Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21:15: 6 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: ./Se.save/ 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 37 29 9 667 453 77 Max 38 30 10 671 473 78 Sum 1359 1073 329 24093 16677 2801 bravais-lattice index = 14 lattice parameter (alat) = 12.7064 a.u. unit-cell volume = 1113.8357 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 1 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 23.0000 Ry charge density cutoff = 118.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.706386 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.427687 celldm(5)= -0.427687 celldm(6)= -0.427687 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.427687 0.903927 0.000000 ) a(3) = ( -0.427687 -0.675502 0.600650 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.473144 1.244146 ) b(2) = ( 0.000000 1.106284 1.244146 ) b(3) = ( 0.000000 0.000000 1.664862 ) PseudoPot. # 1 for Se read from file: /users/gautes/Pseudo/Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 38611c150961c07dbd63be353364166d Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1211 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Se 6.00 78.96000 Se( 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= 273 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036630 k( 2) = ( 0.0106126 -0.0167619 0.0063745), wk = 0.0036630 k( 3) = ( 0.0212253 -0.0335238 0.0127490), wk = 0.0036630 k( 4) = ( 0.0318379 -0.0502857 0.0191234), wk = 0.0036630 k( 5) = ( 0.0424505 -0.0670475 0.0254979), wk = 0.0036630 k( 6) = ( 0.0530631 -0.0838094 0.0318724), wk = 0.0036630 k( 7) = ( 0.0636758 -0.1005713 0.0382469), wk = 0.0036630 k( 8) = ( 0.0742884 -0.1173332 0.0446213), wk = 0.0036630 k( 9) = ( 0.0849010 -0.1340951 0.0509958), wk = 0.0036630 k( 10) = ( 0.0955137 -0.1508570 0.0573703), wk = 0.0036630 k( 11) = ( 0.1061263 -0.1676189 0.0637448), wk = 0.0036630 k( 12) = ( 0.1167389 -0.1843807 0.0701193), wk = 0.0036630 k( 13) = ( 0.1273515 -0.2011426 0.0764938), wk = 0.0036630 k( 14) = ( 0.1379642 -0.2179045 0.0828682), wk = 0.0036630 k( 15) = ( 0.1485768 -0.2346664 0.0892427), wk = 0.0036630 k( 16) = ( 0.1591894 -0.2514283 0.0956172), wk = 0.0036630 k( 17) = ( 0.1698020 -0.2681902 0.1019917), wk = 0.0036630 k( 18) = ( 0.1804147 -0.2849520 0.1083661), wk = 0.0036630 k( 19) = ( 0.1910273 -0.3017139 0.1147406), wk = 0.0036630 k( 20) = ( 0.2016399 -0.3184758 0.1211151), wk = 0.0036630 k( 21) = ( 0.2122526 -0.3352377 0.1274896), wk = 0.0036630 k( 22) = ( 0.2228652 -0.3519996 0.1338641), wk = 0.0036630 k( 23) = ( 0.2334778 -0.3687615 0.1402386), wk = 0.0036630 k( 24) = ( 0.2440904 -0.3855234 0.1466130), wk = 0.0036630 k( 25) = ( 0.2547031 -0.4022852 0.1529875), wk = 0.0036630 k( 26) = ( 0.2653157 -0.4190471 0.1593620), wk = 0.0036630 k( 27) = ( 0.2759283 -0.4358090 0.1657365), wk = 0.0036630 k( 28) = ( 0.2865409 -0.4525709 0.1721109), wk = 0.0036630 k( 29) = ( 0.2971536 -0.4693328 0.1784854), wk = 0.0036630 k( 30) = ( 0.3077662 -0.4860947 0.1848599), wk = 0.0036630 k( 31) = ( 0.3183788 -0.5028565 0.1912344), wk = 0.0036630 k( 32) = ( 0.3289915 -0.5196184 0.1976088), wk = 0.0036630 k( 33) = ( 0.3396041 -0.5363803 0.2039833), wk = 0.0036630 k( 34) = ( 0.3502167 -0.5531422 0.2103578), wk = 0.0036630 k( 35) = ( 0.3502167 -0.5531422 0.2103578), wk = 0.0036630 k( 36) = ( 0.3548974 -0.5457493 0.2297976), wk = 0.0036630 k( 37) = ( 0.3595782 -0.5383565 0.2492374), wk = 0.0036630 k( 38) = ( 0.3642589 -0.5309636 0.2686772), wk = 0.0036630 k( 39) = ( 0.3689396 -0.5235707 0.2881170), wk = 0.0036630 k( 40) = ( 0.3736203 -0.5161778 0.3075567), wk = 0.0036630 k( 41) = ( 0.3783011 -0.5087850 0.3269965), wk = 0.0036630 k( 42) = ( 0.3829818 -0.5013921 0.3464363), wk = 0.0036630 k( 43) = ( 0.3876625 -0.4939992 0.3658761), wk = 0.0036630 k( 44) = ( 0.3923433 -0.4866063 0.3853159), wk = 0.0036630 k( 45) = ( 0.3970240 -0.4792135 0.4047557), wk = 0.0036630 k( 46) = ( 0.4017047 -0.4718206 0.4241955), wk = 0.0036630 k( 47) = ( 0.4063854 -0.4644277 0.4436352), wk = 0.0036630 k( 48) = ( 0.4110662 -0.4570348 0.4630750), wk = 0.0036630 k( 49) = ( 0.4157469 -0.4496420 0.4825148), wk = 0.0036630 k( 50) = ( 0.4204276 -0.4422491 0.5019546), wk = 0.0036630 k( 51) = ( 0.4251084 -0.4348562 0.5213944), wk = 0.0036630 k( 52) = ( 0.4297891 -0.4274633 0.5408342), wk = 0.0036630 k( 53) = ( 0.4344698 -0.4200705 0.5602740), wk = 0.0036630 k( 54) = ( 0.4391505 -0.4126776 0.5797138), wk = 0.0036630 k( 55) = ( 0.4438313 -0.4052847 0.5991536), wk = 0.0036630 k( 56) = ( 0.4485120 -0.3978919 0.6185933), wk = 0.0036630 k( 57) = ( 0.4531927 -0.3904990 0.6380331), wk = 0.0036630 k( 58) = ( 0.4578735 -0.3831061 0.6574729), wk = 0.0036630 k( 59) = ( 0.4625542 -0.3757132 0.6769127), wk = 0.0036630 k( 60) = ( 0.4672349 -0.3683203 0.6963525), wk = 0.0036630 k( 61) = ( 0.4719156 -0.3609275 0.7157922), wk = 0.0036630 k( 62) = ( 0.4765964 -0.3535346 0.7352320), wk = 0.0036630 k( 63) = ( 0.4812771 -0.3461417 0.7546718), wk = 0.0036630 k( 64) = ( 0.4859578 -0.3387488 0.7741116), wk = 0.0036630 k( 65) = ( 0.4906385 -0.3313560 0.7935514), wk = 0.0036630 k( 66) = ( 0.4953193 -0.3239631 0.8129912), wk = 0.0036630 k( 67) = ( 0.5000000 -0.3165702 0.8324310), wk = 0.0036630 k( 68) = ( 0.5000000 -0.3165702 0.8324310), wk = 0.0036630 k( 69) = ( 0.4909222 -0.2973841 0.8324310), wk = 0.0036630 k( 70) = ( 0.4818444 -0.2781981 0.8324310), wk = 0.0036630 k( 71) = ( 0.4727667 -0.2590120 0.8324310), wk = 0.0036630 k( 72) = ( 0.4636889 -0.2398259 0.8324310), wk = 0.0036630 k( 73) = ( 0.4546111 -0.2206399 0.8324310), wk = 0.0036630 k( 74) = ( 0.4455333 -0.2014538 0.8324310), wk = 0.0036630 k( 75) = ( 