Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 18:34:25 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: ./SrxAlPbx2.save/ file Pb.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 5D 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 73 52 15 1502 901 141 Max 74 53 16 1503 914 143 Sum 2645 1885 551 54099 32679 5117 bravais-lattice index = 14 lattice parameter (alat) = 12.1370 a.u. unit-cell volume = 751.0456 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 44.00 number of Kohn-Sham states= 52 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 263.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.136959 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.758889 celldm(5)= -0.758889 celldm(6)= 0.517777 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.517777 0.855515 0.000000 ) a(3) = ( -0.758889 -0.427758 0.491031 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.605223 1.018266 ) b(2) = ( 0.000000 1.168886 1.018266 ) b(3) = ( 0.000000 0.000000 2.036532 ) PseudoPot. # 1 for Pb read from file: /users/gautes/Pseudo/Pb.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 75f9fe62f948a5acf869e43db2c29526 Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1281 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Al read from file: /users/gautes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 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 Sr read from file: /users/gautes/Pseudo/Sr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 971034ad0a3914f6282d12395b0824f8 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1221 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 Pb 14.00 207.20000 Pb( 1.00) Al 3.00 26.98150 Al( 1.00) Sr 10.00 87.62000 Sr( 1.00) 4 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 = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 1 1 1 ) cart. s( 2) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 4) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 325 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030769 k( 2) = ( 0.0000000 0.0000000 0.0203653), wk = 0.0030769 k( 3) = ( 0.0000000 0.0000000 0.0407306), wk = 0.0030769 k( 4) = ( 0.0000000 0.0000000 0.0610960), wk = 0.0030769 k( 5) = ( 0.0000000 0.0000000 0.0814613), wk = 0.0030769 k( 6) = ( 0.0000000 0.0000000 0.1018266), wk = 0.0030769 k( 7) = ( 0.0000000 0.0000000 0.1221919), wk = 0.0030769 k( 8) = ( 0.0000000 0.0000000 0.1425572), wk = 0.0030769 k( 9) = ( 0.0000000 0.0000000 0.1629225), wk = 0.0030769 k( 10) = ( 0.0000000 0.0000000 0.1832879), wk = 0.0030769 k( 11) = ( 0.0000000 0.0000000 0.2036532), wk = 0.0030769 k( 12) = ( 0.0000000 0.0000000 0.2240185), wk = 0.0030769 k( 13) = ( 0.0000000 0.0000000 0.2443838), wk = 0.0030769 k( 14) = ( 0.0000000 0.0000000 0.2647491), wk = 0.0030769 k( 15) = ( 0.0000000 0.0000000 0.2851145), wk = 0.0030769 k( 16) = ( 0.0000000 0.0000000 0.3054798), wk = 0.0030769 k( 17) = ( 0.0000000 0.0000000 0.3258451), wk = 0.0030769 k( 18) = ( 0.0000000 0.0000000 0.3462104), wk = 0.0030769 k( 19) = ( 0.0000000 0.0000000 0.3665757), wk = 0.0030769 k( 20) = ( 0.0000000 0.0000000 0.3869410), wk = 0.0030769 k( 21) = ( 0.0000000 0.0000000 0.4073064), wk = 0.0030769 k( 22) = ( 0.0000000 0.0000000 0.4276717), wk = 0.0030769 k( 23) = ( 0.0000000 0.0000000 0.4480370), wk = 0.0030769 k( 24) = ( 0.0000000 0.0000000 0.4684023), wk = 0.0030769 k( 25) = ( 0.0000000 0.0000000 0.4887676), wk = 0.0030769 k( 26) = ( 0.0000000 0.0000000 0.5091329), wk = 0.0030769 k( 27) = ( 0.0000000 0.0000000 0.5294983), wk = 0.0030769 k( 28) = ( 0.0000000 0.0000000 0.5498636), wk = 0.0030769 k( 29) = ( 0.0000000 0.0000000 0.5702289), wk = 0.0030769 k( 30) = ( 0.0000000 0.0000000 0.5905942), wk = 0.0030769 k( 31) = ( 0.0000000 0.0000000 0.6109595), wk = 0.0030769 k( 32) = ( 0.0000000 0.0000000 0.6313249), wk = 0.0030769 k( 33) = ( 0.0000000 0.0000000 0.6516902), wk = 0.0030769 k( 34) = ( 0.0000000 0.0000000 0.6720555), wk = 0.0030769 k( 35) = ( 0.0000000 0.0000000 0.6924208), wk = 0.0030769 k( 36) = ( 0.0000000 0.0000000 0.7127861), wk = 0.0030769 k( 37) = ( 0.0000000 0.0000000 0.7331514), wk = 0.0030769 k( 38) = ( 0.0000000 0.0000000 0.7535168), wk = 0.0030769 k( 39) = ( 0.0000000 0.0000000 0.7738821), wk = 0.0030769 k( 40) = ( 0.0000000 0.0000000 0.7942474), wk = 0.0030769 k( 41) = ( 0.0000000 0.0000000 0.8146127), wk = 0.0030769 k( 42) = ( 0.0000000 0.0000000 0.8349780), wk = 0.0030769 k( 43) = ( 0.0000000 0.0000000 0.8553434), wk = 0.0030769 k( 44) = ( 0.0000000 0.0000000 0.8757087), wk = 0.0030769 k( 45) = ( 0.0000000 0.0000000 0.8960740), wk = 0.0030769 k( 46) = ( 0.0000000 0.0000000 0.9164393), wk = 0.0030769 k( 47) = ( 0.0000000 0.0000000 0.9368046), wk = 0.0030769 k( 48) = ( 0.0000000 0.0000000 0.9571699), wk = 0.0030769 k( 49) = ( 0.0000000 0.0000000 0.9775353), wk = 0.0030769 k( 50) = ( 0.0000000 0.0000000 0.9979006), wk = 0.0030769 k( 51) = ( 0.0000000 0.0000000 1.0182659), wk = 0.0030769 k( 52) = ( 0.0000000 0.0000000 1.0182659), wk = 0.0030769 k( 53) = ( -0.0099286 0.0176145 1.0182659), wk = 0.0030769 k( 54) = ( -0.0198573 0.0352290 1.0182659), wk = 0.0030769 k( 55) = ( -0.0297859 0.0528434 1.0182659), wk = 0.0030769 k( 56) = ( -0.0397145 0.0704579 1.0182659), wk = 0.0030769 k( 57) = ( -0.0496432 0.0880724 1.0182659), wk = 0.0030769 k( 58) = ( -0.0595718 0.1056869 1.0182659), wk = 0.0030769 k( 59) = ( -0.0695005 0.1233014 1.0182659), wk = 0.0030769 k( 60) = ( -0.0794291 0.1409158 1.0182659), wk = 0.0030769 k( 61) = ( -0.0794291 0.1409158 1.0182659), wk = 0.0030769 k( 62) = ( -0.0864386 0.1533515 1.0039908), wk = 0.0030769 k( 63) = ( -0.0934481 0.1657871 0.9897157), wk = 0.0030769 k( 64) = ( -0.1004576 0.1782228 0.9754406), wk = 0.0030769 k( 65) = ( -0.1074671 0.1906584 0.9611655), wk = 0.0030769 k( 66) = ( -0.1144767 0.2030940 0.9468904), wk = 0.0030769 k( 67) = ( -0.1214862 0.2155297 0.9326153), wk = 0.0030769 k( 68) = ( -0.1284957 0.2279653 0.9183402), wk = 0.0030769 k( 69) = ( -0.1355052 0.2404010 0.9040651), wk = 0.0030769 k( 70) = ( -0.1425147 0.2528366 0.8897900), wk = 0.0030769 k( 71) = ( -0.1495242 0.2652723 0.8755149), wk = 0.0030769 k( 72) = ( -0.1565337 0.2777079 0.8612398), wk = 0.0030769 k( 73) = ( -0.1635433 0.2901435 0.8469647), wk = 0.0030769 k( 74) = ( -0.1705528 0.3025792 0.8326896), wk = 0.0030769 k( 75) = ( -0.1775623 0.3150148 0.8184145), wk = 0.0030769 k( 76) = ( -0.1845718 0.3274505 0.8041394), wk = 0.0030769 k( 77) = ( -0.1915813 0.3398861 0.7898643), wk = 0.0030769 k( 78) = ( -0.1985908 0.3523217 0.7755892), wk = 0.0030769 k( 79) = ( -0.2056004 0.3647574 0.7613141), wk = 0.0030769 k( 80) = ( -0.2126099 0.3771930 0.7470390), wk = 0.0030769 k( 81) = ( -0.2196194 0.3896287 0.7327639), wk = 0.0030769 k( 82) = ( -0.2266289 0.4020643 0.7184888), wk = 0.0030769 k( 83) = ( -0.2336384 0.4145000 0.7042137), wk = 0.0030769 k( 84) = ( -0.2406479 0.4269356 0.6899386), wk = 0.0030769 k( 85) = ( -0.2476575 0.4393712 0.6756635), wk = 0.0030769 k( 86) = ( -0.2546670 0.4518069 0.6613884), wk = 0.0030769 k( 87) = ( -0.2616765 0.4642425 0.6471133), wk = 0.0030769 k( 88) = ( -0.2686860 0.4766782 0.6328382), wk = 0.0030769 k( 89) = ( -0.2756955 0.4891138 0.6185631), wk = 0.0030769 k( 90) = ( -0.2827050 0.5015495 0.6042880), wk = 0.0030769 k( 91) = ( -0.2897145 0.5139851 0.5900129), wk = 0.0030769 k( 92) = ( -0.2897145 0.5139851 0.5900129), wk = 0.0030769 k( 93) = ( -0.2826483 0.5014489 0.5756223), wk = 0.0030769 k( 94) = ( -0.2755821 0.4889126 0.5612317), wk = 0.0030769 k( 95) = ( -0.2685159 0.4763764 0.5468412), wk = 0.0030769 k( 96) = ( -0.2614497 0.4638402 0.5324506), wk = 0.0030769 k( 97) = ( -0.2543835 0.4513040 0.5180601), wk = 0.0030769 k( 98) = ( -0.2473173 0.4387678 0.5036695), wk = 0.0030769 k( 99) = ( -0.2402511 0.4262315 0.4892790), wk = 0.0030769 k( 100) = ( -0.2331849 0.4136953 0.4748884), wk = 0.0030769 k( 101) = ( -0.2261187 0.4011591 0.4604979), wk = 0.0030769 k( 102) = ( -0.2190525 0.3886229 0.4461073), wk = 0.0030769 k( 103) = ( -0.2119862 0.3760867 0.4317167), wk = 0.0030769 k( 104) = ( -0.2049200 0.3635504 0.4173262), wk = 0.0030769 k( 105) = ( -0.1978538 0.3510142 0.4029356), wk = 0.0030769 k( 106) = ( -0.1907876 0.3384780 0.3885451), wk = 0.0030769 k( 107) = ( -0.1837214 0.3259418 0.3741545), wk = 0.0030769 k( 108) = ( -0.1766552 0.3134055 0.3597640), wk = 0.0030769 k( 109) = ( -0.1695890 0.3008693 0.3453734), wk = 0.0030769 k( 110) = ( -0.1625228 0.2883331 0.3309828), wk = 0.0030769 k( 111) = ( -0.1554566 0.2757969 0.3165923), wk = 0.0030769 k( 112) = ( -0.1483904 0.2632606 0.3022017), wk = 0.0030769 k( 113) = ( -0.1413242 0.2507244 0.2878112), wk = 0.0030769 k( 114) = ( -0.1342580 0.2381882 0.2734206), wk = 0.0030769 k( 115) = ( -0.1271917 0.2256520 0.2590300), wk = 0.0030769 k( 116) = ( -0.1201255 0.2131158 0.2446395), wk = 0.0030769 k( 117) = ( -0.1130593 0.2005795 0.2302489), wk = 0.0030769 k( 118) = ( -0.1059931 0.1880433 0.2158584), wk = 0.0030769 k( 119) = ( -0.0989269 0.1755071 0.2014678), wk = 0.0030769 k( 120) = ( -0.0918607 0.1629709 0.1870773), wk = 0.0030769 k( 121) = ( -0.0847945 0.1504347 0.1726867), wk = 0.0030769 k( 122) = ( -0.0777283 0.1378984 0.1582961), wk = 0.0030769 k( 123) = ( -0.0706621 0.1253622 0.1439056), wk = 0.0030769 k( 124) = ( -0.0635959 0.1128260 0.1295150), wk = 0.0030769 k( 125) = ( -0.0565297 0.1002898 0.1151245), wk = 0.0030769 k( 126) = ( -0.0494635 0.0877536 0.1007339), wk = 0.0030769 k( 127) = ( -0.0423972 0.0752173 0.0863433), wk = 0.0030769 k( 128) = ( -0.0353310 0.0626811 0.0719528), wk = 0.0030769 k( 129) = ( -0.0282648 0.0501449 0.0575622), wk = 0.0030769 k( 130) = ( -0.0211986 0.0376087 0.0431717), wk = 0.0030769 k( 131) = ( -0.0141324 0.0250724 0.0287811), wk = 0.0030769 k( 132) = ( -0.0070662 0.0125362 0.0143906), wk = 0.0030769 k( 133) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030769 k( 134) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030769 k( 135) = ( 0.0172414 0.0097183 0.0000000), wk = 0.0030769 k( 136) = ( 0.0344828 0.0194367 0.0000000), wk = 0.0030769 k( 137) = ( 0.0517241 0.0291550 0.0000000), wk = 0.0030769 k( 138) = ( 0.0689655 0.0388733 0.0000000), wk = 0.0030769 k( 139) = ( 0.0862069 0.0485917 0.0000000), wk = 0.0030769 k( 140) = ( 0.1034483 0.0583100 0.0000000), wk = 0.0030769 k( 141) = ( 0.1206897 0.0680283 0.0000000), wk = 0.0030769 k( 142) = ( 0.1379310 0.0777467 0.0000000), wk = 0.0030769 k( 143) = ( 0.1551724 0.0874650 0.0000000), wk = 0.0030769 k( 144) = ( 0.1724138 0.0971833 0.0000000), wk = 0.0030769 k( 145) = ( 0.1896552 0.1069017 0.0000000), wk = 0.0030769 k( 146) = ( 0.2068966 0.1166200 0.0000000), wk = 0.0030769 k( 147) = ( 0.2241379 0.1263383 0.0000000), wk = 0.0030769 k( 148) = ( 0.2413793 0.1360567 0.0000000), wk = 0.0030769 k( 149) = ( 0.2586207 0.1457750 0.0000000), wk = 0.0030769 k( 150) = ( 0.2758621 0.1554933 0.0000000), wk = 0.0030769 k( 151) = ( 0.2931034 0.1652117 0.0000000), wk = 0.0030769 k( 152) = ( 0.3103448 0.1749300 0.0000000), wk = 0.0030769 k( 153) = ( 0.3275862 0.1846483 0.0000000), wk = 0.0030769 k( 154) = ( 0.3448276 0.1943667 0.0000000), wk = 0.0030769 k( 155) = ( 0.3620690 0.2040850 0.0000000), wk = 0.0030769 k( 156) = ( 0.3793103 0.2138033 0.0000000), wk = 0.0030769 k( 157) = ( 0.3965517 0.2235217 0.0000000), wk = 0.0030769 k( 158) = ( 0.4137931 0.2332400 0.0000000), wk = 0.0030769 k( 159) = ( 0.4310345 0.2429583 0.0000000), wk = 0.0030769 k( 160) = ( 0.4482759 0.2526767 0.0000000), wk = 0.0030769 k( 161) = ( 0.4655172 0.2623950 0.0000000), wk = 0.0030769 k( 162) = ( 0.4827586 0.2721133 0.0000000), wk = 0.0030769 k( 163) = ( 0.5000000 0.2818317 0.0000000), wk = 0.0030769 k( 164) = ( 0.5000000 0.2818317 0.0000000), wk = 0.0030769 k( 165) = ( 0.4929905 0.2942673 0.0142751), wk = 0.0030769 k( 166) = ( 0.4859810 0.3067029 0.0285502), wk = 0.0030769 k( 167) = ( 0.4789715 0.3191386 0.0428253), wk = 0.0030769 k( 168) = ( 0.4719619 0.3315742 0.0571004), wk = 0.0030769 k( 169) = ( 0.4649524 0.3440099 0.0713755), wk = 0.0030769 k( 170) = ( 0.4579429 0.3564455 0.0856506), wk = 0.0030769 k( 171) = ( 0.4509334 0.3688812 0.0999257), wk = 0.0030769 k( 172) = ( 0.4439239 0.3813168 0.1142008), wk = 0.0030769 k( 173) = ( 0.4369144 0.3937524 0.1284759), wk = 0.0030769 k( 174) = ( 0.4299049 0.4061881 0.1427510), wk = 0.0030769 k( 175) = ( 0.4228953 0.4186237 0.1570261), wk = 0.0030769 k( 176) = ( 0.4158858 0.4310594 0.1713012), wk = 0.0030769 k( 177) = ( 0.4088763 0.4434950 0.1855763), wk = 0.0030769 k( 178) = ( 0.4018668 0.4559306 0.1998514), wk = 0.0030769 k( 179) = ( 0.3948573 0.4683663 0.2141265), wk = 0.0030769 k( 180) = ( 0.3878478 0.4808019 0.2284016), wk = 0.0030769 k( 181) = ( 0.3808382 0.4932376 0.2426767), wk = 0.0030769 k( 182) = ( 0.3738287 0.5056732 0.2569518), wk = 0.0030769 k( 183) = ( 0.3668192 0.5181089 0.2712269), wk = 0.0030769 k( 184) = ( 0.3598097 0.5305445 0.2855020), wk = 0.0030769 k( 185) = ( 0.3528002 0.5429801 0.2997771), wk = 0.0030769 k( 186) = ( 0.3457907 0.5554158 0.3140522), wk = 0.0030769 k( 187) = ( 0.3387811 0.5678514 0.3283273), wk = 0.0030769 k( 188) = ( 0.3317716 0.5802871 0.3426024), wk = 0.0030769 k( 189) = ( 0.3247621 0.5927227 0.3568775), wk = 0.0030769 k( 190) = ( 0.3177526 0.6051584 0.3711526), wk = 0.0030769 k( 191) = ( 0.3107431 0.6175940 0.3854277), wk = 0.0030769 k( 192) = ( 0.3037336 0.6300296 0.3997028), wk = 0.0030769 k( 193) = ( 0.2967241 0.6424653 0.4139779), wk = 0.0030769 k( 194) = ( 0.2897145 0.6549009 0.4282530), wk = 0.0030769 k( 195) = ( 0.2897145 0.6549009 0.4282530), wk = 0.0030769 k( 196) = ( 0.2716074 0.6504973 0.4333080), wk = 0.0030769 k( 197) = ( 0.2535002 0.6460937 0.4383630), wk = 0.0030769 k( 198) = ( 0.2353931 0.6416901 0.4434180), wk = 0.0030769 k( 199) = ( 0.2172859 0.6372864 0.4484730), wk = 0.0030769 k( 200) = ( 0.1991787 0.6328828 0.4535280), wk = 0.0030769 k( 201) = ( 0.1810716 0.6284792 0.4585830), wk = 0.0030769 k( 202) = ( 0.1629644 0.6240756 0.4636380), wk = 0.0030769 k( 203) = ( 0.1448573 0.6196720 0.4686930), wk = 0.0030769 k( 204) = ( 0.1267501 0.6152683 0.4737480), wk = 0.0030769 k( 205) = ( 0.1086430 0.6108647 0.4788030), wk = 0.0030769 k( 206) = ( 0.0905358 0.6064611 0.4838580), wk = 0.0030769 k( 207) = ( 0.0724286 0.6020575 0.4889130), wk = 0.0030769 k( 208) = ( 0.0543215 0.5976539 0.4939680), wk = 0.0030769 k( 209) = ( 0.0362143 0.5932502 0.4990230), wk = 0.0030769 k( 210) = ( 0.0181072 0.5888466 0.5040780), wk = 0.0030769 k( 211) = ( 0.0000000 0.5844430 0.5091329), wk = 0.0030769 k( 212) = ( 0.0000000 0.5844430 0.5091329), wk = 0.0030769 k( 213) = ( 0.0069444 0.5721228 0.5232755), wk = 0.0030769 k( 214) = ( 0.0138889 0.5598026 0.5374181), wk = 0.0030769 k( 215) = ( 0.0208333 0.5474824 0.5515607), wk = 0.0030769 k( 216) = ( 0.0277778 0.5351622 0.5657033), wk = 0.0030769 k( 217) = ( 0.0347222 0.5228420 0.5798459), wk = 0.0030769 k( 218) = ( 0.0416667 0.5105218 0.5939884), wk = 0.0030769 k( 219) = ( 0.0486111 0.4982016 0.6081310), wk = 0.0030769 k( 220) = ( 0.0555556 0.4858814 0.6222736), wk = 0.0030769 k( 221) = ( 0.0625000 0.4735612 0.6364162), wk = 0.0030769 k( 222) = ( 0.0694444 0.4612410 0.6505588), wk = 0.0030769 k( 223) = ( 0.0763889 0.4489208 0.6647014), wk = 0.0030769 k( 224) = ( 0.0833333 0.4366006 0.6788439), wk = 0.0030769 k( 225) = ( 0.0902778 0.4242804 0.6929865), wk = 0.0030769 k( 226) = ( 0.0972222 0.4119602 0.7071291), wk = 0.0030769 k( 227) = ( 0.1041667 0.3996400 0.7212717), wk = 0.0030769 k( 228) = ( 0.1111111 0.3873198 0.7354143), wk = 0.0030769 k( 229) = ( 0.1180556 0.3749996 0.7495568), wk = 0.0030769 k( 230) = ( 0.1250000 0.3626794 0.7636994), wk = 0.0030769 k( 231) = ( 0.1319444 0.3503592 0.7778420), wk = 0.0030769 k( 232) = ( 0.1388889 0.3380390 0.7919846), wk = 0.0030769 k( 233) = ( 0.1458333 0.3257188 0.8061272), wk = 0.0030769 k( 234) = ( 0.1527778 0.3133986 0.8202698), wk = 0.0030769 k( 235) = ( 0.1597222 0.3010784 0.8344123), wk = 0.0030769 k( 236) = ( 0.1666667 0.2887582 0.8485549), wk = 0.0030769 k( 237) = ( 0.1736111 0.2764380 0.8626975), wk = 0.0030769 k( 238) = ( 0.1805556 0.2641178 0.8768401), wk = 0.0030769 k( 239) = ( 0.1875000 0.2517976 0.8909827), wk = 0.0030769 k( 240) = ( 0.1944444 0.2394774 0.9051252), wk = 0.0030769 k( 241) = ( 0.2013889 0.2271572 0.9192678), wk = 0.0030769 k( 242) = ( 0.2083333 0.2148370 0.9334104), wk = 0.0030769 k( 243) = ( 0.2152778 0.2025168 0.9475530), wk = 0.0030769 k( 244) = ( 0.2222222 0.1901966 0.9616956), wk = 0.0030769 k( 245) = ( 0.2291667 0.1778764 0.9758382), wk = 0.0030769 k( 246) = ( 0.2361111 0.1655562 0.9899807), wk = 0.0030769 k( 247) = ( 0.2430556 0.1532360 1.0041233), wk = 0.0030769 k( 248) = ( 0.2500000 0.1409158 1.0182659), wk = 0.0030769 k( 249) = ( 0.2500000 0.1409158 1.0182659), wk = 0.0030769 k( 250) = ( 0.2647059 0.1492050 1.0087506), wk = 0.0030769 k( 251) = ( 0.2794118 0.1574942 0.9992353), wk = 0.0030769 k( 252) = ( 0.2941177 0.1657833 0.9897201), wk = 0.0030769 k( 253) = ( 0.3088235 0.1740725 0.9802047), wk = 0.0030769 k( 254) = ( 0.3235294 0.1823617 0.9706895), wk = 0.0030769 k( 255) = ( 0.3382353 0.1906508 0.9611742), wk = 0.0030769 k( 256) = ( 0.3529412 0.1989400 0.9516589), wk = 0.0030769 k( 257) = ( 0.3676471 0.2072292 0.9421436), wk = 0.0030769 k( 258) = ( 0.3823529 0.2155183 0.9326283), wk = 0.0030769 k( 259) = ( 0.3970588 0.2238075 0.9231130), wk = 0.0030769 k( 260) = ( 0.4117647 0.2320967 0.9135978), wk = 0.0030769 k( 261) = ( 0.4264706 0.2403858 0.9040825), wk = 0.0030769 k( 262) = ( 0.4411765 0.2486750 0.8945672), wk = 0.0030769 k( 263) = ( 0.4558823 0.2569642 0.8850519), wk = 0.0030769 k( 264) = ( 0.4705882 0.2652533 0.8755366), wk = 0.0030769 k( 265) = ( 0.4852941 0.2735425 0.8660213), wk = 0.0030769 k( 266) = ( 0.5000000 0.2818317 0.8565060), wk = 0.0030769 k( 267) = ( 0.5000000 0.2818317 0.8565060), wk = 0.0030769 k( 268) = ( 0.5000000 0.2818317 0.8361130), wk = 0.0030769 k( 269) = ( 0.5000000 0.2818317 0.8157200), wk = 0.0030769 k( 270) = ( 0.5000000 0.2818317 0.7953270), wk = 0.0030769 k( 271) = ( 0.5000000 0.2818317 0.7749340), wk = 0.0030769 k( 272) = ( 0.5000000 0.2818317 0.7545410), wk = 0.0030769 k( 273) = ( 0.5000000 0.2818317 0.7341480), wk = 0.0030769 k( 274) = ( 0.5000000 0.2818317 0.7137550), wk = 0.0030769 k( 275) = ( 0.5000000 0.2818317 0.6933620), wk = 0.0030769 k( 276) = ( 0.5000000 0.2818317 0.6729690), wk = 0.0030769 k( 277) = ( 0.5000000 0.2818317 0.6525760), wk = 0.0030769 k( 278) = ( 0.5000000 0.2818317 0.6321830), wk = 0.0030769 k( 279) = ( 0.5000000 0.2818317 0.6117900), wk = 0.0030769 k( 280) = ( 0.5000000 0.2818317 0.5913970), wk = 0.0030769 k( 281) = ( 0.5000000 0.2818317 0.5710040), wk = 0.0030769 k( 282) = ( 0.5000000 0.2818317 0.5506110), wk = 0.0030769 k( 283) = ( 0.5000000 0.2818317 0.5302180), wk = 0.0030769 k( 284) = ( 0.5000000 0.2818317 0.5098250), wk = 0.0030769 k( 285) = ( 0.5000000 0.2818317 0.4894320), wk = 0.0030769 k( 286) = ( 0.5000000 0.2818317 0.4690390), wk = 0.0030769 k( 287) = ( 0.5000000 0.2818317 0.4486460), wk = 0.0030769 k( 288) = ( 0.5000000 0.2818317 0.4282530), wk = 0.0030769 k( 289) = ( 0.5000000 0.2818317 0.4078600), wk = 0.0030769 k( 290) = ( 0.5000000 0.2818317 0.3874670), wk = 0.0030769 k( 291) = ( 0.5000000 0.2818317 0.3670740), wk = 0.0030769 k( 292) = ( 0.5000000 0.2818317 0.3466810), wk = 0.0030769 k( 293) = ( 0.5000000 0.2818317 0.3262880), wk = 0.0030769 k( 294) = ( 0.5000000 0.2818317 0.3058950), wk = 0.0030769 k( 295) = ( 0.5000000 0.2818317 0.2855020), wk = 0.0030769 k( 296) = ( 0.5000000 0.2818317 0.2651090), wk = 0.0030769 k( 297) = ( 0.5000000 0.2818317 0.2447160), wk = 0.0030769 k( 298) = ( 0.5000000 0.2818317 0.2243230), wk = 0.0030769 k( 299) = ( 0.5000000 0.2818317 0.2039300), wk = 0.0030769 k( 300) = ( 0.5000000 0.2818317 0.1835370), wk = 0.0030769 k( 301) = ( 0.5000000 0.2818317 0.1631440), wk = 0.0030769 k( 302) = ( 0.5000000 0.2818317 0.1427510), wk = 0.0030769 k( 303) = ( 0.5000000 0.2818317 0.1223580), wk = 0.0030769 k( 304) = ( 0.5000000 0.2818317 0.1019650), wk = 0.0030769 k( 305) = ( 0.5000000 0.2818317 0.0815720), wk = 0.0030769 k( 306) = ( 0.5000000 0.2818317 0.0611790), wk = 0.0030769 k( 307) = ( 0.5000000 0.2818317 0.0407860), wk = 0.0030769 k( 308) = ( 0.5000000 0.2818317 0.0203930), wk = 0.0030769 k( 309) = ( 0.5000000 0.2818317 0.0000000), wk = 0.0030769 k( 310) = ( 0.0000000 0.0000000 1.0182659), wk = 0.0030769 k( 311) = ( 0.0166667 0.0093944 1.0182659), wk = 0.0030769 k( 312) = ( 0.0333333 0.0187888 1.0182659), wk = 0.0030769 k( 313) = ( 0.0500000 0.0281832 1.0182659), wk = 0.0030769 k( 314) = ( 0.0666667 0.0375776 1.0182659), wk = 0.0030769 k( 315) = ( 0.0833333 0.0469719 1.0182659), wk = 0.0030769 k( 316) = ( 0.1000000 0.0563663 1.0182659), wk = 0.0030769 k( 317) = ( 0.1166667 0.0657607 1.0182659), wk = 0.0030769 k( 318) = ( 0.1333333 0.0751551 1.0182659), wk = 0.0030769 k( 319) = ( 0.1500000 0.0845495 1.0182659), wk = 0.0030769 k( 320) = ( 0.1666667 0.0939439 1.0182659), wk = 0.0030769 k( 321) = ( 0.1833333 0.1033383 1.0182659), wk = 0.0030769 k( 322) = ( 0.2000000 0.1127327 1.0182659), wk = 0.0030769 k( 323) = ( 0.2166667 0.1221271 1.0182659), wk = 0.0030769 k( 324) = ( 0.2333333 0.1315214 1.0182659), wk = 0.0030769 k( 325) = ( 0.2500000 0.1409158 1.0182659), wk = 0.0030769 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030769 k( 2) = ( 0.0000000 0.0000000 0.0100000), wk = 0.0030769 k( 3) = ( 0.0000000 0.0000000 0.0200000), wk = 0.0030769 k( 4) = ( 0.0000000 0.0000000 0.0300000), wk = 0.0030769 k( 5) = ( 0.0000000 0.0000000 0.0400000), wk = 0.0030769 k( 6) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0030769 k( 7) = ( 0.0000000 0.0000000 0.0600000), wk = 0.0030769 k( 8) = ( 0.0000000 0.0000000 0.0700000), wk = 0.0030769 k( 9) = ( 0.0000000 0.0000000 0.0800000), wk = 0.0030769 k( 10) = ( 0.0000000 0.0000000 0.0900000), wk = 0.0030769 k( 11) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0030769 k( 12) = ( 0.0000000 0.0000000 0.1100000), wk = 0.0030769 k( 13) = ( 0.0000000 0.0000000 0.1200000), wk = 0.0030769 k( 14) = ( 0.0000000 0.0000000 0.1300000), wk = 0.0030769 k( 15) = ( 0.0000000 0.0000000 0.1400000), wk = 0.0030769 k( 16) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0030769 k( 17) = ( 0.0000000 0.0000000 0.1600000), wk = 0.0030769 k( 18) = ( 0.0000000 0.0000000 0.1700000), wk = 0.0030769 k( 19) = ( 0.0000000 0.0000000 0.1800000), wk = 0.0030769 k( 20) = ( 0.0000000 0.0000000 0.1900000), wk = 0.0030769 k( 21) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0030769 k( 22) = ( 0.0000000 0.0000000 0.2100000), wk = 0.0030769 k( 23) = ( 0.0000000 0.0000000 0.2200000), wk = 0.0030769 k( 24) = ( 0.0000000 0.0000000 0.2300000), wk = 0.0030769 k( 25) = ( 0.0000000 0.0000000 0.2400000), wk = 0.0030769 k( 26) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0030769 k( 27) = ( 0.0000000 0.0000000 0.2600000), wk = 0.0030769 k( 28) = ( 0.0000000 0.0000000 0.2700000), wk = 0.0030769 k( 29) = ( 0.0000000 0.0000000 0.2800000), wk = 0.0030769 k( 30) = ( 0.0000000 0.0000000 0.2900000), wk = 0.0030769 k( 31) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0030769 k( 32) = ( 0.0000000 0.0000000 0.3100000), wk = 0.0030769 k( 33) = ( 0.0000000 0.0000000 0.3200000), wk = 0.0030769 k( 34) = ( 0.0000000 0.0000000 0.3300000), wk = 0.0030769 k( 35) = ( 0.0000000 0.0000000 0.3400000), wk = 0.0030769 k( 36) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0030769 k( 37) = ( 0.0000000 0.0000000 0.3600000), wk = 0.0030769 k( 38) = ( 0.0000000 0.0000000 0.3700000), wk = 0.0030769 k( 39) = ( 0.0000000 0.0000000 0.3800000), wk = 0.0030769 k( 40) = ( 0.0000000 0.0000000 0.3900000), wk = 0.0030769 k( 41) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0030769 k( 42) = ( 0.0000000 0.0000000 0.4100000), wk = 0.0030769 k( 43) = ( 0.0000000 0.0000000 0.4200000), wk = 0.0030769 k( 44) = ( 0.0000000 0.0000000 0.4300000), wk = 0.0030769 k( 45) = ( 0.0000000 0.0000000 0.4400000), wk = 0.0030769 k( 46) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0030769 k( 47) = ( 0.0000000 0.0000000 0.4600000), wk = 0.0030769 k( 48) = ( 0.0000000 0.0000000 0.4700000), wk = 0.0030769 k( 49) = ( 0.0000000 0.0000000 0.4800000), wk = 0.0030769 k( 50) = ( 0.0000000 0.0000000 0.4900000), wk = 0.0030769 k( 51) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030769 k( 52) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030769 k( 53) = ( -0.0099286 0.0099286 0.5000000), wk = 0.0030769 k( 54) = ( -0.0198573 0.0198573 0.5000000), wk = 0.0030769 k( 55) = ( -0.0297859 0.0297859 0.5000000), wk = 0.0030769 k( 56) = ( -0.0397145 0.0397145 0.5000000), wk = 0.0030769 k( 57) = ( -0.0496432 0.0496432 0.5000000), wk = 0.0030769 k( 58) = ( -0.0595718 0.0595718 0.5000000), wk = 0.0030769 k( 59) = ( -0.0695005 0.0695005 0.5000000), wk = 0.0030769 k( 60) = ( -0.0794291 0.0794291 0.5000000), wk = 0.0030769 k( 61) = ( -0.0794291 0.0794291 0.5000000), wk = 0.0030769 k( 62) = ( -0.0864386 0.0864386 0.4929905), wk = 0.0030769 k( 63) = ( -0.0934481 0.0934481 0.4859810), wk = 0.0030769 k( 64) = ( -0.1004576 0.1004576 0.4789715), wk = 0.0030769 k( 65) = ( -0.1074671 0.1074671 0.4719619), wk = 0.0030769 k( 66) = ( -0.1144767 0.1144767 0.4649524), wk = 0.0030769 k( 67) = ( -0.1214862 0.1214862 0.4579429), wk = 0.0030769 k( 68) = ( -0.1284957 0.1284957 0.4509334), wk = 0.0030769 k( 69) = ( -0.1355052 0.1355052 0.4439239), wk = 0.0030769 k( 70) = ( -0.1425147 0.1425147 0.4369144), wk = 0.0030769 k( 71) = ( -0.1495242 0.1495242 0.4299049), wk = 0.0030769 k( 72) = ( -0.1565337 0.1565337 0.4228953), wk = 0.0030769 k( 73) = ( -0.1635433 0.1635433 0.4158858), wk = 0.0030769 k( 74) = ( -0.1705528 0.1705528 0.4088763), wk = 0.0030769 k( 75) = ( -0.1775623 0.1775623 0.4018668), wk = 0.0030769 k( 76) = ( -0.1845718 0.1845718 0.3948573), wk = 0.0030769 k( 77) = ( -0.1915813 0.1915813 0.3878478), wk = 0.0030769 k( 78) = ( -0.1985908 0.1985908 0.3808382), wk = 0.0030769 k( 79) = ( -0.2056004 0.2056004 0.3738287), wk = 0.0030769 k( 80) = ( -0.2126099 0.2126099 0.3668192), wk = 0.0030769 k( 81) = ( -0.2196194 0.2196194 0.3598097), wk = 0.0030769 k( 82) = ( -0.2266289 0.2266289 0.3528002), wk = 0.0030769 k( 83) = ( -0.2336384 0.2336384 0.3457907), wk = 0.0030769 k( 84) = ( -0.2406479 0.2406479 0.3387811), wk = 0.0030769 k( 85) = ( -0.2476575 0.2476575 0.3317716), wk = 0.0030769 k( 86) = ( -0.2546670 0.2546670 0.3247621), wk = 0.0030769 k( 87) = ( -0.2616765 0.2616765 0.3177526), wk = 0.0030769 k( 88) = ( -0.2686860 0.2686860 0.3107431), wk = 0.0030769 k( 89) = ( -0.2756955 0.2756955 0.3037336), wk = 0.0030769 k( 90) = ( -0.2827050 0.2827050 