Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18: 1:56 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: ./FeF3.save/ file F.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized file Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D 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 60 37 10 1801 889 136 Max 61 38 11 1804 915 139 Sum 2165 1355 395 64913 32521 4971 bravais-lattice index = 14 lattice parameter (alat) = 10.0907 a.u. unit-cell volume = 680.1362 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 2 number of electrons = 58.00 number of Kohn-Sham states= 70 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 317.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.090672 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.541295 celldm(5)= 0.541295 celldm(6)= 0.541295 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.541295 0.840833 0.000000 ) a(3) = ( 0.541295 0.295296 0.787274 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.643760 -0.446090 ) b(2) = ( 0.000000 1.189297 -0.446090 ) b(3) = ( 0.000000 0.000000 1.270206 ) PseudoPot. # 1 for F read from file: /users/gautes/Pseudo/F.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: ce20c52fa94def3fe434d52ed9f7ea44 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1105 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Fe read from file: /users/gautes/Pseudo/Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1f786298b0c3f78d6037ec413201e537 Pseudo is Ultrasoft + core correction, Zval = 8.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1191 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 F 7.00 18.99840 F( 1.00) Fe 8.00 55.84500 Fe( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 275 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036364 k( 2) = ( 0.0131579 -0.0084705 -0.0058696), wk = 0.0036364 k( 3) = ( 0.0263158 -0.0169410 -0.0117392), wk = 0.0036364 k( 4) = ( 0.0394737 -0.0254116 -0.0176088), wk = 0.0036364 k( 5) = ( 0.0526316 -0.0338821 -0.0234784), wk = 0.0036364 k( 6) = ( 0.0657895 -0.0423526 -0.0293480), wk = 0.0036364 k( 7) = ( 0.0789474 -0.0508231 -0.0352176), wk = 0.0036364 k( 8) = ( 0.0921053 -0.0592937 -0.0410872), wk = 0.0036364 k( 9) = ( 0.1052632 -0.0677642 -0.0469568), wk = 0.0036364 k( 10) = ( 0.1184210 -0.0762347 -0.0528264), wk = 0.0036364 k( 11) = ( 0.1315790 -0.0847052 -0.0586960), wk = 0.0036364 k( 12) = ( 0.1447368 -0.0931758 -0.0645656), wk = 0.0036364 k( 13) = ( 0.1578947 -0.1016463 -0.0704352), wk = 0.0036364 k( 14) = ( 0.1710526 -0.1101168 -0.0763048), wk = 0.0036364 k( 15) = ( 0.1842105 -0.1185873 -0.0821744), wk = 0.0036364 k( 16) = ( 0.1973684 -0.1270579 -0.0880440), wk = 0.0036364 k( 17) = ( 0.2105263 -0.1355284 -0.0939136), wk = 0.0036364 k( 18) = ( 0.2236842 -0.1439989 -0.0997832), wk = 0.0036364 k( 19) = ( 0.2368421 -0.1524694 -0.1056528), wk = 0.0036364 k( 20) = ( 0.2500000 -0.1609400 -0.1115224), wk = 0.0036364 k( 21) = ( 0.2631579 -0.1694105 -0.1173920), wk = 0.0036364 k( 22) = ( 0.2763158 -0.1778810 -0.1232616), wk = 0.0036364 k( 23) = ( 0.2894737 -0.1863515 -0.1291312), wk = 0.0036364 k( 24) = ( 0.3026316 -0.1948221 -0.1350008), wk = 0.0036364 k( 25) = ( 0.3157895 -0.2032926 -0.1408704), wk = 0.0036364 k( 26) = ( 0.3289474 -0.2117631 -0.1467400), wk = 0.0036364 k( 27) = ( 0.3421053 -0.2202336 -0.1526096), wk = 0.0036364 k( 28) = ( 0.3552632 -0.2287042 -0.1584792), wk = 0.0036364 k( 29) = ( 0.3684211 -0.2371747 -0.1643488), wk = 0.0036364 k( 30) = ( 0.3815789 -0.2456452 -0.1702184), wk = 0.0036364 k( 31) = ( 0.3947368 -0.2541157 -0.1760880), wk = 0.0036364 k( 32) = ( 0.4078947 -0.2625863 -0.1819576), wk = 0.0036364 k( 33) = ( 0.4210526 -0.2710568 -0.1878272), wk = 0.0036364 k( 34) = ( 0.4342105 -0.2795273 -0.1936968), wk = 0.0036364 k( 35) = ( 0.4473684 -0.2879978 -0.1995664), wk = 0.0036364 k( 36) = ( 0.4605263 -0.2964684 -0.2054360), wk = 0.0036364 k( 37) = ( 0.4736842 -0.3049389 -0.2113056), wk = 0.0036364 k( 38) = ( 0.4868421 -0.3134094 -0.2171752), wk = 0.0036364 k( 39) = ( 0.5000000 -0.3218799 -0.2230448), wk = 0.0036364 k( 40) = ( 0.5000000 -0.3218799 -0.2230448), wk = 0.0036364 k( 41) = ( 0.5000000 -0.3123621 -0.2367801), wk = 0.0036364 k( 42) = ( 0.5000000 -0.3028444 -0.2505153), wk = 0.0036364 k( 43) = ( 0.5000000 -0.2933266 -0.2642506), wk = 0.0036364 k( 44) = ( 0.5000000 -0.2838088 -0.2779859), wk = 0.0036364 k( 45) = ( 0.5000000 -0.2742911 -0.2917211), wk = 0.0036364 k( 46) = ( 0.5000000 -0.2647733 -0.3054564), wk = 0.0036364 k( 47) = ( 0.5000000 -0.2552555 -0.3191917), wk = 0.0036364 k( 48) = ( 0.5000000 -0.2457377 -0.3329270), wk = 0.0036364 k( 49) = ( 0.5000000 -0.2362200 -0.3466622), wk = 0.0036364 k( 50) = ( 0.5000000 -0.2267022 -0.3603975), wk = 0.0036364 k( 51) = ( 0.5000000 -0.2171844 -0.3741328), wk = 0.0036364 k( 52) = ( 0.5000000 -0.2076666 -0.3878680), wk = 0.0036364 k( 53) = ( 0.5000000 -0.1981489 -0.4016033), wk = 0.0036364 k( 54) = ( 0.5000000 -0.1886311 -0.4153386), wk = 0.0036364 k( 55) = ( 0.5000000 -0.1791133 -0.4290738), wk = 0.0036364 k( 56) = ( 0.5000000 -0.1695955 -0.4428091), wk = 0.0036364 k( 57) = ( 0.5000000 -0.1600778 -0.4565444), wk = 0.0036364 k( 58) = ( 0.5000000 -0.1505600 -0.4702796), wk = 0.0036364 k( 59) = ( 0.5000000 -0.1410422 -0.4840149), wk = 0.0036364 k( 60) = ( 0.5000000 -0.1315244 -0.4977502), wk = 0.0036364 k( 61) = ( 0.5000000 -0.1220067 -0.5114855), wk = 0.0036364 k( 62) = ( 0.5000000 -0.1124889 -0.5252207), wk = 0.0036364 k( 63) = ( 0.5000000 -0.1029711 -0.5389560), wk = 0.0036364 k( 64) = ( 0.5000000 -0.0934534 -0.5526913), wk = 0.0036364 k( 65) = ( 0.5000000 -0.0839356 -0.5664265), wk = 0.0036364 k( 66) = ( 0.5000000 -0.0744178 -0.5801618), wk = 0.0036364 k( 67) = ( 0.5000000 -0.0649000 -0.5938971), wk = 0.0036364 k( 68) = ( 0.5000000 -0.0553823 -0.6076323), wk = 0.0036364 k( 69) = ( 0.5000000 -0.0458645 -0.6213676), wk = 0.0036364 k( 70) = ( 0.5000000 -0.0363467 -0.6351029), wk = 0.0036364 k( 71) = ( 0.7599142 0.1054461 -0.2570763), wk = 0.0036364 k( 72) = ( 0.7517919 0.1106749 -0.2431360), wk = 0.0036364 k( 73) = ( 0.7436696 0.1159037 -0.2291957), wk = 0.0036364 k( 74) = ( 0.7355473 0.1211326 -0.2152554), wk = 0.0036364 k( 75) = ( 0.7274250 0.1263614 -0.2013151), wk = 0.0036364 k( 76) = ( 0.7193026 0.1315902 -0.1873748), wk = 0.0036364 k( 77) = ( 0.7111803 0.1368190 -0.1734345), wk = 0.0036364 k( 78) = ( 0.7030580 0.1420479 -0.1594942), wk = 0.0036364 k( 79) = ( 0.6949357 0.1472767 -0.1455539), wk = 0.0036364 k( 80) = ( 0.6868134 0.1525055 -0.1316136), wk = 0.0036364 k( 81) = ( 0.6786910 0.1577343 -0.1176733), wk = 0.0036364 k( 82) = ( 0.6705687 0.1629632 -0.1037330), wk = 0.0036364 k( 83) = ( 0.6624464 0.1681920 -0.0897927), wk = 0.0036364 k( 84) = ( 0.6543241 0.1734208 -0.0758524), wk = 0.0036364 k( 85) = ( 0.6462018 0.1786496 -0.0619121), wk = 0.0036364 k( 86) = ( 0.6380794 0.1838784 -0.0479718), wk = 0.0036364 k( 87) = ( 0.6299571 0.1891073 -0.0340315), wk = 0.0036364 k( 88) = ( 0.6218348 0.1943361 -0.0200912), wk = 0.0036364 k( 89) = ( 0.6137125 0.1995649 -0.0061509), wk = 0.0036364 k( 90) = ( 0.6055902 0.2047937 0.0077894), wk = 0.0036364 k( 91) = ( 0.5974678 0.2100226 0.0217297), wk = 0.0036364 k( 92) = ( 0.5893455 0.2152514 0.0356700), wk = 0.0036364 k( 93) = ( 0.5812232 0.2204802 0.0496103), wk = 0.0036364 k( 94) = ( 0.5731009 0.2257090 0.0635506), wk = 0.0036364 k( 95) = ( 0.5649786 0.2309379 0.0774909), wk = 0.0036364 k( 96) = ( 0.5568562 0.2361667 0.0914312), wk = 0.0036364 k( 97) = ( 0.5487339 0.2413955 0.1053715), wk = 0.0036364 k( 98) = ( 0.5406116 0.2466243 0.1193118), wk = 0.0036364 k( 99) = ( 0.5324893 0.2518532 0.1332521), wk = 0.0036364 k( 100) = ( 0.5243670 0.2570820 0.1471924), wk = 0.0036364 k( 101) = ( 0.5162446 0.2623108 0.1611327), wk = 0.0036364 k( 102) = ( 0.5081223 0.2675396 0.1750730), wk = 0.0036364 k( 103) = ( 0.5000000 0.2727684 0.1890133), wk = 0.0036364 k( 104) = ( 0.5000000 0.2727684 0.1890133), wk = 0.0036364 k( 105) = ( 0.4861111 0.2651915 0.1837629), wk = 0.0036364 k( 106) = ( 0.4722222 0.2576146 0.1785125), wk = 0.0036364 k( 107) = ( 0.4583333 0.2500377 0.1732622), wk = 0.0036364 k( 108) = ( 0.4444444 0.2424608 0.1680118), wk = 0.0036364 k( 109) = ( 0.4305556 0.2348839 0.1627614), wk = 0.0036364 k( 110) = ( 0.4166667 0.2273070 0.1575111), wk = 0.0036364 k( 111) = ( 0.4027778 0.2197301 0.1522607), wk = 0.0036364 k( 112) = ( 0.3888889 0.2121532 0.1470103), wk = 0.0036364 k( 113) = ( 0.3750000 0.2045763 0.1417600), wk = 0.0036364 k( 114) = ( 0.3611111 0.1969994 0.1365096), wk = 0.0036364 k( 115) = ( 0.3472222 0.1894225 0.1312592), wk = 0.0036364 k( 116) = ( 0.3333333 0.1818456 0.1260089), wk = 0.0036364 k( 117) = ( 0.3194444 0.1742687 0.1207585), wk = 0.0036364 k( 118) = ( 0.3055556 0.1666918 0.1155081), wk = 0.0036364 k( 119) = ( 0.2916667 0.1591149 0.1102578), wk = 0.0036364 k( 120) = ( 0.2777778 0.1515380 0.1050074), wk = 0.0036364 k( 121) = ( 0.2638889 0.1439611 0.0997570), wk = 0.0036364 k( 122) = ( 0.2500000 0.1363842 0.0945066), wk = 0.0036364 k( 123) = ( 0.2361111 0.1288073 0.0892563), wk = 0.0036364 k( 124) = ( 0.2222222 0.1212304 0.0840059), wk = 0.0036364 k( 125) = ( 0.2083333 0.1136535 0.0787555), wk = 0.0036364 k( 126) = ( 0.1944444 0.1060766 0.0735052), wk = 0.0036364 k( 127) = ( 0.1805556 0.0984997 0.0682548), wk = 0.0036364 k( 128) = ( 0.1666667 0.0909228 0.0630044), wk = 0.0036364 k( 129) = ( 0.1527778 0.0833459 0.0577541), wk = 0.0036364 k( 130) = ( 0.1388889 0.0757690 0.0525037), wk = 0.0036364 k( 131) = ( 0.1250000 0.0681921 0.0472533), wk = 0.0036364 k( 132) = ( 0.1111111 0.0606152 0.0420030), wk = 0.0036364 k( 133) = ( 0.0972222 0.0530383 0.0367526), wk = 0.0036364 k( 134) = ( 0.0833333 0.0454614 0.0315022), wk = 0.0036364 k( 135) = ( 0.0694444 0.0378845 0.0262518), wk = 0.0036364 k( 136) = ( 0.0555556 0.0303076 0.0210015), wk = 0.0036364 k( 137) = ( 0.0416667 0.0227307 0.0157511), wk = 0.0036364 k( 138) = ( 0.0277778 0.0151538 0.0105007), wk = 0.0036364 k( 139) = ( 0.0138889 0.0075769 0.0052504), wk = 0.0036364 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036364 k( 141) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036364 k( 142) = ( 0.0080444 -0.0051787 -0.0138066), wk = 0.0036364 k( 143) = ( 0.0160888 -0.0103573 -0.0276132), wk = 0.0036364 k( 144) = ( 0.0241332 -0.0155360 -0.0414198), wk = 0.0036364 k( 145) = ( 0.0321776 -0.0207147 -0.0552263), wk = 0.0036364 k( 146) = ( 0.0402221 -0.0258933 -0.0690329), wk = 0.0036364 k( 147) = ( 0.0482665 -0.0310720 -0.0828395), wk = 0.0036364 k( 148) = ( 0.0563109 -0.0362507 -0.0966461), wk = 0.0036364 k( 149) = ( 0.0643553 -0.0414293 -0.1104527), wk = 0.0036364 k( 150) = ( 0.0723997 -0.0466080 -0.1242593), wk = 0.0036364 k( 151) = ( 0.0804441 -0.0517867 -0.1380658), wk = 0.0036364 k( 152) = ( 0.0884885 -0.0569654 -0.1518724), wk = 0.0036364 k( 153) = ( 0.0965329 -0.0621440 -0.1656790), wk = 0.0036364 k( 154) = ( 0.1045773 -0.0673227 -0.1794856), wk = 0.0036364 k( 155) = ( 0.1126218 -0.0725014 -0.1932922), wk = 0.0036364 k( 156) = ( 0.1206662 -0.0776800 -0.2070988), wk = 0.0036364 k( 157) = ( 0.1287106 -0.0828587 -0.2209054), wk = 0.0036364 k( 158) = ( 0.1367550 -0.0880374 -0.2347119), wk = 0.0036364 k( 159) = ( 0.1447994 -0.0932160 -0.2485185), wk = 0.0036364 k( 160) = ( 0.1528438 -0.0983947 -0.2623251), wk = 0.0036364 k( 161) = ( 0.1608882 -0.1035734 -0.2761317), wk = 0.0036364 k( 162) = ( 0.1689326 -0.1087520 -0.2899383), wk = 0.0036364 k( 163) = ( 0.1769770 -0.1139307 -0.3037449), wk = 0.0036364 k( 164) = ( 0.1850214 -0.1191094 -0.3175514), wk = 0.0036364 k( 165) = ( 0.1930659 -0.1242880 -0.3313580), wk = 0.0036364 k( 166) = ( 0.2011103 -0.1294667 -0.3451646), wk = 0.0036364 k( 167) = ( 0.2091547 -0.1346454 -0.3589712), wk = 0.0036364 k( 168) = ( 0.2171991 -0.1398240 -0.3727778), wk = 0.0036364 k( 169) = ( 0.2252435 -0.1450027 -0.3865844), wk = 0.0036364 k( 170) = ( 0.2332879 -0.1501814 -0.4003909), wk = 0.0036364 k( 171) = ( 0.2413323 -0.1553601 -0.4141975), wk = 0.0036364 k( 172) = ( 0.2493767 -0.1605387 -0.4280041), wk = 0.0036364 k( 173) = ( 0.2574211 -0.1657174 -0.4418107), wk = 0.0036364 k( 174) = ( 0.2654655 -0.1708961 -0.4556173), wk = 0.0036364 k( 175) = ( 0.2735100 -0.1760747 -0.4694239), wk = 0.0036364 k( 176) = ( 0.2815544 -0.1812534 -0.4832305), wk = 0.0036364 k( 177) = ( 0.2895988 -0.1864321 -0.4970370), wk = 0.0036364 k( 178) = ( 0.2976432 -0.1916107 -0.5108436), wk = 0.0036364 k( 179) = ( 0.3056876 -0.1967894 -0.5246502), wk = 0.0036364 k( 180) = ( 0.3137320 -0.2019681 -0.5384568), wk = 0.0036364 k( 181) = ( 0.3217764 -0.2071467 -0.5522634), wk = 0.0036364 k( 182) = ( 0.3298208 -0.2123254 -0.5660700), wk = 0.0036364 k( 183) = ( 0.3378652 -0.2175041 -0.5798765), wk = 0.0036364 k( 184) = ( 0.3459097 -0.2226827 -0.5936831), wk = 0.0036364 k( 185) = ( 0.3539541 -0.2278614 -0.6074897), wk = 0.0036364 k( 186) = ( 0.3619985 -0.2330401 -0.6212963), wk = 0.0036364 k( 187) = ( 0.3700429 -0.2382187 -0.6351029), wk = 0.0036364 k( 188) = ( 0.6299571 0.0345497 -0.4460896), wk = 0.0036364 k( 189) = ( 0.6218348 0.0494384 -0.4460896), wk = 0.0036364 k( 190) = ( 0.6137125 0.0643270 -0.4460896), wk = 0.0036364 k( 191) = ( 0.6055902 0.0792157 -0.4460896), wk = 0.0036364 k( 192) = ( 0.5974678 0.0941044 -0.4460896), wk = 0.0036364 k( 193) = ( 0.5893455 0.1089931 -0.4460896), wk = 0.0036364 k( 194) = ( 0.5812232 0.1238817 -0.4460896), wk = 0.0036364 k( 195) = ( 0.5731009 0.1387704 -0.4460896), wk = 0.0036364 k( 196) = ( 0.5649786 0.1536591 -0.4460896), wk = 0.0036364 k( 197) = ( 0.5568562 0.1685477 -0.4460896), wk = 0.0036364 k( 198) = ( 0.5487339 0.1834364 -0.4460896), wk = 0.0036364 k( 199) = ( 0.5406116 0.1983251 -0.4460896), wk = 0.0036364 k( 200) = ( 0.5324893 0.2132138 -0.4460896), wk = 0.0036364 k( 201) = ( 0.5243670 0.2281024 -0.4460896), wk = 0.0036364 k( 202) = ( 0.5162446 0.2429911 -0.4460896), wk = 0.0036364 k( 203) = ( 0.5081223 0.2578798 -0.4460896), wk = 0.0036364 k( 204) = ( 0.5000000 0.2727684 -0.4460896), wk = 0.0036364 k( 205) = ( 0.5000000 0.2727684 -0.4460896), wk = 0.0036364 k( 206) = ( 0.5086638 0.2774949 -0.4334887), wk = 0.0036364 k( 207) = ( 0.5173276 0.2822213 -0.4208878), wk = 0.0036364 k( 208) = ( 0.5259914 0.2869477 -0.4082869), wk = 0.0036364 k( 209) = ( 0.5346552 0.2916742 -0.3956860), wk = 0.0036364 k( 210) = ( 0.5433190 0.2964006 -0.3830852), wk = 0.0036364 k( 211) = ( 0.5519829 0.3011270 -0.3704843), wk = 0.0036364 k( 212) = ( 0.5606467 0.3058534 -0.3578834), wk = 0.0036364 k( 213) = ( 0.5693105 0.3105799 -0.3452825), wk = 0.0036364 k( 214) = ( 0.5779743 0.3153063 -0.3326816), wk = 0.0036364 k( 215) = ( 0.5866381 0.3200327 -0.3200807), wk = 0.0036364 k( 216) = ( 0.5953019 0.3247591 -0.3074799), wk = 0.0036364 k( 217) = ( 0.6039657 0.3294856 -0.2948790), wk = 0.0036364 k( 218) = ( 0.6126295 0.3342120 -0.2822781), wk = 0.0036364 k( 219) = ( 0.6212933 0.3389384 -0.2696772), wk = 0.0036364 k( 220) = ( 0.6299571 0.3436649 -0.2570763), wk = 0.0036364 k( 221) = ( 0.6299571 0.3436649 -0.2570763), wk = 0.0036364 k( 222) = ( 0.6253158 0.3411328 -0.2411445), wk = 0.0036364 k( 223) = ( 0.6206745 0.3386008 -0.2252128), wk = 0.0036364 k( 224) = ( 0.6160331 0.3360688 -0.2092810), wk = 0.0036364 k( 225) = ( 0.6113918 0.3335368 -0.1933492), wk = 0.0036364 k( 226) = ( 0.6067505 0.3310048 -0.1774175), wk = 0.0036364 k( 227) = ( 0.6021092 0.3284728 -0.1614857), wk = 0.0036364 k( 228) = ( 0.5974678 0.3259407 -0.1455539), wk = 0.0036364 k( 229) = ( 0.5928265 0.3234087 -0.1296221), wk = 0.0036364 k( 230) = ( 0.5881852 0.3208767 -0.1136904), wk = 0.0036364 k( 231) = ( 0.5835439 0.3183447 -0.0977586), wk = 0.0036364 k( 232) = ( 0.5789025 0.3158127 -0.0818268), wk = 0.0036364 k( 233) = ( 0.5742612 0.3132807 -0.0658951), wk = 0.0036364 k( 234) = ( 0.5696199 0.3107487 -0.0499633), wk = 0.0036364 k( 235) = ( 0.5649786 0.3082166 -0.0340315), wk = 0.0036364 k( 236) = ( 0.5603372 0.3056846 -0.0180997), wk = 0.0036364 k( 237) = ( 0.5556959 0.3031526 -0.0021680), wk = 0.0036364 k( 238) = ( 0.5510546 0.3006206 0.0137638), wk = 0.0036364 k( 239) = ( 0.5464133 0.2980886 0.0296956), wk = 0.0036364 k( 240) = ( 0.5417719 0.2955566 0.0456273), wk = 0.0036364 k( 241) = ( 0.5371306 0.2930246 0.0615591), wk = 0.0036364 k( 242) = ( 0.5324893 0.2904925 0.0774909), wk = 0.0036364 k( 243) = ( 0.5278479 0.2879605 0.0934227), wk = 0.0036364 k( 244) = ( 0.5232066 0.2854285 0.1093544), wk = 0.0036364 k( 245) = ( 0.5185653 0.2828965 0.1252862), wk = 0.0036364 k( 246) = ( 0.5139240 0.2803645 0.1412180), wk = 0.0036364 k( 247) = ( 0.5092826 0.2778325 0.1571497), wk = 0.0036364 k( 248) = ( 0.5046413 0.2753005 0.1730815), wk = 0.0036364 k( 249) = ( 0.5000000 0.2727684 0.1890133), wk = 0.0036364 k( 250) = ( 0.5000000 -0.3218799 -0.2230448), wk = 0.0036364 k( 251) = ( 0.5103966 -0.3109692 -0.2154843), wk = 0.0036364 k( 252) = ( 0.5207931 -0.3000585 -0.2079237), wk = 0.0036364 k( 253) = ( 0.5311897 -0.2891477 -0.2003632), wk = 0.0036364 k( 254) = ( 0.5415863 -0.2782370 -0.1928027), wk = 0.0036364 k( 255) = ( 0.5519829 -0.2673262 -0.1852421), wk = 0.0036364 k( 256) = ( 0.5623794 -0.2564155 -0.1776816), wk = 0.0036364 k( 257) = ( 0.5727760 -0.2455048 -0.1701211), wk = 0.0036364 k( 258) = ( 0.5831726 -0.2345940 -0.1625605), wk = 0.0036364 k( 259) = ( 0.5935691 -0.2236833 -0.1550000), wk = 0.0036364 k( 260) = ( 0.6039657 -0.2127725 -0.1474395), wk = 0.0036364 k( 261) = ( 0.6143623 -0.2018618 -0.1398789), wk = 0.0036364 k( 262) = ( 0.6247588 -0.1909511 -0.1323184), wk = 0.0036364 k( 263) = ( 0.6351554 -0.1800403 -0.1247579), wk = 0.0036364 k( 264) = ( 0.6455520 -0.1691296 -0.1171974), wk = 0.0036364 k( 265) = ( 0.6559485 -0.1582189 -0.1096368), wk = 0.0036364 k( 266) = ( 0.6663451 -0.1473081 -0.1020763), wk = 0.0036364 k( 267) = ( 0.6767417 -0.1363974 -0.0945158), wk = 0.0036364 k( 268) = ( 0.6871382 -0.1254866 -0.0869552), wk = 0.0036364 k( 269) = ( 0.6975348 -0.1145759 -0.0793947), wk = 0.0036364 k( 270) = ( 0.7079314 -0.1036652 -0.0718342), wk = 0.0036364 k( 271) = ( 0.7183280 -0.0927544 -0.0642736), wk = 0.0036364 k( 272) = ( 0.7287245 -0.0818437 -0.0567131), wk = 0.0036364 k( 273) = ( 0.7391211 -0.0709330 -0.0491526), wk = 0.0036364 k( 274) = ( 0.7495177 -0.0600222 -0.0415920), wk = 0.0036364 k( 275) = ( 0.7599142 -0.0491115 -0.0340315), wk = 0.0036364 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036364 k( 2) = ( 0.0131579 -0.0000000 0.0000000), wk = 0.0036364 k( 3) = ( 0.0263158 -0.0000000 0.0000000), wk = 0.0036364 k( 4) = ( 0.0394737 -0.0000000 0.0000000), wk = 0.0036364 k( 5) = ( 0.0526316 -0.0000000 0.0000000), wk = 0.0036364 k( 6) = ( 0.0657895 -0.0000000 0.0000000), wk = 0.0036364 k( 7) = ( 0.0789474 0.0000000 0.0000000), wk = 0.0036364 k( 8) = ( 0.0921053 -0.0000000 0.0000000), wk = 0.0036364 k( 9) = ( 0.1052632 -0.0000000 0.0000000), wk = 0.0036364 k( 10) = ( 0.1184210 -0.0000000 0.0000000), wk = 0.0036364 k( 11) = ( 0.1315790 0.0000000 -0.0000000), wk = 0.0036364 k( 12) = ( 0.1447368 0.0000000 0.0000000), wk = 0.0036364 k( 13) = ( 0.1578947 0.0000000 0.0000000), wk = 0.0036364 k( 14) = ( 0.1710526 0.0000000 0.0000000), wk = 0.0036364 k( 15) = ( 0.1842105 -0.0000000 0.0000000), wk = 0.0036364 k( 16) = ( 0.1973684 -0.0000000 -0.0000000), wk = 0.0036364 k( 17) = ( 0.2105263 -0.0000000 0.0000000), wk = 0.0036364 k( 18) = ( 0.2236842 0.0000000 0.0000000), wk = 0.0036364 k( 19) = ( 0.2368421 0.0000000 0.0000000), wk = 0.0036364 k( 20) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0036364 k( 21) = ( 0.2631579 -0.0000000 0.0000000), wk = 0.0036364 k( 22) = ( 0.2763158 0.0000000 -0.0000000), wk = 0.0036364 k( 23) = ( 0.2894737 0.0000000 0.0000000), wk = 0.0036364 k( 24) = ( 0.3026316 0.0000000 0.0000000), wk = 0.0036364 k( 25) = ( 0.3157895 -0.0000000 0.0000000), wk = 0.0036364 k( 26) = ( 0.3289474 0.0000000 0.0000000), wk = 0.0036364 k( 27) = ( 0.3421053 0.0000000 0.0000000), wk = 0.0036364 k( 28) = ( 0.3552632 -0.0000000 0.0000000), wk = 0.0036364 k( 29) = ( 0.3684211 -0.0000000 0.0000000), wk = 0.0036364 k( 30) = ( 0.3815789 0.0000000 0.0000000), wk = 0.0036364 k( 31) = ( 0.3947368 -0.0000000 -0.0000000), wk = 0.0036364 k( 32) = ( 0.4078947 -0.0000000 0.0000000), wk = 0.0036364 k( 33) = ( 0.4210526 -0.0000000 0.0000000), wk = 0.0036364 k( 34) = ( 0.4342105 0.0000000 0.0000000), wk = 0.0036364 k( 35) = ( 0.4473684 0.0000000 0.0000000), wk = 0.0036364 k( 36) = ( 0.4605263 0.0000000 0.0000000), wk = 0.0036364 k( 37) = ( 0.4736842 -0.0000000 -0.0000000), wk = 0.0036364 k( 38) = ( 0.4868421 -0.0000000 0.0000000), wk = 0.0036364 k( 39) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0036364 k( 40) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0036364 k( 41) = ( 0.5000000 0.0080029 -0.0080029), wk = 0.0036364 k( 42) = ( 0.5000000 0.0160057 -0.0160057), wk = 0.0036364 k( 43) = ( 0.5000000 0.0240086 -0.0240086), wk = 0.0036364 k( 44) = ( 0.5000000 0.0320114 -0.0320114), wk = 0.0036364 k( 45) = ( 0.5000000 0.0400143 -0.0400143), wk = 0.0036364 k( 46) = ( 0.5000000 0.0480171 -0.0480171), wk = 0.0036364 k( 47) = ( 0.5000000 0.0560200 -0.0560200), wk = 0.0036364 k( 48) = ( 0.5000000 0.0640229 -0.0640229), wk = 0.0036364 k( 49) = ( 0.5000000 0.0720257 -0.0720257), wk = 0.0036364 k( 50) = ( 0.5000000 0.0800286 -0.0800286), wk = 0.0036364 k( 51) = ( 0.5000000 0.0880314 -0.0880314), wk = 0.0036364 k( 52) = ( 0.5000000 0.0960343 -0.0960343), wk = 0.0036364 k( 53) = ( 0.5000000 0.1040372 -0.1040372), wk = 0.0036364 k( 54) = ( 0.5000000 0.1120400 -0.1120400), wk = 0.0036364 k( 55) = ( 0.5000000 0.1200429 -0.1200429), wk = 0.0036364 k( 56) = ( 0.5000000 0.1280457 -0.1280457), wk = 0.0036364 k( 57) = ( 0.5000000 0.1360486 -0.1360486), wk = 0.0036364 k( 58) = ( 0.5000000 0.1440515 -0.1440515), wk = 0.0036364 k( 59) = ( 0.5000000 0.1520543 -0.1520543), wk = 0.0036364 k( 60) = ( 0.5000000 0.1600572 -0.1600572), wk = 0.0036364 k( 61) = ( 0.5000000 0.1680600 -0.1680600), wk = 0.0036364 k( 62) = ( 0.5000000 0.1760629 -0.1760629), wk = 0.0036364 k( 63) = ( 0.5000000 0.1840658 -0.1840657), wk = 0.0036364 k( 64) = ( 0.5000000 0.1920686 -0.1920686), wk = 0.0036364 k( 65) = ( 0.5000000 0.2000715 -0.2000715), wk = 0.0036364 k( 66) = ( 0.5000000 0.2080743 -0.2080743), wk = 0.0036364 k( 67) = ( 0.5000000 0.2160772 -0.2160772), wk = 0.0036364 k( 68) = ( 0.5000000 0.2240801 -0.2240800), wk = 0.0036364 k( 69) = ( 0.5000000 0.2320829 -0.2320829), wk = 0.0036364 k( 70) = ( 0.5000000 0.2400858 -0.2400858), wk = 0.0036364 k( 71) = ( 0.7599142 0.5000000 0.2400858), wk = 0.0036364 k( 72) = ( 0.7517919 0.5000000 0.2482081), wk = 0.0036364 k( 73) = ( 0.7436696 0.5000000 0.2563304), wk = 0.0036364 k( 74) = ( 0.7355473 0.5000000 0.2644527), wk = 0.0036364 k( 75) = ( 0.7274250 0.5000000 0.2725750), wk = 0.0036364 k( 76) = ( 0.7193026 0.5000000 0.2806974), wk = 0.0036364 k( 77) = ( 0.7111803 0.5000000 0.2888197), wk = 0.0036364 k( 78) = ( 0.7030580 0.5000000 0.2969420), wk = 0.0036364 k( 79) = ( 0.6949357 0.5000000 0.3050643), wk = 0.0036364 k( 80) = ( 0.6868134 0.5000000 0.3131866), wk = 0.0036364 k( 81) = ( 0.6786910 0.5000000 0.3213090), wk = 0.0036364 k( 82) = ( 0.6705687 0.5000000 0.3294313), wk = 0.0036364 k( 83) = ( 0.6624464 0.5000000 0.3375536), wk = 0.0036364 k( 84) = ( 0.6543241 0.5000000 0.3456759), wk = 0.0036364 k( 85) = ( 0.6462018 0.5000000 0.3537982), wk = 0.0036364 k( 86) = ( 0.6380794 0.5000000 0.3619206), wk = 0.0036364 k( 87) = ( 0.6299571 0.5000000 0.3700429), wk = 0.0036364 k( 88) = ( 0.6218348 0.5000000 0.3781652), wk = 0.0036364 k( 89) = ( 0.6137125 0.5000000 0.3862875), wk = 0.0036364 k( 90) = ( 0.6055902 0.5000000 0.3944098), wk = 0.0036364 k( 91) = ( 0.5974678 0.5000000 0.4025322), wk = 0.0036364 k( 92) = ( 0.5893455 0.5000000 0.4106545), wk = 0.0036364 k( 93) = ( 0.5812232 0.5000000 0.4187768), wk = 0.0036364 k( 94) = ( 0.5731009 0.5000000 0.4268991), wk = 0.0036364 k( 95) = ( 0.5649786 0.5000000 0.4350214), wk = 0.0036364 k( 96) = ( 0.5568562 0.5000000 0.4431438), wk = 0.0036364 k( 97) = ( 0.5487339 0.5000000 0.4512661), wk = 0.0036364 k( 98) = ( 0.5406116 0.5000000 0.4593884), wk = 0.0036364 k( 99) = ( 0.5324893 0.5000000 0.4675107), wk = 0.0036364 k( 100) = ( 0.5243670 0.5000000 0.4756330), wk = 0.0036364 k( 101) = ( 0.5162446 0.5000000 0.4837554), wk = 0.0036364 k( 102) = ( 0.5081223 0.5000000 0.4918777), wk = 0.0036364 k( 103) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036364 k( 104) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036364 k( 105) = ( 0.4861111 0.4861111 0.4861111), wk = 0.0036364 k( 106) = ( 0.4722222 0.4722222 0.4722222), wk = 0.0036364 k( 107) = ( 0.4583333 0.4583333 0.4583333), wk = 0.0036364 k( 108) = ( 0.4444444 0.4444444 0.4444444), wk = 0.0036364 k( 109) = ( 0.4305556 0.4305556 0.4305556), wk = 0.0036364 k( 110) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0036364 k( 111) = ( 0.4027778 0.4027778 0.4027778), wk = 0.0036364 k( 112) = ( 0.3888889 0.3888889 0.3888889), wk = 0.0036364 k( 113) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0036364 k( 114) = ( 0.3611111 0.3611111 0.3611111), wk = 0.0036364 k( 115) = ( 0.3472222 0.3472222 0.3472222), wk = 0.0036364 k( 116) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0036364 k( 117) = ( 0.3194444 0.3194444 0.3194444), wk = 0.0036364 k( 118) = ( 0.3055556 0.3055556 0.3055556), wk = 0.0036364 k( 119) = ( 0.2916667 0.2916667 0.2916667), wk = 0.0036364 k( 120) = ( 0.2777778 0.2777778 0.2777778), wk = 0.0036364 k( 121) = ( 0.2638889 0.2638889 0.2638889), wk = 0.0036364 k( 122) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036364 k( 123) = ( 0.2361111 0.2361111 0.2361111), wk = 0.0036364 k( 124) = ( 0.2222222 0.2222222 0.2222222), wk = 0.0036364 k( 125) = ( 0.2083333 0.2083333 0.2083333), wk = 0.0036364 k( 126) = ( 0.1944444 0.1944444 0.1944444), wk = 0.0036364 k( 127) = ( 0.1805556 0.1805556 0.1805556), wk = 0.0036364 k( 128) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0036364 k( 129) = ( 0.1527778 0.1527778 0.1527778), wk = 0.0036364 k( 130) = ( 0.1388889 0.1388889 0.1388889), wk = 0.0036364 k( 131) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0036364 k( 132) = ( 0.1111111 0.1111111 0.1111111), wk = 0.0036364 k( 133) = ( 0.0972222 0.0972222 0.0972222), wk = 0.0036364 k( 134) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0036364 k( 135) = ( 0.0694444 0.0694444 0.0694444), wk = 0.0036364 k( 136) = ( 0.0555556 0.0555556 0.0555556), wk = 0.0036364 k( 137) = ( 0.0416667 0.0416667 0.0416667), wk = 0.0036364 k( 138) = ( 0.0277778 0.0277778 0.0277778), wk = 0.0036364 k( 139) = ( 0.0138889 0.0138889 0.0138889), wk = 0.0036364 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036364 k( 141) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036364 k( 142) = ( 0.0080444 -0.0000000 -0.0080444), wk = 0.0036364 k( 143) = ( 0.0160888 -0.0000000 -0.0160888), wk = 0.0036364 k( 144) = ( 0.0241332 -0.0000000 -0.0241332), wk = 0.0036364 k( 145) = ( 0.0321776 -0.0000000 -0.0321776), wk = 0.0036364 k( 146) = ( 0.0402221 0.0000000 -0.0402220), wk = 0.0036364 k( 147) = ( 0.0482665 -0.0000000 -0.0482665), wk = 0.0036364 k( 148) = ( 0.0563109 -0.0000000 -0.0563109), wk = 0.0036364 k( 149) = ( 0.0643553 -0.0000000 -0.0643553), wk = 0.0036364 k( 150) = ( 0.0723997 0.0000000 -0.0723997), wk = 0.0036364 k( 151) = ( 0.0804441 0.0000000 -0.0804441), wk = 0.0036364 k( 152) = ( 0.0884885 0.0000000 -0.0884885), wk = 0.0036364 k( 153) = ( 0.0965329 0.0000000 -0.0965329), wk = 0.0036364 k( 154) = ( 0.1045773 -0.0000000 -0.1045773), wk = 0.0036364 k( 155) = ( 0.1126218 -0.0000000 -0.1126217), wk = 0.0036364 k( 156) = ( 