0.4364556 -0.1822677 0.8324310), wk = 0.0036630 k( 76) = ( 0.4273778 -0.1630816 0.8324310), wk = 0.0036630 k( 77) = ( 0.4183000 -0.1438956 0.8324310), wk = 0.0036630 k( 78) = ( 0.4092223 -0.1247095 0.8324310), wk = 0.0036630 k( 79) = ( 0.4001445 -0.1055234 0.8324310), wk = 0.0036630 k( 80) = ( 0.3910667 -0.0863373 0.8324310), wk = 0.0036630 k( 81) = ( 0.3819889 -0.0671513 0.8324310), wk = 0.0036630 k( 82) = ( 0.3729112 -0.0479652 0.8324310), wk = 0.0036630 k( 83) = ( 0.3638334 -0.0287791 0.8324310), wk = 0.0036630 k( 84) = ( 0.3547556 -0.0095930 0.8324310), wk = 0.0036630 k( 85) = ( 0.3456778 0.0095930 0.8324310), wk = 0.0036630 k( 86) = ( 0.3366000 0.0287791 0.8324310), wk = 0.0036630 k( 87) = ( 0.3275223 0.0479652 0.8324310), wk = 0.0036630 k( 88) = ( 0.3184445 0.0671513 0.8324310), wk = 0.0036630 k( 89) = ( 0.3093667 0.0863373 0.8324310), wk = 0.0036630 k( 90) = ( 0.3002889 0.1055234 0.8324310), wk = 0.0036630 k( 91) = ( 0.2912112 0.1247095 0.8324310), wk = 0.0036630 k( 92) = ( 0.2821334 0.1438956 0.8324310), wk = 0.0036630 k( 93) = ( 0.2730556 0.1630816 0.8324310), wk = 0.0036630 k( 94) = ( 0.2639778 0.1822677 0.8324310), wk = 0.0036630 k( 95) = ( 0.2549001 0.2014538 0.8324310), wk = 0.0036630 k( 96) = ( 0.2458223 0.2206399 0.8324310), wk = 0.0036630 k( 97) = ( 0.2367445 0.2398259 0.8324310), wk = 0.0036630 k( 98) = ( 0.2276667 0.2590120 0.8324310), wk = 0.0036630 k( 99) = ( 0.2185890 0.2781981 0.8324310), wk = 0.0036630 k( 100) = ( 0.2095112 0.2973841 0.8324310), wk = 0.0036630 k( 101) = ( 0.2004334 0.3165702 0.8324310), wk = 0.0036630 k( 102) = ( 0.2004334 0.3165702 0.8324310), wk = 0.0036630 k( 103) = ( 0.1957722 0.3092081 0.8130721), wk = 0.0036630 k( 104) = ( 0.1911109 0.3018460 0.7937132), wk = 0.0036630 k( 105) = ( 0.1864497 0.2944839 0.7743544), wk = 0.0036630 k( 106) = ( 0.1817884 0.2871218 0.7549955), wk = 0.0036630 k( 107) = ( 0.1771272 0.2797597 0.7356367), wk = 0.0036630 k( 108) = ( 0.1724660 0.2723976 0.7162778), wk = 0.0036630 k( 109) = ( 0.1678047 0.2650355 0.6969189), wk = 0.0036630 k( 110) = ( 0.1631435 0.2576734 0.6775601), wk = 0.0036630 k( 111) = ( 0.1584822 0.2503113 0.6582012), wk = 0.0036630 k( 112) = ( 0.1538210 0.2429493 0.6388424), wk = 0.0036630 k( 113) = ( 0.1491598 0.2355871 0.6194835), wk = 0.0036630 k( 114) = ( 0.1444985 0.2282250 0.6001247), wk = 0.0036630 k( 115) = ( 0.1398373 0.2208630 0.5807658), wk = 0.0036630 k( 116) = ( 0.1351760 0.2135009 0.5614070), wk = 0.0036630 k( 117) = ( 0.1305148 0.2061387 0.5420481), wk = 0.0036630 k( 118) = ( 0.1258535 0.1987767 0.5226892), wk = 0.0036630 k( 119) = ( 0.1211923 0.1914146 0.5033304), wk = 0.0036630 k( 120) = ( 0.1165311 0.1840525 0.4839715), wk = 0.0036630 k( 121) = ( 0.1118698 0.1766904 0.4646126), wk = 0.0036630 k( 122) = ( 0.1072086 0.1693283 0.4452538), wk = 0.0036630 k( 123) = ( 0.1025473 0.1619662 0.4258949), wk = 0.0036630 k( 124) = ( 0.0978861 0.1546041 0.4065361), wk = 0.0036630 k( 125) = ( 0.0932248 0.1472420 0.3871772), wk = 0.0036630 k( 126) = ( 0.0885636 0.1398799 0.3678183), wk = 0.0036630 k( 127) = ( 0.0839024 0.1325178 0.3484595), wk = 0.0036630 k( 128) = ( 0.0792411 0.1251557 0.3291006), wk = 0.0036630 k( 129) = ( 0.0745799 0.1177936 0.3097418), wk = 0.0036630 k( 130) = ( 0.0699186 0.1104315 0.2903829), wk = 0.0036630 k( 131) = ( 0.0652574 0.1030694 0.2710240), wk = 0.0036630 k( 132) = ( 0.0605962 0.0957073 0.2516652), wk = 0.0036630 k( 133) = ( 0.0559349 0.0883452 0.2323063), wk = 0.0036630 k( 134) = ( 0.0512737 0.0809831 0.2129475), wk = 0.0036630 k( 135) = ( 0.0466124 0.0736210 0.1935886), wk = 0.0036630 k( 136) = ( 0.0419512 0.0662589 0.1742297), wk = 0.0036630 k( 137) = ( 0.0372899 0.0588968 0.1548709), wk = 0.0036630 k( 138) = ( 0.0326287 0.0515347 0.1355120), wk = 0.0036630 k( 139) = ( 0.0279675 0.0441726 0.1161531), wk = 0.0036630 k( 140) = ( 0.0233062 0.0368105 0.0967943), wk = 0.0036630 k( 141) = ( 0.0186450 0.0294484 0.0774354), wk = 0.0036630 k( 142) = ( 0.0139837 0.0220863 0.0580766), wk = 0.0036630 k( 143) = ( 0.0093225 0.0147242 0.0387177), wk = 0.0036630 k( 144) = ( 0.0046612 0.0073621 0.0193589), wk = 0.0036630 k( 145) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036630 k( 146) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036630 k( 147) = ( 0.0178571 -0.0113061 0.0000000), wk = 0.0036630 k( 148) = ( 0.0357143 -0.0226122 0.0000000), wk = 0.0036630 k( 149) = ( 0.0535714 -0.0339182 0.0000000), wk = 0.0036630 k( 150) = ( 0.0714286 -0.0452243 0.0000000), wk = 0.0036630 k( 151) = ( 0.0892857 -0.0565304 0.0000000), wk = 0.0036630 k( 152) = ( 0.1071429 -0.0678365 0.0000000), wk = 0.0036630 k( 153) = ( 0.1250000 -0.0791426 0.0000000), wk = 0.0036630 k( 154) = ( 0.1428571 -0.0904486 0.0000000), wk = 0.0036630 k( 155) = ( 0.1607143 -0.1017547 0.0000000), wk = 0.0036630 k( 156) = ( 0.1785714 -0.1130608 0.0000000), wk = 0.0036630 k( 157) = ( 0.1964286 -0.1243669 0.0000000), wk = 0.0036630 k( 158) = ( 0.2142857 -0.1356730 0.0000000), wk = 0.0036630 k( 159) = ( 0.2321429 -0.1469790 0.0000000), wk = 0.0036630 k( 160) = ( 0.2500000 -0.1582851 0.0000000), wk = 0.0036630 k( 161) = ( 0.2678571 -0.1695912 0.0000000), wk = 0.0036630 k( 162) = ( 0.2857143 -0.1808973 0.0000000), wk = 0.0036630 k( 163) = ( 0.3035714 -0.1922034 0.0000000), wk = 0.0036630 k( 164) = ( 0.3214286 -0.2035094 0.0000000), wk = 0.0036630 k( 165) = ( 0.3392857 -0.2148155 0.0000000), wk = 0.0036630 k( 166) = ( 0.3571429 -0.2261216 0.0000000), wk = 0.0036630 k( 167) = ( 0.3750000 -0.2374277 0.0000000), wk = 0.0036630 k( 168) = ( 0.3928571 -0.2487337 0.0000000), wk = 0.0036630 k( 169) = ( 0.4107143 -0.2600398 0.0000000), wk = 0.0036630 k( 170) = ( 0.4285714 -0.2713459 