0.2967241), wk = 0.0030769 k( 91) = ( -0.2897145 0.2897145 0.2897145), wk = 0.0030769 k( 92) = ( -0.2897145 0.2897145 0.2897145), wk = 0.0030769 k( 93) = ( -0.2826483 0.2826483 0.2826483), wk = 0.0030769 k( 94) = ( -0.2755821 0.2755821 0.2755821), wk = 0.0030769 k( 95) = ( -0.2685159 0.2685159 0.2685159), wk = 0.0030769 k( 96) = ( -0.2614497 0.2614497 0.2614497), wk = 0.0030769 k( 97) = ( -0.2543835 0.2543835 0.2543835), wk = 0.0030769 k( 98) = ( -0.2473173 0.2473173 0.2473173), wk = 0.0030769 k( 99) = ( -0.2402511 0.2402511 0.2402511), wk = 0.0030769 k( 100) = ( -0.2331849 0.2331849 0.2331849), wk = 0.0030769 k( 101) = ( -0.2261187 0.2261187 0.2261187), wk = 0.0030769 k( 102) = ( -0.2190525 0.2190525 0.2190525), wk = 0.0030769 k( 103) = ( -0.2119862 0.2119862 0.2119862), wk = 0.0030769 k( 104) = ( -0.2049200 0.2049200 0.2049200), wk = 0.0030769 k( 105) = ( -0.1978538 0.1978538 0.1978538), wk = 0.0030769 k( 106) = ( -0.1907876 0.1907876 0.1907876), wk = 0.0030769 k( 107) = ( -0.1837214 0.1837214 0.1837214), wk = 0.0030769 k( 108) = ( -0.1766552 0.1766552 0.1766552), wk = 0.0030769 k( 109) = ( -0.1695890 0.1695890 0.1695890), wk = 0.0030769 k( 110) = ( -0.1625228 0.1625228 0.1625228), wk = 0.0030769 k( 111) = ( -0.1554566 0.1554566 0.1554566), wk = 0.0030769 k( 112) = ( -0.1483904 0.1483904 0.1483904), wk = 0.0030769 k( 113) = ( -0.1413242 0.1413242 0.1413242), wk = 0.0030769 k( 114) = ( -0.1342580 0.1342580 0.1342580), wk = 0.0030769 k( 115) = ( -0.1271917 0.1271917 0.1271918), wk = 0.0030769 k( 116) = ( -0.1201255 0.1201255 0.1201255), wk = 0.0030769 k( 117) = ( -0.1130593 0.1130593 0.1130593), wk = 0.0030769 k( 118) = ( -0.1059931 0.1059931 0.1059931), wk = 0.0030769 k( 119) = ( -0.0989269 0.0989269 0.0989269), wk = 0.0030769 k( 120) = ( -0.0918607 0.0918607 0.0918607), wk = 0.0030769 k( 121) = ( -0.0847945 0.0847945 0.0847945), wk = 0.0030769 k( 122) = ( -0.0777283 0.0777283 0.0777283), wk = 0.0030769 k( 123) = ( -0.0706621 0.0706621 0.0706621), wk = 0.0030769 k( 124) = ( -0.0635959 0.0635959 0.0635959), wk = 0.0030769 k( 125) = ( -0.0565297 0.0565297 0.0565297), wk = 0.0030769 k( 126) = ( -0.0494635 0.0494635 0.0494635), wk = 0.0030769 k( 127) = ( -0.0423972 0.0423973 0.0423972), wk = 0.0030769 k( 128) = ( -0.0353310 0.0353310 0.0353310), wk = 0.0030769 k( 129) = ( -0.0282648 0.0282648 0.0282648), wk = 0.0030769 k( 130) = ( -0.0211986 0.0211986 0.0211986), wk = 0.0030769 k( 131) = ( -0.0141324 0.0141324 0.0141324), wk = 0.0030769 k( 132) = ( -0.0070662 0.0070662 0.0070662), wk = 0.0030769 k( 133) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030769 k( 134) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030769 k( 135) = ( 0.0172414 0.0172414 -0.0172414), wk = 0.0030769 k( 136) = ( 0.0344828 0.0344828 -0.0344828), wk = 0.0030769 k( 137) = ( 0.0517241 0.0517241 -0.0517241), wk = 0.0030769 k( 138) = ( 0.0689655 0.0689655 -0.0689655), wk = 0.0030769 k( 139) = ( 0.0862069 0.0862069 -0.0862069), wk = 0.0030769 k( 140) = ( 0.1034483 0.1034483 -0.1034483), wk = 0.0030769 k( 141) = ( 0.1206897 0.1206897 -0.1206897), wk = 0.0030769 k( 142) = ( 0.1379310 0.1379310 -0.1379310), wk = 0.0030769 k( 143) = ( 0.1551724 0.1551724 -0.1551724), wk = 0.0030769 k( 144) = ( 0.1724138 0.1724138 -0.1724138), wk = 0.0030769 k( 145) = ( 0.1896552 0.1896552 -0.1896552), wk = 0.0030769 k( 146) = ( 0.2068966 0.2068966 -0.2068966), wk = 0.0030769 k( 147) = ( 0.2241379 0.2241379 -0.2241379), wk = 0.0030769 k( 148) = ( 0.2413793 0.2413793 -0.2413793), wk = 0.0030769 k( 149) = ( 0.2586207 0.2586207 -0.2586207), wk = 0.0030769 k( 150) = ( 0.2758621 0.2758621 -0.2758621), wk = 0.0030769 k( 151) = ( 0.2931034 0.2931034 -0.2931034), wk = 0.0030769 k( 152) = ( 0.3103448 0.3103448 -0.3103448), wk = 0.0030769 k( 153) = ( 0.3275862 0.3275862 -0.3275862), wk = 0.0030769 k( 154) = ( 0.3448276 0.3448276 -0.3448276), wk = 0.0030769 k( 155) = ( 0.3620690 0.3620690 -0.3620690), wk = 0.0030769 k( 156) = ( 0.3793103 0.3793103 -0.3793103), wk = 0.0030769 k( 157) = ( 0.3965517 0.3965517 -0.3965517), wk = 0.0030769 k( 158) = ( 0.4137931 0.4137931 -0.4137931), wk = 0.0030769 k( 159) = ( 0.4310345 0.4310345 -0.4310345), wk = 0.0030769 k( 160) = ( 0.4482759 0.4482759 -0.4482759), wk = 0.0030769 k( 161) = ( 0.4655172 0.4655172 -0.4655172), wk = 0.0030769 k( 162) = ( 0.4827586 0.4827586 -0.4827586), wk = 0.0030769 k( 163) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0030769 k( 164) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0030769 k( 165) = ( 0.4929905 0.5070095 -0.4929905), wk = 0.0030769 k( 166) = ( 0.4859810 0.5140190 -0.4859810), wk = 0.0030769 k( 167) = ( 0.4789715 0.5210286 -0.4789715), wk = 0.0030769 k( 168) = ( 0.4719619 0.5280381 -0.4719619), wk = 0.0030769 k( 169) = ( 0.4649524 0.5350476 -0.4649524), wk = 0.0030769 k( 170) = ( 0.4579429 0.5420571 -0.4579429), wk = 0.0030769 k( 171) = ( 0.4509334 0.5490666 -0.4509334), wk = 0.0030769 k( 172) = ( 0.4439239 0.5560761 -0.4439239), wk = 0.0030769 k( 173) = ( 0.4369144 0.5630856 -0.4369144), wk = 0.0030769 k( 174) = ( 0.4299049 0.5700952 -0.4299049), wk = 0.0030769 k( 175) = ( 0.4228953 0.5771047 -0.4228953), wk = 0.0030769 k( 176) = ( 0.4158858 0.5841142 -0.4158858), wk = 0.0030769 k( 177) = ( 0.4088763 0.5911237 -0.4088763), wk = 0.0030769 k( 178) = ( 0.4018668 0.5981332 -0.4018668), wk = 0.0030769 k( 179) = ( 0.3948573 0.6051427 -0.3948573), wk = 0.0030769 k( 180) = ( 0.3878478 0.6121522 -0.3878478), wk = 0.0030769 k( 181) = ( 0.3808382 0.6191618 -0.3808382), wk = 0.0030769 k( 182) = ( 0.3738287 0.6261713 -0.3738287), wk = 0.0030769 k( 183) = ( 0.3668192 0.6331808 -0.3668192), wk = 0.0030769 k( 184) = ( 0.3598097 0.6401903 -0.3598097), wk = 0.0030769 k( 185) = ( 0.3528002 0.6471998 -0.3528002), wk = 0.0030769 k( 186) = ( 0.3457907 0.6542093 -0.3457907), wk = 0.0030769 k( 187) = ( 0.3387811 0.6612189 -0.3387811), wk = 0.0030769 k( 188) = ( 0.3317716 0.6682284 -0.3317716), wk = 0.0030769 k( 189) = ( 0.3247621 0.6752379 -0.3247621), wk = 0.0030769 k( 190) = ( 0.3177526 0.6822474 -0.3177526), wk = 0.0030769 k( 191) = ( 0.3107431 0.6892569 -0.3107431), wk = 0.0030769 k( 192) = ( 0.3037336 0.6962664 -0.3037336), wk = 0.0030769 k( 193) = ( 0.2967241 0.7032759 -0.2967241), wk = 0.0030769 k( 194) = ( 0.2897145 0.7102855 -0.2897145), wk = 0.0030769 k( 195) = ( 0.2897145 0.7102855 -0.2897145), wk = 0.0030769 k( 196) = ( 0.2716074 0.6971426 -0.2716074), wk = 0.0030769 k( 197) = ( 0.2535002 0.6839998 -0.2535002), wk = 0.0030769 k( 198) = ( 0.2353931 0.6708569 -0.2353931), wk = 0.0030769 k( 199) = ( 0.2172859 0.6577141 -0.2172859), wk = 0.0030769 k( 200) = ( 0.1991787 0.6445713 -0.1991788), wk = 0.0030769 k( 201) = ( 0.1810716 0.6314284 -0.1810716), wk = 0.0030769 k( 202) = ( 0.1629644 0.6182856 -0.1629644), wk = 0.0030769 k( 203) = ( 0.1448573 0.6051427 -0.1448573), wk = 0.0030769 k( 204) = ( 0.1267501 0.5919999 -0.1267501), wk = 0.0030769 k( 205) = ( 0.1086430 0.5788571 -0.1086430), wk = 0.0030769 k( 206) = ( 0.0905358 0.5657142 -0.0905358), wk = 0.0030769 k( 207) = ( 0.0724286 0.5525714 -0.0724286), wk = 0.0030769 k( 208) = ( 0.0543215 0.5394285 -0.0543215), wk = 0.0030769 k( 209) = ( 0.0362143 0.5262857 -0.0362143), wk = 0.0030769 k( 210) = ( 0.0181072 0.5131428 -0.0181072), wk = 0.0030769 k( 211) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0030769 k( 212) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0030769 k( 213) = ( 0.0069444 0.4930556 0.0069444), wk = 0.0030769 k( 214) = ( 0.0138889 0.4861111 0.0138889), wk = 0.0030769 k( 215) = ( 0.0208333 0.4791667 0.0208333), wk = 0.0030769 k( 216) = ( 0.0277778 0.4722222 0.0277778), wk = 0.0030769 k( 217) = ( 0.0347222 0.4652778 0.0347222), wk = 0.0030769 k( 218) = ( 0.0416667 0.4583333 0.0416667), wk = 0.0030769 k( 219) = ( 0.0486111 0.4513889 0.0486111), wk = 0.0030769 k( 220) = ( 0.0555556 0.4444444 0.0555556), wk = 0.0030769 k( 221) = ( 0.0625000 0.4375000 0.0625000), wk = 0.0030769 k( 222) = ( 0.0694444 0.4305556 0.0694444), wk = 0.0030769 k( 223) = ( 0.0763889 0.4236111 0.0763889), wk = 0.0030769 k( 224) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0030769 k( 225) = ( 0.0902778 0.4097222 0.0902778), wk = 0.0030769 k( 226) = ( 0.0972222 0.4027778 0.0972222), wk = 0.0030769 k( 227) = ( 0.1041667 0.3958333 0.1041667), wk = 0.0030769 k( 228) = ( 0.1111111 0.3888889 0.1111111), wk = 0.0030769 k( 229) = ( 0.1180556 0.3819444 0.1180556), wk = 0.0030769 k( 230) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0030769 k( 231) = ( 0.1319444 0.3680556 0.1319444), wk = 0.0030769 k( 232) = ( 0.1388889 0.3611111 0.1388889), wk = 0.0030769 k( 233) = ( 0.1458333 0.3541667 0.1458333), wk = 0.0030769 k( 234) = ( 0.1527778 0.3472222 0.1527778), wk = 0.0030769 k( 235) = ( 0.1597222 0.3402778 0.1597222), wk = 0.0030769 k( 236) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0030769 k( 237) = ( 0.1736111 0.3263889 0.1736111), wk = 0.0030769 k( 238) = ( 0.1805556 0.3194444 0.1805556), wk = 0.0030769 k( 239) = ( 0.1875000 0.3125000 0.1875000), wk = 0.0030769 k( 240) = ( 0.1944444 0.3055556 0.1944444), wk = 0.0030769 k( 241) = ( 0.2013889 0.2986111 0.2013889), wk = 0.0030769 k( 242) = ( 0.2083333 0.2916667 0.2083333), wk = 0.0030769 k( 243) = ( 0.2152778 0.2847222 0.2152778), wk = 0.0030769 k( 244) = ( 0.2222222 0.2777778 0.2222222), wk = 0.0030769 k( 245) = ( 0.2291667 0.2708333 0.2291667), wk = 0.0030769 k( 246) = ( 0.2361111 0.2638889 0.2361111), wk = 0.0030769 k( 247) = ( 0.2430556 0.2569444 0.2430556), wk = 0.0030769 k( 248) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0030769 k( 249) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0030769 k( 250) = ( 0.2647059 0.2647059 0.2306218), wk = 0.0030769 k( 251) = ( 0.2794118 0.2794118 0.2112436), wk = 0.0030769 k( 252) = ( 0.2941177 0.2941177 0.1918655), wk = 0.0030769 k( 253) = ( 0.3088235 0.3088235 0.1724873), wk = 0.0030769 k( 254) = ( 0.3235294 0.3235294 0.1531091), wk = 0.0030769 k( 255) = ( 0.3382353 0.3382353 0.1337309), wk = 0.0030769 k( 256) = ( 0.3529412 0.3529412 0.1143527), wk = 0.0030769 k( 257) = ( 0.3676471 0.3676471 0.0949746), wk = 0.0030769 k( 258) = ( 0.3823529 0.3823529 0.0755964), wk = 0.0030769 k( 259) = ( 0.3970588 0.3970588 0.0562182), wk = 0.0030769 k( 260) = ( 0.4117647 0.4117647 0.0368400), wk = 0.0030769 k( 261) = ( 0.4264706 0.4264706 0.0174618), wk = 0.0030769 k( 262) = ( 0.4411765 0.4411765 -0.0019164), wk = 0.0030769 k( 263) = ( 0.4558823 0.4558823 -0.0212945), wk = 0.0030769 k( 264) = ( 0.4705882 0.4705882 -0.0406727), wk = 0.0030769 k( 265) = ( 0.4852941 0.4852941 -0.0600509), wk = 0.0030769 k( 266) = ( 0.5000000 0.5000000 -0.0794291), wk = 0.0030769 k( 267) = ( 0.5000000 0.5000000 -0.0794291), wk = 0.0030769 k( 268) = ( 0.5000000 0.5000000 -0.0894427), wk = 0.0030769 k( 269) = ( 0.5000000 0.5000000 -0.0994563), wk = 0.0030769 k( 270) = ( 0.5000000 0.5000000 -0.1094699), wk = 0.0030769 k( 271) = ( 0.5000000 0.5000000 -0.1194835), wk = 0.0030769 k( 272) = ( 0.5000000 0.5000000 -0.1294970), wk = 0.0030769 k( 273) = ( 0.5000000 0.5000000 -0.1395106), wk = 0.0030769 k( 274) = ( 0.5000000 0.5000000 -0.1495242), wk = 0.0030769 k( 275) = ( 0.5000000 0.5000000 -0.1595378), wk = 0.0030769 k( 276) = ( 0.5000000 0.5000000 -0.1695514), wk = 0.0030769 k( 277) = ( 0.5000000 0.5000000 -0.1795650), wk = 0.0030769 k( 278) = ( 0.5000000 0.5000000 -0.1895786), wk = 0.0030769 k( 279) = ( 0.5000000 0.5000000 -0.1995922), wk = 0.0030769 k( 280) = ( 0.5000000 0.5000000 -0.2096058), wk = 0.0030769 k( 281) = ( 0.5000000 0.5000000 -0.2196194), wk = 0.0030769 k( 282) = ( 0.5000000 0.5000000 -0.2296330), wk = 0.0030769 k( 283) = ( 0.5000000 0.5000000 -0.2396466), wk = 0.0030769 k( 284) = ( 0.5000000 0.5000000 -0.2496602), wk = 0.0030769 k( 285) = ( 0.5000000 0.5000000 -0.2596738), wk = 0.0030769 k( 286) = ( 0.5000000 0.5000000 -0.2696873), wk = 0.0030769 k( 287) = ( 0.5000000 0.5000000 -0.2797010), wk = 0.0030769 k( 288) = ( 0.5000000 0.5000000 -0.2897145), wk = 0.0030769 k( 289) = ( 0.5000000 0.5000000 -0.2997281), wk = 0.0030769 k( 290) = ( 0.5000000 0.5000000 -0.3097417), wk = 0.0030769 k( 291) = ( 0.5000000 0.5000000 -0.3197553), wk = 0.0030769 k( 292) = ( 0.5000000 0.5000000 -0.3297689), wk = 0.0030769 k( 293) = ( 0.5000000 0.5000000 -0.3397825), wk = 0.0030769 k( 294) = ( 0.5000000 0.5000000 -0.3497961), wk = 0.0030769 k( 295) = ( 0.5000000 0.5000000 -0.3598097), wk = 0.0030769 k( 296) = ( 0.5000000 0.5000000 -0.3698233), wk = 0.0030769 k( 297) = ( 0.5000000 0.5000000 -0.3798369), wk = 0.0030769 k( 298) = ( 0.5000000 0.5000000 -0.3898505), wk = 0.0030769 k( 299) = ( 0.5000000 0.5000000 -0.3998641), wk = 0.0030769 k( 300) = ( 0.5000000 0.5000000 -0.4098777), wk = 0.0030769 k( 301) = ( 0.5000000 0.5000000 -0.4198912), wk = 0.0030769 k( 302) = ( 0.5000000 0.5000000 -0.4299049), wk = 0.0030769 k( 303) = ( 0.5000000 0.5000000 -0.4399184), wk = 0.0030769 k( 304) = ( 0.5000000 0.5000000 -0.4499320), wk = 0.0030769 k( 305) = ( 0.5000000 0.5000000 -0.4599456), wk = 0.0030769 k( 306) = ( 0.5000000 0.5000000 -0.4699592), wk = 0.0030769 k( 307) = ( 0.5000000 0.5000000 -0.4799728), wk = 0.0030769 k( 308) = ( 0.5000000 0.5000000 -0.4899864), wk = 0.0030769 k( 309) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0030769 k( 310) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030769 k( 311) = ( 0.0166667 0.0166667 0.4833333), wk = 0.0030769 k( 312) = ( 0.0333333 0.0333333 0.4666667), wk = 0.0030769 k( 313) = ( 0.0500000 0.0500000 0.4500000), wk = 0.0030769 k( 314) = ( 0.0666667 0.0666667 0.4333333), wk = 0.0030769 k( 315) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0030769 k( 316) = ( 0.1000000 0.1000000 0.4000000), wk = 0.0030769 k( 317) = ( 0.1166667 0.1166667 0.3833333), wk = 0.0030769 k( 318) = ( 0.1333333 0.1333333 0.3666667), wk = 0.0030769 k( 319) = ( 0.1500000 0.1500000 0.3500000), wk = 0.0030769 k( 320) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0030769 k( 321) = ( 0.1833333 0.1833333 0.3166667), wk = 0.0030769 k( 322) = ( 0.2000000 0.2000000 0.3000000), wk = 0.0030769 k( 323) = ( 0.2166667 0.2166667 0.2833333), wk = 0.0030769 k( 324) = ( 0.2333333 0.2333333 0.2666667), wk = 0.0030769 k( 325) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0030769 Dense grid: 54099 G-vectors FFT dimensions: ( 64, 64, 64) Smooth grid: 32679 G-vectors FFT dimensions: ( 54, 54, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.19 Mb ( 242, 52) NL pseudopotentials 0.31 Mb ( 121, 170) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.01 Mb ( 1503) G-vector shells 0.01 Mb ( 685) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.77 Mb ( 242, 208) Each subspace H/S matrix 0.04 Mb ( 52, 52) Each matrix 0.27 Mb ( 170, 2, 52) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./SrxAlPbx2.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.9 secs Computing kpt #: 2 total cpu time spent up to now is 4.7 secs Computing kpt #: 3 total cpu time spent up to now is 5.5 secs Computing kpt #: 4 total cpu time spent up to now is 6.2 secs Computing kpt #: 5 total cpu time spent up to now is 10.7 secs Computing kpt #: 6 total cpu time spent up to now is 11.5 secs Computing kpt #: 7 total cpu time spent up to now is 12.2 secs Computing kpt #: 8 total cpu time spent up to now is 12.9 secs Computing kpt #: 9 total cpu time spent up to now is 13.5 secs Computing kpt #: 10 total cpu time spent up to now is 14.2 secs Computing kpt #: 11 total cpu time spent up to now is 14.8 secs Computing kpt #: 12 total cpu time spent up to now is 15.4 secs Computing kpt #: 13 total cpu time spent up to now is 16.1 secs Computing kpt #: 14 total cpu time spent up to now is 16.7 secs Computing kpt #: 15 total cpu time spent up to now is 17.4 secs Computing kpt #: 16 total cpu time spent up to now is 18.0 secs Computing kpt #: 17 total cpu time spent up to now is 18.7 secs Computing kpt #: 18 total cpu time spent up to now is 19.3 secs Computing kpt #: 19 total cpu time spent up to now is 20.0 secs Computing kpt #: 20 total cpu time spent up to now is 20.6 secs Computing kpt #: 21 total cpu time spent up to now is 21.3 secs Computing kpt #: 22 total cpu time spent up to now is 22.0 secs Computing kpt #: 23 total cpu time spent up to now is 22.7 secs Computing kpt #: 24 total cpu time spent up to now is 23.3 secs Computing kpt #: 25 total cpu time spent up to now is 24.0 secs Computing kpt #: 26 total cpu time spent up to now is 24.7 secs Computing kpt #: 27 total cpu time spent up to now is 25.4 secs Computing kpt #: 28 total cpu time spent up to now is 26.0 secs Computing kpt #: 29 total cpu time spent up to now is 26.7 secs Computing kpt #: 30 total cpu time spent up to now is 27.4 secs Computing kpt #: 31 total cpu time spent up to now is 28.0 secs Computing kpt #: 32 total cpu time spent up to now is 28.7 secs Computing kpt #: 33 total cpu time spent up to now is 29.4 secs Computing kpt #: 34 total cpu time spent up to now is 30.1 secs Computing kpt #: 35 total cpu time spent up to now is 30.8 secs Computing kpt #: 36 total cpu time spent up to now is 31.6 secs Computing kpt #: 37 total cpu time spent up to now is 32.3 secs Computing kpt #: 38 total cpu time spent up to now is 33.1 secs Computing kpt #: 39 total cpu time spent up to now is 33.9 secs Computing kpt #: 40 total cpu time spent up to now is 34.6 secs Computing kpt #: 41 total cpu time spent up to now is 35.4 secs Computing kpt #: 42 total cpu time spent up to now is 36.2 secs Computing kpt #: 43 total cpu time spent up to now is 37.0 secs Computing kpt #: 44 total cpu time spent up to now is 38.0 secs Computing kpt #: 45 total cpu time spent up to now is 38.8 secs Computing kpt #: 46 total cpu time spent up to now is 39.5 secs Computing kpt #: 47 total cpu time spent up to now is 40.3 secs Computing kpt #: 48 total cpu time spent up to now is 41.0 secs Computing kpt #: 49 total cpu time spent up to now is 41.8 secs Computing kpt #: 50 total cpu time spent up to now is 42.5 secs Computing kpt #: 51 total cpu time spent up to now is 43.2 secs Computing kpt #: 52 total cpu time spent up to now is 44.0 secs Computing kpt #: 53 total cpu time spent up to now is 44.7 secs Computing kpt #: 54 total cpu time spent up to now is 45.4 secs Computing kpt #: 55 total cpu time spent up to now is 46.1 secs Computing kpt #: 56 total cpu time spent up to now is 46.8 secs Computing kpt #: 57 total cpu time spent up to now is 47.5 secs Computing kpt #: 58 total cpu time spent up to now is 48.2 secs Computing kpt #: 59 total cpu time spent up to now is 48.9 secs Computing kpt #: 60 total cpu time spent up to now is 49.7 secs Computing kpt #: 61 total cpu time spent up to now is 50.4 secs Computing kpt #: 62 total cpu time spent up to now is 51.2 secs Computing kpt #: 63 total cpu time spent up to now is 51.9 secs Computing kpt #: 64 total cpu time spent up to now is 52.5 secs Computing kpt #: 65 total cpu time spent up to now is 53.2 secs Computing kpt #: 66 total cpu time spent up to now is 53.9 secs Computing kpt #: 67 total cpu time spent up to now is 54.5 secs Computing kpt #: 68 total cpu time spent up to now is 55.2 secs Computing kpt #: 69 total cpu time spent up to now is 55.9 secs Computing kpt #: 70 total cpu time spent up to now is 56.5 secs Computing kpt #: 71 total cpu time spent up to now is 57.2 secs Computing kpt #: 72 total cpu time spent up to now is 57.9 secs Computing kpt #: 73 total cpu time spent up to now is 58.6 secs Computing kpt #: 74 total cpu time spent up to now is 59.2 secs Computing kpt #: 75 total cpu time spent up to now is 59.9 secs Computing kpt #: 76 total cpu time spent up to now is 60.6 secs Computing kpt #: 77 total cpu time spent up to now is 61.2 secs Computing kpt #: 78 total cpu time spent up to now is 61.9 secs Computing kpt #: 79 total cpu time spent up to now is 62.5 secs Computing kpt #: 80 total cpu time spent up to now is 63.1 secs Computing kpt #: 81 total cpu time spent up to now is 63.8 secs Computing kpt #: 82 total cpu time spent up to now is 64.4 secs Computing kpt #: 83 total cpu time spent up to now is 65.0 secs Computing kpt #: 84 total cpu time spent up to now is 65.6 secs Computing kpt #: 85 total cpu time spent up to now is 66.2 secs Computing kpt #: 86 total cpu time spent up to now is 66.9 secs Computing kpt #: 87 total cpu time spent up to now is 67.5 secs Computing kpt #: 88 total cpu time spent up to now is 68.1 secs Computing kpt #: 89 total cpu time spent up to now is 68.8 secs Computing kpt #: 90 total cpu time spent up to now is 69.4 secs Computing kpt #: 91 total cpu time spent up to now is 70.1 secs Computing kpt #: 92 total cpu time spent up to now is 70.7 secs Computing kpt #: 93 total cpu time spent up to now is 71.4 secs Computing kpt #: 94 total cpu time spent up to now is 72.0 secs Computing kpt #: 95 total cpu time spent up to now is 72.7 secs Computing kpt #: 96 total cpu time spent up to now is 73.3 secs Computing kpt #: 97 total cpu time spent up to now is 73.9 secs Computing kpt #: 98 total cpu time spent up to now is 74.5 secs Computing kpt #: 99 total cpu time spent up to now is 75.1 secs Computing kpt #: 100 total cpu time spent up to now is 75.8 secs Computing kpt #: 101 total cpu time spent up to now is 76.4 secs Computing kpt #: 102 total cpu time spent up to now is 77.0 secs Computing kpt #: 103 total cpu time spent up to now is 77.7 secs Computing kpt #: 104 total cpu time spent up to now is 78.4 secs Computing kpt #: 105 total cpu time spent up to now is 79.0 secs Computing kpt #: 106 total cpu time spent up to now is 79.7 secs Computing kpt #: 107 total cpu time spent up to now is 80.3 secs Computing kpt #: 108 total cpu time spent up to now is 81.0 secs Computing kpt #: 109 total cpu time spent up to now is 81.6 secs Computing kpt #: 110 total cpu time spent up to now is 82.3 secs Computing kpt #: 111 total cpu time spent up to now is 83.0 secs Computing kpt #: 112 total cpu time spent up to now is 83.7 secs Computing kpt #: 113 total cpu time spent up to now is 84.3 secs Computing kpt #: 114 total cpu time spent up to now is 85.0 secs Computing kpt #: 115 total cpu time spent up to now is 85.7 secs Computing kpt #: 116 total cpu time spent up to now is 86.5 secs Computing kpt #: 117 total cpu time spent up to now is 87.1 secs Computing kpt #: 118 total cpu time spent up to now is 87.9 secs Computing kpt #: 119 total cpu time spent up to now is 88.6 secs Computing kpt #: 120 total cpu time spent up to now is 89.2 secs Computing kpt #: 121 total cpu time spent up to now is 89.9 secs Computing kpt #: 122 total cpu time spent up to now is 90.7 secs Computing kpt #: 123 total cpu time spent up to now is 91.4 secs Computing kpt #: 124 total cpu time spent up to now is 92.2 secs Computing kpt #: 125 total cpu time spent up to now is 92.9 secs Computing kpt #: 126 total cpu time spent up to now is 93.7 secs Computing kpt #: 127 total cpu time spent up to now is 94.4 secs Computing kpt #: 128 total cpu time spent up to now is 95.2 secs Computing kpt #: 129 total cpu time spent up to now is 95.9 secs Computing kpt #: 130 total cpu time spent up to now is 96.7 secs Computing kpt #: 131 total cpu time spent up to now is 97.4 secs Computing kpt #: 132 total cpu time spent up to now is 98.2 secs Computing kpt #: 133 total cpu time spent up to now is 98.9 secs Computing kpt #: 134 total cpu time spent up to now is 99.7 secs Computing kpt #: 135 total cpu time spent up to now is 100.4 secs Computing kpt #: 136 total cpu time spent up to now is 101.2 secs Computing kpt #: 137 total cpu time spent up to now is 101.9 secs Computing kpt #: 138 total cpu time spent up to now is 102.7 secs Computing kpt #: 139 total cpu time spent up to now is 103.4 secs Computing kpt #: 140 total cpu time spent up to now is 104.2 secs Computing kpt #: 141 total cpu time spent up to now is 105.0 secs Computing kpt #: 142 total cpu time spent up to now is 105.7 secs Computing kpt #: 143 total cpu time spent up to now is 106.5 secs Computing kpt #: 144 total cpu time spent up to now is 107.3 secs Computing kpt #: 145 total cpu time spent up to now is 108.2 secs Computing kpt #: 146 total cpu time spent up to now is 109.0 secs Computing kpt #: 147 total cpu time spent up to now is 109.8 secs Computing kpt #: 148 total cpu time spent up to now is 110.6 secs Computing kpt #: 149 total cpu time spent up to now is 111.3 secs Computing kpt #: 150 total cpu time spent up to now is 111.9 secs Computing kpt #: 151 total cpu time spent up to now is 112.6 secs Computing kpt #: 152 total cpu time spent up to now is 113.3 secs Computing kpt #: 153 total cpu time spent up to now is 114.1 secs Computing kpt #: 154 total cpu time spent up to now is 114.9 secs Computing kpt #: 155 total cpu time spent up to now is 115.7 secs Computing kpt #: 156 total cpu time spent up to now is 116.3 secs Computing kpt #: 157 total cpu time spent up to now is 117.0 secs Computing kpt #: 158 total cpu time spent up to now is 117.6 secs Computing kpt #: 159 total cpu time spent up to now is 118.3 secs Computing kpt #: 160 total cpu time spent up to now is 118.9 secs Computing kpt #: 161 total cpu time spent up to now is 119.5 secs Computing kpt #: 162 total cpu time spent up to now is 120.1 secs Computing kpt #: 163 total cpu time spent up to now is 120.7 secs Computing kpt #: 164 total cpu time spent up to now is 121.3 secs Computing kpt #: 165 total cpu time spent up to now is 121.9 secs Computing kpt #: 166 total cpu time spent up to now is 122.5 secs Computing kpt #: 167 total cpu time spent up to now is 123.2 secs Computing kpt #: 168 total cpu time spent up to now is 123.8 secs Computing kpt #: 169 total cpu time spent up to now is 124.4 secs Computing kpt #: 170 total cpu time spent up to now is 125.1 secs Computing kpt #: 171 total cpu time spent up to now is 125.8 secs Computing kpt #: 172 total cpu time spent up to now is 126.4 secs Computing kpt #: 173 total cpu time spent up to now is 127.1 secs Computing kpt #: 174 total cpu time spent up to now is 127.7 secs Computing kpt #: 175 total cpu time spent up to now is 128.4 secs Computing kpt #: 176 total cpu time spent up to now is 129.1 secs Computing kpt #: 177 total cpu time spent up to now is 129.7 secs Computing kpt #: 178 total cpu time spent up to now is 130.4 secs Computing kpt #: 179 total cpu time spent up to now is 131.0 secs Computing kpt #: 180 total cpu time spent up to now is 131.7 secs Computing kpt #: 181 total cpu time spent up to now is 132.3 secs Computing kpt #: 182 total cpu time spent up to now is 132.9 