0.1206662 -0.0000000 -0.1206662), wk = 0.0036364 k( 157) = ( 0.1287106 -0.0000000 -0.1287106), wk = 0.0036364 k( 158) = ( 0.1367550 -0.0000000 -0.1367550), wk = 0.0036364 k( 159) = ( 0.1447994 -0.0000000 -0.1447994), wk = 0.0036364 k( 160) = ( 0.1528438 -0.0000000 -0.1528438), wk = 0.0036364 k( 161) = ( 0.1608882 0.0000000 -0.1608882), wk = 0.0036364 k( 162) = ( 0.1689326 0.0000000 -0.1689326), wk = 0.0036364 k( 163) = ( 0.1769770 0.0000000 -0.1769770), wk = 0.0036364 k( 164) = ( 0.1850214 0.0000000 -0.1850214), wk = 0.0036364 k( 165) = ( 0.1930659 -0.0000000 -0.1930658), wk = 0.0036364 k( 166) = ( 0.2011103 -0.0000000 -0.2011103), wk = 0.0036364 k( 167) = ( 0.2091547 0.0000000 -0.2091547), wk = 0.0036364 k( 168) = ( 0.2171991 -0.0000000 -0.2171991), wk = 0.0036364 k( 169) = ( 0.2252435 0.0000000 -0.2252435), wk = 0.0036364 k( 170) = ( 0.2332879 0.0000000 -0.2332879), wk = 0.0036364 k( 171) = ( 0.2413323 0.0000000 -0.2413323), wk = 0.0036364 k( 172) = ( 0.2493767 -0.0000000 -0.2493767), wk = 0.0036364 k( 173) = ( 0.2574211 -0.0000000 -0.2574211), wk = 0.0036364 k( 174) = ( 0.2654655 -0.0000000 -0.2654655), wk = 0.0036364 k( 175) = ( 0.2735100 -0.0000000 -0.2735100), wk = 0.0036364 k( 176) = ( 0.2815544 -0.0000000 -0.2815544), wk = 0.0036364 k( 177) = ( 0.2895988 -0.0000000 -0.2895988), wk = 0.0036364 k( 178) = ( 0.2976432 0.0000000 -0.2976432), wk = 0.0036364 k( 179) = ( 0.3056876 -0.0000000 -0.3056876), wk = 0.0036364 k( 180) = ( 0.3137320 0.0000000 -0.3137320), wk = 0.0036364 k( 181) = ( 0.3217764 0.0000000 -0.3217764), wk = 0.0036364 k( 182) = ( 0.3298208 0.0000000 -0.3298208), wk = 0.0036364 k( 183) = ( 0.3378652 0.0000000 -0.3378652), wk = 0.0036364 k( 184) = ( 0.3459097 0.0000000 -0.3459097), wk = 0.0036364 k( 185) = ( 0.3539541 0.0000000 -0.3539541), wk = 0.0036364 k( 186) = ( 0.3619985 0.0000000 -0.3619985), wk = 0.0036364 k( 187) = ( 0.3700429 0.0000000 -0.3700429), wk = 0.0036364 k( 188) = ( 0.6299571 0.3700429 0.0000000), wk = 0.0036364 k( 189) = ( 0.6218348 0.3781652 -0.0000000), wk = 0.0036364 k( 190) = ( 0.6137125 0.3862875 -0.0000000), wk = 0.0036364 k( 191) = ( 0.6055902 0.3944098 -0.0000000), wk = 0.0036364 k( 192) = ( 0.5974678 0.4025322 -0.0000000), wk = 0.0036364 k( 193) = ( 0.5893455 0.4106545 -0.0000000), wk = 0.0036364 k( 194) = ( 0.5812232 0.4187768 -0.0000000), wk = 0.0036364 k( 195) = ( 0.5731009 0.4268991 -0.0000000), wk = 0.0036364 k( 196) = ( 0.5649786 0.4350214 -0.0000000), wk = 0.0036364 k( 197) = ( 0.5568562 0.4431438 -0.0000000), wk = 0.0036364 k( 198) = ( 0.5487339 0.4512661 -0.0000000), wk = 0.0036364 k( 199) = ( 0.5406116 0.4593884 0.0000000), wk = 0.0036364 k( 200) = ( 0.5324893 0.4675107 0.0000000), wk = 0.0036364 k( 201) = ( 0.5243670 0.4756330 -0.0000000), wk = 0.0036364 k( 202) = ( 0.5162446 0.4837554 -0.0000000), wk = 0.0036364 k( 203) = ( 0.5081223 0.4918777 -0.0000000), wk = 0.0036364 k( 204) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0036364 k( 205) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0036364 k( 206) = ( 0.5086638 0.5086638 0.0160057), wk = 0.0036364 k( 207) = ( 0.5173276 0.5173276 0.0320114), wk = 0.0036364 k( 208) = ( 0.5259914 0.5259914 0.0480171), wk = 0.0036364 k( 209) = ( 0.5346552 0.5346552 0.0640229), wk = 0.0036364 k( 210) = ( 0.5433190 0.5433190 0.0800286), wk = 0.0036364 k( 211) = ( 0.5519829 0.5519829 0.0960343), wk = 0.0036364 k( 212) = ( 0.5606467 0.5606467 0.1120400), wk = 0.0036364 k( 213) = ( 0.5693105 0.5693105 0.1280457), wk = 0.0036364 k( 214) = ( 0.5779743 0.5779743 0.1440515), wk = 0.0036364 k( 215) = ( 0.5866381 0.5866381 0.1600572), wk = 0.0036364 k( 216) = ( 0.5953019 0.5953019 0.1760629), wk = 0.0036364 k( 217) = ( 0.6039657 0.6039657 0.1920686), wk = 0.0036364 k( 218) = ( 0.6126295 0.6126295 0.2080743), wk = 0.0036364 k( 219) = ( 0.6212933 0.6212933 0.2240801), wk = 0.0036364 k( 220) = ( 0.6299571 0.6299571 0.2400858), wk = 0.0036364 k( 221) = ( 0.6299571 0.6299571 0.2400858), wk = 0.0036364 k( 222) = ( 0.6253158 0.6253158 0.2493684), wk = 0.0036364 k( 223) = ( 0.6206745 0.6206745 0.2586511), wk = 0.0036364 k( 224) = ( 0.6160331 0.6160331 0.2679337), wk = 0.0036364 k( 225) = ( 0.6113918 0.6113918 0.2772164), wk = 0.0036364 k( 226) = ( 0.6067505 0.6067505 0.2864990), wk = 0.0036364 k( 227) = ( 0.6021092 0.6021092 0.2957817), wk = 0.0036364 k( 228) = ( 0.5974678 0.5974678 0.3050643), wk = 0.0036364 k( 229) = ( 0.5928265 0.5928265 0.3143470), wk = 0.0036364 k( 230) = ( 0.5881852 0.5881852 0.3236296), wk = 0.0036364 k( 231) = ( 0.5835439 0.5835439 0.3329123), wk = 0.0036364 k( 232) = ( 0.5789025 0.5789025 0.3421949), wk = 0.0036364 k( 233) = ( 0.5742612 0.5742612 0.3514776), wk = 0.0036364 k( 234) = ( 0.5696199 0.5696199 0.3607602), wk = 0.0036364 k( 235) = ( 0.5649786 0.5649786 0.3700429), wk = 0.0036364 k( 236) = ( 0.5603372 0.5603372 0.3793255), wk = 0.0036364 k( 237) = ( 0.5556959 0.5556959 0.3886082), wk = 0.0036364 k( 238) = ( 0.5510546 0.5510546 0.3978908), wk = 0.0036364 k( 239) = ( 0.5464133 0.5464133 0.4071735), wk = 0.0036364 k( 240) = ( 0.5417719 0.5417719 0.4164561), wk = 0.0036364 k( 241) = ( 0.5371306 0.5371306 0.4257388), wk = 0.0036364 k( 242) = ( 0.5324893 0.5324893 0.4350214), wk = 0.0036364 k( 243) = ( 0.5278479 0.5278479 0.4443041), wk = 0.0036364 k( 244) = ( 0.5232066 0.5232066 0.4535867), wk = 0.0036364 k( 245) = ( 0.5185653 0.5185653 0.4628694), wk = 0.0036364 k( 246) = ( 0.5139240 0.5139240 0.4721520), wk = 0.0036364 k( 247) = ( 0.5092826 0.5092826 0.4814347), wk = 0.0036364 k( 248) = ( 0.5046413 0.5046413 0.4907173), wk = 0.0036364 k( 249) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036364 k( 250) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0036364 k( 251) = ( 0.5103966 0.0148017 0.0148017), wk = 0.0036364 k( 252) = ( 0.5207931 0.0296034 0.0296034), wk = 0.0036364 k( 253) = ( 0.5311897 0.0444051 0.0444052), wk = 0.0036364 k( 254) = ( 0.5415863 0.0592069 0.0592069), wk = 0.0036364 k( 255) = ( 0.5519829 0.0740086 0.0740086), wk = 0.0036364 k( 256) = ( 0.5623794 0.0888103 0.0888103), wk = 0.0036364 k( 257) = ( 0.5727760 0.1036120 0.1036120), wk = 0.0036364 k( 258) = ( 0.5831726 0.1184137 0.1184137), wk = 0.0036364 k( 259) = ( 0.5935691 0.1332154 0.1332154), wk = 0.0036364 k( 260) = ( 0.6039657 0.1480171 0.1480171), wk = 0.0036364 k( 261) = ( 0.6143623 0.1628189 0.1628189), wk = 0.0036364 k( 262) = ( 0.6247588 0.1776206 0.1776206), wk = 0.0036364 k( 263) = ( 0.6351554 0.1924223 0.1924223), wk = 0.0036364 k( 264) = ( 0.6455520 0.2072240 0.2072240), wk = 0.0036364 k( 265) = ( 0.6559485 0.2220257 0.2220257), wk = 0.0036364 k( 266) = ( 0.6663451 0.2368274 0.2368274), wk = 0.0036364 k( 267) = ( 0.6767417 0.2516292 0.2516292), wk = 0.0036364 k( 268) = ( 0.6871382 0.2664309 0.2664309), wk = 0.0036364 k( 269) = ( 0.6975348 0.2812326 0.2812326), wk = 0.0036364 k( 270) = ( 0.7079314 0.2960343 0.2960343), wk = 0.0036364 k( 271) = ( 0.7183280 0.3108360 0.3108360), wk = 0.0036364 k( 272) = ( 0.7287245 0.3256377 0.3256377), wk = 0.0036364 k( 273) = ( 0.7391211 0.3404394 0.3404394), wk = 0.0036364 k( 274) = ( 0.7495177 0.3552412 0.3552412), wk = 0.0036364 k( 275) = ( 0.7599142 0.3700429 0.3700429), wk = 0.0036364 Dense grid: 64913 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 32521 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.25 Mb ( 236, 70) NL pseudopotentials 0.27 Mb ( 118, 152) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1804) G-vector shells 0.01 Mb ( 1492) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.01 Mb ( 236, 280) Each subspace H/S matrix 0.07 Mb ( 70, 70) Each matrix 0.32 Mb ( 152, 2, 70) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./FeF3.save/charge-density.dat Starting wfc are 84 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.3 secs Computing kpt #: 2 total cpu time spent up to now is 2.9 secs Computing kpt #: 3 total cpu time spent up to now is 3.5 secs Computing kpt #: 4 total cpu time spent up to now is 4.1 secs Computing kpt #: 5 total cpu time spent up to now is 4.6 secs Computing kpt #: 6 total cpu time spent up to now is 5.0 secs Computing kpt #: 7 total cpu time spent up to now is 5.5 secs Computing kpt #: 8 total cpu time spent up to now is 6.0 secs Computing kpt #: 9 total cpu time spent up to now is 6.5 secs Computing kpt #: 10 total cpu time spent up to now is 6.9 secs Computing kpt #: 11 total cpu time spent up to now is 7.4 secs Computing kpt #: 12 total cpu time spent up to now is 7.9 secs Computing kpt #: 13 total cpu time spent up to now is 8.4 secs Computing kpt #: 14 total cpu time spent up to now is 8.9 secs Computing kpt #: 15 total cpu time spent up to now is 9.3 secs Computing kpt #: 16 total cpu time spent up to now is 9.8 secs Computing kpt #: 17 total cpu time spent up to now is 10.3 secs Computing kpt #: 18 total cpu time spent up to now is 10.8 secs Computing kpt #: 19 total cpu time spent up to now is 11.3 secs Computing kpt #: 20 total cpu time spent up to now is 11.8 secs Computing kpt #: 21 total cpu time spent up to now is 12.3 secs Computing kpt #: 22 total cpu time spent up to now is 12.8 secs Computing kpt #: 23 total cpu time spent up to now is 13.3 secs Computing kpt #: 24 total cpu time spent up to now is 13.8 secs Computing kpt #: 25 total cpu time spent up to now is 14.3 secs Computing kpt #: 26 total cpu time spent up to now is 14.8 secs Computing kpt #: 27 total cpu time spent up to now is 15.4 secs Computing kpt #: 28 total cpu time spent up to now is 15.9 secs Computing kpt #: 29 total cpu time spent up to now is 16.4 secs Computing kpt #: 30 total cpu time spent up to now is 16.9 secs Computing kpt #: 31 total cpu time spent up to now is 17.4 secs Computing kpt #: 32 total cpu time spent up to now is 17.9 secs Computing kpt #: 33 total cpu time spent up to now is 18.5 secs Computing kpt #: 34 total cpu time spent up to now is 19.0 secs Computing kpt #: 35 total cpu time spent up to now is 19.5 secs Computing kpt #: 36 total cpu time spent up to now is 20.1 secs Computing kpt #: 37 total cpu time spent up to now is 20.6 secs Computing kpt #: 38 total cpu time spent up to now is 21.2 secs Computing kpt #: 39 total cpu time spent up to now is 21.7 secs Computing kpt #: 40 total cpu time spent up to now is 22.2 secs Computing kpt #: 41 total cpu time spent up to now is 22.8 secs Computing kpt #: 42 total cpu time spent up to now is 23.3 secs Computing kpt #: 43 total cpu time spent up to now is 23.8 secs Computing kpt #: 44 total cpu time spent up to now is 24.3 secs Computing kpt #: 45 total cpu time spent up to now is 24.8 secs Computing kpt #: 46 total cpu time spent up to now is 25.4 secs Computing kpt #: 47 total cpu time spent up to now is 25.9 secs Computing kpt #: 48 total cpu time spent up to now is 26.4 secs Computing kpt #: 49 total cpu time spent up to now is 26.9 secs Computing kpt #: 50 total cpu time spent up to now is 27.6 secs Computing kpt #: 51 total cpu time spent up to now is 28.6 secs Computing kpt #: 52 total cpu time spent up to now is 29.4 secs Computing kpt #: 53 total cpu time spent up to now is 30.1 secs Computing kpt #: 54 total cpu time spent up to now is 31.0 secs Computing kpt #: 55 total cpu time spent up to now is 31.7 secs Computing kpt #: 56 total cpu time spent up to now is 32.7 secs Computing kpt #: 57 total cpu time spent up to now is 33.6 secs Computing kpt #: 58 total cpu time spent up to now is 34.6 secs Computing kpt #: 59 total cpu time spent up to now is 35.3 secs Computing kpt #: 60 total cpu time spent up to now is 36.0 secs Computing kpt #: 61 total cpu time spent up to now is 37.0 secs Computing kpt #: 62 total cpu time spent up to now is 37.7 secs Computing kpt #: 63 total cpu time spent up to now is 38.9 secs Computing kpt #: 64 total cpu time spent up to now is 39.9 secs Computing kpt #: 65 total cpu time spent up to now is 40.6 secs Computing kpt #: 66 total cpu time spent up to now is 41.3 secs Computing kpt #: 67 total cpu time spent up to now is 41.9 secs Computing kpt #: 68 total cpu time spent up to now is 42.6 secs Computing kpt #: 69 total cpu time spent up to now is 43.5 secs Computing kpt #: 70 total cpu time spent up to now is 44.2 secs Computing kpt #: 71 total cpu time spent up to now is 44.8 secs Computing kpt #: 72 total cpu time spent up to now is 45.5 secs Computing kpt #: 73 total cpu time spent up to now is 46.0 secs Computing kpt #: 74 total cpu time spent up to now is 46.6 secs Computing kpt #: 75 total cpu time spent up to now is 47.1 secs Computing kpt #: 76 total cpu time spent up to now is 47.7 secs Computing kpt #: 77 total cpu time spent up to now is 48.2 secs Computing kpt #: 78 total cpu time spent up to now is 48.8 secs Computing kpt #: 79 total cpu time spent up to now is 49.3 secs Computing kpt #: 80 total cpu time spent up to now is 49.8 secs Computing kpt #: 81 total cpu time spent up to now is 50.4 secs Computing kpt #: 82 total cpu time spent up to now is 50.9 secs Computing kpt #: 83 total cpu time spent up to now is 51.4 secs Computing kpt #: 84 total cpu time spent up to now is 52.0 secs Computing kpt #: 85 total cpu time spent up to now is 52.5 secs Computing kpt #: 86 total cpu time spent up to now is 53.0 secs Computing kpt #: 87 total cpu time spent up to now is 53.6 secs Computing kpt #: 88 total cpu time spent up to now is 54.1 secs Computing kpt #: 89 total cpu time spent up to now is 54.6 secs Computing kpt #: 90 total cpu time spent up to now is 55.1 secs Computing kpt #: 91 total cpu time spent up to now is 55.6 secs Computing kpt #: 92 total cpu time spent up to now is 56.2 secs Computing kpt #: 93 total cpu time spent up to now is 56.7 secs Computing kpt #: 94 total cpu time spent up to now is 57.2 secs Computing kpt #: 95 total cpu time spent up to now is 57.7 secs Computing kpt #: 96 total cpu time spent up to now is 58.2 secs Computing kpt #: 97 total cpu time spent up to now is 58.7 secs Computing kpt #: 98 total cpu time spent up to now is 59.3 secs Computing kpt #: 99 total cpu time spent up to now is 59.8 secs Computing kpt #: 100 total cpu time spent up to now is 60.3 secs Computing kpt #: 101 total cpu time spent up to now is 60.8 secs Computing kpt #: 102 total cpu time spent up to now is 61.3 secs Computing kpt #: 103 total cpu time spent up to now is 61.8 secs Computing kpt #: 104 total cpu time spent up to now is 62.3 secs Computing kpt #: 105 total cpu time spent up to now is 62.9 secs Computing kpt #: 106 total cpu time spent up to now is 63.4 secs Computing kpt #: 107 total cpu time spent up to now is 64.0 secs Computing kpt #: 108 total cpu time spent up to now is 64.5 secs Computing kpt #: 109 total cpu time spent up to now is 65.0 secs Computing kpt #: 110 total cpu time spent up to now is 65.6 secs Computing kpt #: 111 total cpu time spent up to now is 66.1 secs Computing kpt #: 112 total cpu time spent up to now is 66.6 secs Computing kpt #: 113 total cpu time spent up to now is 67.1 secs Computing kpt #: 114 total cpu time spent up to now is 67.6 secs Computing kpt #: 115 total cpu time spent up to now is 68.1 secs Computing kpt #: 116 total cpu time spent up to now is 68.6 secs Computing kpt #: 117 total cpu time spent up to now is 69.1 secs Computing kpt #: 118 total cpu time spent up to now is 69.6 secs Computing kpt #: 119 total cpu time spent up to now is 70.1 secs Computing kpt #: 120 total cpu time spent up to now is 70.6 secs Computing kpt #: 121 total cpu time spent up to now is 71.1 secs Computing kpt #: 122 total cpu time spent up to now is 71.6 secs Computing kpt #: 123 total cpu time spent up to now is 72.1 secs Computing kpt #: 124 total cpu time spent up to now is 72.6 secs Computing kpt #: 125 total cpu time spent up to now is 73.1 secs Computing kpt #: 126 total cpu time spent up to now is 73.5 secs Computing kpt #: 127 total cpu time spent up to now is 74.0 secs Computing kpt #: 128 total cpu time spent up to now is 74.5 secs Computing kpt #: 129 total cpu time spent up to now is 75.0 secs Computing kpt #: 130 total cpu time spent up to now is 75.5 secs Computing kpt #: 131 total cpu time spent up to now is 75.9 secs Computing kpt #: 132 total cpu time spent up to now is 76.4 secs Computing kpt #: 133 total cpu time spent up to now is 76.9 secs Computing kpt #: 134 total cpu time spent up to now is 77.3 secs Computing kpt #: 135 total cpu time spent up to now is 77.8 secs Computing kpt #: 136 total cpu time spent up to now is 78.3 secs Computing kpt #: 137 total cpu time spent up to now is 78.8 secs Computing kpt #: 138 total cpu time spent up to now is 79.2 secs Computing kpt #: 139 total cpu time spent up to now is 79.7 secs Computing kpt #: 140 total cpu time spent up to now is 80.2 secs Computing kpt #: 141 total cpu time spent up to now is 80.6 secs Computing kpt #: 142 total cpu time spent up to now is 81.1 secs Computing kpt #: 143 total cpu time spent up to now is 81.6 secs Computing kpt #: 144 total cpu time spent up to now is 82.1 secs Computing kpt #: 145 total cpu time spent up to now is 82.5 secs Computing kpt #: 146 total cpu time spent up to now is 83.0 secs Computing kpt #: 147 total cpu time spent up to now is 83.5 secs Computing kpt #: 148 total cpu time spent up to now is 84.0 secs Computing kpt #: 149 total cpu time spent up to now is 84.4 secs Computing kpt #: 150 total cpu time spent up to now is 84.9 secs Computing kpt #: 151 total cpu time spent up to now is 85.4 secs Computing kpt #: 152 total cpu time spent up to now is 85.9 secs Computing kpt #: 153 total cpu time spent up to now is 86.3 secs Computing kpt #: 154 total cpu time spent up to now is 86.8 secs Computing kpt #: 155 total cpu time spent up to now is 87.3 secs Computing kpt #: 156 total cpu time spent up to now is 87.8 secs Computing kpt #: 157 total cpu time spent up to now is 88.3 secs Computing kpt #: 158 total cpu time spent up to now is 88.8 secs Computing kpt #: 159 total cpu time spent up to now is 89.3 secs Computing kpt #: 160 total cpu time spent up to now is 89.8 secs Computing kpt #: 161 total cpu time spent up to now is 90.3 secs Computing kpt #: 162 total cpu time spent up to now is 90.8 secs Computing kpt #: 163 total cpu time spent up to now is 91.3 secs Computing kpt #: 164 total cpu time spent up to now is 91.8 secs Computing kpt #: 165 total cpu time spent up to now is 92.3 secs Computing kpt #: 166 total cpu time spent up to now is 92.8 secs Computing kpt #: 167 total cpu time spent up to now is 93.3 secs Computing kpt #: 168 total cpu time spent up to now is 93.8 secs Computing kpt #: 169 total cpu time spent up to now is 94.3 secs Computing kpt #: 170 total cpu time spent up to now is 94.8 secs Computing kpt #: 171 total cpu time spent up to now is 95.4 secs Computing kpt #: 172 total cpu time spent up to now is 95.9 secs Computing kpt #: 173 total cpu time spent up to now is 96.4 secs Computing kpt #: 174 total cpu time spent up to now is 96.9 secs Computing kpt #: 175 total cpu time spent up to now is 97.4 secs Computing kpt #: 176 total cpu time spent up to now is 98.0 secs Computing kpt #: 177 total cpu time spent up to now is 98.5 secs Computing kpt #: 178 total cpu time spent up to now is 99.0 secs Computing kpt #: 179 total cpu time spent up to now is 99.6 secs Computing kpt #: 180 total cpu time spent up to now is 100.1 secs Computing kpt #: 181 total cpu time spent up to now is 100.6 secs Computing kpt #: 182 total cpu time spent up to now is 101.2 secs Computing kpt #: 183 total cpu time spent up to now is 101.8 secs Computing kpt #: 184 total cpu time spent up to now is 102.3 secs Computing kpt #: 185 total cpu time spent up to now is 103.0 secs Computing kpt #: 186 total cpu time spent up to now is 104.0 secs Computing kpt #: 187 total cpu time spent up to now is 104.9 secs Computing kpt #: 188 total cpu time spent up to now is 105.8 secs Computing kpt #: 189 total cpu time spent up to now is 106.5 secs Computing kpt #: 190 total cpu time spent up to now is 107.2 secs Computing kpt #: 191 total cpu time spent up to now is 107.9 secs Computing kpt #: 192 total cpu time spent up to now is 108.5 secs Computing kpt #: 193 total cpu time spent up to now is 109.2 secs Computing kpt #: 194 total cpu time spent up to now is 109.9 secs Computing kpt #: 195 total cpu time spent up to now is 110.5 secs Computing kpt #: 196 total cpu time spent up to now is 111.2 secs Computing kpt #: 197 total cpu time spent up to now is 111.8 secs Computing kpt #: 198 total cpu time spent up to now is 112.4 secs Computing kpt #: 199 total cpu time spent up to now is 113.0 secs Computing kpt #: 200 total cpu time spent up to now is 113.6 secs Computing kpt #: 201 total cpu time spent up to now is 114.1 secs Computing kpt #: 202 total cpu time spent up to now is 114.5 secs Computing kpt #: 203 total cpu time spent up to now is 115.1 secs Computing kpt #: 204 total cpu time spent up to now is 115.6 secs Computing kpt #: 205 total cpu time spent up to now is 116.3 secs Computing kpt #: 206 total cpu time spent up to now is 116.9 secs Computing kpt #: 207 total cpu time spent up to now is 117.4 secs Computing kpt #: 208 total cpu time spent up to now is 117.9 secs Computing kpt #: 209 total cpu time spent up to now is 118.5 secs Computing kpt #: 210 total cpu time spent up to now is 119.1 secs Computing kpt #: 211 total cpu time spent up to now is 119.8 secs Computing kpt #: 212 total cpu time spent up to now is 120.4 secs Computing kpt #: 213 total cpu time spent up to now is 121.1 secs Computing kpt #: 214 total cpu time spent up to now is 121.7 secs Computing kpt #: 215 total cpu time spent up to now is 122.4 secs Computing kpt #: 216 total cpu time spent up to now is 123.0 secs Computing kpt #: 217 total cpu time spent up to now is 123.7 secs Computing kpt #: 218 total cpu time spent up to now is 124.4 secs Computing kpt #: 219 total cpu time spent up to now is 125.0 secs Computing kpt #: 220 total cpu time spent up to now is 125.9 secs Computing kpt #: 221 total cpu time spent up to now is 126.8 secs Computing kpt #: 222 total cpu time spent up to now is 127.5 secs Computing kpt #: 223 total cpu time spent up to now is 128.7 secs Computing kpt #: 224 total cpu time spent up to now is 129.4 secs Computing kpt #: 225 total cpu time spent up to now is 130.4 secs Computing kpt #: 226 total cpu time spent up to now is 131.3 secs Computing kpt #: 227 total cpu time spent up to now is 132.3 secs Computing kpt #: 228 total cpu time spent up to now is 133.3 secs Computing kpt #: 229 total cpu time spent up to now is 134.2 secs Computing kpt #: 230 total cpu time spent up to now is 135.2 secs Computing kpt #: 231 total cpu time spent up to now is 136.1 secs Computing kpt #: 232 total cpu time spent up to now is 137.0 secs Computing kpt #: 233 total cpu time spent up to now is 137.8 secs Computing kpt #: 234 total cpu time spent up to now is 138.5 secs Computing kpt #: 235 total cpu time spent up to now is 139.3 secs Computing kpt #: 236 total cpu time spent up to now is 140.0 secs Computing kpt #: 237 total cpu time spent up to now is 140.7 secs Computing kpt #: 238 total cpu time spent up to now is 141.5 secs Computing kpt #: 239 total cpu time spent up to now is 142.2 secs Computing kpt #: 240 total cpu time spent up to now is 143.0 secs Computing kpt #: 241 total cpu time spent up to now is 143.7 secs Computing kpt #: 242 total cpu time spent up to now is 144.2 secs Computing kpt #: 243 total cpu time spent up to now is 144.7 secs Computing kpt #: 244 total cpu time spent up to now is 145.2 secs Computing kpt #: 245 total cpu time spent up to now is 145.8 secs Computing kpt #: 246 total cpu time spent up to now is 146.3 secs Computing kpt #: 247 total cpu time spent up to now is 146.8 secs Computing kpt #: 248 total cpu time spent up to now is 147.3 secs Computing kpt #: 249 total cpu time spent up to now is 147.8 secs Computing kpt #: 250 total cpu time spent up to now is 148.3 secs Computing kpt #: 251 total cpu time spent up to now is 148.9 secs Computing kpt #: 252 total cpu time spent up to now is 149.7 secs Computing kpt #: 253 total cpu time spent up to now is 150.4 secs Computing kpt #: 254 total cpu time spent up to now is 151.1 secs Computing kpt #: 255 total cpu time spent up to now is 151.8 secs Computing kpt #: 256 total cpu time spent up to now is 152.6 secs Computing kpt #: 257 total cpu time spent up to now is 153.3 secs Computing kpt #: 258 total cpu time spent up to now is 154.0 secs Computing kpt #: 259 total cpu time spent up to now is 154.7 secs Computing kpt #: 260 total cpu time spent up to now is 155.5 secs Computing kpt #: 261 total cpu time spent up to now is 156.2 secs Computing kpt #: 262 total cpu time spent up to now is 156.9 secs Computing kpt #: 263 total cpu time spent up to now is 157.7 secs Computing kpt #: 264 total cpu time spent up to now is 158.7 secs Computing kpt #: 265 total cpu time spent up to now is 159.4 secs Computing kpt #: 266 total cpu time spent up to now is 160.4 secs Computing kpt #: 267 total cpu time spent up to now is 161.3 secs Computing kpt #: 268 total cpu time spent up to now is 162.3 secs Computing kpt #: 269 total cpu time spent up to now is 163.5 secs Computing kpt #: 270 total cpu time spent up to now is 164.5 secs Computing kpt #: 271 total cpu time spent up to now is 165.5 secs Computing kpt #: 272 total cpu time spent up to now is 166.5 secs Computing kpt #: 273 total cpu time spent up to now is 167.5 secs Computing kpt #: 274 total cpu time spent up to now is 168.2 secs Computing kpt #: 275 total cpu time spent up to now is 169.1 secs ethr = 1.72E-08, avg # of iterations = 19.6 total cpu time spent up to now is 169.