0.0000000), wk = 0.0036630 k( 171) = ( 0.4464286 -0.2826520 0.0000000), wk = 0.0036630 k( 172) = ( 0.4642857 -0.2939581 0.0000000), wk = 0.0036630 k( 173) = ( 0.4821429 -0.3052641 0.0000000), wk = 0.0036630 k( 174) = ( 0.5000000 -0.3165702 0.0000000), wk = 0.0036630 k( 175) = ( 0.5000000 -0.3165702 0.0000000), wk = 0.0036630 k( 176) = ( 0.5088108 -0.3026542 -0.0123740), wk = 0.0036630 k( 177) = ( 0.5176216 -0.2887382 -0.0247480), wk = 0.0036630 k( 178) = ( 0.5264323 -0.2748222 -0.0371220), wk = 0.0036630 k( 179) = ( 0.5352431 -0.2609062 -0.0494959), wk = 0.0036630 k( 180) = ( 0.5440539 -0.2469902 -0.0618699), wk = 0.0036630 k( 181) = ( 0.5528647 -0.2330742 -0.0742439), wk = 0.0036630 k( 182) = ( 0.5616755 -0.2191582 -0.0866179), wk = 0.0036630 k( 183) = ( 0.5704862 -0.2052422 -0.0989919), wk = 0.0036630 k( 184) = ( 0.5792970 -0.1913262 -0.1113659), wk = 0.0036630 k( 185) = ( 0.5881078 -0.1774102 -0.1237399), wk = 0.0036630 k( 186) = ( 0.5969186 -0.1634942 -0.1361139), wk = 0.0036630 k( 187) = ( 0.6057294 -0.1495782 -0.1484879), wk = 0.0036630 k( 188) = ( 0.6145402 -0.1356622 -0.1608619), wk = 0.0036630 k( 189) = ( 0.6233509 -0.1217462 -0.1732358), wk = 0.0036630 k( 190) = ( 0.6321617 -0.1078302 -0.1856098), wk = 0.0036630 k( 191) = ( 0.6409725 -0.0939142 -0.1979838), wk = 0.0036630 k( 192) = ( 0.6497833 -0.0799982 -0.2103578), wk = 0.0036630 k( 193) = ( 0.6497833 -0.0799982 -0.2103578), wk = 0.0036630 k( 194) = ( 0.6544640 -0.0726054 -0.1909180), wk = 0.0036630 k( 195) = ( 0.6591447 -0.0652125 -0.1714782), wk = 0.0036630 k( 196) = ( 0.6638255 -0.0578196 -0.1520385), wk = 0.0036630 k( 197) = ( 0.6685062 -0.0504268 -0.1325987), wk = 0.0036630 k( 198) = ( 0.6731869 -0.0430339 -0.1131589), wk = 0.0036630 k( 199) = ( 0.6778677 -0.0356410 -0.0937191), wk = 0.0036630 k( 200) = ( 0.6825484 -0.0282481 -0.0742793), wk = 0.0036630 k( 201) = ( 0.6872291 -0.0208553 -0.0548395), wk = 0.0036630 k( 202) = ( 0.6919098 -0.0134624 -0.0353997), wk = 0.0036630 k( 203) = ( 0.6965906 -0.0060695 -0.0159599), wk = 0.0036630 k( 204) = ( 0.7012713 0.0013234 0.0034799), wk = 0.0036630 k( 205) = ( 0.7059520 0.0087163 0.0229196), wk = 0.0036630 k( 206) = ( 0.7106328 0.0161091 0.0423594), wk = 0.0036630 k( 207) = ( 0.7153135 0.0235020 0.0617992), wk = 0.0036630 k( 208) = ( 0.7199942 0.0308949 0.0812390), wk = 0.0036630 k( 209) = ( 0.7246749 0.0382877 0.1006788), wk = 0.0036630 k( 210) = ( 0.7293557 0.0456806 0.1201185), wk = 0.0036630 k( 211) = ( 0.7340364 0.0530735 0.1395583), wk = 0.0036630 k( 212) = ( 0.7387171 0.0604664 0.1589981), wk = 0.0036630 k( 213) = ( 0.7433979 0.0678592 0.1784379), wk = 0.0036630 k( 214) = ( 0.7480786 0.0752521 0.1978777), wk = 0.0036630 k( 215) = ( 0.7527593 0.0826450 0.2173175), wk = 0.0036630 k( 216) = ( 0.7574400 0.0900379 0.2367573), wk = 0.0036630 k( 217) = ( 0.7621208 0.0974307 0.2561971), wk = 0.0036630 k( 218) = ( 0.7668015 0.1048236 0.2756369), wk = 0.0036630 k( 219) = ( 0.7714822 0.1122165 0.2950767), wk = 0.0036630 k( 220) = ( 0.7761629 0.1196094 0.3145164), wk = 0.0036630 k( 221) = ( 0.7808437 0.1270022 0.3339562), wk = 0.0036630 k( 222) = ( 0.7855244 0.1343951 0.3533960), wk = 0.0036630 k( 223) = ( 0.7902051 0.1417880 0.3728358), wk = 0.0036630 k( 224) = ( 0.7948859 0.1491809 0.3922756), wk = 0.0036630 k( 225) = ( 0.7995666 0.1565737 0.4117154), wk = 0.0036630 k( 226) = ( 0.7995666 0.1565737 0.4117154), wk = 0.0036630 k( 227) = ( 0.7829240 0.1610181 0.4234019), wk = 0.0036630 k( 228) = ( 0.7662814 0.1654624 0.4350884), wk = 0.0036630 k( 229) = ( 0.7496388 0.1699068 0.4467750), wk = 0.0036630 k( 230) = ( 0.7329962 0.1743511 0.4584615), wk = 0.0036630 k( 231) = ( 0.7163536 0.1787955 0.4701481), wk = 0.0036630 k( 232) = ( 0.6997111 0.1832398 0.4818346), wk = 0.0036630 k( 233) = ( 0.6830685 0.1876842 0.4935212), wk = 0.0036630 k( 234) = ( 0.6664259 0.1921285 0.5052077), wk = 0.0036630 k( 235) = ( 0.6497833 0.1965729 0.5168943), wk = 0.0036630 k( 236) = ( 0.6331407 0.2010172 0.5285808), wk = 0.0036630 k( 237) = ( 0.6164981 0.2054616 0.5402674), wk = 0.0036630 k( 238) = ( 0.5998555 0.2099059 0.5519539), wk = 0.0036630 k( 239) = ( 0.5832129 0.2143502 0.5636404), wk = 0.0036630 k( 240) = ( 0.5665704 0.2187946 0.5753270), wk = 0.0036630 k( 241) = ( 0.5499278 0.2232389 0.5870135), wk = 0.0036630 k( 242) = ( 0.5332852 0.2276833 0.5987001), wk = 0.0036630 k( 243) = ( 0.5166426 0.2321276 0.6103866), wk = 0.0036630 k( 244) = ( 0.5000000 0.2365720 0.6220732), wk = 0.0036630 k( 245) = ( 0.5000000 0.2365720 0.6220732), wk = 0.0036630 k( 246) = ( 0.5000000 0.2168169 0.6295859), wk = 0.0036630 k( 247) = ( 0.5000000 0.1970618 0.6370987), wk = 0.0036630 k( 248) = ( 0.5000000 0.1773067 0.6446115), wk = 0.0036630 k( 249) = ( 0.5000000 0.1575517 0.6521243), wk = 0.0036630 k( 250) = ( 0.5000000 0.1377966 0.6596371), wk = 0.0036630 k( 251) = ( 0.5000000 0.1180415 0.6671498), wk = 0.0036630 k( 252) = ( 0.5000000 0.0982864 0.6746626), wk = 0.0036630 k( 253) = ( 0.5000000 0.0785314 0.6821754), wk = 0.0036630 k( 254) = ( 0.5000000 0.0587763 0.6896882), wk = 0.0036630 k( 255) = ( 0.5000000 0.0390212 0.6972010), wk = 0.0036630 k( 256) = ( 0.5000000 0.0192661 0.7047137), wk = 0.0036630 k( 257) = ( 0.5000000 -0.0004890 0.7122265), wk = 0.0036630 k( 258) = ( 0.5000000 -0.0202440 0.7197393), wk = 0.0036630 k( 259) = ( 0.5000000 -0.0399991 0.7272521), wk = 0.0036630 k( 260) = ( 0.5000000 -0.0597542 0.7347648), wk = 0.0036630 k( 261) = ( 0.5000000 -0.0795093 0.7422776), wk = 0.0036630 k( 262) = ( 0.5000000 -0.0992644 0.7497904), wk = 0.0036630 k( 263) = ( 0.5000000 -0.1190194 0.7573032), wk = 0.0036630 k( 264) = ( 0.5000000 -0.1387745 0.7648160), wk = 0.0036630 