Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:58:52 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: ./LiRhF6.save/ file F.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized file Rh.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 5S 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 77 77 21 2608 2608 378 Max 78 78 22 2612 2612 380 Sum 2783 2783 775 93943 93943 13637 bravais-lattice index = 14 lattice parameter (alat) = 10.1462 a.u. unit-cell volume = 665.6803 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 3 number of electrons = 62.00 number of Kohn-Sham states= 74 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 412.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.146178 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.562879 celldm(5)= 0.562879 celldm(6)= 0.562879 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.562879 0.826539 0.000000 ) a(3) = ( 0.562879 0.297682 0.771072 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.681008 -0.467084 ) b(2) = ( 0.000000 1.209864 -0.467084 ) b(3) = ( 0.000000 0.000000 1.296896 ) 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 Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 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. # 3 for Rh read from file: /users/gautes/Pseudo/Rh.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 05b2c48bcc7a2cf2a48258d60087199c Pseudo is Ultrasoft + core correction, Zval = 17.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1233 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) Li 3.00 6.94100 Li( 1.00) Rh 17.00 102.90550 Rh( 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= 278 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035971 k( 2) = ( 0.0131579 -0.0089606 -0.0061458), wk = 0.0035971 k( 3) = ( 0.0263158 -0.0179213 -0.0122917), wk = 0.0035971 k( 4) = ( 0.0394737 -0.0268819 -0.0184375), wk = 0.0035971 k( 5) = ( 0.0526316 -0.0358425 -0.0245834), wk = 0.0035971 k( 6) = ( 0.0657895 -0.0448031 -0.0307292), wk = 0.0035971 k( 7) = ( 0.0789474 -0.0537638 -0.0368751), wk = 0.0035971 k( 8) = ( 0.0921053 -0.0627244 -0.0430209), wk = 0.0035971 k( 9) = ( 0.1052632 -0.0716850 -0.0491667), wk = 0.0035971 k( 10) = ( 0.1184210 -0.0806456 -0.0553126), wk = 0.0035971 k( 11) = ( 0.1315790 -0.0896063 -0.0614584), wk = 0.0035971 k( 12) = ( 0.1447368 -0.0985669 -0.0676043), wk = 0.0035971 k( 13) = ( 0.1578947 -0.1075275 -0.0737501), wk = 0.0035971 k( 14) = ( 0.1710526 -0.1164881 -0.0798959), wk = 0.0035971 k( 15) = ( 0.1842105 -0.1254488 -0.0860418), wk = 0.0035971 k( 16) = ( 0.1973684 -0.1344094 -0.0921876), wk = 0.0035971 k( 17) = ( 0.2105263 -0.1433700 -0.0983335), wk = 0.0035971 k( 18) = ( 0.2236842 -0.1523306 -0.1044793), wk = 0.0035971 k( 19) = ( 0.2368421 -0.1612913 -0.1106252), wk = 0.0035971 k( 20) = ( 0.2500000 -0.1702519 -0.1167710), wk = 0.0035971 k( 21) = ( 0.2631579 -0.1792125 -0.1229168), wk = 0.0035971 k( 22) = ( 0.2763158 -0.1881732 -0.1290627), wk = 0.0035971 k( 23) = ( 0.2894737 -0.1971338 -0.1352085), wk = 0.0035971 k( 24) = ( 0.3026316 -0.2060944 -0.1413544), wk = 0.0035971 k( 25) = ( 0.3157895 -0.2150550 -0.1475002), wk = 0.0035971 k( 26) = ( 0.3289474 -0.2240157 -0.1536460), wk = 0.0035971 k( 27) = ( 0.3421053 -0.2329763 -0.1597919), wk = 0.0035971 k( 28) = ( 0.3552632 -0.2419369 -0.1659377), wk = 0.0035971 k( 29) = ( 0.3684211 -0.2508975 -0.1720836), wk = 0.0035971 k( 30) = ( 0.3815789 -0.2598582 -0.1782294), wk = 0.0035971 k( 31) = ( 0.3947368 -0.2688188 -0.1843753), wk = 0.0035971 k( 32) = ( 0.4078947 -0.2777794 -0.1905211), wk = 0.0035971 k( 33) = ( 0.4210526 -0.2867400 -0.1966669), wk = 0.0035971 k( 34) = ( 0.4342105 -0.2957007 -0.2028128), wk = 0.0035971 k( 35) = ( 0.4473684 -0.3046613 -0.2089586), wk = 0.0035971 k( 36) = ( 0.4605263 -0.3136219 -0.2151045), wk = 0.0035971 k( 37) = ( 0.4736842 -0.3225825 -0.2212503), wk = 0.0035971 k( 38) = ( 0.4868421 -0.3315432 -0.2273961), wk = 0.0035971 k( 39) = ( 0.5000000 -0.3405038 -0.2335420), wk = 0.0035971 k( 40) = ( 0.5000000 -0.3405038 -0.2335420), wk = 0.0035971 k( 41) = ( 0.5000000 -0.3310180 -0.2473722), wk = 0.0035971 k( 42) = ( 0.5000000 -0.3215323 -0.2612024), wk = 0.0035971 k( 43) = ( 0.5000000 -0.3120466 -0.2750326), wk = 0.0035971 k( 44) = ( 0.5000000 -0.3025608 -0.2888628), wk = 0.0035971 k( 45) = ( 0.5000000 -0.2930751 -0.3026930), wk = 0.0035971 k( 46) = ( 0.5000000 -0.2835893 -0.3165232), wk = 0.0035971 k( 47) = ( 0.5000000 -0.2741036 -0.3303534), wk = 0.0035971 k( 48) = ( 0.5000000 -0.2646178 -0.3441836), wk = 0.0035971 k( 49) = ( 0.5000000 -0.2551321 -0.3580138), wk = 0.0035971 k( 50) = ( 0.5000000 -0.2456464 -0.3718440), wk = 0.0035971 k( 51) = ( 0.5000000 -0.2361606 -0.3856742), wk = 0.0035971 k( 52) = ( 0.5000000 -0.2266749 -0.3995043), wk = 0.0035971 k( 53) = ( 0.5000000 -0.2171891 -0.4133346), wk = 0.0035971 k( 54) = ( 0.5000000 -0.2077034 -0.4271648), wk = 0.0035971 k( 55) = ( 0.5000000 -0.1982176 -0.4409950), wk = 0.0035971 k( 56) = ( 0.5000000 -0.1887319 -0.4548252), wk = 0.0035971 k( 57) = ( 0.5000000 -0.1792462 -0.4686553), wk = 0.0035971 k( 58) = ( 0.5000000 -0.1697604 -0.4824855), wk = 0.0035971 k( 59) = ( 0.5000000 -0.1602747 -0.4963157), wk = 0.0035971 k( 60) = ( 0.5000000 -0.1507889 -0.5101459), wk = 0.0035971 k( 61) = ( 0.5000000 -0.1413032 -0.5239761), wk = 0.0035971 k( 62) = ( 0.5000000 -0.1318174 -0.5378063), wk = 0.0035971 k( 63) = ( 0.5000000 -0.1223317 -0.5516365), wk = 0.0035971 k( 64) = ( 0.5000000 -0.1128459 -0.5654667), wk = 0.0035971 k( 65) = ( 0.5000000 -0.1033602 -0.5792969), wk = 0.0035971 k( 66) = ( 0.5000000 -0.0938745 -0.5931271), wk = 0.0035971 k( 67) = ( 0.5000000 -0.0843887 -0.6069573), wk = 0.0035971 k( 68) = ( 0.5000000 -0.0749030 -0.6207875), wk = 0.0035971 k( 69) = ( 0.5000000 -0.0654172 -0.6346177), wk = 0.0035971 k( 70) = ( 0.5000000 -0.0559315 -0.6484479), wk = 0.0035971 k( 71) = ( 0.7647899 0.0841044 -0.2857200), wk = 0.0035971 k( 72) = ( 0.7570019 0.0894080 -0.2719823), wk = 0.0035971 k( 73) = ( 0.7492140 0.0947117 -0.2582445), wk = 0.0035971 k( 74) = ( 0.7414260 0.1000153 -0.2445067), wk = 0.0035971 k( 75) = ( 0.7336381 0.1053190 -0.2307690), wk = 0.0035971 k( 76) = ( 0.7258502 0.1106226 -0.2170312), wk = 0.0035971 k( 77) = ( 0.7180622 0.1159263 -0.2032934), wk = 0.0035971 k( 78) = ( 0.7102743 0.1212299 -0.1895557), wk = 0.0035971 k( 79) = ( 0.7024864 0.1265335 -0.1758179), wk = 0.0035971 k( 80) = ( 0.6946984 0.1318372 -0.1620802), wk = 0.0035971 k( 81) = ( 0.6869105 0.1371408 -0.1483424), wk = 0.0035971 k( 82) = ( 0.6791226 0.1424445 -0.1346046), wk = 0.0035971 k( 83) = ( 0.6713346 0.1477481 -0.1208669), wk = 0.0035971 k( 84) = ( 0.6635467 0.1530518 -0.1071291), wk = 0.0035971 k( 85) = ( 0.6557587 0.1583554 -0.0933913), wk = 0.0035971 k( 86) = ( 0.6479708 0.1636591 -0.0796536), wk = 0.0035971 k( 87) = ( 0.6401829 0.1689627 -0.0659158), wk = 0.0035971 k( 88) = ( 0.6323949 0.1742663 -0.0521780), wk = 0.0035971 k( 89) = ( 0.6246070 0.1795700 -0.0384403), wk = 0.0035971 k( 90) = ( 0.6168191 0.1848736 -0.0247025), wk = 0.0035971 k( 91) = ( 0.6090311 0.1901773 -0.0109648), wk = 0.0035971 k( 92) = ( 0.6012432 0.1954809 0.0027730), wk = 0.0035971 k( 93) = ( 0.5934552 0.2007846 0.0165108), wk = 0.0035971 k( 94) = ( 0.5856673 0.2060882 0.0302485), wk = 0.0035971 k( 95) = ( 0.5778794 0.2113919 0.0439863), wk = 0.0035971 k( 96) = ( 0.5700914 0.2166955 0.0577241), wk = 0.0035971 k( 97) = ( 0.5623035 0.2219991 0.0714618), wk = 0.0035971 k( 98) = ( 0.5545156 0.2273028 0.0851996), wk = 0.0035971 k( 99) = ( 0.5467276 0.2326064 0.0989374), wk = 0.0035971 k( 100) = ( 0.5389397 0.2379101 0.1126751), wk = 0.0035971 k( 101) = ( 0.5311518 0.2432137 0.1264129), wk = 0.0035971 k( 102) = ( 0.5233638 0.2485174 0.1401506), wk = 0.0035971 k( 103) = ( 0.5155759 0.2538210 0.1538884), wk = 0.0035971 k( 104) = ( 0.5077879 0.2591246 0.1676262), wk = 0.0035971 k( 105) = ( 0.5000000 0.2644283 0.1813639), wk = 0.0035971 k( 106) = ( 0.5000000 0.2644283 0.1813639), wk = 0.0035971 k( 107) = ( 0.4857143 0.2568732 0.1761821), wk = 0.0035971 k( 108) = ( 0.4714286 0.2493181 0.1710003), wk = 0.0035971 k( 109) = ( 0.4571429 0.2417630 0.1658185), wk = 0.0035971 k( 110) = ( 0.4428571 0.2342079 0.1606366), wk = 0.0035971 k( 111) = ( 0.4285714 0.2266528 0.1554548), wk = 0.0035971 k( 112) = ( 0.4142857 0.2190977 0.1502730), wk = 0.0035971 k( 113) = ( 0.4000000 0.2115426 0.1450912), wk = 0.0035971 k( 114) = ( 0.3857143 0.2039875 0.1399093), wk = 0.0035971 k( 115) = ( 0.3714286 0.1964324 0.1347275), wk = 0.0035971 k( 116) = ( 0.3571429 0.1888774 0.1295457), wk = 0.0035971 k( 117) = ( 0.3428571 0.1813223 0.1243638), wk = 0.0035971 k( 118) = ( 0.3285714 0.1737672 0.1191820), wk = 0.0035971 k( 119) = ( 0.3142857 0.1662121 0.1140002), wk = 0.0035971 k( 120) = ( 0.3000000 0.1586570 0.1088184), wk = 0.0035971 k( 121) = ( 0.2857143 0.1511019 0.1036365), wk = 0.0035971 k( 122) = ( 0.2714286 0.1435468 0.0984547), wk = 0.0035971 k( 123) = ( 0.2571429 0.1359917 0.0932729), wk = 0.0035971 k( 124) = ( 0.2428571 0.1284366 0.0880911), wk = 0.0035971 k( 125) = ( 0.2285714 0.1208815 0.0829092), wk = 0.0035971 k( 126) = ( 0.2142857 0.1133264 0.0777274), wk = 0.0035971 k( 127) = ( 0.2000000 0.1057713 0.0725456), wk = 0.0035971 k( 128) = ( 0.1857143 0.0982162 0.0673638), wk = 0.0035971 k( 129) = ( 0.1714286 0.0906611 0.0621819), wk = 0.0035971 k( 130) = ( 0.1571429 0.0831060 0.0570001), wk = 0.0035971 k( 131) = ( 0.1428571 0.0755509 0.0518183), wk = 0.0035971 k( 132) = ( 0.1285714 0.0679958 0.0466364), wk = 0.0035971 k( 133) = ( 0.1142857 0.0604408 0.0414546), wk = 0.0035971 k( 134) = ( 0.1000000 0.0528857 0.0362728), wk = 0.0035971 k( 135) = ( 0.0857143 0.0453306 0.0310910), wk = 0.0035971 k( 136) = ( 0.0714286 0.0377755 0.0259091), wk = 0.0035971 k( 137) = ( 0.0571429 0.0302204 0.0207273), wk = 0.0035971 k( 138) = ( 0.0428571 0.0226653 0.0155455), wk = 0.0035971 k( 139) = ( 0.0285714 0.0151102 0.0103637), wk = 0.0035971 k( 140) = ( 0.0142857 0.0075551 0.0051818), wk = 0.0035971 k( 141) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035971 k( 142) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035971 k( 143) = ( 0.0078214 -0.0053264 -0.0137968), wk = 0.0035971 k( 144) = ( 0.0156428 -0.0106528 -0.0275935), wk = 0.0035971 k( 145) = ( 0.0234641 -0.0159793 -0.0413903), wk = 0.0035971 k( 146) = ( 0.0312855 -0.0213057 -0.0551871), wk = 0.0035971 k( 147) = ( 0.0391069 -0.0266321 -0.0689838), wk = 0.0035971 k( 148) = ( 0.0469283 -0.0319585 -0.0827806), wk = 0.0035971 k( 149) = ( 0.0547497 -0.0372850 -0.0965773), wk = 0.0035971 k( 150) = ( 0.0625711 -0.0426114 -0.1103741), wk = 0.0035971 k( 151) = ( 0.0703925 -0.0479378 -0.1241709), wk = 0.0035971 k( 152) = ( 0.0782138 -0.0532642 -0.1379676), wk = 0.0035971 k( 153) = ( 0.0860352 -0.0585906 -0.1517644), wk = 0.0035971 k( 154) = ( 0.0938566 -0.0639171 -0.1655612), wk = 0.0035971 k( 155) = ( 0.1016780 -0.0692435 -0.1793579), wk = 0.0035971 k( 156) = ( 0.1094994 -0.0745699 -0.1931547), wk = 0.0035971 k( 157) = ( 0.1173208 -0.0798963 -0.2069515), wk = 0.0035971 k( 158) = ( 0.1251422 -0.0852228 -0.2207482), wk = 0.0035971 k( 159) = ( 0.1329635 -0.0905492 -0.2345450), wk = 0.0035971 k( 160) = ( 0.1407849 -0.0958756 -0.2483418), wk = 0.0035971 k( 161) = ( 0.1486063 -0.1012020 -0.2621385), wk = 0.0035971 k( 162) = ( 0.1564277 -0.1065284 -0.2759353), wk = 0.0035971 k( 163) = ( 0.1642491 -0.1118549 -0.2897320), wk = 0.0035971 k( 164) = ( 0.1720705 -0.1171813 -0.3035288), wk = 0.0035971 k( 165) = ( 0.1798918 -0.1225077 -0.3173256), wk = 0.0035971 k( 166) = ( 0.1877132 -0.1278341 -0.3311223), wk = 0.0035971 k( 167) = ( 0.1955346 -0.1331606 -0.3449191), wk = 0.0035971 k( 168) = ( 0.2033560 -0.1384870 -0.3587159), wk = 0.0035971 k( 169) = ( 0.2111774 -0.1438134 -0.3725126), wk = 0.0035971 k( 170) = ( 0.2189988 -0.1491398 -0.3863094), wk = 0.0035971 k( 171) = ( 0.2268201 -0.1544662 -0.4001062), wk = 0.0035971 k( 172) = ( 0.2346415 -0.1597927 -0.4139029), wk = 0.0035971 k( 173) = ( 0.2424629 -0.1651191 -0.4276997), wk = 0.0035971 k( 174) = ( 0.2502843 -0.1704455 -0.4414964), wk = 0.0035971 k( 175) = ( 0.2581057 -0.1757719 -0.4552932), wk = 0.0035971 k( 176) = ( 0.2659271 -0.1810984 -0.4690900), wk = 0.0035971 k( 177) = ( 0.2737484 -0.1864248 -0.4828867), wk = 0.0035971 k( 178) = ( 0.2815698 -0.1917512 -0.4966835), wk = 0.0035971 k( 179) = ( 0.2893912 -0.1970776 -0.5104803), wk = 0.0035971 k( 180) = ( 0.2972126 -0.2024040 -0.5242770), wk = 0.0035971 k( 181) = ( 0.3050340 -0.2077305 -0.5380738), wk = 0.0035971 k( 182) = ( 0.3128554 -0.2130569 -0.5518706), wk = 0.0035971 k( 183) = ( 0.3206768 -0.2183833 -0.5656673), wk = 0.0035971 k( 184) = ( 0.3284981 -0.2237097 -0.5794641), wk = 0.0035971 k( 185) = ( 0.3363195 -0.2290362 -0.5932609), wk = 0.0035971 k( 186) = ( 0.3441409 -0.2343626 -0.6070576), wk = 0.0035971 k( 187) = ( 0.3519623 -0.2396890 -0.6208544), wk = 0.0035971 k( 188) = ( 0.3597837 -0.2450154 -0.6346511), wk = 0.0035971 k( 189) = ( 0.3676051 -0.2503418 -0.6484479), wk = 0.0035971 k( 190) = ( 0.6323949 0.0140865 -0.4670840), wk = 0.0035971 k( 191) = ( 0.6246070 0.0288124 -0.4670840), wk = 0.0035971 k( 192) = ( 0.6168191 0.0435384 -0.4670840), wk = 0.0035971 k( 193) = ( 0.6090311 0.0582644 -0.4670840), wk = 0.0035971 k( 194) = ( 0.6012432 0.0729904 -0.4670840), wk = 0.0035971 k( 195) = ( 0.5934552 0.0877164 -0.4670840), wk = 0.0035971 k( 196) = ( 0.5856673 0.1024424 -0.4670840), wk = 0.0035971 k( 197) = ( 0.5778794 0.1171684 -0.4670840), wk = 0.0035971 k( 198) = ( 0.5700914 0.1318944 -0.4670840), wk = 0.0035971 k( 199) = ( 0.5623035 0.1466204 -0.4670840), wk = 0.0035971 k( 200) = ( 0.5545156 0.1613464 -0.4670840), wk = 0.0035971 k( 201) = ( 0.5467276 0.1760724 -0.4670840), wk = 0.0035971 k( 202) = ( 0.5389397 0.1907983 -0.4670840), wk = 0.0035971 k( 203) = ( 0.5311518 0.2055243 -0.4670840), wk = 0.0035971 k( 204) = ( 0.5233638 0.2202503 -0.4670840), wk = 0.0035971 k( 205) = ( 0.5155759 0.2349763 -0.4670840), wk = 0.0035971 k( 206) = ( 0.5077879 0.2497023 -0.4670840), wk = 0.0035971 k( 207) = ( 0.5000000 0.2644283 -0.4670840), wk = 0.0035971 k( 208) = ( 0.5000000 0.2644283 -0.4670840), wk = 0.0035971 k( 209) = ( 0.5094568 0.2694296 -0.4541294), wk = 0.0035971 k( 210) = ( 0.5189136 0.2744309 -0.4411748), wk = 0.0035971 k( 211) = ( 0.5283703 0.2794321 -0.4282203), wk = 0.0035971 k( 212) = ( 0.5378271 0.2844334 -0.4152657), wk = 0.0035971 k( 213) = ( 0.5472839 0.2894347 -0.4023111), wk = 0.0035971 k( 214) = ( 0.5567407 0.2944360 -0.3893566), wk = 0.0035971 k( 215) = ( 0.5661975 0.2994373 -0.3764020), wk = 0.0035971 k( 216) = ( 0.5756543 0.3044385 -0.3634474), wk = 0.0035971 k( 217) = ( 0.5851110 0.3094398 -0.3504929), wk = 0.0035971 k( 218) = ( 0.5945678 0.3144411 -0.3375383), wk = 0.0035971 k( 219) = ( 0.6040246 0.3194424 -0.3245837), wk = 0.0035971 k( 220) = ( 0.6134814 0.3244437 -0.3116292), wk = 0.0035971 k( 221) = ( 0.6229381 0.3294449 -0.2986746), wk = 0.0035971 k( 222) = ( 0.6323949 0.3344462 -0.2857200), wk = 0.0035971 k( 223) = ( 0.6323949 0.3344462 -0.2857200), wk = 0.0035971 k( 224) = ( 0.6278296 0.3320318 -0.2696137), wk = 0.0035971 k( 225) = ( 0.6232642 0.3296174 -0.2535074), wk = 0.0035971 k( 226) = ( 0.6186989 0.3272030 -0.2374010), wk = 0.0035971 k( 227) = ( 0.6141336 0.3247886 -0.2212947), wk = 0.0035971 k( 228) = ( 0.6095682 0.3223742 -0.2051883), wk = 0.0035971 k( 229) = ( 0.6050029 0.3199598 -0.1890820), wk = 0.0035971 k( 230) = ( 0.6004375 0.3175454 -0.1729756), wk = 0.0035971 k( 231) = ( 0.5958722 0.3151309 -0.1568693), wk = 0.0035971 k( 232) = ( 0.5913069 0.3127165 -0.1407629), wk = 0.0035971 k( 233) = ( 0.5867415 0.3103021 -0.1246566), wk = 0.0035971 k( 234) = ( 0.5821762 0.3078877 -0.1085503), wk = 0.0035971 k( 235) = ( 0.5776108 0.3054733 -0.0924439), wk = 0.0035971 k( 236) = ( 0.5730455 0.3030589 -0.0763376), wk = 0.0035971 k( 237) = ( 0.5684801 0.3006445 -0.0602312), wk = 0.0035971 k( 238) = ( 0.5639148 0.2982301 -0.0441249), wk = 0.0035971 k( 239) = ( 0.5593495 0.2958156 -0.0280185), wk = 0.0035971 k( 240) = ( 0.5547841 0.2934012 -0.0119122), wk = 0.0035971 k( 241) = ( 0.5502188 0.2909868 0.0041941), wk = 0.0035971 k( 242) = ( 0.5456534 0.2885724 0.0203005), wk = 0.0035971 k( 243) = ( 0.5410881 0.2861580 0.0364068), wk = 0.0035971 k( 244) = ( 0.5365227 0.2837436 0.0525132), wk = 0.0035971 k( 245) = ( 0.5319574 0.2813292 0.0686195), wk = 0.0035971 k( 246) = ( 0.5273921 0.2789148 0.0847259), wk = 0.0035971 k( 247) = ( 0.5228267 0.2765004 0.1008322), wk = 0.0035971 k( 248) = ( 0.5182614 0.2740859 0.1169386), wk = 0.0035971 k( 249) = ( 0.5136960 0.2716715 0.1330449), wk = 0.0035971 k( 250) = ( 0.5091307 0.2692571 0.1491512), wk = 0.0035971 k( 251) = ( 0.5045653 0.2668427 0.1652576), wk = 0.0035971 k( 252) = ( 0.5000000 0.2644283 0.1813639), wk = 0.0035971 k( 253) = ( 0.5000000 -0.3405038 -0.2335420), wk = 0.0035971 k( 254) = ( 0.5105916 -0.3299267 -0.2262874), wk = 0.0035971 k( 255) = ( 0.5211832 -0.3193495 -0.2190329), wk = 0.0035971 k( 256) = ( 0.5317748 -0.3087724 -0.2117783), wk = 0.0035971 k( 257) = ( 0.5423664 -0.2981953 -0.2045238), wk = 0.0035971 k( 258) = ( 0.5529580 -0.2876181 -0.1972692), wk = 0.0035971 k( 259) = ( 0.5635496 -0.2770410 -0.1900146), wk = 0.0035971 k( 260) = ( 0.5741412 -0.2664639 -0.1827601), wk = 0.0035971 k( 261) = ( 0.5847328 -0.2558867 -0.1755055), wk = 0.0035971 k( 262) = ( 0.5953243 -0.2453096 -0.1682510), wk = 0.0035971 k( 263) = ( 0.6059159 -0.2347325 -0.1609964), wk = 0.0035971 k( 264) = ( 0.6165075 -0.2241553 -0.1537419), wk = 0.0035971 k( 265) = ( 0.6270991 -0.2135782 -0.1464873), wk = 0.0035971 k( 266) = ( 0.6376907 -0.2030011 -0.1392327), wk = 0.0035971 k( 267) = ( 0.6482823 -0.1924239 -0.1319782), wk = 0.0035971 k( 268) = ( 0.6588739 -0.1818468 -0.1247236), wk = 0.0035971 k( 269) = ( 0.6694655 -0.1712697 -0.1174691), wk = 0.0035971 k( 270) = ( 0.6800571 -0.1606925 -0.1102145), wk = 0.0035971 k( 271) = ( 0.6906487 -0.1501154 -0.1029599), wk = 0.0035971 k( 272) = ( 0.7012403 -0.1395383 -0.0957054), wk = 0.0035971 k( 273) = ( 0.7118319 -0.1289612 -0.0884508), wk = 0.0035971 k( 274) = ( 0.7224235 -0.1183840 -0.0811963), wk = 0.0035971 k( 275) = ( 0.7330151 -0.1078069 -0.0739417), wk = 0.0035971 k( 276) = ( 0.7436067 -0.0972298 -0.0666872), wk = 0.0035971 k( 277) = ( 0.7541983 -0.0866526 -0.0594326), wk = 0.0035971 k( 278) = ( 0.7647899 -0.0760755 -0.0521780), wk = 0.0035971 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035971 k( 2) = ( 0.0131579 0.0000000 -0.0000000), wk = 0.0035971 k( 3) = ( 0.0263158 0.0000000 0.0000000), wk = 0.0035971 k( 4) = ( 0.0394737 0.0000000 -0.0000000), wk = 0.0035971 k( 5) = ( 0.0526316 0.0000000 0.0000000), wk = 0.0035971 k( 6) = ( 0.0657895 0.0000000 0.0000000), wk = 0.0035971 k( 7) = ( 0.0789474 0.0000000 0.0000000), wk = 0.0035971 k( 8) = ( 0.0921053 -0.0000000 -0.0000000), wk = 0.0035971 k( 9) = ( 0.1052632 0.0000000 0.0000000), wk = 0.0035971 k( 10) = ( 0.1184210 -0.0000000 0.0000000), wk = 0.0035971 k( 11) = ( 0.1315790 0.0000000 -0.0000000), wk = 0.0035971 k( 12) = ( 0.1447368 0.0000000 0.0000000), wk = 0.0035971 k( 13) = ( 0.1578947 0.0000000 0.0000000), wk = 0.0035971 k( 14) = ( 0.1710526 0.0000000 -0.0000000), wk = 0.0035971 k( 15) = ( 0.1842105 0.0000000 0.0000000), wk = 0.0035971 k( 16) = ( 0.1973684 -0.0000000 -0.0000000), wk = 0.0035971 k( 17) = ( 0.2105263 0.0000000 0.0000000), wk = 0.0035971 k( 18) = ( 0.2236842 0.0000000 -0.0000000), wk = 0.0035971 k( 19) = ( 0.2368421 0.0000000 -0.0000000), wk = 0.0035971 k( 20) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0035971 k( 21) = ( 0.2631579 -0.0000000 -0.0000000), wk = 0.0035971 k( 22) = ( 0.2763158 0.0000000 0.0000000), wk = 0.0035971 k( 23) = ( 0.2894737 0.0000000 0.0000000), wk = 0.0035971 k( 24) = ( 0.3026316 0.0000000 0.0000000), wk = 0.0035971 k( 25) = ( 0.3157895 0.0000000 -0.0000000), wk = 0.0035971 k( 26) = ( 0.3289474 0.0000000 -0.0000000), wk = 0.0035971 k( 27) = ( 0.3421053 0.0000000 -0.0000000), wk = 0.0035971 k( 28) = ( 0.3552632 0.0000000 0.0000000), wk = 0.0035971 k( 29) = ( 0.3684211 0.0000000 0.0000000), wk = 0.0035971 k( 30) = ( 0.3815789 0.0000000 -0.0000000), wk = 0.0035971 k( 31) = ( 0.3947368 -0.0000000 -0.0000000), wk = 0.0035971 k( 32) = ( 0.4078947 0.0000000 -0.0000000), wk = 0.0035971 k( 33) = ( 0.4210526 0.0000000 0.0000000), wk = 0.0035971 k( 34) = ( 0.4342105 0.0000000 0.0000000), wk = 0.0035971 k( 35) = ( 0.4473684 0.0000000 -0.0000000), wk = 0.0035971 k( 36) = ( 0.4605263 0.0000000 -0.0000000), wk = 0.0035971 k( 37) = ( 0.4736842 -0.0000000 -0.0000000), wk = 0.0035971 k( 38) = ( 0.4868421 0.0000000 -0.0000000), wk = 0.0035971 k( 39) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0035971 k( 40) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0035971 k( 41) = ( 0.5000000 0.0078403 -0.0078403), wk = 0.0035971 k( 42) = ( 0.5000000 0.0156807 -0.0156807), wk = 0.0035971 k( 43) = ( 0.5000000 0.0235210 -0.0235210), wk = 0.0035971 k( 44) = ( 0.5000000 0.0313614 -0.0313613), wk = 0.0035971 k( 45) = ( 0.5000000 0.0392017 -0.0392017), wk = 0.0035971 k( 46) = ( 0.5000000 0.0470420 -0.0470420), wk = 0.0035971 k( 47) = ( 0.5000000 0.0548824 -0.0548824), wk = 0.0035971 k( 48) = ( 0.5000000 0.0627227 -0.0627227), wk = 0.0035971 k( 49) = ( 0.5000000 0.0705630 -0.0705630), wk = 0.0035971 k( 50) = ( 0.5000000 0.0784034 -0.0784034), wk = 0.0035971 k( 51) = ( 0.5000000 0.0862437 -0.0862437), wk = 0.0035971 k( 52) = ( 0.5000000 0.0940841 -0.0940841), wk = 0.0035971 k( 53) = ( 0.5000000 0.1019244 -0.1019244), wk = 0.0035971 k( 54) = ( 0.5000000 0.1097647 -0.1097647), wk = 0.0035971 k( 55) = ( 0.5000000 0.1176051 -0.1176051), wk = 0.0035971 k( 56) = ( 0.5000000 0.1254454 -0.1254454), wk = 0.0035971 k( 57) = ( 0.5000000 0.1332857 -0.1332857), wk = 0.0035971 k( 58) = ( 0.5000000 0.1411261 -0.1411261), wk = 0.0035971 k( 59) = ( 0.5000000 0.1489664 -0.1489664), wk = 0.0035971 k( 60) = ( 0.5000000 0.1568068 -0.1568068), wk = 0.0035971 k( 61) = ( 0.5000000 0.1646471 -0.1646471), wk = 0.0035971 k( 62) = ( 0.5000000 0.1724874 -0.1724874), wk = 0.0035971 k( 63) = ( 0.5000000 0.1803278 -0.1803278), wk = 0.0035971 k( 64) = ( 0.5000000 0.1881681 -0.1881681), wk = 0.0035971 k( 65) = ( 0.5000000 0.1960085 -0.1960084), wk = 0.0035971 k( 66) = ( 0.5000000 0.2038488 -0.2038488), wk = 0.0035971 k( 67) = ( 0.5000000 0.2116891 -0.2116891), wk = 0.0035971 k( 68) = ( 0.5000000 0.2195295 -0.2195295), wk = 0.0035971 k( 69) = ( 0.5000000 0.2273698 -0.2273698), wk = 0.0035971 k( 70) = ( 0.5000000 0.2352101 -0.2352101), wk = 0.0035971 k( 71) = ( 0.7647899 0.5000000 0.2352101), wk = 0.0035971 k( 72) = ( 0.7570019 0.5000000 0.2429981), wk = 0.0035971 k( 73) = ( 0.7492140 0.5000000 0.2507860), wk = 0.0035971 k( 74) = ( 0.7414260 0.5000000 0.2585739), wk = 0.0035971 k( 75) = ( 0.7336381 0.5000000 0.2663619), wk = 0.0035971 k( 76) = ( 0.7258502 0.5000000 0.2741498), wk = 0.0035971 k( 77) = ( 0.7180622 0.5000000 0.2819378), wk = 0.0035971 k( 78) = ( 0.7102743 0.5000000 0.2897257), wk = 0.0035971 k( 79) = ( 0.7024864 0.5000000 0.2975136), wk = 0.0035971 k( 80) = ( 0.6946984 0.5000000 0.3053016), wk = 0.0035971 k( 81) = ( 0.6869105 0.5000000 0.3130895), wk = 0.0035971 k( 82) = ( 0.6791226 0.5000000 0.3208774), wk = 0.0035971 k( 83) = ( 0.6713346 0.5000000 0.3286654), wk = 0.0035971 k( 84) = ( 0.6635467 0.5000000 0.3364533), wk = 0.0035971 k( 85) = ( 0.6557587 0.5000000 0.3442413), wk = 0.0035971 k( 86) = ( 0.6479708 0.5000000 0.3520292), wk = 0.0035971 k( 87) = ( 0.6401829 0.5000000 0.3598171), wk = 0.0035971 k( 88) = ( 0.6323949 0.5000000 0.3676051), wk = 0.0035971 k( 89) = ( 0.6246070 0.5000000 0.3753930), wk = 0.0035971 k( 90) = ( 0.6168191 0.5000000 0.3831809), wk = 0.0035971 k( 91) = ( 0.6090311 0.5000000 0.3909689), wk = 0.0035971 k( 92) = ( 0.6012432 0.5000000 0.3987568), wk = 0.0035971 k( 93) = ( 0.5934552 0.5000000 0.4065448), wk = 0.0035971 k( 94) = ( 0.5856673 0.5000000 0.4143327), wk = 0.0035971 k( 95) = ( 0.5778794 0.5000000 0.4221206), wk = 0.0035971 k( 96) = ( 0.5700914 0.5000000 0.4299086), wk = 0.0035971 k( 97) = ( 0.5623035 0.5000000 0.4376965), wk = 0.0035971 k( 98) = ( 0.5545156 0.5000000 0.4454844), wk = 0.0035971 k( 99) = ( 0.5467276 0.5000000 0.4532724), wk = 0.0035971 k( 100) = ( 0.5389397 0.5000000 0.4610603), wk = 0.0035971 k( 101) = ( 0.5311518 0.5000000 0.4688483), wk = 0.0035971 k( 102) = ( 0.5233638 0.5000000 0.4766362), wk = 0.0035971 k( 103) = ( 0.5155759 0.5000000 0.4844241), wk = 0.0035971 k( 104) = ( 0.5077879 0.5000000 0.4922121), wk = 0.0035971 k( 105) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035971 k( 106) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035971 k( 107) = ( 0.4857143 0.4857143 0.4857143), wk = 0.0035971 k( 108) = ( 0.4714286 0.4714286 0.4714286), wk = 0.0035971 k( 109) = ( 0.4571429 0.4571429 0.4571429), wk = 0.0035971 k( 110) = ( 0.4428571 0.4428571 0.4428571), wk = 0.0035971 k( 111) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0035971 k( 112) = ( 0.4142857 0.4142857 0.4142857), wk = 0.0035971 k( 113) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0035971 k( 114) = ( 0.3857143 0.3857143 0.3857143), wk = 0.0035971 k( 115) = ( 0.3714286 0.3714286 0.3714286), wk = 0.0035971 k( 116) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0035971 k( 117) = ( 0.3428571 0.3428571 0.3428571), wk = 0.0035971 k( 118) = ( 0.3285714 0.3285714 0.3285714), wk = 0.0035971 k( 119) = ( 0.3142857 0.3142857 0.3142857), wk = 0.0035971 k( 120) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0035971 k( 121) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0035971 k( 122) = ( 0.2714286 0.2714286 0.2714286), wk = 0.0035971 k( 123) = ( 0.2571429 0.2571429 0.2571429), wk = 0.0035971 k( 124) = ( 0.2428571 0.2428571 0.2428571), wk = 0.0035971 k( 125) = ( 0.2285714 0.2285714 0.2285714), wk = 0.0035971 k( 126) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0035971 k( 127) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0035971 k( 128) = ( 0.1857143 0.1857143 0.1857143), wk = 0.0035971 k( 129) = ( 0.1714286 0.1714286 0.1714286), wk = 0.0035971 k( 130) = ( 0.1571429 0.1571429 0.1571429), wk = 0.0035971 k( 131) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0035971 k( 132) = ( 0.1285714 0.1285714 0.1285714), wk = 0.0035971 k( 133) = ( 0.1142857 0.1142857 0.1142857), wk = 0.0035971 k( 134) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0035971 k( 135) = ( 0.0857143 0.0857143 0.0857143), wk = 0.0035971 k( 136) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0035971 k( 137) = ( 0.0571429 0.0571429 0.0571429), wk = 0.0035971 k( 138) = ( 0.0428571 0.0428571 0.0428571), wk = 0.0035971 k( 139) = ( 0.0285714 0.0285714 0.0285714), wk = 0.0035971 k( 140) = ( 0.0142857 0.0142857 0.0142857), wk = 0.0035971 k( 141) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035971 k( 142) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035971 k( 143) = ( 0.0078214 0.0000000 -0.0078214), wk = 0.0035971 k( 144) = ( 0.0156428 0.0000000 -0.0156428), wk = 0.0035971 k( 145) = ( 0.0234641 0.0000000 -0.0234641), wk = 0.0035971 k( 146) = ( 0.0312855 0.0000000 -0.0312855), wk = 0.0035971 k( 147) = ( 0.0391069 -0.0000000 -0.0391069), wk = 0.0035971 k( 148) = ( 0.0469283 0.0000000 -0.0469283), wk = 0.0035971 k( 149) = ( 0.0547497 0.0000000 -0.0547497), wk = 0.0035971 k( 150) = ( 0.0625711 0.0000000 -0.0625711), wk = 0.0035971 k( 151) = ( 0.0703925 0.0000000 -0.0703925), wk = 0.0035971 k( 152) = ( 0.0782138 -0.0000000 -0.0782138), wk = 0.0035971 k( 153) = ( 0.0860352 0.0000000 -0.0860352), wk = 0.0035971 k( 154) = ( 0.0938566 -0.0000000 -0.0938566), wk = 0.0035971 k( 155) = ( 0.1016780 0.0000000 -0.1016780), wk = 0.0035971 k( 156) = ( 0.1094994 0.0000000 -0.1094994), wk = 0.0035971 k( 157) = ( 0.1173208 -0.0000000 -0.1173208), wk = 0.0035971 k( 158) = ( 0.1251422 0.0000000 -0.1251422), wk = 0.0035971 k( 159) = ( 0.1329635 0.0000000 -0.1329635), wk = 0.0035971 k( 160) = ( 0.1407849 0.0000000 -0.1407849), wk = 0.0035971 k( 161) = ( 0.1486063 0.0000000 -0.1486063), wk = 0.0035971 k( 162) = ( 0.1564277 0.0000000 -0.1564277), wk = 0.0035971 k( 163) = ( 0.1642491 0.0000000 -0.1642491), wk = 0.0035971 k( 164) = ( 0.1720705 0.0000000 -0.1720705), wk = 0.0035971 k( 165) = ( 0.1798918 0.0000000 -0.1798918), wk = 0.0035971 k( 166) = ( 0.1877132 0.0000000 -0.1877132), wk = 0.0035971 k( 167) = ( 0.1955346 0.0000000 -0.1955346), wk = 0.0035971 k( 168) = ( 0.2033560 0.0000000 -0.2033560), wk = 0.0035971 k( 169) = ( 0.2111774 0.0000000 -0.2111774), wk = 0.0035971 k( 170) = ( 0.2189988 0.0000000 -0.2189988), wk = 0.0035971 k( 171) = ( 0.2268201 -0.0000000 -0.2268201), wk = 0.0035971 k( 172) = ( 0.2346415 0.0000000 -0.2346415), wk = 0.0035971 k( 173) = ( 0.2424629 0.0000000 -0.2424629), wk = 0.0035971 k( 174) = ( 0.2502843 0.0000000 -0.2502843), wk = 0.0035971 k( 175) = ( 0.2581057 -0.0000000 -0.2581057), wk = 0.0035971 k( 176) = ( 0.2659271 0.0000000 -0.2659271), wk = 0.0035971 k( 177) = ( 0.2737484 0.0000000 -0.2737484), wk = 0.0035971 k( 178) = ( 0.2815698 0.0000000 -0.2815698), wk = 0.0035971 k( 179) = ( 0.2893912 0.0000000 -0.2893912), wk = 0.0035971 k( 180) = ( 0.2972126 0.0000000 -0.2972126), wk = 0.0035971 k( 181) = ( 0.3050340 0.0000000 -0.3050340), wk = 0.0035971 k( 182) = ( 0.3128554 0.0000000 -0.3128554), wk = 0.0035971 k( 183) = ( 0.3206768 0.0000000 -0.3206768), wk = 0.0035971 k( 184) = ( 0.3284981 0.0000000 -0.3284982), wk = 0.0035971 k( 185) = ( 0.3363195 0.0000000 -0.3363195), wk = 0.0035971 k( 186) = ( 0.3441409 0.0000000 -0.3441409), wk = 0.0035971 k( 187) = ( 0.3519623 0.0000000 -0.3519623), wk = 0.0035971 k( 188) = ( 0.3597837 0.0000000 -0.3597837), wk = 0.0035971 k( 189) = ( 0.3676051 0.0000000 -0.3676051), wk = 0.0035971 k( 190) = ( 0.6323949 0.3676051 0.0000000), wk = 0.0035971 k( 191) = ( 0.6246070 0.3753930 0.0000000), wk = 0.0035971 k( 192) = ( 0.6168191 0.3831809 0.0000000), wk = 0.0035971 k( 193) = ( 0.6090311 0.3909689 -0.0000000), wk = 0.0035971 k( 194) = ( 0.6012432 0.3987568 0.0000000), wk = 0.0035971 k( 195) = ( 0.5934552 0.4065448 -0.0000000), wk = 0.0035971 k( 196) = ( 0.5856673 0.4143327 -0.0000000), wk = 0.0035971 k( 197) = ( 0.5778794 0.4221206 0.0000000), wk = 0.0035971 k( 198) = ( 0.5700914 0.4299086 -0.0000000), wk = 0.0035971 k( 199) = ( 0.5623035 0.4376965 -0.0000000), wk = 0.0035971 k( 200) = ( 0.5545156 0.4454844 0.0000000), wk = 0.0035971 k( 201) = ( 0.5467276 0.4532724 -0.0000000), wk = 0.0035971 k( 202) = ( 0.5389397 0.4610603 -0.0000000), wk = 0.0035971 k( 203) = ( 0.5311518 0.4688483 0.0000000), wk = 0.0035971 k( 204) = ( 0.5233638 0.4766362 0.0000000), wk = 0.0035971 k( 205) = ( 0.5155759 0.4844241 -0.0000000), wk = 0.0035971 k( 206) = ( 0.5077879 0.4922121 0.0000000), wk = 0.0035971 k( 207) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0035971 k( 208) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0035971 k( 209) = ( 0.5094568 0.5094568 0.0168007), wk = 0.0035971 k( 210) = ( 0.5189136 0.5189136 0.0336014), wk = 0.0035971 k( 211) = ( 0.5283703 0.5283703 0.0504022), wk = 0.0035971 k( 212) = ( 0.5378271 0.5378271 0.0672029), wk = 0.0035971 k( 213) = ( 0.5472839 0.5472839 0.0840036), wk = 0.0035971 k( 214) = ( 0.5567407 0.5567407 0.1008043), wk = 0.0035971 k( 215) = ( 0.5661975 0.5661975 0.1176051), wk = 0.0035971 k( 216) = ( 0.5756543 0.5756543 0.1344058), wk = 0.0035971 k( 217) = ( 0.5851110 0.5851110 0.1512065), wk = 0.0035971 k( 218) = ( 0.5945678 0.5945678 0.1680072), wk = 0.0035971 k( 219) = ( 0.6040246 0.6040246 0.1848080), wk = 0.0035971 k( 220) = ( 0.6134814 0.6134814 0.2016087), wk = 0.0035971 k( 221) = ( 0.6229381 0.6229381 0.2184094), wk = 0.0035971 k( 222) = ( 0.6323949 0.6323949 0.2352101), wk = 0.0035971 k( 223) = ( 0.6323949 0.6323949 0.2352101), wk = 0.0035971 k( 224) = ( 0.6278296 0.6278296 0.2443408), wk = 0.0035971 k( 225) = ( 0.6232642 0.6232643 0.2534715), wk = 0.0035971 k( 226) = ( 0.6186989 0.6186989 0.2626022), wk = 0.0035971 k( 227) = ( 0.6141336 0.6141336 0.2717329), wk = 0.0035971 k( 228) = ( 0.6095682 0.6095682 0.2808636), wk = 0.0035971 k( 229) = ( 0.6050029 0.6050029 0.2899942), wk = 0.0035971 k( 230) = ( 0.6004375 0.6004375 0.2991249), wk = 0.0035971 k( 231) = ( 0.5958722 0.5958722 0.3082556), wk = 0.0035971 k( 232) = ( 0.5913069 0.5913069 0.3173863), wk = 0.0035971 k( 233) = ( 0.5867415 0.5867415 0.3265170), wk = 0.0035971 k( 234) = ( 0.5821762 0.5821762 0.3356477), wk = 0.0035971 k( 235) = ( 0.5776108 0.5776108 0.3447784), wk = 0.0035971 k( 236) = ( 0.5730455 0.5730455 0.3539090), wk = 0.0035971 k( 237) = ( 0.5684801 0.5684801 0.3630397), wk = 0.0035971 k( 238) = ( 0.5639148 0.5639148 0.3721704), wk = 0.0035971 k( 239) = ( 0.5593495 0.5593495 0.3813011), wk = 0.0035971 k( 240) = ( 0.5547841 0.5547841 0.3904318), wk = 0.0035971 k( 241) = ( 0.5502188 0.5502188 0.3995625), wk = 0.0035971 k( 242) = ( 0.5456534 0.5456534 0.4086932), wk = 0.0035971 k( 243) = ( 0.5410881 0.5410881 0.4178238), wk = 0.0035971 k( 244) = ( 0.5365227 0.5365227 0.4269545), wk = 0.0035971 k( 245) = ( 0.5319574 0.5319574 0.4360852), wk = 0.0035971 k( 246) = ( 0.5273921 0.5273921 0.4452159), wk = 0.0035971 k( 247) = ( 0.5228267 0.5228267 0.4543466), wk = 0.0035971 k( 248) = ( 0.5182614 0.5182614 0.4634773), wk = 0.0035971 k( 249) = ( 0.5136960 0.5136960 0.4726079), wk = 0.0035971 k( 250) = ( 0.5091307 0.5091307 0.4817386), wk = 0.0035971 k( 251) = ( 0.5045653 0.5045653 0.4908693), wk = 0.0035971 k( 252) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035971 k( 253) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0035971 k( 254) = ( 0.5105916 0.0147042 0.0147042), wk = 0.0035971 k( 255) = ( 0.5211832 0.0294084 0.0294084), wk = 0.0035971 k( 256) = ( 0.5317748 0.0441126 0.0441126), wk = 0.0035971 k( 257) = ( 0.5423664 0.0588168 0.0588168), wk = 0.0035971 k( 258) = ( 0.5529580 0.0735210 0.0735210), wk = 0.0035971 k( 259) = ( 0.5635496 0.0882252 0.0882252), wk = 0.0035971 k( 260) = ( 0.5741412 0.1029294 0.1029294), wk = 0.0035971 k( 261) = ( 0.5847328 0.1176336 0.1176336), wk = 0.0035971 k( 262) = ( 0.5953243 0.1323378 0.1323378), wk = 0.0035971 k( 263) = ( 0.6059159 0.1470420 0.1470420), wk = 0.0035971 k( 264) = ( 0.6165075 0.1617462 0.1617462), wk = 0.0035971 k( 265) = ( 0.6270991 0.1764504 0.1764504), wk = 0.0035971 k( 266) = ( 0.6376907 0.1911546 0.1911546), wk = 0.0035971 k( 267) = ( 0.6482823 0.2058588 0.2058588), wk = 0.0035971 k( 268) = ( 0.6588739 0.2205630 0.2205630), wk = 0.0035971 k( 269) = ( 0.6694655 0.2352672 0.2352672), wk = 0.0035971 k( 270) = ( 0.6800571 0.2499715 0.2499714), wk = 0.0035971 k( 271) = ( 0.6906487 0.2646757 0.2646756), wk = 0.0035971 k( 272) = ( 0.7012403 0.2793798 0.2793798), wk = 0.0035971 k( 273) = ( 0.7118319 0.2940840 0.2940841), wk = 0.0035971 k( 274) = ( 0.7224235 0.3087883 0.3087883), wk = 0.0035971 k( 275) = ( 0.7330151 0.3234925 0.3234925), wk = 0.0035971 k( 276) = ( 0.7436067 0.3381967 0.3381967), wk = 0.0035971 k( 277) = ( 0.7541983 0.3529009 0.3529009), wk = 0.0035971 k( 278) = ( 0.7647899 0.3676051 0.3676051), wk = 0.0035971 Dense grid: 93943 G-vectors FFT dimensions: ( 72, 72, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.75 Mb ( 666, 74) NL pseudopotentials 0.67 Mb ( 333, 132) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.02 Mb ( 2610) G-vector shells 0.02 Mb ( 2030) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 3.01 Mb ( 666, 296) Each subspace H/S matrix 0.08 Mb ( 74, 74) Each matrix 0.30 Mb ( 132, 2, 74) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./LiRhF6.save/charge-density.dat Starting wfc are 78 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.7 secs Computing kpt #: 2 total cpu time spent up to now is 5.2 secs Computing kpt #: 3 total cpu time spent up to now is 6.7 secs Computing kpt #: 4 total cpu time spent up to now is 8.2 secs Computing kpt #: 5 total cpu time spent up to now is 9.7 secs Computing kpt #: 6 total cpu time spent up to now is 11.2 secs Computing kpt #: 7 total cpu time spent up to now is 12.8 secs Computing kpt #: 8 total cpu time spent up to now is 14.2 secs Computing kpt #: 9 total cpu time spent up to now is 15.7 secs Computing kpt #: 10 total cpu time spent up to now is 17.1 secs Computing kpt #: 11 total cpu time spent up to now is 18.5 secs Computing kpt #: 12 total cpu time spent up to now is 19.8 secs Computing kpt #: 13 total cpu time spent up to now is 20.9 secs Computing kpt #: 14 total cpu time spent up to now is 22.1 secs Computing kpt #: 15 total cpu time spent up to now is 23.3 secs Computing kpt #: 16 total cpu time spent up to now is 24.5 secs Computing kpt #: 17 total cpu time spent up to now is 25.7 secs Computing kpt #: 18 total cpu time spent up to now is 27.0 secs Computing kpt #: 19 total cpu time spent up to now is 28.2 secs Computing kpt #: 20 total cpu time spent up to now is 29.4 secs Computing kpt #: 21 total cpu time spent up to now is 30.8 secs Computing kpt #: 22 total cpu time spent up to now is 32.2 secs Computing kpt #: 23 total cpu time spent up to now is 33.6 secs Computing kpt #: 24 total cpu time spent up to now is 35.0 secs Computing kpt #: 25 total cpu time spent up to now is 36.4 secs Computing kpt #: 26 total cpu time spent up to now is 37.9 secs Computing kpt #: 27 total cpu time spent up to now is 39.3 secs Computing kpt #: 28 total cpu time spent up to now is 40.8 secs Computing kpt #: 29 total cpu time spent up to now is 42.3 secs Computing kpt #: 30 total cpu time spent up to now is 43.7 secs Computing kpt #: 31 total cpu time spent up to now is 45.3 secs Computing kpt #: 32 total cpu time spent up to now is 47.1 secs Computing kpt #: 33 total cpu time spent up to now is 48.7 secs Computing kpt #: 34 total cpu time spent up to now is 50.3 secs Computing kpt #: 35 total cpu time spent up to now is 51.8 secs Computing kpt #: 36 total cpu time spent up to now is 53.3 secs Computing kpt #: 37 total cpu time spent up to now is 54.8 secs Computing kpt #: 38 total cpu time spent up to now is 56.3 secs Computing kpt #: 39 total cpu time spent up to now is 57.8 secs Computing kpt #: 40 total cpu time spent up to now is 59.3 secs Computing kpt #: 41 total cpu time spent up to now is 60.8 secs Computing kpt #: 42 total cpu time spent up to now is 62.3 secs Computing kpt #: 43 total cpu time spent up to now is 63.8 secs Computing kpt #: 44 total cpu time spent up to now is 65.2 secs Computing kpt #: 45 total cpu time spent up to now is 66.7 secs Computing kpt #: 46 total cpu time spent up to now is 68.1 secs Computing kpt #: 47 total cpu time spent up to now is 69.5 secs Computing kpt #: 48 total cpu time spent up to now is 70.8 secs Computing kpt #: 49 total cpu time spent up to now is 72.2 secs Computing kpt #: 50 total cpu time spent up to now is 73.4 secs Computing kpt #: 51 total cpu time spent up to now is 74.6 secs Computing kpt #: 52 total cpu time spent up to now is 75.8 secs Computing kpt #: 53 total cpu time spent up to now is 77.0 secs Computing kpt #: 54 total cpu time spent up to now is 78.2 secs Computing kpt #: 55 total cpu time spent up to now is 79.4 secs Computing kpt #: 56 total cpu time spent up to now is 80.6 secs Computing kpt #: 57 total cpu time spent up to now is 81.8 secs Computing kpt #: 58 total cpu time spent up to now is 83.0 secs Computing kpt #: 59 total cpu time spent up to now is 84.3 secs Computing kpt #: 60 total cpu time spent up to now is 85.5 secs Computing kpt #: 61 total cpu time spent up to now is 86.7 secs Computing kpt #: 62 total cpu time spent up to now is 87.9 secs Computing kpt #: 63 total cpu time spent up to now is 89.1 secs Computing kpt #: 64 total cpu time spent up to now is 90.3 secs Computing kpt #: 65 total cpu time spent up to now is 91.5 secs Computing kpt #: 66 total cpu time spent up to now is 92.7 secs Computing kpt #: 67 total cpu time spent up to now is 93.8 secs Computing kpt #: 68 total cpu time spent up to now is 95.0 secs Computing kpt #: 69 total cpu time spent up to now is 96.1 secs Computing kpt #: 70 total cpu time spent up to now is 97.3 secs Computing kpt #: 71 total cpu time spent up to now is 98.5 secs Computing kpt #: 72 total cpu time spent up to now is 99.6 secs Computing kpt #: 73 total cpu time spent up to now is 100.8 secs Computing kpt #: 74 total cpu time spent up to now is 102.0 secs Computing kpt #: 75 total cpu time spent up to now is 103.1 secs Computing kpt #: 76 total cpu time spent up to now is 104.3 secs Computing kpt #: 77 total cpu time spent up to now is 105.5 secs Computing kpt #: 78 total cpu time spent up to now is 106.6 secs Computing kpt #: 79 total cpu time spent up to now is 107.8 secs Computing kpt #: 80 total cpu time spent up to now is 109.0 secs Computing kpt #: 81 total cpu time spent up to now is 110.2 secs Computing kpt #: 82 total cpu time spent up to now is 111.4 secs Computing kpt #: 83 total cpu time spent up to now is 112.5 secs Computing kpt #: 84 total cpu time spent up to now is 113.7 secs Computing kpt #: 85 total cpu time spent up to now is 114.9 secs Computing kpt #: 86 total cpu time spent up to now is 116.1 secs Computing kpt #: 87 total cpu time spent up to now is 117.3 secs Computing kpt #: 88 total cpu time spent up to now is 118.5 secs Computing kpt #: 89 total cpu time spent up to now is 119.7 secs Computing kpt #: 90 total cpu time spent up to now is 120.9 secs Computing kpt #: 91 total cpu time spent up to now is 122.1 secs Computing kpt #: 92 total cpu time spent up to now is 123.5 secs Computing kpt #: 93 total cpu time spent up to now is 124.9 secs Computing kpt #: 94 total cpu time spent up to now is 126.3 secs Computing kpt #: 95 total cpu time spent up to now is 127.7 secs Computing kpt #: 96 total cpu time spent up to now is 129.2 secs Computing kpt #: 97 total cpu time spent up to now is 130.8 secs Computing kpt #: 98 total cpu time spent up to now is 132.6 secs Computing kpt #: 99 total cpu time spent up to now is 134.5 secs Computing kpt #: 100 total cpu time spent up to now is 136.5 secs Computing kpt #: 101 total cpu time spent up to now is 138.5 secs Computing kpt #: 102 total cpu time spent up to now is 140.4 secs Computing kpt #: 103 total cpu time spent up to now is 142.3 secs Computing kpt #: 104 total cpu time spent up to now is 144.4 secs Computing kpt #: 105 total cpu time spent up to now is 146.3 secs Computing kpt #: 106 total cpu time spent up to now is 148.2 secs Computing kpt #: 107 total cpu time spent up to now is 150.2 secs Computing kpt #: 108 total cpu time spent up to now is 152.5 secs Computing kpt #: 109 total cpu time spent up to now is 155.3 secs Computing kpt #: 110 total cpu time spent up to now is 157.4 secs Computing kpt #: 111 total cpu time spent up to now is 159.7 secs Computing kpt #: 112 total cpu time spent up to now is 162.1 secs Computing kpt #: 113 total cpu time spent up to now is 165.4 secs Computing kpt #: 114 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 168.8 secs Computing kpt #: 115 total cpu time spent up to now is 170.6 secs Computing kpt #: 116 total cpu time spent up to now is 173.5 secs Computing kpt #: 117 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 176.9 secs Computing kpt #: 118 total cpu time spent up to now is 179.7 secs Computing kpt #: 119 total cpu time spent up to now is 182.0 secs Computing kpt #: 120 total cpu time spent up to now is 184.0 secs Computing kpt #: 121 total cpu time spent up to now is 186.4 secs Computing kpt #: 122 total cpu time spent up to now is 188.7 secs Computing kpt #: 123 total cpu time spent up to now is 190.7 secs Computing kpt #: 124 total cpu time spent up to now is 192.7 secs Computing kpt #: 125 total cpu time spent up to now is 194.7 secs Computing kpt #: 126 total cpu time spent up to now is 196.6 secs Computing kpt #: 127 total cpu time spent up to now is 198.4 secs Computing kpt #: 128 total cpu time spent up to now is 200.0 secs Computing kpt #: 129 total cpu time spent up to now is 201.5 secs Computing kpt #: 130 total cpu time spent up to now is 203.1 secs Computing kpt #: 131 total cpu time spent up to now is 204.7 secs Computing kpt #: 132 total cpu time spent up to now is 206.2 secs Computing kpt #: 133 total cpu time spent up to now is 207.8 secs Computing kpt #: 134 total cpu time spent up to now is 209.3 secs Computing kpt #: 135 total cpu time spent up to now is 210.8 secs Computing kpt #: 136 total cpu time spent up to now is 212.5 secs Computing kpt #: 137 total cpu time spent up to now is 214.4 secs Computing kpt #: 138 total cpu time spent up to now is 215.9 secs Computing kpt #: 139 total cpu time spent up to now is 217.4 secs Computing kpt #: 140 total cpu time spent up to now is 218.9 secs Computing kpt #: 141 total cpu time spent up to now is 220.4 secs Computing kpt #: 142 total cpu time spent up to now is 221.9 secs Computing kpt #: 143 total cpu time spent up to now is 223.3 secs Computing kpt #: 144 total cpu time spent up to now is 224.8 secs Computing kpt #: 145 total cpu time spent up to now is 226.3 secs Computing kpt #: 146 total cpu time spent up to now is 227.8 secs Computing kpt #: 147 total cpu time spent up to now is 229.3 secs Computing kpt #: 148 total cpu time spent up to now is 230.8 secs Computing kpt #: 149 total cpu time spent up to now is 232.4 secs Computing kpt #: 150 total cpu time spent up to now is 233.9 secs Computing kpt #: 151 total cpu time spent up to now is 235.4 secs Computing kpt #: 152 total cpu time spent up to now is 236.8 secs Computing kpt #: 153 total cpu time spent up to now is 238.3 secs Computing kpt #: 154 total cpu time spent up to now is 239.8 secs Computing kpt #: 155 total cpu time spent up to now is 241.2 secs Computing kpt #: 156 total cpu time spent up to now is 242.6 secs Computing kpt #: 157 total cpu time spent up to now is 244.1 secs Computing kpt #: 158 total cpu time spent up to now is 245.5 secs Computing kpt #: 159 total cpu time spent up to now is 247.0 secs Computing kpt #: 160 total cpu time spent up to now is 248.5 secs Computing kpt #: 161 total cpu time spent up to now is 250.0 secs Computing kpt #: 162 total cpu time spent up to now is 251.2 secs Computing kpt #: 163 total cpu time spent up to now is 252.4 secs Computing kpt #: 164 total cpu time spent up to now is 253.6 secs Computing kpt #: 165 total cpu time spent up to now is 254.8 secs Computing kpt #: 166 total cpu time spent up to now is 255.9 secs Computing kpt #: 167 total cpu time spent up to now is 257.1 secs Computing kpt #: 168 total cpu time spent up to now is 258.3 secs Computing kpt #: 169 total cpu time spent up to now is 259.4 secs Computing kpt #: 170 total cpu time spent up to now is 260.5 secs Computing kpt #: 171 total cpu time spent up to now is 261.7 secs Computing kpt #: 172 total cpu time spent up to now is 262.8 secs Computing kpt #: 173 total cpu time spent up to now is 263.9 secs Computing kpt #: 174 total cpu time spent up to now is 265.1 secs Computing kpt #: 175 total cpu time spent up to now is 266.2 secs Computing kpt #: 176 total cpu time spent up to now is 267.3 secs Computing kpt #: 177 total cpu time spent up to now is 268.4 secs Computing kpt #: 178 total cpu time spent up to now is 269.5 secs Computing kpt #: 179 total cpu time spent up to now is 270.6 secs Computing kpt #: 180 total cpu time spent up to now is 271.8 secs Computing kpt #: 181 total cpu time spent up to now is 272.9 secs Computing kpt #: 182 total cpu time spent up to now is 274.0 secs Computing kpt #: 183 total cpu time spent up to now is 275.1 secs Computing kpt #: 184 total cpu time spent up to now is 276.2 secs Computing kpt #: 185 total cpu time spent up to now is 277.3 secs Computing kpt #: 186 total cpu time spent up to now is 278.5 secs Computing kpt #: 187 total cpu time spent up to now is 279.6 secs Computing kpt #: 188 total cpu time spent up to now is 280.7 secs Computing kpt #: 189 total cpu time spent up to now is 281.8 secs Computing kpt #: 190 total cpu time spent up to now is 282.9 secs Computing kpt #: 191 total cpu time spent up to now is 284.1 secs Computing kpt #: 192 total cpu time spent up to now is 285.2 secs Computing kpt #: 193 total cpu time spent up to now is 286.3 secs Computing kpt #: 194 total cpu time spent up to now is 287.4 secs Computing kpt #: 195 total cpu time spent up to now is 288.6 secs Computing kpt #: 196 total cpu time spent up to now is 289.7 secs Computing kpt #: 197 total cpu time spent up to now is 290.8 secs Computing kpt #: 198 total cpu time spent up to now is 292.0 secs Computing kpt #: 199 total cpu time spent up to now is 293.2 secs Computing kpt #: 200 total cpu time spent up to now is 294.3 secs Computing kpt #: 201 total cpu time spent up to now is 295.5 secs Computing kpt #: 202 total cpu time spent up to now is 296.7 secs Computing kpt #: 203 total cpu time spent up to now is 297.9 secs Computing kpt #: 204 total cpu time spent up to now is 299.4 secs Computing kpt #: 205 total cpu time spent up to now is 300.8 secs Computing kpt #: 206 total cpu time spent up to now is 302.3 secs Computing kpt #: 207 total cpu time spent up to now is 303.7 secs Computing kpt #: 208 total cpu time spent up to now is 305.2 secs Computing kpt #: 209 total cpu time spent up to now is 306.4 secs Computing kpt #: 210 total cpu time spent up to now is 307.6 secs Computing kpt #: 211 total cpu time spent up to now is 308.8 secs Computing kpt #: 212 total cpu time spent up to now is 309.9 secs Computing kpt #: 213 total cpu time spent up to now is 311.1 secs Computing kpt #: 214 total cpu time spent up to now is 312.2 secs Computing kpt #: 215 total cpu time spent up to now is 313.4 secs Computing kpt #: 216 total cpu time spent up to now is 314.5 secs Computing kpt #: 217 total cpu time spent up to now is 315.6 secs Computing kpt #: 218 total cpu time spent up to now is 316.8 secs Computing kpt #: 219 total cpu time spent up to now is 317.9 secs Computing kpt #: 220 total cpu time spent up to now is 319.0 secs Computing kpt #: 221 total cpu time spent up to now is 320.1 secs Computing kpt #: 222 total cpu time spent up to now is 321.3 secs Computing kpt #: 223 total cpu time spent up to now is 322.4 secs Computing kpt #: 224 total cpu time spent up to now is 323.5 secs Computing kpt #: 225 total cpu time spent up to now is 324.6 secs Computing kpt #: 226 total cpu time spent up to now is 325.7 secs Computing kpt #: 227 total cpu time spent up to now is 326.9 secs Computing kpt #: 228 total cpu time spent up to now is 328.0 secs Computing kpt #: 229 total cpu time spent up to now is 329.1 secs Computing kpt #: 230 total cpu time spent up to now is 330.3 secs Computing kpt #: 231 total cpu time spent up to now is 331.4 secs Computing kpt #: 232 total cpu time spent up to now is 332.5 secs Computing kpt #: 233 total cpu time spent up to now is 333.7 secs Computing kpt #: 234 total cpu time spent up to now is 334.8 secs Computing kpt #: 235 total cpu time spent up to now is 335.9 secs Computing kpt #: 236 total cpu time spent up to now is 337.1 secs Computing kpt #: 237 total cpu time spent up to now is 338.2 secs Computing kpt #: 238 total cpu time spent up to now is 339.4 secs Computing kpt #: 239 total cpu time spent up to now is 340.5 secs Computing kpt #: 240 total cpu time spent up to now is 341.7 secs Computing kpt #: 241 total cpu time spent up to now is 343.1 secs Computing kpt #: 242 total cpu time spent up to now is 344.5 secs Computing kpt #: 243 total cpu time spent up to now is 345.9 secs Computing kpt #: 244 total cpu time spent up to now is 347.4 secs Computing kpt #: 245 total cpu time spent up to now is 349.0 secs Computing kpt #: 246 total cpu time spent up to now is 350.6 secs Computing kpt #: 247 total cpu time spent up to now is 352.5 secs Computing kpt #: 248 total cpu time spent up to now is 354.3 secs Computing kpt #: 249 total cpu time spent up to now is 356.2 secs Computing kpt #: 250 total cpu time spent up to now is 358.0 secs Computing kpt #: 251 total cpu time spent up to now is 360.0 secs Computing kpt #: 252 total cpu time spent up to now is 361.9 secs Computing kpt #: 253 total cpu time spent up to now is 363.4 secs Computing kpt #: 254 total cpu time spent up to now is 364.9 secs Computing kpt #: 255 total cpu time spent up to now is 366.4 secs Computing kpt #: 256 total cpu time spent up to now is 367.9 secs Computing kpt #: 257 total cpu time spent up to now is 369.4 secs Computing kpt #: 258 total cpu time spent up to now is 370.8 secs Computing kpt #: 259 total cpu time spent up to now is 372.2 secs Computing kpt #: 260 total cpu time spent up to now is 373.6 secs Computing kpt #: 261 total cpu time spent up to now is 375.0 secs Computing kpt #: 262 total cpu time spent up to now is 376.3 secs Computing kpt #: 263 total cpu time spent up to now is 377.5 secs Computing kpt #: 264 total cpu time spent up to now is 378.7 secs Computing kpt #: 265 total cpu time spent up to now is 379.8 secs Computing kpt #: 266 total cpu time spent up to now is 381.0 secs Computing kpt #: 267 total cpu time spent up to now is 382.2 secs Computing kpt #: 268 total cpu time spent up to now is 383.4 secs Computing kpt #: 269 total cpu time spent up to now is 384.5 secs Computing kpt #: 270 total cpu time spent up to now is 385.6 secs Computing kpt #: 271 total cpu time spent up to now is 386.8 secs Computing kpt #: 272 total cpu time spent up to now is 387.9 secs Computing kpt #: 273 total cpu time spent up to now is 389.1 secs Computing kpt #: 274 total cpu time spent up to now is 390.2 secs Computing kpt #: 275 total cpu time spent up to now is 391.3 secs Computing kpt #: 276 total cpu time spent up to now is 392.4 secs Computing kpt #: 277 total cpu time spent up to now is 393.5 secs Computing kpt #: 278 total cpu time spent up to now is 394.7 secs ethr = 1.61E-08, avg # of iterations = 26.2 total cpu time spent up to now is 394.