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4051 PWs) bands (ev): -20.6997 -20.6997 -19.9558 -19.9558 -19.9358 -19.9358 -19.9358 -19.9358 -19.9337 -19.9337 -19.9288 -19.9288 -4.4311 -4.4311 -3.5978 -3.5978 -3.5967 -3.5967 -2.9269 -2.9269 -2.9173 -2.9173 -2.7401 -2.7401 -2.7123 -2.7123 -2.6896 -2.6896 -2.6787 -2.6787 -0.9548 -0.9548 -0.5748 -0.5748 -0.5221 -0.5221 -0.5166 -0.5166 -0.3574 -0.3574 -0.3225 -0.3225 -0.3099 -0.3099 -0.2151 -0.2151 -0.1970 -0.1970 1.6868 1.6868 1.7193 1.7193 1.7825 1.7825 2.3235 2.3235 2.3754 2.3754 2.7675 2.7675 3.1833 3.1833 3.2060 3.2060 5.0265 5.0265 5.0317 5.0317 8.3886 8.3886 k = 0.0132-0.0085-0.0059 ( 4058 PWs) bands (ev): -20.6994 -20.6994 -19.9559 -19.9559 -19.9362 -19.9362 -19.9359 -19.9359 -19.9335 -19.9335 -19.9288 -19.9288 -4.4305 -4.4305 -3.5974 -3.5974 -3.5963 -3.5963 -2.9276 -2.9276 -2.9181 -2.9181 -2.7389 -2.7389 -2.7142 -2.7142 -2.6932 -2.6932 -2.6727 -2.6727 -0.9553 -0.9553 -0.5762 -0.5762 -0.5227 -0.5227 -0.5169 -0.5169 -0.3581 -0.3581 -0.3235 -0.3235 -0.3111 -0.3111 -0.2147 -0.2147 -0.1966 -0.1966 1.6876 1.6876 1.7201 1.7201 1.7833 1.7833 2.3242 2.3242 2.3761 2.3761 2.7672 2.7672 3.1833 3.1833 3.2060 3.2060 5.0255 5.0255 5.0307 5.0307 8.3911 8.3911 k = 0.0263-0.0169-0.0117 ( 4056 PWs) bands (ev): -20.6984 -20.6984 -19.9561 -19.9561 -19.9372 -19.9372 -19.9363 -19.9363 -19.9330 -19.9330 -19.9288 -19.9288 -4.4286 -4.4286 -3.5961 -3.5961 -3.5950 -3.5950 -2.9296 -2.9296 -2.9202 -2.9202 -2.7355 -2.7355 -2.7197 -2.7197 -2.6959 -2.6959 -2.6623 -2.6623 -0.9567 -0.9567 -0.5801 -0.5801 -0.5248 -0.5248 -0.5175 -0.5175 -0.3602 -0.3602 -0.3268 -0.3268 -0.3144 -0.3144 -0.2135 -0.2135 -0.1955 -0.1955 1.6900 1.6900 1.7225 1.7225 1.7858 1.7858 2.3266 2.3266 2.3786 2.3786 2.7662 2.7662 3.1833 3.1833 3.2059 3.2059 5.0226 5.0226 5.0278 5.0278 8.3987 8.3987 k = 0.0395-0.0254-0.0176 ( 4060 PWs) bands (ev): -20.6969 -20.6969 -19.9565 -19.9565 -19.9384 -19.9384 -19.9369 -19.9369 -19.9327 -19.9327 -19.9287 -19.9287 -4.4254 -4.4254 -3.5941 -3.5941 -3.5930 -3.5930 -2.9330 -2.9330 -2.9235 -2.9235 -2.7329 -2.7329 -2.7248 -2.7248 -2.6957 -2.6957 -2.6508 -2.6508 -0.9590 -0.9590 -0.5866 -0.5866 -0.5289 -0.5289 -0.5182 -0.5182 -0.3637 -0.3637 -0.3321 -0.3321 -0.3192 -0.3192 -0.2120 -0.2120 -0.1936 -0.1936 1.6941 1.6941 1.7265 1.7265 1.7899 1.7899 2.3306 2.3306 2.3826 2.3826 2.7646 2.7646 3.1834 3.1834 3.2057 3.2057 5.0178 5.0178 5.0229 5.0229 8.4113 8.4113 k = 0.0526-0.0339-0.0235 ( 4061 PWs) bands (ev): -20.6947 -20.6947 -19.9571 -19.9571 -19.9400 -19.9400 -19.9377 -19.9377 -19.9325 -19.9325 -19.9285 -19.9285 -4.4209 -4.4209 -3.5913 -3.5913 -3.5902 -3.5902 -2.9375 -2.9375 -2.9281 -2.9281 -2.7402 -2.7402 -2.7194 -2.7194 -2.6936 -2.6936 -2.6388 -2.6388 -0.9624 -0.9624 -0.5955 -0.5955 -0.5356 -0.5356 -0.5190 -0.5190 -0.3682 -0.3682 -0.3392 -0.3392 -0.3251 -0.3251 -0.2104 -0.2104 -0.1910 -0.1910 1.6997 1.6997 1.7321 1.7321 1.7956 1.7956 2.3361 2.3361 2.3881 2.3881 2.7624 2.7624 3.1834 3.1834 3.2056 3.2056 5.0109 5.0109 5.0161 5.0161 8.4288 8.4288 k = 0.0658-0.0424-0.0293 ( 4062 PWs) bands (ev): -20.6919 -20.6919 -19.9582 -19.9582 -19.9418 -19.9418 -19.9387 -19.9387 -19.9325 -19.9325 -19.9280 -19.9280 -4.4152 -4.4152 -3.5877 -3.5877 -3.5866 -3.5866 -2.9430 -2.9430 -2.9337 -2.9337 -2.7500 -2.7500 -2.7104 -2.7104 -2.6898 -2.6898 -2.6263 -2.6263 -0.9668 -0.9668 -0.6067 -0.6067 -0.5454 -0.5454 -0.5200 -0.5200 -0.3735 -0.3735 -0.3474 -0.3474 -0.3318 -0.3318 -0.2089 -0.2089 -0.1881 -0.1881 1.7068 1.7068 1.7392 1.7392 1.8028 1.8028 2.3431 2.3431 2.3952 2.3952 2.7595 2.7595 3.1836 3.1836 3.2056 3.2056 5.0022 5.0022 5.0075 5.0075 8.4513 8.4513 k = 0.0789-0.0508-0.0352 ( 4057 PWs) bands (ev): -20.6885 -20.6885 -19.9597 -19.9597 -19.9438 -19.9438 -19.9396 -19.9396 -19.9325 -19.9325 -19.9275 -19.9275 -4.4082 -4.4082 -3.5834 -3.5834 -3.5821 -3.5821 -2.9497 -2.9497 -2.9399 -2.9399 -2.7601 -2.7601 -2.7008 -2.7008 -2.6838 -2.6838 -2.6135 -2.6135 -0.9722 -0.9722 -0.6203 -0.6203 -0.5588 -0.5588 -0.5212 -0.5212 -0.3793 -0.3793 -0.3560 -0.3560 -0.3391 -0.3391 -0.2076 -0.2076 -0.1849 -0.1849 1.7154 1.7154 1.7477 1.7477 1.8115 1.8115 2.3514 2.3514 2.4036 2.4036 2.7561 2.7561 3.1838 3.1838 3.2057 3.2057 4.9915 4.9915 4.9970 4.9970 8.4787 8.4787 k = 0.0921-0.0593-0.0411 ( 4055 PWs) bands (ev): -20.6844 -20.6844 -19.9620 -19.9620 -19.9457 -19.9457 -19.9407 -19.9407 -19.9325 -19.9325 -19.9269 -19.9269 -4.4000 -4.4000 -3.5783 -3.5783 -3.5769 -3.5769 -2.9576 -2.9576 -2.9466 -2.9466 -2.7702 -2.7702 -2.6922 -2.6922 -2.6744 -2.6744 -2.6005 -2.6005 -0.9787 -0.9787 -0.6362 -0.6362 -0.5763 -0.5763 -0.5226 -0.5226 -0.3854 -0.3854 -0.3644 -0.3644 -0.3468 -0.3468 -0.2065 -0.2065 -0.1817 -0.1817 1.7253 1.7253 1.7576 1.7576 1.8217 1.8217 2.3610 2.3610 2.4133 2.4133 2.7520 2.7520 3.1841 3.1841 3.2062 3.2062 4.9788 4.9788 4.9847 4.9847 8.5108 8.5108 k = 0.1053-0.0678-0.0470 ( 4051 PWs) bands (ev): -20.6798 -20.6798 -19.9653 -19.9653 -19.9474 -19.9474 -19.9417 -19.9417 -19.9326 -19.9326 -19.9263 -19.9263 -4.3906 -4.3906 -3.5725 -3.5725 -3.5709 -3.5709 -2.9670 -2.9670 -2.9533 -2.9533 -2.7803 -2.7803 -2.6849 -2.6849 -2.6617 -2.6617 -2.5871 -2.5871 -0.9865 -0.9865 -0.6542 -0.6542 -0.5979 -0.5979 -0.5244 -0.5244 -0.3917 -0.3917 -0.3720 -0.3720 -0.3548 -0.3548 -0.2056 -0.2056 -0.1787 -0.1787 1.7365 1.7365 1.7688 1.7688 1.8331 1.8331 2.3716 2.3716 2.4241 2.4241 2.7473 2.7473 3.1845 3.1845 3.2072 3.2072 4.9643 4.9643 4.9707 4.9707 8.5477 8.5477 k = 0.1184-0.0762-0.0528 ( 4049 PWs) bands (ev): -20.6746 -20.6746 -19.9697 -19.9697 -19.9487 -19.9487 -19.9427 -19.9427 -19.9326 -19.9326 -19.9257 -19.9257 -4.3799 -4.3799 -3.5659 -3.5659 -3.5643 -3.5643 -2.9779 -2.9779 -2.9598 -2.9598 -2.7901 -2.7901 -2.6779 -2.6779 -2.6466 -2.6466 -2.5733 -2.5733 -0.9955 -0.9955 -0.6746 -0.6746 -0.6237 -0.6237 -0.5266 -0.5266 -0.3981 -0.3981 -0.3787 -0.3787 -0.3625 -0.3625 -0.2049 -0.2049 -0.1759 -0.1759 1.7489 1.7489 1.7812 1.7812 1.8458 1.8458 2.3832 2.3832 2.4359 2.4359 2.7421 2.7421 3.1852 3.1852 3.2087 3.2087 4.9478 4.9478 4.9548 4.9548 8.5892 8.5892 k = 0.1316-0.0847-0.0587 ( 4055 PWs) bands (ev): -20.6688 -20.6688 -19.9750 -19.9750 -19.9498 -19.9498 -19.9437 -19.9437 -19.9326 -19.9326 -19.9251 -19.9251 -4.3681 -4.3681 -3.5587 -3.5587 -3.5569 -3.5569 -2.9902 -2.9902 -2.9661 -2.9661 -2.7999 -2.7999 -2.6707 -2.6707 -2.6300 -2.6300 -2.5593 -2.5593 -1.0058 -1.0058 -0.6971 -0.6971 -0.6534 -0.6534 -0.5292 -0.5292 -0.4048 -0.4048 -0.3847 -0.3847 -0.3694 -0.3694 -0.2044 -0.2044 -0.1734 -0.1734 1.7623 1.7623 1.7947 1.7947 1.8596 1.8596 2.3956 2.3956 2.4484 2.4484 2.7362 2.7362 3.1861 3.1861 3.2111 3.2111 4.9294 4.9294 4.9373 4.9373 8.6352 8.6352 k = 0.1447-0.0932-0.0646 ( 4059 PWs) bands (ev): -20.6624 -20.6624 -19.9812 -19.9812 -19.9505 -19.9505 -19.9447 -19.9447 -19.9326 -19.9326 -19.9245 -19.9245 -4.3551 -4.3551 -3.5508 -3.5508 -3.5488 -3.5488 -3.0039 -3.0039 -2.9722 -2.9722 -2.8095 -2.8095 -2.6630 -2.6630 -2.6122 -2.6122 -2.5449 -2.5449 -1.0175 -1.0175 -0.7220 -0.7220 -0.6864 -0.6864 -0.5322 -0.5322 -0.4117 -0.4117 -0.3905 -0.3905 -0.3746 -0.3746 -0.2042 -0.2042 -0.1712 -0.1712 1.7768 1.7768 1.8093 1.8093 1.8744 1.8744 2.4085 2.4085 2.4615 2.4615 2.7298 2.7298 3.1874 3.1874 3.2144 3.2144 4.9091 4.9091 4.9181 4.9181 8.6855 8.6855 k = 0.1579-0.1016-0.0704 ( 4057 PWs) bands (ev): -20.6555 -20.6555 -19.9881 -19.9881 -19.9512 -19.9512 -19.9457 -19.9457 -19.9326 -19.9326 -19.9240 -19.9240 -4.3409 -4.3409 -3.5422 -3.5422 -3.5402 -3.5402 -3.0188 -3.0188 -2.9781 -2.9781 -2.8190 -2.8190 -2.6545 -2.6545 -2.5934 -2.5934 -2.5301 -2.5301 -1.0307 -1.0307 -0.7493 -0.7493 -0.7223 -0.7223 -0.5357 -0.5357 -0.4185 -0.4185 -0.3964 -0.3964 -0.3779 -0.3779 -0.2042 -0.2042 -0.1695 -0.1695 1.7921 1.7921 1.8249 1.8249 1.8903 1.8903 2.4218 2.4218 2.4749 2.4749 2.7229 2.7229 3.1894 3.1894 3.2189 3.2189 4.8871 4.8871 4.8974 4.8974 8.7402 8.7402 k = 0.1711-0.1101-0.0763 ( 4055 PWs) bands (ev): -20.6480 -20.6480 -19.9958 -19.9958 -19.9518 -19.9518 -19.9467 -19.9467 -19.9326 -19.9326 -19.9235 -19.9235 -4.3256 -4.3256 -3.5329 -3.5329 -3.5309 -3.5309 -3.0350 -3.0350 -2.9839 -2.9839 -2.8284 -2.8284 -2.6453 -2.6453 -2.5737 -2.5737 -2.5148 -2.5148 -1.0455 -1.0455 -0.7795 -0.7795 -0.7599 -0.7599 -0.5396 -0.5396 -0.4252 -0.4252 -0.4021 -0.4021 -0.3796 -0.3796 -0.2046 -0.2046 -0.1682 -0.1682 1.8083 1.8083 1.8413 1.8413 1.9070 1.9070 2.4352 2.4352 2.4883 2.4883 2.7155 2.7155 3.1921 3.1921 3.2246 3.2246 4.8632 4.8632 4.8750 4.8750 8.7990 8.7990 k = 0.1842-0.1186-0.0822 ( 4057 PWs) bands (ev): -20.6399 -20.6399 -20.0041 -20.0041 -19.9523 -19.9523 -19.9476 -19.9476 -19.9325 -19.9325 -19.9231 -19.9231 -4.3092 -4.3092 -3.5231 -3.5231 -3.5211 -3.5211 -3.0522 -3.0522 -2.9894 -2.9894 -2.8378 -2.8378 -2.6352 -2.6352 -2.5531 -2.5531 -2.4991 -2.4991 -1.0619 -1.0619 -0.8144 -0.8144 -0.7972 -0.7972 -0.5438 -0.5438 -0.4317 -0.4317 -0.4071 -0.4071 -0.3802 -0.3802 -0.2053 -0.2053 -0.1674 -0.1674 1.8252 1.8252 1.8586 1.8586 1.9245 1.9245 2.4484 2.4484 2.5015 2.5015 2.7076 2.7076 3.1959 3.1959 3.2318 3.2318 4.8377 4.8377 4.8511 4.8511 8.8618 8.8618 k = 0.1974-0.1271-0.0880 ( 4052 PWs) bands (ev): -20.6313 -20.6313 -20.0131 -20.0131 -19.9528 -19.9528 -19.9485 -19.9485 -19.9324 -19.9324 -19.9227 -19.9227 -4.2917 -4.2917 -3.5127 -3.5127 -3.5109 -3.5109 -3.0705 -3.0705 -2.9949 -2.9949 -2.8471 -2.8471 -2.6242 -2.6242 -2.5318 -2.5318 -2.4829 -2.4829 -1.0800 -1.0800 -0.8549 -0.8549 -0.8327 -0.8327 -0.5481 -0.5481 -0.4381 -0.4381 -0.4110 -0.4110 -0.3801 -0.3801 -0.2063 -0.2063 -0.1670 -0.1670 1.8428 1.8428 1.8765 1.8765 1.9427 1.9427 2.4613 2.4613 2.5140 2.5140 2.6994 2.6994 3.2009 3.2009 3.2406 3.2406 4.8105 4.8105 4.8257 4.8257 8.9285 8.9285 k = 0.2105-0.1355-0.0939 ( 4056 PWs) bands (ev): -20.6222 -20.6222 -20.0226 -20.0226 -19.9533 -19.9533 -19.9494 -19.9494 -19.9322 -19.9322 -19.9223 -19.9223 -4.2732 -4.2732 -3.5017 -3.5017 -3.5002 -3.5002 -3.0897 -3.0897 -3.0003 -3.0003 -2.8565 -2.8565 -2.6124 -2.6124 -2.5097 -2.5097 -2.4662 -2.4662 -1.0999 -1.0999 -0.8994 -0.8994 -0.8678 -0.8678 -0.5524 -0.5524 -0.4443 -0.4443 -0.4136 -0.4136 -0.3796 -0.3796 -0.2076 -0.2076 -0.1671 -0.1671 1.8609 1.8609 1.8952 1.8952 1.9615 1.9615 2.4735 2.4735 2.5256 2.5256 2.6907 2.6907 3.2074 3.2074 3.2512 3.2512 4.7816 4.7816 4.7988 4.7988 8.9989 8.9989 k = 0.2237-0.1440-0.0998 ( 4057 PWs) bands (ev): -20.6126 -20.6126 -20.0327 -20.0327 -19.9538 -19.9538 -19.9503 -19.9503 -19.9321 -19.9321 -19.9220 -19.9220 -4.2537 -4.2537 -3.4903 -3.4903 -3.4890 -3.4890 -3.1098 -3.1098 -3.0055 -3.0055 -2.8660 -2.8660 -2.5996 -2.5996 -2.4870 -2.4870 -2.4489 -2.4489 -1.1214 -1.1214 -0.9461 -0.9461 -0.9035 -0.9035 -0.5565 -0.5565 -0.4502 -0.4502 -0.4149 -0.4149 -0.3788 -0.3788 -0.2093 -0.2093 -0.1676 -0.1676 1.8796 1.8796 1.9144 1.9144 1.9809 1.9809 2.4847 2.4847 2.5359 2.5359 2.6818 2.6818 3.2157 3.2157 3.2638 3.2638 4.7512 4.7512 4.7706 4.7706 9.0729 9.0729 k = 0.2368-0.1525-0.1057 ( 4057 PWs) bands (ev): -20.6025 -20.6025 -20.0433 -20.0433 -19.9542 -19.9542 -19.9511 -19.9511 -19.9319 -19.9319 -19.9217 -19.9217 -4.2332 -4.2332 -3.4786 -3.4786 -3.4775 -3.4775 -3.1307 -3.1307 -3.0108 -3.0108 -2.8756 -2.8756 -2.5857 -2.5857 -2.4635 -2.4635 -2.4309 -2.4309 -1.1446 -1.1446 -0.9945 -0.9945 -0.9402 -0.9402 -0.5602 -0.5602 -0.4557 -0.4557 -0.4152 -0.4152 -0.3779 -0.3779 -0.2113 -0.2113 -0.1686 -0.1686 1.8986 1.8986 1.9341 1.9341 2.0008 2.0008 2.4948 2.4948 2.5445 2.5445 2.6728 2.6728 3.2260 3.2260 3.2785 3.2785 4.7192 4.7192 4.7410 4.7410 9.1503 9.1503 k = 0.2500-0.1609-0.1115 ( 4058 PWs) bands (ev): -20.5919 -20.5919 -20.0544 -20.0544 -19.9547 -19.9547 -19.9519 -19.9519 -19.9317 -19.9317 -19.9215 -19.9215 -4.2118 -4.2118 -3.4669 -3.4669 -3.4652 -3.4652 -3.1522 -3.1522 -3.0160 -3.0160 -2.8854 -2.8854 -2.5709 -2.5709 -2.4395 -2.4395 -2.4121 -2.4121 -1.1695 -1.1695 -1.0441 -1.0441 -0.9780 -0.9780 -0.5632 -0.5632 -0.4607 -0.4607 -0.4145 -0.4145 -0.3769 -0.3769 -0.2137 -0.2137 -0.1701 -0.1701 1.9181 1.9181 1.9543 1.9543 2.0211 2.0211 2.5034 2.5034 2.5511 2.5511 2.6639 2.6639 3.2386 3.2386 3.2953 3.2953 4.6859 4.6859 4.7100 4.7100 9.2310 9.2310 k = 0.2632-0.1694-0.1174 ( 4058 PWs) bands (ev): -20.5809 -20.5809 -20.0660 -20.0660 -19.9553 -19.9553 -19.9527 -19.9527 -19.9314 -19.9314 -19.9213 -19.9213 -4.1894 -4.1894 -3.4553 -3.4553 -3.4524 -3.4524 -3.1744 -3.1744 -3.0213 -3.0213 -2.8954 -2.8954 -2.5550 -2.5550 -2.4150 -2.4150 -2.3924 -2.3924 -1.1959 -1.1959 -1.0945 -1.0945 -1.0167 -1.0167 -0.5656 -0.5656 -0.4652 -0.4652 -0.4130 -0.4130 -0.3759 -0.3759 -0.2165 -0.2165 -0.1720 -0.1720 1.9379 1.9379 1.9749 1.9749 2.0417 2.0417 2.5104 2.5104 2.5552 2.5552 2.6550 2.6550 3.2536 3.2536 3.3145 3.3145 4.6511 4.6511 4.6779 4.6779 9.3148 9.3148 k = 0.2763-0.1779-0.1233 ( 4062 PWs) bands (ev): -20.5694 -20.5694 -20.0780 -20.0780 -19.9558 -19.9558 -19.9534 -19.9534 -19.9311 -19.9311 -19.9211 -19.9211 -4.1662 -4.1662 -3.4438 -3.4438 -3.4392 -3.4392 -3.1969 -3.1969 -3.0267 -3.0267 -2.9056 -2.9056 -2.5381 -2.5381 -2.3903 -2.3903 -2.3715 -2.3715 -1.2239 -1.2239 -1.1454 -1.1454 -1.0563 -1.0563 -0.5672 -0.5672 -0.4692 -0.4692 -0.4109 -0.4109 -0.3750 -0.3750 -0.2195 -0.2195 -0.1744 -0.1744 1.9580 1.9580 1.9958 1.9958 2.0626 2.0626 2.5157 2.5157 2.5566 2.5566 2.6466 2.6466 3.2711 3.2711 3.3359 3.3359 4.6151 4.6151 4.6445 4.6445 9.4016 9.4016 k = 0.2895-0.1864-0.1291 ( 4060 PWs) bands (ev): -20.5575 -20.5575 -20.0905 -20.0905 -19.9563 -19.9563 -19.9541 -19.9541 -19.9308 -19.9308 -19.9210 -19.9210 -4.1422 -4.1422 -3.4326 -3.4326 -3.4255 -3.4255 -3.2196 -3.2196 -3.0321 -3.0321 -2.9160 -2.9160 -2.5200 -2.5200 -2.3659 -2.3659 -2.3490 -2.3490 -1.2533 -1.2533 -1.1967 -1.1967 -1.0967 -1.0967 -0.5679 -0.5679 -0.4726 -0.4726 -0.4081 -0.4081 -0.3742 -0.3742 -0.2228 -0.2228 -0.1772 -0.1772 1.9783 1.9783 2.0169 2.0169 2.0837 2.0837 2.5192 2.5192 2.5551 2.5551 2.6385 2.6385 3.2913 3.2913 3.3597 3.3597 4.5778 4.5778 4.6100 4.6100 9.4913 9.4913 k = 0.3026-0.1948-0.1350 ( 4064 PWs) bands (ev): -20.5452 -20.5452 -20.1034 -20.1034 -19.9568 -19.9568 -19.9547 -19.9547 -19.9305 -19.9305 -19.9210 -19.9210 -4.1175 -4.1175 -3.4221 -3.4221 -3.4116 -3.4116 -3.2422 -3.2422 -3.0376 -3.0376 -2.9268 -2.9268 -2.5008 -2.5008 -2.3421 -2.3421 -2.3245 -2.3245 -1.2842 -1.2842 -1.2478 -1.2478 -1.1377 -1.1377 -0.5678 -0.5678 -0.4755 -0.4755 -0.4050 -0.4050 -0.3735 -0.3735 -0.2264 -0.2264 -0.1804 -0.1804 1.9988 1.9988 2.0383 2.0383 2.1050 2.1050 2.5206 2.5206 2.5509 2.5509 2.6309 2.6309 3.3140 3.3140 3.3857 3.3857 4.5394 4.5394 4.5744 4.5744 9.5836 9.5836 k = 0.3158-0.2033-0.1409 ( 4068 PWs) bands (ev): -20.5325 -20.5325 -20.1166 -20.1166 -19.9573 -19.9573 -19.9554 -19.9554 -19.9302 -19.9302 -19.9209 -19.9209 -4.0920 -4.0920 -3.4129 -3.4129 -3.3974 -3.3974 -3.2640 -3.2640 -3.0434 -3.0434 -2.9378 -2.9378 -2.4804 -2.4804 -2.3189 -2.3189 -2.2980 -2.2980 -1.3174 -1.3174 -1.2975 -1.2975 -1.1792 -1.1792 -0.5669 -0.5669 -0.4779 -0.4779 -0.4014 -0.4014 -0.3729 -0.3729 -0.2302 -0.2302 -0.1840 -0.1840 2.0195 2.0195 2.0597 2.0597 2.1264 2.1264 2.5201 2.5201 2.5441 2.5441 2.6233 2.6233 3.3394 3.3394 3.4139 3.4139 4.4999 4.4999 4.5379 4.5379 9.6786 9.6786 k = 0.3289-0.2118-0.1467 ( 4070 PWs) bands (ev): -20.5195 -20.5195 -20.1302 -20.1302 -19.9578 -19.9578 -19.9560 -19.9560 -19.9298 -19.9298 -19.9209 -19.9209 -4.0659 -4.0659 -3.4061 -3.4061 -3.3831 -3.3831 -3.2840 -3.2840 -3.0492 -3.0492 -2.9491 -2.9491 -2.4589 -2.4589 -2.2960 -2.2960 -2.2699 -2.2699 -1.3580 -1.3580 -1.3405 -1.3405 -1.2210 -1.2210 -0.5651 -0.5651 -0.4798 -0.4798 -0.3977 -0.3977 -0.3723 -0.3723 -0.2341 -0.2341 -0.1880 -0.1880 2.0402 2.0402 2.0813 2.0813 2.1479 2.1479 2.5173 2.5173 2.5356 2.5356 2.6157 2.6157 3.3672 3.3672 3.4441 3.4441 4.4594 4.4594 4.5003 4.5003 9.7759 9.7759 k = 0.3421-0.2202-0.1526 ( 4070 PWs) bands (ev): -20.5061 -20.5061 -20.1441 -20.1441 -19.9582 -19.9582 -19.9565 -19.9565 -19.9294 -19.9294 -19.9210 -19.9210 -4.0392 -4.0392 -3.4038 -3.4038 -3.3686 -3.3686 -3.3000 -3.3000 -3.0552 -3.0552 -2.9606 -2.9606 -2.4362 -2.4362 -2.2730 -2.2730 -2.2407 -2.2407 -1.4063 -1.4063 -1.3759 -1.3759 -1.2631 -1.2631 -0.5625 -0.5625 -0.4814 -0.4814 -0.3938 -0.3938 -0.3719 -0.3719 -0.2380 -0.2380 -0.1923 -0.1923 2.0611 2.0611 2.1028 2.1028 2.1693 2.1693 2.5119 2.5119 2.5262 2.5262 2.6076 2.6076 3.3974 3.3974 3.4763 3.4763 4.4180 4.4180 4.4619 4.4619 9.8755 9.8755 k = 0.3553-0.2287-0.1585 ( 4070 PWs) bands (ev): -20.4923 -20.4923 -20.1583 -20.1583 -19.9587 -19.9587 -19.9570 -19.9570 -19.9290 -19.9290 -19.9211 -19.9211 -4.0119 -4.0119 -3.4086 -3.4086 -3.3541 -3.3541 -3.3095 -3.3095 -3.0612 -3.0612 -2.9724 -2.9724 -2.4123 -2.4123 -2.2498 -2.2498 -2.2105 -2.2105 -1.4560 -1.4560 -1.4098 -1.4098 -1.3053 -1.3053 -0.5593 -0.5593 -0.4826 -0.4826 -0.3899 -0.3899 -0.3714 -0.3714 -0.2420 -0.2420 -0.1969 -0.1969 2.0819 2.0819 2.1243 2.1243 2.1905 2.1905 2.5030 2.5030 2.5172 2.5172 2.5987 2.5987 3.4298 3.4298 3.5103 3.5103 4.3758 4.3758 4.4227 4.4227 9.9773 9.9773 k = 0.3684-0.2372-0.1643 ( 4067 PWs) bands (ev): -20.4783 -20.4783 -20.1728 -20.1728 -19.9590 -19.9590 -19.9575 -19.9575 -19.9285 -19.9285 -19.9212 -19.9212 -3.9841 -3.9841 -3.4216 -3.4216 -3.3396 -3.3396 -3.3113 -3.3113 -3.0674 -3.0674 -2.9845 -2.9845 -2.3873 -2.3873 -2.2265 -2.2265 -2.1795 -2.1795 -1.5052 -1.5052 -1.4433 -1.4433 -1.3474 -1.3474 -0.5555 -0.5555 -0.4837 -0.4837 -0.3861 -0.3861 -0.3710 -0.3710 -0.2458 -0.2458 -0.2017 -0.2017 2.1029 2.1029 2.1456 2.1456 2.2116 2.2116 2.4911 2.4911 2.5087 2.5087 2.5890 2.5890 3.4642 3.4642 3.5458 3.5458 4.3327 4.3327 4.3827 4.3827 10.0811 10.0811 k = 0.3816-0.2456-0.1702 ( 4060 PWs) bands (ev): -20.4640 -20.4640 -20.1875 -20.1875 -19.9594 -19.9594 -19.9580 -19.9580 -19.9281 -19.9281 -19.9214 -19.9214 -3.9558 -3.9558 -3.4411 -3.4411 -3.3253 -3.3253 -3.3074 -3.3074 -3.0736 -3.0736 -2.9967 -2.9967 -2.3612 -2.3612 -2.2034 -2.2034 -2.1477 -2.1477 -1.5534 -1.5534 -1.4766 -1.4766 -1.3893 -1.3893 -0.5512 -0.5512 -0.4847 -0.4847 -0.3825 -0.3825 -0.3703 -0.3703 -0.2494 -0.2494 -0.2068 -0.2068 2.1237 2.1237 2.1668 2.1668 2.2325 2.2325 2.4772 2.4772 2.5000 2.5000 2.5783 2.5783 3.5005 3.5005 3.5828 3.5828 4.2891 4.2891 4.3420 4.3420 10.1869 10.1869 k = 0.3947-0.2541-0.1761 ( 4064 PWs) bands (ev): -20.4494 -20.4494 -20.2025 -20.2025 -19.9597 -19.9597 -19.9584 -19.9584 -19.9277 -19.9277 -19.9216 -19.9216 -3.9272 -3.9272 -3.4643 -3.4643 -3.3113 -3.3113 -3.3003 -3.3003 -3.0797 -3.0797 -3.0091 -3.0091 -2.3342 -2.3342 -2.1806 -2.1806 -2.1154 -2.1154 -1.6001 -1.6001 -1.5095 -1.5095 -1.4308 -1.4308 -0.5464 -0.5464 -0.4857 -0.4857 -0.3794 -0.3794 -0.3695 -0.3695 -0.2527 -0.2527 -0.2120 -0.2120 2.1445 2.1445 2.1876 2.1876 2.2528 2.2528 2.4621 2.4621 2.4907 2.4907 2.5667 2.5667 3.5383 3.5383 3.6211 3.6211 4.2448 4.2448 4.3006 4.3006 10.2944 10.2944 k = 0.4079-0.2626-0.1820 ( 4065 PWs) bands (ev): -20.4347 -20.4347 -20.2176 -20.2176 -19.9600 -19.9600 -19.9588 -19.9588 -19.9272 -19.9272 -19.9218 -19.9218 -3.8982 -3.8982 -3.4899 -3.4899 -3.2978 -3.2978 -3.2918 -3.2918 -3.0855 -3.0855 -3.0216 -3.0216 -2.3062 -2.3062 -2.1586 -2.1586 -2.0826 -2.0826 -1.6451 -1.6451 -1.5417 -1.5417 -1.4715 -1.4715 -0.5414 -0.5414 -0.4868 -0.4868 -0.3768 -0.3768 -0.3683 -0.3683 -0.2554 -0.2554 -0.2174 -0.2174 2.1653 2.1653 2.2081 2.2081 2.2725 2.2725 2.4462 2.4462 2.4808 2.4808 2.5543 2.5543 3.5777 3.5777 3.6605 3.6605 4.2000 4.2000 4.2587 4.2587 10.4036 10.4036 k = 0.4211-0.2711-0.1878 ( 4066 PWs) bands (ev): -20.4197 -20.4197 -20.2329 -20.2329 -19.9602 -19.9602 -19.9592 -19.9592 -19.9268 -19.9268 -19.9221 -19.9221 -3.8689 -3.8689 -3.5168 -3.5168 -3.2850 -3.2850 -3.2827 -3.2827 -3.0909 -3.0909 -3.0340 -3.0340 -2.2774 -2.2774 -2.1381 -2.1381 -2.0495 -2.0495 -1.6876 -1.6876 -1.5726 -1.5726 -1.5113 -1.5113 -0.5361 -0.5361 -0.4882 -0.4882 -0.3748 -0.3748 -0.3670 -0.3670 -0.2575 -0.2575 -0.2228 -0.2228 2.1858 2.1858 2.2281 2.2281 2.2912 2.2912 2.4298 2.4298 2.4706 2.4706 2.5410 2.5410 3.6183 3.6183 3.7010 3.7010 4.1549 4.1549 4.2163 4.2163 10.5143 10.5143 k = 0.4342-0.2795-0.1937 ( 4066 PWs) bands (ev): -20.4045 -20.4045 -20.2484 -20.2484 -19.9604 -19.9604 -19.9595 -19.9595 -19.9263 -19.9263 -19.9224 -19.9224 -3.8394 -3.8394 -3.5446 -3.5446 -3.2738 -3.2738 -3.2732 -3.2732 -3.0956 -3.0956 -3.0462 -3.0462 -2.2482 -2.2482 -2.1201 -2.1201 -2.0163 -2.0163 -1.7272 -1.7272 -1.6018 -1.6018 -1.5496 -1.5496 -0.5307 -0.5307 -0.4899 -0.4899 -0.3731 -0.3731 -0.3657 -0.3657 -0.2589 -0.2589 -0.2282 -0.2282 2.2062 2.2062 2.2473 2.2473 2.3084 2.3084 2.4132 2.4132 2.4606 2.4606 2.5271 2.5271 3.6601 3.6601 3.7422 3.7422 4.1094 4.1094 4.1735 4.1735 10.6265 10.6265 k = 0.4474-0.2880-0.1996 ( 4068 PWs) bands (ev): -20.3891 -20.3891 -20.2639 -20.2639 -19.9605 -19.9605 -19.9598 -19.9598 -19.9259 -19.9259 -19.9227 -19.9227 -3.8098 -3.8098 -3.5731 -3.5731 -3.2652 -3.2652 -3.2629 -3.2629 -3.0993 -3.0993 -3.0580 -3.0580 -2.2189 -2.2189 -2.1059 -2.1059 -1.9834 -1.9834 -1.7630 -1.7630 -1.6283 -1.6283 -1.5857 -1.5857 -0.5253 -0.5253 -0.4921 -0.4921 -0.3716 -0.3716 -0.3648 -0.3648 -0.2593 -0.2593 -0.2335 -0.2335 2.2262 2.2262 2.2655 2.2655 2.3231 2.3231 2.3967 2.3967 2.4517 2.4517 2.5127 2.5127 3.7029 3.7029 3.7841 3.7841 4.0637 4.0637 4.1304 4.1304 10.7401 10.7401 k = 0.4605-0.2965-0.2054 ( 4069 PWs) bands (ev): -20.3737 -20.3737 -20.2796 -20.2796 -19.9606 -19.9606 -19.9600 -19.9600 -19.9254 -19.9254 -19.9230 -19.9230 -3.7800 -3.7800 -3.6020 -3.6020 -3.2576 -3.2576 -3.2545 -3.2545 -3.1014 -3.1014 -3.0691 -3.0691 -2.1900 -2.1900 -2.0971 -2.0971 -1.9514 -1.9514 -1.7943 -1.7943 -1.6511 -1.6511 -1.6185 -1.6185 -0.5200 -0.5200 -0.4947 -0.4947 -0.3701 -0.3701 -0.3643 -0.3643 -0.2588 -0.2588 -0.2386 -0.2386 2.2457 2.2457 2.2821 2.2821 2.3339 2.3339 2.3808 2.3808 2.4455 2.4455 2.4980 2.4980 3.7464 3.7464 3.8266 3.8266 4.0179 4.0179 4.0871 4.0871 10.8550 10.8550 k = 0.4737-0.3049-0.2113 ( 4073 PWs) bands (ev): -20.3581 -20.3581 -20.2953 -20.2953 -19.9606 -19.9606 -19.9602 -19.9602 -19.9250 -19.9250 -19.9234 -19.9234 -3.7501 -3.7501 -3.6312 -3.6312 -3.2514 -3.2514 -3.2485 -3.2485 -3.1016 -3.1016 -3.0792 -3.0792 -2.1624 -2.1624 -2.0956 -2.0956 -1.9210 -1.9210 -1.8212 -1.8212 -1.6684 -1.6684 -1.6464 -1.6464 -0.5148 -0.5148 -0.4978 -0.4978 -0.3687 -0.3687 -0.3644 -0.3644 -0.2573 -0.2573 -0.2434 -0.2434 2.2644 2.2644 2.2954 2.2954 2.3393 2.3393 2.3669 2.3669 2.4438 2.4438 2.4834 2.4834 3.7907 3.7907 3.8695 3.8695 3.9721 3.9721 4.0435 4.0435 10.9710 10.9710 k = 0.4868-0.3134-0.2172 ( 4074 PWs) bands (ev): -20.3424 -20.3424 -20.3110 -20.3110 -19.9606 -19.9606 -19.9604 -19.9604 -19.9246 -19.9246 -19.9238 -19.9238 -3.7203 -3.7203 -3.6608 -3.6608 -3.2469 -3.2469 -3.2451 -3.2451 -3.0994 -3.0994 -3.0879 -3.0879 -2.1374 -2.1374 -2.1022 -2.1022 -1.8930 -1.8930 -1.8448 -1.8448 -1.6780 -1.6780 -1.6669 -1.6669 -0.5100 -0.5100 -0.5014 -0.5014 -0.3672 -0.3672 -0.3650 -0.3650 -0.2549 -0.2549 -0.2478 -0.2478 2.2816 2.2816 2.3013 2.3013 2.3414 2.3414 2.3557 2.3557 2.4479 2.4479 2.4694 2.4694 3.8355 3.8355 3.9127 3.9127 3.9264 3.9264 3.9999 3.9999 11.0880 11.0880 k = 0.5000-0.3219-0.2230 ( 4074 PWs) bands (ev): -20.3267 -20.3267 -20.3267 -20.3267 -19.9605 -19.9605 -19.9605 -19.9605 -19.9242 -19.9242 -19.9242 -19.9242 -3.6905 -3.6905 -3.6904 -3.6904 -3.2448 -3.2448 -3.2446 -3.2446 -3.0949 -3.0949 -3.0947 -3.0947 -2.1168 -2.1168 -2.1166 -2.1166 -1.8680 -1.8680 -1.8679 -1.8679 -1.6779 -1.6779 -1.6778 -1.6778 -0.5055 -0.5055 -0.5055 -0.5055 -0.3660 -0.3660 -0.3660 -0.3660 -0.2517 -0.2517 -0.2517 -0.2517 2.2950 2.2950 2.2960 2.2960 2.3463 2.3463 2.3474 2.3474 2.4566 2.4566 2.4576 2.4576 3.8802 3.8802 3.8812 3.8812 3.9558 3.9558 3.9568 3.9568 11.2061 11.2061 k = 0.5000-0.3219-0.2230 ( 4074 PWs) bands (ev): -20.3267 -20.3267 -20.3267 -20.3267 -19.9605 -19.9605 -19.9605 -19.9605 -19.9242 -19.9242 -19.9242 -19.9242 -3.6905 -3.6905 -3.6904 -3.6904 -3.2448 -3.2448 -3.2446 -3.2446 -3.0949 -3.0949 -3.0947 -3.0947 -2.1168 -2.1168 -2.1166 -2.1166 -1.8680 -1.8680 -1.8679 -1.8679 -1.6779 -1.6779 -1.6778 -1.6778 -0.5055 -0.5055 -0.5055 -0.5055 -0.3660 -0.3660 -0.3660 -0.3660 -0.2517 -0.2517 -0.2517 -0.2517 2.2950 2.2950 2.2960 2.2960 2.3463 2.3463 2.3474 2.3474 2.4566 2.4566 2.4576 2.4576 3.8802 3.8802 3.8812 3.8812 3.9558 3.9558 3.9568 3.9568 11.2061 11.2061 k = 0.5000-0.3124-0.2368 ( 4070 PWs) bands (ev): -20.3266 -20.3266 -20.3266 -20.3266 -19.9606 -19.9606 -19.9606 -19.9606 -19.9242 -19.9242 -19.9241 -19.9241 -3.6920 -3.6920 -3.6918 -3.6918 -3.2453 -3.2453 -3.2451 -3.2451 -3.0925 -3.0925 -3.0920 -3.0920 -2.1190 -2.1190 -2.1172 -2.1172 -1.8719 -1.8719 -1.8653 -1.8653 -1.6768 -1.6768 -1.6724 -1.6724 -0.5077 -0.5077 -0.5058 -0.5058 -0.3670 -0.3670 -0.3648 -0.3648 -0.2522 -0.2522 -0.2520 -0.2520 2.2934 2.2934 2.2953 2.2953 2.3403 2.3403 2.3541 2.3541 2.4515 2.4515 2.4642 2.4642 3.8684 3.8684 3.8697 3.8697 3.9671 3.9671 3.9683 3.9683 11.2076 11.2077 k = 0.5000-0.3028-0.2505 ( 4080 PWs) bands (ev): -20.3263 -20.3263 -20.3263 -20.3263 -19.9610 -19.9610 -19.9610 -19.9610 -19.9242 -19.9242 -19.9241 -19.9241 -3.6964 -3.6964 -3.6960 -3.6960 -3.2468 -3.2468 -3.2466 -3.2466 -3.0854 -3.0854 -3.0845 -3.0845 -2.1238 -2.1238 -2.1206 -2.1206 -1.8766 -1.8766 -1.8643 -1.8643 -1.6694 -1.6694 -1.6612 -1.6612 -0.5125 -0.5125 -0.5086 -0.5086 -0.3679 -0.3679 -0.3636 -0.3636 -0.2536 -0.2536 -0.2530 -0.2530 2.2896 2.2896 2.2919 2.2919 2.3357 2.3357 2.3611 2.3611 2.4479 2.4479 2.4723 2.4723 3.8434 3.8434 3.8451 3.8451 3.9911 3.9911 3.9924 3.9924 11.2123 11.2125 k = 0.5000-0.2933-0.2643 ( 4080 PWs) bands (ev): -20.3258 -20.3258 -20.3258 -20.3258 -19.9616 -19.9616 -19.9616 -19.9616 -19.9242 -19.9242 -19.9240 -19.9240 -3.7034 -3.7034 -3.7028 -3.7028 -3.2489 -3.2489 -3.2488 -3.2488 -3.0739 -3.0739 -3.0725 -3.0725 -2.1311 -2.1311 -2.1268 -2.1268 -1.8808 -1.8808 -1.8642 -1.8642 -1.6562 -1.6562 -1.6453 -1.6453 -0.5196 -0.5196 -0.5141 -0.5141 -0.3686 -0.3686 -0.3625 -0.3625 -0.2557 -0.2557 -0.2549 -0.2549 2.2844 2.2844 2.2855 2.2855 2.3332 2.3332 2.3670 2.3670 2.4467 2.4467 2.4813 2.4813 3.8144 3.8144 3.8162 3.8162 4.0187 4.0187 4.0200 4.0200 11.2200 11.2204 k = 0.5000-0.2838-0.2780 ( 4072 PWs) bands (ev): -20.3251 -20.3251 -20.3250 -20.3250 -19.9625 -19.9625 -19.9624 -19.9624 -19.9242 -19.9242 -19.9239 -19.9239 -3.7128 -3.7128 -3.7120 -3.7120 -3.2513 -3.2513 -3.2512 -3.2512 -3.0586 -3.0586 -3.0569 -3.0569 -2.1407 -2.1407 -2.1356 -2.1356 -1.8838 -1.8838 -1.8644 -1.8644 -1.6382 -1.6382 -1.6257 -1.6257 -0.5288 -0.5288 -0.5219 -0.5219 -0.3695 -0.3695 -0.3615 -0.3615 -0.2584 -0.2584 -0.2575 -0.2575 2.2765 2.2765 2.2784 2.2784 2.3325 2.3325 2.3714 2.3714 2.4480 2.4480 2.4908 2.4908 3.7841 3.7841 3.7860 3.7860 4.0473 4.0473 4.0484 4.0484 11.2308 11.2314 k = 0.5000-0.2743-0.2917 ( 4072 PWs) bands (ev): -20.3242 -20.3242 -20.3241 -20.3241 -19.9636 -19.9636 -19.9635 -19.9635 -19.9241 -19.9241 -19.9238 -19.9238 -3.7242 -3.7242 -3.7234 -3.7234 -3.2538 -3.2538 -3.2536 -3.2536 -3.0402 -3.0402 -3.0382 -3.0382 -2.1523 -2.1523 -2.1469 -2.1469 -1.8851 -1.8851 -1.8641 -1.8641 -1.6166 -1.6166 -1.6032 -1.6032 -0.5401 -0.5401 -0.5320 -0.5320 -0.3706 -0.3706 -0.3610 -0.3610 -0.2618 -0.2618 -0.2608 -0.2608 2.2662 2.2662 2.2710 2.2710 2.3329 2.3329 2.3741 2.3741 2.4519 2.4519 2.5006 2.5006 3.7534 3.7534 3.7554 3.7554 4.0759 4.0759 4.0769 4.0769 11.2451 11.2453 k = 0.5000-0.2648-0.3055 ( 4076 PWs) bands (ev): -20.3230 -20.3230 -20.3229 -20.3229 -19.9649 -19.9649 -19.9648 -19.9648 -19.9240 -19.9240 -19.9236 -19.9236 -3.7373 -3.7373 -3.7364 -3.7364 -3.2562 -3.2562 -3.2559 -3.2559 -3.0192 -3.0192 -3.0169 -3.0169 -2.1655 -2.1655 -2.1603 -2.1603 -1.8843 -1.8843 -1.8626 -1.8626 -1.5921 -1.5921 -1.5785 -1.5785 -0.5532 -0.5532 -0.5441 -0.5441 -0.3722 -0.3722 -0.3611 -0.3611 -0.2658 -0.2658 -0.2648 -0.2648 2.2550 2.2550 2.2629 2.2629 2.3338 2.3338 2.3756 2.3756 2.4577 2.4577 2.5105 2.5105 3.7226 3.7226 3.7246 3.7246 4.1041 4.1041 4.1050 4.1050 11.2620 11.2623 k = 0.5000-0.2553-0.3192 ( 4070 PWs) bands (ev): -20.3217 -20.3217 -20.3216 -20.3216 -19.9664 -19.9664 -19.9664 -19.9664 -19.9239 -19.9239 -19.9235 -19.9235 -3.7518 -3.7518 -3.7508 -3.7508 -3.2582 -3.2582 -3.2579 -3.2579 -2.9961 -2.9961 -2.9936 -2.9936 -2.1801 -2.1801 -2.1754 -2.1754 -1.8813 -1.8813 -1.8597 -1.8597 -1.5656 -1.5656 -1.5520 -1.5520 -0.5679 -0.5679 -0.5581 -0.5581 -0.3744 -0.3744 -0.3620 -0.3620 -0.2701 -0.2701 -0.2693 -0.2693 2.2435 2.2435 2.2541 2.2541 2.3349 2.3349 2.3762 2.3762 2.4649 2.4649 2.5204 2.5204 3.6921 3.6921 3.6941 3.6941 4.1317 4.1317 4.1326 4.1326 11.2819 11.2826 k = 0.5000-0.2457-0.3329 ( 4066 PWs) bands (ev): -20.3202 -20.3202 -20.3201 -20.3201 -19.9681 -19.9681 -19.9681 -19.9681 -19.9238 -19.9238 -19.9233 -19.9233 -3.7673 -3.7673 -3.7662 -3.7662 -3.2600 -3.2600 -3.2596 -3.2596 -2.9713 -2.9713 -2.9686 -2.9686 -2.1957 -2.1957 -2.1916 -2.1916 -1.8764 -1.8764 -1.8552 -1.8552 -1.5376 -1.5376 -1.5243 -1.5243 -0.5842 -0.5842 -0.5739 -0.5739 -0.3776 -0.3776 -0.3638 -0.3638 -0.2748 -0.2748 -0.2742 -0.2742 2.2317 2.2317 2.2448 2.2448 2.3361 2.3361 2.3763 2.3763 2.4729 2.4729 2.5301 2.5301 3.6620 3.6620 3.6641 3.6641 4.1587 4.1587 4.1594 4.1594 11.3056 11.3062 k = 0.5000-0.2362-0.3467 ( 4068 PWs) bands (ev): -20.3186 -20.3186 -20.3184 -20.3184 -19.9700 -19.9700 -19.9700 -19.9700 -19.9237 -19.9237 -19.9231 -19.9231 -3.7835 -3.7835 -3.7824 -3.7824 -3.2616 -3.2616 -3.2610 -3.2610 -2.9452 -2.9452 -2.9423 -2.9423 -2.2120 -2.2120 -2.2087 -2.2087 -1.8696 -1.8696 -1.8491 -1.8491 -1.5084 -1.5084 -1.4955 -1.4955 -0.6020 -0.6020 -0.5913 -0.5913 -0.3818 -0.3818 -0.3668 -0.3668 -0.2796 -0.2796 -0.2793 -0.2793 2.2200 2.2200 2.2351 2.2351 2.3373 2.3373 2.3761 