k( 265) = ( 0.5000000 -0.1585296 0.7723287), wk = 0.0036630 k( 266) = ( 0.5000000 -0.1782847 0.7798415), wk = 0.0036630 k( 267) = ( 0.5000000 -0.1980398 0.7873543), wk = 0.0036630 k( 268) = ( 0.5000000 -0.2177948 0.7948671), wk = 0.0036630 k( 269) = ( 0.5000000 -0.2375499 0.8023799), wk = 0.0036630 k( 270) = ( 0.5000000 -0.2573050 0.8098926), wk = 0.0036630 k( 271) = ( 0.5000000 -0.2770601 0.8174054), wk = 0.0036630 k( 272) = ( 0.5000000 -0.2968152 0.8249182), wk = 0.0036630 k( 273) = ( 0.5000000 -0.3165702 0.8324310), wk = 0.0036630 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036630 k( 2) = ( 0.0106126 -0.0196904 0.0106126), wk = 0.0036630 k( 3) = ( 0.0212253 -0.0393808 0.0212253), wk = 0.0036630 k( 4) = ( 0.0318379 -0.0590712 0.0318379), wk = 0.0036630 k( 5) = ( 0.0424505 -0.0787616 0.0424505), wk = 0.0036630 k( 6) = ( 0.0530631 -0.0984520 0.0530631), wk = 0.0036630 k( 7) = ( 0.0636758 -0.1181424 0.0636758), wk = 0.0036630 k( 8) = ( 0.0742884 -0.1378328 0.0742884), wk = 0.0036630 k( 9) = ( 0.0849010 -0.1575232 0.0849010), wk = 0.0036630 k( 10) = ( 0.0955137 -0.1772136 0.0955137), wk = 0.0036630 k( 11) = ( 0.1061263 -0.1969040 0.1061263), wk = 0.0036630 k( 12) = ( 0.1167389 -0.2165944 0.1167389), wk = 0.0036630 k( 13) = ( 0.1273515 -0.2362848 0.1273515), wk = 0.0036630 k( 14) = ( 0.1379642 -0.2559752 0.1379642), wk = 0.0036630 k( 15) = ( 0.1485768 -0.2756656 0.1485768), wk = 0.0036630 k( 16) = ( 0.1591894 -0.2953560 0.1591894), wk = 0.0036630 k( 17) = ( 0.1698020 -0.3150464 0.1698020), wk = 0.0036630 k( 18) = ( 0.1804147 -0.3347368 0.1804147), wk = 0.0036630 k( 19) = ( 0.1910273 -0.3544273 0.1910273), wk = 0.0036630 k( 20) = ( 0.2016399 -0.3741176 0.2016399), wk = 0.0036630 k( 21) = ( 0.2122526 -0.3938081 0.2122525), wk = 0.0036630 k( 22) = ( 0.2228652 -0.4134985 0.2228652), wk = 0.0036630 k( 23) = ( 0.2334778 -0.4331889 0.2334778), wk = 0.0036630 k( 24) = ( 0.2440904 -0.4528793 0.2440904), wk = 0.0036630 k( 25) = ( 0.2547031 -0.4725697 0.2547031), wk = 0.0036630 k( 26) = ( 0.2653157 -0.4922601 0.2653157), wk = 0.0036630 k( 27) = ( 0.2759283 -0.5119505 0.2759283), wk = 0.0036630 k( 28) = ( 0.2865409 -0.5316409 0.2865409), wk = 0.0036630 k( 29) = ( 0.2971536 -0.5513313 0.2971536), wk = 0.0036630 k( 30) = ( 0.3077662 -0.5710217 0.3077662), wk = 0.0036630 k( 31) = ( 0.3183788 -0.5907121 0.3183788), wk = 0.0036630 k( 32) = ( 0.3289915 -0.6104025 0.3289915), wk = 0.0036630 k( 33) = ( 0.3396041 -0.6300929 0.3396041), wk = 0.0036630 k( 34) = ( 0.3502167 -0.6497833 0.3502167), wk = 0.0036630 k( 35) = ( 0.3502167 -0.6497833 0.3502167), wk = 0.0036630 k( 36) = ( 0.3548974 -0.6451026 0.3548974), wk = 0.0036630 k( 37) = ( 0.3595782 -0.6404218 0.3595782), wk = 0.0036630 k( 38) = ( 0.3642589 -0.6357411 0.3642589), wk = 0.0036630 k( 39) = ( 0.3689396 -0.6310604 0.3689396), wk = 0.0036630 k( 40) = ( 0.3736203 -0.6263796 0.3736203), wk = 0.0036630 k( 41) = ( 0.3783011 -0.6216989 0.3783011), wk = 0.0036630 k( 42) = ( 0.3829818 -0.6170182 0.3829818), wk = 0.0036630 k( 43) = ( 0.3876625 -0.6123375 0.3876625), wk = 0.0036630 k( 44) = ( 0.3923433 -0.6076567 0.3923433), wk = 0.0036630 k( 45) = ( 0.3970240 -0.6029760 0.3970240), wk = 0.0036630 k( 46) = ( 0.4017047 -0.5982953 0.4017047), wk = 0.0036630 k( 47) = ( 0.4063854 -0.5936146 0.4063854), wk = 0.0036630 k( 48) = ( 0.4110662 -0.5889338 0.4110662), wk = 0.0036630 k( 49) = ( 0.4157469 -0.5842531 0.4157469), wk = 0.0036630 k( 50) = ( 0.4204276 -0.5795724 0.4204276), wk = 0.0036630 k( 51) = ( 0.4251084 -0.5748916 0.4251083), wk = 0.0036630 k( 52) = ( 0.4297891 -0.5702109 0.4297891), wk = 0.0036630 k( 53) = ( 0.4344698 -0.5655302 0.4344698), wk = 0.0036630 k( 54) = ( 0.4391505 -0.5608495 0.4391505), wk = 0.0036630 k( 55) = ( 0.4438313 -0.5561687 0.4438313), wk = 0.0036630 k( 56) = ( 0.4485120 -0.5514880 0.4485120), wk = 0.0036630 k( 57) = ( 0.4531927 -0.5468073 0.4531927), wk = 0.0036630 k( 58) = ( 0.4578735 -0.5421265 0.4578734), wk = 0.0036630 k( 59) = ( 0.4625542 -0.5374458 0.4625542), wk = 0.0036630 k( 60) = ( 0.4672349 -0.5327651 0.4672349), wk = 0.0036630 k( 61) = ( 0.4719156 -0.5280844 0.4719156), wk = 0.0036630 k( 62) = ( 0.4765964 -0.5234036 0.4765964), wk = 0.0036630 k( 63) = ( 0.4812771 -0.5187229 0.4812771), wk = 0.0036630 k( 64) = ( 0.4859578 -0.5140422 0.4859578), wk = 0.0036630 k( 65) = ( 0.4906385 -0.5093615 0.4906385), wk = 0.0036630 k( 66) = ( 0.4953193 -0.5046807 0.4953193), wk = 0.0036630 k( 67) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0036630 k( 68) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0036630 k( 69) = ( 0.4909222 -0.4787747 0.4909222), wk = 0.0036630 k( 70) = ( 0.4818444 -0.4575495 0.4818444), wk = 0.0036630 k( 71) = ( 0.4727667 -0.4363242 0.4727667), wk = 0.0036630 k( 72) = ( 0.4636889 -0.4150990 0.4636889), wk = 0.0036630 k( 73) = ( 0.4546111 -0.3938737 0.4546111), wk = 0.0036630 k( 74) = ( 0.4455333 -0.3726485 0.4455333), wk = 0.0036630 k( 75) = ( 0.4364556 -0.3514232 0.4364556), wk = 0.0036630 k( 76) = ( 0.4273778 -0.3301980 0.4273778), wk = 0.0036630 k( 77) = ( 0.4183000 -0.3089727 0.4183000), wk = 0.0036630 k( 78) = ( 0.4092223 -0.2877475 0.4092223), wk = 0.0036630 k( 79) = ( 0.4001445 -0.2665222 0.4001445), wk = 0.0036630 k( 80) = ( 0.3910667 -0.2452969 0.3910667), wk = 0.0036630 k( 81) = ( 0.3819889 -0.2240717 0.3819889), wk = 0.0036630 k( 82) = ( 0.3729112 -0.2028464 0.3729112), wk = 0.0036630 k( 83) = ( 0.3638334 -0.1816212 0.3638334), wk = 0.0036630 k( 84) = ( 0.3547556 -0.1603959 0.3547556), wk = 0.0036630 k( 85) = ( 0.3456778 -0.1391707 0.3456778), wk = 0.0036630 k( 86) = ( 0.3366000 -0.1179454 0.3366000), wk = 0.0036630 k( 87) = ( 0.3275223 -0.0967202 0.3275223), wk = 0.0036630 k( 88) = ( 0.3184445 -0.0754949 0.3184445), wk = 0.0036630 k( 89) = ( 0.3093667 -0.0542696 0.3093667), wk = 0.0036630 k( 90) = ( 0.3002889 -0.0330444 0.3002889), wk = 0.0036630 k( 91) = ( 0.2912112 -0.0118191 0.2912112), wk = 0.0036630 k( 92) = ( 0.2821334 0.0094061 0.2821334), wk = 0.0036630 k( 93) = ( 0.2730556 0.0306314 0.2730556), wk = 0.0036630 k( 94) = ( 0.2639778 0.0518566 0.2639778), wk = 0.0036630 k( 95) = ( 0.2549001 0.0730819 0.2549001), wk = 0.0036630 k( 96) = ( 0.2458223 0.0943071 0.2458223), wk = 0.0036630 k( 97) = ( 0.2367445 0.1155324 0.2367445), wk = 0.0036630 k( 98) = ( 0.2276667 0.1367576 0.2276667), wk = 0.0036630 k( 99) = ( 0.2185890 0.1579829 0.2185890), wk = 0.0036630 k( 100) = ( 0.2095112 0.1792082 0.2095112), wk = 0.0036630 k( 101) = ( 0.2004334 0.2004334 0.2004334), wk = 0.0036630 k( 102) = ( 0.2004334 0.2004334 0.2004334), wk = 0.0036630 k( 103) = ( 0.1957722 0.1957722 0.1957722), wk = 0.0036630 k( 104) = ( 0.1911109 0.1911109 0.1911109), wk = 0.0036630 k( 105) = ( 0.1864497 0.1864497 0.1864497), wk = 0.0036630 k( 106) = ( 0.1817884 0.1817884 0.1817885), wk = 0.0036630 k( 107) = ( 0.1771272 0.1771272 0.1771272), wk = 0.0036630 k( 108) = ( 0.1724660 0.1724660 0.1724660), wk = 0.0036630 k( 109) = ( 0.1678047 0.1678047 0.1678047), wk = 0.0036630 k( 110) = ( 0.1631435 0.1631435 0.1631435), wk = 0.0036630 k( 111) = ( 0.1584822 0.1584822 0.1584822), wk = 0.0036630 k( 112) = ( 0.1538210 0.1538210 0.1538210), wk = 0.0036630 k( 113) = ( 0.1491598 0.1491597 0.1491598), wk = 0.0036630 k( 114) = ( 0.1444985 0.1444985 0.1444985), wk = 0.0036630 k( 115) = ( 0.1398373 0.1398373 0.1398373), wk = 0.0036630 k( 116) = ( 0.1351760 0.1351760 0.1351760), wk = 0.0036630 k( 117) = ( 0.1305148 0.1305148 0.1305148), wk = 0.0036630 k( 118) = ( 0.1258535 0.1258535 0.1258535), wk = 0.0036630 k( 119) = ( 0.1211923 0.1211923 0.1211923), wk = 0.0036630 k( 120) = ( 0.1165311 0.1165311 0.1165311), wk = 0.0036630 k( 121) = ( 0.1118698 0.1118698 0.1118698), wk = 0.0036630 k( 122) = ( 0.1072086 0.1072086 0.1072086), wk = 0.0036630 k( 123) = ( 0.1025473 0.1025473 0.1025473), wk = 0.0036630 k( 124) = ( 0.0978861 0.0978861 0.0978861), wk = 0.0036630 k( 125) = ( 0.0932248 0.0932248 0.0932248), wk = 0.0036630 k( 126) = ( 0.0885636 0.0885636 0.0885636), wk = 0.0036630 k( 127) = ( 0.0839024 0.0839024 0.0839024), wk = 0.0036630 k( 128) = ( 0.0792411 0.0792411 0.0792411), wk = 0.0036630 k( 129) = ( 0.0745799 0.0745799 0.0745799), wk = 0.0036630 k( 130) = ( 0.0699186 0.0699186 0.0699186), wk = 0.0036630 k( 131) = ( 0.0652574 0.0652574 0.0652574), wk = 0.0036630 k( 132) = ( 0.0605962 0.0605961 0.0605962), wk = 0.0036630 k( 133) = ( 0.0559349 0.0559349 0.0559349), wk = 0.0036630 k( 134) = ( 0.0512737 0.0512737 0.0512737), wk = 0.0036630 k( 135) = ( 0.0466124 0.0466124 0.0466124), wk = 0.0036630 k( 136) = ( 0.0419512 0.0419512 0.0419512), wk = 0.0036630 k( 137) = ( 0.0372899 0.0372899 0.0372899), wk = 0.0036630 k( 138) = ( 0.0326287 0.0326287 0.0326287), wk = 0.0036630 k( 139) = ( 0.0279675 0.0279674 0.0279675), wk = 0.0036630 k( 140) = ( 0.0233062 0.0233062 0.0233062), wk = 0.0036630 k( 141) = ( 0.0186450 0.0186450 0.0186450), wk = 0.0036630 k( 142) = ( 0.0139837 0.0139837 0.0139837), wk = 0.0036630 k( 143) = ( 0.0093225 0.0093225 0.0093225), wk = 0.0036630 k( 144) = ( 0.0046612 0.0046612 0.0046612), wk = 0.0036630 k( 145) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036630 k( 146) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036630 k( 147) = ( 0.0178571 -0.0178571 -0.0000000), wk = 0.0036630 k( 148) = ( 0.0357143 -0.0357143 -0.0000000), wk = 0.0036630 k( 149) = ( 0.0535714 -0.0535714 -0.0000000), wk = 0.0036630 k( 150) = ( 0.0714286 -0.0714286 -0.0000000), wk = 0.0036630 k( 151) = ( 0.0892857 -0.0892857 -0.0000000), wk = 0.0036630 k( 152) = ( 0.1071429 -0.1071429 -0.0000000), wk = 0.0036630 k( 153) = ( 0.1250000 -0.1250000 -0.0000000), wk = 0.0036630 k( 154) = ( 0.1428571 -0.1428571 -0.0000000), wk = 0.0036630 k( 155) = ( 0.1607143 -0.1607143 -0.0000000), wk = 0.0036630 k( 156) = ( 0.1785714 -0.1785714 -0.0000000), wk = 0.0036630 k( 157) = ( 0.1964286 -0.1964286 -0.0000000), wk = 0.0036630 k( 158) = ( 0.2142857 -0.2142857 -0.0000000), wk = 0.0036630 k( 159) = ( 0.2321429 -0.2321429 -0.0000000), wk = 0.0036630 k( 160) = ( 0.2500000 -0.2500000 -0.0000000), wk = 0.0036630 k( 161) = ( 0.2678571 -0.2678571 -0.0000000), wk = 0.0036630 k( 162) = ( 0.2857143 -0.2857143 -0.0000000), wk = 0.0036630 k( 163) = ( 0.3035714 -0.3035714 -0.0000000), wk = 0.0036630 k( 164) = ( 0.3214286 -0.3214286 -0.0000000), wk = 0.0036630 k( 165) = ( 0.3392857 -0.3392857 -0.0000000), wk = 0.0036630 k( 166) = ( 0.3571429 -0.3571429 -0.0000000), wk = 0.0036630 k( 167) = ( 0.3750000 -0.3750000 0.0000000), wk = 0.0036630 k( 168) = ( 0.3928571 -0.3928571 -0.0000000), wk = 0.0036630 k( 169) = ( 0.4107143 -0.4107143 -0.0000000), wk = 0.0036630 k( 170) = ( 0.4285714 -0.4285714 -0.0000000), wk = 0.0036630 k( 171) = ( 0.4464286 -0.4464286 0.0000000), wk = 0.0036630 k( 172) = ( 0.4642857 -0.4642857 -0.0000000), wk = 0.0036630 k( 173) = ( 0.4821429 -0.4821429 0.0000000), wk = 0.0036630 k( 174) = ( 0.5000000 -0.5000000 -0.0000000), wk = 0.0036630 k( 175) = ( 0.5000000 -0.5000000 -0.0000000), wk = 0.0036630 k( 176) = ( 0.5088108 -0.4911892 -0.0206010), wk = 0.0036630 k( 177) = ( 0.5176216 -0.4823784 -0.0412020), wk = 0.0036630 k( 178) = ( 0.5264323 -0.4735677 -0.0618030), wk = 0.0036630 k( 179) = ( 0.5352431 -0.4647569 -0.0824039), wk = 0.0036630 k( 180) = ( 0.5440539 -0.4559461 -0.1030049), wk = 0.0036630 k( 181) = ( 0.5528647 -0.4471353 -0.1236059), wk = 0.0036630 k( 182) = ( 0.5616755 -0.4383245 -0.1442069), wk = 0.0036630 k( 183) = ( 0.5704862 -0.4295138 -0.1648079), wk = 0.0036630 k( 184) = ( 0.5792970 -0.4207030 -0.1854089), wk = 0.0036630 k( 185) = ( 0.5881078 -0.4118922 -0.2060098), wk = 0.0036630 k( 186) = ( 0.5969186 -0.4030814 -0.2266108), wk = 0.0036630 k( 187) = ( 0.6057294 -0.3942706 -0.2472118), wk = 0.0036630 k( 188) = ( 0.6145402 -0.3854598 -0.2678128), wk = 0.0036630 k( 189) = ( 0.6233509 -0.3766490 -0.2884138), wk = 0.0036630 k( 190) = ( 0.6321617 -0.3678383 -0.3090147), wk = 0.0036630 k( 191) = ( 0.6409725 -0.3590275 -0.3296157), wk = 0.0036630 k( 192) = ( 0.6497833 -0.3502167 -0.3502167), wk = 0.0036630 k( 193) = ( 0.6497833 -0.3502167 -0.3502167), wk = 0.0036630 k( 194) = ( 0.6544640 -0.3455360 -0.3455360), wk = 0.0036630 k( 195) = ( 0.6591447 -0.3408552 -0.3408552), wk = 0.0036630 k( 196) = ( 0.6638255 -0.3361745 -0.3361745), wk = 0.0036630 k( 197) = ( 0.6685062 -0.3314938 -0.3314938), wk = 0.0036630 k( 198) = ( 0.6731869 -0.3268131 -0.3268131), wk = 0.0036630 k( 199) = ( 0.6778677 -0.3221323 -0.3221323), wk = 0.0036630 k( 200) = ( 0.6825484 -0.3174516 -0.3174516), wk = 0.0036630 k( 201) = ( 0.6872291 -0.3127709 -0.3127709), wk = 0.0036630 k( 202) = ( 0.6919098 -0.3080902 -0.3080902), wk = 0.0036630 k( 203) = ( 0.6965906 -0.3034094 -0.3034094), wk = 0.0036630 k( 204) = ( 0.7012713 -0.2987287 -0.2987287), wk = 0.0036630 k( 205) = ( 0.7059520 -0.2940480 -0.2940480), wk = 0.0036630 k( 206) = ( 0.7106328 -0.2893673 -0.2893673), wk = 0.0036630 k( 207) = ( 0.7153135 -0.2846865 -0.2846865), wk = 0.0036630 k( 208) = ( 0.7199942 -0.2800058 -0.2800058), wk = 0.0036630 k( 209) = ( 0.7246749 -0.2753251 -0.2753251), wk = 0.0036630 k( 210) = ( 0.7293557 -0.2706443 -0.2706443), wk = 0.0036630 k( 211) = ( 0.7340364 -0.2659636 -0.2659636), wk = 0.0036630 k( 212) = ( 0.7387171 -0.2612829 -0.2612829), wk = 0.0036630 k( 213) = ( 0.7433979 -0.2566021 -0.2566022), wk = 0.0036630 k( 214) = ( 0.7480786 -0.2519214 -0.2519214), wk = 0.0036630 k( 215) = ( 0.7527593 -0.2472407 -0.2472407), wk = 0.0036630 k( 216) = ( 0.7574400 -0.2425600 -0.2425600), wk = 0.0036630 k( 217) = ( 0.7621208 -0.2378792 -0.2378792), wk = 0.0036630 k( 218) = ( 0.7668015 -0.2331985 -0.2331985), wk = 0.0036630 k( 219) = ( 0.7714822 -0.2285178 -0.2285178), wk = 0.0036630 k( 220) = ( 0.7761629 -0.2238371 -0.2238371), wk = 0.0036630 k( 221) = ( 0.7808437 -0.2191563 -0.2191563), wk = 0.0036630 k( 222) = ( 0.7855244 -0.2144756 -0.2144756), wk = 0.0036630 k( 223) = ( 0.7902051 -0.2097949 -0.2097949), wk = 0.0036630 k( 224) = ( 0.7948859 -0.2051141 -0.2051141), wk = 0.0036630 k( 225) = ( 0.7995666 -0.2004334 -0.2004334), wk = 0.0036630 k( 226) = ( 0.7995666 -0.2004334 -0.2004334), wk = 0.0036630 k( 227) = ( 0.7829240 -0.1892982 -0.1892982), wk = 0.0036630 k( 228) = ( 0.7662814 -0.1781630 -0.1781630), wk = 0.0036630 k( 229) = ( 0.7496388 -0.1670279 -0.1670279), wk = 0.0036630 k( 230) = ( 0.7329962 -0.1558927 -0.1558927), wk = 0.0036630 k( 231) = ( 0.7163536 -0.1447575 -0.1447575), wk = 0.0036630 k( 232) = ( 0.6997111 -0.1336223 -0.1336223), wk = 0.0036630 k( 233) = ( 0.6830685 -0.1224871 -0.1224871), wk = 0.0036630 k( 234) = ( 0.6664259 -0.1113519 -0.1113519), wk = 0.0036630 k( 235) = ( 0.6497833 -0.1002167 -0.1002167), wk = 0.0036630 k( 236) = ( 0.6331407 -0.0890815 -0.0890815), wk = 0.0036630 k( 237) = ( 0.6164981 -0.0779463 -0.0779463), wk = 0.0036630 k( 238) = ( 0.5998555 -0.0668111 -0.0668111), wk = 0.0036630 k( 239) = ( 0.5832129 -0.0556760 -0.0556759), wk = 0.0036630 k( 240) = ( 0.5665704 -0.0445408 -0.0445408), wk = 0.0036630 k( 241) = ( 0.5499278 -0.0334056 -0.0334056), wk = 0.0036630 k( 242) = ( 0.5332852 -0.0222704 -0.0222704), wk = 0.0036630 k( 243) = ( 0.5166426 -0.0111352 -0.0111352), wk = 0.0036630 k( 244) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0036630 k( 245) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0036630 k( 246) = ( 0.5000000 -0.0178571 0.0178571), wk = 0.0036630 k( 247) = ( 0.5000000 -0.0357143 0.0357143), wk = 0.0036630 k( 248) = ( 0.5000000 -0.0535714 0.0535714), wk = 0.0036630 k( 249) = ( 0.5000000 -0.0714286 0.0714286), wk = 0.0036630 k( 250) = ( 0.5000000 -0.0892857 0.0892857), wk = 0.0036630 k( 251) = ( 0.5000000 -0.1071429 0.1071429), wk = 0.0036630 k( 252) = ( 0.5000000 -0.1250000 0.1250000), wk = 0.0036630 k( 253) = ( 0.5000000 -0.1428571 0.1428571), wk = 0.0036630 k( 254) = ( 0.5000000 -0.1607143 0.1607143), wk = 0.0036630 k( 255) = ( 0.5000000 -0.1785714 0.1785714), wk = 0.0036630 k( 256) = ( 0.5000000 -0.1964286 0.1964286), wk = 0.0036630 k( 257) = ( 0.5000000 -0.2142857 0.2142857), wk = 0.0036630 k( 258) = ( 0.5000000 -0.2321429 0.2321429), wk = 0.0036630 k( 259) = ( 0.5000000 -0.2500000 0.2500000), wk = 0.0036630 k( 260) = ( 0.5000000 -0.2678571 0.2678571), wk = 0.0036630 k( 261) = ( 0.5000000 -0.2857143 0.2857143), wk = 0.0036630 k( 262) = ( 0.5000000 -0.3035714 0.3035714), wk = 0.0036630 k( 263) = ( 0.5000000 -0.3214286 0.3214286), wk = 0.0036630 k( 264) = ( 0.5000000 -0.3392857 0.3392857), wk = 0.0036630 k( 265) = ( 0.5000000 -0.3571429 0.3571429), wk = 0.0036630 k( 266) = ( 0.5000000 -0.3750000 0.3750000), wk = 0.0036630 k( 267) = ( 0.5000000 -0.3928571 0.3928571), wk = 0.0036630 k( 268) = ( 0.5000000 -0.4107143 0.4107143), wk = 0.0036630 k( 269) = ( 0.5000000 -0.4285714 0.4285714), wk = 0.0036630 k( 270) = ( 0.5000000 -0.4464286 0.4464286), wk = 0.0036630 k( 271) = ( 0.5000000 -0.4642857 0.4642857), wk = 0.0036630 k( 272) = ( 0.5000000 -0.4821429 0.4821429), wk = 0.0036630 k( 273) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0036630 Dense grid: 24093 G-vectors