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 11739 PWs) bands (ev): -77.9658 -77.9658 -48.5110 -48.5110 -44.6126 -44.6126 -44.5745 -44.5745 -40.1773 -40.1773 -20.1653 -20.1653 -19.6561 -19.6561 -19.6560 -19.6560 -19.3459 -19.3459 -19.2799 -19.2799 -19.2563 -19.2563 -4.0834 -4.0834 -4.0702 -4.0702 -3.3285 -3.3285 -3.0983 -3.0983 -3.0163 -3.0163 -2.9552 -2.9552 -1.9738 -1.9738 -1.9093 -1.9093 -1.6586 -1.6586 -0.5626 -0.5626 -0.0186 -0.0186 -0.0129 -0.0129 0.0002 0.0002 0.1566 0.1566 0.2045 0.2045 0.2132 0.2132 0.3679 0.3679 0.3877 0.3877 1.9942 1.9942 2.1255 2.1255 2.2936 2.2936 5.7035 5.7035 5.7058 5.7058 9.7842 9.7842 14.8145 14.8145 15.9467 15.9467 k = 0.0132-0.0090-0.0061 ( 11757 PWs) bands (ev): -77.9658 -77.9658 -48.5110 -48.5110 -44.6126 -44.6126 -44.5745 -44.5745 -40.1773 -40.1773 -20.1650 -20.1650 -19.6561 -19.6561 -19.6561 -19.6561 -19.3459 -19.3459 -19.2800 -19.2800 -19.2565 -19.2565 -4.0837 -4.0837 -4.0704 -4.0704 -3.3281 -3.3281 -3.0985 -3.0985 -3.0165 -3.0165 -2.9552 -2.9552 -1.9730 -1.9730 -1.9086 -1.9086 -1.6579 -1.6579 -0.5621 -0.5621 -0.0215 -0.0215 -0.0149 -0.0149 0.0042 0.0042 0.1558 0.1558 0.2033 0.2033 0.2118 0.2118 0.3685 0.3685 0.3882 0.3882 1.9946 1.9946 2.1256 2.1256 2.2937 2.2937 5.7032 5.7032 5.7056 5.7056 9.7865 9.7865 14.8160 14.8160 15.9446 15.9446 k = 0.0263-0.0179-0.0123 ( 11762 PWs) bands (ev): -77.9658 -77.9658 -48.5110 -48.5110 -44.6126 -44.6126 -44.5745 -44.5745 -40.1773 -40.1773 -20.1642 -20.1642 -19.6564 -19.6564 -19.6562 -19.6562 -19.3458 -19.3458 -19.2802 -19.2802 -19.2568 -19.2568 -4.0843 -4.0843 -4.0712 -4.0712 -3.3268 -3.3268 -3.0990 -3.0990 -3.0171 -3.0171 -2.9551 -2.9551 -1.9709 -1.9709 -1.9062 -1.9062 -1.6559 -1.6559 -0.5609 -0.5609 -0.0295 -0.0295 -0.0168 -0.0168 0.0112 0.0112 0.1533 0.1533 0.1996 0.1996 0.2083 0.2083 0.3701 0.3701 0.3895 0.3895 1.9961 1.9961 2.1258 2.1258 2.2942 2.2942 5.7023 5.7023 5.7048 5.7048 9.7935 9.7935 14.8207 14.8207 15.9378 15.9378 k = 0.0395-0.0269-0.0184 ( 11765 PWs) bands (ev): -77.9658 -77.9658 -48.5110 -48.5110 -44.6126 -44.6126 -44.5745 -44.5745 -40.1773 -40.1773 -20.1630 -20.1630 -19.6569 -19.6569 -19.6564 -19.6564 -19.3457 -19.3457 -19.2805 -19.2805 -19.2573 -19.2573 -4.0855 -4.0855 -4.0724 -4.0724 -3.3246 -3.3246 -3.0998 -3.0998 -3.0181 -3.0181 -2.9548 -2.9548 -1.9677 -1.9677 -1.9020 -1.9020 -1.6525 -1.6525 -0.5589 -0.5589 -0.0397 -0.0397 -0.0186 -0.0186 0.0182 0.0182 0.1492 0.1492 0.1930 0.1930 0.2038 0.2038 0.3725 0.3725 0.3917 0.3917 1.9984 1.9984 2.1262 2.1262 2.2949 2.2949 5.7007 5.7007 5.7036 5.7036 9.8051 9.8051 14.8284 14.8284 15.9252 15.9252 k = 0.0526-0.0358-0.0246 ( 11762 PWs) bands (ev): -77.9658 -77.9658 -48.5110 -48.5110 -44.6126 -44.6126 -44.5745 -44.5745 -40.1773 -40.1773 -20.1612 -20.1612 -19.6577 -19.6577 -19.6566 -19.6566 -19.3455 -19.3455 -19.2811 -19.2811 -19.2579 -19.2579 -4.0872 -4.0872 -4.0741 -4.0741 -3.3216 -3.3216 -3.1011 -3.1011 -3.0195 -3.0195 -2.9541 -2.9541 -1.9638 -1.9638 -1.8956 -1.8956 -1.6478 -1.6478 -0.5560 -0.5560 -0.0510 -0.0510 -0.0210 -0.0210 0.0243 0.0243 0.1436 0.1436 0.1834 0.1834 0.1991 0.1991 0.3753 0.3753 0.3945 0.3945 2.0015 2.0015 2.1268 2.1268 2.2959 2.2959 5.6983 5.6983 5.7020 5.7020 9.8214 9.8214 14.8392 14.8392 15.9047 15.9047 k = 0.0658-0.0448-0.0307 ( 11762 PWs) bands (ev): -77.9658 -77.9658 -48.5110 -48.5110 -44.6126 -44.6126 -44.5745 -44.5745 -40.1773 -40.1773 -20.1589 -20.1589 -19.6586 -19.6586 -19.6569 -19.6569 -19.3454 -19.3454 -19.2818 -19.2818 -19.2586 -19.2586 -4.0894 -4.0894 -4.0761 -4.0761 -3.3177 -3.3177 -3.1030 -3.1030 -3.0212 -3.0212 -2.9529 -2.9529 -1.9600 -1.9600 -1.8869 -1.8869 -1.6418 -1.6418 -0.5524 -0.5524 -0.0634 -0.0634 -0.0241 -0.0241 0.0288 0.0288 0.1370 0.1370 0.1719 0.1719 0.1945 0.1945 0.3781 0.3781 0.3976 0.3976 2.0055 2.0055 2.1274 2.1274 2.2973 2.2973 5.6952 5.6952 5.7002 5.7002 9.8422 9.8422 14.8530 14.8530 15.8742 15.8742 k = 0.0789-0.0538-0.0369 ( 11763 PWs) bands (ev): -77.9658 -77.9658 -48.5110 -48.5110 -44.6126 -44.6126 -44.5745 -44.5745 -40.1773 -40.1773 -20.1561 -20.1561 -19.6597 -19.6597 -19.6573 -19.6573 -19.3452 -19.3452 -19.2828 -19.2828 -19.2593 -19.2593 -4.0923 -4.0923 -4.0784 -4.0784 -3.3130 -3.3130 -3.1055 -3.1055 -3.0230 -3.0230 -2.9508 -2.9508 -1.9565 -1.9565 -1.8756 -1.8756 -1.6344 -1.6344 -0.5480 -0.5480 -0.0770 -0.0770 -0.0280 -0.0280 0.0308 0.0308 0.1298 0.1298 0.1598 0.1598 0.1900 0.1900 0.3807 0.3807 0.4009 0.4009 2.0101 2.0101 2.1282 2.1282 2.2990 2.2990 5.6913 5.6913 5.6981 5.6981 9.8675 9.8675 14.8696 14.8696 15.8321 15.8321 k = 0.0921-0.0627-0.0430 ( 11761 PWs) bands (ev): -77.9658 -77.9658 -48.5110 -48.5110 -44.6126 -44.6126 -44.5745 -44.5745 -40.1773 -40.1773 -20.1528 -20.1528 -19.6610 -19.6610 -19.6577 -19.6577 -19.3452 -19.3452 -19.2840 -19.2840 -19.2600 -19.2600 -4.0959 -4.0959 -4.0809 -4.0809 -3.3076 -3.3076 -3.1089 -3.1089 -3.0247 -3.0247 -2.9478 -2.9478 -1.9537 -1.9537 -1.8618 -1.8618 -1.6257 -1.6257 -0.5430 -0.5430 -0.0918 -0.0918 -0.0329 -0.0329 0.0292 0.0292 0.1228 0.1228 0.1484 0.1484 0.1856 0.1856 0.3830 0.3830 0.4041 0.4041 2.0153 2.0153 2.1290 2.1290 2.3010 2.3010 5.6867 5.6867 5.6957 5.6957 9.8973 9.8973 14.8889 14.8889 15.7782 15.7782 k = 0.1053-0.0717-0.0492 ( 11761 PWs) bands (ev): -77.9658 -77.9658 -48.5110 -48.5110 -44.6126 -44.6126 -44.5745 -44.5745 -40.1773 -40.1773 -20.1491 -20.1491 -19.6624 -19.6624 -19.6582 -19.6582 -19.3453 -19.3453 -19.2855 -19.2855 -19.2606 -19.2606 -4.1001 -4.1001 -4.0837 -4.0837 -3.3013 -3.3013 -3.1132 -3.1132 -3.0260 -3.0260 -2.9438 -2.9438 -1.9516 -1.9516 -1.8457 -1.8457 -1.6158 -1.6158 -0.5374 -0.5374 -0.1078 -0.1078 -0.0395 -0.0395 0.0233 0.0233 0.1161 0.1161 0.1396 0.1396 0.1814 0.1814 0.3847 0.3847 0.4070 0.4070 2.0209 2.0209 2.1298 2.1298 2.3035 2.3035 5.6814 5.6814 5.6931 5.6931 9.9315 9.9315 14.9108 14.9108 15.7139 15.7139 k = 0.1184-0.0806-0.0553 ( 11767 PWs) bands (ev): -77.9658 -77.9658 -48.5110 -48.5110 -44.6126 -44.6126 -44.5745 -44.5745 -40.1773 -40.1773 -20.1449 -20.1449 -19.6640 -19.6640 -19.6587 -19.6587 -19.3456 -19.3456 -19.2872 -19.2872 -19.2610 -19.2610 -4.1050 -4.1050 -4.0866 -4.0866 -3.2944 -3.2944 -3.1185 -3.1185 -3.0265 -3.0265 -2.9388 -2.9388 -1.9504 -1.9504 -1.8276 -1.8276 -1.6047 -1.6047 -0.5313 -0.5313 -0.1251 -0.1251 -0.0487 -0.0487 0.0138 0.0138 0.1082 0.1082 0.1356 0.1356 0.1775 0.1775 0.3860 0.3860 0.4094 0.4094 2.0268 2.0268 2.1307 2.1307 2.3063 2.3063 5.6754 5.6754 5.6902 5.6902 9.9700 9.9700 14.9349 14.9349 15.6412 15.6412 k = 0.1316-0.0896-0.0615 ( 11767 PWs) bands (ev): -77.9658 -77.9658 -48.5110 -48.5110 -44.6126 -44.6126 -44.5745 -44.5745 -40.1773 -40.1773 -20.1403 -20.1403 -19.6658 -19.6658 -19.6592 -19.6592 -19.3462 -19.3462 -19.2892 -19.2892 -19.2613 -19.2613 -4.1105 -4.1105 -4.0899 -4.0899 -3.2868 -3.2868 -3.1248 -3.1248 -3.0262 -3.0262 -2.9327 -2.9327 -1.9499 -1.9499 -1.8081 -1.8081 -1.5924 -1.5924 -0.5247 -0.5247 -0.1436 -0.1436 -0.0619 -0.0619 0.0029 0.0029 0.0989 0.0989 0.1364 0.1364 0.1739 0.1739 0.3868 0.3868 0.4112 0.4112 2.0328 2.0328 2.1316 2.1316 2.3096 2.3096 5.6689 5.6689 5.6870 5.6870 10.0128 10.0128 14.9610 14.9610 15.5620 15.5620 k = 0.1447-0.0986-0.0676 ( 11767 PWs) bands (ev): -77.9658 -77.9658 -48.5110 -48.5110 -44.6126 -44.6126 -44.5745 -44.5745 -40.1773 -40.1773 -20.1352 -20.1352 -19.6676 -19.6676 -19.6598 -19.6598 -19.3473 -19.3473 -19.2912 -19.2912 -19.2614 -19.2614 -4.1165 -4.1165 -4.0934 -4.0934 -3.2785 -3.2785 -3.1321 -3.1321 -3.0246 -3.0246 -2.9256 -2.9256 -1.9501 -1.9501 -1.7874 -1.7874 -1.5790 -1.5790 -0.5178 -0.5178 -0.1631 -0.1631 -0.0804 -0.0804 -0.0069 -0.0069 0.0891 0.0891 0.1401 0.1401 0.1708 0.1708 0.3871 0.3871 0.4123 0.4123 2.0387 2.0387 2.1326 2.1326 2.3133 2.3133 5.6618 5.6618 5.6837 5.6837 10.0597 10.0597 14.9883 14.9883 15.4783 15.4783 k = 0.1579-0.1075-0.0738 ( 11764 PWs) bands (ev): -77.9658 -77.9658 -48.5110 -48.5110 -44.6126 -44.6126 -44.5746 -44.5746 -40.1773 -40.1773 -20.1298 -20.1298 -19.6695 -19.6695 -19.6605 -19.6605 -19.3488 -19.3488 -19.2932 -19.2932 -19.2613 -19.2613 -4.1230 -4.1230 -4.0971 -4.0971 -3.2697 -3.2697 -3.1401 -3.1401 -3.0219 -3.0219 -2.9175 -2.9175 -1.9510 -1.9510 -1.7660 -1.7660 -1.5647 -1.5647 -0.5108 -0.5108 -0.1835 -0.1835 -0.1041 -0.1041 -0.0145 -0.0145 0.0794 0.0794 0.1449 0.1449 0.1687 0.1687 0.3868 0.3868 0.4127 0.4127 2.0442 2.0442 2.1338 2.1338 2.3175 2.3175 5.6541 5.6541 5.6802 5.6802 10.1107 10.1107 15.0154 15.0154 15.3924 15.3924 k = 0.1711-0.1165-0.0799 ( 11767 PWs) bands (ev): -77.9658 -77.9658 -48.5110 -48.5110 -44.6126 -44.6126 -44.5746 -44.5746 -40.1773 -40.1773 -20.1239 -20.1239 -19.6716 -19.6716 -19.6611 -19.6611 -19.3509 -19.3509 -19.2950 -19.2950 -19.2610 -19.2610 -4.1299 -4.1299 -4.1011 -4.1011 -3.2605 -3.2605 -3.1486 -3.1486 -3.0178 -3.0178 -2.9084 -2.9084 -1.9525 -1.9525 -1.7444 -1.7444 -1.5494 -1.5494 -0.5039 -0.5039 -0.2045 -0.2045 -0.1318 -0.1318 -0.0203 -0.0203 0.0701 0.0701 0.1491 0.1491 0.1684 0.1684 0.3861 0.3861 0.4124 0.4124 2.0492 2.0492 2.1352 2.1352 2.3221 2.3221 5.6460 5.6460 5.6765 5.6765 10.1655 10.1655 15.0390 15.0390 15.3083 15.3083 k = 0.1842-0.1254-0.0860 ( 11763 PWs) bands (ev): -77.9658 -77.9658 -48.5110 -48.5110 -44.6126 -44.6126 -44.5746 -44.5746 -40.1773 -40.1773 -20.1177 -20.1177 -19.6736 -19.6736 -19.6618 -19.6618 -19.3537 -19.3537 -19.2966 -19.2966 -19.2606 -19.2606 -4.1371 -4.1371 -4.1054 -4.1054 -3.2509 -3.2509 -3.1575 -3.1575 -3.0125 -3.0125 -2.8984 -2.8984 -1.9546 -1.9546 -1.7228 -1.7228 -1.5333 -1.5333 -0.4974 -0.4974 -0.2258 -0.2258 -0.1621 -0.1621 -0.0248 -0.0248 0.0614 0.0614 0.1510 0.1510 0.1714 0.1714 0.3849 0.3849 0.4114 0.4114 2.0535 2.0535 2.1369 2.1369 2.3272 2.3272 5.6374 5.6374 5.6728 5.6728 10.2242 10.2242 15.0476 15.0476 15.2379 15.2379 k = 0.1974-0.1344-0.0922 ( 11755 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6126 -44.6126 -44.5746 -44.5746 -40.1773 -40.1773 -20.1112 -20.1112 -19.6758 -19.6758 -19.6624 -19.6624 -19.3573 -19.3573 -19.2979 -19.2979 -19.2601 -19.2601 -4.1446 -4.1446 -4.1100 -4.1100 -3.2413 -3.2413 -3.1662 -3.1662 -3.0060 -3.0060 -2.8876 -2.8876 -1.9572 -1.9572 -1.7017 -1.7017 -1.5164 -1.5164 -0.4916 -0.4916 -0.2471 -0.2471 -0.1939 -0.1939 -0.0284 -0.0284 0.0533 0.0533 0.1506 0.1506 0.1773 0.1773 0.3831 0.3831 0.4097 0.4097 2.0567 2.0567 2.1391 2.1391 2.3326 2.3326 5.6284 5.6284 5.6690 5.6690 10.2866 10.2866 15.0151 15.0151 15.2075 15.2075 k = 0.2105-0.1434-0.0983 ( 11762 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6126 -44.6126 -44.5746 -44.5746 -40.1773 -40.1773 -20.1044 -20.1044 -19.6779 -19.6779 -19.6631 -19.6631 -19.3616 -19.3616 -19.2989 -19.2989 -19.2594 -19.2594 -4.1524 -4.1524 -4.1148 -4.1148 -3.2321 -3.2321 -3.1743 -3.1743 -2.9982 -2.9982 -2.8759 -2.8759 -1.9604 -1.9604 -1.6816 -1.6816 -1.4988 -1.4988 -0.4873 -0.4873 -0.2680 -0.2680 -0.2262 -0.2262 -0.0314 -0.0314 0.0459 0.0459 0.1492 0.1492 0.1845 0.1845 0.3807 0.3807 0.4074 0.4074 2.0588 2.0588 2.1418 2.1418 2.3385 2.3385 5.6191 5.6191 5.6651 5.6651 10.3525 10.3525 14.9397 14.9397 15.2193 15.2193 k = 0.2237-0.1523-0.1045 ( 11763 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6126 -44.6126 -44.5746 -44.5746 -40.1773 -40.1773 -20.0973 -20.0973 -19.6801 -19.6801 -19.6638 -19.6638 -19.3666 -19.3666 -19.2995 -19.2995 -19.2587 -19.2587 -4.1604 -4.1604 -4.1198 -4.1198 -3.2245 -3.2245 -3.1804 -3.1804 -2.9893 -2.9893 -2.8634 -2.8634 -1.9641 -1.9641 -1.6626 -1.6626 -1.4806 -1.4806 -0.4852 -0.4852 -0.2884 -0.2884 -0.2577 -0.2577 -0.0340 -0.0340 0.0392 0.0392 0.1475 0.1475 0.1923 0.1923 0.3778 0.3778 0.4046 0.4046 2.0597 2.0597 2.1450 2.1450 2.3447 2.3447 5.6095 5.6095 5.6613 5.6613 10.4218 10.4218 14.8460 14.8460 15.2486 15.2486 k = 0.2368-0.1613-0.1106 ( 11758 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6126 -44.6126 -44.5746 -44.5746 -40.1773 -40.1773 -20.0900 -20.0900 -19.6822 -19.6822 -19.6645 -19.6645 -19.3722 -19.3722 -19.2999 -19.2999 -19.2579 -19.2579 -4.1685 -4.1685 -4.1249 -4.1249 -3.2209 -3.2209 -3.1821 -3.1821 -2.9794 -2.9794 -2.8502 -2.8502 -1.9682 -1.9682 -1.6451 -1.6451 -1.4618 -1.4618 -0.4866 -0.4866 -0.3088 -0.3088 -0.2859 -0.2859 -0.0362 -0.0362 0.0335 0.0335 0.1459 0.1459 0.2001 0.2001 0.3742 0.3742 0.4015 0.4015 2.0593 2.0593 2.1487 2.1487 2.3513 2.3513 5.5997 5.5997 5.6575 5.6575 10.4944 10.4944 14.7451 14.7451 15.2842 15.2842 k = 0.2500-0.1703-0.1168 ( 11748 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6126 -44.6126 -44.5746 -44.5746 -40.1773 -40.1773 -20.0824 -20.0824 -19.6843 -19.6843 -19.6651 -19.6651 -19.3784 -19.3784 -19.3000 -19.3000 -19.2570 -19.2570 -4.1766 -4.1766 -4.1302 -4.1302 -3.2229 -3.2229 -3.1777 -3.1777 -2.9684 -2.9684 -2.8363 -2.8363 -1.9728 -1.9728 -1.6295 -1.6295 -1.4428 -1.4428 -0.4929 -0.4929 -0.3315 -0.3315 -0.3068 -0.3068 -0.0380 -0.0380 0.0287 0.0287 0.1444 0.1444 0.2078 0.2078 0.3699 0.3699 0.3981 0.3981 2.0579 2.0579 2.1527 2.1527 2.3581 2.3581 5.5898 5.5898 5.6537 5.6537 10.5701 10.5701 14.6405 14.6405 15.3224 15.3224 k = 0.2632-0.1792-0.1229 ( 11753 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6126 -44.6126 -44.5746 -44.5746 -40.1773 -40.1773 -20.0748 -20.0748 -19.6864 -19.6864 -19.6657 -19.6657 -19.3850 -19.3850 -19.3000 -19.3000 -19.2560 -19.2560 -4.1848 -4.1848 -4.1356 -4.1356 -3.2289 -3.2289 -3.1690 -3.1690 -2.9565 -2.9565 -2.8218 -2.8218 -1.9778 -1.9778 -1.6157 -1.6157 -1.4235 -1.4235 -0.5053 -0.5053 -0.3558 -0.3558 -0.3193 -0.3193 -0.0396 -0.0396 0.0249 0.0249 0.1431 0.1431 0.2151 0.2151 0.3648 0.3648 0.3947 0.3947 2.0555 2.0555 2.1570 2.1570 2.3650 2.3650 5.5798 5.5798 5.6500 5.6500 10.6488 10.6488 14.5337 14.5337 15.3615 15.3615 k = 0.2763-0.1882-0.1291 ( 11757 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6126 -44.6126 -44.5746 -44.5746 -40.1773 -40.1773 -20.0670 -20.0670 -19.6883 -19.6883 -19.6663 -19.6663 -19.3920 -19.3920 -19.2997 -19.2997 -19.2550 -19.2550 -4.1930 -4.1930 -4.1410 -4.1410 -3.2363 -3.2363 -3.1584 -3.1584 -2.9438 -2.9438 -2.8067 -2.8067 -1.9832 -1.9832 -1.6041 -1.6041 -1.4043 -1.4043 -0.5241 -0.5241 -0.3788 -0.3788 -0.3257 -0.3257 -0.0410 -0.0410 0.0221 0.0221 0.1420 0.1420 0.2221 0.2221 0.3590 0.3590 0.3912 0.3912 2.0523 2.0523 2.1613 2.1613 2.3721 2.3721 5.5698 5.5698 5.6464 5.6464 10.7302 10.7302 14.4254 14.4254 15.4004 15.4004 k = 0.2895-0.1971-0.1352 ( 11755 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6126 -44.6126 -44.5746 -44.5746 -40.1773 -40.1773 -20.0592 -20.0592 -19.6903 -19.6903 -19.6669 -19.6669 -19.3994 -19.3994 -19.2994 -19.2994 -19.2540 -19.2540 -4.2010 -4.2010 -4.1464 -4.1464 -3.2443 -3.2443 -3.1468 -3.1468 -2.9304 -2.9304 -2.7913 -2.7913 -1.9889 -1.9889 -1.5946 -1.5946 -1.3853 -1.3853 -0.5483 -0.5483 -0.3993 -0.3993 -0.3276 -0.3276 -0.0420 -0.0420 0.0203 0.0203 0.1411 0.1411 0.2285 0.2285 0.3526 0.3526 0.3879 0.3879 2.0485 2.0485 2.1656 2.1656 2.3793 2.3793 5.5599 5.5599 5.6430 5.6430 10.8143 10.8143 14.3160 14.3160 15.4382 15.4382 k = 0.3026-0.2061-0.1414 ( 11757 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6126 -44.6126 -44.5746 -44.5746 -40.1773 -40.1773 -20.0513 -20.0513 -19.6921 -19.6921 -19.6674 -19.6674 -19.4069 -19.4069 -19.2991 -19.2991 -19.2530 -19.2530 -4.2089 -4.2089 -4.1517 -4.1517 -3.2523 -3.2523 -3.1348 -3.1348 -2.9165 -2.9165 -2.7755 -2.7755 -1.9949 -1.9949 -1.5872 -1.5872 -1.3668 -1.3668 -0.5764 -0.5764 -0.4175 -0.4175 -0.3264 -0.3264 -0.0428 -0.0428 0.0196 0.0196 0.1404 0.1404 0.2343 0.2343 0.3455 0.3455 0.3847 0.3847 2.0441 2.0441 2.1699 2.1699 2.3864 2.3864 5.5501 5.5501 5.6397 5.6397 10.9009 10.9009 14.2057 14.2057 15.4738 15.4738 k = 0.3158-0.2151-0.1475 ( 11759 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6126 -44.6126 -44.5746 -44.5746 -40.1773 -40.1773 -20.0435 -20.0435 -19.6938 -19.6938 -19.6678 -19.6678 -19.4146 -19.4146 -19.2987 -19.2987 -19.2519 -19.2519 -4.2165 -4.2165 -4.1569 -4.1569 -3.2600 -3.2600 -3.1227 -3.1227 -2.9021 -2.9021 -2.7594 -2.7594 -2.0011 -2.0011 -1.5819 -1.5819 -1.3490 -1.3490 -0.6067 -0.6067 -0.4334 -0.4334 -0.3231 -0.3231 -0.0433 -0.0433 0.0200 0.0200 0.1400 0.1400 0.2394 0.2394 0.3380 0.3380 0.3817 0.3817 2.0393 2.0393 2.1739 2.1739 2.3935 2.3935 5.5405 5.5405 5.6366 5.6366 10.9898 10.9898 14.0949 14.0949 15.5062 15.5062 k = 0.3289-0.2240-0.1536 ( 11744 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6126 -44.6126 -44.5746 -44.5746 -40.1773 -40.1773 -20.0358 -20.0358 -19.6954 -19.6954 -19.6682 -19.6682 -19.4223 -19.4223 -19.2983 -19.2983 -19.2509 -19.2509 -4.2239 -4.2239 -4.1620 -4.1620 -3.2675 -3.2675 -3.1107 -3.1107 -2.8876 -2.8876 -2.7433 -2.7433 -2.0075 -2.0075 -1.5785 -1.5785 -1.3321 -1.3321 -0.6379 -0.6379 -0.4472 -0.4472 -0.3186 -0.3186 -0.0435 -0.0435 0.0214 0.0214 0.1398 0.1398 0.2435 0.2435 0.3301 0.3301 0.3788 0.3788 2.0343 2.0343 2.1777 2.1777 2.4004 2.4004 5.5312 5.5312 5.6337 5.6337 11.0807 11.0807 13.9837 13.9837 15.5343 15.5343 k = 0.3421-0.2330-0.1598 ( 11731 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6126 -44.6126 -44.5746 -44.5746 -40.1773 -40.1773 -20.0283 -20.0283 -19.6969 -19.6969 -19.6686 -19.6686 -19.4300 -19.4300 -19.2979 -19.2979 -19.2498 -19.2498 -4.2310 -4.2310 -4.1669 -4.1669 -3.2745 -3.2745 -3.0988 -3.0988 -2.8730 -2.8730 -2.7272 -2.7272 -2.0140 -2.0140 -1.5770 -1.5770 -1.3163 -1.3163 -0.6692 -0.6692 -0.4591 -0.4591 -0.3134 -0.3134 -0.0435 -0.0435 0.0237 0.0237 0.1398 0.1398 0.2467 0.2467 0.3222 0.3222 0.3763 0.3763 2.0291 2.0291 2.1812 2.1812 2.4071 2.4071 5.5223 5.5223 5.6309 5.6309 11.1736 11.1736 13.8722 13.8722 15.5573 15.5573 k = 0.3553-0.2419-0.1659 ( 11728 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6126 -44.6126 -44.5746 -44.5746 -40.1772 -40.1772 -20.0210 -20.0210 -19.6983 -19.6983 -19.6688 -19.6688 -19.4376 -19.4376 -19.2975 -19.2975 -19.2488 -19.2488 -4.2377 -4.2377 -4.1715 -4.1715 -3.2811 -3.2811 -3.0873 -3.0873 -2.8584 -2.8584 -2.7113 -2.7113 -2.0206 -2.0206 -1.5771 -1.5771 -1.3018 -1.3018 -0.6998 -0.6998 -0.4692 -0.4692 -0.3079 -0.3079 -0.0433 -0.0433 0.0270 0.0270 0.1400 0.1400 0.2487 0.2487 0.3145 0.3145 0.3739 0.3739 2.0239 2.0239 2.1845 2.1845 2.4135 2.4135 5.5137 5.5137 5.6284 5.6284 11.2682 11.2682 13.7608 13.7608 15.5745 15.5745 k = 0.3684-0.2509-0.1721 ( 11733 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6126 -44.6126 -44.5746 -44.5746 -40.1772 -40.1772 -20.0141 -20.0141 -19.6995 -19.6995 -19.6691 -19.6691 -19.4449 -19.4449 -19.2971 -19.2971 -19.2478 -19.2478 -4.2441 -4.2441 -4.1758 -4.1758 -3.2872 -3.2872 -3.0762 -3.0762 -2.8442 -2.8442 -2.6957 -2.6957 -2.0271 -2.0271 -1.5786 -1.5786 -1.2885 -1.2885 -0.7292 -0.7292 -0.4776 -0.4776 -0.3024 -0.3024 -0.0429 -0.0429 0.0311 0.0311 0.1403 0.1403 0.2493 0.2493 0.3071 0.3071 0.3719 0.3719 2.0188 2.0188 2.1874 2.1874 2.4195 2.4195 5.5057 5.5057 5.6261 5.6261 11.3642 11.3642 13.6496 13.6496 15.5862 15.5862 k = 0.3816-0.2599-0.1782 ( 11737 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6126 -44.6126 -44.5746 -44.5746 -40.1772 -40.1772 -20.0075 -20.0075 -19.7005 -19.7005 -19.6692 -19.6692 -19.4520 -19.4520 -19.2967 -19.2967 -19.2469 -19.2469 -4.2499 -4.2499 -4.1799 -4.1799 -3.2928 -3.2928 -3.0657 -3.0657 -2.8306 -2.8306 -2.6807 -2.6807 -2.0334 -2.0334 -1.5812 -1.5812 -1.2766 -1.2766 -0.7569 -0.7569 -0.4844 -0.4844 -0.2972 -0.2972 -0.0425 -0.0425 0.0360 0.0360 0.1408 0.1408 0.2484 0.2484 0.3006 0.3006 0.3702 0.3702 2.0139 2.0139 2.1901 2.1901 2.4251 2.4251 5.4983 5.4983 5.6240 5.6240 11.4613 11.4613 13.5388 13.5388 15.5931 15.5931 k = 0.3947-0.2688-0.1844 ( 11736 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6126 -44.6126 -44.5746 -44.5746 -40.1772 -40.1772 -20.0013 -20.0013 -19.7015 -19.7015 -19.6693 -19.6693 -19.4587 -19.4587 -19.2964 -19.2964 -19.2461 -19.2461 -4.2553 -4.2553 -4.1835 -4.1835 -3.2979 -3.2979 -3.0560 -3.0560 -2.8176 -2.8176 -2.6665 -2.6665 -2.0396 -2.0396 -1.5847 -1.5847 -1.2661 -1.2661 -0.7827 -0.7827 -0.4897 -0.4897 -0.2922 -0.2922 -0.0419 -0.0419 0.0414 0.0414 0.1414 0.1414 0.2458 0.2458 0.2951 0.2951 0.3688 0.3688 2.0092 2.0092 2.1924 2.1924 2.4303 2.4303 5.4914 5.4914 5.6221 5.6221 11.5592 11.5592 13.4289 13.4289 15.5962 15.5962 k = 0.4079-0.2778-0.1905 ( 11734 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6126 -44.6126 -44.5746 -44.5746 -40.1772 -40.1772 -19.9957 -19.9957 -19.7023 -19.7023 -19.6693 -19.6693 -19.4650 -19.4650 -19.2961 -19.2961 -19.2453 -19.2453 -4.2601 -4.2601 -4.1869 -4.1869 -3.3023 -3.3023 -3.0470 -3.0470 -2.8055 -2.8055 -2.6532 -2.6532 -2.0454 -2.0454 -1.5888 -1.5888 -1.2570 -1.2570 -0.8061 -0.8061 -0.4938 -0.4938 -0.2876 -0.2876 -0.0414 -0.0414 0.0472 0.0472 0.1421 0.1421 0.2418 0.2418 0.2907 0.2907 0.3676 0.3676 2.0049 2.0049 2.1945 2.1945 2.4349 2.4349 5.4852 5.4852 5.6204 5.6204 11.6574 11.6574 13.3201 13.3201 15.5968 15.5968 k = 0.4211-0.2867-0.1967 ( 11733 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6126 -44.6126 -44.5747 -44.5747 -40.1772 -40.1772 -19.9906 -19.9906 -19.7030 -19.7030 -19.6693 -19.6693 -19.4706 -19.4706 -19.2959 -19.2959 -19.2446 -19.2446 -4.2643 -4.2643 -4.1898 -4.1898 -3.3063 -3.3063 -3.0390 -3.0390 -2.7945 -2.7945 -2.6411 -2.6411 -2.0507 -2.0507 -1.5932 -1.5932 -1.2493 -1.2493 -0.8270 -0.8270 -0.4969 -0.4969 -0.2835 -0.2835 -0.0408 -0.0408 0.0532 0.0532 0.1429 0.1429 0.2367 0.2367 0.2873 0.2873 0.3668 0.3668 2.0009 2.0009 2.1962 2.1962 2.4391 2.4391 5.4798 5.4798 5.6190 5.6190 11.7553 11.7553 13.2132 13.2132 15.5957 15.5957 k = 0.4342-0.2957-0.2028 ( 11741 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6126 -44.6126 -44.5747 -44.5747 -40.1772 -40.1772 -19.9862 -19.9862 -19.7035 -19.7035 -19.6692 -19.6692 -19.4756 -19.4756 -19.2957 -19.2957 -19.2440 -19.2440 -4.2680 -4.2680 -4.1923 -4.1923 -3.3096 -3.3096 -3.0320 -3.0320 -2.7848 -2.7848 -2.6303 -2.6303 -2.0555 -2.0555 -1.5975 -1.5975 -1.2429 -1.2429 -0.8451 -0.8451 -0.4990 -0.4990 -0.2800 -0.2800 -0.0403 -0.0403 0.0591 0.0591 0.1437 0.1437 0.2309 0.2309 0.2847 0.2847 0.3661 0.3661 1.9975 1.9975 2.1977 2.1977 2.4426 2.4426 5.4751 5.4751 5.6177 5.6177 11.8517 11.8517 13.1092 13.1092 15.5938 15.5938 k = 0.4474-0.3047-0.2090 ( 11736 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6126 -44.6126 -44.5747 -44.5747 -40.1772 -40.1772 -19.9825 -19.9825 -19.7039 -19.7039 -19.6692 -19.6692 -19.4798 -19.4798 -19.2955 -19.2955 -19.2436 -19.2436 -4.2710 -4.2710 -4.1944 -4.1944 -3.3123 -3.3123 -3.0261 -3.0261 -2.7766 -2.7766 -2.6212 -2.6212 -2.0596 -2.0596 -1.6015 -1.6015 -1.2378 -1.2378 -0.8601 -0.8601 -0.5005 -0.5005 -0.2770 -0.2770 -0.0398 -0.0398 0.0647 0.0647 0.1445 0.1445 0.2252 0.2252 0.2828 0.2828 0.3657 0.3657 1.9946 1.9946 2.1989 2.1989 2.4456 2.4456 5.4712 5.4712 5.6167 5.6167 11.9451 11.9451 13.0096 13.0096 15.5915 15.5915 k = 0.4605-0.3136-0.2151 ( 11734 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6126 -44.6126 -44.5747 -44.5747 -40.1772 -40.1772 -19.9796 -19.9796 -19.7043 -19.7043 -19.6691 -19.6691 -19.4832 -19.4832 -19.2954 -19.2954 -19.2432 -19.2432 -4.2734 -4.2734 -4.1960 -4.1960 -3.3144 -3.3144 -3.0215 -3.0215 -2.7701 -2.7701 -2.6139 -2.6139 -2.0629 -2.0629 -1.6049 -1.6049 -1.2339 -1.2339 -0.8720 -0.8720 -0.5015 -0.5015 -0.2747 -0.2747 -0.0394 -0.0394 0.0696 0.0696 0.1452 0.1452 0.2199 0.2199 0.2813 0.2813 0.3654 0.3654 1.9923 1.9923 2.1998 2.1998 2.4479 2.4479 5.4681 5.4681 5.6160 5.6160 12.0326 12.0326 12.9174 12.9174 15.5894 15.5894 k = 0.4737-0.3226-0.2213 ( 11739 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6126 -44.6126 -44.5747 -44.5747 -40.1772 -40.1772 -19.9775 -19.9775 -19.7045 -19.7045 -19.6690 -19.6690 -19.4857 -19.4857 -19.2953 -19.2953 -19.2429 -19.2429 -4.2751 -4.2751 -4.1971 -4.1971 -3.3160 -3.3160 -3.0181 -3.0181 -2.7653 -2.7653 -2.6086 -2.6086 -2.0654 -2.0654 -1.6075 -1.6075 -1.2312 -1.2312 -0.8806 -0.8806 -0.5020 -0.5020 -0.2730 -0.2730 -0.0391 -0.0391 0.0734 0.0734 0.1457 0.1457 0.2157 0.2157 0.2803 0.2803 0.3652 0.3652 1.9906 1.9906 2.2004 2.2004 2.4495 2.4495 5.4659 5.4659 5.6154 5.6154 12.1086 12.1086 12.8380 12.8380 15.5877 15.5877 k = 0.4868-0.3315-0.2274 ( 11740 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6126 -44.6126 -44.5747 -44.5747 -40.1772 -40.1772 -19.9762 -19.9762 -19.7046 -19.7046 -19.6690 -19.6690 -19.4872 -19.4872 -19.2952 -19.2952 -19.2427 -19.2427 -4.2761 -4.2761 -4.1979 -4.1979 -3.3169 -3.3169 -3.0161 -3.0161 -2.7624 -2.7624 -2.6053 -2.6053 -2.0668 -2.0668 -1.6091 -1.6091 -1.2295 -1.2295 -0.8858 -0.8858 -0.5023 -0.5023 -0.2720 -0.2720 -0.0389 -0.0389 0.0758 0.0758 0.1461 0.1461 0.2130 0.2130 0.2797 0.2797 0.3651 0.3651 1.9896 1.9896 2.2008 2.2008 2.4505 2.4505 5.4646 5.4646 5.6151 5.6151 12.1637 12.1637 12.7809 12.7809 15.5867 15.5867 k = 0.5000-0.3405-0.2335 ( 11734 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6126 -44.6126 -44.5747 -44.5747 -40.1772 -40.1772 -19.9758 -19.9758 -19.7047 -19.7047 -19.6690 -19.6690 -19.4877 -19.4877 -19.2952 -19.2952 -19.2426 -19.2426 -4.2765 -4.2765 -4.1981 -4.1981 -3.3172 -3.3172 -3.0154 -3.0154 -2.7614 -2.7614 -2.6042 -2.6042 -2.0674 -2.0674 -1.6097 -1.6097 -1.2290 -1.2290 -0.8875 -0.8875 -0.5024 -0.5024 -0.2716 -0.2716 -0.0389 -0.0389 0.0767 0.0767 0.1463 0.1463 0.2121 0.2121 0.2795 0.2795 0.3651 0.3651 1.9892 1.9892 2.2009 2.2009 2.4509 2.4509 5.4641 5.4641 5.6150 5.6150 12.1845 12.1845 12.7595 12.7595 15.5863 15.5863 k = 0.5000-0.3405-0.2335 ( 11734 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6126 -44.6126 -44.5747 -44.5747 -40.1772 -40.1772 -19.9758 -19.9758 -19.7047 -19.7047 -19.6690 -19.6690 -19.4877 -19.4877 -19.2952 -19.2952 -19.2426 -19.2426 -4.2765 -4.2765 -4.1981 -4.1981 -3.3172 -3.3172 -3.0154 -3.0154 -2.7614 -2.7614 -2.6042 -2.6042 -2.0674 -2.0674 -1.6097 -1.6097 -1.2290 -1.2290 -0.8875 -0.8875 -0.5024 -0.5024 -0.2716 -0.2716 -0.0389 -0.0389 0.0767 0.0767 0.1463 0.1463 0.2121 0.2121 0.2795 0.2795 0.3651 0.3651 1.9892 1.9892 2.2009 2.2009 2.4509 2.4509 5.4641 5.4641 5.6150 5.6150 12.1845 12.1845 12.7595 12.7595 15.5863 15.5863 k = 0.5000-0.3310-0.2474 ( 11734 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6126 -44.6126 -44.5747 -44.5747 -40.1772 -40.1772 -19.9756 -19.9756 -19.7047 -19.7047 -19.6690 -19.6690 -19.4875 -19.4875 -19.2953 -19.2953 -19.2428 -19.2428 -4.2766 -4.2766 -4.1981 -4.1981 -3.3164 -3.3164 -3.0153 -3.0153 -2.7618 -2.7618 -2.6049 -2.6049 -2.0660 -2.0660 -1.6095 -1.6095 -1.2293 -1.2293 -0.8869 -0.8869 -0.5030 -0.5030 -0.2715 -0.2715 -0.0399 -0.0399 0.0764 0.0764 0.1436 0.1436 0.2131 0.2131 0.2803 0.2803 0.3652 0.3652 1.9900 1.9900 2.2010 2.2010 2.4508 2.4508 5.4643 5.4643 5.6150 5.6150 12.1859 12.1859 12.7605 12.7605 15.5825 15.5825 k = 0.5000-0.3215-0.2612 ( 11736 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6126 -44.6126 -44.5747 -44.5747 -40.1772 -40.1772 -19.9751 -19.9751 -19.7048 -19.7048 -19.6693 -19.6693 -19.4869 -19.4869 -19.2957 -19.2957 -19.2433 -19.2433 -4.2771 -4.2771 -4.1982 -4.1982 -3.3141 -3.3141 -3.0150 -3.0150 -2.7630 -2.7630 -2.6068 -2.6068 -2.0620 -2.0620 -1.6089 -1.6089 -1.2302 -1.2302 -0.8850 -0.8850 -0.5047 -0.5047 -0.2711 -0.2711 -0.0430 -0.0430 0.0757 0.0757 0.1360 0.1360 0.2157 0.2157 0.2828 0.2828 0.3655 0.3655 1.9922 1.9922 2.2014 2.2014 2.4504 2.4504 5.4646 5.4646 5.6150 5.6150 12.1901 12.1901 12.7637 12.7637 15.5713 15.5713 k = 0.5000-0.3120-0.2750 ( 11738 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6126 -44.6126 -44.5747 -44.5747 -40.1772 -40.1772 -19.9742 -19.9742 -19.7051 -19.7051 -19.6697 -19.6697 -19.4858 -19.4858 -19.2963 -19.2963 -19.2441 -19.2441 -4.2779 -4.2779 -4.1982 -4.1982 -3.3101 -3.3101 -3.0145 -3.0145 -2.7649 -2.7649 -2.6101 -2.6101 -2.0554 -2.0554 -1.6080 -1.6080 -1.2317 -1.2317 -0.8819 -0.8819 -0.5074 -0.5074 -0.2705 -0.2705 -0.0483 -0.0483 0.0745 0.0745 0.1248 0.1248 0.2193 0.2193 0.2864 0.2864 0.3659 0.3659 1.9958 1.9958 2.2020 2.2020 2.4499 2.4499 5.4652 5.4652 5.6150 5.6150 12.1973 12.1973 12.7690 12.7690 15.5527 15.5527 k = 0.5000-0.3026-0.2889 ( 11752 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6126 -44.6126 -44.5747 -44.5747 -40.1772 -40.1772 -19.9731 -19.9731 -19.7054 -19.7054 -19.6702 -19.6702 -19.4843 -19.4843 -19.2971 -19.2971 -19.2453 -19.2453 -4.2790 -4.2790 -4.1983 -4.1983 -3.3047 -3.3047 -3.0139 -3.0139 -2.7676 -2.7676 -2.6144 -2.6144 -2.0464 -2.0464 -1.6068 -1.6068 -1.2337 -1.2337 -0.8777 -0.8777 -0.5111 -0.5111 -0.2697 -0.2697 -0.0557 -0.0557 0.0726 0.0726 0.1111 0.1111 0.2235 0.2235 0.2909 0.2909 0.3663 0.3663 2.0008 2.0008 2.2028 2.2028 2.4492 2.4492 5.4660 5.4660 5.6151 5.6151 12.2072 12.2072 12.7764 12.7764 15.5270 15.5270 k = 0.5000-0.2931-0.3027 ( 11744 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6126 -44.6126 -44.5747 -44.5747 -40.1772 -40.1772 -19.9715 -19.9715 -19.7058 -19.7058 -19.6708 -19.6708 -19.4824 -19.4824 -19.2982 -19.2982 -19.2467 -19.2467 -4.2804 -4.2804 -4.1984 -4.1984 -3.2977 -3.2977 -3.0132 -3.0132 -2.7708 -2.7708 -2.6198 -2.6198 -2.0351 -2.0351 -1.6053 -1.6053 -1.2364 -1.2364 -0.8725 -0.8725 -0.5157 -0.5157 -0.2687 -0.2687 -0.0654 -0.0654 0.0696 0.0696 0.0963 0.0963 0.2280 0.2280 0.2958 0.2958 0.3668 0.3668 2.0071 2.0071 2.2038 2.2038 2.4483 2.4483 5.4670 5.4670 5.6151 5.6151 12.2201 12.2201 12.7859 12.7859 15.4946 15.4946 k = 0.5000-0.2836-0.3165 ( 11754 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6126 -44.6126 -44.5747 -44.5747 -40.1772 -40.1772 -19.9697 -19.9697 -19.7064 -19.7064 -19.6714 -19.6714 -19.4801 -19.4801 -19.2996 -19.2996 -19.2484 -19.2484 -4.2821 -4.2821 -4.1984 -4.1984 -3.2892 -3.2892 -3.0124 -3.0124 -2.7747 -2.7747 -2.6260 -2.6260 -2.0216 -2.0216 -1.6035 -1.6035 -1.2396 -1.2396 -0.8664 -0.8664 -0.5209 -0.5209 -0.2676 -0.2676 -0.0773 -0.0773 0.0636 0.0636 0.0828 0.0828 0.2329 0.2329 0.3009 0.3009 0.3672 0.3672 2.0144 2.0144 2.2050 2.2050 2.4473 2.4473 5.4681 5.4681 5.6151 5.6151 12.2357 12.2357 12.7975 12.7975 15.4560 15.4560 k = 0.5000-0.2741-0.3304 ( 11750 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6126 -44.6126 -44.5747 -44.5747 -40.1772 -40.1772 -19.9676 -19.9676 -19.7071 -19.7071 -19.6721 -19.6721 -19.4775 -19.4775 -19.3012 -19.3012 -19.2504 -19.2504 -4.2842 -4.2842 -4.1984 -4.1984 -3.2793 -3.2793 -3.0115 -3.0115 -2.7790 -2.7790 -2.6328 -2.6328 -2.0063 -2.0063 -1.6015 -1.6015 -1.2435 -1.2435 -0.8596 -0.8596 -0.5266 -0.5266 -0.2665 -0.2665 -0.0915 -0.0915 0.0515 0.0515 0.0742 0.0742 0.2379 0.2379 0.3059 0.3059 0.3675 0.3675 2.0228 2.0228 2.2063 2.2063 2.4461 2.4461 5.4695 5.4695 5.6151 5.6151 12.2543 12.2543 12.8112 12.8112 15.4115 15.4115 k = 0.5000-0.2646-0.3442 ( 11758 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6126 -44.6126 -44.5747 -44.5747 -40.1772 -40.1772 -19.9652 -19.9652 -19.7080 -19.7080 -19.6727 -19.6727 -19.4746 -19.4746 -19.3031 -19.3031 -19.2525 -19.2525 -4.2867 -4.2867 -4.1983 -4.1983 -3.2680 -3.2680 -3.0107 -3.0107 -2.7836 -2.7836 -2.6402 -2.6402 -1.9892 -1.9892 -1.5993 -1.5993 -1.2478 -1.2478 -0.8522 -0.8522 -0.5326 -0.5326 -0.2654 -0.2654 -0.1079 -0.1079 0.0353 0.0353 0.0693 0.0693 0.2430 0.2430 0.3110 0.3110 0.3675 0.3675 2.0319 2.0319 2.2078 2.2078 2.4450 2.4450 5.4710 5.4710 5.6151 5.6151 12.2757 12.2757 12.8269 12.8269 15.3618 15.3618 k = 0.5000-0.2551-0.3580 ( 11750 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6126 -44.6126 -44.5747 -44.5747 -40.1772 -40.1772 -19.9626 -19.9626 -19.7091 -19.7091 -19.6732 -19.6732 -19.4715 -19.4715 -19.3054 -19.3054 -19.2549 -19.2549 -4.2894 -4.2894 -4.1981 -4.1981 -3.2554 -3.2554 -3.0100 -3.0100 -2.7885 -2.7885 -2.6478 -2.6478 -1.9706 -1.9706 -1.5971 -1.5971 -1.2527 -1.2527 -0.8445 -0.8445 -0.5386 -0.5386 -0.2648 -0.2648 -0.1261 -0.1261 0.0177 0.0177 0.0653 0.0653 0.2482 0.2482 0.3159 0.3159 0.3673 0.3673 2.0417 2.0417 2.2095 2.2095 2.4438 2.4438 5.4726 5.4726 5.6151 5.6151 12.2999 12.2999 12.8447 12.8447 15.3071 15.3071 k = 0.5000-0.2456-0.3718 ( 11738 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6126 -44.6126 -44.5747 -44.5747 -40.1772 -40.1772 -19.9597 -19.9597 -19.7103 -19.7103 -19.6736 -19.6736 -19.4681 -19.4681 -19.3079 -19.3079 -19.2574 -19.2574 -4.2925 -4.2925 -4.1978 -4.1978 -3.2417 -3.2417 -3.0093 -3.0093 -2.7935 -2.7935 -2.6556 -2.6556 -1.9507 -1.9507 -1.5948 -1.5948 -1.2582 -1.2582 -0.8367 -0.8367 -0.5444 -0.5444 -0.2649 -0.2649 -0.1456 -0.1456 0.0001 0.0001 0.0613 0.0613 0.2534 0.2534 0.3207 0.3207 0.3668 0.3668 2.0520 2.0520 2.2112 2.2112 2.4426 2.4426 5.4744 5.4744 5.6150 5.6150 12.3270 12.3270 12.8644 12.8644 15.2480 15.2480 k = 0.5000-0.2362-0.3857 ( 11746 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6126 -44.6126 -44.5747 -44.5747 -40.1772 -40.1772 -19.9567 -19.9567 -19.7116 -19.7116 -19.6739 -19.6739 -19.4644 -19.4644 -19.3107 -19.3107 -19.2600 -19.2600 -4.2958 -4.2958 -4.1973 -4.1973 -3.2268 -3.2268 -3.0089 -3.0089 -2.7984 -2.7984 -2.6634 -2.6634 -1.9297 -1.9297 -1.5926 -1.5926 -1.2641 -1.2641 -0.8292 -0.8292 -0.5496 -0.5496 -0.2666 -0.2666 -0.1653 -0.1653 -0.0175 -0.0175 0.0571 0.0571 0.2584 0.2584 0.3253 0.3253 0.3660 0.3660 2.0625 2.0625 2.2131 2.2131 2.4416 2.4416 5.4762 5.4762 5.6148 5.6148 12.3570 12.3570 12.8861 12.8861 15.1845 15.1845 k = 0.5000-0.2267-0.3995 ( 11756 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6126 -44.6126 -44.5747 -44.5747 -40.1772 -40.1772 -19.9534 -19.9534 -19.7131 -19.7131 -19.6740 -19.6740 -19.4606 -19.4606 -19.3138 -19.3138 -19.2627 -19.2627 -4.2994 -4.2994 -4.1968 -4.1968 -3.2110 -3.2110 -3.0088 -3.0088 -2.8031 -2.8031 -2.6709 -2.6709 -1.9078 -1.9078 -1.5906 -1.5906 -1.2706 -1.2706 -0.8222 -0.8222 -0.5542 -0.5542 -0.2710 -0.2710 -0.1836 -0.1836 -0.0347 -0.0347 0.0526 0.0526 0.2633 0.2633 0.3297 0.3297 0.3650 0.3650 2.0732 2.0732 2.2151 2.2151 2.4407 2.4407 5.4781 5.4781 5.6146 5.6146 12.3898 12.3898 12.9097 12.9097 15.1168 15.1168 k = 0.5000-0.2172-0.4133 ( 11756 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6126 -44.6126 -44.5747 -44.5747 -40.1772 -40.1772 -19.9501 -19.9501 -19.7147 -19.7147 -19.6739 -19.6739 -19.4567 -19.4567 -19.3172 -19.3172 -19.2655 -19.2655 -4.3032 -4.3032 -4.1962 -4.1962 -3.1944 -3.1944 -3.0089 -3.0089 -2.8075 -2.8075 -2.6781 -2.6781 -1.8851 -1.8851 -1.5887 -1.5887 -1.2775 -1.2775 -0.8159 -0.8159 -0.5578 -0.5578 -0.2800 -0.2800 -0.1981 -0.1981 -0.0515 -0.0515 0.0476 0.0476 0.2679 0.2679 0.3338 0.3338 0.3638 0.3638 2.0838 2.0838 2.2171 2.2171 2.4401 2.4401 5.4800 5.4800 5.6143 5.6143 12.4254 12.4254 12.9352 12.9352 15.0451 15.0451 k = 0.5000-0.2077-0.4272 ( 11758 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6126 -44.6126 -44.5747 -44.5747 -40.1772 -40.1772 -19.9466 -19.9466 -19.7165 -19.7165 -19.6737 -19.6737 -19.4527 -19.4527 -19.3209 -19.3209 -19.2683 -19.2683 -4.3071 -4.3071 -4.1955 -4.1955 -3.1774 -3.1774 -3.0093 -3.0093 -2.8114 -2.8114 -2.6847 -2.6847 -1.8620 -1.8620 -1.5871 -1.5871 -1.2848 -1.2848 -0.8108 -0.8108 -0.5604 -0.5604 -0.2944 -0.2944 -0.2076 -0.2076 -0.0680 -0.0680 0.0423 0.0423 0.2723 0.2723 0.3373 0.3373 0.3627 0.3627 2.0941 2.0941 2.2193 2.2193 2.4397 2.4397 5.4820 5.4820 5.6140 5.6140 12.4639 12.4639 12.9625 12.9625 14.9695 14.9695 k = 0.5000-0.1982-0.4410 ( 11754 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6126 -44.6126 -44.5747 -44.5747 -40.1772 -40.1772 -19.9430 -19.9430 -19.7183 -19.7183 -19.6732 -19.6732 -19.4485 -19.4485 -19.3248 -19.3248 -19.2711 -19.2711 -4.3110 -4.3110 -4.1948 -4.1948 -3.1602 -3.1602 -3.0100 -3.0100 -2.8147 -2.8147 -2.6907 -2.6907 -1.8384 -1.8384 -1.5859 -1.5859 -1.2924 -1.2924 -0.8068 -0.8068 -0.5621 -0.5621 -0.3131 -0.3131 -0.2126 -0.2126 -0.0842 -0.0842 0.0364 0.0364 0.2764 0.2764 0.3399 0.3399 0.3620 0.3620 2.1040 2.1040 2.2215 2.2215 2.4396 2.4396 5.4839 5.4839 5.6135 5.6135 12.5052 12.5052 12.9914 12.9914 14.8904 14.8904 k = 0.5000-0.1887-0.4548 ( 11752 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6126 -44.6126 -44.5747 -44.5747 -40.1772 -40.1772 -19.9395 -19.9395 -19.7201 -19.7201 -19.6726 -19.6726 -19.4444 -19.4444 -19.3289 -19.3289 -19.2740 -19.2740 -4.3150 -4.3150 -4.1940 -4.1940 -3.1431 -3.1431 -3.0110 -3.0110 -2.8172 -2.8172 -2.6958 -2.6958 -1.8147 -1.8147 -1.5850 -1.5850 -1.3005 -1.3005 -0.8041 -0.8041 -0.5631 -0.5631 -0.3336 -0.3336 -0.2148 -0.2148 -0.0998 -0.0998 0.0300 0.0300 0.2802 0.2802 0.3411 0.3411 0.3621 0.3621 2.1134 2.1134 2.2239 2.2239 2.4399 2.4399 5.4857 5.4857 5.6129 5.6129 12.5494 12.5494 13.0221 13.0221 14.8081 14.8081 k = 0.5000-0.1792-0.4687 ( 11748 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6126 -44.6126 -44.5747 -44.5747 -40.1772 -40.1772 -19.9359 -19.9359 -19.7219 -19.7219 -19.6719 -19.6719 -19.4402 -19.4402 -19.3331 -19.3331 -19.2769 -19.2769 -4.3190 -4.3190 -4.1932 -4.1932 -3.1266 -3.1266 -3.0120 -3.0120 -2.8187 -2.8187 -2.7001 -2.7001 -1.7911 -1.7911 -1.5846 -1.5846 -1.3088 -1.3088 -0.8025 -0.8025 -0.5642 -0.5642 -0.3537 -0.3537 -0.2157 -0.2157 -0.1149 -0.1149 0.0232 0.0232 0.2837 0.2837 0.3408 0.3408 0.3633 0.3633 2.1220 2.1220 2.2265 2.2265 2.4407 2.4407 5.4875 5.4875 5.6122 5.6122 12.5963 12.5963 13.0542 13.0542 14.7232 14.7232 k = 0.5000-0.1698-0.4825 ( 11742 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6126 -44.6126 -44.5747 -44.5747 -40.1772 -40.1772 -19.9324 -19.9324 -19.7237 -19.7237 -19.6710 -19.6710 -19.4361 -19.4361 -19.3373 -19.3373 -19.2797 -19.2797 -4.3229 -4.3229 -4.1924 -4.1924 -3.1114 -3.1114 -3.0129 -3.0129 -2.8190 -2.8190 -2.7034 -2.7034 -1.7677 -1.7677 -1.5847 -1.5847 -1.3174 -1.3174 -0.8020 -0.8020 -0.5662 -0.5662 -0.3716 -0.3716 -0.2162 -0.2162 -0.1291 -0.1291 0.0157 0.0157 0.2869 0.2869 0.3393 0.3393 0.3652 0.3652 2.1298 2.1298 2.2292 2.2292 2.4419 2.4419 5.4893 5.4893 5.6114 5.6114 12.6460 12.6460 13.0877 13.0877 14.6360 14.6360 k = 0.5000-0.1603-0.4963 ( 11730 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6126 -44.6126 -44.5747 -44.5747 -40.1772 -40.1772 -19.9290 -19.9290 -19.7254 -19.7254 -19.6700 -19.6700 -19.4321 -19.4321 -19.3416 -19.3416 -19.2826 -19.2826 -4.3267 -4.3267 -4.1917 -4.1917 -3.0979 -3.0979 -3.0135 -3.0135 -2.8178 -2.8178 -2.7056 -2.7056 -1.7448 -1.7448 -1.5851 -1.5851 -1.3262 -1.3262 -0.8022 -0.8022 -0.5704 -0.5704 -0.3856 -0.3856 -0.2171 -0.2171 -0.1422 -0.1422 0.0077 0.0077 0.2897 0.2897 0.3369 0.3369 0.3674 0.3674 2.1367 2.1367 2.2321 2.2321 2.4435 2.4435 5.4908 5.4908 5.6105 5.6105 12.6984 12.6984 13.1224 13.1224 14.5470 14.5470 k = 0.5000-0.1508-0.5101 ( 11742 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5747 -44.5747 -40.1772 -40.1772 -19.9257 -19.9257 -19.7271 -19.7271 -19.6689 -19.6689 -19.4282 -19.4282 -19.3457 -19.3457 -19.2855 -19.2855 -4.3303 -4.3303 -4.1910 -4.1910 -3.0869 -3.0869 -3.0135 -3.0135 -2.8149 -2.8149 -2.7068 -2.7068 -1.7228 -1.7228 -1.5858 -1.5858 -1.3351 -1.3351 -0.8027 -0.8027 -0.5777 -0.5777 -0.3946 -0.3946 -0.2192 -0.2192 -0.1537 -0.1537 -0.0010 -0.0010 0.2922 0.2922 0.3343 0.3343 0.3695 0.3695 2.1427 2.1427 2.2352 2.2352 2.4456 2.4456 5.4923 5.4923 5.6094 5.6094 12.7536 12.7536 13.1580 13.1580 14.4566 14.4566 k = 0.5000-0.1413-0.5240 ( 11742 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5747 -44.5747 -40.1772 -40.1772 -19.9227 -19.9227 -19.7286 -19.7286 -19.6677 -19.6677 -19.4246 -19.4246 -19.3496 -19.3496 -19.2884 -19.2884 -4.3337 -4.3337 -4.1903 -4.1903 -3.0788 -3.0788 -3.0128 -3.0128 -2.8100 -2.8100 -2.7070 -2.7070 -1.7020 -1.7020 -1.5865 -1.5865 -1.3441 -1.3441 -0.8034 -0.8034 -0.5884 -0.5884 -0.3982 -0.3982 -0.2229 -0.2229 -0.1629 -0.1629 -0.0102 -0.0102 0.2942 0.2942 0.3315 0.3315 0.3714 0.3714 2.1477 2.1477 2.2384 2.2384 2.4481 2.4481 5.4936 5.4936 5.6082 5.6082 12.8114 12.8114 13.1944 13.1944 14.3653 14.3653 k = 0.5000-0.1318-0.5378 ( 11736 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5747 -44.5747 -40.1772 -40.1772 -19.9198 -19.9198 -19.7300 -19.7300 -19.6665 -19.6665 -19.4212 -19.4212 -19.3531 -19.3531 -19.2913 -19.2913 -4.3368 -4.3368 -4.1898 -4.1898 -3.0736 -3.0736 -3.0117 -3.0117 -2.8030 -2.8030 -2.7062 -2.7062 -1.6830 -1.6830 -1.5866 -1.5866 -1.3531 -1.3531 -0.8038 -0.8038 -0.6020 -0.6020 -0.3970 -0.3970 -0.2286 -0.2286 -0.1698 -0.1698 -0.0201 -0.0201 0.2956 0.2956 0.3289 0.3289 0.3728 0.3728 2.1519 2.1519 2.2418 2.2418 2.4509 2.4509 5.4948 5.4948 5.6069 5.6069 12.8718 12.8718 13.2310 13.2310 14.2733 14.2733 k = 0.5000-0.1223-0.5516 ( 11734 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5747 -44.5747 -40.1772 -40.1772 -19.9173 -19.9173 -19.7313 -19.7313 -19.6652 -19.6652 -19.4182 -19.4182 -19.3562 -19.3562 -19.2941 -19.2941 -4.3396 -4.3396 -4.1894 -4.1894 -3.0710 -3.0710 -3.0106 -3.0106 -2.7941 -2.7941 -2.7045 -2.7045 -1.6669 -1.6669 -1.5854 -1.5854 -1.3619 -1.3619 -0.8036 -0.8036 -0.6177 -0.6177 -0.3922 -0.3922 -0.2358 -0.2358 -0.1746 -0.1746 -0.0306 -0.0306 0.2965 0.2965 0.3268 0.3268 0.3737 0.3737 2.1553 2.1553 2.2453 2.2453 2.4541 2.4541 5.4958 5.4958 5.6054 5.6054 12.9348 12.9348 13.2676 13.2676 14.1808 14.1808 k = 0.5000-0.1128-0.5655 ( 11736 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5747 -44.5747 -40.1772 -40.1772 -19.9150 -19.9150 -19.7324 -19.7324 -19.6639 -19.6639 -19.4156 -19.4156 -19.3587 -19.3587 -19.2969 -19.2969 -4.3421 -4.3421 -4.1891 -4.1891 -3.0703 -3.0703 -3.0099 -3.0099 -2.7835 -2.7835 -2.7021 -2.7021 -1.6546 -1.6546 -1.5817 -1.5817 -1.3705 -1.3705 -0.8027 -0.8027 -0.6343 -0.6343 -0.3850 -0.3850 -0.2436 -0.2436 -0.1780 -0.1780 -0.0418 -0.0418 0.2967 0.2967 0.3252 0.3252 0.3741 0.3741 2.1580 2.1580 2.2488 2.2488 2.4575 2.4575 5.4967 5.4967 5.6038 5.6038 13.0002 13.0002 13.3035 13.3035 14.0881 14.0881 k = 0.5000-0.1034-0.5793 ( 11728 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5747 -44.5747 -40.1772 -40.1772 -19.9131 -19.9131 -19.7334 -19.7334 -19.6627 -19.6627 -19.4135 -19.4135 -19.3606 -19.3606 -19.2996 -19.2996 -4.3443 -4.3443 -4.1889 -4.1889 -3.0707 -3.0707 -3.0101 -3.0101 -2.7718 -2.7718 -2.6990 -2.6990 -1.6470 -1.6470 -1.5748 -1.5748 -1.3786 -1.3786 -0.8009 -0.8009 -0.6511 -0.6511 -0.3769 -0.3769 -0.2509 -0.2509 -0.1806 -0.1806 -0.0536 -0.0536 0.2963 0.2963 0.3243 0.3243 0.3739 0.3739 2.1602 2.1602 2.2523 2.2523 2.4611 2.4611 5.4974 5.4974 5.6021 5.6021 13.0680 13.0680 13.3379 13.3379 13.9955 13.9955 k = 0.5000-0.0939-0.5931 ( 11722 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5747 -44.5747 -40.1772 -40.1772 -19.9115 -19.9115 -19.7342 -19.7342 -19.6616 -19.6616 -19.4119 -19.4119 -19.3619 -19.3619 -19.3022 -19.3022 -4.3460 -4.3460 -4.1889 -4.1889 -3.0719 -3.0719 -3.0112 -3.0112 -2.7595 -2.7595 -2.6953 -2.6953 -1.6436 -1.6436 -1.5652 -1.5652 -1.3862 -1.3862 -0.7982 -0.7982 -0.6672 -0.6672 -0.3691 -0.3691 -0.2566 -0.2566 -0.1831 -0.1831 -0.0659 -0.0659 0.2954 0.2954 0.3239 0.3239 0.3730 0.3730 2.1619 2.1619 2.2556 2.2556 2.4648 2.4648 5.4979 5.4979 5.6002 5.6002 13.1379 13.1379 13.3699 13.3699 13.9033 13.9033 k = 0.5000-0.0844-0.6070 ( 11730 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5747 -44.5747 -40.1772 -40.1772 -19.9103 -19.9103 -19.7348 -19.7348 -19.6605 -19.6605 -19.4108 -19.4108 -19.3625 -19.3625 -19.3046 -19.3046 -4.3474 -4.3474 -4.1891 -4.1891 -3.0734 -3.0734 -3.0132 -3.0132 -2.7473 -2.7473 -2.6911 -2.6911 -1.6431 -1.6431 -1.5543 -1.5543 -1.3929 -1.3929 -0.7944 -0.7944 -0.6822 -0.6822 -0.3632 -0.3632 -0.2593 -0.2593 -0.1857 -0.1857 -0.0788 -0.0788 0.2941 0.2941 0.3240 0.3240 0.3716 0.3716 2.1634 2.1634 2.2589 2.2589 2.4684 2.4684 5.4982 5.4982 5.5983 5.5983 13.2097 13.2097 13.3985 13.3985 13.8118 13.8118 k = 0.5000-0.0749-0.6208 ( 11736 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5747 -44.5747 -40.1772 -40.1772 -19.9095 -19.9095 -19.7352 -19.7352 -19.6596 -19.6596 -19.4101 -19.4101 -19.3625 -19.3625 -19.3068 -19.3068 -4.3484 -4.3484 -4.1895 -4.1895 -3.0750 -3.0750 -3.0158 -3.0158 -2.7361 -2.7361 -2.6862 -2.6862 -1.6439 -1.6439 -1.5434 -1.5434 -1.3984 -1.3984 -0.7899 -0.7899 -0.6956 -0.6956 -0.3600 -0.3600 -0.2583 -0.2583 -0.1886 -0.1886 -0.0922 -0.0922 0.2928 0.2928 0.3243 0.3243 0.3695 0.3695 2.1647 2.1647 2.2620 2.2620 2.4720 2.4720 5.4984 5.4984 5.5962 5.5962 13.2825 13.2825 13.4224 13.4224 13.7219 13.7219 k = 0.5000-0.0654-0.6346 ( 11738 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5747 -44.5747 -40.1772 -40.1772 -19.9092 -19.9092 -19.7354 -19.7354 -19.6588 -19.6588 -19.4096 -19.4096 -19.3622 -19.3622 -19.3086 -19.3086 -4.3490 -4.3490 -4.1900 -4.1900 -3.0767 -3.0767 -3.0187 -3.0187 -2.7264 -2.7264 -2.6808 -2.6808 -1.6452 -1.6452 -1.5338 -1.5338 -1.4025 -1.4025 -0.7849 -0.7849 -0.7068 -0.7068 -0.3602 -0.3602 -0.2532 -0.2532 -0.1920 -0.1920 -0.1059 -0.1059 0.2914 0.2914 0.3246 0.3246 0.3669 0.3669 2.1659 2.1659 2.2649 2.2649 2.4754 2.4754 5.4984 5.4984 5.5941 5.5941 13.3539 13.3539 13.4403 13.4403 13.6358 13.6358 k = 0.5000-0.0559-0.6484 ( 11742 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5747 -44.5747 -40.1772 -40.1772 -19.9092 -19.9092 -19.7355 -19.7355 -19.6583 -19.6583 -19.4093 -19.4093 -19.3617 -19.3617 -19.3100 -19.3100 -4.3492 -4.3492 -4.1907 -4.1907 -3.0783 -3.0783 -3.0219 -3.0219 -2.7188 -2.7188 -2.6747 -2.6747 -1.6463 -1.6463 -1.5261 -1.5261 -1.4050 -1.4050 -0.7801 -0.7801 -0.7149 -0.7149 -0.3631 -0.3631 -0.2450 -0.2450 -0.1957 -0.1957 -0.1198 -0.1198 0.2903 0.2903 0.3248 0.3248 0.3638 0.3638 2.1671 2.1671 2.2676 2.2676 2.4785 2.4785 5.4984 5.4984 5.5918 5.5918 13.4110 13.4110 13.4521 13.4521 13.5653 13.5653 k = 0.7648 0.0841-0.2857 ( 11742 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5747 -44.5747 -40.1772 -40.1772 -19.9092 -19.9092 -19.7355 -19.7355 -19.6582 -19.6582 -19.4093 -19.4093 -19.3618 -19.3618 -19.3099 -19.3099 -4.3492 -4.3492 -4.1907 -4.1907 -3.0783 -3.0783 -3.0219 -3.0219 -2.7188 -2.7188 -2.6747 -2.6747 -1.6463 -1.6463 -1.5261 -1.5261 -1.4050 -1.4050 -0.7802 -0.7802 -0.7149 -0.7149 -0.3631 -0.3631 -0.2449 -0.2449 -0.1957 -0.1957 -0.1198 -0.1198 0.2903 0.2903 0.3249 0.3249 0.3638 0.3638 2.1671 2.1671 2.2676 2.2676 2.4785 2.4785 5.4983 5.4983 5.5919 5.5919 13.4110 13.4110 13.4521 13.4521 13.5653 13.5653 k = 0.7570 0.0894-0.2720 ( 11744 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5747 -44.5747 -40.1772 -40.1772 -19.9097 -19.9097 -19.7354 -19.7354 -19.6578 -19.6578 -19.4091 -19.4091 -19.3613 -19.3613 -19.3108 -19.3108 -4.3490 -4.3490 -4.1916 -4.1916 -3.0797 -3.0797 -3.0250 -3.0250 -2.7136 -2.7136 -2.6683 -2.6683 -1.6467 -1.6467 -1.5208 -1.5208 -1.4055 -1.4055 -0.7767 -0.7767 -0.7188 -0.7188 -0.3678 -0.3678 -0.2352 -0.2352 -0.1994 -0.1994 -0.1335 -0.1335 0.2893 0.2893 0.3247 0.3247 0.3604 0.3604 2.1684 2.1684 2.2701 2.2701 2.4812 2.4812 5.4982 5.4982 5.5896 5.5896 13.4036 13.4036 13.4509 13.4509 13.5667 13.5667 k = 0.7492 0.0947-0.2582 ( 11744 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5747 -44.5747 -40.1772 -40.1772 -19.9105 -19.9105 -19.7351 -19.7351 -19.6577 -19.6577 -19.4088 -19.4088 -19.3610 -19.3610 -19.3110 -19.3110 -4.3484 -4.3484 -4.1928 -4.1928 -3.0811 -3.0811 -3.0279 -3.0279 -2.7108 -2.7108 -2.6617 -2.6617 -1.6463 -1.6463 -1.5179 -1.5179 -1.4043 -1.4043 -0.7754 -0.7754 -0.7177 -0.7177 -0.3734 -0.3734 -0.2265 -0.2265 -0.2020 -0.2020 -0.1465 -0.1465 0.2886 0.2886 0.3240 0.3240 0.3570 0.3570 2.1697 2.1697 2.2723 2.2723 2.4836 2.4836 5.4979 5.4979 5.5872 5.5872 13.3337 13.3337 13.4413 13.4413 13.6328 13.6328 k = 0.7414 0.1000-0.2445 ( 11746 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5747 -44.5747 -40.1773 -40.1773 -19.9118 -19.9118 -19.7347 -19.7347 -19.6577 -19.6577 -19.4085 -19.4085 -19.3607 -19.3607 -19.3106 -19.3106 -4.3475 -4.3475 -4.1941 -4.1941 -3.0824 -3.0824 -3.0303 -3.0303 -2.7103 -2.7103 -2.6552 -2.6552 -1.6448 -1.6448 -1.5172 -1.5172 -1.4015 -1.4015 -0.7763 -0.7763 -0.7117 -0.7117 -0.3794 -0.3794 -0.2235 -0.2235 -0.2010 -0.2010 -0.1569 -0.1569 0.2880 0.2880 0.3226 0.3226 0.3537 0.3537 2.1712 2.1712 2.2744 2.2744 2.4856 2.4856 5.4976 5.4976 5.5848 5.5848 13.2512 13.2512 13.4243 13.4243 13.7132 13.7132 k = 0.7336 0.1053-0.2308 ( 11742 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5747 -44.5747 -40.1773 -40.1773 -19.9135 -19.9135 -19.7341 -19.7341 -19.6580 -19.6580 -19.4083 -19.4083 -19.3606 -19.3606 -19.3096 -19.3096 -4.3462 -4.3462 -4.1956 -4.1956 -3.0837 -3.0837 -3.0322 -3.0322 -2.7120 -2.7120 -2.6490 -2.6490 -1.6425 -1.6425 -1.5182 -1.5182 -1.3978 -1.3978 -0.7781 -0.7781 -0.7019 -0.7019 -0.3854 -0.3854 -0.2269 -0.2269 -0.2002 -0.2002 -0.1605 -0.1605 0.2873 0.2873 0.3203 0.3203 0.3508 0.3508 2.1729 2.1729 2.2762 2.2762 2.4871 2.4871 5.4973 5.4973 5.5823 5.5823 13.1667 13.1667 13.3996 13.3996 13.7985 13.7985 k = 0.7259 0.1106-0.2170 ( 11736 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5747 -44.5747 -40.1772 -40.1772 -19.9156 -19.9156 -19.7333 -19.7333 -19.6584 -19.6584 -19.4084 -19.4084 -19.3604 -19.3604 -19.3080 -19.3080 -4.3445 -4.3445 -4.1974 -4.1974 -3.0850 -3.0850 -3.0333 -3.0333 -2.7157 -2.7157 -2.6432 -2.6432 -1.6392 -1.6392 -1.5207 -1.5207 -1.3936 -1.3936 -0.7800 -0.7800 -0.6894 -0.6894 -0.3912 -0.3912 -0.2335 -0.2335 -0.2059 -0.2059 -0.1542 -0.1542 0.2864 0.2864 0.3171 0.3171 0.3485 0.3485 2.1747 2.1747 2.2778 2.2778 2.4880 2.4880 5.4970 5.4970 5.5798 5.5798 13.0823 13.0823 13.3682 13.3682 13.8867 13.8867 k = 0.7181 0.1159-0.2033 ( 11738 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5746 -44.5746 -40.1772 -40.1772 -19.9180 -19.9180 -19.7324 -19.7324 -19.6590 -19.6590 -19.4088 -19.4088 -19.3598 -19.3598 -19.3059 -19.3059 -4.3426 -4.3426 -4.1993 -4.1993 -3.0865 -3.0865 -3.0336 -3.0336 -2.7214 -2.7214 -2.6379 -2.6379 -1.6353 -1.6353 -1.5240 -1.5240 -1.3893 -1.3893 -0.7814 -0.7814 -0.6749 -0.6749 -0.3967 -0.3967 -0.2419 -0.2419 -0.2151 -0.2151 -0.1422 -0.1422 0.2848 0.2848 0.3135 0.3135 0.3468 0.3468 2.1767 2.1767 2.2792 2.2792 2.4885 2.4885 5.4967 5.4967 5.5772 5.5772 12.9988 12.9988 13.3315 13.3315 13.9772 13.9772 k = 0.7103 0.1212-0.1896 ( 11734 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5746 -44.5746 -40.1772 -40.1772 -19.9208 -19.9208 -19.7313 -19.7313 -19.6597 -19.6597 -19.4097 -19.4097 -19.3588 -19.3588 -19.3035 -19.3035 -4.3403 -4.3403 -4.2015 -4.2015 -3.0881 -3.0881 -3.0330 -3.0330 -2.7289 -2.7289 -2.6330 -2.6330 -1.6309 -1.6309 -1.5278 -1.5278 -1.3853 -1.3853 -0.7819 -0.7819 -0.6589 -0.6589 -0.4017 -0.4017 -0.2519 -0.2519 -0.2242 -0.2242 -0.1281 -0.1281 0.2818 0.2818 0.3102 0.3102 0.3456 0.3456 2.1789 2.1789 2.2803 2.2803 2.4884 2.4884 5.4965 5.4965 5.5746 5.5746 12.9164 12.9164 13.2906 13.2906 14.0696 14.0696 k = 0.7025 0.1265-0.1758 ( 11732 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5746 -44.5746 -40.1772 -40.1772 -19.9239 -19.9239 -19.7300 -19.7300 -19.6605 -19.6605 -19.4112 -19.4112 -19.3571 -19.3571 -19.3008 -19.3008 -4.3378 -4.3378 -4.2038 -4.2038 -3.0897 -3.0897 -3.0316 -3.0316 -2.7379 -2.7379 -2.6284 -2.6284 -1.6265 -1.6265 -1.5319 -1.5319 -1.3818 -1.3818 -0.7817 -0.7817 -0.6418 -0.6418 -0.4062 -0.4062 -0.2632 -0.2632 -0.2320 -0.2320 -0.1132 -0.1132 0.2770 0.2770 0.3079 0.3079 0.3447 0.3447 2.1813 2.1813 2.2812 2.2812 2.4878 2.4878 5.4963 5.4963 5.5720 5.5720 12.8355 12.8355 13.2466 13.2466 14.1638 14.1638 k = 0.6947 0.1318-0.1621 ( 11734 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5746 -44.5746 -40.1772 -40.1772 -19.9273 -19.9273 -19.7286 -19.7286 -19.6615 -19.6615 -19.4135 -19.4135 -19.3547 -19.3547 -19.2978 -19.2978 -4.3351 -4.3351 -4.2064 -4.2064 -3.0915 -3.0915 -3.0294 -3.0294 -2.7483 -2.7483 -2.6241 -2.6241 -1.6224 -1.6224 -1.5359 -1.5359 -1.3791 -1.3791 -0.7808 -0.7808 -0.6236 -0.6236 -0.4103 -0.4103 -0.2750 -0.2750 -0.2381 -0.2381 -0.0980 -0.0980 0.2702 0.2702 0.3067 0.3067 0.3439 0.3439 2.1838 2.1838 2.2818 2.2818 2.4867 2.4867 5.4963 5.4963 5.5694 5.5694 12.7562 12.7562 13.2004 13.2004 14.2595 14.2595 k = 0.6869 0.1371-0.1483 ( 11732 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5746 -44.5746 -40.1772 -40.1772 -19.9309 -19.9309 -19.7271 -19.7271 -19.6624 -19.6624 -19.4164 -19.4164 -19.3517 -19.3517 -19.2947 -19.2947 -4.3322 -4.3322 -4.2091 -4.2091 -3.0933 -3.0933 -3.0265 -3.0265 -2.7596 -2.7596 -2.6202 -2.6202 -1.6191 -1.6191 -1.5395 -1.5395 -1.3772 -1.3772 -0.7794 -0.7794 -0.6047 -0.6047 -0.4139 -0.4139 -0.2870 -0.2870 -0.2424 -0.2424 -0.0829 -0.0829 0.2618 0.2618 0.3063 0.3063 0.3431 0.3431 2.1864 2.1864 2.2821 2.2821 2.4851 2.4851 5.4964 5.4964 5.5667 5.5667 12.6787 12.6787 13.1528 13.1528 14.3567 14.3567 k = 0.6791 0.1424-0.1346 ( 11726 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5746 -44.5746 -40.1772 -40.1772 -19.9348 -19.9348 -19.7254 -19.7254 -19.6634 -19.6634 -19.4199 -19.4199 -19.3480 -19.3480 -19.2915 -19.2915 -4.3291 -4.3291 -4.2120 -4.2120 -3.0951 -3.0951 -3.0229 -3.0229 -2.7717 -2.7717 -2.6165 -2.6165 -1.6171 -1.6171 -1.5422 -1.5422 -1.3763 -1.3763 -0.7778 -0.7778 -0.5854 -0.5854 -0.4171 -0.4171 -0.2984 -0.2984 -0.2448 -0.2448 -0.0679 -0.0679 0.2523 0.2523 0.3065 0.3065 0.3423 0.3423 2.1890 2.1890 2.2821 2.2821 2.4830 2.4830 5.4967 5.4967 5.5641 5.5641 12.6031 12.6031 13.1044 13.1044 14.4553 14.4553 k = 0.6713 0.1477-0.1209 ( 11726 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5746 -44.5746 -40.1772 -40.1772 -19.9388 -19.9388 -19.7235 -19.7235 -19.6644 -19.6644 -19.4238 -19.4238 -19.3438 -19.3438 -19.2882 -19.2882 -4.3259 -4.3259 -4.2151 -4.2151 -3.0969 -3.0969 -3.0189 -3.0189 -2.7841 -2.7841 -2.6130 -2.6130 -1.6169 -1.6169 -1.5437 -1.5437 -1.3764 -1.3764 -0.7762 -0.7762 -0.5660 -0.5660 -0.4197 -0.4197 -0.3092 -0.3092 -0.2449 -0.2449 -0.0531 -0.0531 0.2420 0.2420 0.3069 0.3069 0.3414 0.3414 2.1916 2.1916 2.2819 2.2819 2.4805 2.4805 5.4971 5.4971 5.5614 5.5614 12.5296 12.5296 13.0556 13.0556 14.5550 14.5550 k = 0.6635 0.1531-0.1071 ( 11730 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5746 -44.5746 -40.1772 -40.1772 -19.9430 -19.9430 -19.7216 -19.7216 -19.6654 -19.6654 -19.4282 -19.4282 -19.3393 -19.3393 -19.2848 -19.2848 -4.3226 -4.3226 -4.2183 -4.2183 -3.0987 -3.0987 -3.0144 -3.0144 -2.7965 -2.7965 -2.6097 -2.6097 -1.6188 -1.6188 -1.5438 -1.5438 -1.3776 -1.3776 -0.7750 -0.7750 -0.5469 -0.5469 -0.4218 -0.4218 -0.3189 -0.3189 -0.2426 -0.2426 -0.0386 -0.0386 0.2310 0.2310 0.3074 0.3074 0.3404 0.3404 2.1942 2.1942 2.2814 2.2814 2.4775 2.4775 5.4977 5.4977 5.5588 5.5588 12.4583 12.4583 13.0070 13.0070 14.6557 14.6557 k = 0.6558 0.1584-0.0934 ( 11722 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5746 -44.5746 -40.1772 -40.1772 -19.9473 -19.9473 -19.7194 -19.7194 -19.6663 -19.6663 -19.4329 -19.4329 -19.3344 -19.3344 -19.2815 -19.2815 -4.3193 -4.3193 -4.2217 -4.2217 -3.1005 -3.1005 -3.0096 -3.0096 -2.8087 -2.8087 -2.6066 -2.6066 -1.6227 -1.6227 -1.5426 -1.5426 -1.3797 -1.3797 -0.7744 -0.7744 -0.5285 -0.5285 -0.4233 -0.4233 -0.3276 -0.3276 -0.2373 -0.2373 -0.0244 -0.0244 0.2196 0.2196 0.3079 0.3079 0.3392 0.3392 2.1966 2.1966 2.2806 2.2806 2.4743 2.4743 5.4984 5.4984 5.5562 5.5562 12.3893 12.3893 12.9587 12.9587 14.7575 14.7575 k = 0.6480 0.1637-0.0797 ( 11734 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5746 -44.5746 -40.1773 -40.1773 -19.9516 -19.9516 -19.7171 -19.7171 -19.6673 -19.6673 -19.4379 -19.4379 -19.3294 -19.3294 -19.2782 -19.2782 -4.3159 -4.3159 -4.2252 -4.2252 -3.1024 -3.1024 -3.0047 -3.0047 -2.8202 -2.8202 -2.6037 -2.6037 -1.6285 -1.6285 -1.5404 -1.5404 -1.3827 -1.3827 -0.7747 -0.7747 -0.5112 -0.5112 -0.4240 -0.4240 -0.3352 -0.3352 -0.2288 -0.2288 -0.0107 -0.0107 0.2079 0.2079 0.3083 0.3083 0.3379 0.3379 2.1989 2.1989 2.2796 2.2796 2.4709 2.4709 5.4994 5.4994 5.5537 5.5537 12.3228 12.3228 12.9112 12.9112 14.8600 14.8600 k = 0.6402 0.1690-0.0659 ( 11732 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5746 -44.5746 -40.1773 -40.1773 -19.9560 -19.9560 -19.7147 -19.7147 -19.6681 -19.6681 -19.4430 -19.4430 -19.3243 -19.3243 -19.2749 -19.2749 -4.3125 -4.3125 -4.2287 -4.2287 -3.1044 -3.1044 -2.9996 -2.9996 -2.8309 -2.8309 -2.6010 -2.6010 -1.6358 -1.6358 -1.5374 -1.5374 -1.3866 -1.3866 -0.7760 -0.7760 -0.4955 -0.4955 -0.4238 -0.4238 -0.3418 -0.3418 -0.2170 -0.2170 0.0026 0.0026 0.1960 0.1960 0.3084 0.3084 0.3364 0.3364 2.2008 2.2008 2.2784 2.2784 2.4672 2.4672 5.5005 5.5005 5.5512 5.5512 12.2589 12.2589 12.8647 12.8647 14.9632 14.9632 k = 0.6324 0.1743-0.0522 ( 11720 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5746 -44.5746 -40.1772 -40.1772 -19.9605 -19.9605 -19.7122 -19.7122 -19.6689 -19.6689 -19.4483 -19.4483 -19.3193 -19.3193 -19.2716 -19.2716 -4.3092 -4.3092 -4.2323 -4.2323 -3.1066 -3.1066 -2.9946 -2.9946 -2.8404 -2.8404 -2.5983 -2.5983 -1.6442 -1.6442 -1.5340 -1.5340 -1.3913 -1.3913 -0.7784 -0.7784 -0.4817 -0.4817 -0.4226 -0.4226 -0.3472 -0.3472 -0.2019 -0.2019 0.0154 0.0154 0.1842 0.1842 0.3084 0.3084 0.3348 0.3348 2.2023 2.2023 2.2770 2.2770 2.4635 2.4635 5.5018 5.5018 5.5487 5.5487 12.1977 12.1977 12.8195 12.8195 15.0670 15.0670 k = 0.6246 0.1796-0.0384 ( 11724 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5746 -44.5746 -40.1772 -40.1772 -19.9648 -19.9648 -19.7096 -19.7096 -19.6697 -19.6697 -19.4537 -19.4537 -19.3142 -19.3142 -19.2684 -19.2684 -4.3059 -4.3059 -4.2360 -4.2360 -3.1091 -3.1091 -2.9897 -2.9897 -2.8486 -2.8486 -2.5958 -2.5958 -1.6536 -1.6536 -1.5304 -1.5304 -1.3967 -1.3967 -0.7821 -0.7821 -0.4696 -0.4696 -0.4203 -0.4203 -0.3518 -0.3518 -0.1837 -0.1837 0.0277 0.0277 0.1724 0.1724 0.3081 0.3081 0.3329 0.3329 2.2032 2.2032 2.2755 2.2755 2.4597 2.4597 5.5033 5.5033 5.5464 5.5464 12.1394 12.1394 12.7758 12.7758 15.1712 15.1712 k = 0.6168 0.1849-0.0247 ( 11716 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5746 -44.5746 -40.1772 -40.1772 -19.9691 -19.9691 -19.7069 -19.7069 -19.6703 -19.6703 -19.4591 -19.4591 -19.3094 -19.3094 -19.2652 -19.2652 -4.3027 -4.3027 -4.2397 -4.2397 -3.1119 -3.1119 -2.9850 -2.9850 -2.8552 -2.8552 -2.5934 -2.5934 -1.6636 -1.6636 -1.5267 -1.5267 -1.4026 -1.4026 -0.7868 -0.7868 -0.4591 -0.4591 -0.4171 -0.4171 -0.3555 -0.3555 -0.1629 -0.1629 0.0393 0.0393 0.1611 0.1611 0.3075 0.3075 0.3309 0.3309 2.2036 2.2036 2.2739 2.2739 2.4560 2.4560 5.5049 5.5049 5.5440 5.5440 12.0839 12.0839 12.7337 12.7337 15.2755 15.2755 k = 0.6090 0.1902-0.0110 ( 11728 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5746 -44.5746 -40.1773 -40.1773 -19.9733 -19.9733 -19.7040 -19.7040 -19.6710 -19.6710 -19.4645 -19.4645 -19.3047 -19.3047 -19.2621 -19.2621 -4.2997 -4.2997 -4.2433 -4.2433 -3.1150 -3.1150 -2.9806 -2.9806 -2.8603 -2.8603 -2.5912 -2.5912 -1.6741 -1.6741 -1.5232 -1.5232 -1.4089 -1.4089 -0.7926 -0.7926 -0.4500 -0.4500 -0.4131 -0.4131 -0.3584 -0.3584 -0.1402 -0.1402 0.0501 0.0501 0.1502 0.1502 0.3067 0.3067 0.3288 0.3288 2.2033 2.2033 2.2725 2.2725 2.4524 2.4524 5.5066 5.5066 5.5418 5.5418 12.0315 12.0315 12.6935 12.6935 15.3798 15.3798 k = 0.6012 0.1955 0.0028 ( 11730 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5746 -44.5746 -40.1773 -40.1773 -19.9774 -19.9774 -19.7012 -19.7012 -19.6715 -19.6715 -19.4698 -19.4698 -19.3002 -19.3002 -19.2591 -19.2591 -4.2968 -4.2968 -4.2469 -4.2469 -3.1184 -3.1184 -2.9765 -2.9765 -2.8637 -2.8637 -2.5890 -2.5890 -1.6849 -1.6849 -1.5199 -1.5199 -1.4153 -1.4153 -0.7991 -0.7991 -0.4418 -0.4418 -0.4087 -0.4087 -0.3607 -0.3607 -0.1163 -0.1163 0.0600 0.0600 0.1404 0.1404 0.3056 0.3056 0.3266 0.3266 2.2022 2.2022 2.2712 2.2712 2.4490 2.4490 5.5083 5.5083 5.5397 5.5397 11.9822 11.9822 12.6553 12.6553 15.4839 15.4839 k = 0.5935 0.2008 0.0165 ( 11738 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5746 -44.5746 -40.1773 -40.1773 -19.9813 -19.9813 -19.6983 -19.6983 -19.6720 -19.6720 -19.4751 -19.4751 -19.2960 -19.2960 -19.2562 -19.2562 -4.2941 -4.2941 -4.2503 -4.2503 -3.1221 -3.1221 -2.9727 -2.9727 -2.8656 -2.8656 -2.5869 -2.5869 -1.6958 -1.6958 -1.5169 -1.5169 -1.4218 -1.4218 -0.8063 -0.8063 -0.4341 -0.4341 -0.4041 -0.4041 -0.3624 -0.3624 -0.0920 -0.0920 0.0687 0.0687 0.1320 0.1320 0.3042 0.3042 0.3242 0.3242 2.2003 2.2003 2.2701 2.2701 2.4459 2.4459 5.5102 5.5102 5.5377 5.5377 11.9362 11.9362 12.6192 12.6192 15.5873 15.5873 k = 0.5857 0.2061 0.0302 ( 11736 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5746 -44.5746 -40.1773 -40.1773 -19.9849 -19.9849 -19.6954 -19.6954 -19.6725 -19.6725 -19.4802 -19.4802 -19.2922 -19.2922 -19.2533 -19.2533 -4.2917 -4.2917 -4.2536 -4.2536 -3.1261 -3.1261 -2.9692 -2.9692 -2.8662 -2.8662 -2.5848 -2.5848 -1.7067 -1.7067 -1.5142 -1.5142 -1.4282 -1.4282 -0.8139 -0.8139 -0.4267 -0.4267 -0.3995 -0.3995 -0.3635 -0.3635 -0.0681 -0.0681 0.0756 0.0756 0.1260 0.1260 0.3026 0.3026 0.3218 0.3218 2.1977 2.1977 2.2693 2.2693 2.4430 2.4430 5.5120 5.5120 5.5358 5.5358 11.8935 11.8935 12.5855 12.5855 15.6898 15.6898 k = 0.5779 0.2114 0.0440 ( 11744 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5746 -44.5746 -40.1773 -40.1773 -19.9884 -19.9884 -19.6925 -19.6925 -19.6729 -19.6729 -19.4852 -19.4852 -19.2886 -19.2886 -19.2506 -19.2506 -4.2894 -4.2894 -4.2567 -4.2567 -3.1302 -3.1302 -2.9659 -2.9659 -2.8657 -2.8657 -2.5829 -2.5829 -1.7174 -1.7174 -1.5120 -1.5120 -1.4342 -1.4342 -0.8216 -0.8216 -0.4196 -0.4196 -0.3951 -0.3951 -0.3642 -0.3642 -0.0457 -0.0457 0.0803 0.0803 0.1232 0.1232 0.3007 0.3007 0.3193 0.3193 2.1945 2.1945 2.2687 2.2687 2.4405 2.4405 5.5139 5.5139 5.5340 5.5340 11.8542 11.8542 12.5543 12.5543 15.7907 15.7907 k = 0.5701 0.2167 0.0577 ( 11746 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5746 -44.5746 -40.1773 -40.1773 -19.9916 -19.9916 -19.6897 -19.6897 -19.6732 -19.6732 -19.4899 -19.4899 -19.2854 -19.2854 -19.2481 -19.2481 -4.2875 -4.2875 -4.2595 -4.2595 -3.1344 -3.1344 -2.9628 -2.9628 -2.8643 -2.8643 -2.5811 -2.5811 -1.7277 -1.7277 -1.5102 -1.5102 -1.4398 -1.4398 -0.8293 -0.8293 -0.4127 -0.4127 -0.3910 -0.3910 -0.3644 -0.3644 -0.0260 -0.0260 0.0832 0.0832 0.1242 0.1242 0.2987 0.2987 0.3168 0.3168 2.1907 2.1907 2.2683 2.2683 2.4382 2.4382 5.5157 5.5157 5.5324 5.5324 11.8184 11.8184 12.5256 12.5256 15.8891 15.8891 k = 0.5623 0.2220 0.0715 ( 11758 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5746 -44.5746 -40.1773 -40.1773 -19.9945 -19.9945 -19.6870 -19.6870 -19.6735 -19.6735 -19.4943 -19.4943 -19.2826 -19.2826 -19.2457 -19.2457 -4.2858 -4.2858 -4.2620 -4.2620 -3.1384 -3.1384 -2.9600 -2.9600 -2.8624 -2.8624 -2.5794 -2.5794 -1.7375 -1.7375 -1.5090 -1.5090 -1.4447 -1.4447 -0.8367 -0.8367 -0.4061 -0.4061 -0.3874 -0.3874 -0.3643 -0.3643 -0.0105 -0.0105 0.0862 0.0862 0.1280 0.1280 0.2964 0.2964 0.3143 0.3143 2.1866 2.1866 2.2681 2.2681 2.4363 2.4363 5.5174 5.5174 5.5309 5.5309 11.7862 11.7862 12.4997 12.4997 15.9839 15.9839 k = 0.5545 0.2273 0.0852 ( 11748 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5745 -44.5745 -40.1773 -40.1773 -19.9971 -19.9971 -19.6844 -19.6844 -19.6737 -19.6737 -19.4984 -19.4984 -19.2801 -19.2801 -19.2435 -19.2435 -4.2845 -4.2845 -4.2642 -4.2642 -3.1423 -3.1423 -2.9574 -2.9574 -2.8601 -2.8601 -2.5779 -2.5779 -1.7467 -1.7467 -1.5083 -1.5083 -1.4489 -1.4489 -0.8436 -0.8436 -0.3999 -0.3999 -0.3842 -0.3842 -0.3637 -0.3637 -0.0002 -0.0002 0.0915 0.0915 0.1334 0.1334 0.2941 0.2941 0.3119 0.3119 2.1824 2.1824 2.2680 2.2680 2.4346 2.4346 5.5190 5.5190 5.5296 5.5296 11.7576 11.7576 12.4765 12.4765 16.0735 16.0735 k = 0.5467 0.2326 0.0989 ( 11748 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5745 -44.5745 -40.1773 -40.1773 -19.9995 -19.9995 -19.6820 -19.6820 -19.6740 -19.6740 -19.5021 -19.5021 -19.2779 -19.2779 -19.2415 -19.2415 -4.2836 -4.2836 -4.2659 -4.2659 -3.1459 -3.1459 -2.9549 -2.9549 -2.8577 -2.8577 -2.5765 -2.5765 -1.7550 -1.7550 -1.5081 -1.5081 -1.4523 -1.4523 -0.8500 -0.8500 -0.3943 -0.3943 -0.3815 -0.3815 -0.3629 -0.3629 0.0049 0.0049 0.0994 0.0994 0.1394 0.1394 0.2917 0.2917 0.3096 0.3096 2.1783 2.1783 2.2680 2.2680 2.4333 2.4333 5.5205 5.5205 5.5285 5.5285 11.7327 11.7327 12.4562 12.4562 16.1570 16.1570 k = 0.5389 0.2379 0.1127 ( 11752 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5745 -44.5745 -40.1773 -40.1773 -20.0014 -20.0014 -19.6799 -19.6799 -19.6741 -19.6741 -19.5054 -19.5054 -19.2761 -19.2761 -19.2398 -19.2398 -4.2830 -4.2830 -4.2671 -4.2671 -3.1490 -3.1490 -2.9528 -2.9528 -2.8553 -2.8553 -2.5753 -2.5753 -1.7624 -1.7624 -1.5083 -1.5083 -1.4549 -1.4549 -0.8556 -0.8556 -0.3893 -0.3893 -0.3793 -0.3793 -0.3619 -0.3619 0.0062 0.0062 0.1088 0.1088 0.1456 0.1456 0.2893 0.2893 0.3074 0.3074 2.1744 2.1744 2.2681 2.2681 2.4322 2.4322 5.5218 5.5218 5.5275 5.5275 11.7115 11.7115 12.4390 12.4390 16.2341 16.2341 k = 0.5312 0.2432 0.1264 ( 11756 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5745 -44.5745 -40.1773 -40.1773 -20.0031 -20.0031 -19.6781 -19.6781 -19.6743 -19.6743 -19.5082 -19.5082 -19.2747 -19.2747 -19.2384 -19.2384 -4.2828 -4.2828 -4.2680 -4.2680 -3.1517 -3.1517 -2.9510 -2.9510 -2.8531 -2.8531 -2.5742 -2.5742 -1.7686 -1.7686 -1.5088 -1.5088 -1.4568 -1.4568 -0.8603 -0.8603 -0.3853 -0.3853 -0.3775 -0.3775 -0.3607 -0.3607 0.0054 0.0054 0.1179 0.1179 0.1517 0.1517 0.2871 0.2871 0.3054 0.3054 2.1710 2.1710 2.2682 2.2682 2.4313 2.4313 5.5228 5.5228 5.5268 5.5268 11.6942 11.6942 12.4247 12.4247 16.3046 16.3046 k = 0.5234 0.2485 0.1402 ( 11768 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5745 -44.5745 -40.1773 -40.1773 -20.0044 -20.0044 -19.6766 -19.6766 -19.6744 -19.6744 -19.5104 -19.5104 -19.2735 -19.2735 -19.2373 -19.2373 -4.2828 -4.2828 -4.2684 -4.2684 -3.1539 -3.1539 -2.9495 -2.9495 -2.8513 -2.8513 -2.5734 -2.5734 -1.7736 -1.7736 -1.5094 -1.5094 -1.4581 -1.4581 -0.8641 -0.8641 -0.3823 -0.3823 -0.3759 -0.3759 -0.3596 -0.3596 0.0038 0.0038 0.1254 0.1254 0.1574 0.1574 0.2852 0.2852 0.3037 0.3037 2.1682 2.1682 2.2682 2.2682 2.4307 2.4307 5.5236 5.5236 5.5263 5.5263 11.6806 11.6806 12.4136 12.4136 16.3668 16.3668 k = 0.5156 0.2538 0.1539 ( 11762 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5745 -44.5745 -40.1773 -40.1773 -20.0053 -20.0053 -19.6755 -19.6755 -19.6745 -19.6745 -19.5120 -19.5120 -19.2727 -19.2727 -19.2364 -19.2364 -4.2829 -4.2829 -4.2687 -4.2687 -3.1555 -3.1555 -2.9484 -2.9484 -2.8500 -2.8500 -2.5728 -2.5728 -1.7772 -1.7772 -1.5100 -1.5100 -1.4589 -1.4589 -0.8668 -0.8668 -0.3803 -0.3803 -0.3745 -0.3745 -0.3587 -0.3587 0.0022 0.0022 0.1308 0.1308 0.1622 0.1622 0.2837 0.2837 0.3024 0.3024 2.1660 2.1660 2.2683 2.2683 2.4302 2.4302 5.5240 5.5240 5.5260 5.5260 11.6709 11.6709 12.4056 12.4056 16.4169 16.4169 k = 0.5078 0.2591 0.1676 ( 11746 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5745 -44.5745 -40.1773 -40.1773 -20.0058 -20.0058 -19.6748 -19.6748 -19.6745 -19.6745 -19.5130 -19.5130 -19.2722 -19.2722 -19.2359 -19.2359 -4.2830 -4.2830 -4.2688 -4.2688 -3.1565 -3.1565 -2.9477 -2.9477 -2.8492 -2.8492 -2.5724 -2.5724 -1.7794 -1.7794 -1.5104 -1.5104 -1.4594 -1.4594 -0.8685 -0.8685 -0.3793 -0.3793 -0.3736 -0.3736 -0.3581 -0.3581 0.0011 0.0011 0.1339 0.1339 0.1655 0.1655 0.2827 0.2827 0.3015 0.3015 2.1647 2.1647 2.2684 2.2684 2.4300 2.4300 5.5242 5.5242 5.5259 5.5259 11.6651 11.6651 12.4008 12.4008 16.4495 16.4495 k = 0.5000 0.2644 0.1814 ( 11728 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5745 -44.5745 -40.1773 -40.1773 -20.0060 -20.0060 -19.6746 -19.6746 -19.6745 -19.6745 -19.5133 -19.5133 -19.2721 -19.2721 -19.2358 -19.2358 -4.2831 -4.2831 -4.2688 -4.2688 -3.1568 -3.1568 -2.9475 -2.9475 -2.8489 -2.8489 -2.5723 -2.5723 -1.7801 -1.7801 -1.5105 -1.5105 -1.4595 -1.4595 -0.8690 -0.8690 -0.3790 -0.3790 -0.3732 -0.3732 -0.3579 -0.3579 0.0007 0.0007 0.1350 0.1350 0.1666 0.1666 0.2823 0.2823 0.3013 0.3013 2.1643 2.1643 2.2684 2.2684 2.4299 2.4299 5.5242 5.5242 5.5260 5.5260 11.6631 11.6631 12.3992 12.3992 16.4604 16.4604 k = 0.5000 0.2644 0.1814 ( 11728 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5745 -44.5745 -40.1773 -40.1773 -20.0060 -20.0060 -19.6746 -19.6746 -19.6745 -19.6745 -19.5133 -19.5133 -19.2721 -19.2721 -19.2358 -19.2358 -4.2831 -4.2831 -4.2688 -4.2688 -3.1568 -3.1568 -2.9475 -2.9475 -2.8489 -2.8489 -2.5723 -2.5723 -1.7801 -1.7801 -1.5105 -1.5105 -1.4595 -1.4595 -0.8690 -0.8690 -0.3790 -0.3790 -0.3732 -0.3732 -0.3579 -0.3579 0.0007 0.0007 0.1350 0.1350 0.1666 0.1666 0.2823 0.2823 0.3013 0.3013 2.1643 2.1643 2.2684 2.2684 2.4299 2.4299 5.5242 5.5242 5.5260 5.5260 11.6631 11.6631 12.3992 12.3992 16.4604 16.4604 k = 0.4857 0.2569 0.1762 ( 11749 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5745 -44.5745 -40.1773 -40.1773 -20.0065 -20.0065 -19.6746 -19.6746 -19.6745 -19.6745 -19.5129 -19.5129 -19.2721 -19.2721 -19.2358 -19.2358 -4.2827 -4.2827 -4.2684 -4.2684 -3.1567 -3.1567 -2.9480 -2.9480 -2.8494 -2.8494 -2.5743 -2.5743 -1.7794 -1.7794 -1.5110 -1.5110 -1.4600 -1.4600 -0.8670 -0.8670 -0.3790 -0.3790 -0.3730 -0.3730 -0.3581 -0.3581 0.0010 0.0010 0.1350 0.1350 0.1666 0.1666 0.2829 0.2829 0.3018 0.3018 2.1641 2.1641 2.2682 2.2682 2.4297 2.4297 5.5246 5.5246 5.5263 5.5263 11.6498 11.6498 12.4131 12.4131 16.4593 16.4593 k = 0.4714 0.2493 0.1710 ( 11755 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5745 -44.5745 -40.1773 -40.1773 -20.0078 -20.0078 -19.6745 -19.6745 -19.6744 -19.6744 -19.5115 -19.5115 -19.2722 -19.2722 -19.2359 -19.2359 -4.2815 -4.2815 -4.2672 -4.2672 -3.1566 -3.1566 -2.9495 -2.9495 -2.8511 -2.8511 -2.5803 -2.5803 -1.7773 -1.7773 -1.5122 -1.5122 -1.4615 -1.4615 -0.8608 -0.8608 -0.3789 -0.3789 -0.3724 -0.3724 -0.3588 -0.3588 0.0016 0.0016 0.1349 0.1349 0.1666 0.1666 0.2845 0.2845 0.3034 0.3034 2.1634 2.1634 2.2675 2.2675 2.4291 2.4291 5.5256 5.5256 5.5273 5.5273 11.6126 11.6126 12.4520 12.4520 16.4562 16.4562 k = 0.4571 0.2418 0.1658 ( 11749 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5745 -44.5745 -40.1773 -40.1773 -20.0099 -20.0099 -19.6743 -19.6743 -19.6742 -19.6742 -19.5092 -19.5092 -19.2724 -19.2724 -19.2361 -19.2361 -4.2796 -4.2796 -4.2653 -4.2653 -3.1564 -3.1564 -2.9521 -2.9521 -2.8538 -2.8538 -2.5901 -2.5901 -1.7739 -1.7739 -1.5144 -1.5144 -1.4639 -1.4639 -0.8506 -0.8506 -0.3789 -0.3789 -0.3713 -0.3713 -0.3597 -0.3597 0.0028 0.0028 0.1348 0.1348 0.1665 0.1665 0.2871 0.2871 0.3059 0.3059 2.1622 2.1622 2.2664 2.2664 2.4280 2.4280 5.5274 5.5274 5.5291 5.5291 11.5574 11.5574 12.5100 12.5100 16.4511 16.4511 k = 0.4429 0.2342 0.1606 ( 11752 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5745 -44.5745 -40.1773 -40.1773 -20.0128 -20.0128 -19.6741 -19.6741 -19.6739 -19.6739 -19.5060 -19.5060 -19.2726 -19.2726 -19.2364 -19.2364 -4.2769 -4.2769 -4.2626 -4.2626 -3.1562 -3.1562 -2.9556 -2.9556 -2.8575 -2.8575 -2.6033 -2.6033 -1.7695 -1.7695 -1.5176 -1.5176 -1.4674 -1.4674 -0.8365 -0.8365 -0.3794 -0.3794 -0.3695 -0.3695 -0.3603 -0.3603 0.0043 0.0043 0.1347 0.1347 0.1665 0.1665 0.2906 0.2906 0.3093 0.3093 2.1607 2.1607 2.2648 2.2648 2.4266 2.4266 5.5298 5.5298 5.5314 5.5314 11.4903 11.4903 12.5811 12.5811 16.4443 16.4443 k = 0.4286 0.2267 0.1555 ( 11779 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5745 -44.5745 -40.1773 -40.1773 -20.0165 -20.0165 -19.6738 -19.6738 -19.6736 -19.6736 -19.5020 -19.5020 -19.2729 -19.2729 -19.2368 -19.2368 -4.2735 -4.2735 -4.2592 -4.2592 -3.1560 -3.1560 -2.9600 -2.9600 -2.8621 -2.8621 -2.6196 -2.6196 -1.7642 -1.7642 -1.5217 -1.5217 -1.4720 -1.4720 -0.8187 -0.8187 -0.3807 -0.3807 -0.3672 -0.3672 -0.3601 -0.3601 0.0062 0.0062 0.1346 0.1346 0.1666 0.1666 0.2949 0.2949 0.3135 0.3135 2.1586 2.1586 2.2629 2.2629 2.4248 2.4248 5.5330 5.5330 5.5345 5.5345 11.4157 11.4157 12.6609 12.6609 16.4361 16.4361 k = 0.4143 0.2191 0.1503 ( 11770 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5745 -44.5745 -40.1773 -40.1773 -20.0209 -20.0209 -19.6734 -19.6734 -19.6733 -19.6733 -19.4973 -19.4973 -19.2732 -19.2732 -19.2372 -19.2372 -4.2694 -4.2694 -4.2550 -4.2550 -3.1558 -3.1558 -2.9652 -2.9652 -2.8676 -2.8676 -2.6384 -2.6384 -1.7585 -1.7585 -1.5269 -1.5269 -1.4778 -1.4778 -0.7975 -0.7975 -0.3832 -0.3832 -0.3640 -0.3640 -0.3585 -0.3585 0.0085 0.0085 0.1347 0.1347 0.1668 0.1668 0.2999 0.2999 0.3184 0.3184 2.1561 2.1561 2.2605 2.2605 2.4225 2.4225 5.5367 5.5367 5.5381 5.5381 11.3365 11.3365 12.7465 12.7465 16.4267 16.4267 k = 0.4000 0.2115 0.1451 ( 11767 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5745 -44.5745 -40.1773 -40.1773 -20.0258 -20.0258 -19.6729 -19.6729 -19.6728 -19.6728 -19.4919 -19.4919 -19.2736 -19.2736 -19.2377 -19.2377 -4.2646 -4.2646 -4.2502 -4.2502 -3.1557 -3.1557 -2.9712 -2.9712 -2.8739 -2.8739 -2.6594 -2.6594 -1.7525 -1.7525 -1.5333 -1.5333 -1.4849 -1.4849 -0.7730 -0.7730 -0.3867 -0.3867 -0.3598 -0.3598 -0.3554 -0.3554 0.0110 0.0110 0.1349 0.1349 0.1671 0.1671 0.3054 0.3054 0.3238 0.3238 2.1532 2.1532 2.2576 2.2576 2.4199 2.4199 5.5411 5.5411 5.5424 5.5424 11.2547 11.2547 12.8358 12.8358 16.4164 16.4165 k = 0.3857 0.2040 0.1399 ( 11764 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5745 -44.5745 -40.1773 -40.1773 -20.0314 -20.0314 -19.6724 -19.6724 -19.6723 -19.6723 -19.4859 -19.4859 -19.2740 -19.2740 -19.2382 -19.2382 -4.2591 -4.2591 -4.2447 -4.2447 -3.1557 -3.1557 -2.9778 -2.9778 -2.8808 -2.8808 -2.6821 -2.6821 -1.7465 -1.7465 -1.5409 -1.5409 -1.4933 -1.4933 -0.7458 -0.7458 -0.3910 -0.3910 -0.3546 -0.3546 -0.3507 -0.3507 0.0137 0.0137 0.1352 0.1352 0.1676 0.1676 0.3113 0.3113 0.3295 0.3295 2.1498 2.1498 2.2544 2.2544 2.4168 2.4168 5.5461 5.5461 5.5472 5.5472 11.1716 11.1716 12.9276 12.9276 16.4056 16.4056 k = 0.3714 0.1964 0.1347 ( 11761 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5745 -44.5745 -40.1773 -40.1773 -20.0373 -20.0373 -19.6719 -19.6719 -19.6718 -19.6718 -19.4795 -19.4795 -19.2745 -19.2745 -19.2388 -19.2388 -4.2531 -4.2531 -4.2386 -4.2386 -3.1559 -3.1559 -2.9849 -2.9849 -2.8882 -2.8882 -2.7058 -2.7058 -1.7407 -1.7407 -1.5496 -1.5496 -1.5031 -1.5031 -0.7161 -0.7161 -0.3957 -0.3957 -0.3483 -0.3483 -0.3447 -0.3447 0.0166 0.0166 0.1357 0.1357 0.1682 0.1682 0.3174 0.3174 0.3356 0.3356 2.1459 2.1459 2.2507 2.2507 2.4134 2.4134 5.5516 5.5516 5.5526 5.5526 11.0882 11.0882 13.0210 13.0210 16.3944 16.3951 k = 0.3571 0.1889 0.1295 ( 11767 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5745 -44.5745 -40.1773 -40.1773 -20.0437 -20.0437 -19.6713 -19.6713 -19.6712 -19.6712 -19.4726 -19.4726 -19.2750 -19.2750 -19.2395 -19.2395 -4.2465 -4.2465 -4.2319 -4.2319 -3.1564 -3.1564 -2.9925 -2.9925 -2.8961 -2.8961 -2.7303 -2.7303 -1.7353 -1.7353 -1.5596 -1.5596 -1.5145 -1.5145 -0.6845 -0.6845 -0.4005 -0.4005 -0.3407 -0.3407 -0.3372 -0.3372 0.0197 0.0197 0.1364 0.1364 0.1691 0.1691 0.3237 0.3237 0.3417 0.3417 2.1416 2.1416 2.2467 2.2467 2.4096 2.4096 5.5577 5.5577 5.5585 5.5585 11.0050 11.0050 13.1154 13.1154 16.3814 16.3816 k = 0.3429 0.1813 0.1244 ( 11785 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6126 -44.6126 -44.5745 -44.5745 -40.1773 -40.1773 -20.0503 -20.0503 -19.6706 -19.6706 -19.6705 -19.6705 -19.4653 -19.4653 -19.2756 -19.2756 -19.2402 -19.2402 -4.2393 -4.2393 -4.2247 -4.2247 -3.1574 -3.1574 -3.0003 -3.0003 -2.9042 -2.9042 -2.7551 -2.7551 -1.7305 -1.7305 -1.5707 -1.5707 -1.5272 -1.5272 -0.6516 -0.6516 -0.4049 -0.4049 -0.3318 -0.3318 -0.3283 -0.3283 0.0229 0.0229 0.1373 0.1373 0.1701 0.1701 0.3300 0.3300 0.3478 0.3478 2.1369 2.1369 2.2422 2.2422 2.4055 2.4055 5.5642 5.5642 5.5648 5.5648 10.9227 10.9227 13.2103 13.2103 16.3677 16.3679 k = 0.3286 0.1738 0.1192 ( 11764 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6126 -44.6126 -44.5745 -44.5745 -40.1773 -40.1773 -20.0572 -20.0572 -19.6699 -19.6699 -19.6698 -19.6698 -19.4579 -19.4579 -19.2761 -19.2761 -19.2410 -19.2410 -4.2317 -4.2317 -4.2171 -4.2171 -3.1589 -3.1589 -3.0084 -3.0084 -2.9125 -2.9125 -2.7796 -2.7796 -1.7266 -1.7266 -1.5828 -1.5828 -1.5414 -1.5414 -0.6183 -0.6183 -0.4082 -0.4082 -0.3215 -0.3215 -0.3180 -0.3180 0.0261 0.0261 0.1384 0.1384 0.1713 0.1713 0.3361 0.3361 0.3539 0.3539 2.1317 2.1317 2.2374 2.2374 2.4009 2.4009 5.5711 5.5711 5.5715 5.5715 10.8415 10.8415 13.3053 13.3053 16.3541 16.3541 k = 0.3143 0.1662 0.1140 ( 11773 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6126 -44.6126 -44.5745 -44.5745 -40.1773 -40.1773 -20.0642 -20.0642 -19.6692 -19.6692 -19.6691 -19.6691 -19.4502 -19.4502 -19.2767 -19.2767 -19.2418 -19.2418 -4.2237 -4.2237 -4.2091 -4.2091 -3.1610 -3.1610 -3.0165 -3.0165 -2.9209 -2.9209 -2.8036 -2.8036 -1.7237 -1.7237 -1.5955 -1.5955 -1.5570 -1.5570 -0.5859 -0.5859 -0.4095 -0.4095 -0.3099 -0.3099 -0.3063 -0.3063 0.0293 0.0293 0.1398 0.1398 0.1726 0.1726 0.3421 0.3421 0.3597 0.3597 2.1261 2.1261 2.2323 2.2323 2.3961 2.3961 5.5783 5.5783 5.5786 5.5786 10.7618 10.7618 13.4001 13.4001 16.3408 16.3408 k = 0.3000 0.1587 0.1088 ( 11770 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6126 -44.6126 -44.5745 -44.5745 -40.1773 -40.1773 -20.0714 -20.0714 -19.6684 -19.6684 -19.6683 -19.6683 -19.4425 -19.4425 -19.2773 -19.2773 -19.2427 -19.2427 -4.2154 -4.2154 -4.2007 -4.2007 -3.1640 -3.1640 -3.0246 -3.0246 -2.9291 -2.9291 -2.8267 -2.8267 -1.7223 -1.7223 -1.6086 -1.6086 -1.5740 -1.5740 -0.5565 -0.5565 -0.4069 -0.4069 -0.2971 -0.2971 -0.2933 -0.2933 0.0326 0.0326 0.1413 0.1413 0.1742 0.1742 0.3477 0.3477 0.3653 0.3653 2.1201 2.1201 2.2269 2.2269 2.3910 2.3910 5.5859 5.5859 5.5860 5.5860 10.6839 10.6839 13.4944 13.4944 16.3277 16.3277 k = 0.2857 0.1511 0.1036 ( 11770 PWs) bands (ev): -77.9658 -77.9658 -48.5110 -48.5110 -44.6126 -44.6126 -44.5745 -44.5745 -40.1773 -40.1773 -20.0785 -20.0785 -19.6676 -19.6676 -19.6675 -19.6675 -19.4347 -19.4347 -19.2779 -19.2779 -19.2436 -19.2436 -4.2068 -4.2068 -4.1921 -4.1921 -3.1680 -3.1680 -3.0326 -3.0326 -2.9373 -2.9373 -2.8484 -2.8484 -1.7228 -1.7228 -1.6214 -1.6214 -1.5921 -1.5921 -0.5329 -0.5329 -0.3977 -0.3977 -0.2830 -0.2830 -0.2791 -0.2791 0.0359 0.0359 0.1431 0.1431 0.1759 0.1759 0.3530 0.3530 0.3705 0.3705 2.1138 2.1138 2.2211 2.2211 2.3855 2.3855 5.5936 5.5936 5.5937 5.5937 10.6081 10.6081 13.5879 13.5879 16.3149 16.3149 k = 0.2714 0.1435 0.0985 ( 11770 PWs) bands (ev): -77.9658 -77.9658 -48.5110 -48.5110 -44.6126 -44.6126 -44.5745 -44.5745 -40.1773 -40.1773 -20.0856 -20.0856 -19.6668 -19.6668 -19.6667 -19.6667 -19.4270 -19.4270 -19.2785 -19.2785 -19.2445 -19.2445 -4.1979 -4.1979 -4.1832 -4.1832 -3.1730 -3.1730 -3.0404 -3.0404 -2.9452 -2.9452 -2.8684 -2.8684 -1.7260 -1.7260 -1.6330 -1.6330 -1.6113 -1.6113 -0.5177 -0.5177 -0.3798 -0.3798 -0.2678 -0.2678 -0.2638 -0.2638 0.0393 0.0393 0.1450 0.1450 0.1777 0.1777 0.3579 0.3579 0.3753 0.3753 2.1071 2.1071 2.2152 2.2152 2.3799 2.3799 5.6014 5.6014 5.6017 5.6017 10.5345 10.5345 13.6805 13.6805 16.3018 16.3018 k = 0.2571 0.1360 0.0933 ( 11761 PWs) bands (ev): -77.9658 -77.9658 -48.5110 -48.5110 -44.6126 -44.6126 -44.5745 -44.5745 -40.1773 -40.1773 -20.0927 -20.0927 -19.6660 -19.6660 -19.6659 -19.6659 -19.4194 -19.4194 -19.2790 -19.2790 -19.2454 -19.2454 -4.1890 -4.1890 -4.1743 -4.1743 -3.1793 -3.1793 -3.0478 -3.0478 -2.9528 -2.9528 -2.8864 -2.8864 -1.7326 -1.7326 -1.6426 -1.6426 -1.6314 -1.6314 -0.5106 -0.5106 -0.3537 -0.3537 -0.2517 -0.2517 -0.2474 -0.2474 0.0426 0.0426 0.1471 0.1471 0.1797 0.1797 0.3622 0.3622 0.3796 0.3796 2.1000 2.1000 2.2090 2.2090 2.3740 2.3740 5.6093 5.6093 5.6098 5.6098 10.4634 10.4634 13.7719 13.7719 16.2865 16.2865 k = 0.2429 0.1284 0.0881 ( 11779 PWs) bands (ev): -77.9658 -77.9658 -48.5110 -48.5110 -44.6126 -44.6126 -44.5745 -44.5745 -40.1773 -40.1773 -20.0996 -20.0996 -19.6652 -19.6652 -19.6651 -19.6651 -19.4119 -19.4119 -19.2795 -19.2795 -19.2463 -19.2463 -4.1799 -4.1799 -4.1652 -4.1652 -3.1868 -3.1868 -3.0548 -3.0548 -2.9603 -2.9603 -2.9022 -2.9022 -1.7429 -1.7429 -1.6522 -1.6522 -1.6496 -1.6496 -0.5091 -0.5091 -0.3223 -0.3223 -0.2347 -0.2347 -0.2302 -0.2302 0.0461 0.0461 0.1494 0.1494 0.1818 0.1818 0.3661 0.3661 0.3835 0.3835 2.0927 2.0927 2.2026 2.2026 2.3680 2.3680 5.6172 5.6172 5.6179 5.6179 10.3950 10.3950 13.8618 13.8618 16.2617 16.2617 k = 0.2286 0.1209 0.0829 ( 11767 PWs) bands (ev): -77.9658 -77.9658 -48.5110 -48.5110 -44.6126 -44.6126 -44.5745 -44.5745 -40.1773 -40.1773 -20.1063 -20.1063 -19.6643 -19.6643 -19.6642 -19.6642 -19.4047 -19.4047 -19.2800 -19.2800 -19.2472 -19.2472 -4.1709 -4.1709 -4.1563 -4.1563 -3.1955 -3.1955 -3.0614 -3.0614 -2.9674 -2.9674 -2.9156 -2.9156 -1.7566 -1.7566 -1.6736 -1.6736 -1.6542 -1.6542 -0.5109 -0.5109 -0.2882 -0.2882 -0.2172 -0.2172 -0.2122 -0.2122 0.0497 0.0497 0.1519 0.1519 0.1840 0.1840 0.3694 0.3694 0.3868 0.3868 2.0852 2.0852 2.1962 2.1962 2.3618 2.3618 5.6252 5.6252 5.6261 5.6261 10.3294 10.3294 13.9500 13.9500 16.2300 16.2300 k = 0.2143 0.1133 0.0777 ( 11773 PWs) bands (ev): -77.9658 -77.9658 -48.5110 -48.5110 -44.6126 -44.6126 -44.5745 -44.5745 -40.1773 -40.1773 -20.1128 -20.1128 -19.6635 -19.6635 -19.6634 -19.6634 -19.3977 -19.3977 -19.2804 -19.2804 -19.2481 -19.2481 -4.1620 -4.1620 -4.1474 -4.1474 -3.2053 -3.2053 -3.0674 -3.0674 -2.9743 -2.9743 -2.9266 -2.9266 -1.7728 -1.7728 -1.6952 -1.6952 -1.6569 -1.6569 -0.5144 -0.5144 -0.2535 -0.2535 -0.1991 -0.1991 -0.1935 -0.1935 0.0536 0.0536 0.1545 0.1545 0.1862 0.1862 0.3722 0.3722 0.3896 0.3896 2.0774 2.0774 2.1896 2.1896 2.3555 2.3555 5.6331 5.6331 5.6341 5.6341 10.2669 10.2669 14.0361 14.0361 16.1979 16.1979 k = 0.2000 0.1058 0.0725 ( 11778 PWs) bands (ev): -77.9658 -77.9658 -48.5110 -48.5110 -44.6126 -44.6126 -44.5745 -44.5745 -40.1773 -40.1773 -20.1191 -20.1191 -19.6627 -19.6627 -19.6626 -19.6626 -19.3911 -19.3911 -19.2808 -19.2808 -19.2490 -19.2490 -4.1532 -4.1532 -4.1387 -4.1387 -3.2160 -3.2160 -3.0729 -3.0729 -2.9809 -2.9809 -2.9352 -2.9352 -1.7908 -1.7908 -1.7170 -1.7170 -1.6584 -1.6584 -0.5189 -0.5189 -0.2197 -0.2197 -0.1808 -0.1808 -0.1741 -0.1741 0.0578 0.0578 0.1573 0.1573 0.1885 0.1885 0.3743 0.3743 0.3918 0.3918 2.0695 2.0695 2.1831 2.1831 2.3493 2.3493 5.6408 5.6408 5.6420 5.6420 10.2076 10.2076 14.1201 14.1201 16.1670 16.1670 k = 0.1857 0.0982 0.0674 ( 11790 PWs) bands (ev): -77.9658 -77.9658 -48.5110 -48.5110 -44.6126 -44.6126 -44.5745 -44.5745 -40.1773 -40.1773 -20.1251 -20.1251 -19.6619 -19.6619 -19.6618 -19.6618 -19.3849 -19.3849 -19.2811 -19.2811 -19.2499 -19.2499 -4.1447 -4.1447 -4.1303 -4.1303 -3.2274 -3.2274 -3.0778 -3.0778 -2.9871 -2.9871 -2.9418 -2.9418 -1.8098 -1.8098 -1.7386 -1.7386 -1.6591 -1.6591 -0.5237 -0.5237 -0.1880 -0.1880 -0.1625 -0.1625 -0.1537 -0.1537 0.0624 0.0624 0.1602 0.1602 0.1909 0.1909 0.3759 0.3759 0.3934 0.3934 2.0616 2.0616 2.1766 2.1766 2.3431 2.3431 5.6484 5.6484 5.6497 5.6497 10.1516 10.1516 14.2014 14.2014 16.1377 16.1377 k = 0.1714 0.0907 0.0622 ( 11811 PWs) bands (ev): -77.9658 -77.9658 -48.5110 -48.5110 -44.6126 -44.6126 -44.5745 -44.5745 -40.1773 -40.1773 -20.1307 -20.1307 -19.6612 -19.6612 -19.6610 -19.6610 -19.3790 -19.3790 -19.2813 -19.2813 -19.2508 -19.2508 -4.1365 -4.1365 -4.1222 -4.1222 -3.2392 -3.2392 -3.0821 -3.0821 -2.9927 -2.9927 -2.9466 -2.9466 -1.8291 -1.8291 -1.7599 -1.7599 -1.6594 -1.6594 -0.5286 -0.5286 -0.1600 -0.1600 -0.1443 -0.1443 -0.1318 -0.1318 0.0678 0.0678 0.1633 0.1633 0.1933 0.1933 0.3770 0.3770 0.3946 0.3946 2.0537 2.0537 2.1702 2.1702 2.3369 2.3369 5.6557 5.6557 5.6572 5.6572 10.0991 10.0991 14.2797 14.2797 16.1102 16.1102 k = 0.1571 0.0831 0.0570 ( 11823 PWs) bands (ev): -77.9658 -77.9658 -48.5110 -48.5110 -44.6126 -44.6126 -44.5745 -44.5745 -40.1773 -40.1773 -20.1360 -20.1360 -19.6604 -19.6604 -19.6603 -19.6603 -19.3736 -19.3736 -19.2814 -19.2814 -19.2516 -19.2516 -4.1287 -4.1287 -4.1145 -4.1145 -3.2511 -3.2511 -3.0857 -3.0857 -2.9976 -2.9976 -2.9501 -2.9501 -1.8484 -1.8484 -1.7806 -1.7806 -1.6594 -1.6594 -0.5335 -0.5335 -0.1363 -0.1363 -0.1265 -0.1265 -0.1086 -0.1086 0.0741 0.0741 0.1666 0.1666 0.1956 0.1956 0.3775 0.3775 0.3952 0.3952 2.0459 2.0459 2.1641 2.1641 2.3310 2.3310 5.6626 5.6626 5.6642 5.6642 10.0503 10.0503 14.3548 14.3548 16.0846 16.0846 k = 0.1429 0.0756 0.0518 ( 11799 PWs) bands (ev): -77.9658 -77.9658 -48.5110 -48.5110 -44.6126 -44.6126 -44.5745 -44.5745 -40.1773 -40.1773 -20.1409 -20.1409 -19.6597 -19.6597 -19.6596 -19.6596 -19.3687 -19.3687 -19.2815 -19.2815 -19.2523 -19.2523 -4.1214 -4.1214 -4.1072 -4.1072 -3.2628 -3.2628 -3.0888 -3.0888 -3.0019 -3.0019 -2.9525 -2.9525 -1.8672 -1.8672 -1.8004 -1.8004 -1.6594 -1.6594 -0.5382 -0.5382 -0.1162 -0.1162 -0.1093 -0.1093 -0.0856 -0.0856 0.0815 0.0815 0.1700 0.1700 0.1980 0.1980 0.3775 0.3775 0.3954 0.3954 2.0383 2.0383 2.1581 2.1581 2.3252 2.3252 5.6692 5.6692 5.6709 5.6709 10.0052 10.0052 14.4260 14.4260 16.0611 16.0611 k = 0.1286 0.0680 0.0466 ( 11817 PWs) bands (ev): -77.9658 -77.9658 -48.5110 -48.5110 -44.6126 -44.6126 -44.5745 -44.5745 -40.1773 -40.1773 -20.1454 -20.1454 -19.6591 -19.6591 -19.6590 -19.6590 -19.3642 -19.3642 -19.2814 -19.2814 -19.2531 -19.2531 -4.1145 -4.1145 -4.1005 -4.1005 -3.2740 -3.2740 -3.0914 -3.0914 -3.0055 -3.0055 -2.9541 -2.9541 -1.8853 -1.8853 -1.8192 -1.8192 -1.6592 -1.6592 -0.5426 -0.5426 -0.0985 -0.0985 -0.0929 -0.0929 -0.0648 -0.0648 0.0902 0.0902 0.1736 0.1736 0.2003 0.2003 0.3770 0.3770 0.3951 0.3951 2.0310 2.0310 2.1525 2.1525 2.3198 2.3198 5.6753 5.6753 5.6772 5.6772 9.9640 9.9640 14.4931 14.4931 16.0396 16.0396 k = 0.1143 0.0604 0.0415 ( 11805 PWs) bands (ev): -77.9658 -77.9658 -48.5110 -48.5110 -44.6126 -44.6126 -44.5745 -44.5745 -40.1773 -40.1773 -20.1495 -20.1495 -19.6585 -19.6585 -19.6584 -19.6584 -19.3603 -19.3603 -19.2813 -19.2813 -19.2537 -19.2537 -4.1083 -4.1083 -4.0944 -4.0944 -3.2846 -3.2846 -3.0934 -3.0934 -3.0084 -3.0084 -2.9550 -2.9550 -1.9023 -1.9023 -1.8368 -1.8368 -1.6591 -1.6591 -0.5466 -0.5466 -0.0825 -0.0825 -0.0775 -0.0775 -0.0472 -0.0472 0.1001 0.1001 0.1775 0.1775 0.2025 0.2025 0.3762 0.3762 0.3945 0.3945 2.0240 2.0240 2.1472 2.1472 2.3147 2.3147 5.6809 5.6809 5.6829 5.6829 9.9269 9.9269 14.5553 14.5553 16.0203 16.0203 k = 0.1000 0.0529 0.0363 ( 11805 PWs) bands (ev): -77.9658 -77.9658 -48.5110 -48.5110 -44.6126 -44.6126 -44.5745 -44.5745 -40.1773 -40.1773 -20.1531 -20.1531 -19.6579 -19.6579 -19.6578 -19.6578 -19.3568 -19.3568 -19.2811 -19.2811 -19.2543 -19.2543 -4.1026 -4.1026 -4.0888 -4.0888 -3.2944 -3.2944 -3.0950 -3.0950 -3.0107 -3.0107 -2.9555 -2.9555 -1.9179 -1.9179 -1.8528 -1.8528 -1.6589 -1.6589 -0.5502 -0.5502 -0.0682 -0.0682 -0.0633 -0.0633 -0.0331 -0.0331 0.1108 0.1108 0.1815 0.1815 0.2047 0.2047 0.3751 0.3751 0.3936 0.3936 2.0176 2.0176 2.1424 2.1424 2.3100 2.3100 5.6860 5.6860 5.6881 5.6881 9.8938 9.8938 14.6123 14.6123 16.0031 16.0031 k = 0.0857 0.0453 0.0311 ( 11802 PWs) bands (ev): -77.9658 -77.9658 -48.5110 -48.5110 -44.6126 -44.6126 -44.5745 -44.5745 -40.1773 -40.1773 -20.1563 -20.1563 -19.6575 -19.6575 -19.6573 -19.6573 -19.3538 -19.3538 -19.2809 -19.2809 -19.2548 -19.2548 -4.0977 -4.0977 -4.0840 -4.0840 -3.3031 -3.3031 -3.0961 -3.0961 -3.0125 -3.0125 -2.9557 -2.9557 -1.9320 -1.9320 -1.8672 -1.8672 -1.6588 -1.6588 -0.5534 -0.5534 -0.0555 -0.0555 -0.0506 -0.0506 -0.0223 -0.0223 0.1217 0.1217 0.1857 0.1857 0.2067 0.2067 0.3738 0.3738 0.3925 0.3925 2.0117 2.0117 2.1381 2.1381 2.3059 2.3059 5.6905 5.6905 5.6927 5.6927 9.8650 9.8650 14.6633 14.6633 15.9882 15.9882 k = 0.0714 0.0378 0.0259 ( 11778 PWs) bands (ev): -77.9658 -77.9658 -48.5110 -48.5110 -44.6126 -44.6126 -44.5745 -44.5745 -40.1773 -40.1773 -20.1590 -20.1590 -19.6570 -19.6570 -19.6569 -19.6569 -19.3514 -19.3514 -19.2807 -19.2807 -19.2553 -19.2553 -4.0934 -4.0934 -4.0798 -4.0798 -3.3107 -3.3107 -3.0970 -3.0970 -3.0139 -3.0139 -2.9557 -2.9557 -1.9444 -1.9444 -1.8797 -1.8797 -1.6588 -1.6588 -0.5562 -0.5562 -0.0446 -0.0446 -0.0394 -0.0394 -0.0142 -0.0142 0.1318 0.1318 0.1900 0.1900 0.2085 0.2085 0.3723 0.3723 0.3914 0.3914 2.0066 2.0066 2.1344 2.1344 2.3022 2.3022 5.6944 5.6944 5.6966 5.6966 9.8405 9.8405 14.7079 14.7079 15.9756 15.9756 k = 0.0571 0.0302 0.0207 ( 11784 PWs) bands (ev): -77.9658 -77.9658 -48.5110 -48.5110 -44.6126 -44.6126 -44.5745 -44.5745 -40.1773 -40.1773 -20.1613 -20.1613 -19.6567 -19.6567 -19.6566 -19.6566 -19.3494 -19.3494 -19.2804 -19.2804 -19.2557 -19.2557 -4.0898 -4.0898 -4.0764 -4.0764 -3.3170 -3.3170 -3.0976 -3.0976 -3.0149 -3.0149 -2.9556 -2.9556 -1.9547 -1.9547 -1.8902 -1.8902 -1.6587 -1.6587 -0.5585 -0.5585 -0.0354 -0.0354 -0.0301 -0.0301 -0.0084 -0.0084 0.1407 0.1407 0.1943 0.1943 0.2101 0.2101 0.3709 0.3709 0.3902 0.3902 2.0022 2.0022 2.1312 2.1312 2.2992 2.2992 5.6977 5.6977 5.6999 5.6999 9.8203 9.8203 14.7454 14.7454 15.9652 15.9652 k = 0.0429 0.0227 0.0155 ( 11784 PWs) bands (ev): -77.9658 -77.9658 -48.5110 -48.5110 -44.6126 -44.6126 -44.5745 -44.5745 -40.1773 -40.1773 -20.1630 -20.1630 -19.6564 -19.6564 -19.6563 -19.6563 -19.3479 -19.3479 -19.2802 -19.2802 -19.2560 -19.2560 -4.0871 -4.0871 -4.0737 -4.0737 -3.3220 -3.3220 -3.0980 -3.0980 -3.0155 -3.0155 -2.9555 -2.9555 -1.9630 -1.9630 -1.8985 -1.8985 -1.6587 -1.6587 -0.5603 -0.5603 -0.0282 -0.0282 -0.0226 -0.0226 -0.0044 -0.0044 0.1477 0.1477 0.1983 0.1983 0.2114 0.2114 0.3697 0.3697 0.3892 0.3892 1.9988 1.9988 2.1287 2.1287 2.2968 2.2968 5.7002 5.7002 5.7025 5.7025 9.8045 9.8045 14.7752 14.7752 15.9571 15.9571 k = 0.0286 0.0151 0.0104 ( 11781 PWs) bands (ev): -77.9658 -77.9658 -48.5110 -48.5110 -44.6126 -44.6126 -44.5745 -44.5745 -40.1773 -40.1773 -20.1643 -20.1643 -19.6562 -19.6562 -19.6561 -19.6561 -19.3468 -19.3468 -19.2801 -19.2801 -19.2562 -19.2562 -4.0851 -4.0851 -4.0717 -4.0717 -3.3256 -3.3256 -3.0982 -3.0982 -3.0160 -3.0160 -2.9553 -2.9553 -1.9689 -1.9689 -1.9045 -1.9045 -1.6586 -1.6586 -0.5615 -0.5615 -0.0229 -0.0229 -0.0172 -0.0172 -0.0017 -0.0017 0.1527 0.1527 0.2016 0.2016 0.2124 0.2124 0.3687 0.3687 0.3884 0.3884 1.9962 1.9962 2.1269 2.1269 2.2950 2.2950 5.7020 5.7020 5.7043 5.7043 9.7932 9.7932 14.7969 14.7969 15.9514 15.9514 k = 0.0143 0.0076 0.0052 ( 11763 PWs) bands (ev): -77.9658 -77.9658 -48.5110 -48.5110 -44.6126 -44.6126 -44.5745 -44.5745 -40.1773 -40.1773 -20.1650 -20.1650 -19.6561 -19.6561 -19.6560 -19.6560 -19.3461 -19.3461 -19.2799 -19.2799 -19.2563 -19.2563 -4.0838 -4.0838 -4.0706 -4.0706 -3.3278 -3.3278 -3.0983 -3.0983 -3.0162 -3.0162 -2.9552 -2.9552 -1.9726 -1.9726 -1.9081 -1.9081 -1.6586 -1.6586 -0.5623 -0.5623 -0.0197 -0.0197 -0.0140 -0.0140 -0.0003 -0.0003 0.1556 0.1556 0.2037 0.2037 0.2130 0.2130 0.3681 0.3681 0.3879 0.3879 1.9947 1.9947 2.1258 2.1258 2.2939 2.2939 5.7031 5.7031 5.7055 5.7055 9.7865 9.7865 14.8100 14.8100 15.9479 15.9479 k = 0.0000 0.0000 0.0000 ( 11739 PWs) bands (ev): -77.9658 -77.9658 -48.5110 -48.5110 -44.6126 -44.6126 -44.5745 -44.5745 -40.1773 -40.1773 -20.1653 -20.1653 -19.6561 -19.6561 -19.6560 -19.6560 -19.3459 -19.3459 -19.2799 -19.2799 -19.2563 -19.2563 -4.0834 -4.0834 -4.0702 -4.0702 -3.3285 -3.3285 -3.0983 -3.0983 -3.0163 -3.0163 -2.9552 -2.9552 -1.9738 -1.9738 -1.9093 -1.9093 -1.6586 -1.6586 -0.5626 -0.5626 -0.0186 -0.0186 -0.0129 -0.0129 0.0002 0.0002 0.1566 0.1566 0.2045 0.2045 0.2132 0.2132 0.3679 0.3679 0.3877 0.3877 1.9942 1.9942 2.1255 2.1255 2.2936 2.2936 5.7035 5.7035 5.7058 5.7058 9.7842 9.7842 14.8145 14.8145 15.9467 15.9467 k = 0.0000 0.0000 0.0000 ( 11739 PWs) bands (ev): -77.9658 -77.9658 -48.5110 -48.5110 -44.6126 -44.6126 -44.5745 -44.5745 -40.1773 -40.1773 -20.1653 -20.1653 -19.6561 -19.6561 -19.6560 -19.6560 -19.3459 -19.3459 -19.2799 -19.2799 -19.2563 -19.2563 -4.0834 -4.0834 -4.0702 -4.0702 -3.3285 -3.3285 -3.0983 -3.0983 -3.0163 -3.0163 -2.9552 -2.9552 -1.9738 -1.9738 -1.9093 -1.9093 -1.6586 -1.6586 -0.5626 -0.5626 -0.0186 -0.0186 -0.0129 -0.0129 0.0002 0.0002 0.1566 0.1566 0.2045 0.2045 0.2132 0.2132 0.3679 0.3679 0.3877 0.3877 1.9942 1.9942 2.1255 2.1255 2.2936 2.2936 5.7035 5.7035 5.7058 5.7058 9.7842 9.7842 14.8145 14.8145 15.9467 15.9467 k = 0.0078-0.0053-0.0138 ( 11757 PWs) bands (ev): -77.9658 -77.9658 -48.5110 -48.5110 -44.6126 -44.6126 -44.5745 -44.5745 -40.1773 -40.1773 -20.1650 -20.1650 -19.6562 -19.6562 -19.6560 -19.6560 -19.3459 -19.3459 -19.2800 -19.2800 -19.2565 -19.2565 -4.0836 -4.0836 -4.0704 -4.0704 -3.3281 -3.3281 -3.0985 -3.0985 -3.0165 -3.0165 -2.9552 -2.9552 -1.9731 -1.9731 -1.9086 -1.9086 -1.6579 -1.6579 -0.5621 -0.5621 -0.0216 -0.0216 -0.0149 -0.0149 0.0044 0.0044 0.1558 0.1558 0.2033 0.2033 0.2118 0.2118 0.3685 0.3685 0.3882 0.3882 1.9946 1.9946 2.1255 2.1255 2.2937 2.2937 5.7032 5.7032 5.7056 5.7056 9.7864 