secs Computing kpt #: 183 total cpu time spent up to now is 133.6 secs Computing kpt #: 184 total cpu time spent up to now is 134.3 secs Computing kpt #: 185 total cpu time spent up to now is 134.9 secs Computing kpt #: 186 total cpu time spent up to now is 135.6 secs Computing kpt #: 187 total cpu time spent up to now is 136.3 secs Computing kpt #: 188 total cpu time spent up to now is 137.0 secs Computing kpt #: 189 total cpu time spent up to now is 137.6 secs Computing kpt #: 190 total cpu time spent up to now is 138.3 secs Computing kpt #: 191 total cpu time spent up to now is 139.0 secs Computing kpt #: 192 total cpu time spent up to now is 139.7 secs Computing kpt #: 193 total cpu time spent up to now is 140.3 secs Computing kpt #: 194 total cpu time spent up to now is 141.0 secs Computing kpt #: 195 total cpu time spent up to now is 141.7 secs Computing kpt #: 196 total cpu time spent up to now is 142.3 secs Computing kpt #: 197 total cpu time spent up to now is 143.0 secs Computing kpt #: 198 total cpu time spent up to now is 143.6 secs Computing kpt #: 199 total cpu time spent up to now is 144.3 secs Computing kpt #: 200 total cpu time spent up to now is 144.9 secs Computing kpt #: 201 total cpu time spent up to now is 145.5 secs Computing kpt #: 202 total cpu time spent up to now is 146.2 secs Computing kpt #: 203 total cpu time spent up to now is 146.8 secs Computing kpt #: 204 total cpu time spent up to now is 147.5 secs Computing kpt #: 205 total cpu time spent up to now is 148.2 secs Computing kpt #: 206 total cpu time spent up to now is 148.8 secs Computing kpt #: 207 total cpu time spent up to now is 149.6 secs Computing kpt #: 208 total cpu time spent up to now is 150.3 secs Computing kpt #: 209 total cpu time spent up to now is 151.0 secs Computing kpt #: 210 total cpu time spent up to now is 151.7 secs Computing kpt #: 211 total cpu time spent up to now is 152.6 secs Computing kpt #: 212 total cpu time spent up to now is 153.3 secs Computing kpt #: 213 total cpu time spent up to now is 154.0 secs Computing kpt #: 214 total cpu time spent up to now is 154.7 secs Computing kpt #: 215 total cpu time spent up to now is 155.4 secs Computing kpt #: 216 total cpu time spent up to now is 156.0 secs Computing kpt #: 217 total cpu time spent up to now is 156.7 secs Computing kpt #: 218 total cpu time spent up to now is 157.3 secs Computing kpt #: 219 total cpu time spent up to now is 157.9 secs Computing kpt #: 220 total cpu time spent up to now is 158.6 secs Computing kpt #: 221 total cpu time spent up to now is 159.2 secs Computing kpt #: 222 total cpu time spent up to now is 159.8 secs Computing kpt #: 223 total cpu time spent up to now is 160.4 secs Computing kpt #: 224 total cpu time spent up to now is 161.0 secs Computing kpt #: 225 total cpu time spent up to now is 161.6 secs Computing kpt #: 226 total cpu time spent up to now is 162.3 secs Computing kpt #: 227 total cpu time spent up to now is 162.9 secs Computing kpt #: 228 total cpu time spent up to now is 163.5 secs Computing kpt #: 229 total cpu time spent up to now is 164.1 secs Computing kpt #: 230 total cpu time spent up to now is 164.8 secs Computing kpt #: 231 total cpu time spent up to now is 165.4 secs Computing kpt #: 232 total cpu time spent up to now is 166.0 secs Computing kpt #: 233 total cpu time spent up to now is 166.7 secs Computing kpt #: 234 total cpu time spent up to now is 167.4 secs Computing kpt #: 235 total cpu time spent up to now is 168.1 secs Computing kpt #: 236 total cpu time spent up to now is 168.9 secs Computing kpt #: 237 total cpu time spent up to now is 169.6 secs Computing kpt #: 238 total cpu time spent up to now is 170.4 secs Computing kpt #: 239 total cpu time spent up to now is 171.1 secs Computing kpt #: 240 total cpu time spent up to now is 171.8 secs Computing kpt #: 241 total cpu time spent up to now is 172.5 secs Computing kpt #: 242 total cpu time spent up to now is 173.4 secs Computing kpt #: 243 total cpu time spent up to now is 174.0 secs Computing kpt #: 244 total cpu time spent up to now is 174.7 secs Computing kpt #: 245 total cpu time spent up to now is 175.3 secs Computing kpt #: 246 total cpu time spent up to now is 175.9 secs Computing kpt #: 247 total cpu time spent up to now is 176.5 secs Computing kpt #: 248 total cpu time spent up to now is 177.2 secs Computing kpt #: 249 total cpu time spent up to now is 177.8 secs Computing kpt #: 250 total cpu time spent up to now is 178.4 secs Computing kpt #: 251 total cpu time spent up to now is 179.0 secs Computing kpt #: 252 total cpu time spent up to now is 179.7 secs Computing kpt #: 253 total cpu time spent up to now is 180.3 secs Computing kpt #: 254 total cpu time spent up to now is 180.9 secs Computing kpt #: 255 total cpu time spent up to now is 181.6 secs Computing kpt #: 256 total cpu time spent up to now is 182.2 secs Computing kpt #: 257 total cpu time spent up to now is 182.9 secs Computing kpt #: 258 total cpu time spent up to now is 183.6 secs Computing kpt #: 259 total cpu time spent up to now is 184.4 secs Computing kpt #: 260 total cpu time spent up to now is 185.1 secs Computing kpt #: 261 total cpu time spent up to now is 185.9 secs Computing kpt #: 262 total cpu time spent up to now is 186.6 secs Computing kpt #: 263 total cpu time spent up to now is 187.4 secs Computing kpt #: 264 total cpu time spent up to now is 188.1 secs Computing kpt #: 265 total cpu time spent up to now is 188.8 secs Computing kpt #: 266 total cpu time spent up to now is 189.5 secs Computing kpt #: 267 total cpu time spent up to now is 190.3 secs Computing kpt #: 268 total cpu time spent up to now is 191.0 secs Computing kpt #: 269 total cpu time spent up to now is 191.8 secs Computing kpt #: 270 total cpu time spent up to now is 192.5 secs Computing kpt #: 271 total cpu time spent up to now is 193.3 secs Computing kpt #: 272 total cpu time spent up to now is 194.1 secs Computing kpt #: 273 total cpu time spent up to now is 194.8 secs Computing kpt #: 274 total cpu time spent up to now is 195.6 secs Computing kpt #: 275 total cpu time spent up to now is 196.3 secs Computing kpt #: 276 total cpu time spent up to now is 197.0 secs Computing kpt #: 277 total cpu time spent up to now is 197.8 secs Computing kpt #: 278 total cpu time spent up to now is 198.6 secs Computing kpt #: 279 total cpu time spent up to now is 199.2 secs Computing kpt #: 280 total cpu time spent up to now is 199.9 secs Computing kpt #: 281 total cpu time spent up to now is 200.5 secs Computing kpt #: 282 total cpu time spent up to now is 201.2 secs Computing kpt #: 283 total cpu time spent up to now is 201.8 secs Computing kpt #: 284 total cpu time spent up to now is 202.4 secs Computing kpt #: 285 total cpu time spent up to now is 203.1 secs Computing kpt #: 286 total cpu time spent up to now is 203.7 secs Computing kpt #: 287 total cpu time spent up to now is 204.3 secs Computing kpt #: 288 total cpu time spent up to now is 205.0 secs Computing kpt #: 289 total cpu time spent up to now is 205.6 secs Computing kpt #: 290 total cpu time spent up to now is 206.2 secs Computing kpt #: 291 total cpu time spent up to now is 206.9 secs Computing kpt #: 292 total cpu time spent up to now is 207.5 secs Computing kpt #: 293 total cpu time spent up to now is 208.2 secs Computing kpt #: 294 total cpu time spent up to now is 208.9 secs Computing kpt #: 295 total cpu time spent up to now is 209.5 secs Computing kpt #: 296 total cpu time spent up to now is 210.2 secs Computing kpt #: 297 total cpu time spent up to now is 210.9 secs Computing kpt #: 298 total cpu time spent up to now is 211.6 secs Computing kpt #: 299 total cpu time spent up to now is 212.2 secs Computing kpt #: 300 total cpu time spent up to now is 212.9 secs Computing kpt #: 301 total cpu time spent up to now is 213.6 secs Computing kpt #: 302 total cpu time spent up to now is 214.3 secs Computing kpt #: 303 total cpu time spent up to now is 215.0 secs Computing kpt #: 304 total cpu time spent up to now is 215.6 secs Computing kpt #: 305 total cpu time spent up to now is 216.3 secs Computing kpt #: 306 total cpu time spent up to now is 216.9 secs Computing kpt #: 307 total cpu time spent up to now is 217.5 secs Computing kpt #: 308 total cpu time spent up to now is 218.1 secs Computing kpt #: 309 total cpu time spent up to now is 218.8 secs Computing kpt #: 310 total cpu time spent up to now is 219.5 secs Computing kpt #: 311 total cpu time spent up to now is 220.2 secs Computing kpt #: 312 total cpu time spent up to now is 221.0 secs Computing kpt #: 313 total cpu time spent up to now is 221.7 secs Computing kpt #: 314 total cpu time spent up to now is 222.4 secs Computing kpt #: 315 total cpu time spent up to now is 223.2 secs Computing kpt #: 316 total cpu time spent up to now is 223.9 secs Computing kpt #: 317 total cpu time spent up to now is 224.6 secs Computing kpt #: 318 total cpu time spent up to now is 225.3 secs Computing kpt #: 319 total cpu time spent up to now is 225.9 secs Computing kpt #: 320 total cpu time spent up to now is 226.6 secs Computing kpt #: 321 total cpu time spent up to now is 227.2 secs Computing kpt #: 322 total cpu time spent up to now is 228.1 secs Computing kpt #: 323 total cpu time spent up to now is 228.7 secs Computing kpt #: 324 total cpu time spent up to now is 229.4 secs Computing kpt #: 325 total cpu time spent up to now is 230.0 secs ethr = 2.27E-08, avg # of iterations = 19.7 total cpu time spent up to now is 230.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4095 PWs) bands (ev): -23.9276 -23.9276 -6.9549 -6.9549 -6.8739 -6.8739 -6.8017 -6.8017 -6.7690 -6.7690 -6.7537 -6.7537 -5.6779 -5.6779 -5.6243 -5.6243 -4.5327 -4.5327 -4.4240 -4.4240 -4.2836 -4.2836 -4.2103 -4.2103 -4.1751 -4.1751 -4.0884 -4.0884 -0.4867 -0.4867 3.3886 3.3886 5.6011 5.6011 8.4069 8.4069 8.9295 8.9295 10.1257 10.1257 10.2601 10.2601 11.5113 11.5113 11.5841 11.5841 11.7445 11.7445 13.5834 13.5834 15.2214 15.2214 k = 0.0000 0.0000 0.0204 ( 4087 PWs) bands (ev): -23.9275 -23.9275 -6.9549 -6.9549 -6.8739 -6.8739 -6.8017 -6.8017 -6.7693 -6.7693 -6.7534 -6.7534 -5.6780 -5.6780 -5.6243 -5.6243 -4.5327 -4.5327 -4.4241 -4.4241 -4.2835 -4.2835 -4.2103 -4.2103 -4.1750 -4.1750 -4.0884 -4.0884 -0.4852 -0.4852 3.3880 3.3880 5.6020 5.6020 8.4013 8.4013 8.9213 8.9213 10.1178 10.1178 10.2753 10.2753 11.4530 11.4530 11.6370 11.6370 11.7511 11.7511 13.5970 13.5970 15.2235 15.2235 k = 0.0000 0.0000 0.0407 ( 4079 PWs) bands (ev): -23.9275 -23.9275 -6.9549 -6.9549 -6.8739 -6.8739 -6.8016 -6.8016 -6.7701 -6.7701 -6.7527 -6.7527 -5.6782 -5.6782 -5.6246 -5.6246 -4.5327 -4.5327 -4.4244 -4.4244 -4.2832 -4.2832 -4.2102 -4.2102 -4.1749 -4.1749 -4.0885 -4.0885 -0.4807 -0.4807 3.3862 3.3862 5.6046 5.6046 8.3841 8.3841 8.8987 8.8987 10.0948 10.0948 10.3195 10.3195 11.3645 11.3645 11.6995 11.6995 11.7812 11.7812 13.6364 13.6364 15.2299 15.2299 k = 0.0000 0.0000 0.0611 ( 4087 PWs) bands (ev): -23.9275 -23.9275 -6.9549 -6.9549 -6.8739 -6.8739 -6.8016 -6.8016 -6.7714 -6.7714 -6.7517 -6.7517 -5.6786 -5.6786 -5.6250 -5.6250 -4.5327 -4.5327 -4.4248 -4.4248 -4.2827 -4.2827 -4.2102 -4.2102 -4.1746 -4.1746 -4.0886 -4.0886 -0.4731 -0.4731 3.3831 3.3831 5.6089 5.6089 8.3549 8.3549 8.8658 8.8658 10.0578 10.0578 10.3889 10.3889 11.2679 11.2679 11.7349 11.7349 11.8509 11.8509 13.6982 13.6982 15.2399 15.2399 k = 0.0000 0.0000 0.0815 ( 4083 PWs) bands (ev): -23.9274 -23.9274 -6.9549 -6.9549 -6.8740 -6.8740 -6.8015 -6.8015 -6.7729 -6.7729 -6.7504 -6.7504 -5.6791 -5.6791 -5.6256 -5.6256 -4.5327 -4.5327 -4.4254 -4.4254 -4.2820 -4.2820 -4.2101 -4.2101 -4.1743 -4.1743 -4.0887 -4.0887 -0.4625 -0.4625 3.3789 3.3789 5.6147 5.6147 8.3130 8.3130 8.8281 8.8281 10.0085 10.0085 10.4788 10.4788 11.1648 11.1648 11.7624 11.7624 11.9419 11.9419 13.7772 13.7772 15.2527 15.2527 k = 0.0000 0.0000 0.1018 ( 4093 PWs) bands (ev): -23.9274 -23.9274 -6.9550 -6.9550 -6.8740 -6.8740 -6.8015 -6.8015 -6.7746 -6.7746 -6.7491 -6.7491 -5.6798 -5.6798 -5.6263 -5.6263 -4.5326 -4.5326 -4.4261 -4.4261 -4.2811 -4.2811 -4.2100 -4.2100 -4.1739 -4.1739 -4.0889 -4.0889 -0.4489 -0.4489 3.3736 3.3736 5.6220 5.6220 8.2584 8.2584 8.7898 8.7898 9.9490 9.9490 10.5849 10.5849 11.0562 11.0562 11.7950 11.7950 12.0422 12.0422 13.8677 13.8677 15.2652 15.2652 k = 0.0000 0.0000 0.1222 ( 4093 PWs) bands (ev): -23.9273 -23.9273 -6.9550 -6.9550 -6.8740 -6.8740 -6.8014 -6.8014 -6.7764 -6.7764 -6.7477 -6.7477 -5.6807 -5.6807 -5.6271 -5.6271 -4.5326 -4.5326 -4.4270 -4.4270 -4.2801 -4.2801 -4.2098 -4.2098 -4.1735 -4.1735 -4.0891 -4.0891 -0.4323 -0.4323 3.3671 3.3671 5.6306 5.6306 8.1921 8.1921 8.7536 8.7536 9.8812 9.8812 10.7030 10.7030 10.9443 10.9443 11.8357 11.8357 12.1491 12.1491 13.9637 13.9637 15.2706 15.2706 k = 0.0000 0.0000 0.1426 ( 4091 PWs) bands (ev): -23.9272 -23.9272 -6.9550 -6.9550 -6.8741 -6.8741 -6.8013 -6.8013 -6.7783 -6.7783 -6.7463 -6.7463 -5.6817 -5.6817 -5.6279 -5.6279 -4.5325 -4.5325 -4.4281 -4.4281 -4.2789 -4.2789 -4.2097 -4.2097 -4.1730 -4.1730 -4.0893 -4.0893 -0.4129 -0.4129 3.3596 3.3596 5.6404 5.6404 8.1157 8.1157 8.7207 8.7207 9.8069 9.8069 10.8050 10.8050 10.8558 10.8558 11.8855 11.8855 12.2615 12.2615 14.0589 14.0589 15.2551 15.2551 k = 0.0000 0.0000 0.1629 ( 4091 PWs) bands (ev): -23.9271 -23.9271 -6.9551 -6.9551 -6.8741 -6.8741 -6.8013 -6.8013 -6.7802 -6.7802 -6.7450 -6.7450 -5.6830 -5.6830 -5.6289 -5.6289 -4.5324 -4.5324 -4.4292 -4.4292 -4.2775 -4.2775 -4.2095 -4.2095 -4.1724 -4.1724 -4.0895 -4.0895 -0.3906 -0.3906 3.3511 3.3511 5.6510 5.6510 8.0316 8.0316 8.6908 8.6908 9.7279 9.7279 10.7061 10.7061 10.9753 10.9753 11.9442 11.9442 12.3788 12.3788 14.1472 14.1472 15.2024 15.2024 k = 0.0000 0.0000 0.1833 ( 4087 PWs) bands (ev): -23.9270 -23.9270 -6.9551 -6.9551 -6.8741 -6.8741 -6.8012 -6.8012 -6.7821 -6.7821 -6.7437 -6.7437 -5.6844 -5.6844 -5.6298 -5.6298 -4.5323 -4.5323 -4.4305 -4.4305 -4.2760 -4.2760 -4.2092 -4.2092 -4.1717 -4.1717 -4.0898 -4.0898 -0.3655 -0.3655 3.3417 3.3417 5.6623 5.6623 7.9417 7.9417 8.6635 8.6635 9.6456 9.6456 10.5901 10.5901 11.1186 11.1186 12.0117 12.0117 12.5003 12.5003 14.2219 14.2219 15.1141 15.1141 k = 0.0000 0.0000 0.2037 ( 4077 PWs) bands (ev): -23.9269 -23.9269 -6.9552 -6.9552 -6.8741 -6.8741 -6.8012 -6.8012 -6.7841 -6.7841 -6.7425 -6.7425 -5.6860 -5.6860 -5.6308 -5.6308 -4.5322 -4.5322 -4.4318 -4.4318 -4.2745 -4.2745 -4.2089 -4.2089 -4.1711 -4.1711 -4.0900 -4.0900 -0.3377 -0.3377 3.3315 3.3315 5.6739 5.6739 7.8479 7.8479 8.6380 8.6380 9.5613 9.5613 10.4746 10.4746 11.2684 11.2684 12.0876 12.0876 12.6258 12.6258 14.2750 14.2750 15.0093 15.0093 k = 0.0000 0.0000 0.2240 ( 4077 PWs) bands (ev): -23.9267 -23.9267 -6.9552 -6.9552 -6.8741 -6.8741 -6.8013 -6.8013 -6.7859 -6.7859 -6.7414 -6.7414 -5.6877 -5.6877 -5.6318 -5.6318 -4.5321 -4.5321 -4.4332 -4.4332 -4.2728 -4.2728 -4.2085 -4.2085 -4.1704 -4.1704 -4.0902 -4.0902 -0.3072 -0.3072 3.3205 3.3205 5.6855 5.6855 7.7517 7.7517 8.6136 8.6136 9.4764 9.4764 10.3610 10.3610 11.4233 11.4233 12.1715 12.1715 12.7545 12.7545 14.2962 14.2962 14.9095 14.9095 k = 0.0000 0.0000 0.2444 ( 4065 PWs) bands (ev): -23.9266 -23.9266 -6.9552 -6.9552 -6.8741 -6.8741 -6.8014 -6.8014 -6.7878 -6.7878 -6.7404 -6.7404 -5.6896 -5.6896 -5.6327 -5.6327 -4.5320 -4.5320 -4.4347 -4.4347 -4.2710 -4.2710 -4.2081 -4.2081 -4.1697 -4.1697 -4.0904 -4.0904 -0.2741 -0.2741 3.3087 3.3087 5.6967 5.6967 7.6541 7.6541 8.5899 8.5899 9.3918 9.3918 10.2501 10.2501 11.5824 11.5824 12.2628 12.2628 12.8863 12.8863 14.2740 14.2740 14.8332 14.8332 k = 0.0000 0.0000 0.2647 ( 4067 PWs) bands (ev): -23.9264 -23.9264 -6.9553 -6.9553 -6.8740 -6.8740 -6.8017 -6.8017 -6.7895 -6.7895 -6.7395 -6.7395 -5.6917 -5.6917 -5.6336 -5.6336 -4.5319 -4.5319 -4.4363 -4.4363 -4.2692 -4.2692 -4.2076 -4.2076 -4.1690 -4.1690 -4.0905 -4.0905 -0.2386 -0.2386 3.2964 3.2964 5.7072 5.7072 7.5562 7.5562 8.5664 8.5664 9.3088 9.3088 10.1424 10.1424 11.7452 11.7452 12.3612 12.3612 13.0206 13.0206 14.2043 14.2043 14.7883 14.7883 k = 0.0000 0.0000 0.2851 ( 4081 PWs) bands (ev): -23.9263 -23.9263 -6.9553 -6.9553 -6.8739 -6.8739 -6.8020 -6.8020 -6.7911 -6.7911 -6.7387 -6.7387 -5.6938 -5.6938 -5.6345 -5.6345 -4.5318 -4.5318 -4.4379 -4.4379 -4.2674 -4.2674 -4.2070 -4.2070 -4.1683 -4.1683 -4.0906 -4.0906 -0.2006 -0.2006 3.2835 3.2835 5.7166 5.7166 7.4585 7.4585 8.5426 8.5426 9.2284 9.2284 10.0384 10.0384 11.9113 11.9113 12.4663 12.4663 13.1571 13.1571 14.0979 14.0979 14.7669 14.7669 k = 0.0000 0.0000 0.3055 ( 4085 PWs) bands (ev): -23.9261 -23.9261 -6.9553 -6.9553 -6.8738 -6.8738 -6.8026 -6.8026 -6.7926 -6.7926 -6.7380 -6.7380 -5.6961 -5.6961 -5.6353 -5.6353 -4.5316 -4.5316 -4.4395 -4.4395 -4.2655 -4.2655 -4.2064 -4.2064 -4.1677 -4.1677 -4.0907 -4.0907 -0.1604 -0.1604 3.2702 3.2702 5.7244 5.7244 7.3614 7.3614 8.5182 8.5182 9.1517 9.1517 9.9381 9.9381 12.0802 12.0802 12.5777 12.5777 13.2953 13.2953 13.9703 13.9703 14.7556 14.7556 k = 0.0000 0.0000 0.3258 ( 4083 PWs) bands (ev): -23.9259 -23.9259 -6.9553 -6.9553 -6.8736 -6.8736 -6.8034 -6.8034 -6.7938 -6.7938 -6.7374 -6.7374 -5.6984 -5.6984 -5.6361 -5.6361 -4.5315 -4.5315 -4.4411 -4.4411 -4.2637 -4.2637 -4.2056 -4.2056 -4.1670 -4.1670 -4.0907 -4.0907 -0.1180 -0.1180 3.2565 3.2565 5.7303 5.7303 7.2655 7.2655 8.4928 8.4928 9.0799 9.0799 9.8417 9.8417 12.2516 12.2516 12.6948 12.6948 13.4344 13.4344 13.8326 13.8326 14.7447 14.7447 k = 0.0000 0.0000 0.3462 ( 4073 PWs) bands (ev): -23.9257 -23.9257 -6.9553 -6.9553 -6.8734 -6.8734 -6.8044 -6.8044 -6.7949 -6.7949 -6.7369 -6.7369 -5.7008 -5.7008 -5.6368 -5.6368 -4.5314 -4.5314 -4.4427 -4.4427 -4.2618 -4.2618 -4.2048 -4.2048 -4.1664 -4.1664 -4.0906 -4.0906 -0.0736 -0.0736 3.2426 3.2426 5.7339 5.7339 7.1709 7.1709 8.4661 8.4661 9.0138 9.0138 9.7492 9.7492 12.4251 12.4251 12.8173 12.8173 13.5712 13.5712 13.6938 13.6938 14.7284 14.7284 k = 0.0000 0.0000 0.3666 ( 4081 PWs) bands (ev): -23.9256 -23.9256 -6.9553 -6.9553 -6.8731 -6.8731 -6.8057 -6.8057 -6.7957 -6.7957 -6.7366 -6.7366 -5.7032 -5.7032 -5.6375 -5.6375 -4.5312 -4.5312 -4.4443 -4.4443 -4.2600 -4.2600 -4.2039 -4.2039 -4.1658 -4.1658 -4.0905 -4.0905 -0.0272 -0.0272 3.2284 3.2284 5.7347 5.7347 7.0780 7.0780 8.4379 8.4379 8.9543 8.9543 9.6605 9.6605 12.6003 12.6003 12.9446 12.9446 13.5427 13.5427 13.7197 13.7197 14.7030 14.7030 k = 0.0000 0.0000 0.3869 ( 4071 PWs) bands (ev): -23.9254 -23.9254 -6.9553 -6.9553 -6.8727 -6.8727 -6.8071 -6.8071 -6.7965 -6.7965 -6.7363 -6.7363 -5.7056 -5.7056 -5.6381 -5.6381 -4.5311 -4.5311 -4.4459 -4.4459 -4.2582 -4.2582 -4.2029 -4.2029 -4.1652 -4.1652 -4.0903 -4.0903 0.0209 0.0209 3.2141 3.2141 5.7326 5.7326 6.9868 6.9868 8.4080 8.4080 8.9020 8.9020 9.5755 9.5755 12.7765 12.7765 13.0760 13.0760 13.4042 13.4042 13.8556 13.8556 14.6660 14.6660 k = 0.0000 0.0000 0.4073 ( 4063 PWs) bands (ev): -23.9252 -23.9252 -6.9552 -6.9552 -6.8723 -6.8723 -6.8087 -6.8087 -6.7971 -6.7971 -6.7362 -6.7362 -5.7079 -5.7079 -5.6387 -5.6387 -4.5309 -4.5309 -4.4474 -4.4474 -4.2565 -4.2565 -4.2018 -4.2018 -4.1647 -4.1647 -4.0900 -4.0900 0.0707 0.0707 3.1997 3.1997 5.7272 5.7272 6.8975 6.8975 8.3766 8.3766 8.8570 8.8570 9.4942 9.4942 12.9528 12.9528 13.2097 13.2097 13.2688 13.2688 13.9874 13.9874 14.6164 14.6164 k = 0.0000 0.0000 0.4277 ( 4063 PWs) bands (ev): -23.9250 -23.9250 -6.9551 -6.9551 -6.8718 -6.8718 -6.8104 -6.8104 -6.7976 -6.7976 -6.7362 -6.7362 -5.7101 -5.7101 -5.6392 -5.6392 -4.5307 -4.5307 -4.4488 -4.4488 -4.2548 -4.2548 -4.2006 -4.2006 -4.1642 -4.1642 -4.0897 -4.0897 0.1219 0.1219 3.1854 3.1854 5.7184 5.7184 6.8103 6.8103 8.3440 8.3440 8.8192 8.8192 9.4163 9.4163 13.1147 13.1147 13.1496 13.1496 13.3470 13.3470 14.1038 14.1038 14.5614 14.5614 k = 0.0000 0.0000 0.4480 ( 4059 PWs) bands (ev): -23.9247 -23.9247 -6.9550 -6.9550 -6.8713 -6.8713 -6.8122 -6.8122 -6.7981 -6.7981 -6.7362 -6.7362 -5.7123 -5.7123 -5.6398 -5.6398 -4.5306 -4.5306 -4.4502 -4.4502 -4.2532 -4.2532 -4.1993 -4.1993 -4.1638 -4.1638 -4.0893 -4.0893 0.1744 0.1744 3.1711 3.1711 5.7062 5.7062 6.7252 6.7252 8.3109 8.3109 8.7882 8.7882 9.3416 9.3416 13.0074 13.0074 13.3038 13.3038 13.4807 13.4807 14.1769 14.1769 14.5328 14.5328 k = 0.0000 0.0000 0.4684 ( 4063 PWs) bands (ev): -23.9245 -23.9245 -6.9549 -6.9549 -6.8707 -6.8707 -6.8141 -6.8141 -6.7986 -6.7986 -6.7364 -6.7364 -5.7143 -5.7143 -5.6403 -5.6403 -4.5304 -4.5304 -4.4515 -4.4515 -4.2517 -4.2517 -4.1979 -4.1979 -4.1634 -4.1634 -4.0889 -4.0889 0.2280 0.2280 3.1570 3.1570 5.6907 5.6907 6.6424 6.6424 8.2776 8.2776 8.7632 8.7632 9.2701 9.2701 12.8887 12.8887 13.4675 13.4675 13.6050 13.6050 14.1770 14.1770 14.5745 14.5745 k = 0.0000 0.0000 0.4888 ( 4069 PWs) bands (ev): -23.9243 -23.9243 -6.9548 -6.9548 -6.8700 -6.8700 -6.8160 -6.8160 -6.7991 -6.7991 -6.7366 -6.7366 -5.7163 -5.7163 -5.6407 -5.6407 -4.5302 -4.5302 -4.4527 -4.4527 -4.2503 -4.2503 -4.1965 -4.1965 -4.1630 -4.1630 -4.0884 -4.0884 0.2826 0.2826 3.1430 3.1430 5.6720 5.6720 6.5617 6.5617 8.2447 8.2447 8.7435 8.7435 9.2014 9.2014 12.7773 12.7773 13.5944 13.5944 13.7164 13.7164 14.1576 14.1576 14.6450 14.6450 k = 0.0000 0.0000 0.5091 ( 4071 PWs) bands (ev): -23.9241 -23.9241 -6.9546 -6.9546 -6.8693 -6.8693 -6.8180 -6.8180 -6.7996 -6.7996 -6.7369 -6.7369 -5.7181 -5.7181 -5.6412 -5.6412 -4.5301 -4.5301 -4.4538 -4.4538 -4.2490 -4.2490 -4.1949 -4.1949 -4.1627 -4.1627 -4.0879 -4.0879 0.3378 0.3378 3.1294 3.1294 5.6503 5.6503 6.4834 6.4834 8.2125 8.2125 8.7283 8.7283 9.1354 9.1354 12.6745 12.6745 13.6096 13.6096 13.8465 13.8465 14.1989 14.1989 14.6446 14.6446 k = 0.0000 0.0000 0.5295 ( 4079 PWs) bands (ev): -23.9239 -23.9239 -6.9544 -6.9544 -6.8686 -6.8686 -6.8200 -6.8200 -6.8002 -6.8002 -6.7374 -6.7374 -5.7197 -5.7197 -5.6416 -5.6416 -4.5299 -4.5299 -4.4548 -4.4548 -4.2478 -4.2478 -4.1933 -4.1933 -4.1623 -4.1623 -4.0873 -4.0873 0.3936 0.3936 3.1160 3.1160 5.6262 5.6262 6.4076 6.4076 8.1812 8.1812 8.7170 8.7170 9.0719 9.0719 12.5811 12.5811 13.5277 13.5277 13.9843 13.9843 14.3049 14.3049 14.6296 14.6296 k = 0.0000 0.0000 0.5499 ( 4083 PWs) bands (ev): -23.9237 -23.9237 -6.9542 -6.9542 -6.8678 -6.8678 -6.8220 -6.8220 -6.8007 -6.8007 -6.7378 -6.7378 -5.7213 -5.7213 -5.6420 -5.6420 -4.5297 -4.5297 -4.4557 -4.4557 -4.2468 -4.2468 -4.1917 -4.1917 -4.1620 -4.1620 -4.0867 -4.0867 0.4497 0.4497 3.1029 3.1029 5.5999 5.5999 6.3341 6.3341 8.1506 8.1506 8.7091 8.7091 9.0107 9.0107 12.4979 12.4979 13.4044 13.4044 14.1002 14.1002 14.4355 14.4355 14.6478 14.6478 k = 0.0000 0.0000 0.5702 ( 4077 PWs) bands (ev): -23.9235 -23.9235 -6.9540 -6.9540 -6.8669 -6.8669 -6.8240 -6.8240 -6.8012 -6.8012 -6.7384 -6.7384 -5.7227 -5.7227 -5.6423 -5.6423 -4.5295 -4.5295 -4.4564 -4.4564 -4.2459 -4.2459 -4.1900 -4.1900 -4.1617 -4.1617 -4.0860 -4.0860 0.5059 0.5059 3.0902 3.0902 5.5721 5.5721 6.2632 6.2632 8.1205 8.1205 8.7040 8.7040 8.9518 8.9518 12.4253 12.4253 13.2650 13.2650 14.1713 14.1713 14.5612 14.5612 14.7315 14.7315 k = 0.0000 0.0000 0.5906 ( 4073 PWs) bands (ev): -23.9233 -23.9233 -6.9537 -6.9537 -6.8660 -6.8660 -6.8261 -6.8261 -6.8018 -6.8018 -6.7389 -6.7389 -5.7240 -5.7240 -5.6426 -5.6426 -4.5293 -4.5293 -4.4571 -4.4571 -4.2451 -4.2451 -4.1883 -4.1883 -4.1614 -4.1614 -4.0853 -4.0853 0.5620 0.5620 3.0780 3.0780 5.5432 5.5432 6.1948 6.1948 8.0904 8.0904 8.7015 8.7015 8.8949 8.8949 12.3640 12.3640 13.1194 13.1194 14.1911 14.1911 14.6862 14.6862 14.8722 14.8722 k = 0.0000 0.0000 0.6110 ( 4069 PWs) bands (ev): -23.9231 -23.9231 -6.9535 -6.9535 -6.8651 -6.8651 -6.8281 -6.8281 -6.8023 -6.8023 -6.7396 -6.7396 -5.7251 -5.7251 -5.6428 -5.6428 -4.5292 -4.5292 -4.4576 -4.4576 -4.2444 -4.2444 -4.1865 -4.1865 -4.1612 -4.1612 -4.0845 -4.0845 0.6176 0.6176 3.0662 3.0662 5.5138 5.5138 6.1291 6.1291 8.0600 8.0600 8.7013 8.7013 8.8401 8.8401 12.3144 12.3144 12.9722 12.9722 14.1772 14.1772 14.8222 14.8222 15.0328 15.0328 k = 0.0000 0.0000 0.6313 ( 4065 PWs) bands (ev): -23.9229 -23.9229 -6.9532 -6.9532 -6.8642 -6.8642 -6.8302 -6.8302 -6.8029 -6.8029 -6.7402 -6.7402 -5.7261 -5.7261 -5.6430 -5.6430 -4.5290 -4.5290 -4.4580 -4.4580 -4.2439 -4.2439 -4.1847 -4.1847 -4.1609 -4.1609 -4.0838 -4.0838 0.6726 0.6726 3.0548 3.0548 5.4844 5.4844 6.0661 6.0661 8.0287 8.0287 8.7030 8.7030 8.7876 8.7876 12.2766 12.2766 12.8258 12.8258 14.1468 14.1468 14.9636 14.9636 15.1896 15.1896 k = 0.0000 0.0000 0.6517 ( 4067 PWs) bands (ev): -23.9227 -23.9227 -6.9529 -6.9529 -6.8632 -6.8632 -6.8322 -6.8322 -6.8034 -6.8034 -6.7409 -6.7409 -5.7271 -5.7271 -5.6431 -5.6431 -4.5288 -4.5288 -4.4583 -4.4583 -4.2435 -4.2435 -4.1829 -4.1829 -4.1606 -4.1606 -4.0830 -4.0830 0.7267 0.7267 3.0440 3.0440 5.4556 5.4556 6.0058 6.0058 7.9961 7.9961 8.7049 8.7049 8.7390 8.7390 12.2507 12.2507 12.6814 12.6814 14.1088 14.1088 15.1002 15.1002 15.3227 15.3227 k = 0.0000 0.0000 0.6721 ( 4071 PWs) bands (ev): -23.9226 -23.9226 -6.9526 -6.9526 -6.8623 -6.8623 -6.8342 -6.8342 -6.8039 -6.8039 -6.7416 -6.7416 -5.7279 -5.7279 -5.6431 -5.6431 -4.5286 -4.5286 -4.4585 -4.4585 -4.2432 -4.2432 -4.1812 -4.1812 -4.1603 -4.1603 -4.0822 -4.0822 0.7796 0.7796 3.0337 3.0337 5.4278 5.4278 5.9484 5.9484 7.9617 7.9617 8.6825 8.6825 8.7189 8.7189 12.2364 12.2364 12.5403 12.5403 14.0674 14.0674 15.2146 15.2146 15.4262 15.4262 k = 0.0000 0.0000 0.6924 ( 4079 PWs) bands (ev): -23.9224 -23.9224 -6.9523 -6.9523 -6.8613 -6.8613 -6.8362 -6.8362 -6.8045 -6.8045 -6.7423 -6.7423 -5.7287 -5.7287 -5.6431 -5.6431 -4.5284 -4.5284 -4.4586 -4.4586 -4.2431 -4.2431 -4.1794 -4.1794 -4.1600 -4.1600 -4.0814 -4.0814 0.8311 0.8311 3.0239 3.0239 5.4015 5.4015 5.8937 5.8937 7.9251 7.9251 8.6381 8.6381 8.7252 8.7252 12.2329 12.2329 12.4037 12.4037 14.0248 14.0248 15.2817 15.2817 15.5327 15.5327 k = 0.0000 0.0000 0.7128 ( 4087 PWs) bands (ev): -23.9222 -23.9222 -6.9519 -6.9519 -6.8604 -6.8604 -6.8381 -6.8381 -6.8050 -6.8050 -6.7431 -6.7431 -5.7294 -5.7294 -5.6430 -5.6430 -4.5283 -4.5283 -4.4586 -4.4586 -4.2431 -4.2431 -4.1777 -4.1777 -4.1597 -4.1597 -4.0806 -4.0806 0.8809 0.8809 3.0147 3.0147 5.3771 5.3771 5.8420 5.8420 7.8864 7.8864 8.5946 8.5946 8.7352 8.7352 12.2322 12.2322 12.2795 12.2795 13.9821 13.9821 15.3036 15.3036 15.6601 15.6601 k = 0.0000 0.0000 0.7332 ( 4083 PWs) bands (ev): -23.9221 -23.9221 -6.9516 -6.9516 -6.8596 -6.8596 -6.8399 -6.8399 -6.8054 -6.8054 -6.7438 -6.7438 -5.7300 -5.7300 -5.6429 -5.6429 -4.5281 -4.5281 -4.4585 -4.4585 -4.2432 -4.2432 -4.1760 -4.1760 -4.1595 -4.1595 -4.0798 -4.0798 0.9288 0.9288 3.0060 3.0060 5.3548 5.3548 5.7931 5.7931 7.8454 7.8454 8.5535 8.5535 8.7473 8.7473 12.1359 12.1359 12.2660 12.2660 13.9399 13.9399 15.3030 15.3030 15.7972 15.7972 k = 0.0000 0.0000 0.7535 ( 4087 PWs) bands (ev): -23.9219 -23.9219 -6.9513 -6.9513 -6.8588 -6.8588 -6.8417 -6.8417 -6.8059 -6.8059 -6.7445 -6.7445 -5.7306 -5.7306 -5.6426 -5.6426 -4.5280 -4.5280 -4.4583 -4.4583 -4.2433 -4.2433 -4.1744 -4.1744 -4.1592 -4.1592 -4.0790 -4.0790 0.9745 0.9745 2.9979 2.9979 5.3350 5.3350 5.7472 5.7472 7.8024 7.8024 8.5152 8.5152 8.7612 8.7612 12.0143 12.0143 12.2924 12.2924 13.8987 13.8987 15.2928 15.2928 15.9343 15.9343 k = 0.0000 0.0000 0.7739 ( 4091 PWs) bands (ev): -23.9218 -23.9218 -6.9510 -6.9510 -6.8581 -6.8581 -6.8433 -6.8433 -6.8063 -6.8063 -6.7452 -6.7452 -5.7312 -5.7312 -5.6424 -5.6424 -4.5278 -4.5278 -4.4581 -4.4581 -4.2436 -4.2436 -4.1729 -4.1729 -4.1589 -4.1589 -4.0782 -4.0782 1.0178 1.0178 2.9904 2.9904 5.3179 5.3179 5.7042 5.7042 7.7577 7.7577 8.4800 8.4800 8.7768 8.7768 11.8974 11.8974 12.3285 12.3285 13.8585 13.8585 15.2786 15.2786 16.0637 16.0637 k = 0.0000 0.0000 0.7942 ( 4095 PWs) bands (ev): -23.9216 -23.9216 -6.9506 -6.9506 -6.8575 -6.8575 -6.8447 -6.8447 -6.8067 -6.8067 -6.7458 -6.7458 -5.7317 -5.7317 -5.6420 -5.6420 -4.5277 -4.5277 -4.4578 -4.4578 -4.2439 -4.2439 -4.1714 -4.1714 -4.1587 -4.1587 -4.0775 -4.0775 1.0584 1.0584 2.9835 2.9835 5.3034 5.3034 5.6641 5.6641 7.7119 7.7119 8.4479 8.4479 8.7937 8.7937 11.7863 11.7863 12.3722 12.3722 13.8196 13.8196 15.2629 15.2629 16.1741 16.1741 k = 0.0000 0.0000 0.8146 ( 4099 PWs) bands (ev): -23.9215 -23.9215 -6.9503 -6.9503 -6.8571 -6.8571 -6.8459 -6.8459 -6.8070 -6.8070 -6.7465 -6.7465 -5.7321 -5.7321 -5.6417 -5.6417 -4.5275 -4.5275 -4.4575 -4.4575 -4.2443 -4.2443 -4.1700 -4.1700 -4.1585 -4.1585 -4.0768 -4.0768 1.0962 1.0962 2.9772 2.9772 5.2918 5.2918 5.6270 5.6270 7.6658 7.6658 8.4189 8.4189 8.8116 8.8116 11.6819 11.6819 12.4220 12.4220 13.7821 13.7821 15.2470 15.2470 16.2574 16.2574 k = 0.0000 0.0000 0.8350 ( 4097 PWs) bands (ev): -23.9214 -23.9214 -6.9501 -6.9501 -6.8569 -6.8569 -6.8469 -6.8469 -6.8074 -6.8074 -6.7471 -6.7471 -5.7326 -5.7326 -5.6413 -5.6413 -4.5274 -4.5274 -4.4571 -4.4571 -4.2447 -4.2447 -4.1687 -4.1687 -4.1583 -4.1583 -4.0761 -4.0761 1.1310 1.1310 2.9715 2.9715 5.2830 5.2830 5.5928 5.5928 7.6202 7.6202 8.3931 8.3931 8.8301 8.8301 11.5848 11.5848 12.4766 12.4766 13.7459 13.7459 15.2315 15.2315 16.3220 16.3220 k = 0.0000 0.0000 0.8553 ( 4089 PWs) bands (ev): -23.9213 -23.9213 -6.9498 -6.9498 -6.8568 -6.8568 -6.8476 -6.8476 -6.8076 -6.8076 -6.7476 -6.7476 -5.7330 -5.7330 -5.6409 -5.6409 -4.5273 -4.5273 -4.4568 -4.4568 -4.2451 -4.2451 -4.1675 -4.1675 -4.1581 -4.1581 -4.0755 -4.0755 1.1625 1.1625 2.9663 2.9663 5.2767 5.2767 5.5615 5.5615 7.5760 7.5760 8.3703 8.3703 8.8489 8.8489 11.4954 11.4954 12.5343 12.5343 13.7110 13.7110 15.2171 15.2171 16.3767 16.3767 k = 0.0000 0.0000 0.8757 ( 4095 PWs) bands (ev): -23.9212 -23.9212 -6.9496 -6.9496 -6.8570 -6.8570 -6.8481 -6.8481 -6.8079 -6.8079 -6.7481 -6.7481 -5.7333 -5.7333 -5.6405 -5.6405 -4.5272 -4.5272 -4.4564 -4.4564 -4.2455 -4.2455 -4.1663 -4.1663 -4.1580 -4.1580 -4.0749 -4.0749 1.1907 1.1907 2.9618 2.9618 5.2729 5.2729 5.5332 5.5332 7.5341 7.5341 8.3504 8.3504 8.8673 8.8673 11.4144 11.4144 12.5936 12.5936 13.6776 13.6776 15.2039 15.2039 16.4073 16.4073 k = 0.0000 0.0000 0.8961 ( 4087 PWs) bands (ev): -23.9211 -23.9211 -6.9493 -6.9493 -6.8574 -6.8574 -6.8483 -6.8483 -6.8081 -6.8081 -6.7485 -6.7485 -5.7337 -5.7337 -5.6401 -5.6401 -4.5271 -4.5271 -4.4561 -4.4561 -4.2459 -4.2459 -4.1653 -4.1653 -4.1580 -4.1580 -4.0743 -4.0743 1.2153 1.2153 2.9579 2.9579 5.2712 5.2712 5.5078 5.5078 7.4955 7.4955 8.3334 8.3334 8.8849 8.8849 11.3424 11.3424 12.6526 12.6526 13.6459 13.6459 15.1921 15.1921 16.3634 16.3634 k = 0.0000 0.0000 0.9164 ( 4081 PWs) bands (ev): -23.9211 -23.9211 -6.9491 -6.9491 -6.8578 -6.8578 -6.8484 -6.8484 -6.8083 -6.8083 -6.7489 -6.7489 -5.7340 -5.7340 -5.6397 -5.6397 -4.5270 -4.5270 -4.4558 -4.4558 -4.2462 -4.2462 -4.1644 -4.1644 -4.1579 -4.1579 -4.0739 -4.0739 1.2364 1.2364 2.9546 2.9546 5.2712 5.2712 5.4856 5.4856 7.4611 7.4611 8.3193 8.3193 8.9012 8.9012 11.2800 11.2800 12.7093 12.7093 13.6160 13.6160 15.1820 15.1820 16.3100 16.3100 k = 0.0000 0.0000 0.9368 ( 4089 PWs) bands (ev): -23.9210 -23.9210 -6.9490 -6.9490 -6.8582 -6.8582 -6.8484 -6.8484 -6.8084 -6.8084 -6.7492 -6.7492 -5.7342 -5.7342 -5.6394 -5.6394 -4.5270 -4.5270 -4.4555 -4.4555 -4.2465 -4.2465 -4.1636 -4.1636 -4.1580 -4.1580 -4.0735 -4.0735 1.2537 1.2537 2.9519 2.9519 5.2726 5.2726 5.4666 5.4666 7.4317 7.4317 8.3078 8.3078 8.9154 8.9154 11.2279 11.2279 12.7614 12.7614 13.5888 13.5888 15.1735 15.1735 16.2589 16.2589 k = 0.0000 0.0000 0.9572 ( 4081 PWs) bands (ev): -23.9210 -23.9210 -6.9489 -6.9489 -6.8586 -6.8586 -6.8483 -6.8483 -6.8085 -6.8085 -6.7494 -6.7494 -5.7344 -5.7344 -5.6392 -5.6392 -4.5269 -4.5269 -4.4553 -4.4553 -4.2468 -4.2468 -4.1630 -4.1630 -4.1580 -4.1580 -4.0732 -4.0732 1.2672 1.2672 2.9498 2.9498 5.2747 5.2747 5.4512 5.4512 7.4080 7.4080 8.2989 8.2989 8.9272 8.9272 11.1867 11.1867 12.8064 12.8064 13.5651 13.5651 15.1669 15.1669 16.2150 16.2150 k = 0.0000 0.0000 0.9775 ( 4079 PWs) bands (ev): -23.9209 -23.9209 -6.9488 -6.9488 -6.8589 -6.8589 -6.8482 -6.8482 -6.8086 -6.8086 -6.7496 -6.7496 -5.7345 -5.7345 -5.6390 -5.6390 -4.5269 -4.5269 -4.4551 -4.4551 -4.2470 -4.2470 -4.1625 -4.1625 -4.1581 -4.1581 -4.0730 -4.0730 1.2769 1.2769 2.9483 2.9483 5.2770 5.2770 5.4396 5.4396 7.3907 7.3907 8.2926 8.2926 8.9361 8.9361 11.1569 11.1569 12.8414 12.8414 13.5464 13.5464 15.1620 15.1620 16.1814 16.1814 k = 0.0000 0.0000 0.9979 ( 4087 PWs) bands (ev): -23.9209 -23.9209 -6.9487 -6.9487 -6.8590 -6.8590 -6.8482 -6.8482 -6.8087 -6.8087 -6.7497 -6.7497 -5.7346 -5.7346 -5.6389 -5.6389 -4.5269 -4.5269 -4.4550 -4.4550 -4.2471 -4.2471 -4.1622 -4.1622 -4.1581 -4.1581 -4.0728 -4.0728 1.2828 1.2828 2.9474 2.9474 5.2786 5.2786 5.4325 5.4325 7.3801 7.3801 8.2888 8.2888 8.9415 8.9415 11.1388 11.1388 12.8638 12.8638 13.5343 13.5343 15.1591 15.1591 16.1604 16.1604 k = 0.0000 0.0000 1.0183 ( 4090 PWs) bands (ev): -23.9209 -23.9209 -6.9487 -6.9487 -6.8591 -6.8591 -6.8482 -6.8482 -6.8087 -6.8087 -6.7497 -6.7497 -5.7346 -5.7346 -5.6389 -5.6389 -4.5269 -4.5269 -4.4550 -4.4550 -4.2471 -4.2471 -4.1621 -4.1621 -4.1581 -4.1581 -4.0728 -4.0728 1.2847 1.2847 2.9471 2.9471 5.2793 5.2793 5.4300 5.4300 7.3765 7.3765 8.2876 8.2876 8.9433 8.9433 11.1327 11.1327 12.8716 12.8716 13.5300 13.5300 15.1582 15.1582 16.1533 16.1533 k = 0.0000 0.0000 1.0183 ( 4090 PWs) bands (ev): -23.9209 -23.9209 -6.9487 -6.9487 -6.8591 -6.8591 -6.8482 -6.8482 -6.8087 -6.8087 -6.7497 -6.7497 -5.7346 -5.7346 -5.6389 -5.6389 -4.5269 -4.5269 -4.4550 -4.4550 -4.2471 -4.2471 -4.1621 -4.1621 -4.1581 -4.1581 -4.0728 -4.0728 1.2847 1.2847 2.9471 2.9471 5.2793 5.2793 5.4300 5.4300 7.3765 7.3765 8.2876 8.2876 8.9433 8.9433 11.1327 11.1327 12.8716 12.8716 13.5300 13.5300 15.1582 15.1582 16.1533 16.1533 k =-0.0099 0.0176 1.0183 ( 4094 PWs) bands (ev): -23.9209 -23.9209 -6.9487 -6.9487 -6.8591 -6.8591 -6.8482 -6.8482 -6.8087 -6.8087 -6.7497 -6.7497 -5.7346 -5.7346 -5.6389 -5.6389 -4.5268 -4.5268 -4.4550 -4.4550 -4.2471 -4.2471 -4.1622 -4.1622 -4.1581 -4.1581 -4.0729 -4.0729 1.2851 1.2851 2.9408 2.9408 5.2805 5.2805 5.4388 5.4388 7.3741 7.3741 8.2894 8.2894 8.9455 8.9455 11.1326 11.1326 12.8751 12.8751 13.5295 13.5295 15.1596 15.1596 16.1447 16.1447 k =-0.0199 0.0352 1.0183 ( 4088 PWs) bands (ev): -23.9209 -23.9209 -6.9487 -6.9487 -6.8592 -6.8592 -6.8481 -6.8481 -6.8086 -6.8086 -6.7495 -6.7495 -5.7344 -5.7344 -5.6392 -5.6392 -4.5268 -4.5268 -4.4552 -4.4552 -4.2470 -4.2470 -4.1624 -4.1624 -4.1579 -4.1579 -4.0730 -4.0730 1.2861 1.2861 2.9222 2.9222 5.2844 5.2844 5.4647 5.4647 7.3671 7.3671 8.2949 8.2949 8.9520 8.9520 11.1324 11.1324 12.8855 12.8855 13.5279 13.5279 15.1640 15.1640 16.1196 16.1196 k =-0.0298 0.0528 1.0183 ( 4084 PWs) bands (ev): -23.9210 -23.9210 -6.9488 -6.9488 -6.8594 -6.8594 -6.8479 -6.8479 -6.8085 -6.8085 -6.7493 -6.7493 -5.7341 -5.7341 -5.6396 -5.6396 -4.5267 -4.5267 -4.4556 -4.4556 -4.2468 -4.2468 -4.1629 -4.1629 -4.1576 -4.1576 -4.0733 -4.0733 1.2879 1.2879 2.8921 2.8921 5.2911 5.2911 5.5069 5.5069 7.3556 7.3556 8.3042 8.3042 8.9627 8.9627 11.1322 11.1322 12.9026 12.9026 13.5254 13.5254 15.1712 15.1712 16.0797 16.0797 k =-0.0397 0.0705 1.0183 ( 4084 PWs) bands (ev): -23.9210 -23.9210 -6.9488 -6.9488 -6.8596 -6.8596 -6.8477 -6.8477 -6.8083 -6.8083 -6.7489 -6.7489 -5.7337 -5.7337 -5.6401 -5.6401 -4.5266 -4.5266 -4.4560 -4.4560 -4.2466 -4.2466 -4.1635 -4.1635 -4.1572 -4.1572 -4.0737 -4.0737 1.2902 1.2902 2.8516 2.8516 5.3007 5.3007 5.5639 5.5639 7.3399 7.3399 8.3172 8.3172 8.9776 8.9776 11.1319 11.1319 12.9257 12.9257 13.5219 13.5219 15.1811 15.1811 16.0277 16.0277 k =-0.0496 0.0881 1.0183 ( 4092 PWs) bands (ev): -23.9211 -23.9211 -6.9489 -6.9489 -6.8599 -6.8599 -6.8474 -6.8474 -6.8080 -6.8080 -6.7485 -6.7485 -5.7331 -5.7331 -5.6408 -5.6408 -4.5265 -4.5265 -4.4566 -4.4566 -4.2463 -4.2463 -4.1643 -4.1643 -4.1567 -4.1567 -4.0741 -4.0741 1.2932 1.2932 2.8021 2.8021 5.3132 5.3132 5.6343 5.6343 7.3205 7.3205 8.3340 8.3340 8.9966 8.9966 11.1317 11.1317 12.9540 12.9540 13.5175 13.5175 15.1934 15.1934 15.9670 15.9670 k =-0.0596 0.1057 1.0183 ( 4094 PWs) bands (ev): -23.9211 -23.9211 -6.9490 -6.9490 -6.8603 -6.8603 -6.8471 -6.8471 -6.8078 -6.8078 -6.7479 -6.7479 -5.7325 -5.7325 -5.6416 -5.6416 -4.5263 -4.5263 -4.4573 -4.4573 -4.2460 -4.2460 -4.1651 -4.1651 -4.1562 -4.1562 -4.0747 -4.0747 1.2966 1.2966 2.7450 2.7450 5.3286 5.3286 5.7165 5.7165 7.2978 7.2978 8.3548 8.3548 9.0195 9.0195 11.1317 11.1317 12.9865 12.9865 13.5124 13.5124 15.2081 15.2081 15.9013 15.9013 k =-0.0695 0.1233 1.0183 ( 4090 PWs) bands (ev): -23.9212 -23.9212 -6.9490 -6.9490 -6.8607 -6.8607 -6.8466 -6.8466 -6.8075 -6.8075 -6.7473 -6.7473 -5.7318 -5.7318 -5.6425 -5.6425 -4.5261 -4.5261 -4.4581 -4.4581 -4.2457 -4.2457 -4.1661 -4.1661 -4.1555 -4.1555 -4.0753 -4.0753 1.3005 1.3005 2.6818 2.6818 5.3470 5.3470 5.8090 5.8090 7.2725 7.2725 8.3794 8.3794 9.0462 9.0462 11.1321 11.1321 13.0221 13.0221 13.5066 13.5066 15.2247 15.2247 15.8340 15.8340 k =-0.0794 0.1409 1.0183 ( 4086 PWs) bands (ev): -23.9213 -23.9213 -6.9491 -6.9491 -6.8611 -6.8611 -6.8461 -6.8461 -6.8071 -6.8071 -6.7466 -6.7466 -5.7310 -5.7310 -5.6435 -5.6435 -4.5259 -4.5259 -4.4590 -4.4590 -4.2453 -4.2453 -4.1673 -4.1673 -4.1548 -4.1548 -4.0760 -4.0760 1.3047 1.3047 2.6137 2.6137 5.3682 5.3682 5.9101 5.9101 7.2453 7.2453 8.4079 8.4079 9.0767 9.0767 11.1330 11.1330 13.0593 13.0593 13.5003 13.5003 15.2427 15.2427 15.7683 15.7683 k =-0.0794 0.1409 1.0183 ( 4086 PWs) bands (ev): -23.9213 -23.9213 -6.9491 -6.9491 -6.8611 -6.8611 -6.8461 -6.8461 -6.8071 -6.8071 -6.7466 -6.7466 -5.7310 -5.7310 -5.6435 -5.6435 -4.5259 -4.5259 -4.4590 -4.4590 -4.2453 -4.2453 -4.1673 -4.1673 -4.1548 -4.1548 -4.0760 -4.0760 1.3047 1.3047 2.6137 2.6137 5.3682 5.3682 5.9101 5.9101 7.2453 7.2453 8.4079 8.4079 9.0767 9.0767 11.1330 11.1330 13.0593 13.0593 13.5003 13.5003 15.2427 15.2427 15.7683 15.7683 k =-0.0864 0.1534 1.0040 ( 4089 PWs) bands (ev): -23.9214 -23.9214 -6.9492 -6.9492 -6.8615 -6.8615 -6.8457 -6.8457 -6.8068 -6.8068 -6.7461 -6.7461 -5.7304 -5.7304 -5.6443 -5.6443 -4.5257 -4.5257 -4.4597 -4.4597 -4.2451 -4.2451 -4.1681 -4.1681 -4.1543 -4.1543 -4.0766 -4.0766 1.3070 1.3070 2.5636 2.5636 5.3842 5.3842 5.9866 5.9866 7.2279 7.2279 8.4306 8.4306 9.0995 9.0995 11.1371 11.1371 13.0819 13.0819 13.4973 13.4973 15.2562 15.2562 15.7259 15.7259 k =-0.0934 0.1658 0.9897 ( 4093 PWs) bands (ev): -23.9214 -23.9214 -6.9493 -6.9493 -6.8618 -6.8618 -6.8452 -6.8452 -6.8065 -6.8065 -6.7455 -6.7455 -5.7298 -5.7298 -5.6451 -5.6451 -4.5255 -4.5255 -4.4604 -4.4604 -4.2448 -4.2448 -4.1691 -4.1691 -4.1537 -4.1537 -4.0773 -4.0773 1.3077 1.3077 2.5127 2.5127 5.3999 5.3999 6.0675 6.0675 7.2158 7.2158 8.4554 8.4554 9.1225 9.1225 11.1475 11.1475 13.0973 13.0973 13.4969 13.4969 15.2700 15.2700 15.6888 15.6888 k =-0.1005 0.1782 0.9754 ( 4095 PWs) bands (ev): -23.9215 -23.9215 -6.9494 -6.9494 -6.8621 -6.8621 -6.8447 -6.8447 -6.8061 -6.8061 -6.7449 -6.7449 -5.7291 -5.7291 -5.6460 -5.6460 -4.5253 -4.5253 -4.4612 -4.4612 -4.2446 -4.2446 -4.1703 -4.1703 -4.1530 -4.1530 -4.0780 -4.0780 1.3071 1.3071 2.4615 2.4615 5.4146 5.4146 6.1521 6.1521 7.2096 7.2096 8.4820 8.4820 9.1460 9.1460 11.1643 11.1643 13.1062 13.1062 13.4978 13.4978 15.2830 15.2830 15.6548 15.6548 k =-0.1075 0.1907 0.9612 ( 4099 PWs) bands (ev): -23.9216 -23.9216 -6.9496 -6.9496 -6.8625 -6.8625 -6.8441 -6.8441 -6.8057 -6.8057 -6.7443 -6.7443 -5.7284 -5.7284 -5.6468 -5.6468 -4.5252 -4.5252 -4.4621 -4.4621 -4.2443 -4.2443 -4.1715 -4.1715 -4.1523 -4.1523 -4.0787 -4.0787 1.3051 1.3051 2.4102 2.4102 5.4276 5.4276 6.2397 6.2397 7.2103 7.2103 8.5102 8.5102 9.1700 9.1700 11.1876 11.1876 13.1097 13.1097 13.4986 13.4986 15.2936 15.2936 15.6191 15.6191 k =-0.1145 0.2031 0.9469 ( 4099 PWs) bands (ev): -23.9217 -23.9217 -6.9497 -6.9497 -6.8628 -6.8628 -6.8435 -6.8435 -6.8053 -6.8053 -6.7437 -6.7437 -5.7277 -5.7277 -5.6477 -5.6477 -4.5250 -4.5250 -4.4630 -4.4630 -4.2440 -4.2440 -4.1728 -4.1728 -4.1516 -4.1516 -4.0795 -4.0795 1.3019 1.3019 2.3592 2.3592 5.4385 5.4385 6.3297 6.3297 7.2186 7.2186 8.5397 8.5397 9.1948 9.1948 11.2170 11.2170 13.1092 13.1092 13.4979 13.4979 15.2989 15.2989 15.5714 15.5714 k =-0.1215 0.2155 0.9326 ( 4097 PWs) bands (ev): -23.9219 -23.9219 -6.9499 -6.9499 -6.8631 -6.8631 -6.8428 -6.8428 -6.8048 -6.8048 -6.7431 -6.7431 -5.7271 -5.7271 -5.6485 -5.6485 -4.5248 -4.5248 -4.4640 -4.4640 -4.2437 -4.2437 -4.1742 -4.1742 -4.1508 -4.1508 -4.0804 -4.0804 1.2977 1.2977 2.3089 2.3089 5.4465 5.4465 6.4215 6.4215 7.2350 7.2350 8.5706 8.5706 9.2208 9.2208 11.2526 11.2526 13.1058 13.1058 13.4947 13.4947 15.2914 15.2914 15.4992 15.4992 k =-0.1285 0.2280 0.9183 ( 4101 PWs) bands (ev): -23.9220 -23.9220 -6.9501 -6.9501 -6.8634 -6.8634 -6.8420 -6.8420 -6.8044 -6.8044 -6.7425 -6.7425 -5.7264 -5.7264 -5.6493 -5.6493 -4.5246 -4.5246 -4.4650 -4.4650 -4.2434 -4.2434 -4.1757 -4.1757 -4.1500 -4.1500 -4.0812 -4.0812 1.2925 1.2925 2.2594 2.2594 5.4514 5.4514 6.5144 6.5144 7.2598 7.2598 8.6025 8.6025 9.2484 9.2484 11.2942 11.2942 13.1003 13.1003 13.4883 13.4883 15.2490 15.2490 15.4189 15.4189 k =-0.1355 0.2404 0.9041 ( 4100 PWs) bands (ev): -23.9221 -23.9221 -6.9502 -6.9502 -6.8637 -6.8637 -6.8412 -6.8412 -6.8038 -6.8038 -6.7420 -6.7420 -5.7259 -5.7259 -5.6501 -5.6501 -4.5244 -4.5244 -4.4660 -4.4660 -4.2431 -4.2431 -4.1773 -4.1773 -4.1492 -4.1492 -4.0821 -4.0821 1.2865 1.2865 2.2110 2.2110 5.4528 5.4528 6.6079 6.6079 7.2931 7.2931 8.6356 8.6356 9.2780 9.2780 11.3416 11.3416 13.0935 13.0935 13.4784 13.4784 15.1447 15.1447 15.3683 15.3683 k =-0.1425 0.2528 0.8898 ( 4100 PWs) bands (ev): -23.9222 -23.9222 -6.9504 -6.9504 -6.8640 -6.8640 -6.8403 -6.8403 -6.8033 -6.8033 -6.7415 -6.7415 -5.7254 -5.7254 -5.6507 -5.6507 -4.5242 -4.5242 -4.4670 -4.4670 -4.2428 -4.2428 -4.1789 -4.1789 -4.1483 -4.1483 -4.0831 -4.0831 1.2797 1.2797 2.1638 2.1638 5.4508 5.4508 6.7013 6.7013 7.3347 7.3347 8.6696 8.6696 9.3101 9.3101 11.3944 11.3944 13.0856 13.0856 13.4650 13.4650 15.0008 15.0008 15.3328 15.3328 k =-0.1495 0.2653 0.8755 ( 4104 PWs) bands (ev): -23.9224 -23.9224 -6.9506 -6.9506 -6.8644 -6.8644 -6.8393 -6.8393 -6.8028 -6.8028 -6.7410 -6.7410 -5.7250 -5.7250 -5.6513 -5.6513 -4.5240 -4.5240 -4.4681 -4.4681 -4.2426 -4.2426 -4.1806 -4.1806 -4.1473 -4.1473 -4.0840 -4.0840 1.2725 1.2725 2.1181 2.1181 5.4454 5.4454 6.7940 6.7940 7.3843 7.3843 8.7047 8.7047 9.3453 9.3453 11.4526 11.4526 13.0766 13.0766 13.4483 13.4483 14.8427 14.8427 15.2892 15.2892 k =-0.1565 0.2777 0.8612 ( 4104 PWs) bands (ev): -23.9225 -23.9225 -6.9508 -6.9508 -6.8647 -6.8647 -6.8382 -6.8382 -6.8022 -6.8022 -6.7405 -6.7405 -5.7247 -5.7247 -5.6517 -5.6517 -4.5238 -4.5238 -4.4691 -4.4691 -4.2423 -4.2423 -4.1823 -4.1823 -4.1464 -4.1464 -4.0849 -4.0849 1.2648 1.2648 2.0740 2.0740 5.4368 5.4368 6.8853 6.8853 7.4414 7.4414 8.7407 8.7407 9.3843 9.3843 11.5157 11.5157 13.0660 13.0660 13.4284 13.4284 14.6802 14.6802 15.2269 15.2269 k =-0.1635 0.2901 0.8470 ( 4096 PWs) bands (ev): -23.9226 -23.9226 -6.9511 -6.9511 -6.8650 -6.8650 -6.8372 -6.8372 -6.8017 -6.8017 -6.7402 -6.7402 -5.7245 -5.7245 -5.6521 -5.6521 -4.5236 -4.5236 -4.4702 -4.4702 -4.2421 -4.2421 -4.1840 -4.1840 -4.1454 -4.1454 -4.0859 -4.0859 1.2567 1.2567 2.0316 2.0316 5.4255 5.4255 6.9746 6.9746 7.5054 7.5054 8.7775 8.7775 9.4279 9.4279 11.5836 11.5836 13.0528 13.0528 13.4057 13.4057 14.5189 14.5189 15.1405 15.1405 k =-0.1706 0.3026 0.8327 ( 4098 PWs) bands (ev): -23.9228 -23.9228 -6.9513 -6.9513 -6.8653 -6.8653 -6.8360 -6.8360 -6.8011 -6.8011 -6.7398 -6.7398 -5.7244 -5.7244 -5.6522 -5.6522 -4.5235 -4.5235 -4.4712 -4.4712 -4.2420 -4.2420 -4.1858 -4.1858 -4.1443 -4.1443 -4.0868 -4.0868 1.2485 1.2485 1.9910 1.9910 5.4118 5.4118 7.0608 7.0608 7.5757 7.5757 8.8149 8.8149 9.4767 9.4767 11.6558 11.6558 13.0354 13.0354 13.3803 13.3803 14.3631 14.3631 15.0288 15.0288 k =-0.1776 0.3150 0.8184 ( 4102 PWs) bands (ev): -23.9229 -23.9229 -6.9515 -6.9515 -6.8656 -6.8656 -6.8349 -6.8349 -6.8005 -6.8005 -6.7396 -6.7396 -5.7244 -5.7244 -5.6523 -5.6523 -4.5233 -4.5233 -4.4722 -4.4722 -4.2418 -4.2418 -4.1875 -4.1875 -4.1433 -4.1433 -4.0877 -4.0877 1.2402 1.2402 1.9524 1.9524 5.3962 5.3962 7.1432 7.1432 7.6518 7.6518 8.8525 8.8525 9.5317 9.5317 11.7322 11.7322 13.0111 13.0111 13.3527 13.3527 14.2171 14.2171 14.8943 14.8943 k =-0.1846 0.3275 0.8041 ( 4104 PWs) bands (ev): -23.9230 -23.9230 -6.9517 -6.9517 -6.8659 -6.8659 -6.8337 -6.8337 -6.8000 -6.8000 -6.7393 -6.7393 -5.7246 -5.7246 -5.6523 -5.6523 -4.5231 -4.5231 -4.4732 -4.4732 -4.2417 -4.2417 -4.1892 -4.1892 -4.1422 -4.1422 -4.0886 -4.0886 1.2319 1.2319 1.9157 1.9157 5.3792 5.3792 7.2206 7.2206 7.7334 7.7334 8.8901 8.8901 9.5937 9.5937 11.8122 11.8122 12.9759 12.9759 13.3239 13.3239 14.0857 14.0857 14.7415 14.7415 k =-0.1916 0.3399 0.7899 ( 4105 PWs) bands (ev): -23.9232 -23.9232 -6.9519 -6.9519 -6.8662 -6.8662 -6.8325 -6.8325 -6.7995 -6.7995 -6.7392 -6.7392 -5.7248 -5.7248 -5.6521 -5.6521 -4.5230 -4.5230 -4.4742 -4.4742 -4.2416 -4.2416 -4.1909 -4.1909 -4.1411 -4.1411 -4.0895 -4.0895 1.2237 1.2237 1.8812 1.8812 5.3612 5.3612 7.2923 7.2923 7.8200 7.8200 8.9269 8.9269 9.6635 9.6635 11.8955 11.8955 12.9252 12.9252 13.2954 13.2954 13.9732 13.9732 14.5758 14.5758 k =-0.1986 0.3523 0.7756 ( 4106 PWs) bands (ev): -23.9233 -23.9233 -6.9521 -6.9521 -6.8665 -6.8665 -6.8313 -6.8313 -6.7990 -6.7990 -6.7390 -6.7390 -5.7252 -5.7252 -5.6518 -5.6518 -4.5228 -4.5228 -4.4751 -4.4751 -4.2415 -4.2415 -4.1926 -4.1926 -4.1401 -4.1401 -4.0903 -4.0903 1.2156 1.2156 1.8488 1.8488 5.3428 5.3428 7.3574 7.3574 7.9113 7.9113 8.9627 8.9627 9.7415 9.7415 11.9814 11.9814 12.8553 12.8553 13.2689 13.2689 13.8825 13.8825 14.4018 14.4018 k =-0.2056 0.3648 0.7613 ( 4106 PWs) bands (ev): -23.9234 -23.9234 -6.9523 -6.9523 -6.8668 -6.8668 -6.8302 -6.8302 -6.7985 -6.7985 -6.7390 -6.7390 -5.7256 -5.7256 -5.6514 -5.6514 -4.5227 -4.5227 -4.4760 -4.4760 -4.2414 -4.2414 -4.1942 -4.1942 -4.1390 -4.1390 -4.0911 -4.0911 1.2079 1.2079 1.8187 1.8187 5.3242 5.3242 7.4157 7.4157 8.0064 8.0064 8.9968 8.9968 9.8281 9.8281 12.0689 12.0689 12.7660 12.7660 13.2458 13.2458 13.8131 13.8131 14.2241 14.2241 k =-0.2126 0.3772 0.7470 ( 4104 PWs) bands (ev): -23.9235 -23.9235 -6.9524 -6.9524 -6.8670 -6.8670 -6.8290 -6.8290 -6.7980 -6.7980 -6.7389 -6.7389 -5.7260 -5.7260 -5.6510 -5.6510 -4.5226 -4.5226 -4.4768 -4.4768 -4.2414 -4.2414 -4.1957 -4.1957 -4.1380 -4.1380 -4.0918 -4.0918 1.2005 1.2005 1.7908 1.7908 5.3059 5.3059 7.4669 7.4669 8.1046 8.1046 9.0292 9.0292 9.9233 9.9233 12.1560 12.1560 12.6618 12.6618 13.2260 13.2260 13.7596 13.7596 14.0491 14.0491 k =-0.2196 0.3896 0.7328 ( 4108 PWs) bands (ev): -23.9237 -23.9237 -6.9526 -6.9526 -6.8673 -6.8673 -6.8279 -6.8279 -6.7976 -6.7976 -6.7389 -6.7389 -5.7265 -5.7265 -5.6505 -5.6505 -4.5224 -4.5224 -4.4776 -4.4776 -4.2414 -4.2414 -4.1972 -4.1972 -4.1370 -4.1370 -4.0925 -4.0925 1.1936 1.1936 1.7652 1.7652 5.2883 5.2883 7.5114 7.5114 8.2046 8.2046 9.0595 9.0595 10.0265 10.0265 12.2359 12.2359 12.5540 12.5540 13.2084 13.2084 13.7043 13.7043 13.8936 13.8936 k =-0.2266 0.4021 0.7185 ( 4105 PWs) bands (ev): -23.9238 -23.9238 -6.9528 -6.9528 -6.8675 -6.8675 -6.8268 -6.8268 -6.7972 -6.7972 -6.7390 -6.7390 -5.7271 -5.7271 -5.6500 -5.6500 -4.5223 -4.5223 -4.4783 -4.4783 -4.2414 -4.2414 -4.1985 -4.1985 -4.1361 -4.1361 -4.0931 -4.0931 1.1871 1.1871 1.7419 1.7419 5.2715 5.2715 7.5496 7.5496 8.3049 8.3049 9.0880 9.0880 10.1371 10.1371 12.2762 12.2762 12.4798 12.4798 13.1911 13.1911 13.6011 13.6011 13.8032 13.8032 k =-0.2336 0.4145 0.7042 ( 4105 PWs) bands (ev): -23.9238 -23.9238 -6.9529 -6.9529 -6.8677 -6.8677 -6.8258 -6.8258 -6.7969 -6.7969 -6.7390 -6.7390 -5.7276 -5.7276 -5.6495 -5.6495 -4.5222 -4.5222 -4.4789 -4.4789 -4.2414 -4.2414 -4.1998 -4.1998 -4.1353 -4.1353 -4.0937 -4.0937 1.1812 1.1812 1.7211 1.7211 5.2558 5.2558 7.5818 7.5818 8.4038 8.4038 9.1147 9.1147 10.2539 10.2539 12.2138 12.2138 12.5063 12.5063 13.1699 13.1699 13.4535 13.4535 13.7766 13.7766 k =-0.2406 0.4269 0.6899 ( 4107 PWs) bands (ev): -23.9239 -23.9239 -6.9530 -6.9530 -6.8679 -6.8679 -6.8249 -6.8249 -6.7966 -6.7966 -6.7391 -6.7391 -5.7281 -5.7281 -5.6490 -5.6490 -4.5221 -4.5221 -4.4795 -4.4795 -4.2414 -4.2414 -4.2009 -4.2009 -4.1345 -4.1345 -4.0943 -4.0943 1.1758 1.1758 1.7026 1.7026 5.2415 5.2415 7.6088 7.6088 8.4990 8.4990 9.1399 9.1399 10.3753 10.3753 12.1020 12.1020 12.5825 12.5825 13.1291 13.1291 13.3171 13.3171 13.7737 13.7737 k =-0.2477 0.4394 0.6757 ( 4107 PWs) bands (ev): -23.9240 -23.9240 -6.9531 -6.9531 -6.8680 -6.8680 -6.8241 -6.8241 -6.7963 -6.7963 -6.7392 -6.7392 -5.7286 -5.7286 -5.6485 -5.6485 -4.5221 -4.5221 -4.4800 -4.4800 -4.2414 -4.2414 -4.2019 -4.2019 -4.1338 -4.1338 -4.0947 -4.0947 1.1711 1.1711 1.6865 1.6865 5.2287 5.2287 7.6309 7.6309 8.5881 8.5881 9.1642 9.1642 10.4993 10.4993 11.9852 11.9852 12.6630 12.6630 13.0362 13.0362 13.2424 13.2424 13.7803 13.7803 k =-0.2547 0.4518 0.6614 ( 4103 PWs) bands (ev): -23.9241 -23.9241 -6.9532 -6.9532 -6.8682 -6.8682 -6.8233 -6.8233 -6.7961 -6.7961 -6.7393 -6.7393 -5.7290 -5.7290 -5.6480 -5.6480 -4.5220 -4.5220 -4.4804 -4.4804 -4.2414 -4.2414 -4.2028 -4.2028 -4.1331 -4.1331 -4.0951 -4.0951 1.1671 1.1671 1.6729 1.6729 5.2177 5.2177 7.6488 7.6488 8.6686 8.6686 9.1876 9.1876 10.6229 10.6229 11.8749 11.8749 12.7186 12.7186 12.9261 12.9261 13.2198 13.2198 13.7914 13.7914 k =-0.2617 0.4642 0.6471 ( 4102 PWs) bands (ev): -23.9241 -23.9241 -6.9533 -6.9533 -6.8683 -6.8683 -6.8227 -6.8227 -6.7959 -6.7959 -6.7394 -6.7394 -5.7294 -5.7294 -5.6477 -5.6477 -4.5219 -4.5219 -4.4808 -4.4808 -4.2414 -4.2414 -4.2035 -4.2035 -4.1326 -4.1326 -4.0954 -4.0954 1.1637 1.1637 1.6617 1.6617 5.2085 5.2085 7.6629 7.6629 8.7375 8.7375 9.2101 9.2101 10.7422 10.7422 11.7771 11.7771 12.6742 12.6742 12.9060 12.9060 13.2181 13.2181 13.8041 13.8041 k =-0.2687 0.4767 0.6328 ( 4108 PWs) bands (ev): -23.9242 -23.9242 -6.9534 -6.9534 -6.8684 -6.8684 -6.8222 -6.8222 -6.7958 -6.7958 -6.7394 -6.7394 -5.7297 -5.7297 -5.6473 -5.6473 -4.5219 -4.5219 -4.4811 -4.4811 -4.2414 -4.2414 -4.2041 -4.2041 -4.1322 -4.1322 -4.0957 -4.0957 1.1611 1.1611 1.6531 1.6531 5.2012 5.2012 7.6735 7.6735 8.7926 8.7926 9.2310 9.2310 10.8510 10.8510 11.6964 11.6964 12.5632 12.5632 12.9515 12.9515 13.2302 13.2302 13.8162 13.8162 k =-0.2757 0.4891 0.6186 ( 4100 PWs) bands (ev): -23.9242 -23.9242 -6.9534 -6.9534 -6.8684 -6.8684 -6.8219 -6.8219 -6.7957 -6.7957 -6.7395 -6.7395 -5.7299 -5.7299 -5.6471 -5.6471 -4.5219 -4.5219 -4.4813 -4.4813 -4.2414 -4.2414 -4.2045 -4.2045 -4.1319 -4.1319 -4.0959 -4.0959 1.1592 1.1592 1.6468 1.6468 5.1960 5.1960 7.6808 7.6808 8.8324 8.8324 9.2486 9.2486 10.9411 10.9411 11.6366 11.6366 12.4599 12.4599 12.9931 12.9931 13.2535 13.2535 13.8261 13.8261 k =-0.2827 0.5015 0.6043 ( 4101 PWs) bands (ev): -23.9242 -23.9242 -6.9534 -6.9534 -6.8685 -6.8685 -6.8216 -6.8216 -6.7956 -6.7956 -6.7395 -6.7395 -5.7300 -5.7300 -5.6470 -5.6470 -4.5219 -4.5219 -4.4814 -4.4814 -4.2414 -4.2414 -4.2047 -4.2047 -4.1317 -4.1317 -4.0960 -4.0960 1.1580 1.1580 1.6431 1.6431 5.1928 5.1928 7.6852 7.6852 8.8563 8.8563 9.2605 9.2605 11.0018 11.0018 11.6004 11.6004 12.3883 12.3883 13.0173 13.0173 13.2786 13.2786 13.8326 13.8326 k =-0.2897 0.5140 0.5900 ( 4105 PWs) bands (ev): -23.9242 -23.9242 -6.9534 -6.9534 -6.8685 -6.8685 -6.8216 -6.8216 -6.7956 -6.7956 -6.7395 -6.7395 -5.7301 -5.7301 -5.6469 -5.6469 -4.5218 -4.5218 -4.4814 -4.4814 -4.2414 -4.2414 -4.2048 -4.2048 -4.1317 -4.1317 -4.0960 -4.0960 1.1577 1.1577 1.6419 1.6419 5.1917 5.1917 7.6866 7.6866 8.8642 8.8642 9.2648 9.2648 11.0234 11.0234 11.5885 11.5885 12.3625 12.3625 13.0249 13.0249 13.2899 13.2899 13.8349 13.8349 k =-0.2897 0.5140 0.5900 ( 4105 PWs) bands (ev): -23.9242 -23.9242 -6.9534 -6.9534 -6.8685 -6.8685 -6.8216 -6.8216 -6.7956 -6.7956 -6.7395 -6.7395 -5.7301 -5.7301 -5.6469 -5.6469 -4.5218 -4.5218 -4.4814 -4.4814 -4.2414 -4.2414 -4.2048 -4.2048 -4.1317 -4.1317 -4.0960 -4.0960 1.1577 1.1577 1.6419 1.6419 5.1917 5.1917 7.6866 7.6866 8.8642 8.8642 9.2648 9.2648 11.0234 11.0234 11.5885 11.5885 12.3625 12.3625 13.0249 13.0249 13.2899 13.2899 13.8349 13.8349 k =-0.2826 0.5014 0.5756 ( 4109 PWs) bands (ev): -23.9242 -23.9242 -6.9537 -6.9537 -6.8682 -6.8682 -6.8219 -6.8219 -6.7953 -6.7953 -6.7399 -6.7399 -5.7311 -5.7311 -5.6465 -5.6465 -4.5224 -4.5224 -4.4810 -4.4810 -4.2402 -4.2402 -4.2048 -4.2048 -4.1328 -4.1328 -4.0961 -4.0961 1.1288 1.1288 1.7092 1.7092 5.1792 5.1792 7.6013 7.6013 8.8535 8.8535 9.2425 9.2425 10.9268 10.9268 11.6637 11.6637 12.2969 12.2969 13.0842 13.0842 13.3641 13.3641 13.8422 13.8422 k =-0.2756 0.4889 0.5612 ( 4109 PWs) bands (ev): -23.9241 -23.9241 -6.9540 -6.9540 -6.8681 -6.8681 -6.8221 -6.8221 -6.7950 -6.7950 -6.7403 -6.7403 -5.7319 -5.7319 -5.6460 -5.6460 -4.5229 -4.5229 -4.4805 -4.4805 -4.2392 -4.2392 -4.2047 -4.2047 -4.1339 -4.1339 -4.0961 -4.0961 1.0956 1.0956 1.7777 1.7777 5.1751 5.1751 7.5199 7.5199 8.8256 8.8256 9.2389 9.2389 10.8300 10.8300 11.7419 11.7419 12.2336 12.2336 13.1472 13.1472 13.4418 13.4418 13.8482 13.8482 k =-0.2685 0.4764 0.5468 ( 4101 PWs) bands (ev): -23.9241 -23.9241 -6.9543 -6.9543 -6.8681 -6.8681 -6.8220 -6.8220 -6.7948 -6.7948 -6.7406 -6.7406 -5.7324 -5.7324 -5.6456 -5.6456 -4.5234 -4.5234 -4.4799 -4.4799 -4.2384 -4.2384 -4.2047 -4.2047 -4.1351 -4.1351 -4.0962 -4.0962 1.0583 1.0583 1.8472 1.8472 5.1790 5.1790 7.4425 7.4425 8.7833 8.7833 9.2518 9.2518 10.7337 10.7337 11.8226 11.8226 12.1726 12.1726 13.2135 13.2135 13.5223 13.5223 13.8569 13.8569 k =-0.2614 0.4638 0.5325 ( 4097 PWs) bands (ev): -23.9240 -23.9240 -6.9545 -6.9545 -6.8683 -6.8683 -6.8218 -6.8218 -6.7946 -6.7946 -6.7408 -6.7408 -5.7327 -5.7327 -5.6452 -5.6452 -4.5239 -4.5239 -4.4792 -4.4792 -4.2378 -4.2378 -4.2047 -4.2047 -4.1363 -4.1363 -4.0962 -4.0962 1.0171 1.0171 1.9175 1.9175 5.1904 5.1904 7.3695 7.3695 8.7316 8.7316 9.2768 9.2768 10.6381 10.6381 11.9055 11.9055 12.1139 12.1139 13.2827 13.2827 13.6051 13.6051 13.8694 13.8694 k =-0.2544 0.4513 0.5181 ( 4093 PWs) bands (ev): -23.9240 -23.9240 -6.9548 -6.9548 -6.8685 -6.8685 -6.8214 -6.8214 -6.7945 -6.7945 -6.7409 -6.7409 -5.7328 -5.7328 -5.6448 -5.6448 -4.5244 -4.5244 -4.4783 -4.4783 -4.2373 -4.2373 -4.2047 -4.2047 -4.1375 -4.1375 -4.0963 -4.0963 0.9724 0.9724 1.9885 1.9885 5.2086 5.2086 7.3012 7.3012 8.6750 8.6750 9.3100 9.3100 10.5435 10.5435 11.9901 11.9901 12.0575 12.0575 13.3543 13.3543 13.6895 13.6895 13.8859 13.8859 k =-0.2473 0.4388 0.5037 ( 4093 PWs) bands (ev): -23.9240 -23.9240 -6.9550 -6.9550 -6.8688 -6.8688 -6.8208 -6.8208 -6.7944 -6.7944 -6.7410 -6.7410 -5.7327 -5.7327 -5.6445 -5.6445 -4.5249 -4.5249 -4.4773 -4.4773 -4.2370 -4.2370 -4.2048 -4.2048 -4.1388 -4.1388 -4.0963 -4.0963 0.9245 0.9245 2.0600 2.0600 5.2330 5.2330 7.2378 7.2378 8.6166 8.6166 9.3489 9.3489 10.4502 10.4502 12.0025 12.0025 12.0768 12.0768 13.4277 13.4277 13.7743 13.7743 13.9074 13.9074 k =-0.2403 0.4262 0.4893 ( 4085 PWs) bands (ev): -23.9240 -23.9240 -6.9551 -6.9551 -6.8692 -6.8692 -6.8201 -6.8201 -6.7944 -6.7944 -6.7410 -6.7410 -5.7324 -5.7324 -5.6441 -5.6441 -4.5253 -4.5253 -4.4762 -4.4762 -4.2369 -4.2369 -4.2048 -4.2048 -4.1401 -4.1401 -4.0963 -4.0963 0.8739 0.8739 2.1317 2.1317 5.2628 5.2628 7.1795 7.1795 8.5589 8.5589 9.3916 9.3916 10.3585 10.3585 11.9503 11.9503 12.1635 12.1635 13.5020 13.5020 13.8564 13.8564 13.9362 13.9362 k =-0.2332 0.4137 0.4749 ( 4081 PWs) bands (ev): -23.9241 -23.9241 -6.9553 -6.9553 -6.8696 -6.8696 -6.8193 -6.8193 -6.7944 -6.7944 -6.7409 -6.7409 -5.7318 -5.7318 -5.6438 -5.6438 -4.5258 -4.5258 -4.4750 -4.4750 -4.2370 -4.2370 -4.2049 -4.2049 -4.1414 -4.1414 -4.0963 -4.0963 0.8209 0.8209 2.2035 2.2035 5.2972 5.2972 7.1267 7.1267 8.5033 8.5033 9.4373 9.4373 10.2686 10.2686 11.9000 11.9000 12.2506 12.2506 13.5763 13.5763 13.9242 13.9242 13.9833 13.9833 k =-0.2261 0.4012 0.4605 ( 4093 PWs) bands (ev): -23.9241 -23.9241 -6.9555 -6.9555 -6.8700 -6.8700 -6.8183 -6.8183 -6.7945 -6.7945 -6.7407 -6.7407 -5.7310 -5.7310 -5.6435 -5.6435 -4.5262 -4.5262 -4.4737 -4.4737 -4.2373 -4.2373 -4.2049 -4.2049 -4.1427 -4.1427 -4.0963 -4.0963 0.7659 0.7659 2.2750 2.2750 5.3352 5.3352 7.0797 7.0797 8.4511 8.4511 9.4852 9.4852 10.1807 10.1807 11.8517 11.8517 12.3372 12.3372 13.6490 13.6490 13.9688 13.9688 14.0567 14.0567 k =-0.2191 0.3886 0.4461 ( 4089 PWs) bands (ev): -23.9242 -23.9242 -6.9556 -6.9556 -6.8705 -6.8705 -6.8173 -6.8173 -6.7946 -6.7946 -6.7405 -6.7405 -5.7300 -5.7300 -5.6432 -5.6432 -4.5266 -4.5266 -4.4723 -4.4723 -4.2378 -4.2378 -4.2050 -4.2050 -4.1441 -4.1441 -4.0962 -4.0962 0.7094 0.7094 2.3461 2.3461 5.3758 5.3758 7.0387 7.0387 8.4035 8.4035 9.5347 9.5347 10.0951 10.0951 11.8052 11.8052 12.4223 12.4223 13.7185 13.7185 14.0069 14.0069 14.1388 14.1388 k =-0.2120 0.3761 0.4317 ( 4085 PWs) bands (ev): -23.9242 -23.9242 -6.9557 -6.9557 -6.8710 -6.8710 -6.8162 -6.8162 -6.7948 -6.7948 -6.7402 -6.7402 -5.7288 -5.7288 -5.6429 -5.6429 -4.5270 -4.5270 -4.4708 -4.4708 -4.2385 -4.2385 -4.2051 -4.2051 -4.1454 -4.1454 -4.0962 -4.0962 0.6517 0.6517 2.4163 2.4163 5.4182 5.4182 7.0040 7.0040 8.3615 8.3615 9.5851 9.5851 10.0123 10.0123 11.7606 11.7606 12.5046 12.5046 13.7825 13.7825 14.0461 14.0461 14.2209 14.2209 k =-0.2049 0.3636 0.4173 ( 4085 PWs) bands (ev): -23.9243 -23.9243 -6.9558 -6.9558 -6.8714 -6.8714 -6.8151 -6.8151 -6.7950 -6.7950 -6.7399 -6.7399 -5.7274 -5.7274 -5.6427 -5.6427 -4.5274 -4.5274 -4.4691 -4.4691 -4.2393 -4.2393 -4.2053 -4.2053 -4.1468 -4.1468 -4.0961 -4.0961 0.5932 0.5932 2.4856 2.4856 5.4612 5.4612 6.9760 6.9760 8.3260 8.3260 9.6354 9.6354 9.9332 9.9332 11.7177 11.7177 12.5828 12.5828 13.8387 13.8387 14.0881 14.0881 14.3007 14.3007 k =-0.1979 0.3510 0.4029 ( 4085 PWs) bands (ev): -23.9244 -23.9244 -6.9558 -6.9558 -6.8719 -6.8719 -6.8138 -6.8138 -6.7952 -6.7952 -6.7395 -6.7395 -5.7259 -5.7259 -5.6424 -5.6424 -4.5278 -4.5278 -4.4674 -4.4674 -4.2404 -4.2404 -4.2054 -4.2054 -4.1482 -4.1482 -4.0960 -4.0960 0.5342 0.5342 2.5535 2.5535 5.5039 5.5039 6.9549 6.9549 8.2979 8.2979 9.6819 9.6819 9.8614 9.8614 11.6764 11.6764 12.6548 12.6548 13.8857 13.8857 14.1336 14.1336 14.3775 14.3775 k =-0.1908 0.3385 0.3885 ( 4085 PWs) bands (ev): -23.9245 -23.9245 -6.9559 -6.9559 -6.8723 -6.8723 -6.8126 -6.8126 -6.7954 -6.7954 -6.7392 -6.7392 -5.7241 -5.7241 -5.6421 -5.6421 -4.5281 -4.5281 -4.4656 -4.4656 -4.2415 -4.2415 -4.2056 -4.2056 -4.1496 -4.1496 -4.0958 -4.0958 0.4750 0.4750 2.6199 2.6199 5.5451 5.5451 6.9409 6.9409 8.2782 8.2782 9.7054 9.7054 9.8160 9.8160 11.6368 11.6368 12.7182 12.7182 13.9239 13.9239 14.1828 14.1828 14.4506 14.4506 k =-0.1837 0.3259 0.3742 ( 4077 PWs) bands (ev): -23.9246 -23.9246 -6.9559 -6.9559 -6.8726 -6.8726 -6.8113 -6.8113 -6.7957 -6.7957 -6.7388 -6.7388 -5.7222 -5.7222 -5.6418 -5.6418 -4.5285 -4.5285 -4.4638 -4.4638 -4.2429 -4.2429 -4.2057 -4.2057 -4.1510 -4.1510 -4.0957 -4.0957 0.4160 0.4160 2.6843 2.6843 5.5839 5.5839 6.9342 6.9342 8.2676 8.2676 9.6684 9.6684 9.8345 9.8345 11.5986 11.5986 12.7704 12.7704 13.9568 13.9568 14.2356 14.2356 14.5175 14.5175 k =-0.1767 0.3134 0.3598 ( 4073 PWs) bands (ev): -23.9247 -23.9247 -6.9559 -6.9559 -6.8730 -6.8730 -6.8099 -6.8099 -6.7960 -6.7960 -6.7384 -6.7384 -5.7202 -5.7202 -5.6415 -5.6415 -4.5288 -4.5288 -4.4618 -4.4618 -4.2444 -4.2444 -4.2059 -4.2059 -4.1525 -4.1525 -4.0955 -4.0955 0.3575 0.3575 2.7465 2.7465 5.6195 5.6195 6.9351 6.9351 8.2669 8.2669 9.6052 9.6052 9.8826 9.8826 11.5617 11.5617 12.8089 12.8089 13.9894 13.9894 14.2916 14.2916 14.5687 14.5687 k =-0.1696 0.3009 0.3454 ( 4077 PWs) bands (ev): -23.9248 -23.9248 -6.9559 -6.9559 -6.8733 -6.8733 -6.8086 -6.8086 -6.7962 -6.7962 -6.7381 -6.7381 -5.7180 -5.7180 -5.6412 -5.6412 -4.5291 -4.5291 -4.4598 -4.4598 -4.2460 -4.2460 -4.2061 -4.2061 -4.1539 -4.1539 -4.0953 -4.0953 0.2996 0.2996 2.8063 2.8063 5.6511 5.6511 6.9436 6.9436 8.2767 8.2767 9.5386 9.5386 9.9372 9.9372 11.5262 11.5262 12.8316 12.8316 14.0274 14.0274 14.3498 14.3498 14.5793 14.5793 k =-0.1625 0.2883 0.3310 ( 4085 PWs) bands (ev): -23.9250 -23.9250 -6.9559 -6.9559 -6.8736 -6.8736 -6.8072 -6.8072 -6.7965 -6.7965 -6.7378 -6.7378 -5.7157 -5.7157 -5.6408 -5.6408 -4.5295 -4.5295 -4.4578 -4.4578 -4.2477 -4.2477 -4.2063 -4.2063 -4.1553 -4.1553 -4.0950 -4.0950 0.2426 0.2426 2.8634 2.8634 5.6782 5.6782 6.9597 6.9597 8.2976 8.2976 9.4730 9.4730 9.9941 9.9941 11.4917 11.4917 12.8379 12.8379 14.0748 14.0748 14.4041 14.4041 14.5224 14.5224 k =-0.1555 0.2758 0.3166 ( 4081 PWs) bands (ev): -23.9251 -23.9251 -6.9559 -6.9559 -6.8738 -6.8738 -6.8058 -6.8058 -6.7967 -6.7967 -6.7376 -6.7376 -5.7133 -5.7133 -5.6404 -5.6404 -4.5298 -4.5298 -4.4557 -4.4557 -4.2496 -4.2496 -4.2065 -4.2065 -4.1567 -4.1567 -4.0948 -4.0948 0.1868 0.1868 2.9176 2.9176 5.7004 5.7004 6.9835 6.9835 8.3296 8.3296 9.4095 9.4095 10.0522 10.0522 11.4582 11.4582 12.8285 12.8285 14.1320 14.1320 14.3643 14.3643 14.4989 14.4989 k =-0.1484 0.2633 0.3022 ( 4075 PWs) bands (ev): -23.9253 -23.9253 -6.9559 -6.9559 -6.8740 -6.8740 -6.8044 -6.8044 -6.7969 -6.7969 -6.7375 -6.7375 -5.7108 -5.7108 -5.6399 -5.6399 -4.5300 -4.5300 -4.4536 -4.4536 -4.2515 -4.2515 -4.2067 -4.2067 -4.1580 -4.1580 -4.0945 -4.0945 0.1323 0.1323 2.9687 2.9687 5.7176 5.7176 7.0148 7.0148 8.3729 8.3729 9.3484 9.3484 10.1110 10.1110 11.4255 11.4255 12.8054 12.8054 14.1679 14.1679 14.2438 14.2438 14.5593 14.5593 k =-0.1413 0.2507 0.2878 ( 4069 PWs) bands (ev): -23.9254 -23.9254 -6.9558 -6.9558 -6.8742 -6.8742 -6.8030 -6.8030 -6.7971 -6.7971 -6.7374 -6.7374 -5.7083 -5.7083 -5.6394 -5.6394 -4.5303 -4.5303 -4.4515 -4.4515 -4.2535 -4.2535 -4.2070 -4.2070 -4.1594 -4.1594 -4.0941 -4.0941 0.0793 0.0793 3.0166 3.0166 5.7299 5.7299 7.0535 7.0535 8.4271 8.4271 9.2901 9.2901 10.1702 10.1702 11.3933 11.3933 12.7711 12.7711 14.0179 14.0179 14.2986 14.2986 14.6288 14.6288 k =-0.1343 0.2382 0.2734 ( 4065 PWs) bands (ev): -23.9256 -23.9256 -6.9558 -6.9558 -6.8743 -6.8743 -6.8017 -6.8017 -6.7970 -6.7970 -6.7374 -6.7374 -5.7057 -5.7057 -5.6389 -5.6389 -4.5306 -4.5306 -4.4493 -4.4493 -4.2556 -4.2556 -4.2072 -4.2072 -4.1607 -4.1607 -4.0938 -4.0938 0.0279 0.0279 3.0612 3.0612 5.7375 5.7375 7.0996 7.0996 8.4918 8.4918 9.2349 9.2349 10.2297 10.2297 11.3615 11.3615 12.7285 12.7285 13.8341 13.8341 14.3884 14.3884 14.7016 14.7016 k =-0.1272 0.2257 0.2590 ( 4073 PWs) bands (ev): -23.9257 -23.9257 -6.9557 -6.9557 -6.8744 -6.8744 -6.8007 -6.8007 -6.7967 -6.7967 -6.7376 -6.7376 -5.7032 -5.7032 -5.6383 -5.6383 -4.5308 -4.5308 -4.4472 -4.4472 -4.2577 -4.2577 -4.2074 -4.2074 -4.1620 -4.1620 -4.0934 -4.0934 -0.0216 -0.0216 3.1024 3.1024 5.7408 5.7408 7.1527 7.1527 8.5660 8.5660 9.1829 9.1829 10.2893 10.2893 11.3296 11.3296 12.6798 12.6798 13.6456 13.6456 14.4877 14.4877 14.7764 14.7764 k =-0.1201 0.2131 0.2446 ( 4087 PWs) bands (ev): -23.9259 -23.9259 -6.9557 -6.9557 -6.8744 -6.8744 -6.8001 -6.8001 -6.7959 -6.7959 -6.7378 -6.7378 -5.7006 -5.7006 -5.6376 -5.6376 -4.5310 -4.5310 -4.4451 -4.4451 -4.2599 -4.2599 -4.2077 -4.2077 -4.1633 -4.1633 -4.0931 -4.0931 -0.0691 -0.0691 3.1402 3.1402 5.7404 5.7404 7.2128 7.2128 8.6485 8.6485 9.1349 9.1349 10.3489 10.3489 11.2972 11.2972 12.6270 12.6270 13.4563 13.4563 14.5935 14.5935 14.8522 14.8522 k =-0.1131 0.2006 0.2302 ( 4085 PWs) bands (ev): -23.9261 -23.9261 -6.9556 -6.9556 -6.8745 -6.8745 -6.7999 -6.7999 -6.7946 -6.7946 -6.7381 -6.7381 -5.6982 -5.6982 -5.6369 -5.6369 -4.5312 -4.5312 -4.4431 -4.4431 -4.2620 -4.2620 -4.2079 -4.2079 -4.1645 -4.1645 -4.0927 -4.0927 -0.1145 -0.1145 3.1746 3.1746 5.7366 5.7366 7.2795 7.2795 8.7372 8.7372 9.0919 9.0919 10.4084 10.4084 11.2638 11.2638 12.5715 12.5715 13.2687 13.2687 14.7043 14.7043 14.9276 14.9276 k =-0.1060 0.1880 0.2159 ( 4083 PWs) bands (ev): -23.9262 -23.9262 -6.9555 -6.9555 -6.8745 -6.8745 -6.8000 -6.8000 -6.7931 -6.7931 -6.7386 -6.7386 -5.6958 -5.6958 -5.6360 -5.6360 -4.5314 -4.5314 -4.4411 -4.4411 -4.2642 -4.2642 -4.2082 -4.2082 -4.1656 -4.1656 -4.0923 -4.0923 -0.1577 -0.1577 3.2059 3.2059 5.7302 5.7302 7.3525 7.3525 8.8275 8.8275 9.0577 9.0577 10.4679 10.4679 11.2288 11.2288 12.5146 12.5146 13.0848 13.0848 14.8188 14.8188 14.9998 14.9998 k =-0.0989 0.1755 0.2015 ( 4083 PWs) bands (ev): -23.9264 -23.9264 -6.9555 -6.9555 -6.8745 -6.8745 -6.8001 -6.8001 -6.7914 -6.7914 -6.7392 -6.7392 -5.6935 -5.6935 -5.6352 -5.6352 -4.5316 -4.5316 -4.4391 -4.4391 -4.2663 -4.2663 -4.2084 -4.2084 -4.1667 -4.1667 -4.0919 -4.0919 -0.1986 -0.1986 3.2340 3.2340 5.7215 5.7215 7.4314 7.4314 8.9015 8.9015 9.0491 9.0491 10.5272 10.5272 11.1913 11.1913 12.4568 12.4568 12.9063 12.9063 14.9361 14.9361 15.0597 15.0597 k =-0.0919 0.1630 0.1871 ( 4089 PWs) bands (ev): -23.9265 -23.9265 -6.9554 -6.9554 -6.8745 -6.8745 -6.8002 -6.8002 -6.7896 -6.7896 -6.7399 -6.7399 -5.6913 -5.6913 -5.6342 -5.6342 -4.5318 -4.5318 -4.4373 -4.4373 -4.2684 -4.2684 -4.2087 -4.2087 -4.1678 -4.1678 -4.0915 -4.0915 -0.2371 -0.2371 3.2590 3.2590 5.7113 5.7113 7.5157 7.5157 8.9196 8.9196 9.1044 9.1044 10.5865 10.5865 11.1502 11.1502 12.3987 12.3987 12.7353 12.7353 15.0452 15.0452 15.0597 15.0597 k =-0.0848 0.1504 0.1727 ( 4085 PWs) bands (ev): -23.9266 -23.9266 -6.9553 -6.9553 -6.8744 -6.8744 -6.8004 -6.8004 -6.7878 -6.7878 -6.7407 -6.7407 -5.6893 -5.6893 -5.6332 -5.6332 -4.5319 -4.5319 -4.4355 -4.4355 -4.2704 -4.2704 -4.2089 -4.2089 -4.1688 -4.1688 -4.0911 -4.0911 -0.2731 -0.2731 3.2813 3.2813 5.6999 5.6999 7.6047 7.6047 8.9020 8.9020 9.2024 9.2024 10.6458 10.6458 11.1044 11.1044 12.3403 12.3403 12.5742 12.5742 14.9280 14.9280 15.1759 15.1759 k =-0.0777 0.1379 0.1583 ( 4089 PWs) bands (ev): -23.9268 -23.9268 -6.9553 -6.9553 -6.8744 -6.8744 -6.8006 -6.8006 -6.7859 -6.7859 -6.7417 -6.7417 -5.6874 -5.6874 -5.6322 -5.6322 -4.5321 -4.5321 -4.4338 -4.4338 -4.2723 -4.2723 -4.2091 -4.2091 -4.1698 -4.1698 -4.0907 -4.0907 -0.3065 -0.3065 3.3009 3.3009 5.6879 5.6879 7.6974 7.6974 8.8784 8.8784 9.3121 9.3121 10.7051 10.7051 11.0527 11.0527 12.2806 12.2806 12.4261 12.4261 14.7781 14.7781 15.2720 15.2720 k =-0.0707 0.1254 0.1439 ( 4077 PWs) bands (ev): -23.9269 -23.9269 -6.9552 -6.9552 -6.8743 -6.8743 -6.8008 -6.8008 -6.7840 -6.7840 -6.7427 -6.7427 -5.6857 -5.6857 -5.6311 -5.6311 -4.5322 -4.5322 -4.4322 -4.4322 -4.2741 -4.2741 -4.2093 -4.2093 -4.1706 -4.1706 -4.0904 -4.0904 -0.3372 -0.3372 3.3180 3.3180 5.6756 5.6756 7.7929 7.7929 8.8560 8.8560 9.4249 9.4249 10.7643 10.7643 10.9943 10.9943 12.2159 12.2159 12.2970 12.2970 14.6212 14.6212 15.2998 15.2998 k =-0.0636 0.1128 0.1295 ( 4081 PWs) bands (ev): -23.9270 -23.9270 -6.9551 -6.9551 -6.8742 -6.8742 -6.8009 -6.8009 -6.7821 -6.7821 -6.7439 -6.7439 -5.6842 -5.6842 -5.6301 -5.6301 -4.5323 -4.5323 -4.4307 -4.4307 -4.2758 -4.2758 -4.2095 -4.2095 -4.1714 -4.1714 -4.0900 -4.0900 -0.3652 -0.3652 3.3328 3.3328 5.6635 5.6635 7.8896 7.8896 8.8374 8.8374 9.5370 9.5370 10.8190 10.8190 10.9329 10.9329 12.1344 12.1344 12.2004 12.2004 14.4636 14.4636 15.3117 15.3117 k =-0.0565 0.1003 0.1151 ( 4095 PWs) bands (ev): -23.9271 -23.9271 -6.9551 -6.9551 -6.8742 -6.8742 -6.8011 -6.8011 -6.7802 -6.7802 -6.7451 -6.7451 -5.6828 -5.6828 -5.6290 -5.6290 -4.5324 -4.5324 -4.4294 -4.4294 -4.2774 -4.2774 -4.2096 -4.2096 -4.1722 -4.1722 -4.0897 -4.0897 -0.3905 -0.3905 3.3455 3.3455 5.6518 5.6518 7.9856 7.9856 8.8238 8.8238 9.6457 9.6457 10.8206 10.8206 10.9176 10.9176 12.0415 12.0415 12.1318 12.1318 14.3093 14.3093 15.3103 15.3103 k =-0.0495 0.0878 0.1007 ( 4095 PWs) bands (ev): -23.9272 -23.9272 -6.9550 -6.9550 -6.8741 -6.8741 -6.8012 -6.8012 -6.7783 -6.7783 -6.7464 -6.7464 -5.6816 -5.6816 -5.6280 -5.6280 -4.5325 -4.5325 -4.4282 -4.4282 -4.2788 -4.2788 -4.2098 -4.2098 -4.1728 -4.1728 -4.0894 -4.0894 -0.4128 -0.4128 3.3563 3.3563 5.6408 5.6408 8.0785 8.0785 8.8167 8.8167 9.7485 9.7485 10.7455 10.7455 10.9738 10.9738 11.9577 11.9577 12.0706 12.0706 14.1616 14.1616 15.3001 15.3001 k =-0.0424 0.0752 0.0863 ( 4091 PWs) bands (ev): -23.9273 -23.9273 -6.9550 -6.9550 -6.8741 -6.8741 -6.8013 -6.8013 -6.7764 -6.7764 -6.7478 -6.7478 -5.6806 -5.6806 -5.6271 -5.6271 -4.5325 -4.5325 -4.4271 -4.4271 -4.2800 -4.2800 -4.2099 -4.2099 -4.1734 -4.1734 -4.0892 -4.0892 -0.4323 -0.4323 3.3653 3.3653 5.6309 5.6309 8.1651 8.1651 8.8173 8.8173 9.8429 9.8429 10.6551 10.6551 11.0430 11.0430 11.8882 11.8882 12.0099 12.0099 14.0238 14.0238 15.2852 15.2852 k =-0.0353 0.0627 0.0720 ( 4079 PWs) bands (ev): -23.9274 -23.9274 -6.9550 -6.9550 -6.8740 -6.8740 -6.8014 -6.8014 -6.7746 -6.7746 -6.7491 -6.7491 -5.6798 -5.6798 -5.6263 -5.6263 -4.5326 -4.5326 -4.4262 -4.4262 -4.2811 -4.2811 -4.2100 -4.2100 -4.1739 -4.1739 -4.0889 -4.0889 -0.4489 -0.4489 3.3727 3.3727 5.6221 5.6221 8.2416 8.2416 8.8271 8.8271 9.9265 9.9265 10.5609 10.5609 11.1182 11.1182 11.8326 11.8326 11.9479 11.9479 13.8992 13.8992 15.2689 15.2689 k =-0.0283 0.0501 0.0576 ( 4079 PWs) bands (ev): -23.9274 -23.9274 -6.9549 -6.9549 -6.8740 -6.8740 -6.8015 -6.8015 -6.7729 -6.7729 -6.7504 -6.7504 -5.6791 -5.6791 -5.6256 -5.6256 -4.5327 -4.5327 -4.4254 -4.4254 -4.2820 -4.2820 -4.2101 -4.2101 -4.1743 -4.1743 -4.0887 -4.0887 -0.4625 -0.4625 3.3786 3.3786 5.6147 5.6147 8.3046 8.3046 8.8462 8.8462 9.9972 9.9972 10.4690 10.4690 11.1983 11.1983 11.7884 11.7884 11.8842 11.8842 13.7911 13.7911 15.2533 15.2533 k =-0.0212 0.0376 0.0432 ( 4083 PWs) bands (ev): -23.9275 -23.9275 -6.9549 -6.9549 -6.8739 -6.8739 -6.8016 -6.8016 -6.7713 -6.7713 -6.7517 -6.7517 -5.6786 -5.6786 -5.6250 -5.6250 -4.5327 -4.5327 -4.4248 -4.4248 -4.2827 -4.2827 -4.2102 -4.2102 -4.1746 -4.1746 -4.0886 -4.0886 -0.4731 -0.4731 3.3830 3.3830 5.6089 5.6089 8.3519 8.3519 8.8724 8.8724 10.0533 10.0533 10.3860 10.3860 11.2824 11.2824 11.7503 11.7503 11.8215 11.8215 13.7029 13.7029 15.2399 15.2399 k =-0.0141 0.0251 0.0288 ( 4083 PWs) bands (ev): -23.9275 -23.9275 -6.9549 -6.9549 -6.8739 -6.8739 -6.8016 -6.8016 -6.7701 -6.7701 -6.7527 -6.7527 -5.6782 -5.6782 -5.6246 -5.6246 -4.5327 -4.5327 -4.4244 -4.4244 -4.2832 -4.2832 -4.2102 -4.2102 -4.1749 -4.1749 -4.0885 -4.0885 -0.4807 -0.4807 3.3862 3.3862 5.6046 5.6046 8.3835 8.3835 8.9001 8.9001 10.0937 10.0937 10.3190 10.3190 11.3687 11.3687 11.7033 11.7033 11.7732 11.7732 13.6374 13.6374 15.2298 15.2298 k =-0.0071 0.0125 0.0144 ( 4089 PWs) bands (ev): -23.9275 -23.9275 -6.9549 -6.9549 -6.8739 -6.8739 -6.8017 -6.8017 -6.7693 -6.7693 -6.7534 -6.7534 -5.6780 -5.6780 -5.6243 -5.6243 -4.5327 -4.5327 -4.4241 -4.4241 -4.2835 -4.2835 -4.2103 -4.2103 -4.1750 -4.1750 -4.0884 -4.0884 -0.4852 -0.4852 3.3880 3.3880 5.6020 5.6020 8.4012 8.4012 8.9214 8.9214 10.1178 10.1178 10.2753 10.2753 11.4535 11.4535 11.6370 11.6370 11.7506 11.7506 13.5970 13.5970 15.2235 15.2235 k = 0.0000 0.0000 0.0000 ( 4095 PWs) bands (ev): -23.9276 -23.9276 -6.9549 -6.9549 -6.8739 -6.8739 -6.8017 -6.8017 -6.7690 -6.7690 -6.7537 -6.7537 -5.6779 -5.6779 -5.6243 -5.6243 -4.5327 -4.5327 -4.4240 -4.4240 -4.2836 -4.2836 -4.2103 -4.2103 -4.1751 -4.1751 -4.0884 -4.0884 -0.4867 -0.4867 3.3886 3.3886 5.6011 5.6011 8.4069 8.4069 8.9295 8.9295 10.1257 10.1257 10.2601 10.2601 11.5113 11.5113 11.5841 11.5841 11.7445 11.7445 13.5834 13.5834 15.2214 15.2214 k = 0.0000 0.0000 0.0000 ( 4095 PWs) bands (ev): -23.9276 -23.9276 -6.9549 -6.9549 -6.8739 -6.8739 -6.8017 -6.8017 -6.7690 -6.7690 -6.7537 -6.7537 -5.6779 -5.6779 -5.6243 -5.6243 -4.5327 -4.5327 -4.4240 -4.4240 -4.2836 -4.2836 -4.2103 -4.2103 -4.1751 -4.1751 -4.0884 -4.0884 -0.4867 -0.4867 3.3886 3.3886 5.6011 5.6011 8.4069 8.4069 8.9295 8.9295 10.1257 10.1257 10.2601 10.2601 11.5113 11.5113 11.5841 11.5841 11.7445 11.7445 13.5834 13.5834 15.2214 15.2214 k = 0.0172 0.0097 0.0000 ( 4087 PWs) bands (ev): -23.9275 -23.9275 -6.9549 -6.9549 -6.8739 -6.8739 -6.8017 -6.8017 -6.7690 -6.7690 -6.7537 -6.7537 -5.6779 -5.6779 -5.6243 -5.6243 -4.5327 -4.5327 -4.4242 -4.4242 -4.2837 -4.2837 -4.2103 -4.2103 -4.1748 -4.1748 -4.0884 -4.0884 -0.4852 -0.4852 3.3784 3.3784 5.6138 5.6138 8.4054 8.4054 8.9287 8.9287 10.1286 10.1286 10.2576 10.2576 11.5135 11.5135 11.5890 11.5890 11.7390 11.7390 13.5900 13.5900 15.2218 15.2218 k = 0.0345 0.0194 0.0000 ( 4099 PWs) bands (ev): -23.9276 -23.9276 -6.9548 -6.9548 -6.8740 -6.8740 -6.8018 -6.8018 -6.7689 -6.7689 -6.7537 -6.7537 -5.6779 -5.6779 -5.6246 -5.6246 -4.5324 -4.5324 -4.4247 -4.4247 -4.2837 -4.2837 -4.2105 -4.2105 -4.1740 -4.1740 -4.0885 -4.0885 -0.4807 -0.4807 3.3484 3.3484 5.6510 5.6510 8.4008 8.4008 8.9263 8.9263 10.1373 10.1373 10.2503 10.2503 11.5199 11.5199 11.6034 11.6034 11.7227 11.7227 13.6093 13.6093 15.2231 15.2231 k = 0.0517 0.0292 0.0000 ( 4083 PWs) bands (ev): -23.9275 -23.9275 -6.9548 -6.9548 -6.8742 -6.8742 -6.8019 -6.8019 -6.7688 -6.7688 -6.7536 -6.7536 -5.6779 -5.6779 -5.6249 -5.6249 -4.5320 -4.5320 -4.4254 -4.4254 -4.2839 -4.2839 -4.2107 -4.2107 -4.1728 -4.1728 -4.0885 -4.0885 -0.4731 -0.4731 3.3006 3.3006 5.7109 5.7109 8.3933 8.3933 8.9224 8.9224 10.1517 10.1517 10.2384 10.2384 11.5305 11.5305 11.6269 11.6269 11.6967 11.6967 13.6404 13.6404 15.2252 15.2252 k = 0.0690 0.0389 0.0000 ( 4083 PWs) bands (ev): -23.9275 -23.9275 -6.9547 -6.9547 -6.8745 -6.8745 -6.8020 -6.8020 -6.7687 -6.7687 -6.7536 -6.7536 -5.6778 -5.6778 -5.6255 -5.6255 -4.5315 -4.5315 -4.4265 -4.4265 -4.2841 -4.2841 -4.2110 -4.2110 -4.1711 -4.1711 -4.0886 -4.0886 -0.4625 -0.4625 3.2374 3.2374 5.7908 5.7908 8.3832 8.3832 8.9171 8.9171 10.1714 10.1714 10.2226 10.2226 11.5452 11.5452 11.6591 11.6591 11.6622 11.6622 13.6818 13.6818 15.2281 15.2281 k = 0.0862 0.0486 0.0000 ( 4075 PWs) bands (ev): -23.9275 -23.9275 -6.9545 -6.9545 -6.8748 -6.8748 -6.8022 -6.8022 -6.7686 -6.7686 -6.7535 -6.7535 -5.6778 -5.6778 -5.6261 -5.6261 -4.5307 -4.5307 -4.4278 -4.4278 -4.2843 -4.2843 -4.2114 -4.2114 -4.1691 -4.1691 -4.0888 -4.0888 -0.4488 -0.4488 3.1618 3.1618 5.8879 5.8879 8.3707 8.3707 8.9104 8.9104 10.1960 10.1960 10.2033 10.2033 11.5639 11.5639 11.6208 11.6208 11.6993 11.6993 13.7314 13.7314 15.2318 15.2318 k = 0.1034 0.0583 0.0000 ( 4071 PWs) bands (ev): -23.9275 -23.9275 -6.9543 -6.9543 -6.8752 -6.8752 -6.8024 -6.8024 -6.7684 -6.7684 -6.7534 -6.7534 -5.6778 -5.6778 -5.6269 -5.6269 -4.5299 -4.5299 -4.4294 -4.4294 -4.2846 -4.2846 -4.2117 -4.2117 -4.1667 -4.1667 -4.0889 -4.0889 -0.4322 -0.4322 3.0764 3.0764 5.9994 5.9994 8.3562 8.3562 8.9025 8.9025 10.1813 10.1813 10.2249 10.2249 11.5742 11.5742 11.5864 11.5864 11.7468 11.7468 13.7874 13.7874 15.2363 15.2363 k = 0.1207 0.0680 0.0000 ( 4055 PWs) bands (ev): -23.9275 -23.9275 -6.9541 -6.9541 -6.8757 -6.8757 -6.8026 -6.8026 -6.7682 -6.7682 -6.7533 -6.7533 -5.6777 -5.6777 -5.6278 -5.6278 -4.5290 -4.5290 -4.4312 -4.4312 -4.2849 -4.2849 -4.2120 -4.2120 -4.1641 -4.1641 -4.0891 -4.0891 -0.4125 -0.4125 2.9836 2.9836 6.1228 6.1228 8.3402 8.3402 8.8935 8.8935 10.1572 10.1572 10.2577 10.2577 11.5242 11.5242 11.6124 11.6124 11.8009 11.8009 13.8474 13.8474 15.2415 15.2415 k = 0.1379 0.0777 0.0000 ( 4059 PWs) bands (ev): -23.9275 -23.9275 -6.9539 -6.9539 -6.8762 -6.8762 -6.8029 -6.8029 -6.7680 -6.7680 -6.7532 -6.7532 -5.6777 -5.6777 -5.6289 -5.6289 -4.5279 -4.5279 -4.4331 -4.4331 -4.2853 -4.2853 -4.2122 -4.2122 -4.1613 -4.1613 -4.0893 -4.0893 -0.3899 -0.3899 2.8852 2.8852 6.2561 6.2561 8.3229 8.3229 8.8836 8.8836 10.1316 10.1316 10.2936 10.2936 11.4721 11.4721 11.6415 11.6415 11.8612 11.8612 13.9090 13.9090 15.2473 15.2473 k = 0.1552 0.0875 0.0000 ( 4059 PWs) bands (ev): -23.9275 -23.9275 -6.9536 -6.9536 -6.8768 -6.8768 -6.8032 -6.8032 -6.7678 -6.7678 -6.7531 -6.7531 -5.6776 -5.6776 -5.6300 -5.6300 -4.5267 -4.5267 -4.4353 -4.4353 -4.2857 -4.2857 -4.2124 -4.2124 -4.1583 -4.1583 -4.0895 -4.0895 -0.3643 -0.3643 2.7829 2.7829 6.3975 6.3975 8.3050 8.3050 8.8729 8.8729 10.1051 10.1051 10.3320 10.3320 11.4195 11.4195 11.6735 11.6735 11.9270 11.9270 13.9695 13.9695 15.2537 15.2537 k = 0.1724 0.0972 0.0000 ( 4059 PWs) bands (ev): -23.9275 -23.9275 -6.9533 -6.9533 -6.8775 -6.8775 -6.8035 -6.8035 -6.7676 -6.7676 -6.7530 -6.7530 -5.6775 -5.6775 -5.6313 -5.6313 -4.5255 -4.5255 -4.4375 -4.4375 -4.2861 -4.2861 -4.2126 -4.2126 -4.1552 -4.1552 -4.0897 -4.0897 -0.3358 -0.3358 2.6780 2.6780 6.5455 6.5455 8.2868 8.2868 8.8616 8.8616 10.0780 10.0780 10.3720 10.3720 11.3676 11.3676 11.7079 11.7079 11.9978 11.9978 14.0254 14.0254 15.2606 15.2606 k = 0.1897 0.1069 0.0000 ( 4055 PWs) bands (ev): -23.9275 -23.9275 -6.9529 -6.9529 -6.8782 -6.8782 -6.8038 -6.8038 -6.7673 -6.7673 -6.7529 -6.7529 -5.6775 -5.6775 -5.6326 -5.6326 -4.5242 -4.5242 -4.4399 -4.4399 -4.2866 -4.2866 -4.2126 -4.2126 -4.1521 -4.1521 -4.0899 -4.0899 -0.3044 -0.3044 2.5713 2.5713 6.6988 6.6988 8.2689 8.2689 8.8498 8.8498 10.0508 10.0508 10.4128 10.4128 11.3180 11.3180 11.7445 11.7445 12.0733 12.0733 14.0721 14.0721 15.2679 15.2679 k = 0.2069 0.1166 0.0000 ( 4055 PWs) bands (ev): -23.9275 -23.9275 -6.9525 -6.9525 -6.8790 -6.8790 -6.8041 -6.8041 -6.7671 -6.7671 -6.7527 -6.7527 -5.6774 -5.6774 -5.6339 -5.6339 -4.5229 -4.5229 -4.4423 -4.4423 -4.2871 -4.2871 -4.2127 -4.2127 -4.1489 -4.1489 -4.0901 -4.0901 -0.2701 -0.2701 2.4637 2.4637 6.8561 6.8561 8.2518 8.2518 8.8378 8.8378 10.0239 10.0239 10.4532 10.4532 11.2717 11.2717 11.7827 11.7827 12.1530 12.1530 14.1026 14.1026 15.2755 15.2755 k = 0.2241 0.1263 0.0000 ( 4063 PWs) bands (ev): -23.9275 -23.9275 -6.9520 -6.9520 -6.8799 -6.8799 -6.8044 -6.8044 -6.7668 -6.7668 -6.7526 -6.7526 -5.6773 -5.6773 -5.6353 -5.6353 -4.5215 -4.5215 -4.4447 -4.4447 -4.2876 -4.2876 -4.2126 -4.2126 -4.1457 -4.1457 -4.0903 -4.0903 -0.2329 -0.2329 2.3559 2.3559 7.0160 7.0160 8.2363 8.2363 8.8256 8.8256 9.9975 9.9975 10.4922 10.4922 11.2303 11.2303 11.8221 11.8221 12.2367 12.2367 14.1070 14.1070 15.2276 15.2276 k = 0.2414 0.1361 0.0000 ( 4067 PWs) bands (ev): -23.9275 -23.9275 -6.9515 -6.9515 -6.8807 -6.8807 -6.8048 -6.8048 -6.7666 -6.7666 -6.7525 -6.7525 -5.6773 -5.6773 -5.6368 -5.6368 -4.5201 -4.5201 -4.4472 -4.4472 -4.2881 -4.2881 -4.2126 -4.2126 -4.1425 -4.1425 -4.0905 -4.0905 -0.1929 -0.1929 2.2483 2.2483 7.1771 7.1771 8.2234 8.2234 8.8134 8.8134 9.9720 9.9720 10.5285 10.5285 11.1952 11.1952 11.8623 11.8623 12.3240 12.3240 14.0727 14.0727 15.1246 15.1246 k = 0.2586 0.1458 0.0000 ( 4071 PWs) bands (ev): -23.9275 -23.9275 -6.9510 -6.9510 -6.8817 -6.8817 -6.8051 -6.8051 -6.7663 -6.7663 -6.7524 -6.7524 -5.6772 -5.6772 -5.6382 -5.6382 -4.5188 -4.5188 -4.4496 -4.4496 -4.2886 -4.2886 -4.2125 -4.2125 -4.1394 -4.1394 -4.0907 -4.0907 -0.1502 -0.1502 2.1413 2.1413 7.3371 7.3371 8.2147 8.2147 8.8014 8.8014 9.9474 9.9474 10.5607 10.5607 11.1677 11.1677 11.9029 11.9029 12.4148 12.4148 13.9900 13.9900 15.0531 15.0531 k = 0.2759 0.1555 0.0000 ( 4067 PWs) bands (ev): -23.9275 -23.9275 -6.9504 -6.9504 -6.8826 -6.8826 -6.8054 -6.8054 -6.7661 -6.7661 -6.7522 -6.7522 -5.6771 -5.6771 -5.6397 -5.6397 -4.5174 -4.5174 -4.4519 -4.4519 -4.2890 -4.2890 -4.2123 -4.2123 -4.1364 -4.1364 -4.0909 -4.0909 -0.1048 -0.1048 2.0353 2.0353 7.4928 7.4928 8.2129 8.2129 8.7897 8.7897 9.9240 9.9240 10.5877 10.5877 11.1491 11.1491 11.9432 11.9432 12.5089 12.5089 13.8602 13.8602 15.0187 15.0187 k = 0.2931 0.1652 0.0000 ( 4067 PWs) bands (ev): -23.9275 -23.9275 -6.9498 -6.9498 -6.8836 -6.8836 -6.8057 -6.8057 -6.7659 -6.7659 -6.7521 -6.7521 -5.6771 -5.6771 -5.6411 -5.6411 -4.5161 -4.5161 -4.4542 -4.4542 -4.2895 -4.2895 -4.2121 -4.2121 -4.1335 -4.1335 -4.0910 -4.0910 -0.0568 -0.0568 1.9306 1.9306 7.6383 7.6383 8.2230 8.2230 8.7784 8.7784 9.9019 9.9019 10.6088 10.6088 11.1401 11.1401 11.9830 11.9830 12.6060 12.6060 13.6944 13.6944 15.0124 15.0124 k = 0.3103 0.1749 0.0000 ( 4075 PWs) bands (ev): -23.9275 -23.9275 -6.9491 -6.9491 -6.8846 -6.8846 -6.8060 -6.8060 -6.7656 -6.7656 -6.7520 -6.7520 -5.6770 -5.6770 -5.6425 -5.6425 -4.5148 -4.5148 -4.4563 -4.4563 -4.2900 -4.2900 -4.2120 -4.2120 -4.1308 -4.1308 -4.0912 -4.0912 -0.0062 -0.0062 1.8274 1.8274 7.7636 7.7636 8.2544 8.2544 8.7676 8.7676 9.8812 9.8812 10.6245 10.6245 11.1406 11.1406 12.0216 12.0216 12.7060 12.7060 13.5054 13.5054 15.0206 15.0206 k = 0.3276 0.1846 0.0000 ( 4087 PWs) bands (ev): -23.9275 -23.9275 -6.9485 -6.9485 -6.8856 -6.8856 -6.8063 -6.8063 -6.7654 -6.7654 -6.7519 -6.7519 -5.6770 -5.6770 -5.6439 -5.6439 -4.5136 -4.5136 -4.4584 -4.4584 -4.2904 -4.2904 -4.2118 -4.2118 -4.1282 -4.1282 -4.0913 -4.0913 0.0468 0.0468 1.7260 1.7260 7.8560 7.8560 8.3186 8.3186 8.7575 8.7575 9.8621 9.8621 10.6360 10.6360 11.1493 11.1493 12.0587 12.0587 12.8086 12.8086 13.3032 13.3032 15.0313 15.0313 k = 0.3448 0.1944 0.0000 ( 4087 PWs) bands (ev): -23.9275 -23.9275 -6.9478 -6.9478 -6.8865 -6.8865 -6.8066 -6.8066 -6.7652 -6.7652 -6.7518 -6.7518 -5.6769 -5.6769 -5.6451 -5.6451 -4.5125 -4.5125 -4.4603 -4.4603 -4.2909 -4.2909 -4.2116 -4.2116 -4.1258 -4.1258 -4.0914 -4.0914 0.1022 0.1022 1.6267 1.6267 7.9110 7.9110 8.4187 8.4187 8.7480 8.7480 9.8446 9.8446 10.6459 10.6459 11.1642 11.1642 12.0938 12.0938 12.9138 12.9138 13.0945 13.0945 15.0374 15.0374 k = 0.3621 0.2041 0.0000 ( 4087 PWs) bands (ev): -23.9275 -23.9275 -6.9472 -6.9472 -6.8874 -6.8874 -6.8068 -6.8068 -6.7650 -6.7650 -6.7517 -6.7517 -5.6768 -5.6768 -5.6463 -5.6463 -4.5115 -4.5115 -4.4620 -4.4620 -4.2912 -4.2912 -4.2114 -4.2114 -4.1236 -4.1236 -4.0915 -4.0915 0.1596 0.1596 1.5297 1.5297 7.9383 7.9383 8.5433 8.5433 8.7394 8.7394 9.8288 9.8288 10.6570 10.6570 11.1829 11.1829 12.1265 12.1265 12.8840 12.8840 13.0214 13.0214 15.0384 15.0384 k = 0.3793 0.2138 0.0000 ( 4067 PWs) bands (ev): -23.9275 -23.9275 -6.9466 -6.9466 -6.8883 -6.8883 -6.8070 -6.8070 -6.7649 -6.7649 -6.7516 -6.7516 -5.6768 -5.6768 -5.6474 -5.6474 -4.5106 -4.5106 -4.4636 -4.4636 -4.2916 -4.2916 -4.2112 -4.2112 -4.1217 -4.1217 -4.0915 -4.0915 0.2188 0.2188 1.4354 1.4354 7.9500 7.9500 8.6780 8.6780 8.7316 8.7316 9.8147 9.8147 10.6725 10.6725 11.2027 11.2027 12.1563 12.1563 12.6753 12.6753 13.1310 13.1310 14.9580 14.9580 k = 0.3966 0.2235 0.0000 ( 4055 PWs) bands (ev): -23.9275 -23.9275 -6.9460 -6.9460 -6.8891 -6.8891 -6.8072 -6.8072 -6.7647 -6.7647 -6.7516 -6.7516 -5.6767 -5.6767 -5.6483 -5.6483 -4.5097 -4.5097 -4.4650 -4.4650 -4.2919 -4.2919 -4.2111 -4.2111 -4.1199 -4.1199 -4.0916 -4.0916 0.2795 0.2795 1.3443 1.3443 7.9541 7.9541 8.7247 8.7247 8.8121 8.8121 9.8024 9.8024 10.6955 10.6955 11.2212 11.2212 12.1829 12.1829 12.4714 12.4714 13.2424 13.2424 14.8232 14.8232 k = 0.4138 0.2332 0.0000 ( 4063 PWs) bands (ev): -23.9275 -23.9275 -6.9455 -6.9455 -6.8898 -6.8898 -6.8074 -6.8074 -6.7646 -6.7646 -6.7515 -6.7515 -5.6767 -5.6767 -5.6492 -5.6492 -4.5090 -4.5090 -4.4662 -4.4662 -4.2922 -4.2922 -4.2109 -4.2109 -4.1184 -4.1184 -4.0916 -4.0916 0.3409 0.3409 1.2570 1.2570 7.9544 7.9544 8.7188 8.7188 8.9381 8.9381 9.7919 9.7919 10.7292 10.7292 11.2358 11.2358 12.2059 12.2059 12.2760 12.2760 13.3550 13.3550 14.6904 14.6904 k = 0.4310 0.2430 0.0000 ( 4063 PWs) bands (ev): -23.9275 -23.9275 -6.9450 -6.9450 -6.8904 -6.8904 -6.8075 -6.8075 -6.7645 -6.7645 -6.7514 -6.7514 -5.6767 -5.6767 -5.6499 -5.6499 -4.5085 -4.5085 -4.4672 -4.4672 -4.2924 -4.2924 -4.2108 -4.2108 -4.1172 -4.1172 -4.0917 -4.0917 0.4019 0.4019 1.1748 1.1748 7.9532 7.9532 8.7140 8.7140 9.0501 9.0501 9.7833 9.7833 10.7762 10.7762 11.2432 11.2432 12.0939 12.0939 12.2252 12.2252 13.4679 13.4679 14.5607 14.5607 k = 0.4483 0.2527 0.0000 ( 4059 PWs) bands (ev): -23.9275 -23.9275 -6.9446 -6.9446 -6.8909 -6.8909 -6.8077 -6.8077 -6.7644 -6.7644 -6.7514 -6.7514 -5.6766 -5.6766 -5.6504 -5.6504 -4.5080 -4.5080 -4.4680 -4.4680 -4.2925 -4.2925 -4.2107 -4.2107 -4.1163 -4.1163 -4.0917 -4.0917 0.4605 0.4605 1.0997 1.0997 7.9514 7.9514 8.7101 8.7101 9.1429 9.1429 9.7766 9.7766 10.8380 10.8380 11.2387 11.2387 11.9324 11.9324 12.2404 12.2404 13.5795 13.5795 14.4361 14.4361 k = 0.4655 0.2624 0.0000 ( 4068 PWs) bands (ev): -23.9275 -23.9275 -6.9444 -6.9444 -6.8913 -6.8913 -6.8077 -6.8077 -6.7644 -6.7644 -6.7514 -6.7514 -5.6766 -5.6766 -5.6508 -5.6508 -4.5077 -4.5077 -4.4685 -4.4685 -4.2927 -4.2927 -4.2106 -4.2106 -4.1156 -4.1156 -4.0917 -4.0917 0.5128 0.5128 1.0356 1.0356 7.9499 7.9499 8.7074 8.7074 9.2123 9.2123 9.7718 9.7718 10.9141 10.9141 11.2152 11.2152 11.8026 11.8026 12.2514 12.2514 13.6853 13.6853 14.3208 14.3208 k = 0.4828 0.2721 0.0000 ( 4060 PWs) bands (ev): -23.9275 -23.9275 -6.9442 -6.9442 -6.8915 -6.8915 -6.8078 -6.8078 -6.7643 -6.7643 -6.7514 -6.7514 -5.6766 -5.6766 -5.6511 -5.6511 -4.5075 -4.5075 -4.4689 -4.4689 -4.2927 -4.2927 -4.2106 -4.2106 -4.1151 -4.1151 -4.0917 -4.0917 0.5515 0.5515 0.9898 0.9898 7.9488 7.9488 8.7057 8.7057 9.2551 9.2551 9.7689 9.7689 11.0002 11.0002 11.1660 11.1660 11.7183 11.7183 12.2581 12.2581 13.7736 13.7736 14.2269 14.2269 k = 0.5000 0.2818 0.0000 ( 4060 PWs) bands (ev): -23.9275 -23.9275 -6.9441 -6.9441 -6.8916 -6.8916 -6.8078 -6.8078 -6.7643 -6.7643 -6.7514 -6.7514 -5.6766 -5.6766 -5.6511 -5.6511 -4.5074 -4.5074 -4.4690 -4.4690 -4.2928 -4.2928 -4.2106 -4.2106 -4.1150 -4.1150 -4.0917 -4.0917 0.5663 0.5663 0.9726 0.9726 7.9484 7.9484 8.7052 8.7052 9.2695 9.2695 9.7680 9.7680 11.0747 11.0747 11.1045 11.1045 11.6894 11.6894 12.2603 12.2603 13.8127 13.8127 14.1859 14.1859 k = 0.5000 0.2818 0.0000 ( 4060 PWs) bands (ev): -23.9275 -23.9275 -6.9441 -6.9441 -6.8916 -6.8916 -6.8078 -6.8078 -6.7643 -6.7643 -6.7514 -6.7514 -5.6766 -5.6766 -5.6511 -5.6511 -4.5074 -4.5074 -4.4690 -4.4690 -4.2928 -4.2928 -4.2106 -4.2106 -4.1150 -4.1150 -4.0917 -4.0917 0.5663 0.5663 0.9726 0.9726 7.9484 7.9484 8.7052 8.7052 9.2695 9.2695 9.7680 9.7680 11.0747 11.0747 11.1045 11.1045 11.6894 11.6894 12.2603 12.2603 13.8127 13.8127 14.1859 14.1859 k = 0.4930 0.2943 0.0143 ( 4060 PWs) bands (ev): -23.9274 -23.9274 -6.9442 -6.9442 -6.8915 -6.8915 -6.8078 -6.8078 -6.7647 -6.7647 -6.7510 -6.7510 -5.6767 -5.6767 -5.6512 -5.6512 -4.5074 -4.5074 -4.4690 -4.4690 -4.2927 -4.2927 -4.2105 -4.2105 -4.1150 -4.1150 -4.0917 -4.0917 0.5676 0.5676 0.9735 0.9735 7.9391 7.9391 8.6863 8.6863 9.2813 9.2813 9.7840 9.7840 11.0532 11.0532 11.1207 11.1207 11.6927 11.6927 12.2601 12.2601 13.8111 13.8111 14.1964 14.1964 k = 0.4860 0.3067 0.0286 ( 4070 PWs) bands (ev): -23.9274 -23.9274 -6.9442 -6.9442 -6.8914 -6.8914 -6.8077 -6.8077 -6.7658 -6.7658 -6.7502 -6.7502 -5.6769 -5.6769 -5.6514 -5.6514 -4.5075 -4.5075 -4.4692 -4.4692 -4.2923 -4.2923 -4.2105 -4.2105 -4.1151 -4.1151 -4.0918 -4.0918 0.5714 0.5714 0.9763 0.9763 7.9101 7.9101 8.6393 8.6393 9.3084 9.3084 9.8312 9.8312 11.0137 11.0137 11.1456 11.1456 11.7022 11.7022 12.2599 12.2599 13.8059 13.8059 14.2274 14.2274 k = 0.4790 0.3191 0.0428 ( 4066 PWs) bands (ev): -23.9274 -23.9274 -6.9443 -6.9443 -6.8911 -6.8911 -6.8076 -6.8076 -6.7674 -6.7674 -6.7489 -6.7489 -5.6772 -5.6772 -5.6516 -5.6516 -4.5076 -4.5076 -4.4694 -4.4694 -4.2918 -4.2918 -4.2104 -4.2104 -4.1152 -4.1152 -4.0918 -4.0918 0.5777 0.5777 0.9809 0.9809 7.8597 7.8597 8.5827 8.5827 9.3373 9.3373 9.9050 9.9050 10.9638 10.9638 11.1746 11.1746 11.7168 11.7168 12.2599 12.2599 13.7962 13.7962 14.2770 14.2770 k = 0.4720 0.3316 0.0571 ( 4070 PWs) bands (ev): -23.9273 -23.9273 -6.9444 -6.9444 -6.8908 -6.8908 -6.8075 -6.8075 -6.7693 -6.7693 -6.7476 -6.7476 -5.6778 -5.6778 -5.6520 -5.6520 -4.5078 -4.5078 -4.4697 -4.4697 -4.2911 -4.2911 -4.2103 -4.2103 -4.1153 -4.1153 -4.0919 -4.0919 0.5866 0.5866 0.9872 0.9872 7.7869 7.7869 8.5306 8.5306 9.3609 9.3609 9.9966 9.9966 10.9053 10.9053 11.2109 11.2109 11.7351 11.7351 12.2608 12.2608 13.7805 13.7805 14.3417 14.3417 k = 0.4650 0.3440 0.0714 ( 4060 PWs) bands (ev): -23.9273 -23.9273 -6.9446 -6.9446 -6.8904 -6.8904 -6.8073 -6.8073 -6.7715 -6.7715 -6.7461 -6.7461 -5.6785 -5.6785 -5.6524 -5.6524 -4.5080 -4.5080 -4.4701 -4.4701 -4.2901 -4.2901 -4.2102 -4.2102 -4.1155 -4.1155 -4.0920 -4.0920 0.5979 0.5979 0.9953 0.9953 7.6928 7.6928 8.4898 8.4898 9.3783 9.3783 10.0946 10.0946 10.8417 10.8417 11.2575 11.2575 11.7560 11.7560 12.2633 12.2633 13.7569 13.7569 14.4142 14.4142 k = 0.4579 0.3564 0.0857 ( 4062 PWs) bands (ev): -23.9272 -23.9272 -6.9448 -6.9448 -6.8899 -6.8899 -6.8070 -6.8070 -6.7737 -6.7737 -6.7447 -6.7447 -5.6793 -5.6793 -5.6528 -5.6528 -4.5082 -4.5082 -4.4706 -4.4706 -4.2890 -4.2890 -4.2100 -4.2100 -4.1157 -4.1157 -4.0922 -4.0922 0.6118 0.6118 1.0050 1.0050 7.5814 7.5814 8.4615 8.4615 9.3902 9.3902 10.1864 10.1864 10.7785 10.7785 11.3177 11.3177 11.7787 11.7787 12.2679 12.2679 13.7232 13.7232 14.4733 14.4733 k = 0.4509 0.3689 0.0999 ( 4070 PWs) bands (ev): -23.9271 -23.9271 -6.9451 -6.9451 -6.8893 -6.8893 -6.8068 -6.8068 -6.7761 -6.7761 -6.7434 -6.7434 -5.6804 -5.6804 -5.6532 -5.6532 -4.5085 -4.5085 -4.4711 -4.4711 -4.2877 -4.2877 -4.2098 -4.2098 -4.1159 -4.1159 -4.0923 -4.0923 0.6282 0.6282 1.0162 1.0162 7.4574 7.4574 8.4440 8.4440 9.3973 9.3973 10.2570 10.2570 10.7255 10.7255 11.3942 11.3942 11.8029 11.8029 12.2749 12.2749 13.6782 13.6782 14.4690 14.4690 k = 0.4439 0.3813 0.1142 ( 4068 PWs) bands (ev): -23.9270 -23.9270 -6.9453 -6.9453 -6.8887 -6.8887 -6.8065 -6.8065 -6.7785 -6.7785 -6.7421 -6.7421 -5.6818 -5.6818 -5.6536 -5.6536 -4.5089 -4.5089 -4.4717 -4.4717 -4.2862 -4.2862 -4.2096 -4.2096 -4.1162 -4.1162 -4.0925 -4.0925 0.6471 0.6471 1.0288 1.0288 7.3250 7.3250 8.4349 8.4349 9.3999 9.3999 10.2894 10.2894 10.6970 10.6970 11.4885 11.4885 11.8287 11.8287 12.2849 12.2849 13.6216 13.6216 14.3978 14.3978 k = 0.4369 0.3938 0.1285 ( 4074 PWs) bands (ev): -23.9269 -23.9269 -6.9456 -6.9456 -6.8879 -6.8879 -6.8061 -6.8061 -6.7810 -6.7810 -6.7409 -6.7409 -5.6833 -5.6833 -5.6539 -5.6539 -4.5093 -4.5093 -4.4724 -4.4724 -4.2845 -4.2845 -4.2094 -4.2094 -4.1165 -4.1165 -4.0927 -4.0927 0.6684 0.6684 1.0427 1.0427 7.1878 7.1878 8.4322 8.4322 9.3972 9.3972 10.2752 10.2752 10.7010 10.7010 11.5990 11.5990 11.8576 11.8576 12.2980 12.2980 13.5549 13.5549 14.3022 14.3022 k = 0.4299 0.4062 0.1428 ( 4070 PWs) bands (ev): -23.9268 -23.9268 -6.9459 -6.9459 -6.8871 -6.8871 -6.8058 -6.8058 -6.7835 -6.7835 -6.7398 -6.7398 -5.6851 -5.6851 -5.6541 -5.6541 -4.5097 -4.5097 -4.4731 -4.4731 -4.2828 -4.2828 -4.2091 -4.2091 -4.1169 -4.1169 -4.0929 -4.0929 0.6923 0.6923 1.0577 1.0577 7.0484 7.0484 8.4344 8.4344 9.3880 9.3880 10.2267 10.2267 10.7275 10.7275 11.7174 11.7174 11.8956 11.8956 12.3145 12.3145 13.4807 13.4807 14.1993 14.1993 k = 0.4229 0.4186 0.1570 ( 4070 PWs) bands (ev): -23.9267 -23.9267 -6.9463 -6.9463 -6.8863 -6.8863 -6.8054 -6.8054 -6.7860 -6.7860 -6.7388 -6.7388 -5.6871 -5.6871 -5.6543 -5.6543 -4.5102 -4.5102 -4.4738 -4.4738 -4.2808 -4.2808 -4.2088 -4.2088 -4.1173 -4.1173 -4.0931 -4.0931 0.7185 0.7185 1.0736 1.0736 6.9085 6.9085 8.4404 8.4404 9.3706 9.3706 10.1628 10.1628 10.7621 10.7621 11.8157 11.8157 11.9665 11.9665 12.3352 12.3352 13.4022 13.4022 14.0943 14.0943 k = 0.4159 0.4311 0.1713 ( 4080 PWs) bands (ev): -23.9266 -23.9266 -6.9466 -6.9466 -6.8853 -6.8853 -6.8049 -6.8049 -6.7885 -6.7885 -6.7380 -6.7380 -5.6893 -5.6893 -5.6543 -5.6543 -4.5107 -4.5107 -4.4745 -4.4745 -4.2788 -4.2788 -4.2086 -4.2086 -4.1177 -4.1177 -4.0933 -4.0933 0.7472 0.7472 1.0901 1.0901 6.7695 6.7695 8.4495 8.4495 9.3428 9.3428 10.0960 10.0960 10.7971 10.7971 11.8672 11.8672 12.0908 12.0908 12.3626 12.3626 13.3228 13.3228 13.9892 13.9892 k = 0.4089 0.4435 0.1856 ( 4080 PWs) bands (ev): -23.9264 -23.9264 -6.9470 -6.9470 -6.8844 -6.8844 -6.8045 -6.8045 -6.7910 -6.7910 -6.7372 -6.7372 -5.6916 -5.6916 -5.6543 -5.6543 -4.5112 -4.5112 -4.4753 -4.4753 -4.2767 -4.2767 -4.2083 -4.2083 -4.1182 -4.1182 -4.0936 -4.0936 0.7784 0.7784 1.1072 1.1072 6.6326 6.6326 8.4610 8.4610 9.3027 9.3027 10.0331 10.0331 10.8303 10.8303 11.8941 11.8941 12.2320 12.2320 12.4065 12.4065 13.2455 13.2455 13.8848 13.8848 k = 0.4019 0.4559 0.1999 ( 4077 PWs) bands (ev): -23.9263 -23.9263 -6.9474 -6.9474 -6.8833 -6.8833 -6.8040 -6.8040 -6.7935 -6.7935 -6.7366 -6.7366 -5.6941 -5.6941 -5.6541 -5.6541 -4.5118 -4.5118 -4.4760 -4.4760 -4.2744 -4.2744 -4.2080 -4.2080 -4.1187 -4.1187 -4.0938 -4.0938 0.8119 0.8119 1.1245 1.1245 6.4986 6.4986 8.4746 8.4746 9.2494 9.2494 9.9776 9.9776 10.8613 10.8613 11.9106 11.9106 12.3359 12.3359 12.5027 12.5027 13.1731 13.1731 13.7813 13.7813 k = 0.3949 0.4684 0.2141 ( 4085 PWs) bands (ev): -23.9262 -23.9262 -6.9478 -6.9478 -6.8823 -6.8823 -6.8036 -6.8036 -6.7959 -6.7959 -6.7362 -6.7362 -5.6967 -5.6967 -5.6539 -5.6539 -4.5124 -4.5124 -4.4767 -4.4767 -4.2722 -4.2722 -4.2077 -4.2077 -4.1193 -4.1193 -4.0940 -4.0940 0.8478 0.8478 1.1418 1.1418 6.3683 6.3683 8.4897 8.4897 9.1833 9.1833 9.9304 9.9304 10.8907 10.8907 11.9193 11.9193 12.3886 12.3886 12.6578 12.6578 13.1085 13.1085 13.6790 13.6790 k = 0.3878 0.4808 0.2284 ( 4087 PWs) bands (ev): -23.9260 -23.9260 -6.9482 -6.9482 -6.8812 -6.8812 -6.8031 -6.8031 -6.7982 -6.7982 -6.7358 -6.7358 -5.6994 -5.6994 -5.6536 -5.6536 -4.5130 -4.5130 -4.4775 -4.4775 -4.2698 -4.2698 -4.2074 -4.2074 -4.1199 -4.1199 -4.0942 -4.0942 0.8860 0.8860 1.1587 1.1587 6.2423 6.2423 8.5058 8.5058 9.1063 9.1063 9.8902 9.8902 10.9192 10.9192 11.9200 11.9200 12.4262 12.4262 12.8281 12.8281 13.0577 13.0577 13.5781 13.5781 k = 0.3808 0.4932 0.2427 ( 4081 PWs) bands (ev): -23.9259 -23.9259 -6.9486 -6.9486 -6.8801 -6.8801 -6.8029 -6.8029 -6.8003 -6.8003 -6.7356 -6.7356 -5.7021 -5.7021 -5.6533 -5.6533 -4.5136 -4.5136 -4.4782 -4.4782 -4.2675 -4.2675 -4.2071 -4.2071 -4.1205 -4.1205 -4.0944 -4.0944 0.9265 0.9265 1.1749 1.1749 6.1211 6.1211 8.5222 8.5222 9.0213 9.0213 9.8548 9.8548 10.9478 10.9478 11.9116 11.9116 12.4613 12.4613 12.9492 12.9492 13.0699 13.0699 13.4807 13.4807 k = 0.3738 0.5057 0.2570 ( 4085 PWs) bands (ev): -23.9257 -23.9257 -6.9490 -6.9490 -6.8789 -6.8789 -6.8038 -6.8038 -6.8012 -6.8012 -6.7355 -6.7355 -5.7048 -5.7048 -5.6529 -5.6529 -4.5142 -4.5142 -4.4788 -4.4788 -4.2651 -4.2651 -4.2069 -4.2069 -4.1211 -4.1211 -4.0946 -4.0946 0.9693 0.9693 1.1901 1.1901 6.0054 6.0054 8.5373 8.5373 8.9322 8.9322 9.8215 9.8215 10.9773 10.9773 11.8931 11.8931 12.4969 12.4969 12.9402 12.9402 13.2122 13.2122 13.3970 13.3970 k = 0.3668 0.5181 0.2712 ( 4085 PWs) bands (ev): -23.9255 -23.9255 -6.9494 -6.9494 -6.8778 -6.8778 -6.8057 -6.8057 -6.8010 -6.8010 -6.7355 -6.7355 -5.7076 -5.7076 -5.6525 -5.6525 -4.5149 -4.5149 -4.4794 -4.4794 -4.2627 -4.2627 -4.2066 -4.2066 -4.1218 -4.1218 -4.0948 -4.0948 1.0143 1.0143 1.2039 1.2039 5.8955 5.8955 8.5476 8.5476 8.8447 8.8447 9.7880 9.7880 11.0084 11.0084 11.8639 11.8639 12.5340 12.5340 12.9161 12.9161 13.2518 13.2518 13.4413 13.4413 k = 0.3598 0.5305 0.2855 ( 4085 PWs) bands (ev): -23.9254 -23.9254 -6.9498 -6.9498 -6.8767 -6.8767 -6.8078 -6.8078 -6.8005 -6.8005 -6.7356 -6.7356 -5.7102 -5.7102 -5.6520 -5.6520 -4.5156 -4.5156 -4.4800 -4.4800 -4.2604 -4.2604 -4.2063 -4.2063 -4.1225 -4.1225 -4.0949 -4.0949 1.0614 1.0614 1.2160 1.2160 5.7921 5.7921 8.5437 8.5437 8.7697 8.7697 9.7525 9.7525 11.0419 11.0419 11.8236 11.8236 12.5726 12.5726 12.8981 12.8981 13.1737 13.1737 13.5275 13.5275 k = 0.3528 0.5430 0.2998 ( 4087 PWs) bands (ev): -23.9253 -23.9253 -6.9502 -6.9502 -6.8756 -6.8756 -6.8098 -6.8098 -6.8000 -6.8000 -6.7357 -6.7357 -5.7128 -5.7128 -5.6515 -5.6515 -4.5162 -4.5162 -4.4805 -4.4805 -4.2581 -4.2581 -4.2061 -4.2061 -4.1233 -4.1233 -4.0951 -4.0951 1.1106 1.1106 1.2260 1.2260 5.6955 5.6955 8.5081 8.5081 8.7261 8.7261 9.7137 9.7137 11.0785 11.0785 11.7729 11.7729 12.6128 12.6128 12.8870 12.8870 13.0903 13.0903 13.5182 13.5182 k = 0.3458 0.5554 0.3141 ( 4091 PWs) bands (ev): -23.9251 -23.9251 -6.9506 -6.9506 -6.8745 -6.8745 -6.8117 -6.8117 -6.7994 -6.7994 -6.7360 -6.7360 -5.7154 -5.7154 -5.6510 -5.6510 -4.5169 -4.5169 -4.4809 -4.4809 -4.2558 -4.2558 -4.2059 -4.2059 -4.1241 -4.1241 -4.0953 -4.0953 1.1615 1.1615 1.2337 1.2337 5.6061 5.6061 8.4370 8.4370 8.7186 8.7186 9.6709 9.6709 11.1186 11.1186 11.7126 11.7126 12.6541 12.6541 12.8775 12.8775 13.0164 13.0164 13.5187 13.5187 k = 0.3388 0.5679 0.3283 ( 4093 PWs) bands (ev): -23.9250 -23.9250 -6.9510 -6.9510 -6.8734 -6.8734 -6.8135 -6.8135 -6.7989 -6.7989 -6.7363 -6.7363 -5.7178 -5.7178 -5.6505 -5.6505 -4.5176 -4.5176 -4.4813 -4.4813 -4.2537 -4.2537 -4.2057 -4.2057 -4.1249 -4.1249 -4.0954 -4.0954 1.2122 1.2122 1.2408 1.2408 5.5245 5.5245 8.3474 8.3474 8.7307 8.7307 9.6239 9.6239 11.1625 11.1625 11.6439 11.6439 12.6960 12.6960 12.8502 12.8502 12.9731 12.9731 13.5318 13.5318 k = 0.3318 0.5803 0.3426 ( 4101 PWs) bands (ev): -23.9248 -23.9248 -6.9514 -6.9514 -6.8724 -6.8724 -6.8152 -6.8152 -6.7983 -6.7983 -6.7367 -6.7367 -5.7200 -5.7200 -5.6500 -5.6500 -4.5182 -4.5182 -4.4816 -4.4816 -4.2516 -4.2516 -4.2055 -4.2055 -4.1258 -4.1258 -4.0955 -4.0955 1.2347 1.2347 1.2747 1.2747 5.4510 5.4510 8.2513 8.2513 8.7511 8.7511 9.5729 9.5729 11.2104 11.2104 11.5682 11.5682 12.7382 12.7382 12.7910 12.7910 12.9750 12.9750 13.5568 13.5568 k = 0.3248 0.5927 0.3569 ( 4101 PWs) bands (ev): -23.9247 -23.9247 -6.9517 -6.9517 -6.8715 -6.8715 -6.8167 -6.8167 -6.7978 -6.7978 -6.7372 -6.7372 -5.7222 -5.7222 -5.6494 -5.6494 -4.5189 -4.5189 -4.4818 -4.4818 -4.2495 -4.2495 -4.2053 -4.2053 -4.1267 -4.1267 -4.0956 -4.0956 1.2336 1.2336 1.3304 1.3304 5.3858 5.3858 8.1533 8.1533 8.7748 8.7748 9.5188 9.5188 11.2618 11.2618 11.4873 11.4873 12.7188 12.7188 12.7808 12.7808 13.0028 13.0028 13.5922 13.5922 k = 0.3178 0.6052 0.3712 ( 4097 PWs) bands (ev): -23.9246 -23.9246 -6.9521 -6.9521 -6.8707 -6.8707 -6.8181 -6.8181 -6.7973 -6.7973 -6.7376 -6.7376 -5.7241 -5.7241 -5.6489 -5.6489 -4.5195 -4.5195 -4.4819 -4.4819 -4.2477 -4.2477 -4.2052 -4.2052 -4.1276 -4.1276 -4.0957 -4.0957 1.2273 1.2273 1.3892 1.3892 5.3292 5.3292 8.0558 8.0558 8.7997 8.7997 9.4626 9.4626 11.3138 11.3138 11.4055 11.4055 12.6445 12.6445 12.8244 12.8244 13.0447 13.0447 13.6366 13.6366 k = 0.3107 0.6176 0.3854 ( 4101 PWs) bands (ev): -23.9245 -23.9245 -6.9525 -6.9525 -6.8700 -6.8700 -6.8193 -6.8193 -6.7968 -6.7968 -6.7381 -6.7381 -5.7259 -5.7259 -5.6484 -5.6484 -4.5201 -4.5201 -4.4819 -4.4819 -4.2459 -4.2459 -4.2051 -4.2051 -4.1286 -4.1286 -4.0958 -4.0958 1.2166 1.2166 1.4499 1.4499 5.2815 5.2815 7.9597 7.9597 8.8237 8.8237 9.4060 9.4060 11.2996 11.2996 11.3903 11.3903 12.5711 12.5711 12.8699 12.8699 13.0963 13.0963 13.6885 13.6885 k = 0.3037 0.6300 0.3997 ( 4101 PWs) bands (ev): -23.9244 -23.9244 -6.9528 -6.9528 -6.8693 -6.8693 -6.8202 -6.8202 -6.7964 -6.7964 -6.7386 -6.7386 -5.7275 -5.7275 -5.6479 -5.6479 -4.5207 -4.5207 -4.4819 -4.4819 -4.2443 -4.2443 -4.2050 -4.2050 -4.1296 -4.1296 -4.0959 -4.0959 1.2015 1.2015 1.5124 1.5124 5.2427 5.2427 7.8658 7.8658 8.8448 8.8448 9.3515 9.3515 11.2120 11.2120 11.4499 11.4499 12.4994 12.4994 12.9181 12.9181 13.1554 13.1554 13.7460 13.7460 k = 0.2967 0.6425 0.4140 ( 4099 PWs) bands (ev): -23.9243 -23.9243 -6.9531 -6.9531 -6.8689 -6.8689 -6.8210 -6.8210 -6.7960 -6.7960 -6.7391 -6.7391 -5.7289 -5.7289 -5.6474 -5.6474 -4.5213 -4.5213 -4.4817 -4.4817 -4.2428 -4.2428 -4.2049 -4.2049 -4.1306 -4.1306 -4.0960 -4.0960 1.1818 1.1818 1.5764 1.5764 5.2128 5.2128 7.7746 7.7746 8.8597 8.8597 9.3028 9.3028 11.1185 11.1185 11.5172 11.5172 12.4298 12.4298 12.9696 12.9696 13.2202 13.2202 13.8033 13.8033 k = 0.2897 0.6549 0.4283 ( 4105 PWs) bands (ev): -23.9242 -23.9242 -6.9534 -6.9534 -6.8685 -6.8685 -6.8216 -6.8216 -6.7956 -6.7956 -6.7395 -6.7395 -5.7301 -5.7301 -5.6469 -5.6469 -4.5218 -4.5218 -4.4814 -4.4814 -4.2414 -4.2414 -4.2048 -4.2048 -4.1317 -4.1317 -4.0960 -4.0960 1.1577 1.1577 1.6419 1.6419 5.1917 5.1917 7.6866 7.6866 8.8642 8.8642 9.2648 9.2648 11.0234 11.0234 11.5885 11.5885 12.3625 12.3625 13.0249 13.0249 13.2899 13.2899 13.8349 13.8349 k = 0.2897 0.6549 0.4283 ( 4105 PWs) bands (ev): -23.9242 -23.9242 -6.9534 -6.9534 -6.8685 -6.8685 -6.8216 -6.8216 -6.7956 -6.7956 -6.7395 -6.7395 -5.7301 -5.7301 -5.6469 -5.6469 -4.5218 -4.5218 -4.4814 -4.4814 -4.2414 -4.2414 -4.2048 -4.2048 -4.1317 -4.1317 -4.0960 -4.0960 1.1577 1.1577 1.6419 1.6419 5.1917 5.1917 7.6866 7.6866 8.8642 8.8642 9.2648 9.2648 11.0234 11.0234 11.5885 11.5885 12.3625 12.3625 13.0249 13.0249 13.2899 13.2899 13.8349 13.8349 k = 0.2716 0.6505 0.4333 ( 4102 PWs) bands (ev): -23.9242 -23.9242 -6.9536 -6.9536 -6.8684 -6.8684 -6.8217 -6.8217 -6.7955 -6.7955 -6.7397 -6.7397 -5.7305 -5.7305 -5.6467 -5.6467 -4.5220 -4.5220 -4.4813 -4.4813 -4.2410 -4.2410 -4.2048 -4.2048 -4.1321 -4.1321 -4.0961 -4.0961 1.1458 1.1458 1.6678 1.6678 5.1891 5.1891 7.6448 7.6448 8.8683 8.8683 9.2605 9.2605 10.9888 10.9888 11.6150 11.6150 12.3380 12.3380 12.9742 12.9742 13.3864 13.3864 13.7955 13.7955 k = 0.2535 0.6461 0.4384 ( 4095 PWs) bands (ev): -23.9242 -23.9242 -6.9537 -6.9537 -6.8683 -6.8683 -6.8218 -6.8218 -6.7953 -6.7953 -6.7398 -6.7398 -5.7308 -5.7308 -5.6466 -5.6466 -4.5222 -4.5222 -4.4811 -4.4811 -4.2405 -4.2405 -4.2049 -4.2049 -4.1325 -4.1325 -4.0961 -4.0961 1.1304 1.1304 1.6973 1.6973 5.1930 5.1930 7.5821 7.5821 8.8829 8.8829 9.2676 9.2676 10.9534 10.9534 11.6427 11.6427 12.3113 12.3113 12.8666 12.8666 13.5305 13.5305 13.7545 13.7545 k = 0.2354 0.6417 0.4434 ( 4093 PWs) bands (ev): -23.9241 -23.9241 -6.9538 -6.9538 -6.8683 -6.8683 -6.8218 -6.8218 -6.7952 -6.7952 -6.7399 -6.7399 -5.7311 -5.7311 -5.6463 -5.6463 -4.5224 -4.5224 -4.4809 -4.4809 -4.2400 -4.2400 -4.2049 -4.2049 -4.1329 -4.1329 -4.0962 -4.0962 1.1129 1.1129 1.7284 1.7284 5.2038 5.2038 7.5016 7.5016 8.9073 8.9073 9.2840 9.2840 10.9177 10.9177 11.6707 11.6707 12.2812 12.2812 12.7532 12.7532 13.6022 13.6022 13.8009 13.8009 k = 0.2173 0.6373 0.4485 ( 4101 PWs) bands (ev): -23.9241 -23.9241 -6.9540 -6.9540 -6.8683 -6.8683 -6.8219 -6.8219 -6.7951 -6.7951 -6.7401 -6.7401 -5.7314 -5.7314 -5.6461 -5.6461 -4.5225 -4.5225 -4.4807 -4.4807 -4.2396 -4.2396 -4.2050 -4.2050 -4.1334 -4.1334 -4.0963 -4.0963 1.0946 1.0946 1.7598 1.7598 5.2216 5.2216 7.4072 7.4072 8.9389 8.9389 9.3080 9.3080 10.8826 10.8826 11.6985 11.6985 12.2451 12.2451 12.6467 12.6467 13.5748 13.5748 13.9524 13.9524 k = 0.1992 0.6329 0.4535 ( 4099 PWs) bands (ev): -23.9241 -23.9241 -6.9541 -6.9541 -6.8683 -6.8683 -6.8218 -6.8218 -6.7949 -6.7949 -6.7402 -6.7402 -5.7316 -5.7316 -5.6459 -5.6459 -4.5227 -4.5227 -4.4805 -4.4805 -4.2391 -4.2391 -4.2052 -4.2052 -4.1338 -4.1338 -4.0964 -4.0964 1.0764 1.0764 1.7904 1.7904 5.2463 5.2463 7.3029 7.3029 8.9750 8.9750 9.3384 9.3384 10.8490 10.8490 11.7251 11.7251 12.1988 12.1988 12.5547 12.5547 13.5300 13.5300 14.1233 14.1233 k = 0.1811 0.6285 0.4586 ( 4100 PWs) bands (ev): -23.9241 -23.9241 -6.9543 -6.9543 -6.8683 -6.8683 -6.8218 -6.8218 -6.7948 -6.7948 -6.7403 -6.7403 -5.7318 -5.7318 -5.6457 -5.6457 -4.5228 -4.5228 -4.4803 -4.4803 -4.2386 -4.2386 -4.2053 -4.2053 -4.1342 -4.1342 -4.0966 -4.0966 1.0588 1.0588 1.8195 1.8195 5.2781 5.2781 7.1918 7.1918 9.0128 9.0128 9.3741 9.3741 10.8176 10.8176 11.7493 11.7493 12.1385 12.1385 12.4832 12.4832 13.4850 13.4850 14.2935 14.2935 k = 0.1630 0.6241 0.4636 ( 4097 PWs) bands (ev): -23.9241 -23.9241 -6.9545 -6.9545 -6.8683 -6.8683 -6.8217 -6.8217 -6.7947 -6.7947 -6.7405 -6.7405 -5.7320 -5.7320 -5.6455 -5.6455 -4.5229 -4.5229 -4.4801 -4.4801 -4.2381 -4.2381 -4.2055 -4.2055 -4.1346 -4.1346 -4.0967 -4.0967 1.0422 1.0422 1.8467 1.8467 5.3168 5.3168 7.0766 7.0766 9.0505 9.0505 9.4139 9.4139 10.7893 10.7893 11.7692 11.7692 12.0653 12.0653 12.4336 12.4336 13.4428 13.4428 14.4580 14.4580 k = 0.1449 0.6197 0.4687 ( 4095 PWs) bands (ev): -23.9241 -23.9241 -6.9546 -6.9546 -6.8684 -6.8684 -6.8216 -6.8216 -6.7946 -6.7946 -6.7406 -6.7406 -5.7322 -5.7322 -5.6453 -5.6453 -4.5229 -4.5229 -4.4798 -4.4798 -4.2377 -4.2377 -4.2057 -4.2057 -4.1350 -4.1350 -4.0969 -4.0969 1.0269 1.0269 1.8714 1.8714 5.3622 5.3622 6.9595 6.9595 9.0863 9.0863 9.4564 9.4564 10.7651 10.7651 11.7800 11.7800 11.9881 11.9881 12.4020 12.4020 13.4043 13.4043 14.6141 14.6141 k = 0.1268 0.6153 0.4737 ( 4096 PWs) bands (ev): -23.9241 -23.9241 -6.9548 -6.9548 -6.8684 -6.8684 -6.8216 -6.8216 -6.7944 -6.7944 -6.7407 -6.7407 -5.7323 -5.7323 -5.6451 -5.6451 -4.5230 -4.5230 -4.4797 -4.4797 -4.2373 -4.2373 -4.2059 -4.2059 -4.1354 -4.1354 -4.0970 -4.0970 1.0131 1.0131 1.8935 1.8935 5.4139 5.4139 6.8421 6.8421 9.1194 9.1194 9.4999 9.4999 10.7457 10.7457 11.7690 11.7690 11.9257 11.9257 12.3829 12.3829 13.3700 13.3700 14.7590 14.7590 k = 0.1086 0.6109 0.4788 ( 4097 PWs) bands (ev): -23.9240 -23.9240 -6.9549 -6.9549 -6.8684 -6.8684 -6.8215 -6.8215 -6.7943 -6.7943 -6.7408 -6.7408 -5.7324 -5.7324 -5.6449 -5.6449 -4.5231 -4.5231 -4.4795 -4.4795 -4.2369 -4.2369 -4.2061 -4.2061 -4.1356 -4.1356 -4.0972 -4.0972 1.0009 1.0009 1.9129 1.9129 5.4716 5.4716 6.7261 6.7261 9.1492 9.1492 9.5424 9.5424 10.7320 10.7320 11.7205 11.7205 11.8985 11.8985 12.3722 12.3722 13.3401 13.3401 14.8867 14.8867 k = 0.0905 0.6065 0.4839 ( 4095 PWs) bands (ev): -23.9240 -23.9240 -6.9550 -6.9550 -6.8685 -6.8685 -6.8214 -6.8214 -6.7942 -6.7942 -6.7408 -6.7408 -5.7325 -5.7325 -5.6448 -5.6448 -4.5231 -4.5231 -4.4793 -4.4793 -4.2365 -4.2365 -4.2063 -4.2063 -4.1359 -4.1359 -4.0973 -4.0973 0.9905 0.9905 1.9293 1.9293 5.5342 5.5342 6.6131 6.6131 9.1752 9.1752 9.5819 9.5819 10.7242 10.7242 11.6492 11.6492 11.8956 11.8956 12.3669 12.3669 13.3147 13.3147 14.9848 14.9848 k = 0.0724 0.6021 0.4889 ( 4101 PWs) bands (ev): -23.9240 -23.9240 -6.9551 -6.9551 -6.8685 -6.8685 -6.8213 -6.8213 -6.7942 -6.7942 -6.7409 -6.7409 -5.7326 -5.7326 -5.6446 -5.6446 -4.5231 -4.5231 -4.4792 -4.4792 -4.2363 -4.2363 -4.2065 -4.2065 -4.1361 -4.1361 -4.0974 -4.0974 0.9819 0.9819 1.9428 1.9428 5.6006 5.6006 6.5049 6.5049 9.1972 9.1972 9.6167 9.6167 10.7221 10.7221 11.5759 11.5759 11.8998 11.8998 12.3650 12.3650 13.2938 13.2938 15.0429 15.0429 k = 0.0543 0.5977 0.4940 ( 4103 PWs) bands (ev): -23.9240 -23.9240 -6.9552 -6.9552 -6.8686 -6.8686 -6.8213 -6.8213 -6.7941 -6.7941 -6.7409 -6.7409 -5.7327 -5.7327 -5.6445 -5.6445 -4.5231 -4.5231 -4.4791 -4.4791 -4.2360 -4.2360 -4.2066 -4.2066 -4.1363 -4.1363 -4.0975 -4.0975 0.9751 0.9751 1.9533 1.9533 5.6682 5.6682 6.4044 6.4044 9.2147 9.2147 9.6451 9.6451 10.7248 10.7248 11.5103 11.5103 11.9048 11.9048 12.3652 12.3652 13.2775 13.2775 15.0684 15.0684 k = 0.0362 0.5933 0.4990 ( 4101 PWs) bands (ev): -23.9240 -23.9240 -6.9553 -6.9553 -6.8686 -6.8686 -6.8212 -6.8212 -6.7940 -6.7940 -6.7410 -6.7410 -5.7327 -5.7327 -5.6444 -5.6444 -4.5232 -4.5232 -4.4790 -4.4790 -4.2358 -4.2358 -4.2067 -4.2067 -4.1364 -4.1364 -4.0976 -4.0976 0.9703 0.9703 1.9607 1.9607 5.7324 5.7324 6.3166 6.3166 9.2275 9.2275 9.6660 9.6660 10.7300 10.7300 11.4584 11.4584 11.9089 11.9089 12.3661 12.3661 13.2658 13.2658 15.0766 15.0766 k = 0.0181 0.5888 0.5041 ( 4099 PWs) bands (ev): -23.9240 -23.9240 -6.9553 -6.9553 -6.8686 -6.8686 -6.8212 -6.8212 -6.7940 -6.7940 -6.7410 -6.7410 -5.7327 -5.7327 -5.6444 -5.6444 -4.5232 -4.5232 -4.4790 -4.4790 -4.2357 -4.2357 -4.2068 -4.2068 -4.1365 -4.1365 -4.0977 -4.0977 0.9673 0.9673 1.9652 1.9652 5.7830 5.7830 6.2517 6.2517 9.2353 9.2353 9.6788 9.6788 10.7349 10.7349 11.4248 11.4248 11.9114 11.9114 12.3670 12.3670 13.2588 13.2588 15.0781 15.0781 k = 0.0000 0.5844 0.5091 ( 4086 PWs) bands (ev): -23.9240 -23.9240 -6.9553 -6.9553 -6.8686 -6.8686 -6.8212 -6.8212 -6.7940 -6.7940 -6.7410 -6.7410 -5.7327 -5.7327 -5.6444 -5.6444 -4.5232 -4.5232 -4.4789 -4.4789 -4.2357 -4.2357 -4.2068 -4.2068 -4.1365 -4.1365 -4.0977 -4.0977 0.9664 0.9664 1.9667 1.9667 5.8035 5.8035 6.2265 6.2265 9.2379 9.2379 9.6831 9.6831 10.7369 10.7369 11.4131 11.4131 11.9122 11.9122 12.3674 12.3674 13.2564 13.2564 15.0781 15.0781 k = 0.0000 0.5844 0.5091 ( 4086 PWs) bands (ev): -23.9240 -23.9240 -6.9553 -6.9553 -6.8686 -6.8686 -6.8212 -6.8212 -6.7940 -6.7940 -6.7410 -6.7410 -5.7327 -5.7327 -5.6444 -5.6444 -4.5232 -4.5232 -4.4789 -4.4789 -4.2357 -4.2357 -4.2068 -4.2068 -4.1365 -4.1365 -4.0977 -4.0977 0.9664 0.9664 1.9667 1.9667 5.8035 