FFT dimensions: ( 45, 45, 45) Smooth grid: 16677 G-vectors FFT dimensions: ( 40, 40, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.08 Mb ( 118, 44) NL pseudopotentials 0.08 Mb ( 59, 84) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 671) G-vector shells 0.00 Mb ( 546) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.32 Mb ( 118, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.11 Mb ( 84, 2, 44) The potential is recalculated from file : ./Se.save/charge-density.dat Starting wfc are 48 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.1 secs Computing kpt #: 2 total cpu time spent up to now is 1.4 secs Computing kpt #: 3 total cpu time spent up to now is 1.7 secs Computing kpt #: 4 total cpu time spent up to now is 1.9 secs Computing kpt #: 5 total cpu time spent up to now is 2.2 secs Computing kpt #: 6 total cpu time spent up to now is 2.5 secs Computing kpt #: 7 total cpu time spent up to now is 2.8 secs Computing kpt #: 8 total cpu time spent up to now is 3.0 secs Computing kpt #: 9 total cpu time spent up to now is 3.3 secs Computing kpt #: 10 total cpu time spent up to now is 3.6 secs Computing kpt #: 11 total cpu time spent up to now is 3.8 secs Computing kpt #: 12 total cpu time spent up to now is 4.1 secs Computing kpt #: 13 total cpu time spent up to now is 4.4 secs Computing kpt #: 14 total cpu time spent up to now is 4.7 secs Computing kpt #: 15 total cpu time spent up to now is 4.9 secs Computing kpt #: 16 total cpu time spent up to now is 5.2 secs Computing kpt #: 17 total cpu time spent up to now is 5.5 secs Computing kpt #: 18 total cpu time spent up to now is 5.8 secs Computing kpt #: 19 total cpu time spent up to now is 6.0 secs Computing kpt #: 20 total cpu time spent up to now is 6.3 secs Computing kpt #: 21 total cpu time spent up to now is 6.6 secs Computing kpt #: 22 total cpu time spent up to now is 6.8 secs Computing kpt #: 23 total cpu time spent up to now is 7.1 secs Computing kpt #: 24 total cpu time spent up to now is 7.4 secs Computing kpt #: 25 total cpu time spent up to now is 7.6 secs Computing kpt #: 26 total cpu time spent up to now is 7.9 secs Computing kpt #: 27 total cpu time spent up to now is 8.2 secs Computing kpt #: 28 total cpu time spent up to now is 8.5 secs Computing kpt #: 29 total cpu time spent up to now is 8.8 secs Computing kpt #: 30 total cpu time spent up to now is 9.0 secs Computing kpt #: 31 total cpu time spent up to now is 9.3 secs Computing kpt #: 32 total cpu time spent up to now is 9.6 secs Computing kpt #: 33 total cpu time spent up to now is 9.9 secs Computing kpt #: 34 total cpu time spent up to now is 10.2 secs Computing kpt #: 35 total cpu time spent up to now is 10.5 secs Computing kpt #: 36 total cpu time spent up to now is 10.8 secs Computing kpt #: 37 total cpu time spent up to now is 11.1 secs Computing kpt #: 38 total cpu time spent up to now is 11.3 secs Computing kpt #: 39 total cpu time spent up to now is 11.6 secs Computing kpt #: 40 total cpu time spent up to now is 11.9 secs Computing kpt #: 41 total cpu time spent up to now is 12.2 secs Computing kpt #: 42 total cpu time spent up to now is 12.5 secs Computing kpt #: 43 total cpu time spent up to now is 12.8 secs Computing kpt #: 44 total cpu time spent up to now is 13.1 secs Computing kpt #: 45 total cpu time spent up to now is 13.3 secs Computing kpt #: 46 total cpu time spent up to now is 13.6 secs Computing kpt #: 47 total cpu time spent up to now is 13.9 secs Computing kpt #: 48 total cpu time spent up to now is 14.2 secs Computing kpt #: 49 total cpu time spent up to now is 14.6 secs Computing kpt #: 50 total cpu time spent up to now is 14.9 secs Computing kpt #: 51 total cpu time spent up to now is 15.2 secs Computing kpt #: 52 total cpu time spent up to now is 15.5 secs Computing kpt #: 53 total cpu time spent up to now is 15.8 secs Computing kpt #: 54 total cpu time spent up to now is 16.1 secs Computing kpt #: 55 total cpu time spent up to now is 16.4 secs Computing kpt #: 56 total cpu time spent up to now is 16.6 secs Computing kpt #: 57 total cpu time spent up to now is 16.9 secs Computing kpt #: 58 total cpu time spent up to now is 17.2 secs Computing kpt #: 59 total cpu time spent up to now is 17.4 secs Computing kpt #: 60 total cpu time spent up to now is 17.7 secs Computing kpt #: 61 total cpu time spent up to now is 17.9 secs Computing kpt #: 62 total cpu time spent up to now is 18.2 secs Computing kpt #: 63 total cpu time spent up to now is 18.4 secs Computing kpt #: 64 total cpu time spent up to now is 18.7 secs Computing kpt #: 65 total cpu time spent up to now is 18.9 secs Computing kpt #: 66 total cpu time spent up to now is 19.1 secs Computing kpt #: 67 total cpu time spent up to now is 19.4 secs Computing kpt #: 68 total cpu time spent up to now is 19.6 secs Computing kpt #: 69 total cpu time spent up to now is 19.9 secs Computing kpt #: 70 total cpu time spent up to now is 20.1 secs Computing kpt #: 71 total cpu time spent up to now is 20.3 secs Computing kpt #: 72 total cpu time spent up to now is 20.6 secs Computing kpt #: 73 total cpu time spent up to now is 20.8 secs Computing kpt #: 74 total cpu time spent up to now is 21.1 secs Computing kpt #: 75 total cpu time spent up to now is 21.3 secs Computing kpt #: 76 total cpu time spent up to now is 21.6 secs Computing kpt #: 77 total cpu time spent up to now is 21.9 secs Computing kpt #: 78 total cpu time spent up to now is 22.1 secs Computing kpt #: 79 total cpu time spent up to now is 22.4 secs Computing kpt #: 80 total cpu time spent up to now is 22.6 secs Computing kpt #: 81 total cpu time spent up to now