9.7864 14.8166 14.8166 15.9444 15.9444 k = 0.0156-0.0107-0.0276 ( 11763 PWs) bands (ev): -77.9658 -77.9658 -48.5110 -48.5110 -44.6126 -44.6126 -44.5745 -44.5745 -40.1773 -40.1773 -20.1643 -20.1643 -19.6565 -19.6565 -19.6561 -19.6561 -19.3457 -19.3457 -19.2802 -19.2802 -19.2568 -19.2568 -4.0842 -4.0842 -4.0711 -4.0711 -3.3270 -3.3270 -3.0990 -3.0990 -3.0172 -3.0172 -2.9551 -2.9551 -1.9711 -1.9711 -1.9066 -1.9066 -1.6557 -1.6557 -0.5609 -0.5609 -0.0295 -0.0295 -0.0165 -0.0165 0.0118 0.0118 0.1535 0.1535 0.1997 0.1997 0.2080 0.2080 0.3702 0.3702 0.3896 0.3896 1.9960 1.9960 2.1257 2.1257 2.2940 2.2940 5.7024 5.7024 5.7048 5.7048 9.7932 9.7932 14.8228 14.8228 15.9370 15.9370 k = 0.0235-0.0160-0.0414 ( 11763 PWs) bands (ev): -77.9658 -77.9658 -48.5110 -48.5110 -44.6126 -44.6126 -44.5745 -44.5745 -40.1773 -40.1773 -20.1630 -20.1630 -19.6571 -19.6571 -19.6562 -19.6562 -19.3455 -19.3455 -19.2805 -19.2805 -19.2574 -19.2574 -4.0852 -4.0852 -4.0723 -4.0723 -3.3250 -3.3250 -3.0999 -3.0999 -3.0183 -3.0183 -2.9548 -2.9548 -1.9679 -1.9679 -1.9030 -1.9030 -1.6522 -1.6522 -0.5589 -0.5589 -0.0392 -0.0392 -0.0181 -0.0181 0.0190 0.0190 0.1494 0.1494 0.1934 0.1934 0.2030 0.2030 0.3727 0.3727 0.3918 0.3918 1.9982 1.9982 2.1260 2.1260 2.2946 2.2946 5.7009 5.7009 5.7037 5.7037 9.8044 9.8044 14.8333 14.8333 15.9238 15.9238 k = 0.0313-0.0213-0.0552 ( 11767 PWs) bands (ev): -77.9658 -77.9658 -48.5110 -48.5110 -44.6126 -44.6126 -44.5745 -44.5745 -40.1773 -40.1773 -20.1613 -20.1613 -19.6579 -19.6579 -19.6564 -19.6564 -19.3451 -19.3451 -19.2810 -19.2810 -19.2581 -19.2581 -4.0866 -4.0866 -4.0739 -4.0739 -3.3223 -3.3223 -3.1011 -3.1011 -3.0198 -3.0198 -2.9543 -2.9543 -1.9637 -1.9637 -1.8981 -1.8981 -1.6472 -1.6472 -0.5560 -0.5560 -0.0495 -0.0495 -0.0201 -0.0201 0.0252 0.0252 0.1434 0.1434 0.1850 0.1850 0.1974 0.1974 0.3758 0.3758 0.3945 0.3945 2.0012 2.0012 2.1263 2.1263 2.2955 2.2955 5.6988 5.6988 5.7022 5.7022 9.8200 9.8200 14.8479 14.8479 15.9038 15.9038 k = 0.0391-0.0266-0.0690 ( 11777 PWs) bands (ev): -77.9658 -77.9658 -48.5110 -48.5110 -44.6126 -44.6126 -44.5745 -44.5745 -40.1773 -40.1773 -20.1591 -20.1591 -19.6589 -19.6589 -19.6566 -19.6566 -19.3448 -19.3448 -19.2816 -19.2816 -19.2591 -19.2591 -4.0884 -4.0884 -4.0759 -4.0759 -3.3189 -3.3189 -3.1028 -3.1028 -3.0219 -3.0219 -2.9532 -2.9532 -1.9588 -1.9588 -1.8916 -1.8916 -1.6408 -1.6408 -0.5524 -0.5524 -0.0603 -0.0603 -0.0229 -0.0229 0.0295 0.0295 0.1357 0.1357 0.1758 0.1758 0.1912 0.1912 0.3792 0.3792 0.3975 0.3975 2.0050 2.0050 2.1268 2.1268 2.2966 2.2966 5.6960 5.6960 5.7005 5.7005 9.8400 9.8400 14.8665 14.8665 15.8759 15.8759 k = 0.0469-0.0320-0.0828 ( 11765 PWs) bands (ev): -77.9658 -77.9658 -48.5110 -48.5110 -44.6126 -44.6126 -44.5745 -44.5745 -40.1773 -40.1773 -20.1564 -20.1564 -19.6601 -19.6601 -19.6569 -19.6569 -19.3444 -19.3444 -19.2824 -19.2824 -19.2602 -19.2602 -4.0907 -4.0907 -4.0784 -4.0784 -3.3147 -3.3147 -3.1048 -3.1048 -3.0243 -3.0243 -2.9514 -2.9514 -1.9533 -1.9533 -1.8837 -1.8837 -1.6331 -1.6331 -0.5481 -0.5481 -0.0714 -0.0714 -0.0265 -0.0265 0.0308 0.0308 0.1268 0.1268 0.1671 0.1671 0.1847 0.1847 0.3827 0.3827 0.4007 0.4007 2.0094 2.0094 2.1272 2.1272 2.2980 2.2980 5.6925 5.6925 5.6984 5.6984 9.8644 9.8644 14.8891 14.8891 15.8399 15.8399 k = 0.0547-0.0373-0.0966 ( 11755 PWs) bands (ev): -77.9658 -77.9658 -48.5110 -48.5110 -44.6126 -44.6126 -44.5745 -44.5745 -40.1773 -40.1773 -20.1533 -20.1533 -19.6615 -19.6615 -19.6572 -19.6572 -19.3441 -19.3441 -19.2833 -19.2833 -19.2613 -19.2613 -4.0934 -4.0934 -4.0812 -4.0812 -3.3098 -3.3098 -3.1071 -3.1071 -3.0272 -3.0272 -2.9486 -2.9486 -1.9475 -1.9475 -1.8745 -1.8745 -1.6240 -1.6240 -0.5431 -0.5431 -0.0828 -0.0828 -0.0314 -0.0314 0.0280 0.0280 0.1179 0.1179 0.1592 0.1592 0.1781 0.1781 0.3860 0.3860 0.4037 0.4037 2.0144 2.0144 2.1278 2.1278 2.2997 2.2997 5.6884 5.6884 5.6961 5.6961 9.8931 9.8931 14.9157 14.9157 15.7959 15.7959 k = 0.0626-0.0426-0.1104 ( 11755 PWs) bands (ev): -77.9658 -77.9658 -48.5110 -48.5110 -44.6126 -44.6126 -44.5745 -44.5745 -40.1773 -40.1773 -20.1497 -20.1497 -19.6630 -19.6630 -19.6576 -19.6576 -19.3438 -19.3438 -19.2844 -19.2844 -19.2625 -19.2625 -4.0966 -4.0966 -4.0844 -4.0844 -3.3042 -3.3042 -3.1099 -3.1099 -3.0304 -3.0304 -2.9449 -2.9449 -1.9414 -1.9414 -1.8641 -1.8641 -1.6136 -1.6136 -0.5375 -0.5375 -0.0946 -0.0946 -0.0382 -0.0382 0.0206 0.0206 0.1101 0.1101 0.1520 0.1520 0.1724 0.1724 0.3889 0.3889 0.4066 0.4066 2.0199 2.0199 2.1284 2.1284 2.3017 2.3017 5.6838 5.6838 5.6934 5.6934 9.9260 9.9260 14.9460 14.9460 15.7446 15.7446 k = 0.0704-0.0479-0.1242 ( 11753 PWs) bands (ev): -77.9658 -77.9658 -48.5110 -48.5110 -44.6126 -44.6126 -44.5745 -44.5745 -40.1773 -40.1773 -20.1456 -20.1456 -19.6646 -19.6646 -19.6581 -19.6581 -19.3437 -19.3437 -19.2857 -19.2857 -19.2637 -19.2637 -4.1003 -4.1003 -4.0880 -4.0880 -3.2979 -3.2979 -3.1129 -3.1129 -3.0338 -3.0338 -2.9400 -2.9400 -1.9351 -1.9351 -1.8527 -1.8527 -1.6021 -1.6021 -0.5314 -0.5314 -0.1068 -0.1068 -0.0481 -0.0481 0.0100 0.0100 0.1031 0.1031 0.1451 0.1451 0.1688 0.1688 0.3915 0.3915 0.4092 0.4092 2.0258 2.0258 2.1290 2.1290 2.3040 2.3040 5.6788 5.6788 5.6904 5.6904 9.9631 9.9631 14.9800 14.9800 15.6871 15.6871 k = 0.0782-0.0533-0.1380 ( 11753 PWs) bands (ev): -77.9658 -77.9658 -48.5110 -48.5110 -44.6126 -44.6126 -44.5745 -44.5745 -40.1773 -40.1773 -20.1412 -20.1412 -19.6664 -19.6664 -19.6586 -19.6586 -19.3437 -19.3437 -19.2872 -19.2872 -19.2647 -19.2647 -4.1046 -4.1046 -4.0919 -4.0919 -3.2911 -3.2911 -3.1161 -3.1161 -3.0373 -3.0373 -2.9339 -2.9339 -1.9287 -1.9287 -1.8406 -1.8406 -1.5895 -1.5895 -0.5249 -0.5249 -0.1195 -0.1195 -0.0624 -0.0624 -0.0012 -0.0012 0.0958 0.0958 0.1376 0.1376 0.1681 0.1681 0.3934 0.3934 0.4116 0.4116 2.0319 2.0319 2.1296 2.1296 2.3067 2.3067 5.6733 5.6733 5.6870 5.6870 10.0042 10.0042 15.0175 15.0175 15.6244 15.6244 k = 0.0860-0.0586-0.1518 ( 11757 PWs) bands (ev): -77.9658 -77.9658 -48.5110 -48.5110 -44.6126 -44.6126 -44.5745 -44.5745 -40.1773 -40.1773 -20.1363 -20.1363 -19.6683 -19.6683 -19.6592 -19.6592 -19.3440 -19.3440 -19.2889 -19.2889 -19.2657 -19.2657 -4.1093 -4.1093 -4.0961 -4.0961 -3.2836 -3.2836 -3.1195 -3.1195 -3.0408 -3.0408 -2.9266 -2.9266 -1.9222 -1.9222 -1.8280 -1.8280 -1.5759 -1.5759 -0.5181 -0.5181 -0.1326 -0.1326 -0.0815 -0.0815 -0.0110 -0.0110 0.0874 0.0874 0.1295 0.1295 0.1706 0.1706 0.3947 0.3947 0.4137 0.4137 2.0381 2.0381 2.1304 2.1304 2.3097 2.3097 5.6674 5.6674 5.6834 5.6834 10.0493 10.0493 15.0583 15.0583 15.5575 15.5575 k = 0.0939-0.0639-0.1656 ( 11763 PWs) bands (ev): -77.9658 -77.9658 -48.5110 -48.5110 -44.6126 -44.6126 -44.5746 -44.5746 -40.1773 -40.1773 -20.1309 -20.1309 -19.6702 -19.6702 -19.6598 -19.6598 -19.3446 -19.3446 -19.2908 -19.2908 -19.2665 -19.2665 -4.1145 -4.1145 -4.1005 -4.1005 -3.2756 -3.2756 -3.1229 -3.1229 -3.0441 -3.0441 -2.9182 -2.9182 -1.9155 -1.9155 -1.8151 -1.8151 -1.5616 -1.5616 -0.5113 -0.5113 -0.1465 -0.1465 -0.1043 -0.1043 -0.0192 -0.0192 0.0778 0.0778 0.1210 0.1210 0.1754 0.1754 0.3953 0.3953 0.4156 0.4156 2.0443 2.0443 2.1313 2.1313 2.3130 2.3130 5.6612 5.6612 5.6795 5.6795 10.0983 10.0983 15.1020 15.1020 15.4874 15.4874 k = 0.1017-0.0692-0.1794 ( 11755 PWs) bands (ev): -77.9658 -77.9658 -48.5110 -48.5110 -44.6126 -44.6126 -44.5746 -44.5746 -40.1773 -40.1773 -20.1253 -20.1253 -19.6722 -19.6722 -19.6605 -19.6605 -19.3455 -19.3455 -19.2928 -19.2928 -19.2670 -19.2670 -4.1201 -4.1201 -4.1053 -4.1053 -3.2671 -3.2671 -3.1262 -3.1262 -3.0472 -3.0472 -2.9087 -2.9087 -1.9087 -1.9087 -1.8021 -1.8021 -1.5468 -1.5468 -0.5046 -0.5046 -0.1615 -0.1615 -0.1287 -0.1287 -0.0263 -0.0263 0.0670 0.0670 0.1125 0.1125 0.1818 0.1818 0.3951 0.3951 0.4172 0.4172 2.0504 2.0504 2.1323 2.1323 2.3166 2.3166 5.6548 5.6548 5.6753 5.6753 10.1511 10.1511 15.1481 15.1481 15.4150 15.4150 k = 0.1095-0.0746-0.1932 ( 11767 PWs) bands (ev): -77.9658 -77.9658 -48.5110 -48.5110 -44.6126 -44.6126 -44.5746 -44.5746 -40.1773 -40.1773 -20.1192 -20.1192 -19.6742 -19.6742 -19.6613 -19.6613 -19.3468 -19.3468 -19.2950 -19.2950 -19.2674 -19.2674 -4.1261 -4.1261 -4.1104 -4.1104 -3.2581 -3.2581 -3.1293 -3.1293 -3.0499 -3.0499 -2.8981 -2.8981 -1.9018 -1.9018 -1.7892 -1.7892 -1.5316 -1.5316 -0.4984 -0.4984 -0.1789 -0.1789 -0.1522 -0.1522 -0.0328 -0.0328 0.0552 0.0552 0.1041 0.1041 0.1892 0.1892 0.3942 0.3942 0.4185 0.4185 2.0563 2.0563 2.1337 2.1337 2.3205 2.3205 5.6483 5.6483 5.6708 5.6708 10.2075 10.2075 15.1952 15.1952 15.3421 15.3421 k = 0.1173-0.0799-0.2070 ( 11761 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6126 -44.6126 -44.5746 -44.5746 -40.1773 -40.1773 -20.1128 -20.1128 -19.6762 -19.6762 -19.6621 -19.6621 -19.3485 -19.3485 -19.2972 -19.2972 -19.2676 -19.2676 -4.1324 -4.1324 -4.1157 -4.1157 -3.2489 -3.2489 -3.1322 -3.1322 -3.0522 -3.0522 -2.8865 -2.8865 -1.8948 -1.8948 -1.7766 -1.7766 -1.5162 -1.5162 -0.4931 -0.4931 -0.1998 -0.1998 -0.1723 -0.1723 -0.0393 -0.0393 0.0425 0.0425 0.0961 0.0961 0.1972 0.1972 0.3927 0.3927 0.4194 0.4194 2.0617 2.0617 2.1354 2.1354 2.3246 2.3246 5.6416 5.6416 5.6661 5.6661 10.2675 10.2675 15.2283 15.2283 15.2830 15.2830 k = 0.1251-0.0852-0.2207 ( 11761 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6126 -44.6126 -44.5746 -44.5746 -40.1773 -40.1773 -20.1061 -20.1061 -19.6783 -19.6783 -19.6630 -19.6630 -19.3506 -19.3506 -19.2995 -19.2995 -19.2676 -19.2676 -4.1390 -4.1390 -4.1213 -4.1213 -3.2394 -3.2394 -3.1345 -3.1345 -3.0538 -3.0538 -2.8741 -2.8741 -1.8876 -1.8876 -1.7642 -1.7642 -1.5010 -1.5010 -0.4893 -0.4893 -0.2233 -0.2233 -0.1888 -0.1888 -0.0459 -0.0459 0.0292 0.0292 0.0885 0.0885 0.2054 0.2054 0.3906 0.3906 0.4199 0.4199 2.0666 2.0666 2.1377 2.1377 2.3289 2.3289 5.6349 5.6349 5.6611 5.6611 10.3309 10.3309 15.1763 15.1763 15.3074 15.3074 k = 0.1330-0.0905-0.2345 ( 11769 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6126 -44.6126 -44.5746 -44.5746 -40.1773 -40.1773 -20.0991 -20.0991 -19.6802 -19.6802 -19.6640 -19.6640 -19.3532 -19.3532 -19.3019 -19.3019 -19.2674 -19.2674 -4.1458 -4.1458 -4.1273 -4.1273 -3.2298 -3.2298 -3.1363 -3.1363 -3.0549 -3.0549 -2.8609 -2.8609 -1.8804 -1.8804 -1.7522 -1.7522 -1.4861 -1.4861 -0.4877 -0.4877 -0.2467 -0.2467 -0.2033 -0.2033 -0.0528 -0.0528 0.0152 0.0152 0.0816 0.0816 0.2137 0.2137 0.3879 0.3879 0.4201 0.4201 2.0708 2.0708 2.1406 2.1406 2.3334 2.3334 5.6282 5.6282 5.6559 5.6559 10.3975 10.3975 15.1005 15.1005 15.3470 15.3470 k = 0.1408-0.0959-0.2483 ( 11769 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6126 -44.6126 -44.5746 -44.5746 -40.1773 -40.1773 -20.0918 -20.0918 -19.6822 -19.6822 -19.6651 -19.6651 -19.3561 -19.3561 -19.3043 -19.3043 -19.2670 -19.2670 -4.1526 -4.1526 -4.1334 -4.1334 -3.2204 -3.2204 -3.1371 -3.1371 -3.0553 -3.0553 -2.8471 -2.8471 -1.8731 -1.8731 -1.7407 -1.7407 -1.4717 -1.4717 -0.4892 -0.4892 -0.2682 -0.2682 -0.2162 -0.2162 -0.0603 -0.0603 0.0008 0.0008 0.0752 0.0752 0.2218 0.2218 0.3849 0.3849 0.4198 0.4198 2.0743 2.0743 2.1442 2.1442 2.3380 2.3380 5.6217 5.6217 5.6505 5.6505 10.4673 10.4673 15.0223 15.0223 15.3536 15.3536 k = 0.1486-0.1012-0.2621 ( 11771 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6126 -44.6126 -44.5746 -44.5746 -40.1773 -40.1773 -20.0843 -20.0843 -19.6841 -19.6841 -19.6663 -19.6663 -19.3593 -19.3593 -19.3067 -19.3067 -19.2666 -19.2666 -4.1595 -4.1595 -4.1399 -4.1399 -3.2114 -3.2114 -3.1368 -3.1368 -3.0549 -3.0549 -2.8329 -2.8329 -1.8657 -1.8657 -1.7297 -1.7297 -1.4580 -1.4580 -0.4944 -0.4944 -0.2869 -0.2869 -0.2275 -0.2275 -0.0683 -0.0683 -0.0140 -0.0140 0.0696 0.0696 0.2296 0.2296 0.3816 0.3816 0.4191 0.4191 2.0771 2.0771 2.1486 2.1486 2.3427 2.3427 5.6153 5.6153 5.6449 5.6449 10.5401 10.5401 14.9434 14.9434 15.3126 15.3126 k = 0.1564-0.1065-0.2759 ( 11765 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6126 -44.6126 -44.5746 -44.5746 -40.1773 -40.1773 -20.0765 -20.0765 -19.6859 -19.6859 -19.6675 -19.6675 -19.3628 -19.3628 -19.3091 -19.3091 -19.2660 -19.2660 -4.1664 -4.1664 -4.1466 -4.1466 -3.2031 -3.2031 -3.1351 -3.1351 -3.0538 -3.0538 -2.8183 -2.8183 -1.8584 -1.8584 -1.7192 -1.7192 -1.4451 -1.4451 -0.5036 -0.5036 -0.3030 -0.3030 -0.2365 -0.2365 -0.0769 -0.0769 -0.0291 -0.0291 0.0646 0.0646 0.2370 0.2370 0.3781 0.3781 0.4180 0.4180 2.0792 2.0792 2.1536 2.1536 2.3475 2.3475 5.6091 5.6091 5.6392 5.6392 10.6158 10.6158 14.8645 14.8645 15.2542 15.2542 k = 0.1642-0.1119-0.2897 ( 11757 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6126 -44.6126 -44.5746 -44.5746 -40.1773 -40.1773 -20.0685 -20.0685 -19.6876 -19.6876 -19.6688 -19.6688 -19.3665 -19.3665 -19.3115 -19.3115 -19.2655 -19.2655 -4.1731 -4.1731 -4.1535 -4.1535 -3.1959 -3.1959 -3.1315 -3.1315 -3.0519 -3.0519 -2.8037 -2.8037 -1.8511 -1.8511 -1.7093 -1.7093 -1.4331 -1.4331 -0.5164 -0.5164 -0.3175 -0.3175 -0.2424 -0.2424 -0.0862 -0.0862 -0.0446 -0.0446 0.0605 0.0605 0.2439 0.2439 0.3746 0.3746 0.4165 0.4165 2.0808 2.0808 2.1592 2.1592 2.3522 2.3522 5.6033 5.6033 5.6333 5.6333 10.6942 10.6942 14.7858 14.7858 15.1909 15.1909 k = 0.1721-0.1172-0.3035 ( 11763 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6126 -44.6126 -44.5746 -44.5746 -40.1773 -40.1773 -20.0604 -20.0604 -19.6893 -19.6893 -19.6702 -19.6702 -19.3703 -19.3703 -19.3140 -19.3140 -19.2649 -19.2649 -4.1797 -4.1797 -4.1607 -4.1607 -3.1900 -3.1900 -3.1261 -3.1261 -3.0491 -3.0491 -2.7892 -2.7892 -1.8439 -1.8439 -1.6999 -1.6999 -1.4221 -1.4221 -0.5320 -0.5320 -0.3314 -0.3314 -0.2447 -0.2447 -0.0962 -0.0962 -0.0602 -0.0602 0.0570 0.0570 0.2502 0.2502 0.3712 0.3712 0.4145 0.4145 2.0820 2.0820 2.1652 2.1652 2.3568 2.3568 5.5977 5.5977 5.6272 5.6272 10.7752 10.7752 14.7076 14.7076 15.1259 15.1259 k = 0.1799-0.1225-0.3173 ( 11751 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6126 -44.6126 -44.5746 -44.5746 -40.1773 -40.1773 -20.0522 -20.0522 -19.6909 -19.6909 -19.6717 -19.6717 -19.3743 -19.3743 -19.3165 -19.3165 -19.2644 -19.2644 -4.1860 -4.1860 -4.1680 -4.1680 -3.1853 -3.1853 -3.1188 -3.1188 -3.0453 -3.0453 -2.7750 -2.7750 -1.8368 -1.8368 -1.6909 -1.6909 -1.4120 -1.4120 -0.5492 -0.5492 -0.3458 -0.3458 -0.2436 -0.2436 -0.1070 -0.1070 -0.0759 -0.0759 0.0542 0.0542 0.2557 0.2557 0.3680 0.3680 0.4122 0.4122 2.0829 2.0829 2.1717 2.1717 2.3614 2.3614 5.5925 5.5925 5.6211 5.6211 10.8586 10.8586 14.6299 14.6299 15.0603 15.0603 k = 0.1877-0.1278-0.3311 ( 11743 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6126 -44.6126 -44.5746 -44.5746 -40.1773 -40.1773 -20.0439 -20.0439 -19.6925 -19.6925 -19.6732 -19.6732 -19.3782 -19.3782 -19.3190 -19.3190 -19.2639 -19.2639 -4.1920 -4.1920 -4.1754 -4.1754 -3.1815 -3.1815 -3.1101 -3.1101 -3.0406 -3.0406 -2.7615 -2.7615 -1.8299 -1.8299 -1.6824 -1.6824 -1.4028 -1.4028 -0.5670 -0.5670 -0.3610 -0.3610 -0.2396 -0.2396 -0.1185 -0.1185 -0.0917 -0.0917 0.0521 0.0521 0.2604 0.2604 0.3651 0.3651 0.4096 0.4096 2.0837 2.0837 2.1785 2.1785 2.3659 2.3659 5.5878 5.5878 5.6150 5.6150 10.9443 10.9443 14.5531 14.5531 14.9945 14.9945 k = 0.1955-0.1332-0.3449 ( 11745 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6126 -44.6126 -44.5746 -44.5746 -40.1773 -40.1773 -20.0355 -20.0355 -19.6939 -19.6939 -19.6747 -19.6747 -19.3822 -19.3822 -19.3216 -19.3216 -19.2635 -19.2635 -4.1978 -4.1978 -4.1829 -4.1829 -3.1782 -3.1782 -3.1005 -3.1005 -3.0348 -3.0348 -2.7488 -2.7488 -1.8233 -1.8233 -1.6743 -1.6743 -1.3945 -1.3945 -0.5846 -0.5846 -0.3771 -0.3771 -0.2337 -0.2337 -0.1306 -0.1306 -0.1074 -0.1074 0.0506 0.0506 0.2643 0.2643 0.3626 0.3626 0.4068 0.4068 2.0844 2.0844 2.1854 2.1854 2.3702 2.3702 5.5834 5.5834 5.6088 5.6088 11.0322 11.0322 14.4772 14.4772 14.9289 14.9289 k = 0.2034-0.1385-0.3587 ( 11751 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6126 -44.6126 -44.5746 -44.5746 -40.1773 -40.1773 -20.0271 -20.0271 -19.6954 -19.6954 -19.6762 -19.6762 -19.3860 -19.3860 -19.3242 -19.3242 -19.2632 -19.2632 -4.2033 -4.2033 -4.1903 -4.1903 -3.1751 -3.1751 -3.0905 -3.0905 -3.0278 -3.0278 -2.7372 -2.7372 -1.8170 -1.8170 -1.6664 -1.6664 -1.3869 -1.3869 -0.6015 -0.6015 -0.3938 -0.3938 -0.2269 -0.2269 -0.1434 -0.1434 -0.1227 -0.1227 0.0497 0.0497 0.2673 0.2673 0.3606 0.3606 0.4037 0.4037 2.0852 2.0852 2.1925 2.1925 2.3744 2.3744 5.5795 5.5795 5.6026 5.6026 11.1220 11.1220 14.4023 14.4023 14.8637 14.8637 k = 0.2112-0.1438-0.3725 ( 11763 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6126 -44.6126 -44.5746 -44.5746 -40.1773 -40.1773 -20.0187 -20.0187 -19.6968 -19.6968 -19.6777 -19.6777 -19.3897 -19.3897 -19.3268 -19.3268 -19.2630 -19.2630 -4.2088 -4.2088 -4.1973 -4.1973 -3.1719 -3.1719 -3.0804 -3.0804 -3.0196 -3.0196 -2.7269 -2.7269 -1.8111 -1.8111 -1.6585 -1.6585 -1.3800 -1.3800 -0.6170 -0.6170 -0.4111 -0.4111 -0.2204 -0.2204 -0.1564 -0.1564 -0.1374 -0.1374 0.0493 0.0493 0.2695 0.2695 0.3590 0.3590 0.4005 0.4005 2.0862 2.0862 2.1996 2.1996 2.3784 2.3784 5.5759 5.5759 5.5967 5.5967 11.2137 11.2137 14.3285 14.3285 14.7990 14.7990 k = 0.2190-0.1491-0.3863 ( 11765 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6126 -44.6126 -44.5746 -44.5746 -40.1773 -40.1773 -20.0104 -20.0104 -19.6982 -19.6982 -19.6792 -19.6792 -19.3932 -19.3932 -19.3294 -19.3294 -19.2630 -19.2630 -4.2148 -4.2148 -4.2035 -4.2035 -3.1684 -3.1684 -3.0706 -3.0706 -3.0101 -3.0101 -2.7181 -2.7181 -1.8055 -1.8055 -1.6505 -1.6505 -1.3738 -1.3738 -0.6311 -0.6311 -0.4289 -0.4289 -0.2165 -0.2165 -0.1686 -0.1686 -0.1508 -0.1508 0.0493 0.0493 0.2711 0.2711 0.3578 0.3578 0.3972 0.3972 2.0873 2.0873 2.2066 2.2066 2.3822 2.3822 5.5725 5.5725 5.5910 5.5910 11.3071 11.3071 14.2561 14.2561 14.7352 14.7352 k = 0.2268-0.1545-0.4001 ( 11761 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6126 -44.6126 -44.5746 -44.5746 -40.1773 -40.1773 -20.0022 -20.0022 -19.6998 -19.6998 -19.6805 -19.6805 -19.3965 -19.3965 -19.3320 -19.3320 -19.2632 -19.2632 -4.2215 -4.2215 -4.2084 -4.2084 -3.1646 -3.1646 -3.0612 -3.0612 -2.9995 -2.9995 -2.7110 -2.7110 -1.8003 -1.8003 -1.6423 -1.6423 -1.3682 -1.3682 -0.6434 -0.6434 -0.4470 -0.4470 -0.2184 -0.2184 -0.1791 -0.1791 -0.1608 -0.1608 0.0498 0.0498 0.2721 0.2721 0.3569 0.3569 0.3940 0.3940 2.0887 2.0887 2.2136 2.2136 2.3859 2.3859 5.5691 5.5691 5.5860 5.5860 11.4021 11.4021 14.1849 14.1849 14.6722 14.6722 k = 0.2346-0.1598-0.4139 ( 11769 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6126 -44.6126 -44.5747 -44.5747 -40.1773 -40.1773 -19.9941 -19.9941 -19.7014 -19.7014 -19.6816 -19.6816 -19.3995 -19.3995 -19.3347 -19.3347 -19.2635 -19.2635 -4.2290 -4.2290 -4.2120 -4.2120 -3.1603 -3.1603 -3.0522 -3.0522 -2.9877 -2.9877 -2.7058 -2.7058 -1.7955 -1.7955 -1.6337 -1.6337 -1.3631 -1.3631 -0.6538 -0.6538 -0.4653 -0.4653 -0.2283 -0.2283 -0.1895 -0.1895 -0.1638 -0.1638 0.0506 0.0506 0.2729 0.2729 0.3560 0.3560 0.3908 0.3908 2.0903 2.0903 2.2204 2.2204 2.3895 2.3895 5.5653 5.5653 5.5820 5.5820 11.4985 11.4985 14.1152 14.1152 14.6103 14.6103 k = 0.2425-0.1651-0.4277 ( 11759 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6126 -44.6126 -44.5747 -44.5747 -40.1773 -40.1773 -19.9862 -19.9862 -19.7031 -19.7031 -19.6825 -19.6825 -19.4023 -19.4023 -19.3373 -19.3373 -19.2641 -19.2641 -4.2370 -4.2370 -4.2144 -4.2144 -3.1555 -3.1555 -3.0437 -3.0437 -2.9750 -2.9750 -2.7025 -2.7025 -1.7910 -1.7910 -1.6245 -1.6245 -1.3587 -1.3587 -0.6624 -0.6624 -0.4838 -0.4838 -0.2436 -0.2436 -0.2014 -0.2014 -0.1608 -0.1608 0.0516 0.0516 0.2736 0.2736 0.3549 0.3549 0.3880 0.3880 2.0922 2.0922 2.2269 2.2269 2.3930 2.3930 5.5608 5.5608 5.5793 5.5793 11.5962 11.5962 14.0469 14.0469 14.5495 14.5495 k = 0.2503-0.1704-0.4415 ( 11749 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6126 -44.6126 -44.5747 -44.5747 -40.1773 -40.1773 -19.9785 -19.9785 -19.7050 -19.7050 -19.6831 -19.6831 -19.4047 -19.4047 -19.3400 -19.3400 -19.2648 -19.2648 -4.2453 -4.2453 -4.2159 -4.2159 -3.1503 -3.1503 -3.0355 -3.0355 -2.9617 -2.9617 -2.7011 -2.7011 -1.7867 -1.7867 -1.6147 -1.6147 -1.3550 -1.3550 -0.6691 -0.6691 -0.5024 -0.5024 -0.2617 -0.2617 -0.2140 -0.2140 -0.1556 -0.1556 0.0527 0.0527 0.2743 0.2743 0.3536 0.3536 0.3854 0.3854 2.0944 2.0944 2.2332 2.2332 2.3965 2.3965 5.5556 5.5556 5.5779 5.5779 11.6950 11.6950 13.9802 13.9802 14.4901 14.4901 k = 0.2581-0.1758-0.4553 ( 11753 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6126 -44.6126 -44.5747 -44.5747 -40.1773 -40.1773 -19.9711 -19.9711 -19.7071 -19.7071 -19.6834 -19.6834 -19.4069 -19.4069 -19.3426 -19.3426 -19.2658 -19.2658 -4.2538 -4.2538 -4.2166 -4.2166 -3.1446 -3.1446 -3.0276 -3.0276 -2.9479 -2.9479 -2.7016 -2.7016 -1.7826 -1.7826 -1.6044 -1.6044 -1.3521 -1.3521 -0.6739 -0.6739 -0.5209 -0.5209 -0.2812 -0.2812 -0.2265 -0.2265 -0.1499 -0.1499 0.0539 0.0539 0.2753 0.2753 0.3519 0.3519 0.3832 0.3832 2.0968 2.0968 2.2391 2.2391 2.3999 2.3999 5.5499 5.5499 5.5776 5.5776 11.7948 11.7948 13.9151 13.9151 14.4320 14.4320 k = 0.2659-0.1811-0.4691 ( 11757 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6126 -44.6126 -44.5747 -44.5747 -40.1773 -40.1773 -19.9640 -19.9640 -19.7092 -19.7092 -19.6834 -19.6834 -19.4087 -19.4087 -19.3451 -19.3451 -19.2669 -19.2669 -4.2624 -4.2624 -4.2166 -4.2166 -3.1385 -3.1385 -3.0200 -3.0200 -2.9339 -2.9339 -2.7036 -2.7036 -1.7786 -1.7786 -1.5933 -1.5933 -1.3500 -1.3500 -0.6769 -0.6769 -0.5394 -0.5394 -0.3016 -0.3016 -0.2385 -0.2385 -0.1446 -0.1446 0.0550 0.0550 0.2767 0.2767 0.3497 0.3497 0.3814 0.3814 2.0995 2.0995 2.2445 2.2445 2.4035 2.4035 5.5440 5.5440 5.5783 5.5783 11.8955 11.8955 13.8516 13.8516 14.3755 14.3755 k = 0.2737-0.1864-0.4829 ( 11751 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6126 -44.6126 -44.5747 -44.5747 -40.1772 -40.1772 -19.9573 -19.9573 -19.7114 -19.7114 -19.6831 -19.6831 -19.4102 -19.4102 -19.3476 -19.3476 -19.2683 -19.2683 -4.2711 -4.2711 -4.2158 -4.2158 -3.1321 -3.1321 -3.0126 -3.0126 -2.9197 -2.9197 -2.7070 -2.7070 -1.7746 -1.7746 -1.5818 -1.5818 -1.3490 -1.3490 -0.6784 -0.6784 -0.5577 -0.5577 -0.3226 -0.3226 -0.2500 -0.2500 -0.1399 -0.1399 0.0560 0.0560 0.2785 0.2785 0.3471 0.3471 0.3798 0.3798 2.1023 2.1023 2.2494 2.2494 2.4071 2.4071 5.5379 5.5379 5.5798 5.5798 11.9968 11.9968 13.7899 13.7899 14.3206 14.3206 k = 0.2816-0.1918-0.4967 ( 11747 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6126 -44.6126 -44.5747 -44.5747 -40.1772 -40.1772 -19.9510 -19.9510 -19.7136 -19.7136 -19.6826 -19.6826 -19.4114 -19.4114 -19.3501 -19.3501 -19.2699 -19.2699 -4.2797 -4.2797 -4.2143 -4.2143 -3.1255 -3.1255 -3.0056 -3.0056 -2.9056 -2.9056 -2.7114 -2.7114 -1.7707 -1.7707 -1.5697 -1.5697 -1.3491 -1.3491 -0.6788 -0.6788 -0.5753 -0.5753 -0.3438 -0.3438 -0.2608 -0.2608 -0.1361 -0.1361 0.0567 0.0567 0.2807 0.2807 0.3442 0.3442 0.3785 0.3785 2.1052 2.1052 2.2538 2.2538 2.4110 2.4110 5.5318 5.5318 5.5819 5.5819 12.0987 12.0987 13.7299 13.7299 14.2675 14.2675 k = 0.2894-0.1971-0.5105 ( 11739 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6126 -44.6126 -44.5747 -44.5747 -40.1772 -40.1772 -19.9451 -19.9451 -19.7158 -19.7158 -19.6818 -19.6818 -19.4123 -19.4123 -19.3524 -19.3524 -19.2718 -19.2718 -4.2884 -4.2884 -4.2121 -4.2121 -3.1189 -3.1189 -2.9989 -2.9989 -2.8917 -2.8917 -2.7162 -2.7162 -1.7668 -1.7668 -1.5573 -1.5573 -1.3504 -1.3504 -0.6788 -0.6788 -0.5919 -0.5919 -0.3650 -0.3650 -0.2706 -0.2706 -0.1331 -0.1331 0.0573 0.0573 0.2833 0.2833 0.3410 0.3410 0.3774 0.3774 2.1081 2.1081 2.2576 2.2576 2.4151 2.4151 5.5258 5.5258 5.5846 5.5846 12.2009 12.2009 13.6717 13.6717 14.2163 14.2163 k = 0.2972-0.2024-0.5243 ( 11749 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6126 -44.6126 -44.5747 -44.5747 -40.1772 -40.1772 -19.9397 -19.9397 -19.7178 -19.7178 -19.6808 -19.6808 -19.4129 -19.4129 -19.3546 -19.3546 -19.2738 -19.2738 -4.2970 -4.2970 -4.2093 -4.2093 -3.1125 -3.1125 -2.9926 -2.9926 -2.8782 -2.8782 -2.7211 -2.7211 -1.7629 -1.7629 -1.5447 -1.5447 -1.3529 -1.3529 -0.6797 -0.6797 -0.6064 -0.6064 -0.3858 -0.3858 -0.2793 -0.2793 -0.1310 -0.1310 0.0576 0.0576 0.2861 0.2861 0.3377 0.3377 0.3763 0.3763 2.1110 2.1110 2.2608 2.2608 2.4195 2.4195 5.5198 5.5198 5.5878 5.5878 12.3033 12.3033 13.6153 13.6153 14.1671 14.1671 k = 0.3050-0.2077-0.5381 ( 11747 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6126 -44.6126 -44.5747 -44.5747 -40.1772 -40.1772 -19.9349 -19.9349 -19.7197 -19.7197 -19.6795 -19.6795 -19.4133 -19.4133 -19.3566 -19.3566 -19.2760 -19.2760 -4.3055 -4.3055 -4.2059 -4.2059 -3.1065 -3.1065 -2.9865 -2.9865 -2.8651 -2.8651 -2.7254 -2.7254 -1.7591 -1.7591 -1.5320 -1.5320 -1.3569 -1.3569 -0.6835 -0.6835 -0.6171 -0.6171 -0.4059 -0.4059 -0.2868 -0.2868 -0.1297 -0.1297 0.0578 0.0578 0.2890 0.2890 0.3343 0.3343 0.3753 0.3753 2.1137 2.1137 2.2634 2.2634 2.4243 2.4243 5.5139 5.5139 5.5915 5.5915 12.4057 12.4057 13.5608 13.5608 14.1200 14.1200 k = 0.3129-0.2131-0.5519 ( 11749 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6126 -44.6126 -44.5747 -44.5747 -40.1772 -40.1772 -19.9306 -19.9306 -19.7214 -19.7214 -19.6781 -19.6781 -19.4136 -19.4136 -19.3584 -19.3584 -19.2784 -19.2784 -4.3139 -4.3139 -4.2020 -4.2020 -3.1013 -3.1013 -2.9808 -2.9808 -2.8526 -2.8526 -2.7285 -2.7285 -1.7554 -1.7554 -1.5194 -1.5194 -1.3622 -1.3622 -0.6921 -0.6921 -0.6227 -0.6227 -0.4248 -0.4248 -0.2929 -0.2929 -0.1291 -0.1291 0.0579 0.0579 0.2918 0.2918 0.3310 0.3310 0.3744 0.3744 2.1161 2.1161 2.2655 2.2655 2.4294 2.4294 5.5081 5.5081 5.5956 5.5956 12.5079 12.5079 13.5082 13.5082 14.0753 14.0753 k = 0.3207-0.2184-0.5657 ( 11755 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6126 -44.6126 -44.5747 -44.5747 -40.1772 -40.1772 -19.9269 -19.9269 -19.7228 -19.7228 -19.6764 -19.6764 -19.4138 -19.4138 -19.3600 -19.3600 -19.2811 -19.2811 -4.3222 -4.3222 -4.1976 -4.1976 -3.0973 -3.0973 -2.9752 -2.9752 -2.8407 -2.8407 -2.7301 -2.7301 -1.7519 -1.7519 -1.5072 -1.5072 -1.3687 -1.3687 -0.7053 -0.7053 -0.6241 -0.6241 -0.4420 -0.4420 -0.2974 -0.2974 -0.1292 -0.1292 0.0579 0.0579 0.2942 0.2942 0.3278 0.3278 0.3737 0.3737 2.1180 2.1180 2.2672 2.2672 2.4348 2.4348 5.5025 5.5025 5.6002 5.6002 12.6096 12.6096 13.4576 13.4576 14.0331 14.0331 k = 0.3285-0.2237-0.5795 ( 11759 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5747 -44.5747 -40.1773 -40.1773 -19.9238 -19.9238 -19.7240 -19.7240 -19.6746 -19.6746 -19.4139 -19.4139 -19.3614 -19.3614 -19.2838 -19.2838 -4.3304 -4.3304 -4.1928 -4.1928 -3.0948 -3.0948 -2.9695 -2.9695 -2.8296 -2.8296 -2.7296 -2.7296 -1.7485 -1.7485 -1.4956 -1.4956 -1.3763 -1.3763 -0.7217 -0.7217 -0.6237 -0.6237 -0.4569 -0.4569 -0.3000 -0.3000 -0.1298 -0.1298 0.0580 0.0580 0.2959 0.2959 0.3249 0.3249 0.3732 0.3732 2.1194 2.1194 2.2685 2.2685 2.4406 2.4406 5.4970 5.4970 5.6050 5.6050 12.7105 12.7105 13.4089 13.4089 13.9938 13.9938 k = 0.3363-0.2290-0.5933 ( 11755 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5747 -44.5747 -40.1773 -40.1773 -19.9213 -19.9213 -19.7248 -19.7248 -19.6726 -19.6726 -19.4139 -19.4139 -19.3624 -19.3624 -19.2867 -19.2867 -4.3384 -4.3384 -4.1876 -4.1876 -3.0942 -3.0942 -2.9635 -2.9635 -2.8191 -2.8191 -2.7271 -2.7271 -1.7453 -1.7453 -1.4851 -1.4851 -1.3847 -1.3847 -0.7397 -0.7397 -0.6237 -0.6237 -0.4688 -0.4688 -0.3006 -0.3006 -0.1307 -0.1307 0.0581 0.0581 0.2965 0.2965 0.3224 0.3224 0.3731 0.3731 2.1201 2.1201 2.2696 2.2696 2.4466 2.4466 5.4917 5.4917 5.6101 5.6101 12.8101 12.8101 13.3622 13.3622 13.9575 13.9575 k = 0.3441-0.2344-0.6071 ( 11756 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5747 -44.5747 -40.1773 -40.1773 -19.9194 -19.9194 -19.7254 -19.7254 -19.6704 -19.6704 -19.4141 -19.4141 -19.3632 -19.3632 -19.2898 -19.2898 -4.3462 -4.3462 -4.1821 -4.1821 -3.0957 -3.0957 -2.9568 -2.9568 -2.8091 -2.8091 -2.7226 -2.7226 -1.7424 -1.7424 -1.4763 -1.4763 -1.3931 -1.3931 -0.7587 -0.7587 -0.6258 -0.6258 -0.4772 -0.4772 -0.2990 -0.2990 -0.1316 -0.1316 0.0585 0.0585 0.2958 0.2958 0.3203 0.3203 0.3734 0.3734 2.1199 2.1199 2.2706 2.2706 2.4529 2.4529 5.4866 5.4866 5.6154 5.6154 12.9080 12.9080 13.3176 13.3176 13.9248 13.9248 k = 0.3520-0.2397-0.6209 ( 11746 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5747 -44.5747 -40.1772 -40.1772 -19.9180 -19.9180 -19.7256 -19.7256 -19.6681 -19.6681 -19.4143 -19.4143 -19.3636 -19.3636 -19.2929 -19.2929 -4.3539 -4.3539 -4.1764 -4.1764 -3.0992 -3.0992 -2.9493 -2.9493 -2.7993 -2.7993 -2.7164 -2.7164 -1.7398 -1.7398 -1.4706 -1.4706 -1.4003 -1.4003 -0.7782 -0.7782 -0.6306 -0.6306 -0.4822 -0.4822 -0.2954 -0.2954 -0.1323 -0.1323 0.0591 0.0591 0.2940 0.2940 0.3183 0.3183 0.3742 0.3742 2.1189 2.1189 2.2717 2.2717 2.4593 2.4593 5.4816 5.4816 5.6209 5.6209 13.0032 13.0032 13.2751 13.2751 13.8965 13.8965 k = 0.3598-0.2450-0.6347 ( 11744 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5747 -44.5747 -40.1772 -40.1772 -19.9172 -19.9172 -19.7255 -19.7255 -19.6656 -19.6656 -19.4147 -19.4147 -19.3636 -19.3636 -19.2962 -19.2962 -4.3613 -4.3613 -4.1706 -4.1706 -3.1046 -3.1046 -2.9411 -2.9411 -2.7897 -2.7897 -2.7088 -2.7088 -1.7375 -1.7375 -1.4696 -1.4696 -1.4044 -1.4044 -0.7979 -0.7979 -0.6380 -0.6380 -0.4843 -0.4843 -0.2898 -0.2898 -0.1324 -0.1324 0.0600 0.0600 0.2913 0.2913 0.3163 0.3163 0.3756 0.3756 2.1168 2.1168 2.2729 2.2729 2.4658 2.4658 5.4769 5.4769 5.6265 5.6265 13.0945 13.0945 13.2349 13.2349 13.8734 13.8734 k = 0.3676-0.2503-0.6484 ( 11738 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5747 -44.5747 -40.1772 -40.1772 -19.9168 -19.9168 -19.7252 -19.7252 -19.6630 -19.6630 -19.4152 -19.4152 -19.3633 -19.3633 -19.2995 -19.2995 -4.3684 -4.3684 -4.1647 -4.1647 -3.1115 -3.1115 -2.9321 -2.9321 -2.7800 -2.7800 -2.7002 -2.7002 -1.7355 -1.7355 -1.4747 -1.4747 -1.4042 -1.4042 -0.8175 -0.8175 -0.6474 -0.6474 -0.4844 -0.4844 -0.2828 -0.2828 -0.1314 -0.1314 0.0612 0.0612 0.2878 0.2878 0.3140 0.3140 0.3773 0.3773 2.1137 2.1137 2.2743 2.2743 2.4724 2.4724 5.4724 5.4724 5.6322 5.6322 13.1759 13.1759 13.2014 13.2014 13.8573 13.8573 k = 0.6324 0.0141-0.4671 ( 11738 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5747 -44.5747 -40.1772 -40.1772 -19.9168 -19.9168 -19.7254 -19.7254 -19.6629 -19.6629 -19.4153 -19.4153 -19.3634 -19.3634 -19.2994 -19.2994 -4.3685 -4.3685 -4.1646 -4.1646 -3.1115 -3.1115 -2.9321 -2.9321 -2.7800 -2.7800 -2.7002 -2.7002 -1.7355 -1.7355 -1.4747 -1.4747 -1.4043 -1.4043 -0.8175 -0.8175 -0.6474 -0.6474 -0.4845 -0.4845 -0.2827 -0.2827 -0.1314 -0.1314 0.0613 0.0613 0.2879 0.2879 0.3139 0.3139 0.3773 0.3773 2.1138 2.1138 2.2743 2.2743 2.4724 2.4724 5.4723 5.4723 5.6322 5.6322 13.1759 13.1759 13.2014 13.2014 13.8573 13.8573 k = 0.6246 0.0288-0.4671 ( 11738 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5747 -44.5747 -40.1772 -40.1772 -19.9169 -19.9169 -19.7248 -19.7248 -19.6602 -19.6602 -19.4160 -19.4160 -19.3628 -19.3628 -19.3027 -19.3027 -4.3753 -4.3753 -4.1588 -4.1588 -3.1194 -3.1194 -2.9226 -2.9226 -2.7702 -2.7702 -2.6911 -2.6911 -1.7338 -1.7338 -1.4848 -1.4848 -1.4006 -1.4006 -0.8369 -0.8369 -0.6580 -0.6580 -0.4835 -0.4835 -0.2749 -0.2749 -0.1287 -0.1287 0.0627 0.0627 0.2840 0.2840 0.3112 0.3112 0.3794 0.3794 2.1097 2.1097 2.2760 2.2760 2.4789 2.4789 5.4681 5.4681 5.6378 5.6378 13.1582 13.1582 13.2612 13.2612 13.8503 13.8503 k = 0.6168 0.0435-0.4671 ( 11738 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5747 -44.5747 -40.1772 -40.1772 -19.9173 -19.9173 -19.7241 -19.7241 -19.6574 -19.6574 -19.4168 -19.4168 -19.3620 -19.3620 -19.3060 -19.3060 -4.3819 -4.3819 -4.1530 -4.1530 -3.1280 -3.1280 -2.9128 -2.9128 -2.7603 -2.7603 -2.6815 -2.6815 -1.7326 -1.7326 -1.4982 -1.4982 -1.3950 -1.3950 -0.8560 -0.8560 -0.6692 -0.6692 -0.4820 -0.4820 -0.2671 -0.2671 -0.1238 -0.1238 0.0645 0.0645 0.2797 0.2797 0.3080 0.3080 0.3817 0.3817 2.1048 2.1048 2.2779 2.2779 2.4853 2.4853 5.4640 5.4640 5.6434 5.6434 13.1246 13.1246 13.3281 13.3281 13.8556 13.8556 k = 0.6090 0.0583-0.4671 ( 11736 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5747 -44.5747 -40.1772 -40.1772 -19.9180 -19.9180 -19.7233 -19.7233 -19.6545 -19.6545 -19.4178 -19.4178 -19.3610 -19.3610 -19.3092 -19.3092 -4.3882 -4.3882 -4.1473 -4.1473 -3.1370 -3.1370 -2.9027 -2.9027 -2.7504 -2.7504 -2.6717 -2.6717 -1.7316 -1.7316 -1.5135 -1.5135 -1.3887 -1.3887 -0.8745 -0.8745 -0.6804 -0.6804 -0.4803 -0.4803 -0.2603 -0.2603 -0.1161 -0.1161 0.0665 0.0665 0.2753 0.2753 0.3044 0.3044 0.3841 0.3841 2.0991 2.0991 2.2800 2.2800 2.4917 2.4917 5.4602 5.4602 5.6489 5.6489 13.0927 13.0927 13.3812 13.3812 13.8763 13.8763 k = 0.6012 0.0730-0.4671 ( 11754 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5747 -44.5747 -40.1773 -40.1773 -19.9190 -19.9190 -19.7223 -19.7223 -19.6516 -19.6516 -19.4189 -19.4189 -19.3599 -19.3599 -19.3124 -19.3124 -4.3942 -4.3942 -4.1418 -4.1418 -3.1460 -3.1460 -2.8926 -2.8926 -2.7405 -2.7405 -2.6620 -2.6620 -1.7310 -1.7310 -1.5299 -1.5299 -1.3823 -1.3823 -0.8925 -0.8925 -0.6913 -0.6913 -0.4786 -0.4786 -0.2550 -0.2550 -0.1055 -0.1055 0.0688 0.0688 0.2707 0.2707 0.3005 0.3005 0.3865 0.3865 2.0927 2.0927 2.2823 2.2823 2.4978 2.4978 5.4566 5.4566 5.6543 5.6543 13.0629 13.0629 13.4183 13.4183 13.9141 13.9141 k = 0.5935 0.0877-0.4671 ( 11754 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5747 -44.5747 -40.1773 -40.1773 -19.9202 -19.9202 -19.7213 -19.7213 -19.6487 -19.6487 -19.4200 -19.4200 -19.3588 -19.3588 -19.3154 -19.3154 -4.3998 -4.3998 -4.1366 -4.1366 -3.1547 -3.1547 -2.8827 -2.8827 -2.7307 -2.7307 -2.6522 -2.6522 -1.7308 -1.7308 -1.5468 -1.5468 -1.3762 -1.3762 -0.9097 -0.9097 -0.7017 -0.7017 -0.4771 -0.4771 -0.2515 -0.2515 -0.0922 -0.0922 0.0713 0.0713 0.2660 0.2660 0.2963 0.2963 0.3888 0.3888 2.0857 2.0857 2.2847 2.2847 2.5037 2.5037 5.4533 5.4533 5.6594 5.6594 13.0352 13.0352 13.4403 13.4403 13.9679 13.9679 k = 0.5857 0.1024-0.4671 ( 11758 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5747 -44.5747 -40.1773 -40.1773 -19.9215 -19.9215 -19.7202 -19.7202 -19.6457 -19.6457 -19.4212 -19.4212 -19.3577 -19.3577 -19.3181 -19.3181 -4.4051 -4.4051 -4.1317 -4.1317 -3.1630 -3.1630 -2.8730 -2.8730 -2.7212 -2.7212 -2.6427 -2.6427 -1.7310 -1.7310 -1.5637 -1.5637 -1.3705 -1.3705 -0.9260 -0.9260 -0.7114 -0.7114 -0.4756 -0.4756 -0.2496 -0.2496 -0.0767 -0.0767 0.0740 0.0740 0.2613 0.2613 0.2920 0.2920 0.3909 0.3909 2.0785 2.0785 2.2871 2.2871 2.5092 2.5092 5.4502 5.4502 5.6643 5.6643 13.0096 13.0096 13.4508 13.4508 14.0341 14.0341 k = 0.5779 0.1172-0.4671 ( 11756 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5747 -44.5747 -40.1773 -40.1773 -19.9228 -19.9228 -19.7192 -19.7192 -19.6429 -19.6429 -19.4223 -19.4223 -19.3567 -19.3567 -19.3207 -19.3207 -4.4100 -4.4100 -4.1271 -4.1271 -3.1707 -3.1707 -2.8638 -2.8638 -2.7120 -2.7120 -2.6335 -2.6335 -1.7315 -1.7315 -1.5802 -1.5802 -1.3654 -1.3654 -0.9413 -0.9413 -0.7204 -0.7204 -0.4743 -0.4743 -0.2490 -0.2490 -0.0598 -0.0598 0.0769 0.0769 0.2566 0.2566 0.2875 0.2875 0.3929 0.3929 2.0711 2.0711 2.2895 2.2895 2.5145 2.5145 5.4474 5.4474 5.6690 5.6690 12.9863 12.9863 13.4535 13.4535 14.1085 14.1085 k = 0.5701 0.1319-0.4671 ( 11756 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5747 -44.5747 -40.1773 -40.1773 -19.9242 -19.9242 -19.7182 -19.7182 -19.6401 -19.6401 -19.4235 -19.4235 -19.3558 -19.3558 -19.3229 -19.3229 -4.4144 -4.4144 -4.1230 -4.1230 -3.1777 -3.1777 -2.8551 -2.8551 -2.7034 -2.7034 -2.6247 -2.6247 -1.7324 -1.7324 -1.5961 -1.5961 -1.3609 -1.3609 -0.9556 -0.9556 -0.7285 -0.7285 -0.4732 -0.4732 -0.2493 -0.2493 -0.0421 -0.0421 0.0799 0.0799 0.2520 0.2520 0.2830 0.2830 0.3947 0.3947 2.0637 2.0637 2.2919 2.2919 2.5194 2.5194 5.4448 5.4448 5.6733 5.6733 12.9651 12.9651 13.4516 13.4516 14.1878 14.1878 k = 0.5623 0.1466-0.4671 ( 11762 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5747 -44.5747 -40.1773 -40.1773 -19.9255 -19.9255 -19.7172 -19.7172 -19.6375 -19.6375 -19.4246 -19.4246 -19.3552 -19.3552 -19.3247 -19.3247 -4.4185 -4.4185 -4.1192 -4.1192 -3.1841 -3.1841 -2.8471 -2.8471 -2.6953 -2.6953 -2.6163 -2.6163 -1.7337 -1.7337 -1.6108 -1.6108 -1.3570 -1.3570 -0.9685 -0.9685 -0.7357 -0.7357 -0.4721 -0.4721 -0.2503 -0.2503 -0.0244 -0.0244 0.0829 0.0829 0.2475 0.2475 0.2785 0.2785 0.3963 0.3963 2.0566 2.0566 2.2941 2.2941 2.5238 2.5238 5.4425 5.4425 5.6772 5.6772 12.9461 12.9461 13.4471 13.4471 14.2696 14.2696 k = 0.5545 0.1613-0.4671 ( 11760 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5747 -44.5747 -40.1773 -40.1773 -19.9268 -19.9268 -19.7163 -19.7163 -19.6350 -19.6350 -19.4256 -19.4256 -19.3549 -19.3549 -19.3262 -19.3262 -4.4221 -4.4221 -4.1159 -4.1159 -3.1896 -3.1896 -2.8397 -2.8397 -2.6880 -2.6880 -2.6085 -2.6085 -1.7354 -1.7354 -1.6242 -1.6242 -1.3536 -1.3536 -0.9802 -0.9802 -0.7420 -0.7420 -0.4711 -0.4711 -0.2515 -0.2515 -0.0073 -0.0073 0.0860 0.0860 0.2431 0.2431 0.2741 0.2741 0.3977 0.3977 2.0498 2.0498 2.2962 2.2962 2.5278 2.5278 5.4404 5.4404 5.6808 5.6808 12.9293 12.9293 13.4416 13.4416 14.3519 14.3519 k = 0.5467 0.1761-0.4671 ( 11754 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5747 -44.5747 -40.1773 -40.1773 -19.9279 -19.9279 -19.7155 -19.7155 -19.6328 -19.6328 -19.4266 -19.4266 -19.3548 -19.3548 -19.3273 -19.3273 -4.4253 -4.4253 -4.1130 -4.1130 -3.1944 -3.1944 -2.8332 -2.8332 -2.6814 -2.6814 -2.6015 -2.6015 -1.7374 -1.7374 -1.6360 -1.6360 -1.3509 -1.3509 -0.9905 -0.9905 -0.7475 -0.7475 -0.4702 -0.4702 -0.2529 -0.2529 0.0087 0.0087 0.0889 0.0889 0.2390 0.2390 0.2700 0.2700 0.3989 0.3989 2.0435 2.0435 2.2981 2.2981 2.5314 2.5314 5.4387 5.4387 5.6840 5.6840 12.9147 12.9147 13.4357 13.4357 14.4332 14.4332 k = 0.5389 0.1908-0.4671 ( 11756 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5747 -44.5747 -40.1773 -40.1773 -19.9290 -19.9290 -19.7148 -19.7148 -19.6308 -19.6308 -19.4274 -19.4274 -19.3549 -19.3549 -19.3281 -19.3281 -4.4280 -4.4280 -4.1105 -4.1105 -3.1984 -3.1984 -2.8276 -2.8276 -2.6757 -2.6757 -2.5953 -2.5953 -1.7396 -1.7396 -1.6460 -1.6460 -1.3487 -1.3487 -0.9992 -0.9992 -0.7521 -0.7521 -0.4695 -0.4695 -0.2543 -0.2543 0.0230 0.0230 0.0918 0.0918 0.2352 0.2352 0.2661 0.2661 0.3998 0.3998 2.0379 2.0379 2.2997 2.2997 2.5344 2.5344 5.4372 5.4372 5.6867 5.6867 12.9024 12.9024 13.4301 13.4301 14.5116 14.5116 k = 0.5312 0.2055-0.4671 ( 11750 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5747 -44.5747 -40.1773 -40.1773 -19.9298 -19.9298 -19.7143 -19.7143 -19.6291 -19.6291 -19.4281 -19.4281 -19.3551 -19.3551 -19.3286 -19.3286 -4.4303 -4.4303 -4.1085 -4.1085 -3.2016 -3.2016 -2.8229 -2.8229 -2.6710 -2.6710 -2.5900 -2.5900 -1.7419 -1.7419 -1.6540 -1.6540 -1.3469 -1.3469 -1.0065 -1.0065 -0.7558 -0.7558 -0.4689 -0.4689 -0.2555 -0.2555 0.0354 0.0354 0.0945 0.0945 0.2319 0.2319 0.2627 0.2627 0.4006 0.4006 2.0331 2.0331 2.3011 2.3011 2.5369 2.5369 5.4359 5.4359 5.6890 5.6890 12.8922 12.8922 13.4252 13.4252 14.5830 14.5830 k = 0.5234 0.2203-0.4671 ( 11748 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5747 -44.5747 -40.1773 -40.1773 -19.9305 -19.9305 -19.7138 -19.7138 -19.6278 -19.6278 -19.4287 -19.4287 -19.3554 -19.3554 -19.3288 -19.3288 -4.4320 -4.4320 -4.1069 -4.1069 -3.2041 -3.2041 -2.8192 -2.8192 -2.6672 -2.6672 -2.5858 -2.5858 -1.7441 -1.7441 -1.6602 -1.6602 -1.3457 -1.3457 -1.0122 -1.0122 -0.7587 -0.7587 -0.4684 -0.4684 -0.2566 -0.2566 0.0453 0.0453 0.0969 0.0969 0.2291 0.2291 0.2598 0.2598 0.4012 0.4012 2.0293 2.0293 2.3022 2.3022 2.5389 2.5389 5.4350 5.4350 5.6907 5.6907 12.8844 12.8844 13.4212 13.4212 14.6267 14.6267 k = 0.5156 0.2350-0.4671 ( 11756 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5747 -44.5747 -40.1773 -40.1773 -19.9311 -19.9311 -19.7135 -19.7135 -19.6268 -19.6268 -19.4291 -19.4291 -19.3557 -19.3557 -19.3290 -19.3290 -4.4333 -4.4333 -4.1058 -4.1058 -3.2058 -3.2058 -2.8165 -2.8165 -2.6645 -2.6645 -2.5827 -2.5827 -1.7459 -1.7459 -1.6645 -1.6645 -1.3448 -1.3448 -1.0163 -1.0163 -0.7607 -0.7607 -0.4680 -0.4680 -0.2574 -0.2574 0.0526 0.0526 0.0988 0.0988 0.2269 0.2269 0.2577 0.2577 0.4016 0.4016 2.0265 2.0265 2.3030 2.3030 2.5403 2.5403 5.4343 5.4343 5.6920 5.6920 12.8788 12.8788 13.4182 13.4182 14.6314 14.6314 k = 0.5078 0.2497-0.4671 ( 11760 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5747 -44.5747 -40.1773 -40.1773 -19.9314 -19.9314 -19.7133 -19.7133 -19.6262 -19.6262 -19.4294 -19.4294 -19.3559 -19.3559 -19.3290 -19.3290 -4.4340 -4.4340 -4.1052 -4.1052 -3.2069 -3.2069 -2.8149 -2.8149 -2.6629 -2.6629 -2.5808 -2.5808 -1.7471 -1.7471 -1.6670 -1.6670 -1.3443 -1.3443 -1.0187 -1.0187 -0.7620 -0.7620 -0.4678 -0.4678 -0.2578 -0.2578 0.0569 0.0569 0.1001 0.1001 0.2256 0.2256 0.2563 0.2563 0.4019 0.4019 2.0247 2.0247 2.3034 2.3034 2.5412 2.5412 5.4339 5.4339 5.6928 5.6928 12.8754 12.8754 13.4164 13.4164 14.6299 14.6299 k = 0.5000 0.2644-0.4671 ( 11758 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5747 -44.5747 -40.1773 -40.1773 -19.9315 -19.9315 -19.7132 -19.7132 -19.6260 -19.6260 -19.4295 -19.4295 -19.3559 -19.3559 -19.3291 -19.3291 -4.4343 -4.4343 -4.1049 -4.1049 -3.2072 -3.2072 -2.8143 -2.8143 -2.6623 -2.6623 -2.5801 -2.5801 -1.7475 -1.7475 -1.6678 -1.6678 -1.3441 -1.3441 -1.0195 -1.0195 -0.7624 -0.7624 -0.4677 -0.4677 -0.2580 -0.2580 0.0584 0.0584 0.1006 0.1006 0.2251 0.2251 0.2559 0.2559 0.4019 0.4019 2.0242 2.0242 2.3036 2.3036 2.5415 2.5415 5.4337 5.4337 5.6930 5.6930 12.8743 12.8743 13.4158 13.4158 14.6292 14.6292 k = 0.5000 0.2644-0.4671 ( 11758 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5747 -44.5747 -40.1773 -40.1773 -19.9315 -19.9315 -19.7132 -19.7132 -19.6260 -19.6260 -19.4295 -19.4295 -19.3559 -19.3559 -19.3291 -19.3291 -4.4343 -4.4343 -4.1049 -4.1049 -3.2072 -3.2072 -2.8143 -2.8143 -2.6623 -2.6623 -2.5801 -2.5801 -1.7475 -1.7475 -1.6678 -1.6678 -1.3441 -1.3441 -1.0195 -1.0195 -0.7624 -0.7624 -0.4677 -0.4677 -0.2580 -0.2580 0.0584 0.0584 0.1006 0.1006 0.2251 0.2251 0.2559 0.2559 0.4019 0.4019 2.0242 2.0242 2.3036 2.3036 2.5415 2.5415 5.4337 5.4337 5.6930 5.6930 12.8743 12.8743 13.4158 13.4158 14.6292 14.6292 k = 0.5095 0.2694-0.4541 ( 11752 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5747 -44.5747 -40.1773 -40.1773 -19.9314 -19.9314 -19.7133 -19.7133 -19.6262 -19.6262 -19.4294 -19.4294 -19.3559 -19.3559 -19.3290 -19.3290 -4.4339 -4.4339 -4.1053 -4.1053 -3.2073 -3.2073 -2.8145 -2.8145 -2.6628 -2.6628 -2.5805 -2.5805 -1.7465 -1.7465 -1.6675 -1.6675 -1.3442 -1.3442 -1.0186 -1.0186 -0.7618 -0.7618 -0.4677 -0.4677 -0.2581 -0.2581 0.0580 0.0580 0.0986 0.0986 0.2258 0.2258 0.2560 0.2560 0.4017 0.4017 2.0247 2.0247 2.3038 2.3038 2.5412 2.5412 5.4340 5.4340 5.6925 5.6925 12.8756 12.8756 13.4161 13.4161 14.6119 14.6119 k = 0.5189 0.2744-0.4412 ( 11757 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5747 -44.5747 -40.1773 -40.1773 -19.9311 -19.9311 -19.7136 -19.7136 -19.6268 -19.6268 -19.4291 -19.4291 -19.3558 -19.3558 -19.3288 -19.3288 -4.4328 -4.4328 -4.1064 -4.1064 -3.2077 -3.2077 -2.8149 -2.8149 -2.6645 -2.6645 -2.5818 -2.5818 -1.7435 -1.7435 -1.6664 -1.6664 -1.3445 -1.3445 -1.0157 -1.0157 -0.7601 -0.7601 -0.4678 -0.4678 -0.2583 -0.2583 0.0566 0.0566 0.0930 0.0930 0.2276 0.2276 0.2566 0.2566 0.4012 0.4012 2.0263 2.0263 2.3043 2.3043 2.5404 2.5404 5.4349 5.4349 5.6907 5.6907 12.8798 12.8798 13.4171 13.4171 14.5647 14.5647 k = 0.5284 0.2794-0.4282 ( 11757 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5747 -44.5747 -40.1773 -40.1773 -19.9307 -19.9307 -19.7141 -19.7141 -19.6278 -19.6278 -19.4285 -19.4285 -19.3556 -19.3556 -19.3283 -19.3283 -4.4309 -4.4309 -4.1082 -4.1082 -3.2082 -3.2082 -2.8157 -2.8157 -2.6672 -2.6672 -2.5838 -2.5838 -1.7390 -1.7390 -1.6644 -1.6644 -1.3451 -1.3451 -1.0108 -1.0108 -0.7573 -0.7573 -0.4679 -0.4679 -0.2587 -0.2587 0.0537 0.0537 0.0846 0.0846 0.2302 0.2302 0.2576 0.2576 0.4002 0.4002 2.0289 2.0289 2.3051 2.3051 2.5391 2.5391 5.4363 5.4363 5.6878 5.6878 12.8867 12.8867 13.4184 13.4184 14.4973 14.4973 k = 0.5378 0.2844-0.4153 ( 11751 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5747 -44.5747 -40.1773 -40.1773 -19.9302 -19.9302 -19.7148 -19.7148 -19.6292 -19.6292 -19.4278 -19.4278 -19.3554 -19.3554 -19.3277 -19.3277 -4.4283 -4.4283 -4.1108 -4.1108 -3.2089 -3.2089 -2.8167 -2.8167 -2.6710 -2.6710 -2.5864 -2.5864 -1.7334 -1.7334 -1.6611 -1.6611 -1.3459 -1.3459 -1.0041 -1.0041 -0.7535 -0.7535 -0.4680 -0.4680 -0.2593 -0.2593 0.0479 0.0479 0.0753 0.0753 0.2334 0.2334 0.2589 0.2589 0.3989 0.3989 2.0325 2.0325 2.3062 2.3062 2.5373 2.5373 5.4383 5.4383 5.6837 5.6837 12.8963 12.8963 13.4199 13.4199 14.4187 14.4187 k = 0.5473 0.2894-0.4023 ( 11745 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5747 -44.5747 -40.1773 -40.1773 -19.9295 -19.9295 -19.7156 -19.7156 -19.6309 -19.6309 -19.4270 -19.4270 -19.3553 -19.3553 -19.3267 -19.3267 -4.4250 -4.4250 -4.1140 -4.1140 -3.2096 -3.2096 -2.8180 -2.8180 -2.6760 -2.6760 -2.5897 -2.5897 -1.7275 -1.7275 -1.6559 -1.6559 -1.3469 -1.3469 -0.9954 -0.9954 -0.7486 -0.7486 -0.4681 -0.4681 -0.2601 -0.2601 0.0371 0.0371 0.0679 0.0679 0.2367 0.2367 0.2606 0.2606 0.3972 0.3972 2.0368 2.0368 2.3076 2.3076 2.5350 2.5350 5.4408 5.4408 5.6786 5.6786 12.9086 12.9086 13.4208 13.4208 14.3344 14.3344 k = 0.5567 0.2944-0.3894 ( 11735 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5747 -44.5747 -40.1773 -40.1773 -19.9288 -19.9288 -19.7165 -19.7165 -19.6329 -19.6329 -19.4260 -19.4260 -19.3554 -19.3554 -19.3255 -19.3255 -4.4210 -4.4210 -4.1180 -4.1180 -3.2103 -3.2103 -2.8196 -2.8196 -2.6820 -2.6820 -2.5933 -2.5933 -1.7221 -1.7221 -1.6482 -1.6482 -1.3482 -1.3482 -0.9849 -0.9849 -0.7428 -0.7428 -0.4682 -0.4682 -0.2609 -0.2609 0.0208 0.0208 0.0631 0.0631 0.2400 0.2400 0.2626 0.2626 0.3952 0.3952 2.0419 2.0419 2.3093 2.3093 2.5322 2.5322 5.4439 5.4439 5.6725 5.6725 12.9236 12.9236 13.4204 13.4204 14.2484 14.2484 k = 0.5662 0.2994-0.3764 ( 11737 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5747 -44.5747 -40.1773 -40.1773 -19.9280 -19.9280 -19.7176 -19.7176 -19.6351 -19.6351 -19.4248 -19.4248 -19.3556 -19.3556 -19.3238 -19.3238 -4.4164 -4.4164 -4.1226 -4.1226 -3.2109 -3.2109 -2.8215 -2.8215 -2.6890 -2.6890 -2.5973 -2.5973 -1.7180 -1.7180 -1.6376 -1.6376 -1.3499 -1.3499 -0.9725 -0.9725 -0.7361 -0.7361 -0.4683 -0.4683 -0.2620 -0.2620 0.0008 0.0008 0.0599 0.0599 0.2432 0.2432 0.2650 0.2650 0.3928 0.3928 2.0475 2.0475 2.3112 2.3112 2.5290 2.5290 5.4475 5.4475 5.6654 5.6654 12.9413 12.9413 13.4174 13.4174 14.1637 14.1637 k = 0.5757 0.3044-0.3634 ( 11727 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5747 -44.5747 -40.1772 -40.1772 -19.9272 -19.9272 -19.7187 -19.7187 -19.6376 -19.6376 -19.4236 -19.4236 -19.3560 -19.3560 -19.3217 -19.3217 -4.4110 -4.4110 -4.1279 -4.1279 -3.2113 -3.2113 -2.8237 -2.8237 -2.6970 -2.6970 -2.6015 -2.6015 -1.7155 -1.7155 -1.6241 -1.6241 -1.3518 -1.3518 -0.9584 -0.9584 -0.7288 -0.7288 -0.4682 -0.4682 -0.2631 -0.2631 -0.0217 -0.0217 0.0573 0.0573 0.2460 0.2460 0.2677 0.2677 0.3901 0.3901 2.0534 2.0534 2.3133 2.3133 2.5254 2.5254 5.4515 5.4515 5.6575 5.6575 12.9615 12.9615 13.4097 13.4097 14.0832 14.0832 k = 0.5851 0.3094-0.3505 ( 11733 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5747 -44.5747 -40.1773 -40.1773 -19.9264 -19.9264 -19.7198 -19.7198 -19.6403 -19.6403 -19.4223 -19.4223 -19.3566 -19.3566 -19.3193 -19.3193 -4.4051 -4.4051 -4.1338 -4.1338 -3.2114 -3.2114 -2.8263 -2.8263 -2.7059 -2.7059 -2.6058 -2.6058 -1.7145 -1.7145 -1.6082 -1.6082 -1.3540 -1.3540 -0.9426 -0.9426 -0.7209 -0.7209 -0.4679 -0.4679 -0.2644 -0.2644 -0.0459 -0.0459 0.0552 0.0552 0.2485 0.2485 0.2706 0.2706 0.3872 0.3872 2.0596 2.0596 2.3155 2.3155 2.5214 2.5214 5.4560 5.4560 5.6489 5.6489 12.9843 12.9843 13.3947 13.3947 14.0104 14.0104 k = 0.5946 0.3144-0.3375 ( 11732 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5747 -44.5747 -40.1773 -40.1773 -19.9257 -19.9257 -19.7209 -19.7209 -19.6431 -19.6431 -19.4209 -19.4209 -19.3574 -19.3574 -19.3165 -19.3165 -4.3986 -4.3986 -4.1403 -4.1403 -3.2113 -3.2113 -2.8292 -2.8292 -2.7156 -2.7156 -2.6101 -2.6101 -1.7148 -1.7148 -1.5905 -1.5905 -1.3564 -1.3564 -0.9252 -0.9252 -0.7127 -0.7127 -0.4672 -0.4672 -0.2658 -0.2658 -0.0712 -0.0712 0.0534 0.0534 0.2507 0.2507 0.2738 0.2738 0.3840 0.3840 2.0659 2.0659 2.3178 2.3178 2.5172 2.5172 5.4610 5.4610 5.6395 5.6395 13.0095 13.0095 13.3691 13.3691 13.9491 13.9491 k = 0.6040 0.3194-0.3246 ( 11734 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5747 -44.5747 -40.1773 -40.1773 -19.9251 -19.9251 -19.7220 -19.7220 -19.6460 -19.6460 -19.4195 -19.4195 -19.3584 -19.3584 -19.3134 -19.3134 -4.3915 -4.3915 -4.1473 -4.1473 -3.2108 -3.2108 -2.8326 -2.8326 -2.7258 -2.7258 -2.6143 -2.6143 -1.7161 -1.7161 -1.5717 -1.5717 -1.3590 -1.3590 -0.9063 -0.9063 -0.7044 -0.7044 -0.4660 -0.4660 -0.2673 -0.2673 -0.0971 -0.0971 0.0518 0.0518 0.2524 0.2524 0.2769 0.2769 0.3806 0.3806 2.0722 2.0722 2.3201 2.3201 2.5126 2.5126 5.4664 5.4664 5.6297 5.6297 13.0372 13.0372 13.3298 13.3298 13.9026 13.9026 k = 0.6135 0.3244-0.3116 ( 11747 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5747 -44.5747 -40.1773 -40.1773 -19.9248 -19.9248 -19.7229 -19.7229 -19.6490 -19.6490 -19.4181 -19.4181 -19.3594 -19.3594 -19.3100 -19.3100 -4.3840 -4.3840 -4.1548 -4.1548 -3.2099 -3.2099 -2.8365 -2.8365 -2.7364 -2.7364 -2.6185 -2.6185 -1.7183 -1.7183 -1.5524 -1.5524 -1.3617 -1.3617 -0.8860 -0.8860 -0.6963 -0.6963 -0.4641 -0.4641 -0.2689 -0.2689 -0.1231 -0.1231 0.0505 0.0505 0.2538 0.2538 0.2802 0.2802 0.3770 0.3770 2.0783 2.0783 2.3222 2.3222 2.5079 2.5079 5.4721 5.4721 5.6193 5.6193 13.0671 13.0671 13.2756 13.2756 13.8724 13.8724 k = 0.6229 0.3294-0.2987 ( 11741 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5747 -44.5747 -40.1773 -40.1773 -19.9247 -19.9247 -19.7236 -19.7236 -19.6520 -19.6520 -19.4168 -19.4168 -19.3604 -19.3604 -19.3065 -19.3065 -4.3759 -4.3759 -4.1626 -4.1626 -3.2087 -3.2087 -2.8410 -2.8410 -2.7471 -2.7471 -2.6225 -2.6225 -1.7211 -1.7211 -1.5334 -1.5334 -1.3642 -1.3642 -0.8645 -0.8645 -0.6888 -0.6888 -0.4612 -0.4612 -0.2706 -0.2706 -0.1487 -0.1487 0.0494 0.0494 0.2548 0.2548 0.2833 0.2833 0.3734 0.3734 2.0842 2.0842 2.3242 2.3242 2.5030 2.5030 5.4782 5.4782 5.6088 5.6088 13.0992 13.0992 13.2076 13.2076 13.8577 13.8577 k = 0.6324 0.3344-0.2857 ( 11743 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5746 -44.5746 -40.1773 -40.1773 -19.9250 -19.9250 -19.7241 -19.7241 -19.6550 -19.6550 -19.4155 -19.4155 -19.3614 -19.3614 -19.3028 -19.3028 -4.3675 -4.3675 -4.1706 -4.1706 -3.2072 -3.2072 -2.8464 -2.8464 -2.7576 -2.7576 -2.6263 -2.6263 -1.7246 -1.7246 -1.5152 -1.5152 -1.3665 -1.3665 -0.8418 -0.8418 -0.6821 -0.6821 -0.4570 -0.4570 -0.2725 -0.2725 -0.1734 -0.1734 0.0487 0.0487 0.2554 0.2554 0.2864 0.2864 0.3697 0.3697 2.0898 2.0898 2.3257 2.3257 2.4981 2.4981 5.4846 5.4846 5.5980 5.5980 13.1224 13.1224 13.1395 13.1395 13.8559 13.8559 k = 0.6324 0.3344-0.2857 ( 11743 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5746 -44.5746 -40.1773 -40.1773 -19.9250 -19.9250 -19.7241 -19.7241 -19.6550 -19.6550 -19.4155 -19.4155 -19.3614 -19.3614 -19.3028 -19.3028 -4.3675 -4.3675 -4.1706 -4.1706 -3.2072 -3.2072 -2.8464 -2.8464 -2.7576 -2.7576 -2.6263 -2.6263 -1.7246 -1.7246 -1.5152 -1.5152 -1.3665 -1.3665 -0.8418 -0.8418 -0.6821 -0.6821 -0.4570 -0.4570 -0.2725 -0.2725 -0.1734 -0.1734 0.0487 0.0487 0.2554 0.2554 0.2864 0.2864 0.3697 0.3697 2.0898 2.0898 2.3257 2.3257 2.4981 2.4981 5.4846 5.4846 5.5980 5.5980 13.1224 13.1224 13.1395 13.1395 13.8559 13.8559 k = 0.6278 0.3320-0.2696 ( 11739 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5746 -44.5746 -40.1773 -40.1773 -19.9256 -19.9256 -19.7243 -19.7243 -19.6564 -19.6564 -19.4142 -19.4142 -19.3625 -19.3625 -19.3008 -19.3008 -4.3639 -4.3639 -4.1752 -4.1752 -3.2014 -3.2014 -2.8517 -2.8517 -2.7649 -2.7649 -2.6258 -2.6258 -1.7173 -1.7173 -1.5087 -1.5087 -1.3680 -1.3680 -0.8251 -0.8251 -0.6770 -0.6770 -0.4613 -0.4613 -0.2788 -0.2788 -0.1905 -0.1905 0.0480 0.0480 0.2550 0.2550 0.2896 0.2896 0.3635 0.3635 2.0973 2.0973 2.3262 2.3262 2.4969 2.4969 5.4856 5.4856 5.5932 5.5932 13.0385 13.0385 13.1798 13.1798 13.8623 13.8623 k = 0.6233 0.3296-0.2535 ( 11737 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5746 -44.5746 -40.1773 -40.1773 -19.9268 -19.9268 -19.7243 -19.7243 -19.6577 -19.6577 -19.4136 -19.4136 -19.3627 -19.3627 -19.2986 -19.2986 -4.3599 -4.3599 -4.1798 -4.1798 -3.1951 -3.1951 -2.8584 -2.8584 -2.7733 -2.7733 -2.6247 -2.6247 -1.7098 -1.7098 -1.5033 -1.5033 -1.3695 -1.3695 -0.8096 -0.8096 -0.6682 -0.6682 -0.4648 -0.4648 -0.2852 -0.2852 -0.2075 -0.2075 0.0475 0.0475 0.2540 0.2540 0.2926 0.2926 0.3574 0.3574 2.1050 2.1050 2.3261 2.3261 2.4953 2.4953 5.4867 5.4867 5.5885 5.5885 12.9535 12.9535 13.1990 13.1990 13.8942 13.8942 k = 0.6187 0.3272-0.2374 ( 11741 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5746 -44.5746 -40.1773 -40.1773 -19.9285 -19.9285 -19.7242 -19.7242 -19.6590 -19.6590 -19.4137 -19.4137 -19.3619 -19.3619 -19.2962 -19.2962 -4.3557 -4.3557 -4.1845 -4.1845 -3.1884 -3.1884 -2.8661 -2.8661 -2.7826 -2.7826 -2.6231 -2.6231 -1.7023 -1.7023 -1.4992 -1.4992 -1.3711 -1.3711 -0.7962 -0.7962 -0.6550 -0.6550 -0.4677 -0.4677 -0.2914 -0.2914 -0.2239 -0.2239 0.0473 0.0473 0.2522 0.2522 0.2955 0.2955 0.3516 0.3516 2.1130 2.1130 2.3255 2.3255 2.4933 2.4933 5.4878 5.4878 5.5839 5.5839 12.8701 12.8701 13.1961 13.1961 13.9501 13.9501 k = 0.6141 0.3248-0.2213 ( 11740 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5746 -44.5746 -40.1773 -40.1773 -19.9307 -19.9307 -19.7238 -19.7238 -19.6603 -19.6603 -19.4147 -19.4147 -19.3601 -19.3601 -19.2938 -19.2938 -4.3513 -4.3513 -4.1892 -4.1892 -3.1815 -3.1815 -2.8747 -2.8747 -2.7924 -2.7924 -2.6211 -2.6211 -1.6950 -1.6950 -1.4965 -1.4965 -1.3727 -1.3727 -0.7858 -0.7858 -0.6372 -0.6372 -0.4696 -0.4696 -0.2975 -0.2975 -0.2395 -0.2395 0.0474 0.0474 0.2493 0.2493 0.2982 0.2982 0.3464 0.3464 2.1210 2.1210 2.3244 2.3244 2.4909 2.4909 5.4889 5.4889 5.5796 5.5796 12.7884 12.7884 13.1760 13.1760 14.0249 14.0249 k = 0.6096 0.3224-0.2052 ( 11735 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5746 -44.5746 -40.1773 -40.1773 -19.9333 -19.9333 -19.7231 -19.7231 -19.6616 -19.6616 -19.4168 -19.4168 -19.3571 -19.3571 -19.2912 -19.2912 -4.3468 -4.3468 -4.1940 -4.1940 -3.1743 -3.1743 -2.8840 -2.8840 -2.8024 -2.8024 -2.6187 -2.6187 -1.6879 -1.6879 -1.4953 -1.4953 -1.3743 -1.3743 -0.7782 -0.7782 -0.6155 -0.6155 -0.4705 -0.4705 -0.3034 -0.3034 -0.2538 -0.2538 0.0479 0.0479 0.2453 0.2453 0.3006 0.3006 0.3419 0.3419 2.1291 2.1291 2.3227 2.3227 2.4882 2.4882 5.4901 5.4901 5.5754 5.5754 12.7086 12.7086 13.1443 13.1443 14.1130 14.1130 k = 0.6050 0.3200-0.1891 ( 11739 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5746 -44.5746 -40.1773 -40.1773 -19.9363 -19.9363 -19.7223 -19.7223 -19.6628 -19.6628 -19.4196 -19.4196 -19.3533 -19.3533 -19.2885 -19.2885 -4.3421 -4.3421 -4.1988 -4.1988 -3.1670 -3.1670 -2.8937 -2.8937 -2.8124 -2.8124 -2.6161 -2.6161 -1.6814 -1.6814 -1.4956 -1.4956 -1.3759 -1.3759 -0.7731 -0.7731 -0.5909 -0.5909 -0.4702 -0.4702 -0.3095 -0.3095 -0.2660 -0.2660 0.0487 0.0487 0.2399 0.2399 0.3026 0.3026 0.3382 0.3382 2.1371 2.1371 2.3205 2.3205 2.4852 2.4852 5.4913 5.4913 5.5713 5.5713 12.6308 12.6308 13.1053 13.1053 14.2103 14.2103 k = 0.6004 0.3175-0.1730 ( 11740 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5746 -44.5746 -40.1773 -40.1773 -19.9397 -19.9397 -19.7212 -19.7212 -19.6640 -19.6640 -19.4232 -19.4232 -19.3488 -19.3488 -19.2858 -19.2858 -4.3374 -4.3374 -4.2035 -4.2035 -3.1597 -3.1597 -2.9036 -2.9036 -2.8220 -2.8220 -2.6133 -2.6133 -1.6756 -1.6756 -1.4970 -1.4970 -1.3777 -1.3777 -0.7700 -0.7700 -0.5651 -0.5651 -0.4683 -0.4683 -0.3163 -0.3163 -0.2750 -0.2750 0.0499 0.0499 0.2333 0.2333 0.3042 0.3042 0.3354 0.3354 2.1451 2.1451 2.3178 2.3178 2.4819 2.4819 5.4926 5.4926 5.5675 5.5675 12.5551 12.5551 13.0620 13.0620 14.3137 14.3137 k = 0.5959 0.3151-0.1569 ( 11738 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5746 -44.5746 -40.1773 -40.1773 -19.9433 -19.9433 -19.7198 -19.7198 -19.6651 -19.6651 -19.4273 -19.4273 -19.3438 -19.3438 -19.2829 -19.2829 -4.3326 -4.3326 -4.2083 -4.2083 -3.1525 -3.1525 -2.9135 -2.9135 -2.8311 -2.8311 -2.6105 -2.6105 -1.6708 -1.6708 -1.4995 -1.4995 -1.3799 -1.3799 -0.7684 -0.7684 -0.5400 -0.5400 -0.4642 -0.4642 -0.3240 -0.3240 -0.2797 -0.2797 0.0515 0.0515 0.2254 0.2254 0.3056 0.3056 0.3333 0.3333 2.1528 2.1528 2.3146 2.3146 2.4784 2.4784 5.4940 5.4940 5.5638 5.5638 12.4818 12.4818 13.0163 13.0163 14.4212 14.4212 k = 0.5913 0.3127-0.1408 ( 11736 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5746 -44.5746 -40.1773 -40.1773 -19.9472 -19.9472 -19.7182 -19.7182 -19.6661 -19.6661 -19.4319 -19.4319 -19.3385 -19.3385 -19.2801 -19.2801 -4.3279 -4.3279 -4.2131 -4.2131 -3.1457 -3.1457 -2.9232 -2.9232 -2.8395 -2.8395 -2.6076 -2.6076 -1.6671 -1.6671 -1.5025 -1.5025 -1.3825 -1.3825 -0.7682 -0.7682 -0.5177 -0.5177 -0.4571 -0.4571 -0.3324 -0.3324 -0.2795 -0.2795 0.0535 0.0535 0.2164 0.2164 0.3066 0.3066 0.3317 0.3317 2.1602 2.1602 2.3109 2.3109 2.4748 2.4748 5.4954 5.4954 5.5603 5.5603 12.4108 12.4108 12.9695 12.9695 14.5317 14.5317 k = 0.5867 0.3103-0.1247 ( 11723 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5746 -44.5746 -40.1772 -40.1772 -19.9513 -19.9513 -19.7164 -19.7164 -19.6671 -19.6671 -19.4367 -19.4367 -19.3330 -19.3330 -19.2771 -19.2771 -4.3232 -4.3232 -4.2178 -4.2178 -3.1394 -3.1394 -2.9325 -2.9325 -2.8469 -2.8469 -2.6048 -2.6048 -1.6649 -1.6649 -1.5057 -1.5057 -1.3856 -1.3856 -0.7691 -0.7691 -0.5003 -0.5003 -0.4462 -0.4462 -0.3410 -0.3410 -0.2739 -0.2739 0.0559 0.0559 0.2066 0.2066 0.3073 0.3073 0.3305 0.3305 2.1672 2.1672 2.3068 2.3068 2.4710 2.4710 5.4969 5.4969 5.5570 5.5570 12.3424 12.3424 12.9226 12.9226 14.6443 14.6443 k = 0.5822 0.3079-0.1086 ( 11726 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5746 -44.5746 -40.1772 -40.1772 -19.9555 -19.9555 -19.7143 -19.7143 -19.6680 -19.6680 -19.4418 -19.4418 -19.3274 -19.3274 -19.2742 -19.2742 -4.3187 -4.3187 -4.2225 -4.2225 -3.1338 -3.1338 -2.9410 -2.9410 -2.8533 -2.8533 -2.6020 -2.6020 -1.6644 -1.6644 -1.5088 -1.5088 -1.3893 -1.3893 -0.7712 -0.7712 -0.4881 -0.4881 -0.4329 -0.4329 -0.3490 -0.3490 -0.2627 -0.2627 0.0588 0.0588 0.1962 0.1962 0.3077 0.3077 0.3296 0.3296 2.1738 2.1738 2.3023 2.3023 2.4672 2.4672 5.4985 5.4985 5.5538 5.5538 12.2766 12.2766 12.8760 12.8760 14.7582 14.7582 k = 0.5776 0.3055-0.0924 ( 11715 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5746 -44.5746 -40.1772 -40.1772 -19.9598 -19.9598 -19.7121 -19.7121 -19.6688 -19.6688 -19.4471 -19.4471 -19.3219 -19.3219 -19.2712 -19.2712 -4.3144 -4.3144 -4.2272 -4.2272 -3.1292 -3.1292 -2.9485 -2.9485 -2.8586 -2.8586 -2.5993 -2.5993 -1.6656 -1.6656 -1.5114 -1.5114 -1.3937 -1.3937 -0.7744 -0.7744 -0.4789 -0.4789 -0.4200 -0.4200 -0.3560 -0.3560 -0.2458 -0.2458 0.0620 0.0620 0.1854 0.1854 0.3078 0.3078 0.3287 0.3287 2.1797 2.1797 2.2976 2.2976 2.4634 2.4634 5.5002 5.5002 5.5508 5.5508 12.2137 12.2137 12.8303 12.8303 14.8732 14.8732 k = 0.5730 0.3031-0.0763 ( 11718 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5746 -44.5746 -40.1772 -40.1772 -19.9641 -19.9641 -19.7096 -19.7096 -19.6696 -19.6696 -19.4525 -19.4525 -19.3164 -19.3164 -19.2682 -19.2682 -4.3102 -4.3102 -4.2317 -4.2317 -3.1256 -3.1256 -2.9548 -2.9548 -2.8629 -2.8629 -2.5967 -2.5967 -1.6688 -1.6688 -1.5132 -1.5132 -1.3986 -1.3986 -0.7787 -0.7787 -0.4711 -0.4711 -0.4093 -0.4093 -0.3617 -0.3617 -0.2238 -0.2238 0.0655 0.0655 0.1744 0.1744 0.3076 0.3076 0.3278 0.3278 2.1849 2.1849 2.2927 2.2927 2.4596 2.4596 5.5020 5.5020 5.5480 5.5480 12.1536 12.1536 12.7858 12.7858 14.9888 14.9888 k = 0.5685 0.3006-0.0602 ( 11726 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5746 -44.5746 -40.1773 -40.1773 -19.9684 -19.9684 -19.7071 -19.7071 -19.6703 -19.6703 -19.4579 -19.4579 -19.3112 -19.3112 -19.2653 -19.2653 -4.3062 -4.3062 -4.2362 -4.2362 -3.1234 -3.1234 -2.9596 -2.9596 -2.8660 -2.8660 -2.5942 -2.5942 -1.6738 -1.6738 -1.5142 -1.5142 -1.4040 -1.4040 -0.7840 -0.7840 -0.4636 -0.4636 -0.4013 -0.4013 -0.3662 -0.3662 -0.1979 -0.1979 0.0692 0.0692 0.1636 0.1636 0.3071 0.3071 0.3267 0.3267 2.1891 2.1891 2.2879 2.2879 2.4560 2.4560 5.5038 5.5038 5.5453 5.5453 12.0965 12.0965 12.7429 12.7429 15.1048 15.1048 k = 0.5639 0.2982-0.0441 ( 11719 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5746 -44.5746 -40.1772 -40.1772 -19.9726 -19.9726 -19.7043 -19.7043 -19.6709 -19.6709 -19.4634 -19.4634 -19.3062 -19.3062 -19.2623 -19.2623 -4.3025 -4.3025 -4.2405 -4.2405 -3.1226 -3.1226 -2.9630 -2.9630 -2.8681 -2.8681 -2.5918 -2.5918 -1.6804 -1.6804 -1.5144 -1.5144 -1.4098 -1.4098 -0.7902 -0.7902 -0.4561 -0.4561 -0.3956 -0.3956 -0.3692 -0.3692 -0.1695 -0.1695 0.0730 0.0730 0.1533 0.1533 0.3063 0.3063 0.3256 0.3256 2.1924 2.1924 2.2834 2.2834 2.4525 2.4525 5.5057 5.5057 5.5428 5.5428 12.0426 12.0426 12.7018 12.7018 15.2207 15.2207 k = 0.5593 0.2958-0.0280 ( 11720 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5746 -44.5746 -40.1772 -40.1772 -19.9767 -19.9767 -19.7015 -19.7015 -19.6715 -19.6715 -19.4688 -19.4688 -19.3014 -19.3014 -19.2594 -19.2594 -4.2990 -4.2990 -4.2446 -4.2446 -3.1230 -3.1230 -2.9650 -2.9650 -2.8691 -2.8691 -2.5895 -2.5895 -1.6884 -1.6884 -1.5140 -1.5140 -1.4159 -1.4159 -0.7971 -0.7971 -0.4484 -0.4484 -0.3915 -0.3915 -0.3710 -0.3710 -0.1400 -0.1400 0.0767 0.0767 0.1438 0.1438 0.3053 0.3053 0.3242 0.3242 2.1944 2.1944 2.2792 2.2792 2.4491 2.4491 5.5077 5.5077 5.5405 5.5405 11.9919 11.9919 12.6626 12.6626 15.3364 15.3364 k = 0.5548 0.2934-0.0119 ( 11720 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5746 -44.5746 -40.1772 -40.1772 -19.9806 -19.9806 -19.6987 -19.6987 -19.6720 -19.6720 -19.4742 -19.4742 -19.2970 -19.2970 -19.2565 -19.2565 -4.2958 -4.2958 -4.2486 -4.2486 -3.1247 -3.1247 -2.9656 -2.9656 -2.8693 -2.8693 -2.5873 -2.5873 -1.6973 -1.6973 -1.5131 -1.5131 -1.4220 -1.4220 -0.8046 -0.8046 -0.4406 -0.4406 -0.3887 -0.3887 -0.3715 -0.3715 -0.1105 -0.1105 0.0799 0.0799 0.1359 0.1359 0.3039 0.3039 0.3226 0.3226 2.1952 2.1952 2.2757 2.2757 2.4461 2.4461 5.5096 5.5096 5.5383 5.5383 11.9445 11.9445 12.6256 12.6256 15.4515 15.4515 k = 0.5502 0.2910 0.0042 ( 11723 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5746 -44.5746 -40.1773 -40.1773 -19.9844 -19.9844 -19.6958 -19.6958 -19.6724 -19.6724 -19.4794 -19.4794 -19.2929 -19.2929 -19.2537 -19.2537 -4.2929 -4.2929 -4.2523 -4.2523 -3.1273 -3.1273 -2.9651 -2.9651 -2.8686 -2.8686 -2.5852 -2.5852 -1.7070 -1.7070 -1.5119 -1.5119 -1.4281 -1.4281 -0.8124 -0.8124 -0.4326 -0.4326 -0.3868 -0.3868 -0.3711 -0.3711 -0.0820 -0.0820 0.0821 0.0821 0.1302 0.1302 0.3024 0.3024 0.3207 0.3207 2.1947 2.1947 2.2729 2.2729 2.4432 2.4432 5.5116 5.5116 5.5363 5.5363 11.9005 11.9005 12.5910 12.5910 15.5658 15.5658 k = 0.5457 0.2886 0.0203 ( 11721 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5746 -44.5746 -40.1773 -40.1773 -19.9879 -19.9879 -19.6929 -19.6929 -19.6728 -19.6728 -19.4844 -19.4844 -19.2892 -19.2892 -19.2510 -19.2510 -4.2903 -4.2903 -4.2557 -4.2557 -3.1306 -3.1306 -2.9638 -2.9638 -2.8672 -2.8672 -2.5833 -2.5833 -1.7170 -1.7170 -1.5106 -1.5106 -1.4340 -1.4340 -0.8203 -0.8203 -0.4246 -0.4246 -0.3853 -0.3853 -0.3700 -0.3700 -0.0556 -0.0556 0.0831 0.0831 0.1275 0.1275 0.3006 0.3006 0.3188 0.3188 2.1929 2.1929 2.2709 2.2709 2.4407 2.4407 5.5135 5.5135 5.5344 5.5344 11.8600 11.8600 12.5589 12.5589 15.6787 15.6787 k = 0.5411 0.2862 0.0364 ( 11726 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5746 -44.5746 -40.1773 -40.1773 -19.9912 -19.9912 -19.6900 -19.6900 -19.6732 -19.6732 -19.4893 -19.4893 -19.2859 -19.2859 -19.2484 -19.2484 -4.2881 -4.2881 -4.2588 -4.2588 -3.1343 -3.1343 -2.9619 -2.9619 -2.8653 -2.8653 -2.5814 -2.5814 -1.7270 -1.7270 -1.5095 -1.5095 -1.4395 -1.4395 -0.8282 -0.8282 -0.4167 -0.4167 -0.3839 -0.3839 -0.3686 -0.3686 -0.0325 -0.0325 0.0835 0.0835 0.1278 0.1278 0.2986 0.2986 0.3166 0.3166 2.1901 2.1901 2.2695 2.2695 2.4384 2.4384 5.5154 5.5154 5.5327 5.5327 11.8232 11.8232 12.5294 12.5294 15.7899 15.7899 k = 0.5365 0.2837 0.0525 ( 11738 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5746 -44.5746 -40.1773 -40.1773 -19.9942 -19.9942 -19.6873 -19.6873 -19.6735 -19.6735 -19.4938 -19.4938 -19.2829 -19.2829 -19.2460 -19.2460 -4.2862 -4.2862 -4.2615 -4.2615 -3.1382 -3.1382 -2.9597 -2.9597 -2.8630 -2.8630 -2.5797 -2.5797 -1.7367 -1.7367 -1.5086 -1.5086 -1.4444 -1.4444 -0.8358 -0.8358 -0.4092 -0.4092 -0.3826 -0.3826 -0.3670 -0.3670 -0.0142 -0.0142 0.0852 0.0852 0.1305 0.1305 0.2964 0.2964 0.3143 0.3143 2.1866 2.1866 2.2687 2.2687 2.4364 2.4364 5.5172 5.5172 5.5311 5.5311 11.7900 11.7900 12.5027 12.5027 15.8986 15.8986 k = 0.5320 0.2813 0.0686 ( 11743 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5745 -44.5745 -40.1773 -40.1773 -19.9969 -19.9969 -19.6846 -19.6846 -19.6737 -19.6737 -19.4980 -19.4980 -19.2803 -19.2803 -19.2437 -19.2437 -4.2847 -4.2847 -4.2639 -4.2639 -3.1420 -3.1420 -2.9573 -2.9573 -2.8605 -2.8605 -2.5781 -2.5781 -1.7459 -1.7459 -1.5081 -1.5081 -1.4486 -1.4486 -0.8429 -0.8429 -0.4021 -0.4021 -0.3813 -0.3813 -0.3654 -0.3654 -0.0019 -0.0019 0.0899 0.0899 0.1347 0.1347 0.2942 0.2942 0.3120 0.3120 2.1826 2.1826 2.2683 2.2683 2.4348 2.4348 5.5189 5.5189 5.5298 5.5298 11.7605 11.7605 12.4789 12.4789 16.0040 16.0040 k = 0.5274 0.2789 0.0847 ( 11743 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5745 -44.5745 -40.1773 -40.1773 -19.9993 -19.9993 -19.6822 -19.6822 -19.6740 -19.6740 -19.5018 -19.5018 -19.2781 -19.2781 -19.2417 -19.2417 -4.2837 -4.2837 -4.2657 -4.2657 -3.1456 -3.1456 -2.9550 -2.9550 -2.8579 -2.8579 -2.5766 -2.5766 -1.7544 -1.7544 -1.5080 -1.5080 -1.4521 -1.4521 -0.8494 -0.8494 -0.3957 -0.3957 -0.3800 -0.3800 -0.3638 -0.3638 0.0043 0.0043 0.0980 0.0980 0.1399 0.1399 0.2918 0.2918 0.3097 0.3097 2.1786 2.1786 2.2681 2.2681 2.4334 2.4334 5.5204 5.5204 5.5286 5.5286 11.7348 11.7348 12.4580 12.4580 16.1048 16.1048 k = 0.5228 0.2765 0.1008 ( 11756 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5745 -44.5745 -40.1773 -40.1773 -20.0013 -20.0013 -19.6800 -19.6800 -19.6741 -19.6741 -19.5052 -19.5052 -19.2762 -19.2762 -19.2400 -19.2400 -4.2831 -4.2831 -4.2670 -4.2670 -3.1488 -3.1488 -2.9529 -2.9529 -2.8555 -2.8555 -2.5754 -2.5754 -1.7619 -1.7619 -1.5083 -1.5083 -1.4547 -1.4547 -0.8552 -0.8552 -0.3902 -0.3902 -0.3786 -0.3786 -0.3623 -0.3623 0.0061 0.0061 0.1077 0.1077 0.1456 0.1456 0.2895 0.2895 0.3075 0.3075 2.1747 2.1747 2.2681 2.2681 2.4323 2.4323 5.5217 5.5217 5.5276 5.5276 11.7130 11.7130 12.4402 12.4402 16.1992 16.1992 k = 0.5183 0.2741 0.1169 ( 11756 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5745 -44.5745 -40.1773 -40.1773 -20.0030 -20.0030 -19.6782 -19.6782 -19.6743 -19.6743 -19.5080 -19.5080 -19.2747 -19.2747 -19.2385 -19.2385 -4.2828 -4.2828 -4.2679 -4.2679 -3.1516 -3.1516 -2.9510 -2.9510 -2.8533 -2.8533 -2.5743 -2.5743 -1.7682 -1.7682 -1.5088 -1.5088 -1.4567 -1.4567 -0.8600 -0.8600 -0.3857 -0.3857 -0.3773 -0.3773 -0.3609 -0.3609 0.0054 0.0054 0.1172 0.1172 0.1515 0.1515 0.2873 0.2873 0.3055 0.3055 2.1712 2.1712 2.2682 2.2682 2.4314 2.4314 5.5228 5.5228 5.5268 5.5268 11.6951 11.6951 12.4255 12.4255 16.2848 16.2848 k = 0.5137 0.2717 0.1330 ( 11772 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5745 -44.5745 -40.1773 -40.1773 -20.0043 -20.0043 -19.6766 -19.6766 -19.6744 -19.6744 -19.5103 -19.5103 -19.2736 -19.2736 -19.2373 -19.2373 -4.2828 -4.2828 -4.2684 -4.2684 -3.1538 -3.1538 -2.9495 -2.9495 -2.8514 -2.8514 -2.5734 -2.5734 -1.7734 -1.7734 -1.5094 -1.5094 -1.4581 -1.4581 -0.8639 -0.8639 -0.3824 -0.3824 -0.3759 -0.3759 -0.3597 -0.3597 0.0039 0.0039 0.1251 0.1251 0.1572 0.1572 0.2853 0.2853 0.3037 0.3037 2.1683 2.1683 2.2682 2.2682 2.4307 2.4307 5.5236 5.5236 5.5263 5.5263 11.6811 11.6811 12.4140 12.4140 16.3580 16.3580 k = 0.5091 0.2693 0.1492 ( 11763 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5745 -44.5745 -40.1773 -40.1773 -20.0053 -20.0053 -19.6755 -19.6755 -19.6745 -19.6745 -19.5120 -19.5120 -19.2727 -19.2727 -19.2365 -19.2365 -4.2829 -4.2829 -4.2687 -4.2687 -3.1555 -3.1555 -2.9484 -2.9484 -2.8500 -2.8500 -2.5728 -2.5728 -1.7771 -1.7771 -1.5100 -1.5100 -1.4589 -1.4589 -0.8667 -0.8667 -0.3804 -0.3804 -0.3746 -0.3746 -0.3587 -0.3587 0.0023 0.0023 0.1306 0.1306 0.1621 0.1621 0.2837 0.2837 0.3024 0.3024 2.1661 2.1661 2.2683 2.2683 2.4303 2.4303 5.5240 5.5240 5.5260 5.5260 11.6711 11.6711 12.4058 12.4058 16.4144 16.4144 k = 0.5046 0.2668 0.1653 ( 11745 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5745 -44.5745 -40.1773 -40.1773 -20.0058 -20.0058 -19.6748 -19.6748 -19.6745 -19.6745 -19.5130 -19.5130 -19.2723 -19.2723 -19.2359 -19.2359 -4.2830 -4.2830 -4.2688 -4.2688 -3.1564 -3.1564 -2.9477 -2.9477 -2.8492 -2.8492 -2.5724 -2.5724 -1.7794 -1.7794 -1.5104 -1.5104 -1.4594 -1.4594 -0.8685 -0.8685 -0.3793 -0.3793 -0.3736 -0.3736 -0.3581 -0.3581 0.0011 0.0011 0.1339 0.1339 0.1654 0.1654 0.2827 0.2827 0.3016 0.3016 2.1647 2.1647 2.2684 2.2684 2.4300 2.4300 5.5242 5.5242 5.5259 5.5259 11.6651 11.6651 12.4008 12.4008 16.4491 16.4491 k = 0.5000 0.2644 0.1814 ( 11728 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5745 -44.5745 -40.1773 -40.1773 -20.0060 -20.0060 -19.6746 -19.6746 -19.6745 -19.6745 -19.5133 -19.5133 -19.2721 -19.2721 -19.2358 -19.2358 -4.2831 -4.2831 -4.2688 -4.2688 -3.1568 -3.1568 -2.9475 -2.9475 -2.8489 -2.8489 -2.5723 -2.5723 -1.7801 -1.7801 -1.5105 -1.5105 -1.4595 -1.4595 -0.8690 -0.8690 -0.3790 -0.3790 -0.3732 -0.3732 -0.3579 -0.3579 0.0007 0.0007 0.1350 0.1350 0.1666 0.1666 0.2823 0.2823 0.3013 0.3013 2.1643 2.1643 2.2684 2.2684 2.4299 2.4299 5.5242 5.5242 5.5260 5.5260 11.6631 11.6631 12.3992 12.3992 16.4604 16.4604 k = 0.5000-0.3405-0.2335 ( 11734 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6126 -44.6126 -44.5747 -44.5747 -40.1772 -40.1772 -19.9758 -19.9758 -19.7047 -19.7047 -19.6690 -19.6690 -19.4877 -19.4877 -19.2952 -19.2952 -19.2426 -19.2426 -4.2765 -4.2765 -4.1981 -4.1981 -3.3172 -3.3172 -3.0154 -3.0154 -2.7614 -2.7614 -2.6042 -2.6042 -2.0674 -2.0674 -1.6097 -1.6097 -1.2290 -1.2290 -0.8875 -0.8875 -0.5024 -0.5024 -0.2716 -0.2716 -0.0389 -0.0389 0.0767 0.0767 0.1463 0.1463 0.2121 0.2121 0.2795 0.2795 0.3651 0.3651 1.9892 1.9892 2.2009 2.2009 2.4509 2.4509 5.4641 5.4641 5.6150 5.6150 12.1845 12.1845 12.7595 12.7595 15.5863 15.5863 k = 0.5106-0.3299-0.2263 ( 11736 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6126 -44.6126 -44.5747 -44.5747 -40.1772 -40.1772 -19.9756 -19.9756 -19.7046 -19.7046 -19.6691 -19.6691 -19.4875 -19.4875 -19.2954 -19.2954 -19.2428 -19.2428 -4.2763 -4.2763 -4.1985 -4.1985 -3.3168 -3.3168 -3.0151 -3.0151 -2.7616 -2.7616 -2.6044 -2.6044 -2.0663 -2.0663 -1.6089 -1.6089 -1.2295 -1.2295 -0.8873 -0.8873 -0.5023 -0.5023 -0.2721 -0.2721 -0.0397 -0.0397 0.0755 0.0755 0.1450 0.1450 0.2124 0.2124 0.2797 0.2797 0.3653 0.3653 1.9897 1.9897 2.2016 2.2016 2.4508 2.4508 5.4644 5.4644 5.6147 5.6147 12.1861 12.1861 12.7607 12.7607 15.5816 15.5816 k = 0.5212-0.3193-0.2190 ( 11738 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6126 -44.6126 -44.5747 -44.5747 -40.1772 -40.1772 -19.9751 -19.9751 -19.7046 -19.7046 -19.6695 -19.6695 -19.4866 -19.4866 -19.2958 -19.2958 -19.2433 -19.2433 -4.2757 -4.2757 -4.1995 -4.1995 -3.3157 -3.3157 -3.0143 -3.0143 -2.7622 -2.7622 -2.6050 -2.6050 -2.0633 -2.0633 -1.6064 -1.6064 -1.2310 -1.2310 -0.8866 -0.8866 -0.5021 -0.5021 -0.2733 -0.2733 -0.0423 -0.0423 0.0719 0.0719 0.1413 0.1413 0.2134 0.2134 0.2802 0.2802 0.3659 0.3659 1.9910 1.9910 2.2038 2.2038 2.4507 2.4507 5.4653 5.4653 5.6138 5.6138 12.1910 12.1910 12.7645 12.7645 15.5676 15.5676 k = 0.5318-0.3088-0.2118 ( 11740 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6126 -44.6126 -44.5747 -44.5747 -40.1772 -40.1772 -19.9743 -19.9743 -19.7046 -19.7046 -19.6702 -19.6702 -19.4853 -19.4853 -19.2966 -19.2966 -19.2442 -19.2442 -4.2748 -4.2748 -4.2013 -4.2013 -3.3139 -3.3139 -3.0129 -3.0129 -2.7631 -2.7631 -2.6059 -2.6059 -2.0584 -2.0584 -1.6023 -1.6023 -1.2335 -1.2335 -0.8854 -0.8854 -0.5018 -0.5018 -0.2754 -0.2754 -0.0467 -0.0467 0.0659 0.0659 0.1357 0.1357 0.2149 0.2149 0.2811 0.2811 0.3668 0.3668 1.9931 1.9931 2.2072 2.2072 2.4504 2.4504 5.4666 5.4666 5.6123 5.6123 12.1992 12.1992 12.7708 12.7708 15.5444 15.5444 k = 0.5424-0.2982-0.2045 ( 11742 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6126 -44.6126 -44.5747 -44.5747 -40.1772 -40.1772 -19.9732 -19.9732 -19.7045 -19.7045 -19.6711 -19.6711 -19.4835 -19.4835 -19.2977 -19.2977 -19.2454 -19.2454 -4.2736 -4.2736 -4.2038 -4.2038 -3.3114 -3.3114 -3.0109 -3.0109 -2.7644 -2.7644 -2.6072 -2.6072 -2.0515 -2.0515 -1.5968 -1.5968 -1.2370 -1.2370 -0.8838 -0.8838 -0.5014 -0.5014 -0.2783 -0.2783 -0.0529 -0.0529 0.0574 0.0574 0.1285 0.1285 0.2168 0.2168 0.2822 0.2822 0.3680 0.3680 1.9960 1.9960 2.2120 2.2120 2.4501 2.4501 5.4686 5.4686 5.6102 5.6102 12.2106 12.2106 12.7795 12.7795 15.5119 15.5119 k = 0.5530-0.2876-0.1973 ( 11746 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6126 -44.6126 -44.5747 -44.5747 -40.1772 -40.1772 -19.9717 -19.9717 -19.7045 -19.7045 -19.6722 -19.6722 -19.4812 -19.4812 -19.2991 -19.2991 -19.2469 -19.2469 -4.2721 -4.2721 -4.2068 -4.2068 -3.3082 -3.3082 -3.0082 -3.0082 -2.7659 -2.7659 -2.6089 -2.6089 -2.0429 -2.0429 -1.5898 -1.5898 -1.2415 -1.2415 -0.8817 -0.8817 -0.5011 -0.5011 -0.2819 -0.2819 -0.0609 -0.0609 0.0463 0.0463 0.1204 0.1204 0.2191 0.2191 0.2835 0.2835 0.3694 0.3694 1.9997 1.9997 2.2179 2.2179 2.4498 2.4498 5.4710 5.4710 5.6075 5.6075 12.2253 12.2253 12.7906 12.7906 15.4699 15.4699 k = 0.5635-0.2770-0.1900 ( 11748 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6126 -44.6126 -44.5747 -44.5747 -40.1772 -40.1772 -19.9700 -19.9700 -19.7046 -19.7046 -19.6733 -19.6733 -19.4784 -19.4784 -19.3008 -19.3008 -19.2487 -19.2487 -4.2704 -4.2704 -4.2104 -4.2104 -3.3043 -3.3043 -3.0049 -3.0049 -2.7677 -2.7677 -2.6107 -2.6107 -2.0325 -2.0325 -1.5814 -1.5814 -1.2470 -1.2470 -0.8790 -0.8790 -0.5008 -0.5008 -0.2862 -0.2862 -0.0706 -0.0706 0.0327 0.0327 0.1121 0.1121 0.2216 0.2216 0.2849 0.2849 0.3709 0.3709 2.0039 2.0039 2.2248 2.2248 2.4494 2.4494 5.4740 5.4740 5.6043 5.6043 12.2431 12.2431 12.8041 12.8041 15.4176 15.4176 k = 0.5741-0.2665-0.1828 ( 11742 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6126 -44.6126 -44.5747 -44.5747 -40.1772 -40.1772 -19.9680 -19.9680 -19.7049 -19.7049 -19.6744 -19.6744 -19.4753 -19.4753 -19.3029 -19.3029 -19.2508 -19.2508 -4.2686 -4.2686 -4.2144 -4.2144 -3.2999 -3.2999 -3.0009 -3.0009 -2.7697 -2.7697 -2.6129 -2.6129 -2.0206 -2.0206 -1.5719 -1.5719 -1.2535 -1.2535 -0.8759 -0.8759 -0.5009 -0.5009 -0.2911 -0.2911 -0.0822 -0.0822 0.0166 0.0166 0.1040 0.1040 0.2243 0.2243 0.2863 0.2863 0.3725 0.3725 2.0088 2.0088 2.2326 2.2326 2.4490 2.4490 5.4775 5.4775 5.6006 5.6006 12.2642 12.2642 12.8199 12.8199 15.3547 15.3547 k = 0.5847-0.2559-0.1755 ( 11744 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6126 -44.6126 -44.5747 -44.5747 -40.1772 -40.1772 -19.9657 -19.9657 -19.7053 -19.7053 -19.6754 -19.6754 -19.4719 -19.4719 -19.3052 -19.3052 -19.2531 -19.2531 -4.2670 -4.2670 -4.2184 -4.2184 -3.2950 -3.2950 -2.9962 -2.9962 -2.7718 -2.7718 -2.6151 -2.6151 -2.0073 -2.0073 -1.5614 -1.5614 -1.2609 -1.2609 -0.8722 -0.8722 -0.5013 -0.5013 -0.2966 -0.2966 -0.0953 -0.0953 -0.0017 -0.0017 0.0964 0.0964 0.2272 0.2272 0.2877 0.2877 0.3740 0.3740 2.0141 2.0141 2.2411 2.2411 2.4486 2.4486 5.4814 5.4814 5.5964 5.5964 12.2884 12.2884 12.8380 12.8380 15.2813 15.2813 k = 0.5953-0.2453-0.1683 ( 11746 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6126 -44.6126 -44.5747 -44.5747 -40.1772 -40.1772 -19.9632 -19.9632 -19.7059 -19.7059 -19.6762 -19.6762 -19.4682 -19.4682 -19.3079 -19.3079 -19.2556 -19.2556 -4.2659 -4.2659 -4.2223 -4.2223 -3.2896 -3.2896 -2.9906 -2.9906 -2.7739 -2.7739 -2.6176 -2.6176 -1.9927 -1.9927 -1.5501 -1.5501 -1.2692 -1.2692 -0.8681 -0.8681 -0.5025 -0.5025 -0.3025 -0.3025 -0.1100 -0.1100 -0.0216 -0.0216 0.0894 0.0894 0.2300 0.2300 0.2889 0.2889 0.3755 0.3755 2.0198 2.0198 2.2501 2.2501 2.4484 2.4484 5.4859 5.4859 5.5917 5.5917 12.3158 12.3158 12.8582 12.8582 15.1987 15.1987 k = 0.6059-0.2347-0.1610 ( 11750 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6126 -44.6126 -44.5747 -44.5747 -40.1772 -40.1772 -19.9605 -19.9605 -19.7068 -19.7068 -19.6766 -19.6766 -19.4643 -19.4643 -19.3109 -19.3109 -19.2583 -19.2583 -4.2656 -4.2656 -4.2255 -4.2255 -3.2839 -3.2839 -2.9842 -2.9842 -2.7760 -2.7760 -2.6200 -2.6200 -1.9769 -1.9769 -1.5381 -1.5381 -1.2783 -1.2783 -0.8634 -0.8634 -0.5047 -0.5047 -0.3087 -0.3087 -0.1258 -0.1258 -0.0427 -0.0427 0.0832 0.0832 0.2329 0.2329 0.2901 0.2901 0.3768 0.3768 2.0257 2.0257 2.2593 2.2593 2.4483 2.4483 5.4907 5.4907 5.5866 5.5866 12.3462 12.3462 12.8805 12.8805 15.1088 15.1088 k = 0.6165-0.2242-0.1537 ( 11746 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6126 -44.6126 -44.5747 -44.5747 -40.1772 -40.1772 -19.9577 -19.9577 -19.7080 -19.7080 -19.6768 -19.6768 -19.4601 -19.4601 -19.3141 -19.3141 -19.2611 -19.2611 -4.2669 -4.2669 -4.2274 -4.2274 -3.2779 -3.2779 -2.9770 -2.9770 -2.7781 -2.7781 -2.6226 -2.6226 -1.9603 -1.9603 -1.5258 -1.5258 -1.2882 -1.2882 -0.8583 -0.8583 -0.5083 -0.5083 -0.3152 -0.3152 -0.1426 -0.1426 -0.0644 -0.0644 0.0777 0.0777 0.2358 0.2358 0.2911 0.2911 0.3779 0.3779 2.0318 2.0318 2.2687 2.2687 2.4485 2.4485 5.4960 5.4960 5.5811 5.5811 12.3797 12.3797 12.9046 12.9046 15.0136 15.0136 k = 0.6271-0.2136-0.1465 ( 11749 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6126 -44.6126 -44.5747 -44.5747 -40.1772 -40.1772 -19.9547 -19.9547 -19.7094 -19.7094 -19.6765 -19.6765 -19.4559 -19.4559 -19.3177 -19.3177 -19.2641 -19.2641 -4.2701 -4.2701 -4.2276 -4.2276 -3.2718 -3.2718 -2.9688 -2.9688 -2.7799 -2.7799 -2.6250 -2.6250 -1.9428 -1.9428 -1.5133 -1.5133 -1.2988 -1.2988 -0.8529 -0.8529 -0.5135 -0.5135 -0.3218 -0.3218 -0.1598 -0.1598 -0.0861 -0.0861 0.0728 0.0728 0.2386 0.2386 0.2918 0.2918 0.3788 0.3788 2.0379 2.0379 2.2778 2.2778 2.4490 2.4490 5.5017 5.5017 5.5752 5.5752 12.4162 12.4162 12.9305 12.9305 14.9150 14.9150 k = 0.6377-0.2030-0.1392 ( 11749 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6126 -44.6126 -44.5747 -44.5747 -40.1772 -40.1772 -19.9516 -19.9516 -19.7110 -19.7110 -19.6760 -19.6760 -19.4515 -19.4515 -19.3215 -19.3215 -19.2671 -19.2671 -4.2749 -4.2749 -4.2262 -4.2262 -3.2656 -3.2656 -2.9597 -2.9597 -2.7816 -2.7816 -2.6275 -2.6275 -1.9247 -1.9247 -1.5009 -1.5009 -1.3098 -1.3098 -0.8471 -0.8471 -0.5209 -0.5209 -0.3285 -0.3285 -0.1770 -0.1770 -0.1072 -0.1072 0.0685 0.0685 0.2413 0.2413 0.2924 0.2924 0.3795 0.3795 2.0441 2.0441 2.2866 2.2866 2.4499 2.4499 5.5077 5.5077 5.5691 5.5691 12.4556 12.4556 12.9579 12.9579 14.8141 14.8141 k = 0.6483-0.1924-0.1320 ( 11752 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6126 -44.6126 -44.5747 -44.5747 -40.1772 -40.1772 -19.9485 -19.9485 -19.7128 -19.7128 -19.6751 -19.6751 -19.4472 -19.4472 -19.3255 -19.3255 -19.2702 -19.2702 -4.2812 -4.2812 -4.2235 -4.2235 -3.2594 -3.2594 -2.9498 -2.9498 -2.7830 -2.7830 -2.6297 -2.6297 -1.9062 -1.9062 -1.4891 -1.4891 -1.3212 -1.3212 -0.8411 -0.8411 -0.5306 -0.5306 -0.3354 -0.3354 -0.1934 -0.1934 -0.1274 -0.1274 0.0648 0.0648 0.2438 0.2438 0.2927 0.2927 0.3799 0.3799 2.0501 2.0501 2.2948 2.2948 2.4513 2.4513 5.5140 5.5140 5.5627 5.5627 12.4980 12.4980 12.9866 12.9866 14.7121 14.7121 k = 0.6589-0.1818-0.1247 ( 11751 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5747 -44.5747 -40.1772 -40.1772 -19.9453 -19.9453 -19.7145 -19.7145 -19.6740 -19.6740 -19.4428 -19.4428 -19.3298 -19.3298 -19.2734 -19.2734 -4.2884 -4.2884 -4.2200 -4.2200 -3.2533 -3.2533 -2.9390 -2.9390 -2.7841 -2.7841 -2.6318 -2.6318 -1.8874 -1.8874 -1.4782 -1.4782 -1.3326 -1.3326 -0.8351 -0.8351 -0.5428 -0.5428 -0.3428 -0.3428 -0.2085 -0.2085 -0.1460 -0.1460 0.0616 0.0616 0.2462 0.2462 0.2928 0.2928 0.3801 0.3801 2.0559 2.0559 2.3023 2.3023 2.4533 2.4533 5.5204 5.5204 5.5563 5.5563 12.5431 12.5431 13.0164 13.0164 14.6098 14.6098 k = 0.6695-0.1713-0.1175 ( 11751 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5747 -44.5747 -40.1773 -40.1773 -19.9422 -19.9422 -19.7163 -19.7163 -19.6726 -19.6726 -19.4385 -19.4385 -19.3341 -19.3341 -19.2765 -19.2765 -4.2961 -4.2961 -4.2159 -4.2159 -3.2474 -3.2474 -2.9276 -2.9276 -2.7848 -2.7848 -2.6337 -2.6337 -1.8685 -1.8685 -1.4687 -1.4687 -1.3436 -1.3436 -0.8292 -0.8292 -0.5575 -0.5575 -0.3509 -0.3509 -0.2214 -0.2214 -0.1628 -0.1628 0.0588 0.0588 0.2484 0.2484 0.2927 0.2927 0.3799 0.3799 2.0615 2.0615 2.3088 2.3088 2.4560 2.4560 5.5268 5.5268 5.5500 5.5500 12.5910 12.5910 13.0466 13.0466 14.5080 14.5080 k = 0.6801-0.1607-0.1102 ( 11746 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5747 -44.5747 -40.1772 -40.1772 -19.9392 -19.9392 -19.7180 -19.7180 -19.6711 -19.6711 -19.4343 -19.4343 -19.3384 -19.3384 -19.2797 -19.2797 -4.3043 -4.3043 -4.2114 -4.2114 -3.2418 -3.2418 -2.9157 -2.9157 -2.7850 -2.7850 -2.6353 -2.6353 -1.8497 -1.8497 -1.4613 -1.4613 -1.3536 -1.3536 -0.8238 -0.8238 -0.5741 -0.5741 -0.3602 -0.3602 -0.2319 -0.2319 -0.1773 -0.1773 0.0565 0.0565 0.2503 0.2503 0.2923 0.2923 0.3795 0.3795 2.0667 2.0667 2.3142 2.3142 2.4593 2.4593 5.5318 5.5318 5.5451 5.5451 12.6416 12.6416 13.0769 13.0769 14.4074 14.4074 k = 0.6906-0.1501-0.1030 ( 11740 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5747 -44.5747 -40.1772 -40.1772 -19.9364 -19.9364 -19.7195 -19.7195 -19.6693 -19.6693 -19.4304 -19.4304 -19.3428 -19.3428 -19.2828 -19.2828 -4.3126 -4.3126 -4.2066 -4.2066 -3.2364 -3.2364 -2.9036 -2.9036 -2.7846 -2.7846 -2.6364 -2.6364 -1.8312 -1.8312 -1.4568 -1.4568 -1.3619 -1.3619 -0.8190 -0.8190 -0.5922 -0.5922 -0.3708 -0.3708 -0.2398 -0.2398 -0.1891 -0.1891 0.0545 0.0545 0.2520 0.2520 0.2918 0.2918 0.3789 0.3789 2.0715 2.0715 2.3187 2.3187 2.4632 2.4632 5.5310 5.5310 5.5461 5.5461 12.6948 12.6948 13.1065 13.1065 14.3092 14.3092 k = 0.7012-0.1395-0.0957 ( 11728 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5747 -44.5747 -40.1772 -40.1772 -19.9337 -19.9337 -19.7209 -19.7209 -19.6675 -19.6675 -19.4267 -19.4267 -19.3470 -19.3470 -19.2859 -19.2859 -4.3210 -4.3210 -4.2016 -4.2016 -3.2313 -3.2313 -2.8917 -2.8917 -2.7834 -2.7834 -2.6372 -2.6372 -1.8131 -1.8131 -1.4563 -1.4563 -1.3677 -1.3677 -0.8154 -0.8154 -0.6108 -0.6108 -0.3828 -0.3828 -0.2457 -0.2457 -0.1976 -0.1976 0.0529 0.0529 0.2534 0.2534 0.2911 0.2911 0.3780 0.3780 2.0758 2.0758 2.3220 2.3220 2.4677 2.4677 5.5253 5.5253 5.5522 5.5522 12.7505 12.7505 13.1342 13.1342 14.2144 14.2144 k = 0.7118-0.1290-0.0885 ( 11730 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5747 -44.5747 -40.1772 -40.1772 -19.9314 -19.9314 -19.7221 -19.7221 -19.6656 -19.6656 -19.4233 -19.4233 -19.3509 -19.3509 -19.2890 -19.2890 -4.3294 -4.3294 -4.1965 -4.1965 -3.2265 -3.2265 -2.8803 -2.8803 -2.7814 -2.7814 -2.6373 -2.6373 -1.7957 -1.7957 -1.4599 -1.4599 -1.3706 -1.3706 -0.8135 -0.8135 -0.6289 -0.6289 -0.3957 -0.3957 -0.2505 -0.2505 -0.2023 -0.2023 0.0516 0.0516 0.2545 0.2545 0.2903 0.2903 0.3769 0.3769 2.0796 2.0796 2.3244 2.3244 2.4726 2.4726 5.5186 5.5186 5.5594 5.5594 12.8087 12.8087 13.1585 13.1585 14.1247 14.1247 k = 0.7224-0.1184-0.0812 ( 11734 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5747 -44.5747 -40.1772 -40.1772 -19.9293 -19.9293 -19.7230 -19.7230 -19.6635 -19.6635 -19.4204 -19.4204 -19.3544 -19.3544 -19.2919 -19.2919 -4.3376 -4.3376 -4.1913 -4.1913 -3.2221 -3.2221 -2.8700 -2.8700 -2.7783 -2.7783 -2.6368 -2.6368 -1.7791 -1.7791 -1.4673 -1.4673 -1.3712 -1.3712 -0.8138 -0.8138 -0.6453 -0.6453 -0.4091 -0.4091 -0.2551 -0.2551 -0.2028 -0.2028 0.0506 0.0506 0.2553 0.2553 0.2894 0.2894 0.3756 0.3756 2.0828 2.0828 2.3259 2.3259 2.4777 2.4777 5.5116 5.5116 5.5669 5.5669 12.8692 12.8692 13.1772 13.1772 14.0426 14.0426 k = 0.7330-0.1078-0.0739 ( 11742 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5747 -44.5747 -40.1773 -40.1773 -19.9276 -19.9276 -19.7236 -19.7236 -19.6615 -19.6615 -19.4182 -19.4182 -19.3573 -19.3573 -19.2948 -19.2948 -4.3456 -4.3456 -4.1861 -4.1861 -3.2179 -3.2179 -2.8613 -2.8613 -2.7742 -2.7742 -2.6356 -2.6356 -1.7635 -1.7635 -1.4774 -1.4774 -1.3703 -1.3703 -0.8170 -0.8170 -0.6592 -0.6592 -0.4224 -0.4224 -0.2597 -0.2597 -0.1995 -0.1995 0.0498 0.0498 0.2558 0.2558 0.2886 0.2886 0.3742 0.3742 2.0855 2.0855 2.3267 2.3267 2.4830 2.4830 5.5047 5.5047 5.5747 5.5747 12.9320 12.9320 13.1871 13.1871 13.9710 13.9710 k = 0.7436-0.0972-0.0667 ( 11745 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5747 -44.5747 -40.1773 -40.1773 -19.9263 -19.9263 -19.7240 -19.7240 -19.6593 -19.6593 -19.4165 -19.4165 -19.3595 -19.3595 -19.2976 -19.2976 -4.3533 -4.3533 -4.1809 -4.1809 -3.2141 -3.2141 -2.8545 -2.8545 -2.7690 -2.7690 -2.6334 -2.6334 -1.7491 -1.7491 -1.4892 -1.4892 -1.3689 -1.3689 -0.8230 -0.8230 -0.6699 -0.6699 -0.4350 -0.4350 -0.2643 -0.2643 -0.1930 -0.1930 0.0493 0.0493 0.2560 0.2560 0.2877 0.2877 0.3727 0.3727 2.0875 2.0875 2.3269 2.3269 2.4882 2.4882 5.4978 5.4978 5.5824 5.5824 12.9969 12.9969 13.1845 13.1845 13.9139 13.9139 k = 0.7542-0.0867-0.0594 ( 11741 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5747 -44.5747 -40.1773 -40.1773 -19.9254 -19.9254 -19.7242 -19.7242 -19.6572 -19.6572 -19.4156 -19.4156 -19.3609 -19.3609 -19.3003 -19.3003 -4.3606 -4.3606 -4.1758 -4.1758 -3.2105 -3.2105 -2.8495 -2.8495 -2.7633 -2.7633 -2.6304 -2.6304 -1.7361 -1.7361 -1.5020 -1.5020 -1.3675 -1.3675 -0.8316 -0.8316 -0.6773 -0.6773 -0.4467 -0.4467 -0.2686 -0.2686 -0.1842 -0.1842 0.0490 0.0490 0.2558 0.2558 0.2870 0.2870 0.3712 0.3712 2.0890 2.0890 2.3265 2.3265 2.4933 2.4933 5.4911 5.4911 5.5902 5.5902 13.0636 13.0636 13.1660 13.1660 13.8749 13.8749 k = 0.7648-0.0761-0.0522 ( 11743 PWs) bands (ev): -77.9658 -77.9658 -48.5111 -48.5111 -44.6127 -44.6127 -44.5746 -44.5746 -40.1773 -40.1773 -19.9250 -19.9250 -19.7241 -19.7241 -19.6550 -19.6550 -19.4154 -19.4154 -19.3615 -19.3615 -19.3028 -19.3028 -4.3674 -4.3674 -4.1707 -4.1707 -3.2072 -3.2072 -2.8464 -2.8464 -2.7576 -2.7576 -2.6263 -2.6263 -1.7246 -1.7246 -1.5153 -1.5153 -1.3664 -1.3664 -0.8419 -0.8419 -0.6821 -0.6821 -0.4570 -0.4570 -0.2725 -0.2725 -0.1734 -0.1734 0.0488 0.0488 0.2554 0.2554 0.2864 0.2864 0.3697 0.3697 2.0898 2.0898 2.3257 2.3257 2.4981 2.4981 5.4846 5.4846 5.5980 5.5980 13.1224 13.1224 13.1395 13.1395 13.8559 13.8559 Writing output data file LiRhF6.save init_run : 0.32s CPU 0.48s WALL ( 1 calls) electrons : 388.28s CPU 392.47s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 388.27s CPU 392.46s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.06s CPU 0.08s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.15s WALL ( 278 calls) cegterg : 359.30s CPU 362.05s WALL ( 472 calls) Called by sum_band: Called by *egterg: h_psi : 238.00s CPU 240.09s WALL ( 8036 calls) s_psi : 8.21s CPU 8.22s WALL ( 8036 calls) g_psi : 0.80s CPU 0.74s WALL ( 7286 calls) cdiaghg : 80.46s CPU 81.19s WALL ( 7564 calls) cegterg:over : 20.44s CPU 20.57s WALL ( 7286 calls) cegterg:upda : 19.69s CPU 19.83s WALL ( 7286 calls) cegterg:last : 9.27s CPU 9.25s WALL ( 1028 calls) cdiaghg:chol : 4.83s CPU 4.73s WALL ( 7564 calls) cdiaghg:inve : 3.28s CPU 3.28s WALL ( 7564 calls) cdiaghg:para : 5.35s CPU 5.47s WALL ( 15128 calls) Called by h_psi: h_psi:vloc : 218.42s CPU 220.29s WALL ( 8036 calls) h_psi:vnl : 18.82s CPU 19.02s WALL ( 8036 calls) add_vuspsi : 8.93s CPU 8.95s WALL ( 8036 calls) General routines calbec : 9.86s CPU 10.04s WALL ( 8036 calls) fft : 0.00s CPU 0.01s WALL ( 15 calls) fftw : 206.12s CPU 207.89s WALL ( 913376 calls) davcio : 0.32s CPU 0.67s WALL ( 556 calls) Parallel routines fft_scatter : 59.65s CPU 60.07s WALL ( 913391 calls) PWSCF : 7m 5.96s CPU 7m33.59s WALL This run was terminated on: 18: 6:25 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=