5.8035 6.2265 6.2265 9.2379 9.2379 9.6831 9.6831 10.7369 10.7369 11.4131 11.4131 11.9122 11.9122 12.3674 12.3674 13.2564 13.2564 15.0781 15.0781 k = 0.0069 0.5721 0.5233 ( 4090 PWs) bands (ev): -23.9240 -23.9240 -6.9553 -6.9553 -6.8686 -6.8686 -6.8212 -6.8212 -6.7940 -6.7940 -6.7410 -6.7410 -5.7327 -5.7327 -5.6444 -5.6444 -4.5232 -4.5232 -4.4789 -4.4789 -4.2357 -4.2357 -4.2067 -4.2067 -4.1366 -4.1366 -4.0976 -4.0976 0.9669 0.9669 1.9680 1.9680 5.8032 5.8032 6.2269 6.2269 9.2269 9.2269 9.6820 9.6820 10.7110 10.7110 11.4159 11.4159 11.9411 11.9411 12.3777 12.3777 13.2591 13.2591 15.0689 15.0689 k = 0.0139 0.5598 0.5374 ( 4090 PWs) bands (ev): -23.9240 -23.9240 -6.9553 -6.9553 -6.8685 -6.8685 -6.8215 -6.8215 -6.7941 -6.7941 -6.7410 -6.7410 -5.7326 -5.7326 -5.6446 -5.6446 -4.5233 -4.5233 -4.4786 -4.4786 -4.2358 -4.2358 -4.2064 -4.2064 -4.1369 -4.1369 -4.0974 -4.0974 0.9684 0.9684 1.9717 1.9717 5.8022 5.8022 6.2282 6.2282 9.1952 9.1952 9.6775 9.6775 10.6411 10.6411 11.4221 11.4221 12.0218 12.0218 12.4084 12.4084 13.2670 13.2670 15.0401 15.0401 k = 0.0208 0.5475 0.5516 ( 4090 PWs) bands (ev): -23.9240 -23.9240 -6.9552 -6.9552 -6.8684 -6.8684 -6.8218 -6.8218 -6.7943 -6.7943 -6.7409 -6.7409 -5.7324 -5.7324 -5.6448 -5.6448 -4.5235 -4.5235 -4.4782 -4.4782 -4.2358 -4.2358 -4.2060 -4.2060 -4.1373 -4.1373 -4.0970 -4.0970 0.9710 0.9710 1.9779 1.9779 5.8006 5.8006 6.2304 6.2304 9.1457 9.1457 9.6673 9.6673 10.5432 10.5432 11.4292 11.4292 12.1414 12.1414 12.4587 12.4587 13.2801 13.2801 14.9898 14.9898 k = 0.0278 0.5352 0.5657 ( 4094 PWs) bands (ev): -23.9239 -23.9239 -6.9551 -6.9551 -6.8683 -6.8683 -6.8223 -6.8223 -6.7945 -6.7945 -6.7409 -6.7409 -5.7321 -5.7321 -5.6450 -5.6450 -4.5238 -4.5238 -4.4776 -4.4776 -4.2360 -4.2360 -4.2053 -4.2053 -4.1379 -4.1379 -4.0966 -4.0966 0.9747 0.9747 1.9866 1.9866 5.7982 5.7982 6.2332 6.2332 9.0818 9.0818 9.6486 9.6486 10.4314 10.4314 11.4361 11.4361 12.2870 12.2870 12.5274 12.5274 13.2984 13.2984 14.9172 14.9172 k = 0.0347 0.5228 0.5798 ( 4094 PWs) bands (ev): -23.9239 -23.9239 -6.9550 -6.9550 -6.8681 -6.8681 -6.8228 -6.8228 -6.7948 -6.7948 -6.7408 -6.7408 -5.7317 -5.7317 -5.6454 -5.6454 -4.5242 -4.5242 -4.4769 -4.4769 -4.2361 -4.2361 -4.2045 -4.2045 -4.1387 -4.1387 -4.0960 -4.0960 0.9793 0.9793 1.9977 1.9977 5.7952 5.7952 6.2365 6.2365 9.0070 9.0070 9.6188 9.6188 10.3158 10.3158 11.4429 11.4429 12.4483 12.4483 12.6138 12.6138 13.3218 13.3218 14.8253 14.8253 k = 0.0417 0.5105 0.5940 ( 4094 PWs) bands (ev): -23.9238 -23.9238 -6.9549 -6.9549 -6.8678 -6.8678 -6.8236 -6.8236 -6.7952 -6.7952 -6.7407 -6.7407 -5.7313 -5.7313 -5.6458 -5.6458 -4.5246 -4.5246 -4.4760 -4.4760 -4.2363 -4.2363 -4.2035 -4.2035 -4.1396 -4.1396 -4.0952 -4.0952 0.9849 0.9849 2.0112 2.0112 5.7913 5.7913 6.2401 6.2401 8.9240 8.9240 9.5761 9.5761 10.2030 10.2030 11.4496 11.4496 12.6149 12.6149 12.7202 12.7202 13.3506 13.3506 14.7195 14.7195 k = 0.0486 0.4982 0.6081 ( 4094 PWs) bands (ev): -23.9237 -23.9237 -6.9548 -6.9548 -6.8675 -6.8675 -6.8244 -6.8244 -6.7956 -6.7956 -6.7407 -6.7407 -5.7308 -5.7308 -5.6463 -5.6463 -4.5251 -4.5251 -4.4750 -4.4750 -4.2365 -4.2365 -4.2024 -4.2024 -4.1406 -4.1406 -4.0944 -4.0944 0.9915 0.9915 2.0271 2.0271 5.7867 5.7867 6.2437 6.2437 8.8353 8.8353 9.5194 9.5194 10.0973 10.0973 11.4563 11.4563 12.7685 12.7685 12.8579 12.8579 13.3855 13.3855 14.6056 14.6056 k = 0.0556 0.4859 0.6223 ( 4102 PWs) bands (ev): -23.9237 -23.9237 -6.9547 -6.9547 -6.8672 -6.8672 -6.8253 -6.8253 -6.7960 -6.7960 -6.7406 -6.7406 -5.7304 -5.7304 -5.6467 -5.6467 -4.5255 -4.5255 -4.4739 -4.4739 -4.2367 -4.2367 -4.2011 -4.2011 -4.1417 -4.1417 -4.0936 -4.0936 0.9990 0.9990 2.0454 2.0454 5.7811 5.7811 6.2468 6.2468 8.7428 8.7428 9.4491 9.4491 10.0009 10.0009 11.4626 11.4626 12.9010 12.9010 13.0281 13.0281 13.4285 13.4285 14.4884 14.4884 k = 0.0625 0.4736 0.6364 ( 4098 PWs) bands (ev): -23.9236 -23.9236 -6.9545 -6.9545 -6.8669 -6.8669 -6.8263 -6.8263 -6.7965 -6.7965 -6.7406 -6.7406 -5.7298 -5.7298 -5.6472 -5.6472 -4.5261 -4.5261 -4.4727 -4.4727 -4.2370 -4.2370 -4.1997 -4.1997 -4.1429 -4.1429 -4.0926 -4.0926 1.0073 1.0073 2.0660 2.0660 5.7746 5.7746 6.2491 6.2491 8.6482 8.6482 9.3671 9.3671 9.9141 9.9141 11.4683 11.4683 13.0266 13.0266 13.2063 13.2063 13.4854 13.4854 14.3721 14.3721 k = 0.0694 0.4612 0.6506 ( 4096 PWs) bands (ev): -23.9235 -23.9235 -6.9543 -6.9543 -6.8665 -6.8665 -6.8273 -6.8273 -6.7971 -6.7971 -6.7406 -6.7406 -5.7293 -5.7293 -5.6477 -5.6477 -4.5266 -4.5266 -4.4714 -4.4714 -4.2373 -4.2373 -4.1982 -4.1982 -4.1442 -4.1442 -4.0916 -4.0916 1.0166 1.0166 2.0889 2.0889 5.7670 5.7670 6.2501 6.2501 8.5528 8.5528 9.2768 9.2768 9.8353 9.8353 11.4727 11.4727 13.1484 13.1484 13.3688 13.3688 13.5723 13.5723 14.2603 14.2603 k = 0.0764 0.4489 0.6647 ( 4098 PWs) bands (ev): -23.9234 -23.9234 -6.9541 -6.9541 -6.8661 -6.8661 -6.8285 -6.8285 -6.7976 -6.7976 -6.7406 -6.7406 -5.7288 -5.7288 -5.6481 -5.6481 -4.5271 -4.5271 -4.4701 -4.4701 -4.2376 -4.2376 -4.1965 -4.1965 -4.1455 -4.1455 -4.0905 -4.0905 1.0266 1.0266 2.1140 2.1140 5.7584 5.7584 6.2493 6.2493 8.4580 8.4580 9.1821 9.1821 9.7625 9.7625 11.4751 11.4751 13.2611 13.2611 13.4943 13.4943 13.7090 13.7090 14.1587 14.1587 k = 0.0833 0.4366 0.6788 ( 4098 PWs) bands (ev): -23.9232 -23.9232 -6.9539 -6.9539 -6.8656 -6.8656 -6.8297 -6.8297 -6.7983 -6.7983 -6.7406 -6.7406 -5.7284 -5.7284 -5.6485 -5.6485 -4.5277 -4.5277 -4.4687 -4.4687 -4.2379 -4.2379 -4.1948 -4.1948 -4.1468 -4.1468 -4.0894 -4.0894 1.0374 1.0374 2.1412 2.1412 5.7485 5.7485 6.2460 6.2460 8.3647 8.3647 9.0864 9.0864 9.6936 9.6936 11.4746 11.4746 13.3565 13.3565 13.6013 13.6013 13.8613 13.8613 14.0894 14.0894 k = 0.0903 0.4243 0.6930 ( 4096 PWs) bands (ev): -23.9231 -23.9231 -6.9537 -6.9537 -6.8651 -6.8651 -6.8309 -6.8309 -6.7989 -6.7989 -6.7407 -6.7407 -5.7280 -5.7280 -5.6488 -5.6488 -4.5282 -4.5282 -4.4673 -4.4673 -4.2383 -4.2383 -4.1930 -4.1930 -4.1482 -4.1482 -4.0882 -4.0882 1.0489 1.0489 2.1705 2.1705 5.7373 5.7373 6.2395 6.2395 8.2742 8.2742 8.9928 8.9928 9.6272 9.6272 11.4705 11.4705 13.4311 13.4311 13.7128 13.7128 13.8979 13.8979 14.1624 14.1624 k = 0.0972 0.4120 0.7071 ( 4096 PWs) bands (ev): -23.9230 -23.9230 -6.9535 -6.9535 -6.8646 -6.8646 -6.8322 -6.8322 -6.7996 -6.7996 -6.7409 -6.7409 -5.7276 -5.7276 -5.6491 -5.6491 -4.5287 -4.5287 -4.4658 -4.4658 -4.2387 -4.2387 -4.1911 -4.1911 -4.1496 -4.1496 -4.0871 -4.0871 1.0610 1.0610 2.2018 2.2018 5.7248 5.7248 6.2292 6.2292 8.1871 8.1871 8.9034 8.9034 9.5624 9.5624 11.4617 11.4617 13.4886 13.4886 13.8076 13.8076 13.8648 13.8648 14.3467 14.3467 k = 0.1042 0.3996 0.7213 ( 4108 PWs) bands (ev): -23.9229 -23.9229 -6.9532 -6.9532 -6.8641 -6.8641 -6.8335 -6.8335 -6.8002 -6.8002 -6.7411 -6.7411 -5.7274 -5.7274 -5.6492 -5.6492 -4.5292 -4.5292 -4.4643 -4.4643 -4.2392 -4.2392 -4.1892 -4.1892 -4.1509 -4.1509 -4.0859 -4.0859 1.0737 1.0737 2.2350 2.2350 5.7109 5.7109 6.2145 6.2145 8.1044 8.1044 8.8201 8.8201 9.4987 9.4987 11.4474 11.4474 13.5329 13.5329 13.7685 13.7685 13.9647 13.9647 14.5497 14.5497 k = 0.1111 0.3873 0.7354 ( 4102 PWs) bands (ev): -23.9227 -23.9227 -6.9530 -6.9530 -6.8635 -6.8635 -6.8348 -6.8348 -6.8009 -6.8009 -6.7413 -6.7413 -5.7272 -5.7272 -5.6492 -5.6492 -4.5297 -4.5297 -4.4628 -4.4628 -4.2396 -4.2396 -4.1873 -4.1873 -4.1522 -4.1522 -4.0847 -4.0847 1.0869 1.0869 2.2699 2.2699 5.6955 5.6955 6.1947 6.1947 8.0267 8.0267 8.7441 8.7441 9.4358 9.4358 11.4267 11.4267 13.5628 13.5628 13.7263 13.7263 14.0797 14.0797 14.7557 14.7557 k = 0.1181 0.3750 0.7496 ( 4102 PWs) bands (ev): -23.9226 -23.9226 -6.9527 -6.9527 -6.8629 -6.8629 -6.8361 -6.8361 -6.8016 -6.8016 -6.7416 -6.7416 -5.7272 -5.7272 -5.6492 -5.6492 -4.5301 -4.5301 -4.4613 -4.4613 -4.2401 -4.2401 -4.1853 -4.1853 -4.1535 -4.1535 -4.0834 -4.0834 1.1004 1.1004 2.3065 2.3065 5.6788 5.6788 6.1694 6.1694 7.9545 7.9545 8.6763 8.6763 9.3737 9.3737 11.3989 11.3989 13.5710 13.5710 13.7124 13.7124 14.1853 14.1853 14.9597 14.9597 k = 0.1250 0.3627 0.7637 ( 4094 PWs) bands (ev): -23.9225 -23.9225 -6.9525 -6.9525 -6.8623 -6.8623 -6.8375 -6.8375 -6.8023 -6.8023 -6.7419 -6.7419 -5.7272 -5.7272 -5.6490 -5.6490 -4.5305 -4.5305 -4.4598 -4.4598 -4.2407 -4.2407 -4.1834 -4.1834 -4.1548 -4.1548 -4.0822 -4.0822 1.1143 1.1143 2.3446 2.3446 5.6606 5.6606 6.1384 6.1384 7.8884 7.8884 8.6175 8.6175 9.3124 9.3124 11.3638 11.3638 13.5607 13.5607 13.7268 13.7268 14.2764 14.2764 15.1571 15.1571 k = 0.1319 0.3504 0.7778 ( 4098 PWs) bands (ev): -23.9223 -23.9223 -6.9522 -6.9522 -6.8617 -6.8617 -6.8388 -6.8388 -6.8030 -6.8030 -6.7423 -6.7423 -5.7274 -5.7274 -5.6486 -5.6486 -4.5309 -4.5309 -4.4583 -4.4583 -4.2412 -4.2412 -4.1814 -4.1814 -4.1560 -4.1560 -4.0810 -4.0810 1.1283 1.1283 2.3840 2.3840 5.6411 5.6411 6.1014 6.1014 7.8284 7.8284 8.5680 8.5680 9.2523 9.2523 11.3214 11.3214 13.5482 13.5482 13.7544 13.7544 14.3501 14.3501 15.3420 15.3420 k = 0.1389 0.3380 0.7920 ( 4096 PWs) bands (ev): -23.9222 -23.9222 -6.9520 -6.9520 -6.8611 -6.8611 -6.8400 -6.8400 -6.8036 -6.8036 -6.7427 -6.7427 -5.7276 -5.7276 -5.6482 -5.6482 -4.5313 -4.5313 -4.4568 -4.4568 -4.2418 -4.2418 -4.1795 -4.1795 -4.1571 -4.1571 -4.0798 -4.0798 1.1425 1.1425 2.4246 2.4246 5.6204 5.6204 6.0588 6.0588 7.7747 7.7747 8.5280 8.5280 9.1934 9.1934 11.2719 11.2719 13.5429 13.5429 13.7862 13.7862 14.4053 14.4053 15.5068 15.5068 k = 0.1458 0.3257 0.8061 ( 4090 PWs) bands (ev): -23.9221 -23.9221 -6.9518 -6.9518 -6.8605 -6.8605 -6.8413 -6.8413 -6.8043 -6.8043 -6.7432 -6.7432 -5.7279 -5.7279 -5.6477 -5.6477 -4.5317 -4.5317 -4.4554 -4.4554 -4.2424 -4.2424 -4.1776 -4.1776 -4.1582 -4.1582 -4.0787 -4.0787 1.1567 1.1567 2.4660 2.4660 5.5987 5.5987 6.0110 6.0110 7.7270 7.7270 8.4974 8.4974 9.1360 9.1360 11.2162 11.2162 13.5474 13.5474 13.8191 13.8191 14.4432 14.4432 15.6443 15.6443 k = 0.1528 0.3134 0.8203 ( 4090 PWs) bands (ev): -23.9219 -23.9219 -6.9515 -6.9515 -6.8599 -6.8599 -6.8425 -6.8425 -6.8049 -6.8049 -6.7437 -6.7437 -5.7283 -5.7283 -5.6471 -5.6471 -4.5320 -4.5320 -4.4540 -4.4540 -4.2430 -4.2430 -4.1758 -4.1758 -4.1592 -4.1592 -4.0775 -4.0775 1.1707 1.1707 2.5081 2.5081 5.5761 5.5761 5.9587 5.9587 7.6853 7.6853 8.4759 8.4759 9.0805 9.0805 11.1551 11.1551 13.5623 13.5623 13.8518 13.8518 14.4660 14.4660 15.7536 15.7536 k = 0.1597 0.3011 0.8344 ( 4088 PWs) bands (ev): -23.9218 -23.9218 -6.9513 -6.9513 -6.8594 -6.8594 -6.8436 -6.8436 -6.8054 -6.8054 -6.7442 -6.7442 -5.7288 -5.7288 -5.6464 -5.6464 -4.5323 -4.5323 -4.4527 -4.4527 -4.2436 -4.2436 -4.1741 -4.1741 -4.1602 -4.1602 -4.0764 -4.0764 1.1846 1.1846 2.5506 2.5506 5.5529 5.5529 5.9029 5.9029 7.6490 7.6490 8.4628 8.4628 9.0271 9.0271 11.0899 11.0899 13.5869 13.5869 13.8839 13.8839 14.4767 14.4767 15.8400 15.8400 k = 0.1667 0.2888 0.8486 ( 4082 PWs) bands (ev): -23.9217 -23.9217 -6.9511 -6.9511 -6.8588 -6.8588 -6.8447 -6.8447 -6.8060 -6.8060 -6.7447 -6.7447 -5.7293 -5.7293 -5.6456 -5.6456 -4.5325 -4.5325 -4.4514 -4.4514 -4.2442 -4.2442 -4.1724 -4.1724 -4.1610 -4.1610 -4.0754 -4.0754 1.1980 1.1980 2.5931 2.5931 5.5295 5.5295 5.8445 5.8445 7.6179 7.6179 8.4574 8.4574 8.9761 8.9761 11.0216 11.0216 13.6204 13.6204 13.9153 13.9153 14.4782 14.4782 15.9089 15.9089 k = 0.1736 0.2764 0.8627 ( 4082 PWs) bands (ev): -23.9216 -23.9216 -6.9509 -6.9509 -6.8582 -6.8582 -6.8457 -6.8457 -6.8065 -6.8065 -6.7453 -6.7453 -5.7299 -5.7299 -5.6448 -5.6448 -4.5328 -4.5328 -4.4502 -4.4502 -4.2448 -4.2448 -4.1708 -4.1708 -4.1618 -4.1618 -4.0744 -4.0744 1.2111 1.2111 2.6352 2.6352 5.5061 5.5061 5.7847 5.7847 7.5914 7.5914 8.4587 8.4587 8.9280 8.9280 10.9518 10.9518 13.6614 13.6614 13.9457 13.9457 14.4728 14.4728 15.9630 15.9630 k = 0.1806 0.2641 0.8768 ( 4082 PWs) bands (ev): -23.9215 -23.9215 -6.9507 -6.9507 -6.8577 -6.8577 -6.8467 -6.8467 -6.8070 -6.8070 -6.7459 -6.7459 -5.7305 -5.7305 -5.6441 -5.6441 -4.5330 -4.5330 -4.4491 -4.4491 -4.2453 -4.2453 -4.1694 -4.1694 -4.1624 -4.1624 -4.0735 -4.0735 1.2235 1.2235 2.6765 2.6765 5.4832 5.4832 5.7247 5.7247 7.5692 7.5692 8.4657 8.4657 8.8830 8.8830 10.8815 10.8815 13.7087 13.7087 13.9754 13.9754 14.4628 14.4628 16.0014 16.0014 k = 0.1875 0.2518 0.8910 ( 4074 PWs) bands (ev): -23.9214 -23.9214 -6.9505 -6.9505 -6.8572 -6.8572 -6.8476 -6.8476 -6.8074 -6.8074 -6.7464 -6.7464 -5.7310 -5.7310 -5.6433 -5.6433 -4.5332 -4.5332 -4.4481 -4.4481 -4.2459 -4.2459 -4.1681 -4.1681 -4.1630 -4.1630 -4.0726 -4.0726 1.2351 1.2351 2.7166 2.7166 5.4610 5.4610 5.6656 5.6656 7.5507 7.5507 8.4770 8.4770 8.8416 8.8416 10.8123 10.8123 13.7606 13.7606 14.0043 14.0043 14.4496 14.4496 16.0199 16.0199 k = 0.1944 0.2395 0.9051 ( 4072 PWs) bands (ev): -23.9213 -23.9213 -6.9503 -6.9503 -6.8568 -6.8568 -6.8484 -6.8484 -6.8078 -6.8078 -6.7469 -6.7469 -5.7316 -5.7316 -5.6425 -5.6425 -4.5333 -4.5333 -4.4471 -4.4471 -4.2464 -4.2464 -4.1670 -4.1670 -4.1634 -4.1634 -4.0718 -4.0718 1.2460 1.2460 2.7548 2.7548 5.4399 5.4399 5.6087 5.6087 7.5356 7.5356 8.4914 8.4914 8.8044 8.8044 10.7453 10.7453 13.8155 13.8155 14.0324 14.0324 14.4346 14.4346 16.0129 16.0129 k = 0.2014 0.2272 0.9193 ( 4066 PWs) bands (ev): -23.9212 -23.9212 -6.9501 -6.9501 -6.8564 -6.8564 -6.8491 -6.8491 -6.8081 -6.8081 -6.7474 -6.7474 -5.7321 -5.7321 -5.6418 -5.6418 -4.5335 -4.5335 -4.4463 -4.4463 -4.2469 -4.2469 -4.1662 -4.1662 -4.1636 -4.1636 -4.0711 -4.0711 1.2559 1.2559 2.7907 2.7907 5.4203 5.4203 5.5552 5.5552 7.5234 7.5234 8.5072 8.5072 8.7719 8.7719 10.6818 10.6818 13.8714 13.8714 14.0600 14.0600 14.4191 14.4191 15.9791 15.9791 k = 0.2083 0.2148 0.9334 ( 4068 PWs) bands (ev): -23.9211 -23.9211 -6.9500 -6.9500 -6.8560 -6.8560 -6.8497 -6.8497 -6.8084 -6.8084 -6.7479 -6.7479 -5.7326 -5.7326 -5.6412 -5.6412 -4.5336 -4.5336 -4.4455 -4.4455 -4.2473 -4.2473 -4.1658 -4.1658 -4.1634 -4.1634 -4.0704 -4.0704 1.2647 1.2647 2.8236 2.8236 5.4024 5.4024 5.5061 5.5061 7.5139 7.5139 8.5227 8.5227 8.7448 8.7448 10.6232 10.6232 13.9261 13.9261 14.0869 14.0869 14.4040 14.4040 15.9249 15.9249 k = 0.2153 0.2025 0.9476 ( 4074 PWs) bands (ev): -23.9211 -23.9211 -6.9499 -6.9499 -6.8557 -6.8557 -6.8503 -6.8503 -6.8086 -6.8086 -6.7483 -6.7483 -5.7330 -5.7330 -5.6406 -5.6406 -4.5337 -4.5337 -4.4449 -4.4449 -4.2477 -4.2477 -4.1658 -4.1658 -4.1629 -4.1629 -4.0699 -4.0699 1.2724 1.2724 2.8529 2.8529 5.3866 5.3866 5.4626 5.4626 7.5065 7.5065 8.5363 8.5363 8.7238 8.7238 10.5707 10.5707 13.9770 13.9770 14.1126 14.1126 14.3907 14.3907 15.8606 15.8606 k = 0.2222 0.1902 0.9617 ( 4072 PWs) bands (ev): -23.9210 -23.9210 -6.9498 -6.9498 -6.8554 -6.8554 -6.8507 -6.8507 -6.8088 -6.8088 -6.7486 -6.7486 -5.7334 -5.7334 -5.6401 -5.6401 -4.5338 -4.5338 -4.4443 -4.4443 -4.2480 -4.2480 -4.1659 -4.1659 -4.1624 -4.1624 -4.0694 -4.0694 1.2787 1.2787 2.8780 2.8780 5.3730 5.3730 5.4257 5.4257 7.5010 7.5010 8.5465 8.5465 8.7094 8.7094 10.5256 10.5256 14.0219 14.0219 14.1361 14.1361 14.3805 14.3805 15.7954 15.7954 k = 0.2292 0.1779 0.9758 ( 4070 PWs) bands (ev): -23.9210 -23.9210 -6.9497 -6.9497 -6.8552 -6.8552 -6.8511 -6.8511 -6.8089 -6.8089 -6.7489 -6.7489 -5.7337 -5.7337 -5.6397 -5.6397 -4.5338 -4.5338 -4.4439 -4.4439 -4.2483 -4.2483 -4.1660 -4.1660 -4.1620 -4.1620 -4.0691 -4.0691 1.2838 1.2838 2.8982 2.8982 5.3617 5.3617 5.3965 5.3965 7.4970 7.4970 8.5526 8.5526 8.7012 8.7012 10.4891 10.4891 14.0590 14.0590 14.1549 14.1549 14.3747 14.3747 15.7365 15.7365 k = 0.2361 0.1656 0.9900 ( 4068 PWs) bands (ev): -23.9209 -23.9209 -6.9497 -6.9497 -6.8551 -6.8551 -6.8513 -6.8513 -6.8090 -6.8090 -6.7491 -6.7491 -5.7339 -5.7339 -5.6394 -5.6394 -4.5339 -4.5339 -4.4436 -4.4436 -4.2484 -4.2484 -4.1662 -4.1662 -4.1616 -4.1616 -4.0688 -4.0688 1.2875 1.2875 2.9131 2.9131 5.3526 5.3526 5.3760 5.3760 7.4944 7.4944 8.5553 8.5553 8.6978 8.6978 10.4621 10.4621 14.0877 14.0877 14.1666 14.1666 14.3735 14.3735 15.6898 15.6898 k = 0.2431 0.1532 1.0041 ( 4062 PWs) bands (ev): -23.9209 -23.9209 -6.9496 -6.9496 -6.8550 -6.8550 -6.8515 -6.8515 -6.8091 -6.8091 -6.7493 -6.7493 -5.7340 -5.7340 -5.6393 -5.6393 -4.5339 -4.5339 -4.4434 -4.4434 -4.2485 -4.2485 -4.1662 -4.1662 -4.1614 -4.1614 -4.0687 -4.0687 1.2897 1.2897 2.9221 2.9221 5.3459 5.3459 5.3647 5.3647 7.4929 7.4929 8.5560 8.5560 8.6970 8.6970 10.4456 10.4456 14.1067 14.1067 14.1713 14.1713 14.3749 14.3749 15.6596 15.6596 k = 0.2500 0.1409 1.0183 ( 4068 PWs) bands (ev): -23.9209 -23.9209 -6.9496 -6.9496 -6.8550 -6.8550 -6.8515 -6.8515 -6.8091 -6.8091 -6.7493 -6.7493 -5.7341 -5.7341 -5.6392 -5.6392 -4.5339 -4.5339 -4.4434 -4.4434 -4.2486 -4.2486 -4.1662 -4.1662 -4.1613 -4.1613 -4.0686 -4.0686 1.2904 1.2904 2.9252 2.9252 5.3433 5.3433 5.3612 5.3612 7.4924 7.4924 8.5560 8.5560 8.6969 8.6969 10.4400 10.4400 14.1136 14.1136 14.1720 14.1720 14.3758 14.3758 15.6492 15.6492 k = 0.2500 0.1409 1.0183 ( 4068 PWs) bands (ev): -23.9209 -23.9209 -6.9496 -6.9496 -6.8550 -6.8550 -6.8515 -6.8515 -6.8091 -6.8091 -6.7493 -6.7493 -5.7341 -5.7341 -5.6392 -5.6392 -4.5339 -4.5339 -4.4434 -4.4434 -4.2486 -4.2486 -4.1662 -4.1662 -4.1613 -4.1613 -4.0686 -4.0686 1.2904 1.2904 2.9252 2.9252 5.3433 5.3433 5.3612 5.3612 7.4924 7.4924 8.5560 8.5560 8.6969 8.6969 10.4400 10.4400 14.1136 14.1136 14.1720 14.1720 14.3758 14.3758 15.6492 15.6492 k = 0.2647 0.1492 1.0088 ( 4063 PWs) bands (ev): -23.9209 -23.9209 -6.9496 -6.9496 -6.8550 -6.8550 -6.8515 -6.8515 -6.8091 -6.8091 -6.7493 -6.7493 -5.7340 -5.7340 -5.6392 -5.6392 -4.5339 -4.5339 -4.4435 -4.4435 -4.2486 -4.2486 -4.1662 -4.1662 -4.1613 -4.1613 -4.0687 -4.0687 1.2902 1.2902 2.9246 2.9246 5.3413 5.3413 5.3647 5.3647 7.4914 7.4914 8.5498 8.5498 8.7030 8.7030 10.4459 10.4459 14.0853 14.0853 14.1765 14.1765 14.3829 14.3829 15.6648 15.6648 k = 0.2794 0.1575 0.9992 ( 4068 PWs) bands (ev): -23.9209 -23.9209 -6.9496 -6.9496 -6.8552 -6.8552 -6.8513 -6.8513 -6.8091 -6.8091 -6.7493 -6.7493 -5.7340 -5.7340 -5.6392 -5.6392 -4.5337 -4.5337 -4.4438 -4.4438 -4.2485 -4.2485 -4.1660 -4.1660 -4.1614 -4.1614 -4.0688 -4.0688 1.2897 1.2897 2.9226 2.9226 5.3372 5.3372 5.3735 5.3735 7.4882 7.4882 8.5334 8.5334 8.7191 8.7191 10.4632 10.4632 14.0331 14.0331 14.1562 14.1562 14.4080 14.4080 15.7082 15.7082 k = 0.2941 0.1658 0.9897 ( 4076 PWs) bands (ev): -23.9209 -23.9209 -6.9496 -6.9496 -6.8556 -6.8556 -6.8510 -6.8510 -6.8090 -6.8090 -6.7492 -6.7492 -5.7340 -5.7340 -5.6393 -5.6393 -4.5334 -4.5334 -4.4443 -4.4443 -4.2484 -4.2484 -4.1657 -4.1657 -4.1614 -4.1614 -4.0690 -4.0690 1.2891 1.2891 2.9189 2.9189 5.3330 5.3330 5.3863 5.3863 7.4825 7.4825 8.5114 8.5114 8.7413 8.7413 10.4910 10.4910 13.9750 13.9750 14.1008 14.1008 14.4500 14.4500 15.7715 15.7715 k = 0.3088 0.1741 0.9802 ( 4075 PWs) bands (ev): -23.9209 -23.9209 -6.9495 -6.9495 -6.8559 -6.8559 -6.8506 -6.8506 -6.8090 -6.8090 -6.7492 -6.7492 -5.7339 -5.7339 -5.6394 -5.6394 -4.5330 -4.5330 -4.4450 -4.4450 -4.2482 -4.2482 -4.1653 -4.1653 -4.1615 -4.1615 -4.0693 -4.0693 1.2884 1.2884 2.9130 2.9130 5.3292 5.3292 5.4028 5.4028 7.4742 7.4742 8.4876 8.4876 8.7667 8.7667 10.5283 10.5283 13.9143 13.9143 14.0224 14.0224 14.5016 14.5016 15.8445 15.8445 k = 0.3235 0.1824 0.9707 ( 4079 PWs) bands (ev): -23.9209 -23.9209 -6.9495 -6.9495 -6.8564 -6.8564 -6.8502 -6.8502 -6.8089 -6.8089 -6.7491 -6.7491 -5.7339 -5.7339 -5.6395 -5.6395 -4.5326 -4.5326 -4.4459 -4.4459 -4.2481 -4.2481 -4.1649 -4.1649 -4.1615 -4.1615 -4.0697 -4.0697 1.2879 1.2879 2.9047 2.9047 5.3262 5.3262 5.4229 5.4229 7.4633 7.4633 8.4639 8.4639 8.7936 8.7936 10.5738 10.5738 13.8489 13.8489 13.9348 13.9348 14.5582 14.5582 15.9175 15.9175 k = 0.3382 0.1907 0.9612 ( 4082 PWs) bands (ev): -23.9210 -23.9210 -6.9494 -6.9494 -6.8568 -6.8568 -6.8498 -6.8498 -6.8088 -6.8088 -6.7490 -6.7490 -5.7338 -5.7338 -5.6397 -5.6397 -4.5320 -4.5320 -4.4470 -4.4470 -4.2479 -4.2479 -4.1645 -4.1645 -4.1614 -4.1614 -4.0702 -4.0702 1.2875 1.2875 2.8938 2.8938 5.3239 5.3239 5.4469 5.4469 7.4497 7.4497 8.4418 8.4418 8.8212 8.8212 10.6261 10.6261 13.7709 13.7709 13.8539 13.8539 14.6175 14.6175 15.9823 15.9823 k = 0.3529 0.1989 0.9517 ( 4080 PWs) bands (ev): -23.9210 -23.9210 -6.9494 -6.9494 -6.8573 -6.8573 -6.8494 -6.8494 -6.8087 -6.8087 -6.7489 -6.7489 -5.7336 -5.7336 -5.6399 -5.6399 -4.5314 -4.5314 -4.4481 -4.4481 -4.2476 -4.2476 -4.1642 -4.1642 -4.1612 -4.1612 -4.0707 -4.0707 1.2874 1.2874 2.8801 2.8801 5.3224 5.3224 5.4748 5.4748 7.4338 7.4338 8.4221 8.4221 8.8489 8.8489 10.6837 10.6837 13.6761 13.6761 13.7895 13.7895 14.6787 14.6787 16.0330 16.0330 k = 0.3676 0.2072 0.9421 ( 4080 PWs) bands (ev): -23.9210 -23.9210 -6.9493 -6.9493 -6.8578 -6.8578 -6.8490 -6.8490 -6.8086 -6.8086 -6.7488 -6.7488 -5.7335 -5.7335 -5.6401 -5.6401 -4.5307 -4.5307 -4.4494 -4.4494 -4.2474 -4.2474 -4.1641 -4.1641 -4.1607 -4.1607 -4.0712 -4.0712 1.2876 1.2876 2.8636 2.8636 5.3220 5.3220 5.5064 5.5064 7.4160 7.4160 8.4055 8.4055 8.8764 8.8764 10.7450 10.7450 13.5735 13.5735 13.7365 13.7365 14.7411 14.7411 16.0665 16.0665 k = 0.3824 0.2155 0.9326 ( 4079 PWs) bands (ev): -23.9210 -23.9210 -6.9493 -6.9493 -6.8582 -6.8582 -6.8486 -6.8486 -6.8084 -6.8084 -6.7487 -6.7487 -5.7333 -5.7333 -5.6404 -5.6404 -4.5300 -4.5300 -4.4507 -4.4507 -4.2471 -4.2471 -4.1641 -4.1641 -4.1601 -4.1601 -4.0718 -4.0718 1.2883 1.2883 2.8443 2.8443 5.3225 5.3225 5.5416 5.5416 7.3965 7.3965 8.3922 8.3922 8.9033 8.9033 10.8081 10.8081 13.4712 13.4712 13.6903 13.6903 14.8046 14.8046 16.0818 16.0818 k = 0.3971 0.2238 0.9231 ( 4086 PWs) bands (ev): -23.9210 -23.9210 -6.9492 -6.9492 -6.8587 -6.8587 -6.8483 -6.8483 -6.8083 -6.8083 -6.7485 -6.7485 -5.7331 -5.7331 -5.6407 -5.6407 -4.5293 -4.5293 -4.4520 -4.4520 -4.2469 -4.2469 -4.1643 -4.1643 -4.1594 -4.1594 -4.0724 -4.0724 1.2893 1.2893 2.8223 2.8223 5.3241 5.3241 5.5803 5.5803 7.3760 7.3760 8.3824 8.3824 8.9295 8.9295 10.8711 10.8711 13.3738 13.3738 13.6493 13.6493 14.8689 14.8689 16.0795 16.0795 k = 0.4118 0.2321 0.9136 ( 4088 PWs) bands (ev): -23.9211 -23.9211 -6.9492 -6.9492 -6.8591 -6.8591 -6.8480 -6.8480 -6.8081 -6.8081 -6.7483 -6.7483 -5.7329 -5.7329 -5.6410 -5.6410 -4.5286 -4.5286 -4.4534 -4.4534 -4.2466 -4.2466 -4.1646 -4.1646 -4.1586 -4.1586 -4.0730 -4.0730 1.2908 1.2908 2.7977 2.7977 5.3268 5.3268 5.6220 5.6220 7.3550 7.3550 8.3762 8.3762 8.9547 8.9547 10.9319 10.9319 13.2846 13.2846 13.6131 13.6131 14.9335 14.9335 16.0606 16.0606 k = 0.4265 0.2404 0.9041 ( 4087 PWs) bands (ev): -23.9211 -23.9211 -6.9491 -6.9491 -6.8595 -6.8595 -6.8476 -6.8476 -6.8080 -6.8080 -6.7481 -6.7481 -5.7326 -5.7326 -5.6414 -5.6414 -4.5279 -4.5279 -4.4546 -4.4546 -4.2464 -4.2464 -4.1649 -4.1649 -4.1578 -4.1578 -4.0736 -4.0736 1.2927 1.2927 2.7708 2.7708 5.3306 5.3306 5.6664 5.6664 7.3339 7.3339 8.3734 8.3734 8.9788 8.9788 10.9883 10.9883 13.2063 13.2063 13.5817 13.5817 14.9979 14.9979 16.0267 16.0267 k = 0.4412 0.2487 0.8946 ( 4088 PWs) bands (ev): -23.9211 -23.9211 -6.9491 -6.9491 -6.8599 -6.8599 -6.8473 -6.8473 -6.8078 -6.8078 -6.7478 -6.7478 -5.7324 -5.7324 -5.6418 -5.6418 -4.5273 -4.5273 -4.4558 -4.4558 -4.2461 -4.2461 -4.1653 -4.1653 -4.1571 -4.1571 -4.0742 -4.0742 1.2949 1.2949 2.7418 2.7418 5.3356 5.3356 5.7130 5.7130 7.3135 7.3135 8.3740 8.3740 9.0015 9.0015 11.0379 11.0379 13.1416 13.1416 13.5552 13.5552 15.0612 15.0612 15.9803 15.9803 k = 0.4559 0.2570 0.8851 ( 4092 PWs) bands (ev): -23.9212 -23.9212 -6.9491 -6.9491 -6.8602 -6.8602 -6.8470 -6.8470 -6.8076 -6.8076 -6.7475 -6.7475 -5.7320 -5.7320 -5.6422 -5.6422 -4.5268 -4.5268 -4.4569 -4.4569 -4.2459 -4.2459 -4.1657 -4.1657 -4.1564 -4.1564 -4.0747 -4.0747 1.2974 1.2974 2.7112 2.7112 5.3418 5.3418 5.7613 5.7613 7.2940 7.2940 8.3779 8.3779 9.0228 9.0228 11.0786 11.0786 13.0930 13.0930 13.5336 13.5336 15.1217 15.1217 15.9250 15.9250 k = 0.4706 0.2653 0.8755 ( 4092 PWs) bands (ev): -23.9212 -23.9212 -6.9491 -6.9491 -6.8605 -6.8605 -6.8468 -6.8468 -6.8074 -6.8074 -6.7472 -6.7472 -5.7317 -5.7317 -5.6426 -5.6426 -4.5263 -4.5263 -4.4578 -4.4578 -4.2457 -4.2457 -4.1662 -4.1662 -4.1558 -4.1558 -4.0752 -4.0752 1.3000 1.3000 2.6793 2.6793 5.3493 5.3493 5.8107 5.8107 7.2759 7.2759 8.3850 8.3850 9.0425 9.0425 11.1085 11.1085 13.0624 13.0624 13.5172 13.5172 15.1764 15.1764 15.8657 15.8657 k = 0.4853 0.2735 0.8660 ( 4090 PWs) bands (ev): -23.9213 -23.9213 -6.9491 -6.9491 -6.8608 -6.8608 -6.8465 -6.8465 -6.8072 -6.8072 -6.7469 -6.7469 -5.7314 -5.7314 -5.6431 -5.6431 -4.5260 -4.5260 -4.4585 -4.4585 -4.2455 -4.2455 -4.1667 -4.1667 -4.1553 -4.1553 -4.0757 -4.0757 1.3025 1.3025 2.6466 2.6466 5.3580 5.3580 5.8606 5.8606 7.2597 7.2597 8.3950 8.3950 9.0604 9.0604 11.1266 11.1266 13.0511 13.0511 13.5061 13.5061 15.2198 15.2198 15.8098 15.8098 k = 0.5000 0.2818 0.8565 ( 4086 PWs) bands (ev): -23.9213 -23.9213 -6.9491 -6.9491 -6.8611 -6.8611 -6.8462 -6.8462 -6.8071 -6.8071 -6.7466 -6.7466 -5.7310 -5.7310 -5.6436 -5.6436 -4.5259 -4.5259 -4.4590 -4.4590 -4.2453 -4.2453 -4.1672 -4.1672 -4.1548 -4.1548 -4.0760 -4.0760 1.3047 1.3047 2.6136 2.6136 5.3680 5.3680 5.9103 5.9103 7.2455 7.2455 8.4080 8.4080 9.0766 9.0766 11.1329 11.1329 13.0592 13.0592 13.5003 13.5003 15.2427 15.2427 15.7682 15.7682 k = 0.5000 0.2818 0.8565 ( 4086 PWs) bands (ev): -23.9213 -23.9213 -6.9491 -6.9491 -6.8611 -6.8611 -6.8462 -6.8462 -6.8071 -6.8071 -6.7466 -6.7466 -5.7310 -5.7310 -5.6436 -5.6436 -4.5259 -4.5259 -4.4590 -4.4590 -4.2453 -4.2453 -4.1672 -4.1672 -4.1548 -4.1548 -4.0760 -4.0760 1.3047 1.3047 2.6136 2.6136 5.3680 5.3680 5.9103 5.9103 7.2455 7.2455 8.4080 8.4080 9.0766 9.0766 11.1329 11.1329 13.0592 13.0592 13.5003 13.5003 15.2427 15.2427 15.7682 15.7682 k = 0.5000 0.2818 0.8361 ( 4090 PWs) bands (ev): -23.9214 -23.9214 -6.9492 -6.9492 -6.8616 -6.8616 -6.8456 -6.8456 -6.8067 -6.8067 -6.7458 -6.7458 -5.7301 -5.7301 -5.6447 -5.6447 -4.5256 -4.5256 -4.4600 -4.4600 -4.2450 -4.2450 -4.1685 -4.1685 -4.1540 -4.1540 -4.0768 -4.0768 1.3092 1.3092 2.5411 2.5411 5.3923 5.3923 6.0196 6.0196 7.2171 7.2171 8.4407 8.4407 9.1109 9.1109 11.1345 11.1345 13.0966 13.0966 13.4936 13.4936 15.2618 15.2618 15.7061 15.7061 k = 0.5000 0.2818 0.8157 ( 4082 PWs) bands (ev): -23.9215 -23.9215 -6.9493 -6.9493 -6.8622 -6.8622 -6.8449 -6.8449 -6.8062 -6.8062 -6.7450 -6.7450 -5.7292 -5.7292 -5.6458 -5.6458 -4.5253 -4.5253 -4.4610 -4.4610 -4.2448 -4.2448 -4.1698 -4.1698 -4.1531 -4.1531 -4.0777 -4.0777 1.3138 1.3138 2.4659 2.4659 5.4195 5.4195 6.1346 6.1346 7.1888 7.1888 8.4774 8.4774 9.1488 9.1488 11.1371 11.1371 13.1321 13.1321 13.4868 13.4868 15.2811 15.2811 15.6504 15.6504 k = 0.5000 0.2818 0.7953 ( 4092 PWs) bands (ev): -23.9216 -23.9216 -6.9494 -6.9494 -6.8628 -6.8628 -6.8442 -6.8442 -6.8058 -6.8058 -6.7442 -6.7442 -5.7282 -5.7282 -5.6469 -5.6469 -4.5250 -4.5250 -4.4621 -4.4621 -4.2446 -4.2446 -4.1712 -4.1712 -4.1521 -4.1521 -4.0786 -4.0786 1.3183 1.3183 2.3888 2.3888 5.4496 5.4496 6.2537 6.2537 7.1620 7.1620 8.5180 8.5180 9.1902 9.1902 11.1408 11.1408 13.1638 13.1638 13.4798 13.4798 15.2993 15.2993 15.6027 15.6027 k = 0.5000 0.2818 0.7749 ( 4084 PWs) bands (ev): -23.9217 -23.9217 -6.9495 -6.9495 -6.8635 -6.8635 -6.8433 -6.8433 -6.8053 -6.8053 -6.7434 -6.7434 -5.7272 -5.7272 -5.6481 -5.6481 -4.5247 -4.5247 -4.4632 -4.4632 -4.2444 -4.2444 -4.1727 -4.1727 -4.1510 -4.1510 -4.0796 -4.0796 1.3227 1.3227 2.3105 2.3105 5.4824 5.4824 6.3746 6.3746 7.1386 7.1386 8.5624 8.5624 9.2350 9.2350 11.1459 11.1459 13.1901 13.1901 13.4730 13.4730 15.3143 15.3143 15.5635 15.5635 k = 0.5000 0.2818 0.7545 ( 4086 PWs) bands (ev): -23.9219 -23.9219 -6.9496 -6.9496 -6.8642 -6.8642 -6.8423 -6.8423 -6.8048 -6.8048 -6.7425 -6.7425 -5.7262 -5.7262 -5.6492 -5.6492 -4.5243 -4.5243 -4.4643 -4.4643 -4.2444 -4.2444 -4.1743 -4.1743 -4.1499 -4.1499 -4.0805 -4.0805 1.3267 1.3267 2.2316 2.2316 5.5181 5.5181 6.4942 6.4942 7.1217 7.1217 8.6106 8.6106 9.2831 9.2831 11.1527 11.1527 13.2093 13.2093 13.4661 13.4661 15.3213 15.3213 15.5314 15.5314 k = 0.5000 0.2818 0.7341 ( 4090 PWs) bands (ev): -23.9220 -23.9220 -6.9497 -6.9497 -6.8649 -6.8649 -6.8413 -6.8413 -6.8043 -6.8043 -6.7416 -6.7416 -5.7252 -5.7252 -5.6503 -5.6503 -4.5239 -4.5239 -4.4655 -4.4655 -4.2445 -4.2445 -4.1759 -4.1759 -4.1486 -4.1486 -4.0815 -4.0815 1.3303 1.3303 2.1526 2.1526 5.5566 5.5566 6.6069 6.6069 7.1169 7.1169 8.6623 8.6623 9.3345 9.3345 11.1615 11.1615 13.2205 13.2205 13.4592 13.4592 15.3073 15.3073 15.5002 15.5002 k = 0.5000 0.2818 0.7138 ( 4090 PWs) bands (ev): -23.9222 -23.9222 -6.9498 -6.9498 -6.8657 -6.8657 -6.8401 -6.8401 -6.8038 -6.8038 -6.7407 -6.7407 -5.7241 -5.7241 -5.6513 -5.6513 -4.5235 -4.5235 -4.4666 -4.4666 -4.2447 -4.2447 -4.1776 -4.1776 -4.1473 -4.1473 -4.0825 -4.0825 1.3333 1.3333 2.0739 2.0739 5.5978 5.5978 6.7031 6.7031 7.1336 7.1336 8.7177 8.7177 9.3891 9.3891 11.1725 11.1725 13.2233 13.2233 13.4517 13.4517 15.2417 15.2417 15.4633 15.4633 k = 0.5000 0.2818 0.6934 ( 4088 PWs) bands (ev): -23.9224 -23.9224 -6.9499 -6.9499 -6.8665 -6.8665 -6.8389 -6.8389 -6.8033 -6.8033 -6.7398 -6.7398 -5.7231 -5.7231 -5.6523 -5.6523 -4.5231 -4.5231 -4.4677 -4.4677 -4.2450 -4.2450 -4.1793 -4.1793 -4.1459 -4.1459 -4.0835 -4.0835 1.3355 1.3355 1.9960 1.9960 5.6417 5.6417 6.7708 6.7708 7.1837 7.1837 8.7764 8.7764 9.4469 9.4469 11.1860 11.1860 13.2177 13.2177 13.4435 13.4435 15.1145 15.1145 15.4375 15.4375 k = 0.5000 0.2818 0.6730 ( 4092 PWs) bands (ev): -23.9225 -23.9225 -6.9500 -6.9500 -6.8672 -6.8672 -6.8376 -6.8376 -6.8028 -6.8028 -6.7390 -6.7390 -5.7220 -5.7220 -5.6531 -5.6531 -4.5227 -4.5227 -4.4688 -4.4688 -4.2455 -4.2455 -4.1810 -4.1810 -4.1444 -4.1444 -4.0845 -4.0845 1.3368 1.3368 1.9190 1.9190 5.6883 5.6883 6.8067 6.8067 7.2706 7.2706 8.8385 8.8385 9.5078 9.5078 11.2024 11.2024 13.2043 13.2043 13.4342 13.4342 14.9568 14.9568 15.4183 15.4183 k = 0.5000 0.2818 0.6526 ( 4092 PWs) bands (ev): -23.9227 -23.9227 -6.9500 -6.9500 -6.8680 -6.8680 -6.8361 -6.8361 -6.8023 -6.8023 -6.7382 -6.7382 -5.7210 -5.7210 -5.6539 -5.6539 -4.5222 -4.5222 -4.4699 -4.4699 -4.2461 -4.2461 -4.1827 -4.1827 -4.1429 -4.1429 -4.0855 -4.0855 1.3370 1.3370 1.8432 1.8432 5.7375 5.7375 6.8210 6.8210 7.3839 7.3839 8.9037 8.9037 9.5716 9.5716 11.2221 11.2221 13.1838 13.1838 13.4235 13.4235 14.7875 14.7875 15.3789 15.3789 k = 0.5000 0.2818 0.6322 ( 4088 PWs) bands (ev): -23.9229 -23.9229 -6.9501 -6.9501 -6.8689 -6.8689 -6.8346 -6.8346 -6.8019 -6.8019 -6.7374 -6.7374 -5.7199 -5.7199 -5.6546 -5.6546 -4.5217 -4.5217 -4.4709 -4.4709 -4.2469 -4.2469 -4.1845 -4.1845 -4.1414 -4.1414 -4.0864 -4.0864 1.3361 1.3361 1.7688 1.7688 5.7892 5.7892 6.8251 6.8251 7.5122 7.5122 8.9719 8.9719 9.6383 9.6383 11.2454 11.2454 13.1571 13.1571 13.4113 13.4113 14.6139 14.6139 15.2865 15.2865 k = 0.5000 0.2818 0.6118 ( 4090 PWs) bands (ev): -23.9231 -23.9231 -6.9501 -6.9501 -6.8697 -6.8697 -6.8330 -6.8330 -6.8015 -6.8015 -6.7367 -6.7367 -5.7188 -5.7188 -5.6551 -5.6551 -4.5212 -4.5212 -4.4718 -4.4718 -4.2478 -4.2478 -4.1862 -4.1862 -4.1398 -4.1398 -4.0873 -4.0873 1.3339 1.3339 1.6960 1.6960 5.8435 5.8435 6.8261 6.8261 7.6480 7.6480 9.0431 9.0431 9.7077 9.7077 11.2726 11.2726 13.1251 13.1251 13.3968 13.3968 14.4400 14.4400 15.1687 15.1687 k = 0.5000 0.2818 0.5914 ( 4082 PWs) bands (ev): -23.9233 -23.9233 -6.9501 -6.9501 -6.8705 -6.8705 -6.8313 -6.8313 -6.8011 -6.8011 -6.7360 -6.7360 -5.7176 -5.7176 -5.6556 -5.6556 -4.5207 -4.5207 -4.4726 -4.4726 -4.2488 -4.2488 -4.1879 -4.1879 -4.1382 -4.1382 -4.0881 -4.0881 1.3303 1.3303 1.6250 1.6250 5.9002 5.9002 6.8278 6.8278 7.7875 7.7875 9.1170 9.1170 9.7797 9.7797 11.3042 11.3042 13.0889 13.0889 13.3789 13.3789 14.2687 14.2687 15.0350 15.0350 k = 0.5000 0.2818 0.5710 ( 4084 PWs) bands (ev): -23.9235 -23.9235 -6.9500 -6.9500 -6.8713 -6.8713 -6.8296 -6.8296 -6.8008 -6.8008 -6.7354 -6.7354 -5.7165 -5.7165 -5.6560 -5.6560 -4.5202 -4.5202 -4.4734 -4.4734 -4.2499 -4.2499 -4.1896 -4.1896 -4.1366 -4.1366 -4.0889 -4.0889 1.3253 1.3253 1.5559 1.5559 5.9593 5.9593 6.8322 6.8322 7.9282 7.9282 9.1934 9.1934 9.8541 9.8541 11.3407 11.3407 13.0492 13.0492 13.3547 13.3547 14.1041 14.1041 14.8911 14.8911 k = 0.5000 0.2818 0.5506 ( 4088 PWs) bands (ev): -23.9237 -23.9237 -6.9500 -6.9500 -6.8722 -6.8722 -6.8277 -6.8277 -6.8006 -6.8006 -6.7348 -6.7348 -5.7152 -5.7152 -5.6563 -5.6563 -4.5196 -4.5196 -4.4741 -4.4741 -4.2512 -4.2512 -4.1912 -4.1912 -4.1350 -4.1350 -4.0897 -4.0897 1.3188 1.3188 1.4887 1.4887 6.0206 6.0206 6.8406 6.8406 8.0684 8.0684 9.2722 9.2722 9.9307 9.9307 11.3823 11.3823 13.0069 13.0069 13.3196 13.3196 13.9519 13.9519 14.7414 14.7414 k = 0.5000 0.2818 0.5302 ( 4088 PWs) bands (ev): -23.9239 -23.9239 -6.9499 -6.9499 -6.8730 -6.8730 -6.8258 -6.8258 -6.8004 -6.8004 -6.7343 -6.7343 -5.7140 -5.7140 -5.6565 -5.6565 -4.5191 -4.5191 -4.4747 -4.4747 -4.2526 -4.2526 -4.1928 -4.1928 -4.1335 -4.1335 -4.0903 -4.0903 1.3107 1.3107 1.4237 1.4237 6.0842 6.0842 6.8539 6.8539 8.2070 8.2070 9.3530 9.3530 10.0093 10.0093 11.4296 11.4296 12.9623 12.9623 13.2657 13.2657 13.8208 13.8208 14.5895 14.5895 k = 0.5000 0.2818 0.5098 ( 4096 PWs) bands (ev): -23.9241 -23.9241 -6.9498 -6.9498 -6.8739 -6.8739 -6.8238 -6.8238 -6.8002 -6.8002 -6.7339 -6.7339 -5.7126 -5.7126 -5.6567 -5.6567 -4.5185 -4.5185 -4.4752 -4.4752 -4.2541 -4.2541 -4.1944 -4.1944 -4.1319 -4.1319 -4.0909 -4.0909 1.3007 1.3007 1.3612 1.3612 6.1499 6.1499 6.8726 6.8726 8.3429 8.3429 9.4356 9.4356 10.0895 10.0895 11.4828 11.4828 12.9153 12.9153 13.1845 13.1845 13.7203 13.7203 14.4384 14.4384 k = 0.5000 0.2818 0.4894 ( 4088 PWs) bands (ev): -23.9243 -23.9243 -6.9496 -6.9496 -6.8748 -6.8748 -6.8217 -6.8217 -6.8001 -6.8001 -6.7336 -6.7336 -5.7111 -5.7111 -5.6567 -5.6567 -4.5179 -4.5179 -4.4757 -4.4757 -4.2557 -4.2557 -4.1959 -4.1959 -4.1305 -4.1305 -4.0915 -4.0915 1.2854 1.2854 1.3048 1.3048 6.2175 6.2175 6.8970 6.8970 8.4751 8.4751 9.5195 9.5195 10.1711 10.1711 11.5423 11.5423 12.8646 12.8646 13.0744 13.0744 13.6534 13.6534 14.2910 14.2910 k = 0.5000 0.2818 0.4690 ( 4080 PWs) bands (ev): -23.9245 -23.9245 -6.9495 -6.9495 -6.8757 -6.8757 -6.8196 -6.8196 -6.8000 -6.8000 -6.7333 -6.7333 -5.7096 -5.7096 -5.6568 -5.6568 -4.5173 -4.5173 -4.4760 -4.4760 -4.2575 -4.2575 -4.1973 -4.1973 -4.1290 -4.1290 -4.0920 -4.0920 1.2383 1.2383 1.2810 1.2810 6.2871 6.2871 6.9275 6.9275 8.6029 8.6029 9.6043 9.6043 10.2539 10.2539 11.6081 11.6081 12.8053 12.8053 12.9465 12.9465 13.6139 13.6139 14.1505 14.1505 k = 0.5000 0.2818 0.4486 ( 4076 PWs) bands (ev): -23.9247 -23.9247 -6.9493 -6.9493 -6.8766 -6.8766 -6.8174 -6.8174 -6.7999 -6.7999 -6.7332 -6.7332 -5.7079 -5.7079 -5.6568 -5.6568 -4.5167 -4.5167 -4.4762 -4.4762 -4.2592 -4.2592 -4.1986 -4.1986 -4.1277 -4.1277 -4.0924 -4.0924 1.1829 1.1829 1.2665 1.2665 6.3586 6.3586 6.9643 6.9643 8.7255 8.7255 9.6894 9.6894 10.3374 10.3374 11.6802 11.6802 12.7193 12.7193 12.8276 12.8276 13.5924 13.5924 14.0202 14.0202 k = 0.5000 0.2818 0.4283 ( 4076 PWs) bands (ev): -23.9249 -23.9249 -6.9491 -6.9491 -6.8775 -6.8775 -6.8152 -6.8152 -6.7998 -6.7998 -6.7331 -6.7331 -5.7062 -5.7062 -5.6568 -5.6568 -4.5161 -4.5161 -4.4763 -4.4763 -4.2611 -4.2611 -4.1999 -4.1999 -4.1264 -4.1264 -4.0927 -4.0927 1.1291 1.1291 1.2515 1.2515 6.4317 6.4317 7.0073 7.0073 8.8423 8.8423 9.7742 9.7742 10.4213 10.4213 11.7577 11.7577 12.5879 12.5879 12.7425 12.7425 13.5823 13.5823 13.9041 13.9041 k = 0.5000 0.2818 0.4079 ( 4076 PWs) bands (ev): -23.9251 -23.9251 -6.9488 -6.9488 -6.8784 -6.8784 -6.8131 -6.8131 -6.7997 -6.7997 -6.7332 -6.7332 -5.7043 -5.7043 -5.6567 -5.6567 -4.5154 -4.5154 -4.4764 -4.4764 -4.2630 -4.2630 -4.2011 -4.2011 -4.1252 -4.1252 -4.0930 -4.0930 1.0775 1.0775 1.2357 1.2357 6.5066 6.5066 7.0567 7.0567 8.9528 8.9528 9.8579 9.8579 10.5053 10.5053 11.8381 11.8381 12.4369 12.4369 12.6697 12.6697 13.5790 13.5790 13.8062 13.8062 k = 0.5000 0.2818 0.3875 ( 4068 PWs) bands (ev): -23.9253 -23.9253 -6.9486 -6.9486 -6.8793 -6.8793 -6.8110 -6.8110 -6.7995 -6.7995 -6.7333 -6.7333 -5.7024 -5.7024 -5.6566 -5.6566 -4.5148 -4.5148 -4.4763 -4.4763 -4.2650 -4.2650 -4.2022 -4.2022 -4.1240 -4.1240 -4.0931 -4.0931 1.0282 1.0282 1.2190 1.2190 6.5830 6.5830 7.1124 7.1124 9.0564 9.0564 9.9399 9.9399 10.5892 10.5892 11.9133 11.9133 12.2897 12.2897 12.5942 12.5942 13.5796 13.5796 13.7310 13.7310 k = 0.5000 0.2818 0.3671 ( 4072 PWs) bands (ev): -23.9255 -23.9255 -6.9483 -6.9483 -6.8802 -6.8802 -6.8091 -6.8091 -6.7991 -6.7991 -6.7335 -6.7335 -5.7004 -5.7004 -5.6565 -5.6565 -4.5142 -4.5142 -4.4762 -4.4762 -4.2670 -4.2670 -4.2032 -4.2032 -4.1230 -4.1230 -4.0933 -4.0933 0.9813 0.9813 1.2016 1.2016 6.6611 6.6611 7.1741 7.1741 9.1527 9.1527 10.0195 10.0195 10.6727 10.6727 11.9457 11.9457 12.1854 12.1854 12.5135 12.5135 13.5806 13.5806 13.6829 13.6829 k = 0.5000 0.2818 0.3467 ( 4066 PWs) bands (ev): -23.9257 -23.9257 -6.9480 -6.9480 -6.8812 -6.8812 -6.8076 -6.8076 -6.7984 -6.7984 -6.7339 -6.7339 -5.6984 -5.6984 -5.6564 -5.6564 -4.5136 -4.5136 -4.4759 -4.4759 -4.2691 -4.2691 -4.2041 -4.2041 -4.1220 -4.1220 -4.0934 -4.0934 0.9369 0.9369 1.1836 1.1836 6.7406 6.7406 7.2417 7.2417 9.2411 9.2411 10.0961 10.0961 10.7556 10.7556 11.8630 11.8630 12.1892 12.1892 12.4346 12.4346 13.5796 13.5796 13.6646 13.6646 k = 0.5000 0.2818 0.3263 ( 4066 PWs) bands (ev): -23.9259 -23.9259 -6.9477 -6.9477 -6.8821 -6.8821 -6.8065 -6.8065 -6.7972 -6.7972 -6.7343 -6.7343 -5.6963 -5.6963 -5.6563 -5.6563 -4.5130 -4.5130 -4.4756 -4.4756 -4.2712 -4.2712 -4.2050 -4.2050 -4.1211 -4.1211 -4.0934 -4.0934 0.8949 0.8949 1.1654 1.1654 6.8217 6.8217 7.3150 7.3150 9.3210 9.3210 10.1694 10.1694 10.8374 10.8374 11.7202 11.7202 12.2084 12.2084 12.3945 12.3945 13.5803 13.5803 13.6709 13.6709 k = 0.5000 0.2818 0.3059 ( 4070 PWs) bands (ev): -23.9260 -23.9260 -6.9474 -6.9474 -6.8830 -6.8830 -6.8058 -6.8058 -6.7955 -6.7955 -6.7349 -6.7349 -5.6942 -5.6942 -5.6561 -5.6561 -4.5124 -4.5124 -4.4753 -4.4753 -4.2732 -4.2732 -4.2058 -4.2058 -4.1202 -4.1202 -4.0934 -4.0934 0.8553 0.8553 1.1469 1.1469 6.9043 6.9043 7.3935 7.3935 9.3917 9.3917 10.2393 10.2393 10.9178 10.9178 11.5657 11.5657 12.1485 12.1485 12.4383 12.4383 13.5888 13.5888 13.6931 13.6931 k = 0.5000 0.2818 0.2855 ( 4078 PWs) bands (ev): -23.9262 -23.9262 -6.9471 -6.9471 -6.8839 -6.8839 -6.8055 -6.8055 -6.7935 -6.7935 -6.7356 -6.7356 -5.6922 -5.6922 -5.6559 -5.6559 -4.5118 -4.5118 -4.4748 -4.4748 -4.2753 -4.2753 -4.2065 -4.2065 -4.1195 -4.1195 -4.0933 -4.0933 0.8182 0.8182 1.1285 1.1285 6.9882 6.9882 7.4769 7.4769 9.4525 9.4525 10.3060 10.3060 10.9950 10.9950 11.4112 11.4112 12.0521 12.0521 12.5092 12.5092 13.6053 13.6053 13.7030 13.7030 k = 0.5000 0.2818 0.2651 ( 4070 PWs) bands (ev): -23.9264 -23.9264 -6.9468 -6.9468 -6.8848 -6.8848 -6.8055 -6.8055 -6.7912 -6.7912 -6.7363 -6.7363 -5.6901 -5.6901 -5.6556 -5.6556 -4.5112 -4.5112 -4.4744 -4.4744 -4.2773 -4.2773 -4.2072 -4.2072 -4.1188 -4.1188 -4.0932 -4.0932 0.7837 0.7837 1.1104 1.1104 7.0734 7.0734 7.5648 7.5648 9.5023 9.5023 10.3698 10.3698 11.0616 11.0616 11.2665 11.2665 11.9488 11.9488 12.5691 12.5691 13.6274 13.6274 13.6781 13.6781 k = 0.5000 0.2818 0.2447 ( 4070 PWs) bands (ev): -23.9265 -23.9265 -6.9465 -6.9465 -6.8856 -6.8856 -6.8056 -6.8056 -6.7888 -6.7888 -6.7372 -6.7372 -5.6882 -5.6882 -5.6554 -5.6554 -4.5107 -4.5107 -4.4738 -4.4738 -4.2792 -4.2792 -4.2077 -4.2077 -4.1182 -4.1182 -4.0931 -4.0931 0.7517 0.7517 1.0927 1.0927 7.1596 7.1596 7.6568 7.6568 9.5403 9.5403 10.4315 10.4315 11.0497 11.0497 11.1995 11.1995 11.8474 11.8474 12.6024 12.6024 13.6484 13.6484 13.6919 13.6919 k = 0.5000 0.2818 0.2243 ( 4074 PWs) bands (ev): -23.9267 -23.9267 -6.9462 -6.9462 -6.8865 -6.8865 -6.8058 -6.8058 -6.7864 -6.7864 -6.7382 -6.7382 -5.6863 -5.6863 -5.6550 -5.6550 -4.5102 -4.5102 -4.4733 -4.4733 -4.2811 -4.2811 -4.2082 -4.2082 -4.1176 -4.1176 -4.0930 -4.0930 0.7221 0.7221 1.0756 1.0756 7.2465 7.2465 7.7524 7.7524 9.5655 9.5655 10.4918 10.4918 10.9213 10.9213 11.2470 11.2470 11.7535 11.7535 12.6038 12.6038 13.6663 13.6663 13.7527 13.7527 k = 0.5000 0.2818 0.2039 ( 4074 PWs) bands (ev): -23.9268 -23.9268 -6.9459 -6.9459 -6.8873 -6.8873 -6.8060 -6.8060 -6.7838 -6.7838 -6.7393 -6.7393 -5.6846 -5.6846 -5.6547 -5.6547 -4.5097 -4.5097 -4.4727 -4.4727 -4.2829 -4.2829 -4.2087 -4.2087 -4.1171 -4.1171 -4.0928 -4.0928 0.6952 0.6952 1.0593 1.0593 7.3337 7.3337 7.8511 7.8511 9.5774 9.5774 10.5506 10.5506 10.7783 10.7783 11.3036 11.3036 11.6735 11.6735 12.5771 12.5771 13.6855 13.6855 13.8508 13.8508 k = 0.5000 0.2818 0.1835 ( 4070 PWs) bands (ev): -23.9269 -23.9269 -6.9456 -6.9456 -6.8880 -6.8880 -6.8063 -6.8063 -6.7813 -6.7813 -6.7405 -6.7405 -5.6830 -5.6830 -5.6543 -5.6543 -4.5093 -4.5093 -4.4722 -4.4722 -4.2846 -4.2846 -4.2091 -4.2091 -4.1167 -4.1167 -4.0926 -4.0926 0.6707 0.6707 1.0440 1.0440 7.4206 7.4206 7.9524 7.9524 9.5758 9.5758 10.5957 10.5957 10.6498 10.6498 11.3429 11.3429 11.6187 11.6187 12.5310 12.5310 13.7052 13.7052 13.9777 13.9777 k = 0.5000 0.2818 0.1631 ( 4066 PWs) bands (ev): -23.9270 -23.9270 -6.9453 -6.9453 -6.8887 -6.8887 -6.8066 -6.8066 -6.7788 -6.7788 -6.7418 -6.7418 -5.6816 -5.6816 -5.6538 -5.6538 -4.5089 -4.5089 -4.4716 -4.4716 -4.2862 -4.2862 -4.2094 -4.2094 -4.1163 -4.1163 -4.0925 -4.0925 0.6489 0.6489 1.0299 1.0299 7.5064 7.5064 8.0555 8.0555 9.5613 9.5613 10.4880 10.4880 10.6780 10.6780 11.3470 11.3470 11.6041 11.6041 12.4749 12.4749 13.7244 13.7244 14.1247 14.1247 k = 0.5000 0.2818 0.1428 ( 4062 PWs) bands (ev): -23.9271 -23.9271 -6.9450 -6.9450 -6.8893 -6.8893 -6.8068 -6.8068 -6.7763 -6.7763 -6.7431 -6.7431 -5.6804 -5.6804 -5.6533 -5.6533 -4.5086 -4.5086 -4.4711 -4.4711 -4.2877 -4.2877 -4.2097 -4.2097 -4.1160 -4.1160 -4.0923 -4.0923 0.6295 0.6295 1.0170 1.0170 7.5899 7.5899 8.1596 8.1596 9.5350 9.5350 10.3546 10.3546 10.7372 10.7372 11.3187 11.3187 11.6247 11.6247 12.4166 12.4166 13.7427 13.7427 14.2838 14.2838 k = 0.5000 0.2818 0.1224 ( 4062 PWs) bands (ev): -23.9272 -23.9272 -6.9448 -6.9448 -6.8899 -6.8899 -6.8071 -6.8071 -6.7739 -6.7739 -6.7446 -6.7446 -5.6793 -5.6793 -5.6529 -5.6529 -4.5083 -4.5083 -4.4706 -4.4706 -4.2890 -4.2890 -4.2099 -4.2099 -4.1157 -4.1157 -4.0922 -4.0922 0.6128 0.6128 1.0056 1.0056 7.6699 7.6699 8.2637 8.2637 9.4989 9.4989 10.2265 10.2265 10.7975 10.7975 11.2783 11.2783 11.6569 11.6569 12.3625 12.3625 13.7596 13.7596 14.4445 14.4445 k = 0.5000 0.2818 0.1020 ( 4068 PWs) bands (ev): -23.9273 -23.9273 -6.9446 -6.9446 -6.8904 -6.8904 -6.8073 -6.8073 -6.7716 -6.7716 -6.7460 -6.7460 -5.6785 -5.6785 -5.6524 -5.6524 -4.5080 -4.5080 -4.4701 -4.4701 -4.2901 -4.2901 -4.2101 -4.2101 -4.1155 -4.1155 -4.0920 -4.0920 0.5986 0.5986 0.9957 0.9957 7.7444 7.7444 8.3661 8.3661 9.4553 9.4553 10.1066 10.1066 10.8569 10.8569 11.2381 11.2381 11.6849 11.6849 12.3180 12.3180 13.7748 13.7748 14.4307 14.4307 k = 0.5000 0.2818 0.0816 ( 4064 PWs) bands (ev): -23.9273 -23.9273 -6.9445 -6.9445 -6.8908 -6.8908 -6.8075 -6.8075 -6.7694 -6.7694 -6.7475 -6.7475 -5.6778 -5.6778 -5.6520 -5.6520 -4.5078 -4.5078 -4.4697 -4.4697 -4.2910 -4.2910 -4.2103 -4.2103 -4.1153 -4.1153 -4.0919 -4.0919 0.5870 0.5870 0.9875 0.9875 7.8114 7.8114 8.4645 8.4645 9.4075 9.4075 9.9979 9.9979 10.9142 10.9142 11.2023 11.2023 11.7013 11.7013 12.2866 12.2866 13.7878 13.7878 14.3482 14.3482 k = 0.5000 0.2818 0.0612 ( 4062 PWs) bands (ev): -23.9274 -23.9274 -6.9443 -6.9443 -6.8911 -6.8911 -6.8076 -6.8076 -6.7675 -6.7675 -6.7489 -6.7489 -5.6773 -5.6773 -5.6516 -5.6516 -4.5076 -4.5076 -4.4694 -4.4694 -4.2918 -4.2918 -4.2104 -4.2104 -4.1152 -4.1152 -4.0918 -4.0918 0.5780 0.5780 0.9811 0.9811 7.8680 7.8680 8.5551 8.5551 9.3590 9.3590 9.9044 9.9044 10.9673 10.9673 11.1716 11.1716 11.7050 11.7050 12.2689 12.2689 13.7984 13.7984 14.2796 14.2796 k = 0.5000 0.2818 0.0408 ( 4070 PWs) bands (ev): -23.9274 -23.9274 -6.9442 -6.9442 -6.8914 -6.8914 -6.8077 -6.8077 -6.7659 -6.7659 -6.7501 -6.7501 -5.6769 -5.6769 -5.6514 -5.6514 -4.5075 -4.5075 -4.4692 -4.4692 -4.2923 -4.2923 -4.2105 -4.2105 -4.1151 -4.1151 -4.0918 -4.0918 0.5715 0.5715 0.9764 0.9764 7.9115 7.9115 8.6318 8.6318 9.3147 9.3147 9.8313 9.8313 11.0144 11.0144 11.1449 11.1449 11.6998 11.6998 12.2617 12.2617 13.8063 13.8063 14.2284 14.2284 k = 0.5000 0.2818 0.0204 ( 4060 PWs) bands (ev): -23.9274 -23.9274 -6.9442 -6.9442 -6.8915 -6.8915 -6.8078 -6.8078 -6.7647 -6.7647 -6.7510 -6.7510 -5.6767 -5.6767 -5.6512 -5.6512 -4.5074 -4.5074 -4.4690 -4.4690 -4.2927 -4.2927 -4.2105 -4.2105 -4.1150 -4.1150 -4.0917 -4.0917 0.5676 0.5676 0.9736 0.9736 7.9390 7.9390 8.6855 8.6855 9.2820 9.2820 9.7843 9.7843 11.0530 11.0530 11.1208 11.1208 11.6926 11.6926 12.2603 12.2603 13.8111 13.8111 14.1966 14.1966 k = 0.5000 0.2818 0.0000 ( 4060 PWs) bands (ev): -23.9275 -23.9275 -6.9441 -6.9441 -6.8916 -6.8916 -6.8078 -6.8078 -6.7643 -6.7643 -6.7514 -6.7514 -5.6766 -5.6766 -5.6511 -5.6511 -4.5074 -4.5074 -4.4690 -4.4690 -4.2928 -4.2928 -4.2106 -4.2106 -4.1150 -4.1150 -4.0917 -4.0917 0.5663 0.5663 0.9726 0.9726 7.9484 7.9484 8.7052 8.7052 9.2695 9.2695 9.7680 9.7680 11.0747 11.0747 11.1045 11.1045 11.6894 11.6894 12.2603 12.2603 13.8127 13.8127 14.1859 14.1859 k = 0.0000 0.0000 1.0183 ( 4090 PWs) bands (ev): -23.9209 -23.9209 -6.9487 -6.9487 -6.8591 -6.8591 -6.8482 -6.8482 -6.8087 -6.8087 -6.7497 -6.7497 -5.7346 -5.7346 -5.6389 -5.6389 -4.5269 -4.5269 -4.4550 -4.4550 -4.2471 -4.2471 -4.1621 -4.1621 -4.1581 -4.1581 -4.0728 -4.0728 1.2847 1.2847 2.9471 2.9471 5.2793 5.2793 5.4300 5.4300 7.3765 7.3765 8.2876 8.2876 8.9433 8.9433 11.1327 11.1327 12.8716 12.8716 13.5300 13.5300 15.1582 15.1582 16.1533 16.1533 k = 0.0167 0.0094 1.0183 ( 4084 PWs) bands (ev): -23.9209 -23.9209 -6.9487 -6.9487 -6.8591 -6.8591 -6.8482 -6.8482 -6.8087 -6.8087 -6.7497 -6.7497 -5.7346 -5.7346 -5.6389 -5.6389 -4.5269 -4.5269 -4.4548 -4.4548 -4.2472 -4.2472 -4.1621 -4.1621 -4.1582 -4.1582 -4.0728 -4.0728 1.2848 1.2848 2.9468 2.9468 5.2796 5.2796 5.4296 5.4296 7.3777 7.3777 8.2893 8.2893 8.9417 8.9417 11.1221 11.1221 12.8864 12.8864 13.5334 13.5334 15.1510 15.1510 16.1521 16.1521 k = 0.0333 0.0188 1.0183 ( 4084 PWs) bands (ev): -23.9209 -23.9209 -6.9487 -6.9487 -6.8590 -6.8590 -6.8483 -6.8483 -6.8087 -6.8087 -6.7497 -6.7497 -5.7346 -5.7346 -5.6389 -5.6389 -4.5272 -4.5272 -4.4544 -4.4544 -4.2472 -4.2472 -4.1621 -4.1621 -4.1584 -4.1584 -4.0726 -4.0726 1.2850 1.2850 2.9461 2.9461 5.2808 5.2808 5.4283 5.4283 7.3812 7.3812 8.2946 8.2946 8.9369 8.9369 11.0915 11.0915 12.9298 12.9298 13.5437 13.5437 15.1299 15.1299 16.1483 16.1483 k = 0.0500 0.0282 1.0183 ( 4076 PWs) bands (ev): -23.9209 -23.9209 -6.9488 -6.9488 -6.8588 -6.8588 -6.8484 -6.8484 -6.8087 -6.8087 -6.7497 -6.7497 -5.7346 -5.7346 -5.6389 -5.6389 -4.5276 -4.5276 -4.4538 -4.4538 -4.2473 -4.2473 -4.1621 -4.1621 -4.1588 -4.1588 -4.0724 -4.0724 1.2853 1.2853 2.9450 2.9450 5.2826 5.2826 5.4262 5.4262 7.3870 7.3870 8.3034 8.3034 8.9289 8.9289 11.0444 11.0444 12.9982 12.9982 13.5608 13.5608 15.0959 15.0959 16.1416 16.1416 k = 0.0667 0.0376 1.0183 ( 4068 PWs) bands (ev): -23.9209 -23.9209 -6.9489 -6.9489 -6.8586 -6.8586 -6.8485 -6.8485 -6.8088 -6.8088 -6.7497 -6.7497 -5.7345 -5.7345 -5.6389 -5.6389 -4.5282 -4.5282 -4.4529 -4.4529 -4.2474 -4.2474 -4.1622 -4.1622 -4.1592 -4.1592 -4.0721 -4.0721 1.2857 1.2857 2.9435 2.9435 5.2852 5.2852 5.4233 5.4233 7.3948 7.3948 8.3156 8.3156 8.9178 8.9178 10.9849 10.9849 13.0873 13.0873 13.5845 13.5845 15.0504 15.0504 16.1316 16.1316 k = 0.0833 0.0470 1.0183 ( 4068 PWs) bands (ev): -23.9209 -23.9209 -6.9489 -6.9489 -6.8584 -6.8584 -6.8487 -6.8487 -6.8088 -6.8088 -6.7496 -6.7496 -5.7345 -5.7345 -5.6389 -5.6389 -4.5288 -4.5288 -4.4519 -4.4519 -4.2475 -4.2475 -4.1624 -4.1624 -4.1597 -4.1597 -4.0717 -4.0717 1.2861 1.2861 2.9416 2.9416 5.2885 5.2885 5.4196 5.4196 7.4043 7.4043 8.3309 8.3309 8.9038 8.9038 10.9177 10.9177 13.1925 13.1925 13.6147 13.6147 14.9952 14.9952 16.1172 16.1172 k = 0.1000 0.0564 1.0183 ( 4064 PWs) bands (ev): -23.9209 -23.9209 -6.9490 -6.9490 -6.8580 -6.8580 -6.8490 -6.8490 -6.8088 -6.8088 -6.7496 -6.7496 -5.7344 -5.7344 -5.6390 -5.6390 -4.5295 -4.5295 -4.4508 -4.4508 -4.2476 -4.2476 -4.1626 -4.1626 -4.1602 -4.1602 -4.0713 -4.0713 1.2867 1.2867 2.9395 2.9395 5.2925 5.2925 5.4151 5.4151 7.4151 7.4151 8.3494 8.3494 8.8872 8.8872 10.8466 10.8466 13.3093 13.3093 13.6514 13.6514 14.9321 14.9321 16.0972 16.0972 k = 0.1167 0.0658 1.0183 ( 4072 PWs) bands (ev): -23.9209 -23.9209 -6.9491 -6.9491 -6.8577 -6.8577 -6.8492 -6.8492 -6.8089 -6.8089 -6.7495 -6.7495 -5.7344 -5.7344 -5.6390 -5.6390 -4.5302 -4.5302 -4.4496 -4.4496 -4.2478 -4.2478 -4.1630 -4.1630 -4.1605 -4.1605 -4.0708 -4.0708 1.2873 1.2873 2.9373 2.9373 5.2971 5.2971 5.4100 5.4100 7.4268 7.4268 8.3705 8.3705 8.8680 8.8680 10.7750 10.7750 13.4337 13.4337 13.6945 13.6945 14.8630 14.8630 16.0696 16.0696 k = 0.1333 0.0752 1.0183 ( 4080 PWs) bands (ev): -23.9209 -23.9209 -6.9492 -6.9492 -6.8573 -6.8573 -6.8495 -6.8495 -6.8089 -6.8089 -6.7495 -6.7495 -5.7343 -5.7343 -5.6390 -5.6390 -4.5310 -4.5310 -4.4484 -4.4484 -4.2479 -4.2479 -4.1635 -4.1635 -4.1608 -4.1608 -4.0704 -4.0704 1.2879 1.2879 2.9350 2.9350 5.3023 5.3023 5.4043 5.4043 7.4389 7.4389 8.3942 8.3942 8.8466 8.8466 10.7058 10.7058 13.5614 13.5614 13.7445 13.7445 14.7895 14.7895 16.0323 16.0323 k = 0.1500 0.0845 1.0183 ( 4074 PWs) bands (ev): -23.9209 -23.9209 -6.9493 -6.9493 -6.8569 -6.8569 -6.8499 -6.8499 -6.8090 -6.8090 -6.7494 -6.7494 -5.7343 -5.7343 -5.6391 -5.6391 -4.5317 -4.5317 -4.4472 -4.4472 -4.2481 -4.2481 -4.1641 -4.1641 -4.1610 -4.1610 -4.0700 -4.0700 1.2884 1.2884 2.9328 2.9328 5.3081 5.3081 5.3981 5.3981 7.4509 7.4509 8.4199 8.4199 8.8233 8.8233 10.6413 10.6413 13.6864 13.6864 13.8034 13.8034 14.7133 14.7133 15.9833 15.9833 k = 0.1667 0.0939 1.0183 ( 4072 PWs) bands (ev): -23.9209 -23.9209 -6.9494 -6.9494 -6.8565 -6.8565 -6.8502 -6.8502 -6.8090 -6.8090 -6.7494 -6.7494 -5.7342 -5.7342 -5.6391 -5.6391 -4.5323 -4.5323 -4.4461 -4.4461 -4.2482 -4.2482 -4.1646 -4.1646 -4.1611 -4.1611 -4.0696 -4.0696 1.2890 1.2890 2.9307 2.9307 5.3143 5.3143 5.3914 5.3914 7.4622 7.4622 8.4472 8.4472 8.7984 8.7984 10.5833 10.5833 13.7965 13.7965 13.8786 13.8786 14.6359 14.6359 15.9221 15.9221 k = 0.1833 0.1033 1.0183 ( 4084 PWs) bands (ev): -23.9209 -23.9209 -6.9495 -6.9495 -6.8561 -6.8561 -6.8506 -6.8506 -6.8091 -6.8091 -6.7494 -6.7494 -5.7342 -5.7342 -5.6391 -5.6391 -4.5329 -4.5329 -4.4452 -4.4452 -4.2483 -4.2483 -4.1652 -4.1652 -4.1612 -4.1612 -4.0693 -4.0693 1.2895 1.2895 2.9288 2.9288 5.3208 5.3208 5.3844 5.3844 7.4723 7.4723 8.4753 8.4753 8.7727 8.7727 10.5336 10.5336 13.8808 13.8808 13.9752 13.9752 14.5595 14.5595 15.8516 15.8516 k = 0.2000 0.1127 1.0183 ( 4076 PWs) bands (ev): -23.9209 -23.9209 -6.9495 -6.9495 -6.8557 -6.8557 -6.8509 -6.8509 -6.8091 -6.8091 -6.7493 -6.7493 -5.7341 -5.7341 -5.6392 -5.6392 -4.5333 -4.5333 -4.4444 -4.4444 -4.2484 -4.2484 -4.1656 -4.1656 -4.1613 -4.1613 -4.0690 -4.0690 1.2899 1.2899 2.9273 2.9273 5.3276 5.3276 5.3773 5.3773 7.4807 7.4807 8.5030 8.5030 8.7470 8.7470 10.4935 10.4935 13.9517 13.9517 14.0720 14.0720 14.4871 14.4871 15.7783 15.7783 k = 0.2167 0.1221 1.0183 ( 4076 PWs) bands (ev): -23.9209 -23.9209 -6.9496 -6.9496 -6.8553 -6.8553 -6.8512 -6.8512 -6.8091 -6.8091 -6.7493 -6.7493 -5.7341 -5.7341 -5.6392 -5.6392 -4.5337 -4.5337 -4.4438 -4.4438 -4.2485 -4.2485 -4.1660 -4.1660 -4.1613 -4.1613 -4.0688 -4.0688 1.2902 1.2902 2.9262 2.9262 5.3344 5.3344 5.3703 5.3703 7.4871 7.4871 8.5285 8.5285 8.7230 8.7230 10.4640 10.4640 14.0185 14.0185 14.1459 14.1459 14.4253 14.4253 15.7125 15.7125 k = 0.2333 0.1315 1.0183 ( 4068 PWs) bands (ev): -23.9209 -23.9209 -6.9496 -6.9496 -6.8551 -6.8551 -6.8514 -6.8514 -6.8091 -6.8091 -6.7493 -6.7493 -5.7341 -5.7341 -5.6392 -5.6392 -4.5339 -4.5339 -4.4435 -4.4435 -4.2486 -4.2486 -4.1662 -4.1662 -4.1613 -4.1613 -4.0687 -4.0687 1.2903 1.2903 2.9254 2.9254 5.3404 5.3404 5.3641 5.3641 7.4911 7.4911 8.5482 8.5482 8.7044 8.7044 10.4460 10.4460 14.0794 14.0794 14.1768 14.1768 14.3864 14.3864 15.6661 15.6661 k = 0.2500 0.1409 1.0183 ( 4068 PWs) bands (ev): -23.9209 -23.9209 -6.9496 -6.9496 -6.8550 -6.8550 -6.8515 -6.8515 -6.8091 -6.8091 -6.7493 -6.7493 -5.7341 -5.7341 -5.6392 -5.6392 -4.5339 -4.5339 -4.4434 -4.4434 -4.2486 -4.2486 -4.1662 -4.1662 -4.1613 -4.1613 -4.0686 -4.0686 1.2904 1.2904 2.9252 2.9252 5.3433 5.3433 5.3612 5.3612 7.4924 7.4924 8.5560 8.5560 8.6969 8.6969 10.4400 10.4400 14.1136 14.1136 14.1720 14.1720 14.3758 14.3758 15.6492 15.6492 Writing output data file SrxAlPbx2.save init_run : 0.33s CPU 0.53s WALL ( 1 calls) electrons : 223.84s CPU 226.80s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 223.83s CPU 226.79s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.08s CPU 0.11s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.07s CPU 0.07s WALL ( 325 calls) cegterg : 199.62s CPU 201.96s WALL ( 430 calls) Called by sum_band: Called by *egterg: h_psi : 139.58s CPU 141.25s WALL ( 7160 calls) s_psi : 6.57s CPU 6.63s WALL ( 7160 calls) g_psi : 0.20s CPU 0.23s WALL ( 6405 calls) cdiaghg : 55.60s CPU 56.30s WALL ( 6730 calls) cegterg:over : 5.94s CPU 5.89s WALL ( 6405 calls) cegterg:upda : 4.82s CPU 4.92s WALL ( 6405 calls) cegterg:last : 2.22s CPU 2.39s WALL ( 1086 calls) cdiaghg:chol : 3.19s CPU 3.21s WALL ( 6730 calls) cdiaghg:inve : 2.10s CPU 2.19s WALL ( 6730 calls) cdiaghg:para : 3.60s CPU 3.59s WALL ( 13460 calls) Called by h_psi: h_psi:vloc : 124.86s CPU 126.37s WALL ( 7160 calls) h_psi:vnl : 14.50s CPU 14.65s WALL ( 7160 calls) add_vuspsi : 7.72s CPU 7.75s WALL ( 7160 calls) General routines calbec : 6.74s CPU 6.88s WALL ( 7160 calls) fft : 0.01s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 117.47s CPU 119.37s WALL ( 784336 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.19s CPU 0.32s WALL ( 650 calls) Parallel routines fft_scatter : 37.14s CPU 38.57s WALL ( 784359 calls) PWSCF : 4m 0.95s CPU 4m18.04s WALL This run was terminated on: 18:38:43 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=