2.3761 2.4813 2.4813 2.5396 2.5396 3.6326 3.6326 3.6347 3.6347 4.1848 4.1848 4.1854 4.1854 11.3313 11.3321 k = 0.5000-0.2267-0.3604 ( 4062 PWs) bands (ev): -20.3168 -20.3168 -20.3166 -20.3166 -19.9721 -19.9721 -19.9721 -19.9721 -19.9235 -19.9235 -19.9229 -19.9229 -3.8002 -3.8002 -3.7990 -3.7990 -3.2628 -3.2628 -3.2622 -3.2622 -2.9181 -2.9181 -2.9150 -2.9150 -2.2288 -2.2288 -2.2263 -2.2263 -1.8611 -1.8611 -1.8414 -1.8414 -1.4783 -1.4783 -1.4661 -1.4661 -0.6210 -0.6210 -0.6101 -0.6101 -0.3872 -0.3872 -0.3711 -0.3711 -0.2845 -0.2845 -0.2845 -0.2845 2.2083 2.2083 2.2252 2.2252 2.3384 2.3384 2.3757 2.3757 2.4899 2.4899 2.5488 2.5488 3.6040 3.6040 3.6060 3.6060 4.2100 4.2100 4.2105 4.2105 11.3609 11.3620 k = 0.5000-0.2172-0.3741 ( 4068 PWs) bands (ev): -20.3148 -20.3148 -20.3147 -20.3147 -19.9744 -19.9744 -19.9744 -19.9744 -19.9234 -19.9234 -19.9228 -19.9228 -3.8170 -3.8170 -3.8159 -3.8159 -3.2639 -3.2639 -3.2632 -3.2632 -2.8902 -2.8902 -2.8870 -2.8870 -2.2457 -2.2457 -2.2441 -2.2441 -1.8510 -1.8510 -1.8322 -1.8322 -1.4478 -1.4478 -1.4362 -1.4362 -0.6411 -0.6411 -0.6302 -0.6302 -0.3940 -0.3940 -0.3769 -0.3769 -0.2896 -0.2896 -0.2892 -0.2892 2.1969 2.1969 2.2153 2.2153 2.3393 2.3393 2.3751 2.3751 2.4983 2.4983 2.5575 2.5575 3.5763 3.5763 3.5782 3.5782 4.2342 4.2342 4.2346 4.2346 11.3927 11.3929 k = 0.5000-0.2077-0.3879 ( 4072 PWs) bands (ev): -20.3128 -20.3128 -20.3126 -20.3126 -19.9768 -19.9768 -19.9767 -19.9767 -19.9232 -19.9232 -19.9226 -19.9226 -3.8339 -3.8339 -3.8327 -3.8327 -3.2647 -3.2647 -3.2639 -3.2639 -2.8618 -2.8618 -2.8584 -2.8584 -2.2626 -2.2626 -2.2618 -2.2618 -1.8394 -1.8394 -1.8215 -1.8215 -1.4168 -1.4168 -1.4060 -1.4060 -0.6623 -0.6623 -0.6515 -0.6515 -0.4022 -0.4022 -0.3842 -0.3842 -0.2944 -0.2944 -0.2939 -0.2939 2.1857 2.1857 2.2053 2.2053 2.3400 2.3400 2.3744 2.3744 2.5066 2.5066 2.5657 2.5657 3.5497 3.5497 3.5514 3.5514 4.2574 4.2574 4.2577 4.2577 11.4279 11.4290 k = 0.5000-0.1981-0.4016 ( 4072 PWs) bands (ev): -20.3106 -20.3106 -20.3104 -20.3104 -19.9793 -19.9793 -19.9792 -19.9792 -19.9231 -19.9231 -19.9224 -19.9224 -3.8506 -3.8506 -3.8494 -3.8494 -3.2653 -3.2653 -3.2645 -3.2645 -2.8331 -2.8331 -2.8296 -2.8296 -2.2793 -2.2793 -2.2792 -2.2792 -1.8265 -1.8265 -1.8094 -1.8094 -1.3858 -1.3858 -1.3757 -1.3757 -0.6845 -0.6845 -0.6738 -0.6738 -0.4119 -0.4119 -0.3933 -0.3933 -0.2989 -0.2989 -0.2983 -0.2983 2.1749 2.1749 2.1955 2.1955 2.3404 2.3404 2.3734 2.3734 2.5145 2.5145 2.5734 2.5734 3.5243 3.5243 3.5259 3.5259 4.2795 4.2795 4.2797 4.2797 11.4661 11.4669 k = 0.5000-0.1886-0.4153 ( 4070 PWs) bands (ev): -20.3083 -20.3083 -20.3082 -20.3082 -19.9819 -19.9819 -19.9818 -19.9818 -19.9229 -19.9229 -19.9221 -19.9221 -3.8670 -3.8670 -3.8658 -3.8658 -3.2658 -3.2658 -3.2649 -3.2649 -2.8043 -2.8043 -2.8008 -2.8008 -2.2963 -2.2963 -2.2955 -2.2955 -1.8123 -1.8123 -1.7960 -1.7960 -1.3548 -1.3548 -1.3457 -1.3457 -0.7073 -0.7073 -0.6969 -0.6969 -0.4230 -0.4230 -0.4039 -0.4039 -0.3031 -0.3031 -0.3025 -0.3025 2.1645 2.1645 2.1859 2.1859 2.3406 2.3406 2.3723 2.3723 2.5221 2.5221 2.5806 2.5806 3.5002 3.5002 3.5015 3.5015 4.3005 4.3005 4.3006 4.3006 11.5068 11.5068 k = 0.5000-0.1791-0.4291 ( 4068 PWs) bands (ev): -20.3060 -20.3060 -20.3058 -20.3058 -19.9846 -19.9846 -19.9845 -19.9845 -19.9227 -19.9227 -19.9219 -19.9219 -3.8829 -3.8829 -3.8818 -3.8818 -3.2662 -3.2662 -3.2652 -3.2652 -2.7757 -2.7757 -2.7721 -2.7721 -2.3127 -2.3127 -2.3113 -2.3113 -1.7968 -1.7968 -1.7813 -1.7813 -1.3241 -1.3241 -1.3159 -1.3159 -0.7307 -0.7307 -0.7208 -0.7208 -0.4355 -0.4355 -0.4160 -0.4160 -0.3070 -0.3070 -0.3064 -0.3064 2.1544 2.1544 2.1766 2.1766 2.3405 2.3405 2.3710 2.3710 2.5292 2.5292 2.5873 2.5873 3.4775 3.4775 3.4785 3.4785 4.3203 4.3203 4.3205 4.3205 11.5506 11.5524 k = 0.5000-0.1696-0.4428 ( 4072 PWs) bands (ev): -20.3037 -20.3037 -20.3035 -20.3035 -19.9873 -19.9873 -19.9872 -19.9872 -19.9225 -19.9225 -19.9217 -19.9217 -3.8983 -3.8983 -3.8971 -3.8971 -3.2665 -3.2665 -3.2654 -3.2654 -2.7475 -2.7475 -2.7438 -2.7438 -2.3285 -2.3285 -2.3264 -2.3264 -1.7802 -1.7802 -1.7654 -1.7654 -1.2940 -1.2940 -1.2868 -1.2868 -0.7545 -0.7545 -0.7451 -0.7451 -0.4494 -0.4494 -0.4296 -0.4296 -0.3107 -0.3107 -0.3102 -0.3102 2.1449 2.1449 2.1677 2.1677 2.3400 2.3400 2.3693 2.3693 2.5359 2.5359 2.5933 2.5933 3.4562 3.4562 3.4569 3.4569 4.3389 4.3389 4.3391 4.3391 11.5971 11.5973 k = 0.5000-0.1601-0.4565 ( 4078 PWs) bands (ev): -20.3013 -20.3013 -20.3011 -20.3011 -19.9901 -19.9901 -19.9899 -19.9899 -19.9223 -19.9223 -19.9215 -19.9215 -3.9129 -3.9129 -3.9118 -3.9118 -3.2667 -3.2667 -3.2656 -3.2656 -2.7198 -2.7198 -2.7161 -2.7161 -2.3435 -2.3435 -2.3407 -2.3407 -1.7625 -1.7625 -1.7483 -1.7483 -1.2646 -1.2646 -1.2587 -1.2587 -0.7783 -0.7783 -0.7697 -0.7697 -0.4644 -0.4644 -0.4445 -0.4445 -0.3141 -0.3141 -0.3139 -0.3139 2.1358 2.1358 2.1591 2.1591 2.3393 2.3393 2.3674 2.3674 2.5421 2.5421 2.5988 2.5988 3.4365 3.4365 3.4368 3.4368 4.3563 4.3563 4.3566 4.3566 11.6464 11.6464 k = 0.5000-0.1506-0.4703 ( 4078 PWs) bands (ev): -20.2989 -20.2989 -20.2987 -20.2987 -19.9928 -19.9928 -19.9927 -19.9927 -19.9220 -19.9220 -19.9212 -19.9212 -3.9269 -3.9269 -3.9258 -3.9258 -3.2668 -3.2668 -3.2657 -3.2657 -2.6929 -2.6929 -2.6892 -2.6892 -2.3576 -2.3576 -2.3543 -2.3543 -1.7437 -1.7437 -1.7301 -1.7301 -1.2364 -1.2364 -1.2319 -1.2319 -0.8019 -0.8019 -0.7941 -0.7941 -0.4806 -0.4806 -0.4606 -0.4606 -0.3174 -0.3174 -0.3174 -0.3174 2.1272 2.1272 2.1511 2.1511 2.3383 2.3383 2.3653 2.3653 2.5478 2.5478 2.6037 2.6037 3.4183 3.4183 3.4184 3.4184 4.3725 4.3725 4.3728 4.3728 11.6984 11.6984 k = 0.5000-0.1410-0.4840 ( 4082 PWs) bands (ev): -20.2966 -20.2966 -20.2964 -20.2964 -19.9955 -19.9955 -19.9954 -19.9954 -19.9218 -19.9218 -19.9210 -19.9210 -3.9399 -3.9399 -3.9389 -3.9389 -3.2669 -3.2669 -3.2657 -3.2657 -2.6670 -2.6670 -2.6632 -2.6632 -2.3708 -2.3708 -2.3669 -2.3669 -1.7239 -1.7239 -1.7108 -1.7108 -1.2098 -1.2098 -1.2068 -1.2068 -0.8246 -0.8246 -0.8181 -0.8181 -0.4978 -0.4978 -0.4777 -0.4777 -0.3209 -0.3209 -0.3207 -0.3207 2.1192 2.1192 2.1435 2.1435 2.3370 2.3370 2.3630 2.3630 2.5531 2.5531 2.6081 2.6081 3.4013 3.4013 3.4018 3.4018 4.3874 4.3874 4.3878 4.3878 11.7531 11.7553 k = 0.5000-0.1315-0.4978 ( 4082 PWs) bands (ev): -20.2943 -20.2943 -20.2941 -20.2941 -19.9982 -19.9982 -19.9980 -19.9980 -19.9216 -19.9216 -19.9207 -19.9207 -3.9521 -3.9521 -3.9511 -3.9511 -3.2669 -3.2669 -3.2657 -3.2657 -2.6423 -2.6423 -2.6385 -2.6385 -2.3830 -2.3830 -2.3785 -2.3785 -1.7031 -1.7031 -1.6904 -1.6904 -1.1854 -1.1854 -1.1843 -1.1843 -0.8459 -0.8459 -0.8409 -0.8409 -0.5158 -0.5158 -0.4957 -0.4957 -0.3243 -0.3243 -0.3238 -0.3238 2.1117 2.1117 2.1364 2.1364 2.3356 2.3356 2.3605 2.3605 2.5579 2.5579 2.6120 2.6120 3.3858 3.3858 3.3868 3.3868 4.4011 4.4011 4.4015 4.4015 11.8104 11.8112 k = 0.5000-0.1220-0.5115 ( 4082 PWs) bands (ev): -20.2922 -20.2922 -20.2920 -20.2920 -20.0007 -20.0007 -20.0005 -20.0005 -19.9214 -19.9214 -19.9205 -19.9205 -3.9633 -3.9633 -3.9623 -3.9623 -3.2670 -3.2670 -3.2657 -3.2657 -2.6189 -2.6189 -2.6152 -2.6152 -2.3940 -2.3940 -2.3890 -2.3890 -1.6812 -1.6812 -1.6691 -1.6691 -1.1652 -1.1652 -1.1640 -1.1640 -0.8649 -0.8649 -0.8618 -0.8618 -0.5347 -0.5347 -0.5145 -0.5145 -0.3277 -0.3277 -0.3269 -0.3269 2.1048 2.1048 2.1300 2.1300 2.3341 2.3341 2.3579 2.3579 2.5622 2.5622 2.6154 2.6154 3.3719 3.3719 3.3734 3.3734 4.4135 4.4135 4.4140 4.4140 11.8701 11.8701 k = 0.5000-0.1125-0.5252 ( 4072 PWs) bands (ev): -20.2901 -20.2901 -20.2899 -20.2899 -20.0031 -20.0031 -20.0029 -20.0029 -19.9211 -19.9211 -19.9203 -19.9203 -3.9735 -3.9735 -3.9726 -3.9726 -3.2670 -3.2670 -3.2656 -3.2656 -2.5973 -2.5973 -2.5936 -2.5936 -2.4038 -2.4038 -2.3983 -2.3983 -1.6584 -1.6584 -1.6467 -1.6467 -1.1508 -1.1508 -1.1468 -1.1468 -0.8805 -0.8805 -0.8797 -0.8797 -0.5541 -0.5541 -0.5339 -0.5339 -0.3311 -0.3311 -0.3300 -0.3300 2.0985 2.0985 2.1241 2.1241 2.3325 2.3325 2.3553 2.3553 2.5661 2.5661 2.6183 2.6183 3.3596 3.3596 3.3616 3.3616 4.4246 4.4246 4.4252 4.4252 11.9325 11.9351 k = 0.5000-0.1030-0.5390 ( 4064 PWs) bands (ev): -20.2882 -20.2882 -20.2880 -20.2880 -20.0054 -20.0054 -20.0051 -20.0051 -19.9209 -19.9209 -19.9200 -19.9200 -3.9827 -3.9827 -3.9817 -3.9817 -3.2670 -3.2670 -3.2656 -3.2656 -2.5774 -2.5774 -2.5738 -2.5738 -2.4124 -2.4124 -2.4064 -2.4064 -1.6348 -1.6348 -1.6234 -1.6234 -1.1422 -1.1422 -1.1353 -1.1353 -0.8930 -0.8930 -0.8913 -0.8913 -0.5739 -0.5739 -0.5537 -0.5537 -0.3344 -0.3344 -0.3331 -0.3331 2.0929 2.0929 2.1189 2.1189 2.3310 2.3310 2.3528 2.3528 2.5696 2.5696 2.6208 2.6208 3.3487 3.3487 3.3512 3.3512 4.4344 4.4344 4.4350 4.4350 11.9971 11.9971 k = 0.5000-0.0935-0.5527 ( 4068 PWs) bands (ev): -20.2865 -20.2865 -20.2863 -20.2863 -20.0074 -20.0074 -20.0071 -20.0071 -19.9207 -19.9207 -19.9198 -19.9198 -3.9907 -3.9907 -3.9898 -3.9898 -3.2670 -3.2670 -3.2656 -3.2656 -2.5598 -2.5598 -2.5562 -2.5562 -2.4196 -2.4196 -2.4131 -2.4131 -1.6103 -1.6103 -1.5994 -1.5994 -1.1406 -1.1406 -1.1308 -1.1308 -0.9007 -0.9007 -0.8965 -0.8965 -0.5939 -0.5939 -0.5736 -0.5736 -0.3377 -0.3377 -0.3362 -0.3362 2.0878 2.0878 2.1143 2.1143 2.3296 2.3296 2.3504 2.3504 2.5725 2.5725 2.6229 2.6229 3.3393 3.3393 3.3422 3.3422 4.4429 4.4429 4.4436 4.4436 12.0641 12.0641 k = 0.5000-0.0839-0.5664 ( 4068 PWs) bands (ev): -20.2851 -20.2851 -20.2848 -20.2848 -20.0092 -20.0092 -20.0089 -20.0089 -19.9204 -19.9204 -19.9195 -19.9195 -3.9977 -3.9977 -3.9967 -3.9967 -3.2671 -3.2671 -3.2657 -3.2657 -2.5445 -2.5445 -2.5410 -2.5410 -2.4252 -2.4252 -2.4182 -2.4182 -1.5851 -1.5851 -1.5746 -1.5746 -1.1459 -1.1459 -1.1338 -1.1338 -0.9024 -0.9024 -0.8963 -0.8963 -0.6138 -0.6138 -0.5934 -0.5934 -0.3409 -0.3409 -0.3392 -0.3392 2.0834 2.0834 2.1104 2.1104 2.3284 2.3284 2.3483 2.3483 2.5750 2.5750 2.6245 2.6245 3.3313 3.3313 3.3347 3.3347 4.4502 4.4502 4.4509 4.4509 12.1334 12.1348 k = 0.5000-0.0744-0.5802 ( 4072 PWs) bands (ev): -20.2838 -20.2838 -20.2836 -20.2836 -20.0108 -20.0108 -20.0104 -20.0104 -19.9202 -19.9202 -19.9193 -19.9193 -4.0034 -4.0034 -4.0025 -4.0025 -3.2672 -3.2672 -3.2658 -3.2658 -2.5317 -2.5317 -2.5284 -2.5284 -2.4293 -2.4293 -2.4218 -2.4218 -1.5593 -1.5593 -1.5493 -1.5493 -1.1572 -1.1572 -1.1434 -1.1434 -0.8991 -0.8991 -0.8918 -0.8918 -0.6330 -0.6330 -0.6127 -0.6127 -0.3441 -0.3441 -0.3421 -0.3421 2.0796 2.0796 2.1072 2.1072 2.3276 2.3276 2.3465 2.3465 2.5771 2.5771 2.6258 2.6258 3.3246 3.3246 3.3285 3.3285 4.4561 4.4561 4.4569 4.4569 12.2046 12.2071 k = 0.5000-0.0649-0.5939 ( 4070 PWs) bands (ev): -20.2828 -20.2828 -20.2826 -20.2826 -20.0121 -20.0121 -20.0117 -20.0117 -19.9200 -19.9200 -19.9191 -19.9191 -4.0080 -4.0080 -4.0071 -4.0071 -3.2674 -3.2674 -3.2659 -3.2659 -2.5218 -2.5218 -2.5185 -2.5185 -2.4317 -2.4317 -2.4238 -2.4238 -1.5332 -1.5332 -1.5237 -1.5237 -1.1729 -1.1729 -1.1579 -1.1579 -0.8929 -0.8929 -0.8850 -0.8850 -0.6510 -0.6510 -0.6307 -0.6307 -0.3472 -0.3472 -0.3450 -0.3450 2.0765 2.0765 2.1047 2.1047 2.3272 2.3272 2.3452 2.3452 2.5787 2.5787 2.6267 2.6267 3.3193 3.3193 3.3235 3.3235 4.4608 4.4608 4.4616 4.4616 12.2787 12.2801 k = 0.5000-0.0554-0.6076 ( 4066 PWs) bands (ev): -20.2821 -20.2821 -20.2819 -20.2819 -20.0131 -20.0131 -20.0126 -20.0126 -19.9198 -19.9198 -19.9189 -19.9189 -4.0113 -4.0113 -4.0104 -4.0104 -3.2676 -3.2676 -3.2661 -3.2661 -2.5146 -2.5146 -2.5114 -2.5114 -2.4325 -2.4325 -2.4243 -2.4243 -1.5070 -1.5070 -1.4983 -1.4983 -1.1912 -1.1912 -1.1754 -1.1754 -0.8863 -0.8863 -0.8782 -0.8782 -0.6667 -0.6667 -0.6465 -0.6465 -0.3502 -0.3502 -0.3478 -0.3478 2.0741 2.0741 2.1029 2.1029 2.3273 2.3273 2.3444 2.3444 2.5798 2.5798 2.6272 2.6272 3.3152 3.3152 3.3197 3.3197 4.4642 4.4642 4.4650 4.4650 12.3519 12.3543 k = 0.5000-0.0459-0.6214 ( 4068 PWs) bands (ev): -20.2817 -20.2817 -20.2816 -20.2816 -20.0137 -20.0137 -20.0133 -20.0133 -19.9196 -19.9196 -19.9187 -19.9187 -4.0135 -4.0135 -4.0125 -4.0125 -3.2678 -3.2678 -3.2663 -3.2663 -2.5099 -2.5099 -2.5067 -2.5067 -2.4321 -2.4321 -2.4235 -2.4235 -1.4815 -1.4815 -1.4738 -1.4738 -1.2106 -1.2106 -1.1938 -1.1938 -0.8819 -0.8819 -0.8734 -0.8734 -0.6789 -0.6789 -0.6592 -0.6592 -0.3531 -0.3531 -0.3506 -0.3506 2.0724 2.0724 2.1018 2.1018 2.3279 2.3279 2.3442 2.3442 2.5805 2.5805 2.6274 2.6274 3.3123 3.3123 3.3171 3.3171 4.4663 4.4663 4.4672 4.4672 12.4241 12.4242 k = 0.5000-0.0363-0.6351 ( 4066 PWs) bands (ev): -20.2817 -20.2817 -20.2815 -20.2815 -20.0140 -20.0140 -20.0136 -20.0136 -19.9194 -19.9194 -19.9185 -19.9185 -4.0143 -4.0143 -4.0134 -4.0134 -3.2681 -3.2681 -3.2666 -3.2666 -2.5075 -2.5075 -2.5043 -2.5043 -2.4307 -2.4307 -2.4219 -2.4219 -1.4576 -1.4576 -1.4513 -1.4513 -1.2292 -1.2292 -1.2112 -1.2112 -0.8819 -0.8819 -0.8726 -0.8726 -0.6862 -0.6862 -0.6673 -0.6673 -0.3559 -0.3559 -0.3532 -0.3532 2.0714 2.0714 2.1016 2.1016 2.3291 2.3291 2.3447 2.3447 2.5807 2.5807 2.6273 2.6273 3.3106 3.3106 3.3156 3.3156 4.4671 4.4671 4.4680 4.4680 12.4803 12.4806 k = 0.7599 0.1054-0.2571 ( 4066 PWs) bands (ev): -20.2817 -20.2817 -20.2815 -20.2815 -20.0140 -20.0140 -20.0135 -20.0135 -19.9194 -19.9194 -19.9185 -19.9185 -4.0143 -4.0143 -4.0134 -4.0134 -3.2681 -3.2681 -3.2666 -3.2666 -2.5075 -2.5075 -2.5043 -2.5043 -2.4307 -2.4307 -2.4219 -2.4219 -1.4576 -1.4576 -1.4513 -1.4513 -1.2292 -1.2292 -1.2112 -1.2112 -0.8819 -0.8819 -0.8726 -0.8726 -0.6862 -0.6862 -0.6673 -0.6673 -0.3559 -0.3559 -0.3532 -0.3532 2.0714 2.0714 2.1015 2.1015 2.3291 2.3291 2.3447 2.3447 2.5807 2.5807 2.6272 2.6272 3.3106 3.3106 3.3156 3.3156 4.4671 4.4671 4.4680 4.4680 12.4803 12.4807 k = 0.7518 0.1107-0.2431 ( 4058 PWs) bands (ev): -20.2819 -20.2819 -20.2817 -20.2817 -20.0139 -20.0139 -20.0134 -20.0134 -19.9192 -19.9192 -19.9183 -19.9183 -4.0138 -4.0138 -4.0129 -4.0129 -3.2685 -3.2685 -3.2670 -3.2670 -2.5070 -2.5070 -2.5037 -2.5037 -2.4288 -2.4288 -2.4198 -2.4198 -1.4368 -1.4368 -1.4324 -1.4324 -1.2451 -1.2451 -1.2254 -1.2254 -0.8876 -0.8876 -0.8772 -0.8772 -0.6878 -0.6878 -0.6702 -0.6702 -0.3586 -0.3586 -0.3557 -0.3557 2.0711 2.0711 2.1020 2.1020 2.3311 2.3311 2.3459 2.3459 2.5804 2.5804 2.6268 2.6268 3.3100 3.3100 3.3152 3.3152 4.4667 4.4667 4.4676 4.4676 12.4566 12.4567 k = 0.7437 0.1159-0.2292 ( 4058 PWs) bands (ev): -20.2825 -20.2825 -20.2823 -20.2823 -20.0135 -20.0135 -20.0130 -20.0130 -19.9191 -19.9191 -19.9182 -19.9182 -4.0121 -4.0121 -4.0111 -4.0111 -3.2689 -3.2689 -3.2674 -3.2674 -2.5083 -2.5083 -2.5049 -2.5049 -2.4265 -2.4265 -2.4173 -2.4173 -1.4225 -1.4225 -1.4202 -1.4202 -1.2548 -1.2548 -1.2330 -1.2330 -0.8991 -0.8991 -0.8874 -0.8874 -0.6838 -0.6838 -0.6676 -0.6676 -0.3611 -0.3611 -0.3580 -0.3580 2.0716 2.0716 2.1033 2.1033 2.3336 2.3336 2.3478 2.3478 2.5797 2.5797 2.6260 2.6260 3.3106 3.3106 3.3159 3.3159 4.4650 4.4650 4.4659 4.4659 12.3844 12.3845 k = 0.7355 0.1211-0.2153 ( 4054 PWs) bands (ev): -20.2834 -20.2834 -20.2832 -20.2832 -20.0128 -20.0128 -20.0123 -20.0123 -19.9189 -19.9189 -19.9180 -19.9180 -4.0090 -4.0090 -4.0080 -4.0080 -3.2694 -3.2694 -3.2678 -3.2678 -2.5112 -2.5112 -2.5079 -2.5079 -2.4240 -2.4240 -2.4145 -2.4145 -1.4179 -1.4179 -1.4173 -1.4173 -1.2550 -1.2550 -1.2316 -1.2316 -0.9153 -0.9153 -0.9023 -0.9023 -0.6754 -0.6754 -0.6606 -0.6606 -0.3634 -0.3634 -0.3602 -0.3602 2.0729 2.0729 2.1053 2.1053 2.3368 2.3368 2.3504 2.3504 2.5785 2.5785 2.6248 2.6248 3.3124 3.3124 3.3177 3.3177 4.4620 4.4620 4.4629 4.4629 12.3054 12.3056 k = 0.7274 0.1264-0.2013 ( 4056 PWs) bands (ev): -20.2846 -20.2846 -20.2844 -20.2844 -20.0117 -20.0117 -20.0111 -20.0111 -19.9188 -19.9188 -19.9179 -19.9179 -4.0046 -4.0046 -4.0036 -4.0036 -3.2700 -3.2700 -3.2683 -3.2683 -2.5162 -2.5162 -2.5128 -2.5128 -2.4209 -2.4209 -2.4112 -2.4112 -1.4241 -1.4241 -1.4239 -1.4239 -1.2449 -1.2449 -1.2208 -1.2208 -0.9348 -0.9348 -0.9206 -0.9206 -0.6639 -0.6639 -0.6502 -0.6502 -0.3655 -0.3655 -0.3622 -0.3622 2.0749 2.0749 2.1081 2.1081 2.3407 2.3407 2.3537 2.3537 2.5769 2.5769 2.6233 2.6233 3.3153 3.3153 3.3206 3.3206 4.4578 4.4578 4.4587 4.4587 12.2257 12.2260 k = 0.7193 0.1316-0.1874 ( 4054 PWs) bands (ev): -20.2861 -20.2861 -20.2859 -20.2859 -20.0102 -20.0102 -20.0097 -20.0097 -19.9186 -19.9186 -19.9178 -19.9178 -3.9988 -3.9988 -3.9978 -3.9978 -3.2706 -3.2706 -3.2689 -3.2689 -2.5232 -2.5232 -2.5198 -2.5198 -2.4171 -2.4171 -2.4072 -2.4072 -1.4382 -1.4382 -1.4380 -1.4380 -1.2277 -1.2277 -1.2035 -1.2035 -0.9559 -0.9559 -0.9406 -0.9406 -0.6506 -0.6506 -0.6378 -0.6378 -0.3674 -0.3674 -0.3640 -0.3640 2.0776 2.0776 2.1117 2.1117 2.3450 2.3450 2.3576 2.3576 2.5748 2.5748 2.6215 2.6215 3.3194 3.3194 3.3246 3.3246 4.4522 4.4522 4.4531 4.4531 12.1462 12.1466 k = 0.7112 0.1368-0.1734 ( 4050 PWs) bands (ev): -20.2879 -20.2879 -20.2877 -20.2877 -20.0085 -20.0085 -20.0079 -20.0079 -19.9186 -19.9186 -19.9177 -19.9177 -3.9917 -3.9917 -3.9906 -3.9906 -3.2712 -3.2712 -3.2696 -3.2696 -2.5326 -2.5326 -2.5292 -2.5292 -2.4122 -2.4122 -2.4021 -2.4021 -1.4570 -1.4570 -1.4568 -1.4568 -1.2073 -1.2073 -1.1835 -1.1835 -0.9768 -0.9768 -0.9608 -0.9608 -0.6361 -0.6361 -0.6241 -0.6241 -0.3691 -0.3691 -0.3656 -0.3656 2.0812 2.0812 2.1160 2.1160 2.3499 2.3499 2.3621 2.3621 2.5722 2.5722 2.6194 2.6194 3.3247 3.3247 3.3297 3.3297 4.4455 4.4455 4.4464 4.4464 12.0683 12.0686 k = 0.7031 0.1420-0.1595 ( 4056 PWs) bands (ev): -20.2899 -20.2899 -20.2898 -20.2898 -20.0064 -20.0064 -20.0059 -20.0059 -19.9185 -19.9185 -19.9177 -19.9177 -3.9832 -3.9832 -3.9822 -3.9822 -3.2719 -3.2719 -3.2703 -3.2703 -2.5445 -2.5445 -2.5411 -2.5411 -2.4061 -2.4061 -2.3958 -2.3958 -1.4785 -1.4785 -1.4781 -1.4781 -1.1876 -1.1876 -1.1648 -1.1648 -0.9948 -0.9948 -0.9790 -0.9790 -0.6212 -0.6212 -0.6096 -0.6096 -0.3705 -0.3705 -0.3670 -0.3670 2.0854 2.0854 2.1210 2.1210 2.3551 2.3551 2.3670 2.3670 2.5691 2.5691 2.6169 2.6169 3.3313 3.3313 3.3361 3.3361 4.4375 4.4375 4.4384 4.4384 11.9912 11.9918 k = 0.6949 0.1473-0.1456 ( 4056 PWs) bands (ev): -20.2922 -20.2922 -20.2920 -20.2920 -20.0041 -20.0041 -20.0036 -20.0036 -19.9184 -19.9184 -19.9177 -19.9177 -3.9734 -3.9734 -3.9723 -3.9723 -3.2727 -3.2727 -3.2710 -3.2710 -2.5589 -2.5589 -2.5554 -2.5554 -2.3987 -2.3987 -2.3882 -2.3882 -1.5012 -1.5012 -1.5008 -1.5008 -1.1727 -1.1727 -1.1527 -1.1527 -1.0057 -1.0057 -0.9920 -0.9920 -0.6061 -0.6061 -0.5949 -0.5949 -0.3716 -0.3716 -0.3681 -0.3681 2.0903 2.0903 2.1267 2.1267 2.3607 2.3607 2.3724 2.3724 2.5656 2.5656 2.6141 2.6141 3.3391 3.3391 3.3436 3.3436 4.4283 4.4283 4.4292 4.4292 11.9158 11.9159 k = 0.6868 0.1525-0.1316 ( 4054 PWs) bands (ev): -20.2946 -20.2946 -20.2945 -20.2945 -20.0016 -20.0016 -20.0011 -20.0011 -19.9184 -19.9184 -19.9177 -19.9177 -3.9623 -3.9623 -3.9612 -3.9612 -3.2735 -3.2735 -3.2718 -3.2718 -2.5758 -2.5758 -2.5722 -2.5722 -2.3899 -2.3899 -2.3793 -2.3793 -1.5245 -1.5245 -1.5240 -1.5240 -1.1671 -1.1671 -1.1526 -1.1526 -1.0046 -1.0046 -0.9960 -0.9960 -0.5911 -0.5911 -0.5801 -0.5801 -0.3725 -0.3725 -0.3690 -0.3690 2.0960 2.0960 2.1331 2.1331 2.3664 2.3664 2.3781 2.3781 2.5618 2.5618 2.6110 2.6110 3.3483 3.3483 3.3525 3.3525 4.4179 4.4179 4.4188 4.4188 11.8421 11.8426 k = 0.6787 0.1577-0.1177 ( 4058 PWs) bands (ev): -20.2972 -20.2972 -20.2971 -20.2971 -19.9989 -19.9989 -19.9983 -19.9983 -19.9185 -19.9185 -19.9177 -19.9177 -3.9499 -3.9499 -3.9487 -3.9487 -3.2743 -3.2743 -3.2726 -3.2726 -2.5949 -2.5949 -2.5913 -2.5913 -2.3797 -2.3797 -2.3690 -2.3690 -1.5479 -1.5479 -1.5473 -1.5473 -1.1732 -1.1732 -1.1654 -1.1654 -0.9911 -0.9911 -0.9888 -0.9888 -0.5764 -0.5764 -0.5654 -0.5654 -0.3731 -0.3731 -0.3696 -0.3696 2.1023 2.1023 2.1401 2.1401 2.3721 2.3721 2.3839 2.3839 2.5575 2.5575 2.6076 2.6076 3.3588 3.3588 3.3626 3.3626 4.4064 4.4064 4.4072 4.4072 11.7703 11.7707 k = 0.6706 0.1630-0.1037 ( 4046 PWs) bands (ev): -20.2999 -20.2999 -20.2998 -20.2998 -19.9959 -19.9959 -19.9954 -19.9954 -19.9185 -19.9185 -19.9178 -19.9178 -3.9361 -3.9361 -3.9349 -3.9349 -3.2750 -3.2750 -3.2734 -3.2734 -2.6163 -2.6163 -2.6126 -2.6126 -2.3682 -2.3682 -2.3574 -2.3574 -1.5710 -1.5710 -1.5705 -1.5705 -1.1894 -1.1894 -1.1870 -1.1870 -0.9723 -0.9723 -0.9694 -0.9694 -0.5619 -0.5619 -0.5510 -0.5510 -0.3734 -0.3734 -0.3700 -0.3700 2.1092 2.1092 2.1477 2.1477 2.3779 2.3779 2.3898 2.3898 2.5528 2.5528 2.6039 2.6039 3.3707 3.3707 3.3742 3.3742 4.3937 4.3937 4.3944 4.3944 11.7003 11.7008 k = 0.6624 0.1682-0.0898 ( 4044 PWs) bands (ev): -20.3028 -20.3028 -20.3027 -20.3027 -19.9929 -19.9929 -19.9923 -19.9923 -19.9186 -19.9186 -19.9179 -19.9179 -3.9211 -3.9211 -3.9198 -3.9198 -3.2759 -3.2759 -3.2742 -3.2742 -2.6397 -2.6397 -2.6360 -2.6360 -2.3554 -2.3554 -2.3445 -2.3445 -1.5937 -1.5937 -1.5934 -1.5934 -1.2135 -1.2135 -1.2122 -1.2122 -0.9501 -0.9501 -0.9437 -0.9437 -0.5478 -0.5478 -0.5368 -0.5368 -0.3735 -0.3735 -0.3702 -0.3702 2.1167 2.1167 2.1558 2.1558 2.3834 2.3834 2.3955 2.3955 2.5478 2.5478 2.5999 2.5999 3.3841 3.3841 3.3872 3.3872 4.3798 4.3798 4.3805 4.3805 11.6328 11.6331 k = 0.6543 0.1734-0.0759 ( 4038 PWs) bands (ev): -20.3057 -20.3057 -20.3056 -20.3056 -19.9897 -19.9897 -19.9892 -19.9892 -19.9187 -19.9187 -19.9181 -19.9181 -3.9048 -3.9048 -3.9034 -3.9034 -3.2767 -3.2767 -3.2750 -3.2750 -2.6649 -2.6649 -2.6612 -2.6612 -2.3413 -2.3413 -2.3304 -2.3304 -1.6160 -1.6160 -1.6157 -1.6157 -1.2427 -1.2427 -1.2390 -1.2390 -0.9251 -0.9251 -0.9163 -0.9163 -0.5340 -0.5340 -0.5229 -0.5229 -0.3732 -0.3732 -0.3701 -0.3701 2.1248 2.1248 2.1644 2.1644 2.3886 2.3886 2.4011 2.4011 2.5424 2.5424 2.5956 2.5956 3.3989 3.3989 3.4017 3.4017 4.3648 4.3648 4.3655 4.3655 11.5670 11.5677 k = 0.6462 0.1786-0.0619 ( 4042 PWs) bands (ev): -20.3086 -20.3086 -20.3085 -20.3085 -19.9864 -19.9864 -19.9859 -19.9859 -19.9189 -19.9189 -19.9183 -19.9183 -3.8873 -3.8873 -3.8859 -3.8859 -3.2775 -3.2775 -3.2758 -3.2758 -2.6918 -2.6918 -2.6881 -2.6881 -2.3261 -2.3261 -2.3151 -2.3151 -1.6375 -1.6375 -1.6373 -1.6373 -1.2735 -1.2735 -1.2682 -1.2682 -0.8989 -0.8989 -0.8886 -0.8886 -0.5206 -0.5206 -0.5094 -0.5094 -0.3726 -0.3726 -0.3697 -0.3697 2.1333 2.1333 2.1735 2.1735 2.3935 2.3935 2.4063 2.4063 2.5368 2.5368 2.5910 2.5910 3.4152 3.4152 3.4177 3.4177 4.3486 4.3486 4.3493 4.3493 11.5039 11.5045 k = 0.6381 0.1839-0.0480 ( 4036 PWs) bands (ev): -20.3115 -20.3115 -20.3114 -20.3114 -19.9831 -19.9831 -19.9826 -19.9826 -19.9191 -19.9191 -19.9186 -19.9186 -3.8685 -3.8685 -3.8671 -3.8671 -3.2783 -3.2783 -3.2766 -3.2766 -2.7202 -2.7202 -2.7166 -2.7166 -2.3098 -2.3098 -2.2986 -2.2986 -1.6584 -1.6584 -1.6582 -1.6582 -1.3054 -1.3054 -1.2989 -1.2989 -0.8726 -0.8726 -0.8612 -0.8612 -0.5076 -0.5076 -0.4961 -0.4961 -0.3718 -0.3718 -0.3691 -0.3691 2.1424 2.1424 2.1830 2.1830 2.3979 2.3979 2.4112 2.4112 2.5309 2.5309 2.5861 2.5861 3.4330 3.4330 3.4351 3.4351 4.3314 4.3314 4.3320 4.3320 11.4430 11.4433 k = 0.6300 0.1891-0.0340 ( 4034 PWs) bands (ev): -20.3145 -20.3145 -20.3144 -20.3144 -19.9797 -19.9797 -19.9793 -19.9793 -19.9194 -19.9194 -19.9189 -19.9189 -3.8487 -3.8487 -3.8471 -3.8471 -3.2790 -3.2790 -3.2774 -3.2774 -2.7500 -2.7500 -2.7464 -2.7464 -2.2923 -2.2923 -2.2811 -2.2811 -1.6784 -1.6784 -1.6782 -1.6782 -1.3379 -1.3379 -1.3306 -1.3306 -0.8468 -0.8468 -0.8347 -0.8347 -0.4949 -0.4949 -0.4833 -0.4833 -0.3707 -0.3707 -0.3683 -0.3683 2.1518 2.1518 2.1928 2.1928 2.4018 2.4018 2.4155 2.4155 2.5248 2.5248 2.5808 2.5808 3.4523 3.4523 3.4541 3.4541 4.3131 4.3131 4.3137 4.3137 11.3851 11.3855 k = 0.6218 0.1943-0.0201 ( 4034 PWs) bands (ev): -20.3173 -20.3173 -20.3172 -20.3172 -19.9764 -19.9764 -19.9759 -19.9759 -19.9198 -19.9198 -19.9192 -19.9192 -3.8277 -3.8277 -3.8261 -3.8261 -3.2797 -3.2797 -3.2781 -3.2781 -2.7809 -2.7809 -2.7774 -2.7774 -2.2738 -2.2738 -2.2626 -2.2626 -1.6976 -1.6976 -1.6973 -1.6973 -1.3709 -1.3709 -1.3630 -1.3630 -0.8219 -0.8219 -0.8094 -0.8094 -0.4824 -0.4824 -0.4707 -0.4707 -0.3693 -0.3693 -0.3672 -0.3672 2.1617 2.1617 2.2029 2.2029 2.4051 2.4051 2.4192 2.4192 2.5185 2.5185 2.5753 2.5753 3.4730 3.4730 3.4745 3.4745 4.2937 4.2937 4.2943 4.2943 11.3299 11.3303 k = 0.6137 0.1996-0.0062 ( 4034 PWs) bands (ev): -20.3201 -20.3201 -20.3200 -20.3200 -19.9730 -19.9730 -19.9726 -19.9726 -19.9202 -19.9202 -19.9197 -19.9197 -3.8056 -3.8056 -3.8040 -3.8040 -3.2803 -3.2803 -3.2787 -3.2787 -2.8129 -2.8129 -2.8094 -2.8094 -2.2544 -2.2544 -2.2430 -2.2430 -1.7159 -1.7159 -1.7154 -1.7154 -1.4042 -1.4042 -1.3958 -1.3958 -0.7983 -0.7983 -0.7856 -0.7856 -0.4703 -0.4703 -0.4585 -0.4585 -0.3677 -0.3677 -0.3659 -0.3659 2.1718 2.1718 2.2132 2.2132 2.4079 2.4079 2.4223 2.4223 2.5122 2.5122 2.5695 2.5695 3.4952 3.4952 3.4964 3.4964 4.2733 4.2733 4.2738 4.2738 11.2772 11.2775 k = 0.6056 0.2048 0.0078 ( 4030 PWs) bands (ev): -20.3228 -20.3228 -20.3227 -20.3227 -19.9697 -19.9697 -19.9693 -19.9693 -19.9206 -19.9206 -19.9202 -19.9202 -3.7826 -3.7826 -3.7809 -3.7809 -3.2809 -3.2809 -3.2793 -3.2793 -2.8457 -2.8457 -2.8423 -2.8423 -2.2340 -2.2340 -2.2226 -2.2226 -1.7331 -1.7331 -1.7325 -1.7325 -1.4376 -1.4376 -1.4289 -1.4289 -0.7762 -0.7762 -0.7635 -0.7635 -0.4583 -0.4583 -0.4466 -0.4466 -0.3658 -0.3658 -0.3644 -0.3644 2.1822 2.1822 2.2237 2.2237 2.4101 2.4101 2.4247 2.4247 2.5058 2.5058 2.5633 2.5633 3.5187 3.5187 3.5197 3.5197 4.2519 4.2519 4.2524 4.2524 11.2276 11.2283 k = 0.5975 0.2100 0.0217 ( 4032 PWs) bands (ev): -20.3254 -20.3254 -20.3253 -20.3253 -19.9664 -19.9664 -19.9660 -19.9660 -19.9212 -19.9212 -19.9207 -19.9207 -3.7586 -3.7586 -3.7568 -3.7568 -3.2813 -3.2813 -3.2798 -3.2798 -2.8792 -2.8792 -2.8759 -2.8759 -2.2127 -2.2127 -2.2012 -2.2012 -1.7492 -1.7492 -1.7485 -1.7485 -1.4711 -1.4711 -1.4621 -1.4621 -0.7557 -0.7557 -0.7433 -0.7433 -0.4467 -0.4467 -0.4350 -0.4350 -0.3638 -0.3638 -0.3628 -0.3628 2.1928 2.1928 2.2342 2.2342 2.4118 2.4118 2.4264 2.4264 2.4994 2.4994 2.5569 2.5569 3.5434 3.5434 3.5442 3.5442 4.2295 4.2295 4.2299 4.2299 11.1815 11.1820 k = 0.5893 0.2153 0.0357 ( 4034 PWs) bands (ev): -20.3279 -20.3279 -20.3278 -20.3278 -19.9632 -19.9632 -19.9628 -19.9628 -19.9218 -19.9218 -19.9214 -19.9214 -3.7338 -3.7338 -3.7320 -3.7320 -3.2817 -3.2817 -3.2802 -3.2802 -2.9133 -2.9133 -2.9101 -2.9101 -2.1906 -2.1906 -2.1791 -2.1791 -1.7642 -1.7642 -1.7633 -1.7633 -1.5045 -1.5045 -1.4953 -1.4953 -0.7370 -0.7370 -0.7250 -0.7250 -0.4353 -0.4353 -0.4239 -0.4239 -0.3617 -0.3617 -0.3610 -0.3610 2.2036 2.2036 2.2447 2.2447 2.4130 2.4130 2.4273 2.4273 2.4933 2.4933 2.5502 2.5502 3.5693 3.5693 3.5699 3.5699 4.2062 4.2062 4.2065 4.2065 11.1385 11.1388 k = 0.5812 0.2205 0.0496 ( 4048 PWs) bands (ev): -20.3302 -20.3302 -20.3301 -20.3301 -19.9601 -19.9601 -19.9597 -19.9597 -19.9225 -19.9225 -19.9221 -19.9221 -3.7084 -3.7084 -3.7065 -3.7065 -3.2819 -3.2819 -3.2804 -3.2804 -2.9476 -2.9476 -2.9445 -2.9445 -2.1678 -2.1678 -2.1562 -2.1562 -1.7781 -1.7781 -1.7770 -1.7770 -1.5377 -1.5377 -1.5284 -1.5284 -0.7201 -0.7201 -0.7087 -0.7087 -0.4243 -0.4243 -0.4134 -0.4134 -0.3594 -0.3594 -0.3591 -0.3591 2.2145 2.2145 2.2550 2.2550 2.4137 2.4137 2.4275 2.4275 2.4874 2.4874 2.5431 2.5431 3.5963 3.5963 3.5967 3.5967 4.1818 4.1818 4.1822 4.1822 11.0984 11.0986 k = 0.5731 0.2257 0.0636 ( 4046 PWs) bands (ev): -20.3323 -20.3323 -20.3322 -20.3322 -19.9570 -19.9570 -19.9567 -19.9567 -19.9232 -19.9232 -19.9229 -19.9229 -3.6823 -3.6823 -3.6804 -3.6804 -3.2818 -3.2818 -3.2804 -3.2804 -2.9820 -2.9820 -2.9791 -2.9791 -2.1443 -2.1443 -2.1327 -2.1327 -1.7907 -1.7907 -1.7894 -1.7894 -1.5707 -1.5707 -1.5614 -1.5614 -0.7050 -0.7050 -0.6944 -0.6944 -0.4138 -0.4138 -0.4034 -0.4034 -0.3571 -0.3571 -0.3570 -0.3570 2.2254 2.2254 2.2651 2.2651 2.4141 2.4141 2.4269 2.4269 2.4820 2.4820 2.5359 2.5359 3.6242 3.6242 3.6246 3.6246 4.1567 4.1567 4.1569 4.1569 11.0622 11.0624 k = 0.5650 0.2309 0.0775 ( 4048 PWs) bands (ev): -20.3342 -20.3342 -20.3341 -20.3341 -19.9541 -19.9541 -19.9538 -19.9538 -19.9241 -19.9241 -19.9238 -19.9238 -3.6560 -3.6560 -3.6540 -3.6540 -3.2816 -3.2816 -3.2802 -3.2802 -3.0164 -3.0164 -3.0136 -3.0136 -2.1203 -2.1203 -2.1087 -2.1087 -1.8020 -1.8020 -1.8006 -1.8006 -1.6034 -1.6034 -1.5941 -1.5941 -0.6917 -0.6917 -0.6821 -0.6821 -0.4039 -0.4039 -0.3942 -0.3942 -0.3549 -0.3549 -0.3547 -0.3547 2.2362 2.2362 2.2747 2.2747 2.4141 2.4141 2.4255 2.4255 2.4773 2.4773 2.5286 2.5286 3.6530 3.6530 3.6532 3.6532 4.1306 4.1306 4.1309 4.1309 11.0296 11.0298 k = 0.5569 0.2362 0.0914 ( 4042 PWs) bands (ev): -20.3359 -20.3359 -20.3359 -20.3359 -19.9513 -19.9513 -19.9510 -19.9510 -19.9250 -19.9250 -19.9248 -19.9248 -3.6295 -3.6295 -3.6275 -3.6275 -3.2810 -3.2810 -3.2796 -3.2796 -3.0503 -3.0503 -3.0478 -3.0478 -2.0958 -2.0958 -2.0843 -2.0843 -1.8119 -1.8119 -1.8103 -1.8103 -1.6355 -1.6355 -1.6263 -1.6263 -0.6802 -0.6802 -0.6716 -0.6716 -0.3948 -0.3948 -0.3860 -0.3860 -0.3527 -0.3527 -0.3522 -0.3522 2.2468 2.2468 2.2837 2.2837 2.4138 2.4138 2.4235 2.4235 2.4734 2.4734 2.5211 2.5211 3.6825 3.6825 3.6827 3.6827 4.1038 4.1038 4.1040 4.1040 11.0002 11.0005 k = 0.5487 0.2414 0.1054 ( 4038 PWs) bands (ev): -20.3375 -20.3375 -20.3374 -20.3374 -19.9486 -19.9486 -19.9483 -19.9483 -19.9261 -19.9261 -19.9259 -19.9259 -3.6034 -3.6034 -3.6014 -3.6014 -3.2798 -3.2798 -3.2785 -3.2785 -3.0836 -3.0836 -3.0813 -3.0813 -2.0711 -2.0711 -2.0597 -2.0597 -1.8204 -1.8204 -1.8185 -1.8185 -1.6670 -1.6670 -1.6580 -1.6580 -0.6704 -0.6704 -0.6628 -0.6628 -0.3867 -0.3867 -0.3789 -0.3789 -0.3503 -0.3503 -0.3498 -0.3498 2.2572 2.2572 2.2918 2.2918 2.4133 2.4133 2.4209 2.4209 2.4704 2.4704 2.5136 2.5136 3.7126 3.7126 3.7127 3.7127 4.0763 4.0763 4.0764 4.0764 10.9747 10.9749 k = 0.5406 0.2466 0.1193 ( 4042 PWs) bands (ev): -20.3388 -20.3388 -20.3387 -20.3387 -19.9460 -19.9460 -19.9458 -19.9458 -19.9272 -19.9272 -19.9271 -19.9271 -3.5781 -3.5781 -3.5762 -3.5762 -3.2781 -3.2781 -3.2768 -3.2768 -3.1159 -3.1159 -3.1138 -3.1138 -2.0465 -2.0465 -2.0354 -2.0354 -1.8273 -1.8273 -1.8251 -1.8251 -1.6976 -1.6976 -1.6890 -1.6890 -0.6621 -0.6621 -0.6558 -0.6558 -0.3797 -0.3797 -0.3731 -0.3731 -0.3479 -0.3479 -0.3474 -0.3474 2.2672 2.2672 2.2986 2.2986 2.4126 2.4126 2.4180 2.4180 2.4685 2.4685 2.5061 2.5061 3.7431 3.7431 3.7432 3.7432 4.0480 4.0480 4.0481 4.0481 10.9530 10.9534 k = 0.5325 0.2519 0.1333 ( 4042 PWs) bands (ev): -20.3398 -20.3398 -20.3398 -20.3398 -19.9436 -19.9436 -19.9434 -19.9434 -19.9285 -19.9285 -19.9284 -19.9284 -3.5544 -3.5544 -3.5526 -3.5526 -3.2752 -3.2752 -3.2741 -3.2741 -3.1466 -3.1466 -3.1448 -3.1448 -2.0225 -2.0225 -2.0118 -2.0118 -1.8323 -1.8323 -1.8300 -1.8300 -1.7269 -1.7269 -1.7189 -1.7189 -0.6554 -0.6554 -0.6503 -0.6503 -0.3739 -0.3739 -0.3686 -0.3686 -0.3454 -0.3454 -0.3450 -0.3450 2.2767 2.2767 2.3040 2.3040 2.4117 2.4117 2.4151 2.4151 2.4677 2.4677 2.4989 2.4989 3.7740 3.7740 3.7740 3.7740 4.0190 4.0190 4.0191 4.0191 10.9352 10.9355 k = 0.5244 0.2571 0.1472 ( 4038 PWs) bands (ev): -20.3407 -20.3407 -20.3407 -20.3407 -19.9413 -19.9413 -19.9412 -19.9412 -19.9298 -19.9298 -19.9297 -19.9297 -3.5333 -3.5333 -3.5317 -3.5317 -3.2709 -3.2709 -3.2698 -3.2698 -3.1751 -3.1751 -3.1737 -3.1737 -1.9997 -1.9997 -1.9901 -1.9901 -1.8350 -1.8350 -1.8326 -1.8326 -1.7543 -1.7543 -1.7472 -1.7472 -0.6501 -0.6501 -0.6463 -0.6463 -0.3694 -0.3694 -0.3655 -0.3655 -0.3431 -0.3431 -0.3429 -0.3429 2.2855 2.2855 2.3075 2.3075 2.4108 2.4108 2.4126 2.4126 2.4680 2.4680 2.4921 2.4921 3.8050 3.8050 3.8051 3.8051 3.9895 3.9895 3.9896 3.9896 10.9214 10.9215 k = 0.5162 0.2623 0.1611 ( 4036 PWs) bands (ev): -20.3413 -20.3413 -20.3413 -20.3413 -19.9392 -19.9392 -19.9391 -19.9391 -19.9313 -19.9313 -19.9312 -19.9312 -3.5162 -3.5162 -3.5150 -3.5150 -3.2642 -3.2642 -3.2634 -3.2634 -3.2008 -3.2008 -3.1998 -3.1998 -1.9797 -1.9797 -1.9720 -1.9720 -1.8345 -1.8345 -1.8325 -1.8325 -1.7789 -1.7789 -1.7732 -1.7732 -0.6462 -0.6462 -0.6437 -0.6437 -0.3662 -0.3662 -0.3636 -0.3636 -0.3413 -0.3413 -0.3412 -0.3412 2.2933 2.2933 2.3089 2.3089 2.4099 2.4099 2.4110 2.4110 2.4694 2.4694 2.4859 2.4859 3.8362 3.8362 3.8362 3.8362 3.9595 3.9595 3.9596 3.9596 10.9114 10.9115 k = 0.5081 0.2675 0.1751 ( 4032 PWs) bands (ev): -20.3417 -20.3417 -20.3416 -20.3416 -19.9374 -19.9374 -19.9373 -19.9373 -19.9327 -19.9327 -19.9326 -19.9326 -3.5048 -3.5048 -3.5042 -3.5042 -3.2545 -3.2545 -3.2540 -3.2540 -3.2227 -3.2227 -3.2223 -3.2223 -1.9647 -1.9647 -1.9601 -1.9601 -1.8300 -1.8300 -1.8291 -1.8291 -1.7989 -1.7989 -1.7953 -1.7953 -0.6437 -0.6437 -0.6424 -0.6424 -0.3640 -0.3640 -0.3628 -0.3628 -0.3401 -0.3401 -0.3401 -0.3401 2.2999 2.2999 2.3080 2.3080 2.4090 2.4090 2.4101 2.4101 2.4720 2.4720 2.4803 2.4803 3.8673 3.8673 3.8674 3.8674 3.9291 3.9291 3.9292 3.9292 10.9055 10.9055 k = 0.5000 0.2728 0.1890 ( 4026 PWs) bands (ev): -20.3418 -20.3418 -20.3418 -20.3418 -19.9363 -19.9363 -19.9363 -19.9363 -19.9335 -19.9335 -19.9335 -19.9335 -3.5006 -3.5006 -3.5006 -3.5006 -3.2420 -3.2420 -3.2418 -3.2418 -3.2393 -3.2393 -3.2391 -3.2391 -1.9575 -1.9575 -1.9574 -1.9574 -1.8248 -1.8248 -1.8246 -1.8246 -1.8081 -1.8081 -1.8079 -1.8079 -0.6424 -0.6424 -0.6424 -0.6424 -0.3629 -0.3629 -0.3629 -0.3629 -0.3397 -0.3397 -0.3396 -0.3396 2.3044 2.3044 2.3054 2.3054 2.4087 2.4087 2.4098 2.4098 2.4751 2.4751 2.4762 2.4762 3.8972 3.8972 3.8982 3.8982 3.8986 3.8986 3.8995 3.8995 10.9035 10.9035 k = 0.5000 0.2728 0.1890 ( 4026 PWs) bands (ev): -20.3418 -20.3418 -20.3418 -20.3418 -19.9363 -19.9363 -19.9363 -19.9363 -19.9335 -19.9335 -19.9335 -19.9335 -3.5006 -3.5006 -3.5006 -3.5006 -3.2420 -3.2420 -3.2418 -3.2418 -3.2393 -3.2393 -3.2391 -3.2391 -1.9575 -1.9575 -1.9574 -1.9574 -1.8248 -1.8248 -1.8246 -1.8246 -1.8081 -1.8081 -1.8079 -1.8079 -0.6424 -0.6424 -0.6424 -0.6424 -0.3629 -0.3629 -0.3629 -0.3629 -0.3397 -0.3397 -0.3396 -0.3396 2.3044 2.3044 2.3054 2.3054 2.4087 2.4087 2.4098 2.4098 2.4751 2.4751 2.4762 2.4762 3.8972 3.8972 3.8982 3.8982 3.8986 3.8986 3.8995 3.8995 10.9035 10.9035 k = 0.4861 0.2652 0.1838 ( 4032 PWs) bands (ev): -20.3579 -20.3579 -20.3256 -20.3256 -19.9364 -19.9364 -19.9363 -19.9363 -19.9337 -19.9337 -19.9334 -19.9334 -3.5378 -3.5378 -3.4637 -3.4637 -3.2571 -3.2571 -3.2546 -3.2546 -3.2268 -3.2268 -3.2239 -3.2239 -2.0045 -2.0045 -1.9092 -1.9092 -1.8691 -1.8691 -1.8519 -1.8519 -1.7797 -1.7797 -1.7633 -1.7633 -0.6526 -0.6526 -0.6325 -0.6325 -0.3724 -0.3724 -0.3532 -0.3532 -0.3490 -0.3490 -0.3300 -0.3300 2.2851 2.2851 2.3239 2.3239 2.3901 2.3901 2.4275 2.4275 2.4569 2.4569 2.4941 2.4941 3.8512 3.8512 3.8525 3.8525 3.9445 3.9445 3.9459 3.9459 10.7928 10.7928 k = 0.4722 0.2576 0.1785 ( 4032 PWs) bands (ev): -20.3740 -20.3740 -20.3093 -20.3093 -19.9364 -19.9364 -19.9362 -19.9362 -19.9338 -19.9338 -19.9332 -19.9332 -3.5751 -3.5751 -3.4272 -3.4272 -3.2723 -3.2723 -3.2700 -3.2700 -3.2117 -3.2117 -3.2086 -3.2086 -2.0502 -2.0502 -1.9126 -1.9126 -1.8962 -1.8962 -1.8584 -1.8584 -1.7341 -1.7341 -1.7179 -1.7179 -0.6632 -0.6632 -0.6229 -0.6229 -0.3815 -0.3815 -0.3581 -0.3581 -0.3433 -0.3433 -0.3202 -0.3202 2.2648 2.2648 2.3414 2.3414 2.3702 2.3702 2.4386 2.4386 2.4448 2.4448 2.5119 2.5119 3.8052 3.8052 3.8064 3.8064 3.9916 3.9916 3.9930 3.9930 10.6829 10.6829 k = 0.4583 0.2500 0.1733 ( 4045 PWs) bands (ev): -20.3900 -20.3900 -20.2931 -20.2931 -19.9365 -19.9365 -19.9362 -19.9362 -19.9340 -19.9340 -19.9330 -19.9330 -3.6127 -3.6127 -3.3912 -3.3912 -3.2875 -3.2875 -3.2855 -3.2855 -3.1968 -3.1968 -3.1935 -3.1935 -2.0943 -2.0943 -1.9555 -1.9555 -1.9385 -1.9385 -1.8077 -1.8077 -1.6880 -1.6880 -1.6719 -1.6719 -0.6741 -0.6741 -0.6138 -0.6138 -0.3902 -0.3902 -0.3667 -0.3667 -0.3333 -0.3333 -0.3102 -0.3102 2.2442 2.2442 2.3494 2.3494 2.3554 2.3554 2.4229 2.4229 2.4610 2.4610 2.5290 2.5290 3.7598 3.7598 3.7609 3.7609 4.0387 4.0387 4.0402 4.0402 10.5740 10.5740 k = 0.4444 0.2425 0.1680 ( 4045 PWs) bands (ev): -20.4058 -20.4058 -20.2769 -20.2769 -19.9365 -19.9365 -19.9361 -19.9361 -19.9341 -19.9341 -19.9329 -19.9329 -3.6504 -3.6504 -3.3555 -3.3555 -3.3026 -3.3026 -3.3008 -3.3008 -3.1821 -3.1821 -3.1785 -3.1785 -2.1369 -2.1369 -1.9974 -1.9974 -1.9802 -1.9802 -1.7555 -1.7555 -1.6414 -1.6414 -1.6255 -1.6255 -0.6852 -0.6852 -0.6051 -0.6051 -0.3984 -0.3984 -0.3749 -0.3749 -0.3232 -0.3232 -0.3001 -0.3001 2.2233 2.2233 2.3280 2.3280 2.3599 2.3599 2.4157 2.4157 2.4761 2.4761 2.5451 2.5451 3.7151 3.7151 3.7163 3.7163 4.0858 4.0858 4.0874 4.0874 10.4661 10.4661 k = 0.4306 0.2349 0.1628 ( 4039 PWs) bands (ev): -20.4215 -20.4215 -20.2607 -20.2607 -19.9365 -19.9365 -19.9360 -19.9360 -19.9342 -19.9342 -19.9327 -19.9327 -3.6880 -3.6880 -3.3220 -3.3220 -3.3160 -3.3160 -3.3160 -3.3160 -3.1675 -3.1675 -3.1637 -3.1637 -2.1779 -2.1779 -2.0385 -2.0385 -2.0211 -2.0211 -1.7023 -1.7023 -1.5943 -1.5943 -1.5787 -1.5787 -0.6965 -0.6965 -0.5968 -0.5968 -0.4061 -0.4061 -0.3826 -0.3826 -0.3130 -0.3130 -0.2901 -0.2901 2.2022 2.2022 2.3060 2.3060 2.3501 2.3501 2.4219 2.4219 2.4900 2.4900 2.5602 2.5602 3.6714 3.6714 3.6725 3.6725 4.1328 4.1328 4.1345 4.1345 10.3595 10.3595 k = 0.4167 0.2273 0.1575 ( 4042 PWs) bands (ev): -20.4369 -20.4369 -20.2447 -20.2447 -19.9365 -19.9365 -19.9360 -19.9360 -19.9344 -19.9344 -19.9325 -19.9325 -3.7257 -3.7257 -3.3329 -3.3329 -3.3312 -3.3312 -3.2854 -3.2854 -3.1531 -3.1531 -3.1492 -3.1492 -2.2173 -2.2173 -2.0787 -2.0787 -2.0610 -2.0610 -1.6480 -1.6480 -1.5469 -1.5469 -1.5315 -1.5315 -0.7081 -0.7081 -0.5889 -0.5889 -0.4133 -0.4133 -0.3898 -0.3898 -0.3030 -0.3030 -0.2801 -0.2801 2.1809 2.1809 2.2834 2.2834 2.3319 2.3319 2.4356 2.4356 2.5026 2.5026 2.5741 2.5741 3.6288 3.6288 3.6299 3.6299 4.1795 4.1795 4.1812 4.1812 10.2541 10.2541 k = 0.4028 0.2197 0.1523 ( 4060 PWs) bands (ev): -20.4522 -20.4522 -20.2288 -20.2288 -19.9366 -19.9366 -19.9359 -19.9359 -19.9345 -19.9345 -19.9323 -19.9323 -3.7632 -3.7632 -3.3477 -3.3477 -3.3461 -3.3461 -3.2514 -3.2514 -3.1391 -3.1391 -3.1349 -3.1349 -2.2552 -2.2552 -2.1179 -2.1179 -2.1000 -2.1000 -1.5930 -1.5930 -1.4993 -1.4993 -1.4840 -1.4840 -0.7197 -0.7197 -0.5815 -0.5815 -0.4198 -0.4198 -0.3963 -0.3963 -0.2930 -0.2930 -0.2702 -0.2702 2.1594 2.1594 2.2603 2.2603 2.3105 2.3105 2.4515 2.4515 2.5138 2.5138 2.5867 2.5867 3.5874 3.5874 3.5885 3.5885 4.2258 4.2258 4.2277 4.2277 10.1502 10.1502 k = 0.3889 0.2122 0.1470 ( 4060 PWs) bands (ev): -20.4672 -20.4672 -20.2131 -20.2131 -19.9366 -19.9366 -19.9358 -19.9358 -19.9346 -19.9346 -19.9322 -19.9322 -3.8005 -3.8005 -3.3622 -3.3622 -3.3609 -3.3609 -3.2179 -3.2179 -3.1253 -3.1253 -3.1209 -3.1209 -2.2913 -2.2913 -2.1560 -2.1560 -2.1380 -2.1380 -1.5372 -1.5372 -1.4515 -1.4515 -1.4364 -1.4364 -0.7315 -0.7315 -0.5745 -0.5745 -0.4257 -0.4257 -0.4021 -0.4021 -0.2832 -0.2832 -0.2605 -0.2605 2.1379 2.1379 2.2367 2.2367 2.2877 2.2877 2.4679 2.4679 2.5234 2.5234 2.5979 2.5979 3.5475 3.5475 3.5486 3.5486 4.2717 4.2717 4.2737 4.2737 10.0479 10.0479 k = 0.3750 0.2046 0.1418 ( 4054 PWs) bands (ev): -20.4818 -20.4818 -20.1976 -20.1976 -19.9366 -19.9366 -19.9357 -19.9357 -19.9347 -19.9347 -19.9320 -19.9320 -3.8375 -3.8375 -3.3766 -3.3766 -3.3755 -3.3755 -3.1851 -3.1851 -3.1119 -3.1119 -3.1073 -3.1073 -2.3259 -2.3259 -2.1931 -2.1931 -2.1749 -2.1749 -1.4810 -1.4810 -1.4036 -1.4036 -1.3886 -1.3886 -0.7434 -0.7434 -0.5680 -0.5680 -0.4308 -0.4308 -0.4073 -0.4073 -0.2737 -0.2737 -0.2511 -0.2511 2.1163 2.1163 2.2128 2.2128 2.2641 2.2641 2.4843 2.4843 2.5314 2.5314 2.6078 2.6078 3.5092 3.5092 3.5103 3.5103 4.3171 4.3171 4.3192 4.3192 9.9472 9.9472 k = 0.3611 0.1970 0.1365 ( 4054 PWs) bands (ev): -20.4962 -20.4962 -20.1823 -20.1823 -19.9366 -19.9366 -19.9357 -19.9357 -19.9348 -19.9348 -19.9318 -19.9318 -3.8741 -3.8741 -3.3908 -3.3908 -3.3898 -3.3898 -3.1529 -3.1529 -3.0987 -3.0987 -3.0940 -3.0940 -2.3588 -2.3588 -2.2291 -2.2291 -2.2107 -2.2107 -1.4243 -1.4243 -1.3557 -1.3557 -1.3408 -1.3408 -0.7553 -0.7553 -0.5619 -0.5619 -0.4352 -0.4352 -0.4117 -0.4117 -0.2645 -0.2645 -0.2419 -0.2419 2.0946 2.0946 2.1886 2.1886 2.2400 2.2400 2.5002 2.5002 2.5376 2.5376 2.6161 2.6161 3.4727 3.4727 3.4739 3.4739 4.3618 4.3618 4.3640 4.3640 9.8484 9.8484 k = 0.3472 0.1894 0.1313 ( 4057 PWs) bands (ev): -20.5103 -20.5103 -20.1672 -20.1672 -19.9366 -19.9366 -19.9356 -19.9356 -19.9349 -19.9349 -19.9316 -19.9316 -3.9103 -3.9103 -3.4046 -3.4046 -3.4038 -3.4038 -3.1215 -3.1215 -3.0860 -3.0860 -3.0811 -3.0811 -2.3902 -2.3902 -2.2640 -2.2640 -2.2454 -2.2454 -1.3675 -1.3675 -1.3079 -1.3079 -1.2930 -1.2930 -0.7672 -0.7672 -0.5562 -0.5562 -0.4388 -0.4388 -0.4154 -0.4154 -0.2556 -0.2556 -0.2331 -0.2331 2.0729 2.0729 2.1640 2.1640 2.2156 2.2156 2.5153 2.5153 2.5420 2.5420 2.6230 2.6230 3.4382 3.4382 3.4396 3.4396 4.4058 4.4058 4.4080 4.4080 9.7515 9.7515 k = 0.3333 0.1818 0.1260 ( 4033 PWs) bands (ev): -20.5240 -20.5240 -20.1525 -20.1525 -19.9365 -19.9365 -19.9355 -19.9355 -19.9350 -19.9350 -19.9314 -19.9314 -3.9459 -3.9459 -3.4182 -3.4182 -3.4175 -3.4175 -3.0911 -3.0911 -3.0732 -3.0732 -3.0686 -3.0686 -2.4200 -2.4200 -2.2976 -2.2976 -2.2789 -2.2789 -1.3108 -1.3108 -1.2603 -1.2603 -1.2452 -1.2452 -0.7791 -0.7791 -0.5510 -0.5510 -0.4416 -0.4416 -0.4182 -0.4182 -0.2472 -0.2472 -0.2248 -0.2248 2.0513 2.0513 2.1394 2.1394 2.1910 2.1910 2.5295 2.5295 2.5445 2.5445 2.6285 2.6285 3.4059 3.4059 3.4076 3.4076 4.4489 4.4489 4.4513 4.4513 9.6568 9.6568 k = 0.3194 0.1743 0.1208 ( 4036 PWs) bands (ev): -20.5373 -20.5373 -20.1380 -20.1380 -19.9365 -19.9365 -19.9354 -19.9354 -19.9351 -19.9351 -19.9312 -19.9312 -3.9808 -3.9808 -3.4314 -3.4314 -3.4309 -3.4309 -3.0651 -3.0651 -3.0574 -3.0574 -3.0565 -3.0565 -2.4482 -2.4482 -2.3302 -2.3302 -2.3113 -2.3113 -1.2543 -1.2543 -1.2129 -1.2129 -1.1976 -1.1976 -0.7909 -0.7909 -0.5461 -0.5461 -0.4435 -0.4435 -0.4202 -0.4202 -0.2392 -0.2392 -0.2169 -0.2169 2.0297 2.0297 2.1145 2.1145 2.1662 2.1662 2.5423 2.5423 2.5448 2.5448 2.6328 2.6328 3.3759 3.3759 3.3780 3.3780 4.4911 4.4911 4.4936 4.4936 9.5642 9.5642 k = 0.3056 0.1667 0.1155 ( 4039 PWs) bands (ev): -20.5502 -20.5502 -20.1239 -20.1239 -19.9365 -19.9365 -19.9353 -19.9353 -19.9352 -19.9352 -19.9311 -19.9311 -4.0150 -4.0150 -3.4443 -3.4443 -3.4439 -3.4439 -3.0515 -3.0515 -3.0449 -3.0449 -3.0304 -3.0304 -2.4749 -2.4749 -2.3615 -2.3615 -2.3424 -2.3424 -1.1985 -1.1985 -1.1660 -1.1660 -1.1500 -1.1500 -0.8025 -0.8025 -0.5416 -0.5416 -0.4446 -0.4446 -0.4214 -0.4214 -0.2317 -0.2317 -0.2095 -0.2095 2.0081 2.0081 2.0896 2.0896 2.1414 2.1414 2.5432 2.5432 2.5531 2.5531 2.6364 2.6364 3.3483 3.3483 3.3509 3.3509 4.5322 4.5322 4.5349 4.5349 9.4741 9.4741 k = 0.2917 0.1591 0.1103 ( 4057 PWs) bands (ev): -20.5627 -20.5627 -20.1103 -20.1103 -19.9365 -19.9365 -19.9353 -19.9353 -19.9352 -19.9352 -19.9309 -19.9309 -4.0484 -4.0484 -3.4569 -3.4569 -3.4566 -3.4566 -3.0404 -3.0404 -3.0339 -3.0339 -3.0024 -3.0024 -2.5001 -2.5001 -2.3916 -2.3916 -2.3724 -2.3724 -1.1437 -1.1437 -1.1196 -1.1196 -1.1025 -1.1025 -0.8140 -0.8140 -0.5375 -0.5375 -0.4448 -0.4448 -0.4217 -0.4217 -0.2248 -0.2248 -0.2027 -0.2027 1.9867 1.9867 2.0646 2.0646 2.1166 2.1166 2.5394 2.5394 2.5611 2.5611 2.6400 2.6400 3.3231 3.3231 3.3264 3.3264 4.5722 4.5722 4.5750 4.5750 9.3865 9.3865 k = 0.2778 0.1515 0.1050 ( 4045 PWs) bands (ev): -20.5748 -20.5748 -20.0970 -20.0970 -19.9365 -19.9365 -19.9353 -19.9353 -19.9352 -19.9352 -19.9307 -19.9307 -4.0809 -4.0809 -3.4690 -3.4690 -3.4688 -3.4688 -3.0299 -3.0299 -3.0232 -3.0232 -2.9750 -2.9750 -2.5239 -2.5239 -2.4204 -2.4204 -2.4010 -2.4010 -1.0904 -1.0904 -1.0738 -1.0738 -1.0547 -1.0547 -0.8252 -0.8252 -0.5335 -0.5335 -0.4442 -0.4442 -0.4212 -0.4212 -0.2185 -0.2185 -0.1965 -0.1965 1.9654 1.9654 2.0398 2.0398 2.0921 2.0921 2.5336 2.5336 2.5655 2.5655 2.6445 2.6445 3.3006 3.3006 3.3048 3.3048 4.6111 4.6111 4.6140 4.6140 9.3015 9.3015 k = 0.2639 0.1440 0.0998 ( 4057 PWs) bands (ev): -20.5864 -20.5864 -20.0841 -20.0841 -19.9364 -19.9364 -19.9354 -19.9354 -19.9351 -19.9351 -19.9306 -19.9306 -4.1123 -4.1123 -3.4807 -3.4807 -3.4806 -3.4806 -3.0200 -3.0200 -3.0132 -3.0132 -2.9485 -2.9485 -2.5462 -2.5462 -2.4480 -2.4480 -2.4284 -2.4284 -1.0395 -1.0395 -1.0287 -1.0287 -1.0065 -1.0065 -0.8361 -0.8361 -0.5298 -0.5298 -0.4427 -0.4427 -0.4198 -0.4198 -0.2129 -0.2129 -0.1910 -0.1910 1.9442 1.9442 2.0151 2.0151 2.0678 2.0678 2.5258 2.5258 2.5657 2.5657 2.6505 2.6505 3.2806 3.2806 3.2857 3.2857 4.6486 4.6486 4.6517 4.6517 9.2194 9.2194 k = 0.2500 0.1364 0.0945 ( 4054 PWs) bands (ev): -20.5975 -20.5975 -20.0718 -20.0718 -19.9364 -19.9364 -19.9354 -19.9354 -19.9350 -19.9350 -19.9304 -19.9304 -4.1427 -4.1427 -3.4919 -3.4919 -3.4919 -3.4919 -3.0105 -3.0105 -3.0035 -3.0035 -2.9230 -2.9230 -2.5671 -2.5671 -2.4742 -2.4742 -2.4545 -2.4545 -0.9913 -0.9913 -0.9846 -0.9846 -0.9577 -0.9577 -0.8466 -0.8466 -0.5261 -0.5261 -0.4403 -0.4403 -0.4177 -0.4177 -0.2079 -0.2079 -0.1861 -0.1861 1.9234 1.9234 1.9907 1.9907 2.0438 2.0438 2.5163 2.5163 2.5619 2.5619 2.6581 2.6581 3.2631 3.2631 3.2694 3.2694 4.6848 4.6848 4.6880 4.6880 9.1403 9.1403 k = 0.2361 0.1288 0.0893 ( 4048 PWs) bands (ev): -20.6081 -20.6081 -20.0599 -20.0599 -19.9364 -19.9364 -19.9355 -19.9355 -19.9349 -19.9349 -19.9302 -19.9302 -4.1719 -4.1719 -3.5028 -3.5028 -3.5026 -3.5026 -3.0016 -3.0016 -2.9944 -2.9944 -2.8984 -2.8984 -2.5867 -2.5867 -2.4992 -2.4992 -2.4793 -2.4793 -0.9460 -0.9460 -0.9414 -0.9414 -0.9089 -0.9089 -0.8565 -0.8565 -0.5224 -0.5224 -0.4372 -0.4372 -0.4147 -0.4147 -0.2037 -0.2037 -0.1820 -0.1820 1.9028 1.9028 1.9667 1.9667 2.0202 2.0202 2.5052 2.5052 2.5546 2.5546 2.6668 2.6668 3.2479 3.2479 3.2555 3.2555 4.7196 4.7196 4.7230 4.7230 9.0643 9.0643 k = 0.2222 0.1212 0.0840 ( 4051 PWs) bands (ev): -20.6182 -20.6182 -20.0486 -20.0486 -19.9363 -19.9363 -19.9355 -19.9355 -19.9349 -19.9349 -19.9301 -19.9301 -4.1999 -4.1999 -3.5131 -3.5131 -3.5129 -3.5129 -2.9932 -2.9932 -2.9858 -2.9858 -2.8749 -2.8749 -2.6049 -2.6049 -2.5229 -2.5229 -2.5028 -2.5028 -0.9045 -0.9045 -0.8994 -0.8994 -0.8660 -0.8660 -0.8594 -0.8594 -0.5185 -0.5185 -0.4332 -0.4332 -0.4110 -0.4110 -0.2002 -0.2002 -0.1786 -0.1786 1.8826 1.8826 1.9431 1.9431 1.9972 1.9972 2.4926 2.4926 2.5444 2.5444 2.6761 2.6761 3.2351 3.2351 3.2440 3.2440 4.7528 4.7528 4.7563 4.7563 8.9916 8.9916 k = 0.2083 0.1137 0.0788 ( 4051 PWs) bands (ev): -20.6278 -20.6278 -20.0378 -20.0378 -19.9363 -19.9363 -19.9356 -19.9356 -19.9348 -19.9348 -19.9299 -19.9299 -4.2265 -4.2265 -3.5230 -3.5230 -3.5226 -3.5226 -2.9853 -2.9853 -2.9778 -2.9778 -2.8525 -2.8525 -2.6219 -2.6219 -2.5452 -2.5452 -2.5250 -2.5250 -0.8831 -0.8831 -0.8587 -0.8587 -0.8546 -0.8546 -0.8140 -0.8140 -0.5141 -0.5141 -0.4285 -0.4285 -0.4066 -0.4066 -0.1974 -0.1974 -0.1760 -0.1760 1.8628 1.8628 1.9200 1.9200 1.9748 1.9748 2.4790 2.4790 2.5323 2.5323 2.6857 2.6857 3.2242 3.2242 3.2345 3.2345 4.7844 4.7844 4.7881 4.7881 8.9223 8.9223 k = 0.1944 0.1061 0.0735 ( 4033 PWs) bands (ev): -20.6368 -20.6368 -20.0276 -20.0276 -19.9362 -19.9362 -19.9356 -19.9356 -19.9347 -19.9347 -19.9298 -19.9298 -4.2517 -4.2517 -3.5322 -3.5322 -3.5318 -3.5318 -2.9780 -2.9780 -2.9702 -2.9702 -2.8312 -2.8312 -2.6376 -2.6376 -2.5661 -2.5661 -2.5457 -2.5457 -0.8889 -0.8889 -0.8194 -0.8194 -0.8186 -0.8186 -0.7700 -0.7700 -0.5088 -0.5088 -0.4230 -0.4230 -0.4015 -0.4015 -0.1953 -0.1953 -0.1741 -0.1741 1.8435 1.8435 1.8977 1.8977 1.9531 1.9531 2.4647 2.4647 2.5187 2.5187 2.6953 2.6953 3.2152 3.2152 3.2270 3.2270 4.8144 4.8144 4.8182 4.8182 8.8567 8.8567 k = 0.1806 0.0985 0.0683 ( 4045 PWs) bands (ev): -20.6453 -20.6453 -20.0179 -20.0179 -19.9362 -19.9362 -19.9356 -19.9356 -19.9346 -19.9346 -19.9297 -19.9297 -4.2756 -4.2756 -3.5410 -3.5410 -3.5405 -3.5405 -2.9711 -2.9711 -2.9631 -2.9631 -2.8112 -2.8112 -2.6521 -2.6521 -2.5858 -2.5858 -2.5652 -2.5652 -0.8969 -0.8969 -0.7819 -0.7819 -0.7818 -0.7818 -0.7292 -0.7292 -0.5023 -0.5023 -0.4169 -0.4169 -0.3958 -0.3958 -0.1941 -0.1941 -0.1730 -0.1730 1.8248 1.8248 1.8760 1.8760 1.9322 1.9322 2.4498 2.4498 2.5042 2.5042 2.7045 2.7045 3.2078 3.2078 3.2210 3.2210 4.8426 4.8426 4.8466 4.8466 8.7947 8.7947 k = 0.1667 0.0909 0.0630 ( 4045 PWs) bands (ev): -20.6532 -20.6532 -20.0090 -20.0090 -19.9361 -19.9361 -19.9357 -19.9357 -19.9346 -19.9346 -19.9295 -19.9295 -4.2979 -4.2979 -3.5492 -3.5492 -3.5486 -3.5486 -2.9647 -2.9647 -2.9566 -2.9566 -2.7923 -2.7923 -2.6654 -2.6654 -2.6040 -2.6040 -2.5833 -2.5833 -0.9049 -0.9049 -0.7467 -0.7467 -0.7460 -0.7460 -0.6926 -0.6926 -0.4938 -0.4938 -0.4102 -0.4102 -0.3896 -0.3896 -0.1935 -0.1935 -0.1726 -0.1726 1.8068 1.8068 1.8552 1.8552 1.9122 1.9122 2.4347 2.4347 2.4892 2.4892 2.7132 2.7132 3.2019 3.2019 3.2164 3.2164 4.8690 4.8690 4.8731 4.8731 8.7367 8.7367 k = 0.1528 0.0833 0.0578 ( 4051 PWs) bands (ev): -20.6605 -20.6605 -20.0006 -20.0006 -19.9361 -19.9361 -19.9357 -19.9357 -19.9345 -19.9345 -19.9294 -19.9294 -4.3186 -4.3186 -3.5568 -3.5568 -3.5561 -3.5561 -2.9588 -2.9588 -2.9505 -2.9505 -2.7748 -2.7748 -2.6775 -2.6775 -2.6209 -2.6209 -2.6000 -2.6000 -0.9124 -0.9124 -0.7136 -0.7136 -0.7121 -0.7121 -0.6612 -0.6612 -0.4828 -0.4828 -0.4030 -0.4030 -0.3830 -0.3830 -0.1937 -0.1937 -0.1730 -0.1730 1.7896 1.7896 1.8355 1.8355 1.8932 1.8932 2.4197 2.4197 2.4741 2.4741 2.7215 2.7215 3.1971 3.1971 3.2129 3.2129 4.8935 4.8935 4.8978 4.8978 8.6828 8.6828 k = 0.1389 0.0758 0.0525 ( 4051 PWs) bands (ev): -20.6672 -20.6672 -19.9929 -19.9929 -19.9360 -19.9360 -19.9357 -19.9357 -19.9344 -19.9344 -19.9293 -19.9293 -4.3377 -4.3377 -3.5638 -3.5638 -3.5630 -3.5630 -2.9534 -2.9534 -2.9450 -2.9450 -2.7586 -2.7586 -2.6886 -2.6886 -2.6365 -2.6365 -2.6154 -2.6154 -0.9195 -0.9195 -0.6827 -0.6827 -0.6804 -0.6804 -0.6357 -0.6357 -0.4688 -0.4688 -0.3952 -0.3952 -0.3760 -0.3760 -0.1945 -0.1945 -0.1740 -0.1740 1.7734 1.7734 1.8169 1.8169 1.8754 1.8754 2.4051 2.4051 2.4593 2.4593 2.7292 2.7292 3.1934 3.1934 3.2104 3.2104 4.9161 4.9161 4.9205 4.9205 8.6330 8.6330 k = 0.1250 0.0682 0.0473 ( 4057 PWs) bands (ev): -20.6733 -20.6733 -19.9860 -19.9860 -19.9360 -19.9360 -19.9357 -19.9357 -19.9344 -19.9344 -19.9292 -19.9292 -4.3552 -4.3552 -3.5701 -3.5701 -3.5693 -3.5693 -2.9485 -2.9485 -2.9399 -2.9399 -2.7438 -2.7438 -2.6985 -2.6985 -2.6506 -2.6506 -2.6293 -2.6293 -0.9260 -0.9260 -0.6542 -0.6542 -0.6509 -0.6509 -0.6161 -0.6161 -0.4520 -0.4520 -0.3870 -0.3870 -0.3688 -0.3688 -0.1959 -0.1959 -0.1757 -0.1757 1.7581 1.7581 1.7995 1.7995 1.8588 1.8588 2.3911 2.3911 2.4450 2.4450 2.7363 2.7363 3.1905 3.1905 3.2086 3.2086 4.9367 4.9367 4.9413 4.9413 8.5875 8.5875 k = 0.1111 0.0606 0.0420 ( 4057 PWs) bands (ev): -20.6788 -20.6788 -19.9797 -19.9797 -19.9360 -19.9360 -19.9357 -19.9357 -19.9343 -19.9343 -19.9291 -19.9291 -4.3709 -4.3709 -3.5759 -3.5759 -3.5750 -3.5750 -2.9441 -2.9441 -2.9353 -2.9353 -2.7304 -2.7304 -2.7073 -2.7073 -2.6633 -2.6633 -2.6418 -2.6418 -0.9319 -0.9319 -0.6285 -0.6285 -0.6240 -0.6240 -0.6015 -0.6015 -0.4335 -0.4335 -0.3782 -0.3782 -0.3615 -0.3615 -0.1978 -0.1978 -0.1779 -0.1779 1.7440 1.7440 1.7835 1.7835 1.8435 1.8435 2.3780 2.3780 2.4315 2.4315 2.7427 2.7427 3.1883 3.1883 3.2074 3.2074 4.9553 4.9553 4.9600 4.9600 8.5464 8.5464 k = 0.0972 0.0530 0.0368 ( 4042 PWs) bands (ev): -20.6837 -20.6837 -19.9741 -19.9741 -19.9359 -19.9359 -19.9357 -19.9357 -19.9342 -19.9342 -19.9290 -19.9290 -4.3849 -4.3849 -3.5809 -3.5809 -3.5800 -3.5800 -2.9401 -2.9401 -2.9312 -2.9312 -2.7184 -2.7184 -2.7150 -2.7150 -2.6747 -2.6747 -2.6529 -2.6529 -0.9372 -0.9372 -0.6064 -0.6064 -0.5997 -0.5997 -0.5901 -0.5901 -0.4150 -0.4150 -0.3686 -0.3686 -0.3543 -0.3543 -0.2002 -0.2002 -0.1806 -0.1806 1.7314 1.7314 1.7691 1.7691 1.8298 1.8298 2.3659 2.3659 2.4192 2.4192 2.7484 2.7484 3.1868 3.1868 3.2067 3.2067 4.9719 4.9719 4.9766 4.9766 8.5099 8.5099 k = 0.0833 0.0455 0.0315 ( 4063 PWs) bands (ev): -20.6879 -20.6879 -19.9692 -19.9692 -19.9359 -19.9359 -19.9358 -19.9358 -19.9341 -19.9341 -19.9290 -19.9290 -4.3971 -4.3971 -3.5854 -3.5854 -3.5844 -3.5844 -2.9367 -2.9367 -2.9276 -2.9276 -2.7217 -2.7217 -2.7080 -2.7080 -2.6846 -2.6846 -2.6626 -2.6626 -0.9418 -0.9418 -0.5911 -0.5911 -0.5782 -0.5782 -0.5778 -0.5778 -0.3983 -0.3983 -0.3582 -0.3582 -0.3473 -0.3473 -0.2029 -0.2029 -0.1836 -0.1836 1.7200 1.7200 1.7563 1.7563 1.8176 1.8176 2.3550 2.3550 2.4080 2.4080 2.7534 2.7534 3.1856 3.1856 3.2062 3.2062 4.9862 4.9862 4.9910 4.9910 8.4780 8.4780 k = 0.0694 0.0379 0.0263 ( 4066 PWs) bands (ev): -20.6915 -20.6915 -19.9651 -19.9651 -19.9359 -19.9359 -19.9358 -19.9358 -19.9340 -19.9340 -19.9289 -19.9289 -4.4074 -4.4074 -3.5892 -3.5892 -3.5882 -3.5882 -2.9338 -2.9338 -2.9246 -2.9246 -2.7274 -2.7274 -2.6991 -2.6991 -2.6930 -2.6930 -2.6708 -2.6708 -0.9457 -0.9457 -0.5839 -0.5839 -0.5625 -0.5625 -0.5597 -0.5597 -0.3846 -0.3846 -0.3469 -0.3469 -0.3407 -0.3407 -0.2057 -0.2057 -0.1868 -0.1868 1.7100 1.7100 1.7452 1.7452 1.8071 1.8071 2.3457 2.3457 2.3983 2.3983 2.7577 2.7577 3.1847 3.1847 3.2060 3.2060 4.9984 4.9984 5.0034 5.0034 8.4508 8.4508 k = 0.0556 0.0303 0.0210 ( 4066 PWs) bands (ev): -20.6944 -20.6944 -19.9618 -19.9618 -19.9359 -19.9359 -19.9358 -19.9358 -19.9339 -19.9339 -19.9289 -19.9289 -4.4159 -4.4159 -3.5923 -3.5923 -3.5912 -3.5912 -2.9313 -2.9313 -2.9220 -2.9220 -2.7320 -2.7320 -2.6999 -2.6999 -2.6918 -2.6918 -2.6776 -2.6776 -0.9490 -0.9490 -0.5799 -0.5799 -0.5484 -0.5484 -0.5444 -0.5444 -0.3742 -0.3742 -0.3354 -0.3354 -0.3347 -0.3347 -0.2085 -0.2085 -0.1899 -0.1899 1.7018 1.7018 1.7360 1.7360 1.7983 1.7983 2.3378 2.3378 2.3902 2.3902 2.7612 2.7612 3.1841 3.1841 3.2059 3.2059 5.0085 5.0085 5.0135 5.0135 8.4285 8.4285 k = 0.0417 0.0227 0.0158 ( 4066 PWs) bands (ev): -20.6967 -20.6967 -19.9592 -19.9592 -19.9359 -19.9359 -19.9358 -19.9358 -19.9339 -19.9339 -19.9288 -19.9288 -4.4226 -4.4226 -3.5947 -3.5947 -3.5936 -3.5936 -2.9294 -2.9294 -2.9200 -2.9200 -2.7356 -2.7356 -2.7053 -2.7053 -2.6862 -2.6862 -2.6828 -2.6828 -0.9515 -0.9515 -0.5775 -0.5775 -0.5371 -0.5371 -0.5323 -0.5323 -0.3666 -0.3666 -0.3297 -0.3297 -0.3250 -0.3250 -0.2111 -0.2111 -0.1927 -0.1927 1.6953 1.6953 1.7287 1.7287 1.7915 1.7915 2.3315 2.3315 2.3837 2.3837 2.7638 2.7638 3.1837 3.1837 3.2059 3.2059 5.0164 5.0164 5.0214 5.0214 8.4111 8.4111 k = 0.0278 0.0152 0.0105 ( 4054 PWs) bands (ev): -20.6984 -20.6984 -19.9573 -19.9573 -19.9358 -19.9358 -19.9358 -19.9358 -19.9338 -19.9338 -19.9288 -19.9288 -4.4273 -4.4273 -3.5964 -3.5964 -3.5953 -3.5953 -2.9280 -2.9280 -2.9185 -2.9185 -2.7381 -2.7381 -2.7092 -2.7092 -2.6866 -2.6866 -2.6820 -2.6820 -0.9533 -0.9533 -0.5759 -0.5759 -0.5288 -0.5288 -0.5236 -0.5236 -0.3614 -0.3614 -0.3258 -0.3258 -0.3168 -0.3168 -0.2132 -0.2132 -0.1950 -0.1950 1.6906 1.6906 1.7235 1.7235 1.7865 1.7865 2.3271 2.3271 2.3791 2.3791 2.7659 2.7659 3.1835 3.1835 3.2060 3.2060 5.0220 5.0220 5.0271 5.0271 8.3986 8.3986 k = 0.0139 0.0076 0.0053 ( 4060 PWs) bands (ev): -20.6993 -20.6993 -19.9562 -19.9562 -19.9358 -19.9358 -19.9358 -19.9358 -19.9338 -19.9338 -19.9288 -19.9288 -4.4302 -4.4302 -3.5974 -3.5974 -3.5963 -3.5963 -2.9272 -2.9272 -2.9177 -2.9177 -2.7396 -2.7396 -2.7116 -2.7116 -2.6889 -2.6889 -2.6796 -2.6796 -0.9544 -0.9544 -0.5751 -0.5751 -0.5238 -0.5238 -0.5184 -0.5184 -0.3584 -0.3584 -0.3233 -0.3233 -0.3117 -0.3117 -0.2146 -0.2146 -0.1965 -0.1965 1.6877 1.6877 1.7203 1.7203 1.7835 1.7835 2.3243 2.3243 2.3763 2.3763 2.7671 2.7671 3.1833 3.1833 3.2060 3.2060 5.0254 5.0254 5.0305 5.0305 8.3911 8.3911 k = 0.0000 0.0000 0.0000 ( 4051 PWs) bands (ev): -20.6997 -20.6997 -19.9558 -19.9558 -19.9358 -19.9358 -19.9358 -19.9358 -19.9337 -19.9337 -19.9288 -19.9288 -4.4311 -4.4311 -3.5978 -3.5978 -3.5967 -3.5967 -2.9269 -2.9269 -2.9173 -2.9173 -2.7401 -2.7401 -2.7123 -2.7123 -2.6896 -2.6896 -2.6787 -2.6787 -0.9548 -0.9548 -0.5748 -0.5748 -0.5221 -0.5221 -0.5166 -0.5166 -0.3574 -0.3574 -0.3225 -0.3225 -0.3099 -0.3099 -0.2151 -0.2151 -0.1970 -0.1970 1.6868 1.6868 1.7193 1.7193 1.7825 1.7825 2.3235 2.3235 2.3754 2.3754 2.7675 2.7675 3.1833 3.1833 3.2060 3.2060 5.0265 5.0265 5.0317 5.0317 8.3886 8.3886 k = 0.0000 0.0000 0.0000 ( 4051 PWs) bands (ev): -20.6997 -20.6997 -19.9558 -19.9558 -19.9358 -19.9358 -19.9358 -19.9358 -19.9337 -19.9337 -19.9288 -19.9288 -4.4311 -4.4311 -3.5978 -3.5978 -3.5967 -3.5967 -2.9269 -2.9269 -2.9173 -2.9173 -2.7401 -2.7401 -2.7123 -2.7123 -2.6896 -2.6896 -2.6787 -2.6787 -0.9548 -0.9548 -0.5748 -0.5748 -0.5221 -0.5221 -0.5166 -0.5166 -0.3574 -0.3574 -0.3225 -0.3225 -0.3099 -0.3099 -0.2151 -0.2151 -0.1970 -0.1970 1.6868 1.6868 1.7193 1.7193 1.7825 1.7825 2.3235 2.3235 2.3754 2.3754 2.7675 2.7675 3.1833 3.1833 3.2060 3.2060 5.0265 5.0265 5.0317 5.0317 8.3886 8.3886 k = 0.0080-0.0052-0.0138 ( 4055 PWs) bands (ev): -20.6994 -20.6994 -19.9558 -19.9558 -19.9363 -19.9363 -19.9359 -19.9359 -19.9335 -19.9335 -19.9288 -19.9288 -4.4305 -4.4305 -3.5974 -3.5974 -3.5962 -3.5962 -2.9276 -2.9276 -2.9181 -2.9181 -2.7388 -2.7388 -2.7145 -2.7145 -2.6935 -2.6935 -2.6721 -2.6721 -0.9554 -0.9554 -0.5763 -0.5763 -0.5226 -0.5226 -0.5167 -0.5167 -0.3581 -0.3581 -0.3236 -0.3236 -0.3110 -0.3110 -0.2147 -0.2147 -0.1966 -0.1966 1.6876 1.6876 1.7201 1.7201 1.7833 1.7833 2.3242 2.3242 2.3762 2.3762 2.7672 2.7672 3.1833 3.1833 3.2060 3.2060 5.0255 5.0255 5.0307 5.0307 8.3911 8.3911 k = 0.0161-0.0104-0.0276 ( 4055 PWs) bands (ev): -20.6984 -20.6984 -19.9559 -19.9559 -19.9373 -19.9373 -19.9363 -19.9363 -19.9330 -19.9330 -19.9288 -19.9288 -4.4287 -4.4287 -3.5965 -3.5965 -3.5946 -3.5946 -2.9299 -2.9299 -2.9203 -2.9203 -2.7352 -2.7352 -2.7205 -2.7205 -2.6966 -2.6966 -2.6606 -2.6606 -0.9571 -0.9571 -0.5805 -0.5805 -0.5241 -0.5241 -0.5171 -0.5171 -0.3601 -0.3601 -0.3268 -0.3268 -0.3144 -0.3144 -0.2135 -0.2135 -0.1955 -0.1955 1.6900 1.6900 1.7224 1.7224 1.7858 1.7858 2.3265 2.3265 2.3786 2.3786 2.7662 2.7662 3.1833 3.1833 3.2059 3.2059 5.0221 5.0221 5.0284 5.0284 8.3988 8.3988 k = 0.0241-0.0155-0.0414 ( 4057 PWs) bands (ev): -20.6969 -20.6969 -19.9561 -19.9561 -19.9389 -19.9389 -19.9369 -19.9369 -19.9326 -19.9326 -19.9287 -19.9287 -4.4256 -4.4256 -3.5953 -3.5953 -3.5916 -3.5916 -2.9338 -2.9338 -2.9237 -2.9237 -2.7337 -2.7337 -2.7247 -2.7247 -2.6972 -2.6972 -2.6479 -2.6479 -0.9599 -0.9599 -0.5873 -0.5873 -0.5270 -0.5270 -0.5180 -0.5180 -0.3632 -0.3632 -0.3319 -0.3319 -0.3196 -0.3196 -0.2119 -0.2119 -0.1936 -0.1936 1.6939 1.6939 1.7264 1.7264 1.7899 1.7899 2.3301 2.3301 2.3829 2.3829 2.7647 2.7647 3.1833 3.1833 3.2057 3.2057 5.0155 5.0155 5.0253 5.0253 8.4115 8.4115 k = 0.0322-0.0207-0.0552 ( 4053 PWs) bands (ev): -20.6947 -20.6947 -19.9564 -19.9564 -19.9409 -19.9409 -19.9375 -19.9375 -19.9325 -19.9325 -19.9285 -19.9285 -4.4214 -4.4214 -3.5937 -3.5937 -3.5874 -3.5874 -2.9393 -2.9393 -2.9278 -2.9278 -2.7419 -2.7419 -2.7184 -2.7184 -2.6959 -2.6959 -2.6342 -2.6342 -0.9640 -0.9640 -0.5963 -0.5963 -0.5319 -0.5319 -0.5194 -0.5194 -0.3672 -0.3672 -0.3386 -0.3386 -0.3263 -0.3263 -0.2102 -0.2102 -0.1911 -0.1911 1.6992 1.6992 1.7320 1.7320 1.7956 1.7956 2.3347 2.3347 2.3892 2.3892 2.7625 2.7625 3.1834 3.1834 3.2057 3.2057 5.0058 5.0058 5.0216 5.0216 8.4292 8.4292 k = 0.0402-0.0259-0.0690 ( 4055 PWs) bands (ev): -20.6919 -20.6919 -19.9568 -19.9568 -19.9434 -19.9434 -19.9382 -19.9382 -19.9327 -19.9327 -19.9280 -19.9280 -4.4160 -4.4160 -3.5917 -3.5917 -3.5819 -3.5819 -2.9469 -2.9469 -2.9323 -2.9323 -2.7520 -2.7520 -2.7100 -2.7100 -2.6925 -2.6925 -2.6197 -2.6197 -0.9694 -0.9694 -0.6075 -0.6075 -0.5394 -0.5394 -0.5213 -0.5213 -0.3717 -0.3717 -0.3462 -0.3462 -0.3342 -0.3342 -0.2088 -0.2088 -0.1879 -0.1879 1.7058 1.7058 1.7391 1.7391 1.8030 1.8030 2.3398 2.3398 2.3977 2.3977 2.7597 2.7597 3.1834 3.1834 3.2057 3.2057 4.9932 4.9932 5.0170 5.0170 8.4519 8.4519 k = 0.0483-0.0311-0.0828 ( 4061 PWs) bands (ev): -20.6884 -20.6884 -19.9574 -19.9574 -19.9466 -19.9466 -19.9388 -19.9388 -19.9330 -19.9330 -19.9274 -19.9274 -4.4095 -4.4095 -3.5893 -3.5893 -3.5752 -3.5752 -2.9563 -2.9563 -2.9368 -2.9368 -2.7623 -2.7623 -2.7033 -2.7033 -2.6851 -2.6851 -2.6043 -2.6043 -0.9761 -0.9761 -0.6206 -0.6206 -0.5501 -0.5501 -0.5237 -0.5237 -0.3766 -0.3766 -0.3541 -0.3541 -0.3432 -0.3432 -0.2078 -0.2078 -0.1844 -0.1844 1.7135 1.7135 1.7477 1.7477 1.8121 1.8121 2.3452 2.3452 2.4085 2.4085 2.7563 2.7563 3.1834 3.1834 3.2062 3.2062 4.9777 4.9777 5.0114 5.0114 8.4796 8.4796 k = 0.0563-0.0363-0.0966 ( 4055 PWs) bands (ev): -20.6844 -20.6844 -19.9583 -19.9583 -19.9502 -19.9502 -19.9392 -19.9392 -19.9334 -19.9334 -19.9268 -19.9268 -4.4019 -4.4019 -3.5864 -3.5864 -3.5673 -3.5673 -2.9676 -2.9676 -2.9412 -2.9412 -2.7723 -2.7723 -2.6991 -2.6991 -2.6736 -2.6736 -2.5878 -2.5878 -0.9843 -0.9843 -0.6357 -0.6357 -0.5641 -0.5641 -0.5264 -0.5264 -0.3824 -0.3824 -0.3612 -0.3612 -0.3529 -0.3529 -0.2072 -0.2072 -0.1805 -0.1805 1.7222 1.7222 1.7577 1.7577 1.8228 1.8228 2.3506 2.3506 2.4214 2.4214 2.7524 2.7524 3.1833 3.1833 3.2073 3.2073 4.9596 4.9596 5.0050 5.0050 8.5121 8.5121 k = 0.0644-0.0414-0.1105 ( 4057 PWs) bands (ev): -20.6798 -20.6798 -19.9596 -19.9596 -19.9540 -19.9540 -19.9396 -19.9396 -19.9339 -19.9339 -19.9261 -19.9261 -4.3933 -4.3933 -3.5830 -3.5830 -3.5582 -3.5582 -2.9807 -2.9807 -2.9456 -2.9456 -2.7820 -2.7820 -2.6959 -2.6959 -2.6598 -2.6598 -2.5701 -2.5701 -0.9942 -0.9942 -0.6528 -0.6528 -0.5811 -0.5811 -0.5297 -0.5297 -0.3897 -0.3897 -0.3671 -0.3671 -0.3624 -0.3624 -0.2072 -0.2072 -0.1766 -0.1766 1.7317 1.7317 1.7690 1.7690 1.8352 1.8352 2.3559 2.3559 2.4362 2.4362 2.7479 2.7479 3.1831 3.1831 3.2092 3.2092 4.9387 4.9387 4.9976 4.9976 8.5493 8.5493 k = 0.0724-0.0466-0.1243 ( 4059 PWs) bands (ev): -20.6746 -20.6746 -19.9624 -19.9624 -19.9572 -19.9572 -19.9398 -19.9398 -19.9345 -19.9345 -19.9254 -19.9254 -4.3836 -4.3836 -3.5792 -3.5792 -3.5480 -3.5480 -2.9954 -2.9954 -2.9500 -2.9500 -2.7912 -2.7912 -2.6930 -2.6930 -2.6449 -2.6449 -2.5510 -2.5510 -1.0061 -1.0061 -0.6722 -0.6722 -0.6004 -0.6004 -0.5334 -0.5334 -0.3988 -0.3988 -0.3761 -0.3761 -0.3670 -0.3670 -0.2076 -0.2076 -0.1727 -0.1727 1.7421 1.7421 1.7815 1.7815 1.8492 1.8492 2.3612 2.3612 2.4524 2.4524 2.7429 2.7429 3.1827 3.1827 3.2125 3.2125 4.9152 4.9152 4.9892 4.9892 8.5913 8.5913 k = 0.0804-0.0518-0.1381 ( 4059 PWs) bands (ev): -20.6688 -20.6688 -19.9671 -19.9671 -19.9592 -19.9592 -19.9400 -19.9400 -19.9351 -19.9351 -19.9248 -19.9248 -4.3730 -4.3730 -3.5748 -3.5748 -3.5366 -3.5366 -3.0116 -3.0116 -2.9544 -2.9544 -2.7997 -2.7997 -2.6899 -2.6899 -2.6294 -2.6294 -2.5304 -2.5304 -1.0201 -1.0201 -0.6938 -0.6938 -0.6211 -0.6211 -0.5377 -0.5377 -0.4093 -0.4093 -0.3872 -0.3872 -0.3679 -0.3679 -0.2086 -0.2086 -0.1690 -0.1690 1.7533 1.7533 1.7949 1.7949 1.8647 1.8647 2.3663 2.3663 2.4696 2.4696 2.7375 2.7375 3.1820 3.1820 3.2173 3.2173 4.8892 4.8892 4.9799 4.9799 8.6378 8.6378 k = 0.0885-0.0570-0.1519 ( 4059 PWs) bands (ev): -20.6625 -20.6625 -19.9729 -19.9729 -19.9607 -19.9607 -19.9399 -19.9399 -19.9358 -19.9358 -19.9242 -19.9242 -4.3615 -4.3615 -3.5699 -3.5699 -3.5241 -3.5241 -3.0293 -3.0293 -2.9589 -2.9589 -2.8075 -2.8075 -2.6865 -2.6865 -2.6136 -2.6136 -2.5081 -2.5081 -1.0367 -1.0367 -0.7176 -0.7176 -0.6424 -0.6424 -0.5428 -0.5428 -0.4206 -0.4206 -0.3985 -0.3985 -0.3673 -0.3673 -0.2100 -0.2100 -0.1656 -0.1656 1.7651 1.7651 1.8092 1.8092 1.8818 1.8818 2.3713 2.3713 2.4872 2.4872 2.7316 2.7316 3.1812 3.1812 3.2239 3.2239 4.8608 4.8608 4.9697 4.9697 8.6887 8.6887 k = 0.0965-0.0621-0.1657 ( 4059 PWs) bands (ev): -20.6555 -20.6555 -19.9794 -19.9794 -19.9621 -19.9621 -19.9398 -19.9398 -19.9365 -19.9365 -19.9236 -19.9236 -4.3491 -4.3491 -3.5645 -3.5645 -3.5106 -3.5106 -3.0484 -3.0484 -2.9638 -2.9638 -2.8142 -2.8142 -2.6828 -2.6828 -2.5978 -2.5978 -2.4840 -2.4840 -1.0563 -1.0563 -0.7431 -0.7431 -0.6638 -0.6638 -0.5488 -0.5488 -0.4329 -0.4329 -0.4092 -0.4092 -0.3659 -0.3659 -0.2119 -0.2119 -0.1626 -0.1626 1.7776 1.7776 1.8243 1.8243 1.9003 1.9003 2.3761 2.3761 2.5046 2.5046 2.7256 2.7256 3.1802 3.1802 3.2328 3.2328 4.8299 4.8299 4.9585 4.9585 8.7440 8.7440 k = 0.1046-0.0673-0.1795 ( 4051 PWs) bands (ev): -20.6481 -20.6481 -19.9865 -19.9865 -19.9636 -19.9636 -19.9396 -19.9396 -19.9373 -19.9373 -19.9231 -19.9231 -4.3361 -4.3361 -3.5585 -3.5585 -3.4959 -3.4959 -3.0688 -3.0688 -2.9693 -2.9693 -2.8198 -2.8198 -2.6787 -2.6787 -2.5821 -2.5821 -2.4581 -2.4581 -1.0795 -1.0795 -0.7696 -0.7696 -0.6850 -0.6850 -0.5559 -0.5559 -0.4462 -0.4462 -0.4187 -0.4187 -0.3642 -0.3642 -0.2143 -0.2143 -0.1600 -0.1600 1.7907 1.7907 1.8400 1.8400 1.9200 1.9200 2.3808 2.3808 2.5210 2.5210 2.7195 2.7195 3.1793 3.1793 3.2442 3.2442 4.7967 4.7967 4.9464 4.9464 8.8034 8.8034 k = 0.1126-0.0725-0.1933 ( 4053 PWs) bands (ev): -20.6401 -20.6401 -19.9941 -19.9941 -19.9652 -19.9652 -19.9394 -19.9394 -19.9380 -19.9380 -19.9226 -19.9226 -4.3223 -4.3223 -3.5519 -3.5519 -3.4802 -3.4802 -3.0904 -3.0904 -2.9755 -2.9755 -2.8240 -2.8240 -2.6742 -2.6742 -2.5663 -2.5663 -2.4304 -2.4304 -1.1064 -1.1064 -0.7962 -0.7962 -0.7059 -0.7059 -0.5643 -0.5643 -0.4604 -0.4604 -0.4267 -0.4267 -0.3623 -0.3623 -0.2171 -0.2171 -0.1579 -0.1579 1.8044 1.8044 1.8563 1.8563 1.9409 1.9409 2.3853 2.3853 2.5358 2.5358 2.7135 2.7135 3.1785 3.1785 3.2583 3.2583 4.7613 4.7613 4.9335 4.9335 8.8669 8.8669 k = 0.1207-0.0777-0.2071 ( 4047 PWs) bands (ev): -20.6316 -20.6316 -20.0022 -20.0022 -19.9669 -19.9669 -19.9395 -19.9395 -19.9384 -19.9384 -19.9221 -19.9221 -4.3080 -4.3080 -3.5447 -3.5447 -3.4636 -3.4636 -3.1131 -3.1131 -2.9826 -2.9826 -2.8266 -2.8266 -2.6692 -2.6692 -2.5505 -2.5505 -2.4011 -2.4011 -1.1376 -1.1376 -0.8220 -0.8220 -0.7266 -0.7266 -0.5740 -0.5740 -0.4754 -0.4754 -0.4330 -0.4330 -0.3604 -0.3604 -0.2205 -0.2205 -0.1563 -0.1563 1.8187 1.8187 1.8732 1.8732 1.9628 1.9628 2.3895 2.3895 2.5482 2.5482 2.7079 2.7079 3.1778 3.1778 3.2755 3.2755 4.7239 4.7239 4.9196 4.9196 8.9343 8.9343 k = 0.1287-0.0829-0.2209 ( 4049 PWs) bands (ev): -20.6226 -20.6226 -20.0107 -20.0107 -19.9686 -19.9686 -19.9403 -19.9403 -19.9381 -19.9381 -19.9216 -19.9216 -4.2933 -4.2933 -3.5369 -3.5369 -3.4460 -3.4460 -3.1368 -3.1368 -2.9908 -2.9908 -2.8276 -2.8276 -2.6637 -2.6637 -2.5346 -2.5346 -2.3701 -2.3701 -1.1731 -1.1731 -0.8466 -0.8466 -0.7472 -0.7472 -0.5851 -0.5851 -0.4910 -0.4910 -0.4375 -0.4375 -0.3587 -0.3587 -0.2243 -0.2243 -0.1553 -0.1553 1.8334 1.8334 1.8905 1.8905 1.9855 1.9855 2.3934 2.3934 2.5575 2.5575 2.7032 2.7032 3.1774 3.1774 3.2960 3.2960 4.6844 4.6844 4.9048 4.9048 9.0055 9.0055 k = 0.1368-0.0880-0.2347 ( 4051 PWs) bands (ev): -20.6132 -20.6132 -20.0197 -20.0197 -19.9704 -19.9704 -19.9412 -19.9412 -19.9377 -19.9377 -19.9212 -19.9212 -4.2781 -4.2781 -3.5284 -3.5284 -3.4275 -3.4275 -3.1615 -3.1615 -3.0001 -3.0001 -2.8269 -2.8269 -2.6577 -2.6577 -2.5186 -2.5186 -2.3375 -2.3375 -1.2127 -1.2127 -0.8696 -0.8696 -0.7676 -0.7676 -0.5975 -0.5975 -0.5072 -0.5072 -0.4404 -0.4404 -0.3574 -0.3574 -0.2286 -0.2286 -0.1549 -0.1549 1.8485 1.8485 1.9082 1.9082 2.0089 2.0089 2.3969 2.3969 2.5631 2.5631 2.6995 2.6995 3.1773 3.1773 3.3199 3.3199 4.6430 4.6430 4.8892 4.8892 9.0803 9.0803 k = 0.1448-0.0932-0.2485 ( 4045 PWs) bands (ev): -20.6032 -20.6032 -20.0290 -20.0290 -19.9722 -19.9722 -19.9422 -19.9422 -19.9372 -19.9372 -19.9207 -19.9207 -4.2627 -4.2627 -3.5191 -3.5191 -3.4082 -3.4082 -3.1870 -3.1870 -3.0105 -3.0105 -2.8246 -2.8246 -2.6511 -2.6511 -2.5023 -2.5023 -2.3035 -2.3035 -1.2561 -1.2561 -0.8910 -0.8910 -0.7878 -0.7878 -0.6111 -0.6111 -0.5237 -0.5237 -0.4417 -0.4417 -0.3565 -0.3565 -0.2334 -0.2334 -0.1551 -0.1551 1.8641 1.8641 1.9263 1.9263 2.0329 2.0329 2.4000 2.4000 2.5647 2.5647 2.6971 2.6971 3.1777 3.1777 3.3473 3.3473 4.5998 4.5998 4.8728 4.8728 9.1586 9.1586 k = 0.1528-0.0984-0.2623 ( 4055 PWs) bands (ev): -20.5929 -20.5929 -20.0387 -20.0387 -19.9741 -19.9741 -19.9433 -19.9433 -19.9367 -19.9367 -19.9203 -19.9203 -4.2471 -4.2471 -3.5090 -3.5090 -3.3883 -3.3883 -3.2132 -3.2132 -3.0220 -3.0220 -2.8207 -2.8207 -2.6440 -2.6440 -2.4857 -2.4857 -2.2680 -2.2680 -1.3028 -1.3028 -0.9109 -0.9109 -0.8078 -0.8078 -0.6258 -0.6258 -0.5405 -0.5405 -0.4416 -0.4416 -0.3562 -0.3562 -0.2386 -0.2386 -0.1560 -0.1560 1.8798 1.8798 1.9446 1.9446 2.0574 2.0574 2.4026 2.4026 2.5621 2.5621 2.6957 2.6957 3.1785 3.1785 3.3782 3.3782 4.5550 4.5550 4.8556 4.8556 9.2402 9.2402 k = 0.1609-0.1036-0.2761 ( 4053 PWs) bands (ev): -20.5821 -20.5821 -20.0488 -20.0488 -19.9760 -19.9760 -19.9444 -19.9444 -19.9362 -19.9362 -19.9199 -19.9199 -4.2314 -4.2314 -3.4981 -3.4981 -3.3679 -3.3679 -3.2397 -3.2397 -3.0345 -3.0345 -2.8153 -2.8153 -2.6361 -2.6361 -2.4686 -2.4686 -2.2312 -2.2312 -1.3523 -1.3523 -0.9297 -0.9297 -0.8276 -0.8276 -0.6413 -0.6413 -0.5575 -0.5575 -0.4402 -0.4402 -0.3566 -0.3566 -0.2442 -0.2442 -0.1577 -0.1577 1.8959 1.8959 1.9633 1.9633 2.0823 2.0823 2.4047 2.4047 2.5560 2.5560 2.6950 2.6950 3.1799 3.1799 3.4125 3.4125 4.5086 4.5086 4.8375 4.8375 9.3250 9.3250 k = 0.1689-0.1088-0.2899 ( 4063 PWs) bands (ev): -20.5709 -20.5709 -20.0591 -20.0591 -19.9780 -19.9780 -19.9456 -19.9456 -19.9357 -19.9357 -19.9195 -19.9195 -4.2158 -4.2158 -3.4864 -3.4864 -3.3481 -3.3481 -3.2657 -3.2657 -3.0478 -3.0478 -2.8085 -2.8085 -2.6276 -2.6276 -2.4511 -2.4511 -2.1931 -2.1931 -1.4040 -1.4040 -0.9475 -0.9475 -0.8470 -0.8470 -0.6576 -0.6576 -0.5746 -0.5746 -0.4377 -0.4377 -0.3578 -0.3578 -0.2502 -0.2502 -0.1600 -0.1600 1.9121 1.9121 1.9821 1.9821 2.1073 2.1073 2.4061 2.4061 2.5468 2.5468 2.6946 2.6946 3.1819 3.1819 3.4500 3.4500 4.4608 4.4608 4.8187 4.8187 9.4128 9.4128 k = 0.1770-0.1139-0.3037 ( 4067 PWs) bands (ev): -20.5594 -20.5594 -20.0697 -20.0697 -19.9799 -19.9799 -19.9468 -19.9468 -19.9352 -19.9352 -19.9191 -19.9191 -4.2003 -4.2003 -3.4739 -3.4739 -3.3332 -3.3332 -3.2867 -3.2867 -3.0620 -3.0620 -2.8005 -2.8005 -2.6184 -2.6184 -2.4331 -2.4331 -2.1539 -2.1539 -1.4575 -1.4575 -0.9647 -0.9647 -0.8661 -0.8661 -0.6744 -0.6744 -0.5916 -0.5916 -0.4342 -0.4342 -0.3598 -0.3598 -0.2566 -0.2566 -0.1630 -0.1630 1.9285 1.9285 2.0011 2.0011 2.1326 2.1326 2.4069 2.4069 2.5352 2.5352 2.6939 2.6939 3.1844 3.1844 3.4904 3.4904 4.4117 4.4117 4.7991 4.7991 9.5035 9.5035 k = 0.1850-0.1191-0.3176 ( 4069 PWs) bands (ev): -20.5475 -20.5475 -20.0806 -20.0806 -19.9820 -19.9820 -19.9480 -19.9480 -19.9348 -19.9348 -19.9187 -19.9187 -4.1850 -4.1850 -3.4604 -3.4604 -3.3401 -3.3401 -3.2857 -3.2857 -3.0767 -3.0767 -2.7914 -2.7914 -2.6085 -2.6085 -2.4144 -2.4144 -2.1135 -2.1135 -1.5123 -1.5123 -0.9814 -0.9814 -0.8846 -0.8846 -0.6917 -0.6917 -0.6087 -0.6087 -0.4298 -0.4298 -0.3627 -0.3627 -0.2633 -0.2633 -0.1669 -0.1669 1.9450 1.9450 2.0202 2.0202 2.1579 2.1579 2.4070 2.4070 2.5216 2.5216 2.6929 2.6929 3.1877 3.1877 3.5335 3.5335 4.3614 4.3614 4.7789 4.7789 9.5969 9.5969 k = 0.1931-0.1243-0.3314 ( 4069 PWs) bands (ev): -20.5352 -20.5352 -20.0916 -20.0916 -19.9840 -19.9840 -19.9493 -19.9493 -19.9345 -19.9345 -19.9182 -19.9182 -4.1701 -4.1701 -3.4461 -3.4461 -3.3647 -3.3647 -3.2669 -3.2669 -3.0920 -3.0920 -2.7813 -2.7813 -2.5979 -2.5979 -2.3951 -2.3951 -2.0721 -2.0721 -1.5679 -1.5679 -0.9979 -0.9979 -0.9026 -0.9026 -0.7093 -0.7093 -0.6257 -0.6257 -0.4246 -0.4246 -0.3666 -0.3666 -0.2703 -0.2703 -0.1715 -0.1715 1.9615 1.9615 2.0393 2.0393 2.1831 2.1831 2.4064 2.4064 2.5065 2.5065 2.6912 2.6912 3.1915 3.1915 3.5789 3.5789 4.3101 4.3101 4.7580 4.7580 9.6929 9.6929 k = 0.2011-0.1295-0.3452 ( 4069 PWs) bands (ev): -20.5227 -20.5227 -20.1029 -20.1029 -19.9860 -19.9860 -19.9506 -19.9506 -19.9343 -19.9343 -19.9178 -19.9178 -4.1555 -4.1555 -3.4310 -3.4310 -3.3933 -3.3933 -3.2440 -3.2440 -3.1077 -3.1077 -2.7702 -2.7702 -2.5865 -2.5865 -2.3751 -2.3751 -2.0297 -2.0297 -1.6242 -1.6242 -1.0143 -1.0143 -0.9199 -0.9199 -0.7271 -0.7271 -0.6425 -0.6425 -0.4188 -0.4188 -0.3716 -0.3716 -0.2775 -0.2775 -0.1769 -0.1769 1.9779 1.9779 2.0584 2.0584 2.2081 2.2081 2.4050 2.4050 2.4904 2.4904 2.6889 2.6889 3.1961 3.1961 3.6264 3.6264 4.2579 4.2579 4.7364 4.7364 9.7914 9.7914 k = 0.2092-0.1346-0.3590 ( 4071 PWs) bands (ev): -20.5099 -20.5099 -20.1143 -20.1143 -19.9881 -19.9881 -19.9518 -19.9518 -19.9341 -19.9341 -19.9173 -19.9173 -4.1415 -4.1415 -3.4233 -3.4233 -3.4151 -3.4151 -3.2197 -3.2197 -3.1235 -3.1235 -2.7583 -2.7583 -2.5742 -2.5742 -2.3543 -2.3543 -1.9864 -1.9864 -1.6807 -1.6807 -1.0307 -1.0307 -0.9365 -0.9365 -0.7451 -0.7451 -0.6592 -0.6592 -0.4125 -0.4125 -0.3777 -0.3777 -0.2848 -0.2848 -0.1831 -0.1831 1.9942 1.9942 2.0773 2.0773 2.2328 2.2328 2.4025 2.4025 2.4737 2.4737 2.6860 2.6860 3.2013 3.2013 3.6756 3.6756 4.2050 4.2050 4.7142 4.7142 9.8921 9.8921 k = 0.2172-0.1398-0.3728 ( 4075 PWs) bands (ev): -20.4968 -20.4968 -20.1258 -20.1258 -19.9901 -19.9901 -19.9532 -19.9532 -19.9340 -19.9340 -19.9167 -19.9167 -4.1280 -4.1280 -3.4538 -3.4538 -3.3988 -3.3988 -3.1946 -3.1946 -3.1392 -3.1392 -2.7457 -2.7457 -2.5612 -2.5612 -2.3329 -2.3329 -1.9425 -1.9425 -1.7373 -1.7373 -1.0472 -1.0472 -0.9523 -0.9523 -0.7631 -0.7631 -0.6757 -0.6757 -0.4063 -0.4063 -0.3846 -0.3846 -0.2922 -0.2922 -0.1901 -0.1901 2.0103 2.0103 2.0960 2.0960 2.2570 2.2570 2.3986 2.3986 2.4570 2.4570 2.6825 2.6825 3.2071 3.2071 3.7262 3.7262 4.1515 4.1515 4.6914 4.6914 9.9950 9.9950 k = 0.2252-0.1450-0.3866 ( 4071 PWs) bands (ev): -20.4835 -20.4835 -20.1374 -20.1374 -19.9922 -19.9922 -19.9545 -19.9545 -19.9340 -19.9340 -19.9161 -19.9161 -4.1151 -4.1151 -3.4848 -3.4848 -3.3821 -3.3821 -3.1689 -3.1689 -3.1546 -3.1546 -2.7324 -2.7324 -2.5474 -2.5474 -2.3107 -2.3107 -1.8978 -1.8978 -1.7936 -1.7936 -1.0637 -1.0637 -0.9672 -0.9672 -0.7810 -0.7810 -0.6920 -0.6920 -0.4027 -0.4027 -0.3898 -0.3898 -0.2995 -0.2995 -0.1980 -0.1980 2.0262 2.0262 2.1144 2.1144 2.2806 2.2806 2.3926 2.3926 2.4417 2.4417 2.6785 2.6785 3.2135 3.2135 3.7781 3.7781 4.0976 4.0976 4.6682 4.6682 10.1000 10.1000 k = 0.2333-0.1502-0.4004 ( 4073 PWs) bands (ev): -20.4700 -20.4700 -20.1491 -20.1491 -19.9942 -19.9942 -19.9558 -19.9558 -19.9342 -19.9342 -19.9155 -19.9155 -4.1029 -4.1029 -3.5161 -3.5161 -3.3656 -3.3656 -3.1690 -3.1690 -3.1429 -3.1429 -2.7186 -2.7186 -2.5327 -2.5327 -2.2876 -2.2876 -1.8534 -1.8534 -1.8488 -1.8488 -1.0804 -1.0804 -0.9814 -0.9814 -0.7987 -0.7987 -0.7079 -0.7079 -0.4085 -0.4085 -0.3867 -0.3867 -0.3067 -0.3067 -0.2067 -0.2067 2.0417 2.0417 2.1323 2.1323 2.3029 2.3029 2.3832 2.3832 2.4293 2.4293 2.6741 2.6741 3.2206 3.2206 3.8308 3.8308 4.0434 4.0434 4.6444 4.6444 10.2069 10.2069 k = 0.2413-0.1554-0.4142 ( 4071 PWs) bands (ev): -20.4563 -20.4563 -20.1608 -20.1608 -19.9963 -19.9963 -19.9571 -19.9571 -19.9344 -19.9344 -19.9149 -19.9149 -4.0914 -4.0914 -3.5476 -3.5476 -3.3501 -3.3501 -3.1816 -3.1816 -3.1166 -3.1166 -2.7041 -2.7041 -2.5172 -2.5172 -2.2639 -2.2639 -1.9047 -1.9047 -1.8071 -1.8071 -1.0971 -1.0971 -0.9948 -0.9948 -0.8161 -0.8161 -0.7236 -0.7236 -0.4196 -0.4196 -0.3796 -0.3796 -0.3137 -0.3137 -0.2161 -0.2161 2.0569 2.0569 2.1496 2.1496 2.3232 2.3232 2.3703 2.3703 2.4212 2.4212 2.6694 2.6694 3.2281 3.2281 3.8843 3.8843 3.9890 3.9890 4.6202 4.6202 10.3156 10.3156 k = 0.2494-0.1605-0.4280 ( 4067 PWs) bands (ev): -20.4425 -20.4425 -20.1726 -20.1726 -19.9983 -19.9983 -19.9585 -19.9585 -19.9348 -19.9348 -19.9143 -19.9143 -4.0805 -4.0805 -3.5792 -3.5792 -3.3370 -3.3370 -3.1911 -3.1911 -3.0901 -3.0901 -2.6892 -2.6892 -2.5008 -2.5008 -2.2393 -2.2393 -1.9590 -1.9590 -1.7614 -1.7614 -1.1137 -1.1137 -1.0074 -1.0074 -0.8331 -0.8331 -0.7389 -0.7389 -0.4327 -0.4327 -0.3718 -0.3718 -0.3205 -0.3205 -0.2264 -0.2264 2.0715 2.0715 2.1659 2.1659 2.3364 2.3364 2.3588 2.3588 2.4178 2.4178 2.6645 2.6645 3.2362 3.2362 3.9347 3.9347 3.9383 3.9383 4.5956 4.5956 10.4259 10.4259 k = 0.2574-0.1657-0.4418 ( 4073 PWs) bands (ev): -20.4286 -20.4286 -20.1842 -20.1842 -20.0003 -20.0003 -19.9598 -19.9598 -19.9353 -19.9353 -19.9136 -19.9136 -4.0704 -4.0704 -3.6109 -3.6109 -3.3282 -3.3282 -3.1954 -3.1954 -3.0636 -3.0636 -2.6739 -2.6739 -2.4836 -2.4836 -2.2140 -2.2140 -2.0123 -2.0123 -1.7158 -1.7158 -1.1304 -1.1304 -1.0193 -1.0193 -0.8495 -0.8495 -0.7539 -0.7539 -0.4476 -0.4476 -0.3639 -0.3639 -0.3271 -0.3271 -0.2374 -0.2374 2.0855 2.0855 2.1808 2.1808 2.3283 2.3283 2.3629 2.3629 2.4197 2.4197 2.6594 2.6594 3.2446 3.2446 3.8808 3.8808 3.9923 3.9923 4.5707 4.5707 10.5379 10.5379 k = 0.2655-0.1709-0.4556 ( 4077 PWs) bands (ev): -20.4146 -20.4146 -20.1959 -20.1959 -20.0023 -20.0023 -19.9612 -19.9612 -19.9358 -19.9358 -19.9130 -19.9130 -4.0609 -4.0609 -3.6424 -3.6424 -3.3257 -3.3257 -3.1926 -3.1926 -3.0372 -3.0372 -2.6582 -2.6582 -2.4657 -2.4657 -2.1881 -2.1881 -2.0644 -2.0644 -1.6703 -1.6703 -1.1468 -1.1468 -1.0303 -1.0303 -0.8651 -0.8651 -0.7684 -0.7684 -0.4639 -0.4639 -0.3564 -0.3564 -0.3331 -0.3331 -0.2490 -0.2490 2.0988 2.0988 2.1932 2.1932 2.3119 2.3119 2.3694 2.3694 2.4279 2.4279 2.6543 2.6543 3.2535 3.2535 3.8273 3.8273 4.0465 4.0465 4.5455 4.5455 10.6513 10.6513 k = 0.2735-0.1761-0.4694 ( 4073 PWs) bands (ev): -20.4005 -20.4005 -20.2074 -20.2074 -20.0042 -20.0042 -19.9625 -19.9625 -19.9365 -19.9365 -19.9123 -19.9123 -4.0522 -4.0522 -3.6739 -3.6739 -3.3299 -3.3299 -3.1824 -3.1824 -3.0108 -3.0108 -2.6422 -2.6422 -2.4471 -2.4471 -2.1617 -2.1617 -2.1146 -2.1146 -1.6255 -1.6255 -1.1631 -1.1631 -1.0407 -1.0407 -0.8797 -0.8797 -0.7824 -0.7824 -0.4816 -0.4816 -0.3506 -0.3506 -0.3376 -0.3376 -0.2612 -0.2612 2.1112 2.1112 2.2013 2.2013 2.2973 2.2973 2.3714 2.3714 2.4414 2.4414 2.6492 2.6492 3.2627 3.2627 3.7744 3.7744 4.1006 4.1006 4.5202 4.5202 10.7660 10.7660 k = 0.2816-0.1813-0.4832 ( 4063 PWs) bands (ev): -20.3864 -20.3864 -20.2188 -20.2188 -20.0062 -20.0062 -19.9638 -19.9638 -19.9373 -19.9373 -19.9117 -19.9117 -4.0441 -4.0441 -3.7052 -3.7052 -3.3391 -3.3391 -3.1663 -3.1663 -2.9845 -2.9845 -2.6259 -2.6259 -2.4280 -2.4280 -2.1654 -2.1654 -2.1324 -2.1324 -1.5816 -1.5816 -1.1792 -1.1792 -1.0504 -1.0504 -0.8930 -0.8930 -0.7960 -0.7960 -0.5007 -0.5007 -0.3505 -0.3505 -0.3368 -0.3368 -0.2734 -0.2734 2.1225 2.1225 2.2019 2.2019 2.2888 2.2888 2.3705 2.3705 2.4576 2.4576 2.6441 2.6441 3.2721 3.2721 3.7225 3.7225 4.1544 4.1544 4.4947 4.4947 10.8820 10.8820 k = 0.2896-0.1864-0.4970 ( 4065 PWs) bands (ev): -20.3723 -20.3723 -20.2301 -20.2301 -20.0081 -20.0081 -19.9651 -19.9651 -19.9382 -19.9382 -19.9110 -19.9110 -4.0367 -4.0367 -3.7363 -3.7363 -3.3517 -3.3517 -3.1463 -3.1463 -2.9586 -2.9586 -2.6094 -2.6094 -2.4088 -2.4088 -2.2114 -2.2114 -2.1050 -2.1050 -1.5390 -1.5390 -1.1949 -1.1949 -1.0593 -1.0593 -0.9048 -0.9048 -0.8089 -0.8089 -0.5211 -0.5211 -0.3551 -0.3551 -0.3331 -0.3331 -0.2848 -0.2848 2.1320 2.1320 2.1935 2.1935 2.2885 2.2885 2.3684 2.3684 2.4745 2.4745 2.6393 2.6393 3.2817 3.2817 3.6716 3.6716 4.2077 4.2077 4.4691 4.4691 10.9991 10.9991 k = 0.2976-0.1916-0.5108 ( 4073 PWs) bands (ev): -20.3582 -20.3582 -20.2412 -20.2412 -20.0099 -20.0099 -19.9664 -19.9664 -19.9391 -19.9391 -19.9104 -19.9104 -4.0299 -4.0299 -3.7670 -3.7670 -3.3662 -3.3662 -3.1237 -3.1237 -2.9331 -2.9331 -2.5927 -2.5927 -2.3909 -2.3909 -2.2543 -2.2543 -2.0763 -2.0763 -1.4983 -1.4983 -1.2104 -1.2104 -1.0676 -1.0676 -0.9146 -0.9146 -0.8212 -0.8212 -0.5427 -0.5427 -0.3607 -0.3607 -0.3324 -0.3324 -0.2930 -0.2930 2.1383 2.1383 2.1800 2.1800 2.2942 2.2942 2.3658 2.3658 2.4911 2.4911 2.6346 2.6346 3.2915 3.2915 3.6220 3.6220 4.2604 4.2604 4.4435 4.4435 11.1173 11.1173 k = 0.3057-0.1968-0.5247 ( 4065 PWs) bands (ev): -20.3442 -20.3442 -20.2521 -20.2521 -20.0118 -20.0118 -19.9677 -19.9677 -19.9402 -19.9402 -19.9098 -19.9098 -4.0236 -4.0236 -3.7974 -3.7974 -3.3817 -3.3817 -3.0995 -3.0995 -2.9080 -2.9080 -2.5759 -2.5759 -2.3786 -2.3786 -2.2892 -2.2892 -2.0471 -2.0471 -1.4601 -1.4601 -1.2254 -1.2254 -1.0752 -1.0752 -0.9221 -0.9221 -0.8325 -0.8325 -0.5654 -0.5654 -0.3665 -0.3665 -0.3385 -0.3385 -0.2948 -0.2948 2.1354 2.1354 2.1703 2.1703 2.3024 2.3024 2.3635 2.3635 2.5071 2.5071 2.6304 2.6304 3.3013 3.3013 3.5741 3.5741 4.3122 4.3122 4.4180 4.4180 11.2365 11.2365 k = 0.3137-0.2020-0.5385 ( 4071 PWs) bands (ev): -20.3302 -20.3302 -20.2628 -20.2628 -20.0135 -20.0135 -19.9690 -19.9690 -19.9414 -19.9414 -19.9093 -19.9093 -4.0179 -4.0179 -3.8273 -3.8273 -3.3976 -3.3976 -3.0743 -3.0743 -2.8835 -2.8835 -2.5591 -2.5591 -2.3852 -2.3852 -2.3027 -2.3027 -2.0173 -2.0173 -1.4253 -1.4253 -1.2401 -1.2401 -1.0822 -1.0822 -0.9269 -0.9269 -0.8427 -0.8427 -0.5892 -0.5892 -0.3727 -0.3727 -0.3501 -0.3501 -0.2916 -0.2916 2.1192 2.1192 2.1706 2.1706 2.3108 2.3108 2.3620 2.3620 2.5218 2.5218 2.6267 2.6267 3.3111 3.3111 3.5281 3.5281 4.3626 4.3626 4.3932 4.3932 11.3565 11.3565 k = 0.3218-0.2071-0.5523 ( 4065 PWs) bands (ev): -20.3164 -20.3164 -20.2733 -20.2733 -20.0153 -20.0153 -19.9702 -19.9702 -19.9427 -19.9427 -19.9088 -19.9088 -4.0128 -4.0128 -3.8567 -3.8567 -3.4138 -3.4138 -3.0484 -3.0484 -2.8596 -2.8596 -2.5422 -2.5422 -2.4134 -2.4134 -2.2920 -2.2920 -1.9871 -1.9871 -1.3944 -1.3944 -1.2544 -1.2544 -1.0885 -1.0885 -0.9289 -0.9289 -0.8511 -0.8511 -0.6140 -0.6140 -0.3804 -0.3804 -0.3631 -0.3631 -0.2862 -0.2862 2.0968 2.0968 2.1747 2.1747 2.3176 2.3176 2.3623 2.3623 2.5352 2.5352 2.6236 2.6236 3.3209 3.3209 3.4842 3.4842 4.3667 4.3667 4.4139 4.4139 11.4773 11.4773 k = 0.3298-0.2123-0.5661 ( 4065 PWs) bands (ev): -20.3027 -20.3027 -20.2834 -20.2834 -20.0170 -20.0170 -19.9714 -19.9714 -19.9441 -19.9441 -19.9083 -19.9083 -4.0081 -4.0081 -3.8854 -3.8854 -3.4299 -3.4299 -3.0221 -3.0221 -2.8364 -2.8364 -2.5254 -2.5254 -2.4488 -2.4488 -2.2715 -2.2715 -1.9565 -1.9565 -1.3683 -1.3683 -1.2682 -1.2682 -1.0942 -1.0942 -0.9285 -0.9285 -0.8566 -0.8566 -0.6397 -0.6397 -0.3923 -0.3923 -0.3735 -0.3735 -0.2801 -0.2801 2.0723 2.0723 2.1789 2.1789 2.3217 2.3217 2.3650 2.3650 2.5469 2.5469 2.6213 2.6213 3.3306 3.3306 3.4427 3.4427 4.3422 4.3422 4.4623 4.4623 11.5987 11.5987 k = 0.3379-0.2175-0.5799 ( 4063 PWs) bands (ev): -20.2933 -20.2933 -20.2892 -20.2892 -20.0186 -20.0186 -19.9726 -19.9726 -19.9456 -19.9456 -19.9079 -19.9079 -4.0038 -4.0038 -3.9135 -3.9135 -3.4458 -3.4458 -2.9958 -2.9958 -2.8140 -2.8140 -2.5089 -2.5089 -2.4848 -2.4848 -2.2474 -2.2474 -1.9257 -1.9257 -1.3474 -1.3474 -1.2816 -1.2816 -1.0994 -1.0994 -0.9275 -0.9275 -0.8572 -0.8572 -0.6661 -0.6661 -0.4088 -0.4088 -0.3801 -0.3801 -0.2738 -0.2738 2.0469 2.0469 2.1824 2.1824 2.3226 2.3226 2.3702 2.3702 2.5565 2.5565 2.6201 2.6201 3.3401 3.3401 3.4039 3.4039 4.3178 4.3178 4.5097 4.5097 11.7207 11.7207 k = 0.3459-0.2227-0.5937 ( 4061 PWs) bands (ev): -20.3028 -20.3028 -20.2760 -20.2760 -20.0202 -20.0202 -19.9737 -19.9737 -19.9472 -19.9472 -19.9075 -19.9075 -4.0000 -4.0000 -3.9409 -3.9409 -3.4613 -3.4613 -2.9695 -2.9695 -2.7925 -2.7925 -2.5215 -2.5215 -2.4911 -2.4911 -2.2214 -2.2214 -1.8947 -1.8947 -1.3321 -1.3321 -1.2944 -1.2944 -1.1040 -1.1040 -0.9279 -0.9279 -0.8506 -0.8506 -0.6932 -0.6932 -0.4276 -0.4276 -0.3850 -0.3850 -0.2677 -0.2677 2.0211 2.0211 2.1849 2.1849 2.3211 2.3211 2.3771 2.3771 2.5640 2.5640 2.6202 2.6202 3.3492 3.3492 3.3681 3.3681 4.2938 4.2938 4.5556 4.5556 11.8430 11.8430 k = 0.3540-0.2279-0.6075 ( 4051 PWs) bands (ev): -20.3120 -20.3120 -20.2629 -20.2629 -20.0217 -20.0217 -19.9748 -19.9748 -19.9489 -19.9489 -19.9072 -19.9072 -3.9966 -3.9966 -3.9674 -3.9674 -3.4765 -3.4765 -2.9435 -2.9435 -2.7720 -2.7720 -2.5554 -2.5554 -2.4748 -2.4748 -2.1941 -2.1941 -1.8637 -1.8637 -1.3225 -1.3225 -1.3062 -1.3062 -1.1081 -1.1081 -0.9311 -0.9311 -0.8360 -0.8360 -0.7208 -0.7208 -0.4476 -0.4476 -0.3890 -0.3890 -0.2619 -0.2619 1.9953 1.9953 2.1861 2.1861 2.3179 2.3179 2.3846 2.3846 2.5692 2.5692 2.6216 2.6216 3.3344 3.3344 3.3591 3.3591 4.2704 4.2704 4.6001 4.6001 11.9652 11.9652 k = 0.3620-0.2330-0.6213 ( 4051 PWs) bands (ev): -20.3209 -20.3209 -20.2501 -20.2501 -20.0232 -20.0232 -19.9758 -19.9758 -19.9508 -19.9508 -19.9069 -19.9069 -3.9939 -3.9939 -3.9927 -3.9927 -3.4911 -3.4911 -2.9179 -2.9179 -2.7525 -2.7525 -2.5878 -2.5878 -2.4585 -2.4585 -2.1659 -2.1659 -1.8328 -1.8328 -1.3232 -1.3232 -1.3117 -1.3117 -1.1118 -1.1118 -0.9365 -0.9365 -0.8147 -0.8147 -0.7486 -0.7486 -0.4684 -0.4684 -0.3924 -0.3924 -0.2564 -0.2564 1.9695 1.9695 2.1862 2.1862 2.3136 2.3136 2.3922 2.3922 2.5724 2.5724 2.6242 2.6242 3.3048 3.3048 3.3678 3.3678 4.2476 4.2476 4.6428 4.6428 12.0863 12.0863 k = 0.3700-0.2382-0.6351 ( 4053 PWs) bands (ev): -20.3293 -20.3293 -20.2376 -20.2376 -20.0246 -20.0246 -19.9768 -19.9768 -19.9527 -19.9527 -19.9066 -19.9066 -4.0177 -4.0177 -3.9908 -3.9908 -3.5052 -3.5052 -2.8930 -2.8930 -2.7344 -2.7344 -2.6182 -2.6182 -2.4424 -2.4424 -2.1367 -2.1367 -1.8023 -1.8023 -1.3337 -1.3337 -1.3106 -1.3106 -1.1152 -1.1152 -0.9433 -0.9433 -0.7908 -0.7908 -0.7744 -0.7744 -0.4899 -0.4899 -0.3952 -0.3952 -0.2514 -0.2514 1.9439 1.9439 2.1851 2.1851 2.3085 2.3085 2.3994 2.3994 2.5741 2.5741 2.6274 2.6274 3.2782 3.2782 3.3763 3.3763 4.2256 4.2256 4.6838 4.6838 12.1766 12.1766 k = 0.6300 0.0345-0.4461 ( 4053 PWs) bands (ev): -20.3293 -20.3293 -20.2376 -20.2376 -20.0246 -20.0246 -19.9768 -19.9768 -19.9527 -19.9527 -19.9066 -19.9066 -4.0177 -4.0177 -3.9908 -3.9908 -3.5052 -3.5052 -2.8930 -2.8930 -2.7344 -2.7344 -2.6182 -2.6182 -2.4424 -2.4424 -2.1367 -2.1367 -1.8023 -1.8023 -1.3337 -1.3337 -1.3106 -1.3106 -1.1152 -1.1152 -0.9433 -0.9433 -0.7908 -0.7908 -0.7744 -0.7744 -0.4899 -0.4899 -0.3952 -0.3952 -0.2513 -0.2513 1.9439 1.9439 2.1852 2.1852 2.3085 2.3085 2.3994 2.3994 2.5741 2.5741 2.6274 2.6274 3.2782 3.2782 3.3763 3.3763 4.2256 4.2256 4.6838 4.6838 12.1766 12.1766 k = 0.6218 0.0494-0.4461 ( 4055 PWs) bands (ev): -20.3374 -20.3374 -20.2254 -20.2254 -20.0259 -20.0259 -19.9778 -19.9778 -19.9548 -19.9548 -19.9064 -19.9064 -4.0415 -4.0415 -3.9883 -3.9883 -3.5187 -3.5187 -2.8685 -2.8685 -2.7180 -2.7180 -2.6463 -2.6463 -2.4264 -2.4264 -2.1066 -2.1066 -1.7719 -1.7719 -1.3454 -1.3454 -1.3106 -1.3106 -1.1183 -1.1183 -0.9507 -0.9507 -0.8069 -0.8069 -0.7569 -0.7569 -0.5121 -0.5121 -0.3976 -0.3976 -0.2466 -0.2466 1.9185 1.9185 2.1829 2.1829 2.3026 2.3026 2.4061 2.4061 2.5749 2.5749 2.6309 2.6309 3.2547 3.2547 3.3846 3.3846 4.2041 4.2041 4.7232 4.7232 12.1344 12.1344 k = 0.6137 0.0643-0.4461 ( 4057 PWs) bands (ev): -20.3451 -20.3451 -20.2134 -20.2134 -20.0272 -20.0272 -19.9787 -19.9787 -19.9570 -19.9570 -19.9062 -19.9062 -4.0642 -4.0642 -3.9861 -3.9861 -3.5317 -3.5317 -2.8449 -2.8449 -2.7063 -2.7063 -2.6688 -2.6688 -2.4108 -2.4108 -2.0757 -2.0757 -1.7422 -1.7422 -1.3572 -1.3572 -1.3122 -1.3122 -1.1213 -1.1213 -0.9585 -0.9585 -0.8347 -0.8347 -0.7255 -0.7255 -0.5346 -0.5346 -0.3996 -0.3996 -0.2423 -0.2423 1.8937 1.8937 2.1794 2.1794 2.2962 2.2962 2.4121 2.4121 2.5752 2.5752 2.6343 2.6343 3.2345 3.2345 3.3925 3.3925 4.1836 4.1836 4.7606 4.7606 12.0948 12.0948 k = 0.6056 0.0792-0.4461 ( 4055 PWs) bands (ev): -20.3523 -20.3523 -20.2019 -20.2019 -20.0284 -20.0284 -19.9796 -19.9796 -19.9593 -19.9593 -19.9061 -19.9061 -4.0857 -4.0857 -3.9842 -3.9842 -3.5439 -3.5439 -2.8223 -2.8223 -2.7120 -2.7120 -2.6734 -2.6734 -2.3957 -2.3957 -2.0442 -2.0442 -1.7136 -1.7136 -1.3690 -1.3690 -1.3144 -1.3144 -1.1244 -1.1244 -0.9665 -0.9665 -0.8621 -0.8621 -0.6928 -0.6928 -0.5573 -0.5573 -0.4011 -0.4011 -0.2384 -0.2384 1.8696 1.8696 2.1748 2.1748 2.2895 2.2895 2.4175 2.4175 2.5753 2.5753 2.6375 2.6375 3.2173 3.2173 3.4000 3.4000 4.1641 4.1641 4.7958 4.7958 12.0579 12.0579 k = 0.5975 0.0941-0.4461 ( 4057 PWs) bands (ev): -20.3591 -20.3591 -20.1909 -20.1909 -20.0295 -20.0295 -19.9805 -19.9805 -19.9617 -19.9617 -19.9060 -19.9060 -4.1059 -4.1059 -3.9824 -3.9824 -3.5553 -3.5553 -2.8009 -2.8009 -2.7314 -2.7314 -2.6633 -2.6633 -2.3811 -2.3811 -2.0123 -2.0123 -1.6863 -1.6863 -1.3810 -1.3810 -1.3167 -1.3167 -1.1276 -1.1276 -0.9745 -0.9745 -0.8886 -0.8886 -0.6602 -0.6602 -0.5799 -0.5799 -0.4021 -0.4021 -0.2350 -0.2350 1.8464 1.8464 2.1691 2.1691 2.2826 2.2826 2.4222 2.4222 2.5753 2.5753 2.6404 2.6404 3.2030 3.2030 3.4070 3.4070 4.1457 4.1457 4.8289 4.8289 12.0238 12.0238 k = 0.5893 0.1090-0.4461 ( 4053 PWs) bands (ev): -20.3653 -20.3653 -20.1803 -20.1803 -20.0306 -20.0306 -19.9813 -19.9813 -19.9641 -19.9641 -19.9059 -19.9059 -4.1248 -4.1248 -3.9809 -3.9809 -3.5659 -3.5659 -2.7807 -2.7807 -2.7521 -2.7521 -2.6513 -2.6513 -2.3671 -2.3671 -1.9799 -1.9799 -1.6608 -1.6608 -1.3932 -1.3932 -1.3183 -1.3183 -1.1313 -1.1313 -0.9827 -0.9827 -0.9135 -0.9135 -0.6296 -0.6296 -0.6008 -0.6008 -0.4028 -0.4028 -0.2319 -0.2319 1.8242 1.8242 2.1624 2.1624 2.2760 2.2760 2.4263 2.4263 2.5754 2.5754 2.6429 2.6429 3.1913 3.1913 3.4135 3.4135 4.1285 4.1285 4.8596 4.8596 11.9923 11.9923 k = 0.5812 0.1239-0.4461 ( 4063 PWs) bands (ev): -20.3711 -20.3711 -20.1703 -20.1703 -20.0316 -20.0316 -19.9820 -19.9820 -19.9666 -19.9666 -19.9059 -19.9059 -4.1422 -4.1422 -3.9796 -3.9796 -3.5757 -3.5757 -2.7716 -2.7716 -2.7619 -2.7619 -2.6398 -2.6398 -2.3539 -2.3539 -1.9472 -1.9472 -1.6374 -1.6374 -1.4058 -1.4058 -1.3187 -1.3187 -1.1356 -1.1356 -0.9912 -0.9912 -0.9364 -0.9364 -0.6282 -0.6282 -0.5934 -0.5934 -0.4031 -0.4031 -0.2293 -0.2293 1.8031 1.8031 2.1548 2.1548 2.2696 2.2696 2.4296 2.4296 2.5756 2.5756 2.6451 2.6451 3.1818 3.1818 3.4195 3.4195 4.1125 4.1125 4.8879 4.8879 11.9635 11.9635 k = 0.5731 0.1388-0.4461 ( 4061 PWs) bands (ev): -20.3764 -20.3764 -20.1608 -20.1608 -20.0324 -20.0324 -19.9827 -19.9827 -19.9691 -19.9691 -19.9058 -19.9058 -4.1582 -4.1582 -3.9785 -3.9785 -3.5846 -3.5846 -2.7893 -2.7893 -2.7446 -2.7446 -2.6292 -2.6292 -2.3414 -2.3414 -1.9143 -1.9143 -1.6166 -1.6166 -1.4190 -1.4190 -1.3173 -1.3173 -1.1409 -1.1409 -1.0000 -1.0000 -0.9564 -0.9564 -0.6488 -0.6488 -0.5650 -0.5650 -0.4030 -0.4030 -0.2270 -0.2270 1.7834 1.7834 2.1465 2.1465 2.2637 2.2637 2.4325 2.4325 2.5758 2.5758 2.6471 2.6471 3.1743 3.1743 3.4251 3.4251 4.0979 4.0979 4.9138 4.9138 11.9375 11.9375 k = 0.5650 0.1537-0.4461 ( 4057 PWs) bands (ev): -20.3811 -20.3811 -20.1520 -20.1520 -20.0333 -20.0333 -19.9834 -19.9834 -19.9716 -19.9716 -19.9058 -19.9058 -4.1726 -4.1726 -3.9775 -3.9775 -3.5926 -3.5926 -2.8053 -2.8053 -2.7289 -2.7289 -2.6196 -2.6196 -2.3298 -2.3298 -1.8813 -1.8813 -1.5987 -1.5987 -1.4331 -1.4331 -1.3138 -1.3138 -1.1474 -1.1474 -1.0092 -1.0092 -0.9733 -0.9733 -0.6696 -0.6696 -0.5377 -0.5377 -0.4027 -0.4027 -0.2250 -0.2250 1.7651 1.7651 2.1379 2.1379 2.2585 2.2585 2.4348 2.4348 2.5762 2.5762 2.6488 2.6488 3.1685 3.1685 3.4301 3.4301 4.0846 4.0846 4.9371 4.9371 11.9142 11.9142 k = 0.5569 0.1685-0.4461 ( 4058 PWs) bands (ev): -20.3854 -20.3854 -20.1439 -20.1439 -20.0340 -20.0340 -19.9840 -19.9840 -19.9741 -19.9741 -19.9058 -19.9058 -4.1855 -4.1855 -3.9767 -3.9767 -3.5998 -3.5998 -2.8195 -2.8195 -2.7148 -2.7148 -2.6112 -2.6112 -2.3193 -2.3193 -1.8484 -1.8484 -1.5840 -1.5840 -1.4482 -1.4482 -1.3081 -1.3081 -1.1549 -1.1549 -1.0183 -1.0183 -0.9871 -0.9871 -0.6894 -0.6894 -0.5127 -0.5127 -0.4021 -0.4021 -0.2234 -0.2234 1.7485 1.7485 2.1291 2.1291 2.2539 2.2539 2.4367 2.4367 2.5766 2.5766 2.6504 2.6504 3.1641 3.1641 3.4345 3.4345 4.0727 4.0727 4.9578 4.9578 11.8936 11.8936 k = 0.5487 0.1834-0.4461 ( 4056 PWs) bands (ev): -20.3890 -20.3890 -20.1365 -20.1365 -20.0346 -20.0346 -19.9847 -19.9847 -19.9763 -19.9763 -19.9058 -19.9058 -4.1968 -4.1968 -3.9760 -3.9760 -3.6060 -3.6060 -2.8317 -2.8317 -2.7024 -2.7024 -2.6038 -2.6038 -2.3099 -2.3099 -1.8157 -1.8157 -1.5725 -1.5725 -1.4645 -1.4645 -1.3003 -1.3003 -1.1633 -1.1633 -1.0265 -1.0265 -0.9985 -0.9985 -0.7078 -0.7078 -0.4904 -0.4904 -0.4012 -0.4012 -0.2221 -0.2221 1.7338 1.7338 2.1206 2.1206 2.2501 2.2501 2.4382 2.4382 2.5771 2.5771 2.6518 2.6518 3.1607 3.1607 3.4384 3.4384 4.0623 4.0623 4.9759 4.9759 11.8758 11.8758 k = 0.5406 0.1983-0.4461 ( 4060 PWs) bands (ev): -20.3922 -20.3922 -20.1301 -20.1301 -20.0352 -20.0352 -19.9854 -19.9854 -19.9783 -19.9783 -19.9058 -19.9058 -4.2064 -4.2064 -3.9755 -3.9755 -3.6113 -3.6113 -2.8421 -2.8421 -2.6919 -2.6919 -2.5977 -2.5977 -2.3017 -2.3017 -1.7837 -1.7837 -1.5639 -1.5639 -1.4820 -1.4820 -1.2910 -1.2910 -1.1720 -1.1720 -1.0333 -1.0333 -1.0081 -1.0081 -0.7243 -0.7243 -0.4713 -0.4713 -0.4001 -0.4001 -0.2210 -0.2210 1.7210 1.7210 2.1128 2.1128 2.2469 2.2469 2.4393 2.4393 2.5775 2.5775 2.6529 2.6529 3.1583 3.1583 3.4417 3.4417 4.0535 4.0535 4.9913 4.9913 11.8607 11.8607 k = 0.5325 0.2132-0.4461 ( 4064 PWs) bands (ev): -20.3947 -20.3947 -20.1246 -20.1246 -20.0357 -20.0357 -19.9861 -19.9861 -19.9799 -19.9799 -19.9059 -19.9059 -4.2143 -4.2143 -3.9750 -3.9750 -3.6157 -3.6157 -2.8506 -2.8506 -2.6832 -2.6832 -2.5926 -2.5926 -2.2948 -2.2948 -1.7527 -1.7527 -1.5577 -1.5577 -1.5008 -1.5008 -1.2810 -1.2810 -1.1804 -1.1804 -1.0384 -1.0384 -1.0165 -1.0165 -0.7386 -0.7386 -0.4556 -0.4556 -0.3988 -0.3988 -0.2202 -0.2202 1.7103 1.7103 2.1058 2.1058 2.2443 2.2443 2.4402 2.4402 2.5779 2.5779 2.6539 2.6539 3.1565 3.1565 3.4444 3.4444 4.0462 4.0462 5.0039 5.0039 11.8484 11.8484 k = 0.5244 0.2281-0.4461 ( 4068 PWs) bands (ev): -20.3967 -20.3967 -20.1202 -20.1202 -20.0361 -20.0361 -19.9868 -19.9868 -19.9811 -19.9811 -19.9059 -19.9059 -4.2204 -4.2204 -3.9747 -3.9747 -3.6190 -3.6190 -2.8572 -2.8572 -2.6764 -2.6764 -2.5887 -2.5887 -2.2894 -2.2894 -1.7235 -1.7235 -1.5537 -1.5537 -1.5203 -1.5203 -1.2714 -1.2714 -1.1878 -1.1878 -1.0416 -1.0416 -1.0239 -1.0239 -0.7501 -0.7501 -0.4436 -0.4436 -0.3973 -0.3973 -0.2195 -0.2195 1.7018 1.7018 2.1002 2.1002 2.2423 2.2423 2.4408 2.4408 2.5782 2.5782 2.6546 2.6546 3.1553 3.1553 3.4465 3.4465 4.0404 4.0404 5.0138 5.0138 11.8388 11.8388 k = 0.5162 0.2430-0.4461 ( 4064 PWs) bands (ev): -20.3982 -20.3982 -20.1170 -20.1170 -20.0363 -20.0363 -19.9875 -19.9875 -19.9819 -19.9819 -19.9059 -19.9059 -4.2248 -4.2248 -3.9744 -3.9744 -3.6214 -3.6214 -2.8619 -2.8619 -2.6715 -2.6715 -2.5859 -2.5859 -2.2854 -2.2854 -1.6973 -1.6973 -1.5515 -1.5515 -1.5389 -1.5389 -1.2633 -1.2633 -1.1935 -1.1935 -1.0433 -1.0433 -1.0301 -1.0301 -0.7587 -0.7587 -0.4353 -0.4353 -0.3958 -0.3958 -0.2191 -0.2191 1.6957 1.6957 2.0959 2.0959 2.2410 2.2410 2.4412 2.4412 2.5784 2.5784 2.6552 2.6552 3.1545 3.1545 3.4480 3.4480 4.0363 4.0363 5.0209 5.0209 11.8319 11.8319 k = 0.5081 0.2579-0.4461 ( 4072 PWs) bands (ev): -20.3990 -20.3990 -20.1150 -20.1150 -20.0365 -20.0365 -19.9880 -19.9880 -19.9824 -19.9824 -19.9059 -19.9059 -4.2275 -4.2275 -3.9743 -3.9743 -3.6229 -3.6229 -2.8648 -2.8648 -2.6685 -2.6685 -2.5842 -2.5842 -2.2830 -2.2830 -1.6773 -1.6773 -1.5565 -1.5565 -1.5483 -1.5483 -1.2579 -1.2579 -1.1972 -1.1972 -1.0437 -1.0437 -1.0346 -1.0346 -0.7639 -0.7639 -0.4305 -0.4305 -0.3946 -0.3946 -0.2189 -0.2189 1.6920 1.6920 2.0933 2.0933 2.2401 2.2401 2.4415 2.4415 2.5786 2.5786 2.6555 2.6555 3.1541 3.1541 3.4489 3.4489 4.0339 4.0339 5.0251 5.0251 11.8278 11.8278 k = 0.5000 0.2728-0.4461 ( 4074 PWs) bands (ev): -20.3993 -20.3993 -20.1143 -20.1143 -20.0366 -20.0366 -19.9882 -19.9882 -19.9825 -19.9825 -19.9059 -19.9059 -4.2284 -4.2284 -3.9743 -3.9743 -3.6234 -3.6234 -2.8657 -2.8657 -2.6675 -2.6675 -2.5837 -2.5837 -2.2822 -2.2822 -1.6693 -1.6693 -1.5626 -1.5626 -1.5483 -1.5483 -1.2560 -1.2560 -1.1984 -1.1984 -1.0435 -1.0435 -1.0364 -1.0364 -0.7657 -0.7657 -0.4290 -0.4290 -0.3942 -0.3942 -0.2188 -0.2188 1.6907 1.6907 2.0924 2.0924 2.2398 2.2398 2.4415 2.4415 2.5787 2.5787 2.6556 2.6556 3.1539 3.1539 3.4492 3.4492 4.0330 4.0330 5.0265 5.0265 11.8264 11.8264 k = 0.5000 0.2728-0.4461 ( 4074 PWs) bands (ev): -20.3993 -20.3993 -20.1143 -20.1143 -20.0366 -20.0366 -19.9882 -19.9882 -19.9825 -19.9825 -19.9059 -19.9059 -4.2284 -4.2284 -3.9743 -3.9743 -3.6234 -3.6234 -2.8657 -2.8657 -2.6675 -2.6675 -2.5837 -2.5837 -2.2822 -2.2822 -1.6693 -1.6693 -1.5626 -1.5626 -1.5483 -1.5483 -1.2560 -1.2560 -1.1984 -1.1984 -1.0435 -1.0435 -1.0364 -1.0364 -0.7657 -0.7657 -0.4290 -0.4290 -0.3942 -0.3942 -0.2188 -0.2188 1.6907 1.6907 2.0924 2.0924 2.2398 2.2398 2.4415 2.4415 2.5787 2.5787 2.6556 2.6556 3.1539 3.1539 3.4492 3.4492 4.0330 4.0330 5.0265 5.0265 11.8264 11.8264 k = 0.5087 0.2775-0.4335 ( 4074 PWs) bands (ev): -20.3990 -20.3990 -20.1150 -20.1150 -20.0365 -20.0365 -19.9880 -19.9880 -19.9823 -19.9823 -19.9059 -19.9059 -4.2275 -4.2275 -3.9743 -3.9743 -3.6230 -3.6230 -2.8649 -2.8649 -2.6680 -2.6680 -2.5847 -2.5847 -2.2830 -2.2830 -1.6700 -1.6700 -1.5787 -1.5787 -1.5335 -1.5335 -1.2568 -1.2568 -1.1969 -1.1969 -1.0482 -1.0482 -1.0301 -1.0301 -0.7651 -0.7651 -0.4296 -0.4296 -0.3960 -0.3960 -0.2189 -0.2189 1.6921 1.6921 2.0934 2.0934 2.2402 2.2402 2.4415 2.4415 2.5785 2.5785 2.6554 2.6554 3.1541 3.1541 3.4490 3.4490 4.0339 4.0339 5.0250 5.0250 11.8279 11.8279 k = 0.5173 0.2822-0.4209 ( 4072 PWs) bands (ev): -20.3982 -20.3982 -20.1172 -20.1172 -20.0363 -20.0363 -19.9875 -19.9875 -19.9816 -19.9816 -19.9059 -19.9059 -4.2247 -4.2247 -3.9742 -3.9742 -3.6217 -3.6217 -2.8624 -2.8624 -2.6693 -2.6693 -2.5879 -2.5879 -2.2852 -2.2852 -1.6721 -1.6721 -1.6015 -1.6015 -1.5147 -1.5147 -1.2589 -1.2589 -1.1924 -1.1924 -1.0538 -1.0538 -1.0196 -1.0196 -0.7632 -0.7632 -0.4316 -0.4316 -0.4013 -0.4013 -0.2192 -0.2192 1.6962 1.6962 2.0962 2.0962 2.2414 2.2414 2.4413 2.4413 2.5782 2.5782 2.6547 2.6547 3.1544 3.1544 3.4484 3.4484 4.0364 4.0364 5.0205 5.0205 11.8321 11.8321 k = 0.5260 0.2869-0.4083 ( 4069 PWs) bands (ev): -20.3969 -20.3969 -20.1207 -20.1207 -20.0360 -20.0360 -19.9869 -19.9869 -19.9804 -19.9804 -19.9059 -19.9059 -4.2202 -4.2202 -3.9742 -3.9742 -3.6196 -3.6196 -2.8582 -2.8582 -2.6715 -2.6715 -2.5931 -2.5931 -2.2889 -2.2889 -1.6757 -1.6757 -1.6257 -1.6257 -1.4969 -1.4969 -1.2614 -1.2614 -1.1859 -1.1859 -1.0583 -1.0583 -1.0072 -1.0072 -0.7601 -0.7601 -0.4362 -0.4362 -0.4088 -0.4088 -0.2196 -0.2196 1.7028 1.7028 2.1008 2.1008 2.2433 2.2433 2.4410 2.4410 2.5776 2.5776 2.6536 2.6536 3.1551 3.1551 3.4474 3.4474 4.0405 4.0405 5.0129 5.0129 11.8392 11.8392 k = 0.5347 0.2917-0.3957 ( 4069 PWs) bands (ev): -20.3950 -20.3950 -20.1255 -20.1255 -20.0356 -20.0356 -19.9863 -19.9863 -19.9787 -19.9787 -19.9059 -19.9059 -4.2139 -4.2139 -3.9741 -3.9741 -3.6167 -3.6167 -2.8524 -2.8524 -2.6745 -2.6745 -2.6004 -2.6004 -2.2939 -2.2939 -1.6813 -1.6813 -1.6505 -1.6505 -1.4803 -1.4803 -1.2637 -1.2637 -1.1780 -1.1780 -1.0616 -1.0616 -0.9931 -0.9931 -0.7558 -0.7558 -0.4453 -0.4453 -0.4162 -0.4162 -0.2203 -0.2203 1.7120 1.7120 2.1070 2.1070 2.2461 2.2461 2.4405 2.4405 2.5768 2.5768 2.6520 2.6520 3.1561 3.1561 3.4460 3.4460 4.0463 4.0463 5.0023 5.0023 11.8491 11.8491 k = 0.5433 0.2964-0.3831 ( 4067 PWs) bands (ev): -20.3926 -20.3926 -20.1314 -20.1314 -20.0351 -20.0351 -19.9857 -19.9857 -19.9764 -19.9764 -19.9059 -19.9059 -4.2057 -4.2057 -3.9740 -3.9740 -3.6129 -3.6129 -2.8449 -2.8449 -2.6785 -2.6785 -2.6097 -2.6097 -2.3002 -2.3002 -1.6907 -1.6907 -1.6740 -1.6740 -1.4650 -1.4650 -1.2652 -1.2652 -1.1691 -1.1691 -1.0639 -1.0639 -0.9775 -0.9775 -0.7504 -0.7504 -0.4607 -0.4607 -0.4215 -0.4215 -0.2212 -0.2212 1.7236 1.7236 2.1147 2.1147 2.2497 2.2497 2.4399 2.4399 2.5758 2.5758 2.6500 2.6500 3.1575 3.1575 3.4443 3.4443 4.0537 4.0537 4.9888 4.9888 11.8618 11.8618 k = 0.5520 0.3011-0.3705 ( 4071 PWs) bands (ev): -20.3897 -20.3897 -20.1382 -20.1382 -20.0344 -20.0344 -19.9851 -19.9851 -19.9738 -19.9738 -19.9058 -19.9058 -4.1959 -4.1959 -3.9739 -3.9739 -3.6084 -3.6084 -2.8359 -2.8359 -2.6833 -2.6833 -2.6209 -2.6209 -2.3076 -2.3076 -1.7102 -1.7102 -1.6898 -1.6898 -1.4508 -1.4508 -1.2655 -1.2655 -1.1596 -1.1596 -1.0654 -1.0654 -0.9606 -0.9606 -0.7439 -0.7439 -0.4813 -0.4813 -0.4251 -0.4251 -0.2223 -0.2223 1.7373 1.7373 2.1234 2.1234 2.2542 2.2542 2.4390 2.4390 2.5746 2.5746 2.6477 2.6477 3.1595 3.1595 3.4421 3.4421 4.0627 4.0627 4.9723 4.9723 11.8773 11.8773 k = 0.5606 0.3059-0.3579 ( 4073 PWs) bands (ev): -20.3862 -20.3862 -20.1460 -20.1460 -20.0336 -20.0336 -19.9846 -19.9846 -19.9709 -19.9709 -19.9058 -19.9058 -4.1843 -4.1843 -3.9738 -3.9738 -3.6030 -3.6030 -2.8253 -2.8253 -2.6890 -2.6890 -2.6341 -2.6341 -2.3162 -2.3162 -1.7366 -1.7366 -1.7010 -1.7010 -1.4376 -1.4376 -1.2644 -1.2644 -1.1498 -1.1498 -1.0661 -1.0661 -0.9428 -0.9428 -0.7365 -0.7365 -0.5059 -0.5059 -0.4279 -0.4279 -0.2237 -0.2237 1.7531 1.7531 2.1329 2.1329 2.2597 2.2597 2.4380 2.4380 2.5732 2.5732 2.6449 2.6449 3.1621 3.1621 3.4395 3.4395 4.0732 4.0732 4.9530 4.9530 11.8956 11.8956 k = 0.5693 0.3106-0.3453 ( 4069 PWs) bands (ev): -20.3823 -20.3823 -20.1545 -20.1545 -20.0327 -20.0327 -19.9840 -19.9840 -19.9680 -19.9680 -19.9058 -19.9058 -4.1710 -4.1710 -3.9738 -3.9738 -3.5968 -3.5968 -2.8133 -2.8133 -2.6954 -2.6954 -2.6491 -2.6491 -2.3256 -2.3256 -1.7647 -1.7647 -1.7126 -1.7126 -1.4254 -1.4254 -1.2618 -1.2618 -1.1397 -1.1397 -1.0663 -1.0663 -0.9245 -0.9245 -0.7282 -0.7282 -0.5333 -0.5333 -0.4302 -0.4302 -0.2253 -0.2253 1.7707 1.7707 2.1429 2.1429 2.2661 2.2661 2.4367 2.4367 2.5718 2.5718 2.6419 2.6419 3.1657 3.1657 3.4366 3.4366 4.0851 4.0851 4.9309 4.9309 11.9166 11.9166 k = 0.5780 0.3153-0.3327 ( 4064 PWs) bands (ev): -20.3778 -20.3778 -20.1637 -20.1637 -20.0317 -20.0317 -19.9834 -19.9834 -19.9650 -19.9650 -19.9057 -19.9057 -4.1561 -4.1561 -3.9737 -3.9737 -3.5899 -3.5899 -2.8000 -2.8000 -2.7024 -2.7024 -2.6658 -2.6658 -2.3359 -2.3359 -1.7935 -1.7935 -1.7255 -1.7255 -1.4140 -1.4140 -1.2578 -1.2578 -1.1295 -1.1295 -1.0661 -1.0661 -0.9063 -0.9063 -0.7191 -0.7191 -0.5624 -0.5624 -0.4321 -0.4321 -0.2273 -0.2273 1.7899 1.7899 2.1529 2.1529 2.2734 2.2734 2.4352 2.4352 2.5702 2.5702 2.6387 2.6387 3.1703 3.1703 3.4333 3.4333 4.0985 4.0985 4.9061 4.9061 11.9403 11.9403 k = 0.5866 0.3200-0.3201 ( 4064 PWs) bands (ev): -20.3729 -20.3729 -20.1735 -20.1735 -20.0306 -20.0306 -19.9827 -19.9827 -19.9620 -19.9620 -19.9057 -19.9057 -4.1396 -4.1396 -3.9737 -3.9737 -3.5822 -3.5822 -2.7861 -2.7861 -2.7095 -2.7095 -2.6842 -2.6842 -2.3468 -2.3468 -1.8228 -1.8228 -1.7396 -1.7396 -1.4033 -1.4033 -1.2523 -1.2523 -1.1191 -1.1191 -1.0657 -1.0657 -0.8891 -0.8891 -0.7093 -0.7093 -0.5920 -0.5920 -0.4337 -0.4337 -0.2295 -0.2295 1.8104 1.8104 2.1627 2.1627 2.2817 2.2817 2.4333 2.4333 2.5685 2.5685 2.6352 2.6352 3.1763 3.1763 3.4297 3.4297 4.1133 4.1133 4.8786 4.8786 11.9667 11.9667 k = 0.5953 0.3248-0.3075 ( 4061 PWs) bands (ev): -20.3675 -20.3675 -20.1839 -20.1839 -20.0294 -20.0294 -19.9820 -19.9820 -19.9592 -19.9592 -19.9056 -19.9056 -4.1215 -4.1215 -3.9738 -3.9738 -3.5738 -3.5738 -2.7730 -2.7730 -2.7152 -2.7152 -2.7040 -2.7040 -2.3582 -2.3582 -1.8522 -1.8522 -1.7551 -1.7551 -1.3933 -1.3933 -1.2454 -1.2454 -1.1089 -1.1089 -1.0652 -1.0652 -0.8742 -0.8742 -0.6991 -0.6991 -0.6201 -0.6201 -0.4348 -0.4348 -0.2321 -0.2321 1.8322 1.8322 2.1718 2.1718 2.2907 2.2907 2.4310 2.4310 2.5668 2.5668 2.6315 2.6315 3.1838 3.1838 3.4257 3.4257 4.1293 4.1293 4.8486 4.8486 11.9957 11.9957 k = 0.6040 0.3295-0.2949 ( 4061 PWs) bands (ev): -20.3616 -20.3616 -20.1947 -20.1947 -20.0281 -20.0281 -19.9813 -19.9813 -19.9565 -19.9565 -19.9055 -19.9055 -4.1020 -4.1020 -3.9739 -3.9739 -3.5647 -3.5647 -2.7649 -2.7649 -2.7258 -2.7258 -2.7150 -2.7150 -2.3700 -2.3700 -1.8818 -1.8818 -1.7717 -1.7717 -1.3839 -1.3839 -1.2374 -1.2374 -1.0991 -1.0991 -1.0647 -1.0647 -0.8636 -0.8636 -0.6886 -0.6886 -0.6441 -0.6441 -0.4354 -0.4354 -0.2351 -0.2351 1.8549 1.8549 2.1801 2.1801 2.3002 2.3002 2.4284 2.4284 2.5652 2.5652 2.6276 2.6276 3.1932 3.1932 3.4213 3.4213 4.1465 4.1465 4.8161 4.8161 12.0273 12.0273 k = 0.6126 0.3342-0.2823 ( 4059 PWs) bands (ev): -20.3552 -20.3552 -20.2060 -20.2060 -20.0267 -20.0267 -19.9805 -19.9805 -19.9539 -19.9539 -19.9054 -19.9054 -4.0811 -4.0811 -3.9741 -3.9741 -3.5549 -3.5549 -2.7663 -2.7663 -2.7484 -2.7484 -2.7053 -2.7053 -2.3821 -2.3821 -1.9115 -1.9115 -1.7893 -1.7893 -1.3752 -1.3752 -1.2283 -1.2283 -1.0907 -1.0907 -1.0637 -1.0637 -0.8600 -0.8600 -0.6792 -0.6792 -0.6592 -0.6592 -0.4355 -0.4355 -0.2384 -0.2384 1.8785 1.8785 2.1875 2.1875 2.3100 2.3100 2.4253 2.4253 2.5636 2.5636 2.6236 2.6236 3.2048 3.2048 3.4167 3.4167 4.1649 4.1649 4.7813 4.7813 12.0614 12.0614 k = 0.6213 0.3389-0.2697 ( 4062 PWs) bands (ev): -20.3484 -20.3484 -20.2177 -20.2177 -20.0252 -20.0252 -19.9797 -19.9797 -19.9516 -19.9516 -19.9053 -19.9053 -4.0588 -4.0588 -3.9744 -3.9744 -3.5445 -3.5445 -2.7756 -2.7756 -2.7718 -2.7718 -2.6876 -2.6876 -2.3943 -2.3943 -1.9410 -1.9410 -1.8078 -1.8078 -1.3673 -1.3673 -1.2183 -1.2183 -1.0866 -1.0866 -1.0602 -1.0602 -0.8648 -0.8648 -0.6748 -0.6748 -0.6591 -0.6591 -0.4348 -0.4348 -0.2420 -0.2420 1.9026 1.9026 2.1937 2.1937 2.3196 2.3196 2.4216 2.4216 2.5620 2.5620 2.6195 2.6195 3.2188 3.2188 3.4117 3.4117 4.1844 4.1844 4.7442 4.7442 12.0980 12.0980 k = 0.6300 0.3437-0.2571 ( 4064 PWs) bands (ev): -20.3412 -20.3412 -20.2297 -20.2297 -20.0236 -20.0236 -19.9788 -19.9788 -19.9494 -19.9494 -19.9052 -19.9052 -4.0352 -4.0352 -3.9749 -3.9749 -3.5335 -3.5335 -2.7978 -2.7978 -2.7872 -2.7872 -2.6659 -2.6659 -2.4065 -2.4065 -1.9704 -1.9704 -1.8269 -1.8269 -1.3604 -1.3604 -1.2075 -1.2075 -1.0896 -1.0896 -1.0524 -1.0524 -0.8767 -0.8767 -0.6698 -0.6698 -0.6491 -0.6491 -0.4335 -0.4335 -0.2461 -0.2461 1.9272 1.9272 2.1989 2.1989 2.3288 2.3288 2.4175 2.4175 2.5605 2.5605 2.6154 2.6154 3.2354 3.2354 3.4065 3.4065 4.2047 4.2047 4.7050 4.7050 12.1370 12.1371 k = 0.6300 0.3437-0.2571 ( 4064 PWs) bands (ev): -20.3412 -20.3412 -20.2297 -20.2297 -20.0236 -20.0236 -19.9788 -19.9788 -19.9494 -19.9494 -19.9052 -19.9052 -4.0352 -4.0352 -3.9749 -3.9749 -3.5335 -3.5335 -2.7978 -2.7978 -2.7872 -2.7872 -2.6659 -2.6659 -2.4065 -2.4065 -1.9704 -1.9704 -1.8269 -1.8269 -1.3604 -1.3604 -1.2075 -1.2075 -1.0896 -1.0896 -1.0524 -1.0524 -0.8767 -0.8767 -0.6698 -0.6698 -0.6491 -0.6491 -0.4335 -0.4335 -0.2461 -0.2461 1.9272 1.9272 2.1989 2.1989 2.3288 2.3288 2.4175 2.4175 2.5605 2.5605 2.6154 2.6154 3.2354 3.2354 3.4065 3.4065 4.2047 4.2047 4.7050 4.7050 12.1370 12.1370 k = 0.6253 0.3411-0.2411 ( 4062 PWs) bands (ev): -20.3369 -20.3369 -20.2373 -20.2373 -20.0226 -20.0226 -19.9781 -19.9781 -19.9476 -19.9476 -19.9054 -19.9054 -4.0190 -4.0190 -3.9754 -3.9754 -3.5274 -3.5274 -2.8113 -2.8113 -2.7952 -2.7952 -2.6514 -2.6514 -2.4118 -2.4118 -1.9904 -1.9904 -1.8382 -1.8382 -1.3275 -1.3275 -1.1741 -1.1741 -1.1191 -1.1191 -1.0778 -1.0778 -0.8952 -0.8952 -0.6598 -0.6598 -0.6406 -0.6406 -0.4328 -0.4328 -0.2516 -0.2516 1.9421 1.9421 2.2012 2.2012 2.3335 2.3335 2.4151 2.4151 2.5609 2.5609 2.6142 2.6142 3.2476 3.2476 3.4012 3.4012 4.2163 4.2163 4.6813 4.6813 12.1149 12.1150 k = 0.6207 0.3386-0.2252 ( 4062 PWs) bands (ev): -20.3331 -20.3331 -20.2447 -20.2447 -20.0212 -20.0212 -19.9773 -19.9773 -19.9459 -19.9459 -19.9056 -19.9056 -4.0021 -4.0021 -3.9743 -3.9743 -3.5210 -3.5210 -2.8257 -2.8257 -2.8049 -2.8049 -2.6356 -2.6356 -2.4201 -2.4201 -2.0085 -2.0085 -1.8483 -1.8483 -1.2966 -1.2966 -1.1577 -1.1577 -1.1475 -1.1475 -1.0887 -1.0887 -0.9147 -0.9147 -0.6478 -0.6478 -0.6307 -0.6307 -0.4319 -0.4319 -0.2572 -0.2572 1.9573 1.9573 2.2036 2.2036 2.3386 2.3386 2.4129 2.4129 2.5606 2.5606 2.6129 2.6129 3.2608 3.2608 3.3976 3.3976 4.2263 4.2263 4.6570 4.6570 12.0376 12.0376 k = 0.6160 0.3361-0.2093 ( 4060 PWs) bands (ev): -20.3300 -20.3300 -20.2520 -20.2520 -20.0193 -20.0193 -19.9763 -19.9763 -19.9442 -19.9442 -19.9059 -19.9059 -3.9847 -3.9847 -3.9714 -3.9714 -3.5144 -3.5144 -2.8408 -2.8408 -2.8161 -2.8161 -2.6189 -2.6189 -2.4309 -2.4309 -2.0248 -2.0248 -1.8574 -1.8574 -1.2695 -1.2695 -1.1804 -1.1804 -1.1671 -1.1671 -1.0701 -1.0701 -0.9336 -0.9336 -0.6350 -0.6350 -0.6191 -0.6191 -0.4308 -0.4308 -0.2631 -0.2631 1.9726 1.9726 2.2063 2.2063 2.3440 2.3440 2.4111 2.4111 2.5596 2.5596 2.6114 2.6114 3.2751 3.2751 3.3960 3.3960 4.2346 4.2346 4.6321 4.6321 11.9797 11.9798 k = 0.6114 0.3335-0.1933 ( 4056 PWs) bands (ev): -20.3275 -20.3275 -20.2590 -20.2590 -20.0171 -20.0171 -19.9753 -19.9753 -19.9425 -19.9425 -19.9063 -19.9063 -3.9673 -3.9673 -3.9663 -3.9663 -3.5074 -3.5074 -2.8567 -2.8567 -2.8285 -2.8285 -2.6020 -2.6020 -2.4436 -2.4436 -2.0393 -2.0393 -1.8656 -1.8656 -1.2505 -1.2505 -1.2070 -1.2070 -1.1928 -1.1928 -1.0387 -1.0387 -0.9500 -0.9500 -0.6224 -0.6224 -0.6057 -0.6057 -0.4295 -0.4295 -0.2691 -0.2691 1.9882 1.9882 2.2091 2.2091 2.3499 2.3499 2.4095 2.4095 2.5581 2.5581 2.6097 2.6097 3.2904 3.2904 3.3962 3.3962 4.2412 4.2412 4.6066 4.6066 11.8879 11.8879 k = 0.6068 0.3310-0.1774 ( 4057 PWs) bands (ev): -20.3255 -20.3255 -20.2657 -20.2657 -20.0145 -20.0145 -19.9742 -19.9742 -19.9409 -19.9409 -19.9067 -19.9067 -3.9605 -3.9605 -3.9484 -3.9484 -3.5002 -3.5002 -2.8732 -2.8732 -2.8421 -2.8421 -2.5859 -2.5859 -2.4573 -2.4573 -2.0521 -2.0521 -1.8729 -1.8729 -1.2564 -1.2564 -1.2284 -1.2284 -1.2086 -1.2086 -1.0054 -1.0054 -0.9616 -0.9616 -0.6101 -0.6101 -0.5907 -0.5907 -0.4279 -0.4279 -0.2751 -0.2751 2.0038 2.0038 2.2122 2.2122 2.3559 2.3559 2.4085 2.4085 2.5558 2.5558 2.6076 2.6076 3.3068 3.3068 3.3982 3.3982 4.2461 4.2461 4.5805 4.5805 11.8158 11.8158 k = 0.6021 0.3285-0.1615 ( 4055 PWs) bands (ev): -20.3241 -20.3241 -20.2722 -20.2722 -20.0115 -20.0115 -19.9731 -19.9731 -19.9393 -19.9393 -19.9073 -19.9073 -3.9524 -3.9524 -3.9295 -3.9295 -3.4927 -3.4927 -2.8903 -2.8903 -2.8566 -2.8566 -2.5728 -2.5728 -2.4694 -2.4694 -2.0630 -2.0630 -1.8795 -1.8795 -1.2829 -1.2829 -1.2578 -1.2578 -1.2055 -1.2055 -0.9755 -0.9755 -0.9629 -0.9629 -0.5980 -0.5980 -0.5747 -0.5747 -0.4260 -0.4260 -0.2812 -0.2812 2.0196 2.0196 2.2154 2.2154 2.3620 2.3620 2.4080 2.4080 2.5530 2.5530 2.6051 2.6051 3.3241 3.3241 3.4021 3.4021 4.2493 4.2493 4.5540 4.5540 11.7456 11.7456 k = 0.5975 0.3259-0.1456 ( 4053 PWs) bands (ev): -20.3232 -20.3232 -20.2785 -20.2785 -20.0082 -20.0082 -19.9718 -19.9718 -19.9378 -19.9378 -19.9078 -19.9078 -3.9425 -3.9425 -3.9101 -3.9101 -3.4849 -3.4849 -2.9080 -2.9080 -2.8720 -2.8720 -2.5673 -2.5673 -2.4754 -2.4754 -2.0723 -2.0723 -1.8853 -1.8853 -1.3130 -1.3130 -1.2892 -1.2892 -1.2071 -1.2071 -0.9651 -0.9651 -0.9370 -0.9370 -0.5857 -0.5857 -0.5582 -0.5582 -0.4238 -0.4238 -0.2874 -0.2874 2.0356 2.0356 2.2188 2.2188 2.3678 2.3678 2.4083 2.4083 2.5496 2.5496 2.6022 2.6022 3.3425 3.3425 3.4079 3.4079 4.2507 4.2507 4.5270 4.5270 11.6774 11.6774 k = 0.5928 0.3234-0.1296 ( 4052 PWs) bands (ev): -20.3227 -20.3227 -20.2845 -20.2845 -20.0047 -20.0047 -19.9705 -19.9705 -19.9363 -19.9363 -19.9085 -19.9085 -3.9310 -3.9310 -3.8902 -3.8902 -3.4768 -3.4768 -2.9262 -2.9262 -2.8881 -2.8881 -2.5741 -2.5741 -2.4704 -2.4704 -2.0798 -2.0798 -1.8905 -1.8905 -1.3439 -1.3439 -1.3210 -1.3210 -1.2173 -1.2173 -0.9525 -0.9525 -0.9062 -0.9062 -0.5732 -0.5732 -0.5416 -0.5416 -0.4212 -0.4212 -0.2935 -0.2935 2.0515 2.0515 2.2224 2.2224 2.3731 2.3731 2.4095 2.4095 2.5456 2.5456 2.5988 2.5988 3.3617 3.3617 3.4157 3.4157 4.2505 4.2505 4.4995 4.4995 11.6114 11.6114 k = 0.5882 0.3209-0.1137 ( 4052 PWs) bands (ev): -20.3226 -20.3226 -20.2902 -20.2902 -20.0009 -20.0009 -19.9690 -19.9690 -19.9349 -19.9349 -19.9092 -19.9092 -3.9177 -3.9177 -3.8699 -3.8699 -3.4683 -3.4683 -2.9449 -2.9449 -2.9048 -2.9048 -2.5919 -2.5919 -2.4557 -2.4557 -2.0856 -2.0856 -1.8950 -1.8950 -1.3748 -1.3748 -1.3529 -1.3529 -1.2347 -1.2347 -0.9341 -0.9341 -0.8767 -0.8767 -0.5604 -0.5604 -0.5251 -0.5251 -0.4183 -0.4183 -0.2995 -0.2995 2.0675 2.0675 2.2262 2.2262 2.3776 2.3776 2.4119 2.4119 2.5411 2.5411 2.5950 2.5950 3.3818 3.3818 3.4255 3.4255 4.2484 4.2484 4.4716 4.4716 11.5477 11.5477 k = 0.5835 0.3183-0.0978 ( 4040 PWs) bands (ev): -20.3229 -20.3229 -20.2956 -20.2956 -19.9969 -19.9969 -19.9676 -19.9676 -19.9336 -19.9336 -19.9099 -19.9099 -3.9027 -3.9027 -3.8492 -3.8492 -3.4596 -3.4596 -2.9641 -2.9641 -2.9221 -2.9221 -2.6164 -2.6164 -2.4355 -2.4355 -2.0897 -2.0897 -1.8987 -1.8987 -1.4056 -1.4056 -1.3847 -1.3847 -1.2573 -1.2573 -0.9118 -0.9118 -0.8487 -0.8487 -0.5471 -0.5471 -0.5089 -0.5089 -0.4150 -0.4150 -0.3053 -0.3053 2.0835 2.0835 2.2302 2.2302 2.3813 2.3813 2.4152 2.4152 2.5361 2.5361 2.5908 2.5908 3.4028 3.4028 3.4373 3.4373 4.2447 4.2447 4.4434 4.4434 11.4863 11.4863 k = 0.5789 0.3158-0.0818 ( 4039 PWs) bands (ev): -20.3235 -20.3235 -20.3007 -20.3007 -19.9929 -19.9929 -19.9660 -19.9660 -19.9324 -19.9324 -19.9108 -19.9108 -3.8861 -3.8861 -3.8282 -3.8282 -3.4505 -3.4505 -2.9837 -2.9837 -2.9397 -2.9397 -2.6448 -2.6448 -2.4122 -2.4122 -2.0922 -2.0922 -1.9018 -1.9018 -1.4361 -1.4361 -1.4162 -1.4162 -1.2836 -1.2836 -0.8875 -0.8875 -0.8227 -0.8227 -0.5335 -0.5335 -0.4932 -0.4932 -0.4114 -0.4114 -0.3110 -0.3110 2.0995 2.0995 2.2343 2.2343 2.3841 2.3841 2.4194 2.4194 2.5305 2.5305 2.5861 2.5861 3.4245 3.4245 3.4513 3.4513 4.2392 4.2392 4.4147 4.4147 11.4273 11.4274 k = 0.5743 0.3133-0.0659 ( 4037 PWs) bands (ev): -20.3244 -20.3244 -20.3055 -20.3055 -19.9887 -19.9887 -19.9644 -19.9644 -19.9313 -19.9313 -19.9117 -19.9117 -3.8678 -3.8678 -3.8067 -3.8067 -3.4411 -3.4411 -3.0037 -3.0037 -2.9577 -2.9577 -2.6761 -2.6761 -2.3871 -2.3871 -2.0932 -2.0932 -1.9041 -1.9041 -1.4662 -1.4662 -1.4475 -1.4475 -1.3122 -1.3122 -0.8623 -0.8623 -0.7987 -0.7987 -0.5194 -0.5194 -0.4780 -0.4780 -0.4074 -0.4074 -0.3164 -0.3164 2.1153 2.1153 2.2387 2.2387 2.3864 2.3864 2.4239 2.4239 2.5246 2.5246 2.5810 2.5810 3.4467 3.4467 3.4676 3.4676 4.2319 4.2319 4.3858 4.3858 11.3710 11.3710 k = 0.5696 0.3107-0.0500 ( 4031 PWs) bands (ev): -20.3255 -20.3255 -20.3101 -20.3101 -19.9845 -19.9845 -19.9628 -19.9628 -19.9303 -19.9303 -19.9127 -19.9127 -3.8480 -3.8480 -3.7850 -3.7850 -3.4314 -3.4314 -3.0239 -3.0239 -2.9760 -2.9760 -2.7095 -2.7095 -2.3606 -2.3606 -2.0925 -2.0925 -1.9057 -1.9057 -1.4960 -1.4960 -1.4782 -1.4782 -1.3425 -1.3425 -0.8371 -0.8371 -0.7767 -0.7767 -0.5051 -0.5051 -0.4635 -0.4635 -0.4031 -0.4031 -0.3215 -0.3215 2.1311 2.1311 2.2433 2.2433 2.3884 2.3884 2.4285 2.4285 2.5182 2.5182 2.5755 2.5755 3.4694 3.4694 3.4862 3.4862 4.2228 4.2228 4.3565 4.3565 11.3174 11.3174 k = 0.5650 0.3082-0.0340 ( 4037 PWs) bands (ev): -20.3267 -20.3267 -20.3143 -20.3143 -19.9803 -19.9803 -19.9611 -19.9611 -19.9294 -19.9294 -19.9138 -19.9138 -3.8266 -3.8266 -3.7630 -3.7630 -3.4213 -3.4213 -3.0445 -3.0445 -2.9944 -2.9944 -2.7446 -2.7446 -2.3330 -2.3330 -2.0904 -2.0904 -1.9065 -1.9065 -1.5255 -1.5255 -1.5084 -1.5084 -1.3740 -1.3740 -0.8124 -0.8124 -0.7569 -0.7569 -0.4905 -0.4905 -0.4497 -0.4497 -0.3986 -0.3986 -0.3262 -0.3262 2.1466 2.1466 2.2482 2.2482 2.3903 2.3903 2.4326 2.4326 2.5114 2.5114 2.5696 2.5696 3.4925 3.4925 3.5070 3.5070 4.2120 4.2120 4.3269 4.3269 11.2665 11.2665 k = 0.5603 0.3057-0.0181 ( 4041 PWs) bands (ev): -20.3281 -20.3281 -20.3182 -20.3182 -19.9761 -19.9761 -19.9593 -19.9593 -19.9286 -19.9286 -19.9149 -19.9149 -3.8038 -3.8038 -3.7408 -3.7408 -3.4109 -3.4109 -3.0653 -3.0653 -3.0129 -3.0129 -2.7811 -2.7811 -2.3046 -2.3046 -2.0868 -2.0868 -1.9064 -1.9064 -1.5546 -1.5546 -1.5377 -1.5377 -1.4064 -1.4064 -0.7888 -0.7888 -0.7390 -0.7390 -0.4759 -0.4759 -0.4368 -0.4368 -0.3937 -0.3937 -0.3305 -0.3305 2.1619 2.1619 2.2532 2.2532 2.3921 2.3921 2.4362 2.4362 2.5046 2.5046 2.5634 2.5634 3.5161 3.5161 3.5299 3.5299 4.1995 4.1995 4.2971 4.2971 11.2186 11.2186 k = 0.5557 0.3032-0.0022 ( 4045 PWs) bands (ev): -20.3296 -20.3296 -20.3218 -20.3218 -19.9720 -19.9720 -19.9575 -19.9575 -19.9280 -19.9280 -19.9161 -19.9161 -3.7796 -3.7796 -3.7184 -3.7184 -3.4001 -3.4001 -3.0862 -3.0862 -3.0315 -3.0315 -2.8187 -2.8187 -2.2755 -2.2755 -2.0817 -2.0817 -1.9055 -1.9055 -1.5834 -1.5834 -1.5661 -1.5661 -1.4395 -1.4395 -0.7665 -0.7665 -0.7231 -0.7231 -0.4614 -0.4614 -0.4248 -0.4248 -0.3887 -0.3887 -0.3343 -0.3343 2.1769 2.1769 2.2586 2.2586 2.3940 2.3940 2.4388 2.4388 2.4976 2.4976 2.5569 2.5569 3.5405 3.5405 3.5544 3.5544 4.1852 4.1852 4.2670 4.2670 11.1736 11.1737 k = 0.5511 0.3006 0.0138 ( 4047 PWs) bands (ev): -20.3311 -20.3311 -20.3251 -20.3251 -19.9680 -19.9680 -19.9557 -19.9557 -19.9276 -19.9276 -19.9173 -19.9173 -3.7541 -3.7541 -3.6958 -3.6958 -3.3889 -3.3889 -3.1071 -3.1071 -3.0500 -3.0500 -2.8572 -2.8572 -2.2457 -2.2457 -2.0753 -2.0753 -1.9036 -1.9036 -1.6119 -1.6119 -1.5933 -1.5933 -1.4730 -1.4730 -0.7458 -0.7458 -0.7090 -0.7090 -0.4472 -0.4472 -0.4137 -0.4137 -0.3834 -0.3834 -0.3376 -0.3376 2.1915 2.1915 2.2642 2.2642 2.3960 2.3960 2.4404 2.4404 2.4908 2.4908 2.5501 2.5501 3.5661 3.5661 3.5800 3.5800 4.1693 4.1693 4.2367 4.2367 11.1318 11.1318 k = 0.5464 0.2981 0.0297 ( 4044 PWs) bands (ev): -20.3325 -20.3325 -20.3281 -20.3281 -19.9641 -19.9641 -19.9539 -19.9539 -19.9273 -19.9273 -19.9187 -19.9187 -3.7274 -3.7274 -3.6733 -3.6733 -3.3774 -3.3774 -3.1281 -3.1281 -3.0685 -3.0685 -2.8964 -2.8964 -2.2154 -2.2154 -2.0675 -2.0675 -1.9009 -1.9009 -1.6401 -1.6401 -1.6194 -1.6194 -1.5069 -1.5069 -0.7269 -0.7269 -0.6966 -0.6966 -0.4335 -0.4335 -0.4038 -0.4038 -0.3780 -0.3780 -0.3402 -0.3402 2.2057 2.2057 2.2700 2.2700 2.3981 2.3981 2.4407 2.4407 2.4845 2.4845 2.5430 2.5430 3.5929 3.5929 3.6066 3.6066 4.1517 4.1517 4.2063 4.2063 11.0932 11.0933 k = 0.5418 0.2956 0.0456 ( 4044 PWs) bands (ev): -20.3340 -20.3340 -20.3308 -20.3308 -19.9603 -19.9603 -19.9520 -19.9520 -19.9272 -19.9272 -19.9200 -19.9200 -3.6998 -3.6998 -3.6508 -3.6508 -3.3654 -3.3654 -3.1488 -3.1488 -3.0868 -3.0868 -2.9360 -2.9360 -2.1846 -2.1846 -2.0584 -2.0584 -1.8972 -1.8972 -1.6677 -1.6677 -1.6443 -1.6443 -1.5409 -1.5409 -0.7099 -0.7099 -0.6857 -0.6857 -0.4205 -0.4205 -0.3950 -0.3950 -0.3724 -0.3724 -0.3422 -0.3422 2.2194 2.2194 2.2761 2.2761 2.4003 2.4003 2.4395 2.4395 2.4791 2.4791 2.5357 2.5357 3.6208 3.6208 3.6338 3.6338 4.1325 4.1325 4.1757 4.1757 11.0580 11.0580 k = 0.5371 0.2930 0.0616 ( 4040 PWs) bands (ev): -20.3354 -20.3354 -20.3332 -20.3332 -19.9567 -19.9567 -19.9501 -19.9501 -19.9272 -19.9272 -19.9215 -19.9215 -3.6715 -3.6715 -3.6284 -3.6284 -3.3531 -3.3531 -3.1691 -3.1691 -3.1050 -3.1050 -2.9757 -2.9757 -2.1536 -2.1536 -2.0482 -2.0482 -1.8924 -1.8924 -1.6947 -1.6947 -1.6680 -1.6680 -1.5751 -1.5751 -0.6950 -0.6950 -0.6762 -0.6762 -0.4086 -0.4086 -0.3875 -0.3875 -0.3668 -0.3668 -0.3436 -0.3436 2.2324 2.2324 2.2824 2.2824 2.4025 2.4025 2.4366 2.4366 2.4747 2.4747 2.5283 2.5283 3.6498 3.6498 3.6617 3.6617 4.1117 4.1117 4.1450 4.1450 11.0262 11.0278 k = 0.5325 0.2905 0.0775 ( 4046 PWs) bands (ev): -20.3368 -20.3368 -20.3353 -20.3353 -19.9533 -19.9533 -19.9482 -19.9482 -19.9274 -19.9274 -19.9230 -19.9230 -3.6427 -3.6427 -3.6065 -3.6065 -3.3404 -3.3404 -3.1888 -3.1888 -3.1229 -3.1229 -3.0153 -3.0153 -2.1224 -2.1224 -2.0368 -2.0368 -1.8867 -1.8867 -1.7209 -1.7209 -1.6905 -1.6905 -1.6092 -1.6092 -0.6821 -0.6821 -0.6679 -0.6679 -0.3978 -0.3978 -0.3812 -0.3812 -0.3612 -0.3612 -0.3444 -0.3444 2.2447 2.2447 2.2886 2.2886 2.4045 2.4045 2.4325 2.4325 2.4714 2.4714 2.5208 2.5208 3.6797 3.6797 3.6900 3.6900 4.0894 4.0894 4.1142 4.1142 10.9985 10.9988 k = 0.5278 0.2880 0.0934 ( 4042 PWs) bands (ev): -20.3380 -20.3380 -20.3371 -20.3371 -19.9500 -19.9500 -19.9463 -19.9463 -19.9279 -19.9279 -19.9245 -19.9245 -3.6138 -3.6138 -3.5851 -3.5851 -3.3273 -3.3273 -3.2075 -3.2075 -3.1406 -3.1406 -3.0544 -3.0544 -2.0913 -2.0913 -2.0244 -2.0244 -1.8800 -1.8800 -1.7459 -1.7459 -1.7118 -1.7118 -1.6432 -1.6432 -0.6713 -0.6713 -0.6608 -0.6608 -0.3884 -0.3884 -0.3758 -0.3758 -0.3559 -0.3559 -0.3446 -0.3446 2.2563 2.2563 2.2946 2.2946 2.4064 2.4064 2.4275 2.4275 2.4692 2.4692 2.5133 2.5133 3.7104 3.7104 3.7188 3.7188 4.0656 4.0656 4.0833 4.0833 10.9732 10.9737 k = 0.5232 0.2854 0.1094 ( 4042 PWs) bands (ev): -20.3391 -20.3391 -20.3385 -20.3385 -19.9470 -19.9470 -19.9444 -19.9444 -19.9285 -19.9285 -19.9261 -19.9261 -3.5856 -3.5856 -3.5646 -3.5646 -3.3139 -3.3139 -3.2245 -3.2245 -3.1581 -3.1581 -3.0926 -3.0926 -2.0607 -2.0607 -2.0111 -2.0111 -1.8723 -1.8723 -1.7693 -1.7693 -1.7320 -1.7320 -1.6767 -1.6767 -0.6624 -0.6624 -0.6548 -0.6548 -0.3805 -0.3805 -0.3715 -0.3715 -0.3511 -0.3511 -0.3442 -0.3442 2.2670 2.2670 2.3001 2.3001 2.4080 2.4080 2.4224 2.4224 2.4679 2.4679 2.5058 2.5058 3.7415 3.7415 3.7480 3.7480 4.0405 4.0405 4.0524 4.0524 10.9522 10.9524 k = 0.5186 0.2829 0.1253 ( 4040 PWs) bands (ev): -20.3400 -20.3400 -20.3397 -20.3397 -19.9442 -19.9442 -19.9425 -19.9425 -19.9293 -19.9293 -19.9277 -19.9277 -3.5591 -3.5591 -3.5454 -3.5454 -3.3000 -3.3000 -3.2390 -3.2390 -3.1753 -3.1753 -3.1293 -3.1293 -2.0311 -2.0311 -1.9973 -1.9973 -1.8635 -1.8635 -1.7907 -1.7907 -1.7510 -1.7510 -1.7095 -1.7095 -0.6554 -0.6554 -0.6499 -0.6499 -0.3742 -0.3742 -0.3680 -0.3680 -0.3470 -0.3470 -0.3434 -0.3434 2.2768 2.2768 2.3046 2.3046 2.4091 2.4091 2.4176 2.4176 2.4675 2.4675 2.4987 2.4987 3.7730 3.7730 3.7776 3.7776 4.0142 4.0142 4.0215 4.0215 10.9348 10.9349 k = 0.5139 0.2804 0.1412 ( 4034 PWs) bands (ev): -20.3408 -20.3408 -20.3406 -20.3406 -19.9416 -19.9416 -19.9407 -19.9407 -19.9303 -19.9303 -19.9294 -19.9294 -3.5355 -3.5355 -3.5281 -3.5281 -3.2857 -3.2857 -3.2496 -3.2496 -3.1921 -3.1921 -3.1637 -3.1637 -2.0037 -2.0037 -1.9833 -1.9833 -1.8537 -1.8537 -1.8089 -1.8089 -1.7687 -1.7687 -1.7410 -1.7410 -0.6501 -0.6501 -0.6461 -0.6461 -0.3694 -0.3694 -0.3653 -0.3653 -0.3438 -0.3438 -0.3422 -0.3422 2.2857 2.2857 2.3077 2.3077 2.4096 2.4096 2.4138 2.4138 2.4680 2.4680 2.4919 2.4919 3.8046 3.8046 3.8074 3.8074 3.9867 3.9867 3.9906 3.9906 10.9210 10.9211 k = 0.5093 0.2778 0.1571 ( 4034 PWs) bands (ev): -20.3413 -20.3413 -20.3413 -20.3413 -19.9393 -19.9393 -19.9389 -19.9389 -19.9315 -19.9315 -19.9311 -19.9311 -3.5167 -3.5167 -3.5139 -3.5139 -3.2711 -3.2711 -3.2545 -3.2545 -3.2086 -3.2086 -3.1948 -3.1948 -1.9806 -1.9806 -1.9701 -1.9701 -1.8429 -1.8429 -1.8220 -1.8220 -1.7852 -1.7852 -1.7703 -1.7703 -0.6462 -0.6462 -0.6436 -0.6436 -0.3661 -0.3661 -0.3636 -0.3636 -0.3414 -0.3414 -0.3410 -0.3410 2.2935 2.2935 2.3089 2.3089 2.4096 2.4096 2.4112 2.4112 2.4694 2.4694 2.4857 2.4857 3.8362 3.8362 3.8375 3.8375 3.9581 3.9581 3.9598 3.9598 10.9113 10.9114 k = 0.5046 0.2753 0.1731 ( 4032 PWs) bands (ev): -20.3417 -20.3417 -20.3416 -20.3416 -19.9374 -19.9374 -19.9372 -19.9372 -19.9327 -19.9327 -19.9326 -19.9326 -3.5048 -3.5048 -3.5041 -3.5041 -3.2560 -3.2560 -3.2519 -3.2519 -3.2247 -3.2247 -3.2210 -3.2210 -1.9646 -1.9646 -1.9600 -1.9600 -1.8318 -1.8318 -1.8269 -1.8269 -1.7999 -1.7999 -1.7948 -1.7948 -0.6436 -0.6436 -0.6424 -0.6424 -0.3640 -0.3640 -0.3628 -0.3628 -0.3401 -0.3401 -0.3400 -0.3400 2.2999 2.2999 2.3080 2.3080 2.4090 2.4090 2.4101 2.4101 2.4720 2.4720 2.4803 2.4803 3.8675 3.8675 3.8679 3.8679 3.9286 3.9286 3.9290 3.9290 10.9054 10.9055 k = 0.5000 0.2728 0.1890 ( 4026 PWs) bands (ev): -20.3418 -20.3418 -20.3418 -20.3418 -19.9363 -19.9363 -19.9363 -19.9363 -19.9335 -19.9335 -19.9335 -19.9335 -3.5006 -3.5006 -3.5006 -3.5006 -3.2420 -3.2420 -3.2418 -3.2418 -3.2393 -3.2393 -3.2391 -3.2391 -1.9575 -1.9575 -1.9574 -1.9574 -1.8248 -1.8248 -1.8246 -1.8246 -1.8081 -1.8081 -1.8079 -1.8079 -0.6424 -0.6424 -0.6424 -0.6424 -0.3629 -0.3629 -0.3629 -0.3629 -0.3397 -0.3397 -0.3396 -0.3396 2.3044 2.3044 2.3054 2.3054 2.4087 2.4087 2.4098 2.4098 2.4751 2.4751 2.4762 2.4762 3.8972 3.8972 3.8982 3.8982 3.8986 3.8986 3.8995 3.8995 10.9034 10.9035 k = 0.5000-0.3219-0.2230 ( 4074 PWs) bands (ev): -20.3267 -20.3267 -20.3267 -20.3267 -19.9605 -19.9605 -19.9605 -19.9605 -19.9242 -19.9242 -19.9242 -19.9242 -3.6905 -3.6905 -3.6904 -3.6904 -3.2448 -3.2448 -3.2446 -3.2446 -3.0949 -3.0949 -3.0947 -3.0947 -2.1168 -2.1168 -2.1166 -2.1166 -1.8680 -1.8680 -1.8679 -1.8679 -1.6779 -1.6779 -1.6778 -1.6778 -0.5055 -0.5055 -0.5055 -0.5055 -0.3660 -0.3660 -0.3660 -0.3660 -0.2517 -0.2517 -0.2517 -0.2517 2.2950 2.2950 2.2960 2.2960 2.3463 2.3463 2.3474 2.3474 2.4566 2.4566 2.4576 2.4576 3.8802 3.8802 3.8812 3.8812 3.9558 3.9558 3.9568 3.9568 11.2060 11.2061 k = 0.5104-0.3110-0.2155 ( 4075 PWs) bands (ev): -20.3271 -20.3271 -20.3262 -20.3262 -19.9618 -19.9618 -19.9592 -19.9592 -19.9271 -19.9271 -19.9215 -19.9215 -3.6943 -3.6943 -3.6894 -3.6894 -3.2668 -3.2668 -3.2210 -3.2210 -3.1054 -3.1054 -3.0816 -3.0816 -2.1400 -2.1400 -2.0945 -2.0945 -1.8810 -1.8810 -1.8536 -1.8536 -1.6965 -1.6965 -1.6569 -1.6569 -0.5077 -0.5077 -0.5041 -0.5041 -0.3684 -0.3684 -0.3655 -0.3655 -0.2579 -0.2579 -0.2467 -0.2467 2.2848 2.2848 2.3049 2.3049 2.3381 2.3381 2.3563 2.3563 2.4524 2.4524 2.4624 2.4624 3.8454 3.8454 3.9160 3.9160 3.9247 3.9247 3.9872 3.9872 11.2076 11.2079 k = 0.5208-0.3001-0.2079 ( 4077 PWs) bands (ev): -20.3272 -20.3272 -20.3254 -20.3254 -19.9632 -19.9632 -19.9580 -19.9580 -19.9301 -19.9301 -19.9190 -19.9190 -3.7007 -3.7007 -3.6916 -3.6916 -3.2869 -3.2869 -3.1963 -3.1963 -3.1134 -3.1134 -3.0658 -3.0658 -2.1640 -2.1640 -2.0739 -2.0739 -1.8916 -1.8916 -1.8393 -1.8393 -1.7120 -1.7120 -1.6342 -1.6342 -0.5108 -0.5108 -0.5037 -0.5037 -0.3727 -0.3727 -0.3670 -0.3670 -0.2652 -0.2652 -0.2427 -0.2427 2.2736 2.2736 2.3106 2.3106 2.3330 2.3330 2.3655 2.3655 2.4484 2.4484 2.4681 2.4681 3.8103 3.8103 3.8918 3.8918 3.9520 3.9520 4.0170 4.0170 11.2122 11.2122 k = 0.5312-0.2891-0.2004 ( 4073 PWs) bands (ev): -20.3271 -20.3271 -20.3244 -20.3244 -19.9646 -19.9646 -19.9568 -19.9568 -19.9333 -19.9333 -19.9167 -19.9167 -3.7093 -3.7093 -3.6969 -3.6969 -3.3048 -3.3048 -3.1712 -3.1712 -3.1188 -3.1188 -3.0470 -3.0470 -2.1883 -2.1883 -2.0562 -2.0562 -1.8983 -1.8983 -1.8270 -1.8270 -1.7225 -1.7225 -1.6100 -1.6100 -0.5149 -0.5149 -0.5042 -0.5042 -0.3787 -0.3787 -0.3706 -0.3706 -0.2737 -0.2737 -0.2396 -0.2396 2.2619 2.2619 2.3080 2.3080 2.3362 2.3362 2.3740 2.3740 2.4455 2.4455 2.4743 2.4743 3.7755 3.7755 3.8588 3.8588 3.9878 3.9878 4.0457 4.0457 11.2206 11.2206 k = 0.5416-0.2782-0.1928 ( 4072 PWs) bands (ev): -20.3269 -20.3269 -20.3231 -20.3231 -19.9661 -19.9661 -19.9557 -19.9557 -19.9367 -19.9367 -19.9146 -19.9146 -3.7196 -3.7196 -3.7054 -3.7054 -3.3208 -3.3208 -3.1465 -3.1465 -3.1216 -3.1216 -3.0252 -3.0252 -2.2127 -2.2127 -2.0426 -2.0426 -1.8997 -1.8997 -1.8196 -1.8196 -1.7256 -1.7256 -1.5845 -1.5845 -0.5199 -0.5199 -0.5058 -0.5058 -0.3863 -0.3863 -0.3763 -0.3763 -0.2834 -0.2834 -0.2374 -0.2374 2.2496 2.2496 2.3007 2.3007 2.3442 2.3442 2.3814 2.3814 2.4438 2.4438 2.4809 2.4809 3.7411 3.7411 3.8255 3.8255 4.0235 4.0235 4.0729 4.0729 11.2326 11.2326 k = 0.5520-0.2673-0.1852 ( 4066 PWs) bands (ev): -20.3266 -20.3266 -20.3215 -20.3215 -19.9676 -19.9676 -19.9547 -19.9547 -19.9401 -19.9401 -19.9127 -19.9127 -3.7314 -3.7314 -3.7168 -3.7168 -3.3349 -3.3349 -3.1228 -3.1228 -3.1214 -3.1214 -3.0001 -3.0001 -2.2373 -2.2373 -2.0344 -2.0344 -1.8945 -1.8945 -1.8191 -1.8191 -1.7191 -1.7191 -1.5578 -1.5578 -0.5259 -0.5259 -0.5084 -0.5084 -0.3955 -0.3955 -0.3841 -0.3841 -0.2941 -0.2941 -0.2359 -0.2359 2.2369 2.2369 2.2926 2.2926 2.3530 2.3530 2.3873 2.3873 2.4438 2.4438 2.4878 2.4878 3.7072 3.7072 3.7921 3.7921 4.0591 4.0591 4.0987 4.0987 11.2481 11.2481 k = 0.5624-0.2564-0.1777 ( 4056 PWs) bands (ev): -20.3261 -20.3261 -20.3197 -20.3197 -19.9693 -19.9693 -19.9537 -19.9537 -19.9436 -19.9436 -19.9110 -19.9110 -3.7443 -3.7443 -3.7306 -3.7306 -3.3476 -3.3476 -3.1188 -3.1188 -3.0998 -3.0998 -2.9720 -2.9720 -2.2618 -2.2618 -2.0314 -2.0314 -1.8826 -1.8826 -1.8242 -1.8242 -1.7047 -1.7047 -1.5302 -1.5302 -0.5330 -0.5330 -0.5124 -0.5124 -0.4062 -0.4062 -0.3940 -0.3940 -0.3056 -0.3056 -0.2350 -0.2350 2.2236 2.2236 2.2848 2.2848 2.3615 2.3615 2.3916 2.3916 2.4455 2.4455 2.4950 2.4950 3.6738 3.6738 3.7590 3.7590 4.0945 4.0945 4.1230 4.1230 11.2671 11.2671 k = 0.5728-0.2455-0.1701 ( 4058 PWs) bands (ev): -20.3255 -20.3255 -20.3176 -20.3176 -19.9710 -19.9710 -19.9528 -19.9528 -19.9471 -19.9471 -19.9095 -19.9095 -3.7582 -3.7582 -3.7464 -3.7464 -3.3592 -3.3592 -3.1134 -3.1134 -3.0783 -3.0783 -2.9413 -2.9413 -2.2862 -2.2862 -2.0323 -2.0323 -1.8656 -1.8656 -1.8317 -1.8317 -1.6852 -1.6852 -1.5018 -1.5018 -0.5413 -0.5413 -0.5179 -0.5179 -0.4182 -0.4182 -0.4058 -0.4058 -0.3178 -0.3178 -0.2346 -0.2346 2.2098 2.2098 2.2775 2.2775 2.3689 2.3689 2.3946 2.3946 2.4489 2.4489 2.5024 2.5024 3.6410 3.6410 3.7262 3.7262 4.1290 4.1290 4.1463 4.1463 11.2895 11.2895 k = 0.5832-0.2346-0.1626 ( 4056 PWs) bands (ev): -20.3249 -20.3249 -20.3152 -20.3152 -19.9730 -19.9730 -19.9525 -19.9525 -19.9500 -19.9500 -19.9082 -19.9082 -3.7728 -3.7728 -3.7637 -3.7637 -3.3702 -3.3702 -3.1054 -3.1054 -3.0578 -3.0578 -2.9084 -2.9084 -2.3104 -2.3104 -2.0354 -2.0354 -1.8483 -1.8483 -1.8366 -1.8366 -1.6626 -1.6626 -1.4726 -1.4726 -0.5507 -0.5507 -0.5252 -0.5252 -0.4313 -0.4313 -0.4195 -0.4195 -0.3303 -0.3303 -0.2346 -0.2346 2.1956 2.1956 2.2708 2.2708 2.3748 2.3748 2.3969 2.3969 2.4538 2.4538 2.5101 2.5101 3.6089 3.6089 3.6942 3.6942 4.1593 4.1593 4.1718 4.1718 11.3153 11.3153 k = 0.5936-0.2237-0.1550 ( 4060 PWs) bands (ev): -20.3242 -20.3242 -20.3125 -20.3125 -19.9751 -19.9751 -19.9547 -19.9547 -19.9504 -19.9504 -19.9071 -19.9071 -3.7880 -3.7880 -3.7818 -3.7818 -3.3808 -3.3808 -3.0950 -3.0950 -3.0382 -3.0382 -2.8740 -2.8740 -2.3344 -2.3344 -2.0395 -2.0395 -1.8513 -1.8513 -1.8184 -1.8184 -1.6382 -1.6382 -1.4428 -1.4428 -0.5616 -0.5616 -0.5347 -0.5347 -0.4456 -0.4456 -0.4346 -0.4346 -0.3428 -0.3428 -0.2349 -0.2349 2.1810 2.1810 2.2648 2.2648 2.3788 2.3788 2.3990 2.3990 2.4599 2.4599 2.5179 2.5179 3.5775 3.5775 3.6630 3.6630 4.1807 4.1807 4.2040 4.2040 11.3444 11.3444 k = 0.6040-0.2128-0.1474 ( 4064 PWs) bands (ev): -20.3236 -20.3236 -20.3095 -20.3095 -19.9776 -19.9776 -19.9578 -19.9578 -19.9498 -19.9498 -19.9062 -19.9062 -3.8035 -3.8035 -3.8004 -3.8004 -3.3911 -3.3911 -3.0826 -3.0826 -3.0192 -3.0192 -2.8386 -2.8386 -2.3580 -2.3580 -2.0437 -2.0437 -1.8588 -1.8588 -1.7933 -1.7933 -1.6125 -1.6125 -1.4125 -1.4125 -0.5740 -0.5740 -0.5468 -0.5468 -0.4611 -0.4611 -0.4507 -0.4507 -0.3549 -0.3549 -0.2355 -0.2355 2.1660 2.1660 2.2593 2.2593 2.3811 2.3811 2.4010 2.4010 2.4668 2.4668 2.5257 2.5257 3.5469 3.5469 3.6331 3.6331 4.1979 4.1979 4.2382 4.2382 11.3767 11.3767 k = 0.6144-0.2019-0.1399 ( 4064 PWs) bands (ev): -20.3229 -20.3229 -20.3062 -20.3062 -19.9803 -19.9803 -19.9607 -19.9607 -19.9491 -19.9491 -19.9054 -19.9054 -3.8197 -3.8197 -3.8188 -3.8188 -3.4014 -3.4014 -3.0683 -3.0683 -3.0007 -3.0007 -2.8027 -2.8027 -2.3813 -2.3813 -2.0475 -2.0475 -1.8656 -1.8656 -1.7665 -1.7665 -1.5858 -1.5858 -1.3818 -1.3818 -0.5882 -0.5882 -0.5617 -0.5617 -0.4779 -0.4779 -0.4671 -0.4671 -0.3663 -0.3663 -0.2362 -0.2362 2.1507 2.1507 2.2544 2.2544 2.3820 2.3820 2.4026 2.4026 2.4743 2.4743 2.5336 2.5336 3.5173 3.5173 3.6044 3.6044 4.2125 4.2125 4.2727 4.2727 11.4122 11.4247 k = 0.6248-0.1910-0.1323 ( 4065 PWs) bands (ev): -20.3224 -20.3224 -20.3026 -20.3026 -19.9834 -19.9834 -19.9633 -19.9633 -19.9485 -19.9485 -19.9047 -19.9047 -3.8377 -3.8377 -3.8352 -3.8352 -3.4116 -3.4116 -3.0524 -3.0524 -2.9825 -2.9825 -2.7668 -2.7668 -2.4040 -2.4040 -2.0504 -2.0504 -1.8715 -1.8715 -1.7388 -1.7388 -1.5585 -1.5585 -1.3509 -1.3509 -0.6046 -0.6046 -0.5795 -0.5795 -0.4960 -0.4960 -0.4831 -0.4831 -0.3767 -0.3767 -0.2371 -0.2371 2.1352 2.1352 2.2498 2.2498 2.3821 2.3821 2.4035 2.4035 2.4823 2.4823 2.5413 2.5413 3.4887 3.4887 3.5774 3.5774 4.2250 4.2250 4.3069 4.3069 11.4508 11.4644 k = 0.6352-0.1800-0.1248 ( 4066 PWs) bands (ev): -20.3220 -20.3220 -20.2987 -20.2987 -19.9867 -19.9867 -19.9656 -19.9656 -19.9479 -19.9479 -19.9043 -19.9043 -3.8555 -3.8555 -3.8514 -3.8514 -3.4218 -3.4218 -3.0353 -3.0353 -2.9646 -2.9646 -2.7312 -2.7312 -2.4263 -2.4263 -2.0523 -2.0523 -1.8761 -1.8761 -1.7103 -1.7103 -1.5307 -1.5307 -1.3199 -1.3199 -0.6237 -0.6237 -0.6000 -0.6000 -0.5152 -0.5152 -0.4986 -0.4986 -0.3860 -0.3860 -0.2380 -0.2380 2.1195 2.1195 2.2456 2.2456 2.3817 2.3817 2.4037 2.4037 2.4905 2.4905 2.5488 2.5488 3.4612 3.4612 3.5520 3.5520 4.2353 4.2353 4.3408 4.3408 11.4924 11.4924 k = 0.6456-0.1691-0.1172 ( 4064 PWs) bands (ev): -20.3217 -20.3217 -20.2945 -20.2945 -19.9903 -19.9903 -19.9676 -19.9676 -19.9475 -19.9475 -19.9039 -19.9039 -3.8726 -3.8726 -3.8675 -3.8675 -3.4319 -3.4319 -3.0170 -3.0170 -2.9470 -2.9470 -2.6964 -2.6964 -2.4477 -2.4477 -2.0531 -2.0531 -1.8795 -1.8795 -1.6812 -1.6812 -1.5026 -1.5026 -1.2889 -1.2889 -0.6461 -0.6461 -0.6226 -0.6226 -0.5346 -0.5346 -0.5137 -0.5137 -0.3941 -0.3941 -0.2390 -0.2390 2.1036 2.1036 2.2416 2.2416 2.3808 2.3808 2.4033 2.4033 2.4988 2.4988 2.5561 2.5561 3.4349 3.4349 3.5285 3.5285 4.2435 4.2435 4.3743 4.3743 11.5370 11.5370 k = 0.6559-0.1582-0.1096 ( 4066 PWs) bands (ev): -20.3216 -20.3216 -20.2900 -20.2900 -19.9941 -19.9941 -19.9694 -19.9694 -19.9471 -19.9471 -19.9037 -19.9037 -3.8887 -3.8887 -3.8837 -3.8837 -3.4420 -3.4420 -2.9979 -2.9979 -2.9298 -2.9298 -2.6631 -2.6631 -2.4683 -2.4683 -2.0527 -2.0527 -1.8816 -1.8816 -1.6516 -1.6516 -1.4743 -1.4743 -1.2582 -1.2582 -0.6722 -0.6722 -0.6470 -0.6470 -0.5536 -0.5536 -0.5286 -0.5286 -0.4010 -0.4010 -0.2399 -0.2399 2.0876 2.0876 2.2376 2.2376 2.3793 2.3793 2.4025 2.4025 2.5068 2.5068 2.5631 2.5631 3.4098 3.4098 3.5069 3.5069 4.2497 4.2497 4.4074 4.4074 11.5844 11.6011 k = 0.6663-0.1473-0.1021 ( 4067 PWs) bands (ev): -20.3217 -20.3217 -20.2852 -20.2852 -19.9979 -19.9979 -19.9709 -19.9709 -19.9468 -19.9468 -19.9036 -19.9036 -3.9037 -3.9037 -3.8997 -3.8997 -3.4520 -3.4520 -2.9781 -2.9781 -2.9128 -2.9128 -2.6318 -2.6318 -2.4872 -2.4872 -2.0509 -2.0509 -1.8824 -1.8824 -1.6217 -1.6217 -1.4459 -1.4459 -1.2280 -1.2280 -0.7018 -0.7018 -0.6729 -0.6729 -0.5718 -0.5718 -0.5434 -0.5434 -0.4070 -0.4070 -0.2409 -0.2409 2.0715 2.0715 2.2338 2.2338 2.3771 2.3771 2.4019 2.4019 2.5146 2.5146 2.5697 2.5697 3.3860 3.3860 3.4874 3.4874 4.2538 4.2538 4.4400 4.4400 11.6345 11.6345 k = 0.6767-0.1364-0.0945 ( 4065 PWs) bands (ev): -20.3222 -20.3222 -20.2801 -20.2801 -20.0017 -20.0017 -19.9722 -19.9722 -19.9466 -19.9466 -19.9036 -19.9036 -3.9175 -3.9175 -3.9156 -3.9156 -3.4618 -3.4618 -2.9579 -2.9579 -2.8963 -2.8963 -2.6044 -2.6044 -2.5032 -2.5032 -2.0478 -2.0478 -1.8818 -1.8818 -1.5915 -1.5915 -1.4175 -1.4175 -1.1984 -1.1984 -0.7345 -0.7345 -0.7003 -0.7003 -0.5890 -0.5890 -0.5578 -0.5578 -0.4120 -0.4120 -0.2418 -0.2418 2.0554 2.0554 2.2299 2.2299 2.3741 2.3741 2.4017 2.4017 2.5220 2.5220 2.5761 2.5761 3.3636 3.3636 3.4700 3.4700 4.2559 4.2559 4.4721 4.4721 11.6873 11.6873 k = 0.6871-0.1255-0.0870 ( 4060 PWs) bands (ev): -20.3230 -20.3230 -20.2747 -20.2747 -20.0053 -20.0053 -19.9734 -19.9734 -19.9466 -19.9466 -19.9036 -19.9036 -3.9314 -3.9314 -3.9300 -3.9300 -3.4716 -3.4716 -2.9373 -2.9373 -2.8802 -2.8802 -2.5851 -2.5851 -2.5122 -2.5122 -2.0432 -2.0432 -1.8798 -1.8798 -1.5612 -1.5612 -1.3893 -1.3893 -1.1700 -1.1700 -0.7697 -0.7697 -0.7289 -0.7289 -0.6049 -0.6049 -0.5720 -0.5720 -0.4163 -0.4163 -0.2427 -0.2427 2.0392 2.0392 2.2261 2.2261 2.3701 2.3701 2.4021 2.4021 2.5288 2.5288 2.5821 2.5821 3.3425 3.3425 3.4547 3.4547 4.2560 4.2560 4.5036 4.5036 11.7427 11.7427 k = 0.6975-0.1146-0.0794 ( 4058 PWs) bands (ev): -20.3241 -20.3241 -20.2690 -20.2690 -20.0089 -20.0089 -19.9745 -19.9745 -19.9466 -19.9466 -19.9038 -19.9038 -3.9470 -3.9470 -3.9411 -3.9411 -3.4811 -3.4811 -2.9166 -2.9166 -2.8646 -2.8646 -2.5811 -2.5811 -2.5073 -2.5073 -2.0372 -2.0372 -1.8764 -1.8764 -1.5309 -1.5309 -1.3613 -1.3613 -1.1432 -1.1432 -0.8071 -0.8071 -0.7583 -0.7583 -0.6195 -0.6195 -0.5857 -0.5857 -0.4200 -0.4200 -0.2434 -0.2434 2.0230 2.0230 2.2221 2.2221 2.3653 2.3653 2.4031 2.4031 2.5352 2.5352 2.5878 2.5878 3.3230 3.3230 3.4416 3.4416 4.2541 4.2541 4.5345 4.5345 11.8005 11.8005 k = 0.7079-0.1037-0.0718 ( 4054 PWs) bands (ev): -20.3257 -20.3257 -20.2631 -20.2631 -20.0121 -20.0121 -19.9755 -19.9755 -19.9468 -19.9468 -19.9039 -19.9039 -3.9624 -3.9624 -3.9506 -3.9506 -3.4905 -3.4905 -2.8959 -2.8959 -2.8496 -2.8496 -2.5901 -2.5901 -2.4907 -2.4907 -2.0298 -2.0298 -1.8716 -1.8716 -1.5008 -1.5008 -1.3337 -1.3337 -1.1187 -1.1187 -0.8462 -0.8462 -0.7877 -0.7877 -0.6326 -0.6326 -0.5989 -0.5989 -0.4232 -0.4232 -0.2441 -0.2441 2.0068 2.0068 2.2181 2.2181 2.3599 2.3599 2.4047 2.4047 2.5409 2.5409 2.5931 2.5931 3.3049 3.3049 3.4305 3.4305 4.2504 4.2504 4.5648 4.5648 11.8607 11.8797 k = 0.7183-0.0928-0.0643 ( 4059 PWs) bands (ev): -20.3278 -20.3278 -20.2569 -20.2569 -20.0151 -20.0151 -19.9763 -19.9763 -19.9471 -19.9471 -19.9041 -19.9041 -3.9776 -3.9776 -3.9587 -3.9587 -3.4996 -3.4996 -2.8754 -2.8754 -2.8354 -2.8354 -2.6042 -2.6042 -2.4709 -2.4709 -2.0208 -2.0208 -1.8653 -1.8653 -1.4710 -1.4710 -1.3066 -1.3066 -1.0976 -1.0976 -0.8867 -0.8867 -0.8159 -0.8159 -0.6442 -0.6442 -0.6112 -0.6112 -0.4259 -0.4259 -0.2447 -0.2447 1.9907 1.9907 2.2141 2.2141 2.3541 2.3541 2.4067 2.4067 2.5460 2.5460 2.5981 2.5981 3.2882 3.2882 3.4216 3.4216 4.2447 4.2447 4.5943 4.5943 11.9232 11.9412 k = 0.7287-0.0818-0.0567 ( 4053 PWs) bands (ev): -20.3303 -20.3303 -20.2504 -20.2504 -20.0178 -20.0178 -19.9771 -19.9771 -19.9475 -19.9475 -19.9044 -19.9044 -3.9924 -3.9924 -3.9651 -3.9651 -3.5085 -3.5085 -2.8552 -2.8552 -2.8219 -2.8219 -2.6197 -2.6197 -2.4515 -2.4515 -2.0104 -2.0104 -1.8577 -1.8577 -1.4417 -1.4417 -1.2801 -1.2801 -1.0818 -1.0818 -0.9283 -0.9283 -0.8411 -0.8411 -0.6540 -0.6540 -0.6227 -0.6227 -0.4282 -0.4282 -0.2452 -0.2452 1.9747 1.9747 2.2101 2.2101 2.3480 2.3480 2.4091 2.4091 2.5505 2.5505 2.6028 2.6028 3.2729 3.2729 3.4148 3.4148 4.2373 4.2373 4.6232 4.6232 11.9878 12.0037 k = 0.7391-0.0709-0.0492 ( 4055 PWs) bands (ev): -20.3334 -20.3334 -20.2437 -20.2437 -20.0201 -20.0201 -19.9777 -19.9777 -19.9480 -19.9480 -19.9047 -19.9047 -4.0070 -4.0070 -3.9700 -3.9700 -3.5172 -3.5172 -2.8354 -2.8354 -2.8094 -2.8094 -2.6355 -2.6355 -2.4339 -2.4339 -1.9985 -1.9985 -1.8487 -1.8487 -1.4133 -1.4133 -1.2545 -1.2545 -1.0736 -1.0736 -0.9705 -0.9705 -0.8610 -0.8610 -0.6617 -0.6617 -0.6330 -0.6330 -0.4303 -0.4303 -0.2456 -0.2456 1.9587 1.9587 2.2062 2.2062 2.3417 2.3417 2.4117 2.4117 2.5545 2.5545 2.6072 2.6072 3.2591 3.2591 3.4100 3.4100 4.2281 4.2281 4.6512 4.6512 12.0545 12.0545 k = 0.7495-0.0600-0.0416 ( 4056 PWs) bands (ev): -20.3371 -20.3371 -20.2368 -20.2368 -20.0220 -20.0220 -19.9783 -19.9783 -19.9486 -19.9486 -19.9049 -19.9049 -4.0213 -4.0213 -3.9732 -3.9732 -3.5255 -3.5255 -2.8163 -2.8163 -2.7978 -2.7978 -2.6509 -2.6509 -2.4188 -2.4188 -1.9852 -1.9852 -1.8384 -1.8384 -1.3860 -1.3860 -1.2300 -1.2300 -1.0757 -1.0757 -1.0125 -1.0125 -0.8731 -0.8731 -0.6670 -0.6670 -0.6419 -0.6419 -0.4320 -0.4320 -0.2459 -0.2459 1.9429 1.9429 2.2024 2.2024 2.3353 2.3353 2.4145 2.4145 2.5578 2.5578 2.6114 2.6114 3.2466 3.2466 3.4072 3.4072 4.2173 4.2173 4.6785 4.6785 12.1196 12.1198 k = 0.7599-0.0491-0.0340 ( 4064 PWs) bands (ev): -20.3413 -20.3413 -20.2296 -20.2296 -20.0235 -20.0235 -19.9788 -19.9788 -19.9494 -19.9494 -19.9053 -19.9053 -4.0353 -4.0353 -3.9748 -3.9748 -3.5335 -3.5335 -2.7978 -2.7978 -2.7872 -2.7872 -2.6659 -2.6659 -2.4064 -2.4064 -1.9704 -1.9704 -1.8269 -1.8269 -1.3604 -1.3604 -1.2075 -1.2075 -1.0896 -1.0896 -1.0524 -1.0524 -0.8767 -0.8767 -0.6698 -0.6698 -0.6492 -0.6492 -0.4336 -0.4336 -0.2461 -0.2461 1.9272 1.9272 2.1988 2.1988 2.3288 2.3288 2.4174 2.4174 2.5605 2.5605 2.6154 2.6154 3.2354 3.2354 3.4065 3.4065 4.2048 4.2048 4.7050 4.7050 12.1371 12.1371 Writing output data file FeF3.save init_run : 0.21s CPU 0.37s WALL ( 1 calls) electrons : 164.53s CPU 167.26s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 164.53s CPU 167.26s 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 0.00s WALL ( 1 calls) newd : 0.05s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.05s WALL ( 275 calls) cegterg : 149.41s CPU 151.42s WALL ( 403 calls) Called by sum_band: Called by *egterg: h_psi : 93.27s CPU 94.64s WALL ( 6074 calls) s_psi : 4.52s CPU 4.77s WALL ( 6074 calls) g_psi : 0.24s CPU 0.21s WALL ( 5396 calls) cdiaghg : 47.96s CPU 48.59s WALL ( 5671 calls) cegterg:over : 6.24s CPU 6.23s WALL ( 5396 calls) cegterg:upda : 4.66s CPU 4.79s WALL ( 5396 calls) cegterg:last : 3.15s CPU 3.20s WALL ( 953 calls) cdiaghg:chol : 2.71s CPU 2.75s WALL ( 5671 calls) cdiaghg:inve : 1.95s CPU 1.90s WALL ( 5671 calls) cdiaghg:para : 3.04s CPU 3.23s WALL ( 11342 calls) Called by h_psi: h_psi:vloc : 82.50s CPU 83.78s WALL ( 6074 calls) h_psi:vnl : 10.51s CPU 10.61s WALL ( 6074 calls) add_vuspsi : 5.31s CPU 5.24s WALL ( 6074 calls) General routines calbec : 5.18s CPU 5.35s WALL ( 6074 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 77.30s CPU 78.66s WALL ( 753760 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.18s CPU 0.23s WALL ( 550 calls) Parallel routines fft_scatter : 24.03s CPU 24.50s WALL ( 753783 calls) PWSCF : 3m 1.34s CPU 3m23.64s WALL This run was terminated on: 18: 5:19 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=