is 22.9 secs Computing kpt #: 82 total cpu time spent up to now is 23.2 secs Computing kpt #: 83 total cpu time spent up to now is 23.4 secs Computing kpt #: 84 total cpu time spent up to now is 23.7 secs Computing kpt #: 85 total cpu time spent up to now is 24.0 secs Computing kpt #: 86 total cpu time spent up to now is 24.2 secs Computing kpt #: 87 total cpu time spent up to now is 24.5 secs Computing kpt #: 88 total cpu time spent up to now is 24.8 secs Computing kpt #: 89 total cpu time spent up to now is 25.0 secs Computing kpt #: 90 total cpu time spent up to now is 25.3 secs Computing kpt #: 91 total cpu time spent up to now is 25.6 secs Computing kpt #: 92 total cpu time spent up to now is 25.9 secs Computing kpt #: 93 total cpu time spent up to now is 26.1 secs Computing kpt #: 94 total cpu time spent up to now is 26.4 secs Computing kpt #: 95 total cpu time spent up to now is 26.7 secs Computing kpt #: 96 total cpu time spent up to now is 27.0 secs Computing kpt #: 97 total cpu time spent up to now is 27.3 secs Computing kpt #: 98 total cpu time spent up to now is 27.6 secs Computing kpt #: 99 total cpu time spent up to now is 27.8 secs Computing kpt #: 100 total cpu time spent up to now is 28.1 secs Computing kpt #: 101 total cpu time spent up to now is 28.4 secs Computing kpt #: 102 total cpu time spent up to now is 28.7 secs Computing kpt #: 103 total cpu time spent up to now is 29.0 secs Computing kpt #: 104 total cpu time spent up to now is 29.3 secs Computing kpt #: 105 total cpu time spent up to now is 29.6 secs Computing kpt #: 106 total cpu time spent up to now is 29.9 secs Computing kpt #: 107 total cpu time spent up to now is 30.2 secs Computing kpt #: 108 total cpu time spent up to now is 30.5 secs Computing kpt #: 109 total cpu time spent up to now is 30.8 secs Computing kpt #: 110 total cpu time spent up to now is 31.1 secs Computing kpt #: 111 total cpu time spent up to now is 31.4 secs Computing kpt #: 112 total cpu time spent up to now is 31.7 secs Computing kpt #: 113 total cpu time spent up to now is 32.1 secs Computing kpt #: 114 total cpu time spent up to now is 32.4 secs Computing kpt #: 115 total cpu time spent up to now is 32.9 secs Computing kpt #: 116 total cpu time spent up to now is 33.3 secs Computing kpt #: 117 total cpu time spent up to now is 33.7 secs Computing kpt #: 118 total cpu time spent up to now is 34.0 secs Computing kpt #: 119 total cpu time spent up to now is 34.3 secs Computing kpt #: 120 total cpu time spent up to now is 34.6 secs Computing kpt #: 121 total cpu time spent up to now is 35.0 secs Computing kpt #: 122 total cpu time spent up to now is 35.3 secs Computing kpt #: 123 total cpu time spent up to now is 35.6 secs Computing kpt #: 124 total cpu time spent up 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Computing kpt #: 140 total cpu time spent up to now is 40.1 secs Computing kpt #: 141 total cpu time spent up to now is 40.4 secs Computing kpt #: 142 total cpu time spent up to now is 40.7 secs Computing kpt #: 143 total cpu time spent up to now is 40.9 secs Computing kpt #: 144 total cpu time spent up to now is 41.2 secs Computing kpt #: 145 total cpu time spent up to now is 41.4 secs Computing kpt #: 146 total cpu time spent up to now is 41.7 secs Computing kpt #: 147 total cpu time spent up to now is 42.0 secs Computing kpt #: 148 total cpu time spent up to now is 42.2 secs Computing kpt #: 149 total cpu time spent up to now is 42.5 secs Computing kpt #: 150 total cpu time spent up to now is 42.8 secs Computing kpt #: 151 total cpu time spent up to now is 43.1 secs Computing kpt #: 152 total cpu time spent up to now is 43.3 secs Computing kpt #: 153 total cpu time spent up to now is 43.6 secs Computing kpt #: 154 total cpu time spent up to now is 43.9 secs Computing kpt #: 155 total cpu time spent up to now is 44.2 secs Computing kpt #: 156 total cpu time spent up to now is 44.4 secs Computing kpt #: 157 total cpu time spent up to now is 44.7 secs Computing kpt #: 158 total cpu time spent up to now is 45.0 secs Computing kpt #: 159 total cpu time spent up to now is 45.2 secs Computing kpt #: 160 total cpu time spent up to now is 45.5 secs Computing kpt #: 161 total cpu time spent up to now is 45.8 secs Computing kpt #: 162 total cpu time spent up to now is 46.0 secs Computing kpt #: 163 total cpu time spent up to now is 46.3 secs Computing kpt #: 164 total cpu time spent up to now is 46.5 secs Computing kpt #: 165 total cpu time spent up to now is 46.8 secs Computing kpt #: 166 total cpu time spent up to now is 47.0 secs Computing kpt #: 167 total cpu time spent up to now is 47.3 secs Computing kpt #: 168 total cpu time spent up to now is 47.5 secs Computing kpt #: 169 total cpu time spent up to now is 47.8 secs Computing kpt #: 170 total cpu time spent up to now is 48.0 secs Computing kpt #: 171 total cpu time spent up to now is 48.3 secs Computing kpt #: 172 total cpu time spent up to now is 48.5 secs Computing kpt #: 173 total cpu time spent up to now is 48.8 secs Computing kpt #: 174 total cpu time spent up to now is 49.0 secs Computing kpt #: 175 total cpu time spent up to now is 49.3 secs Computing kpt #: 176 total cpu time spent up to now is 49.5 secs Computing kpt #: 177 total cpu time spent up to now is 49.8 secs Computing kpt #: 178 total cpu time spent up to now is 50.0 secs Computing kpt #: 179 total cpu time spent up to now is 50.3 secs Computing kpt #: 180 total cpu time spent up to now is 50.5 secs Computing kpt #: 181 total cpu time spent up to now is 50.8 secs Computing kpt #: 182 total cpu time spent up to now is 51.1 secs Computing kpt #: 183 total cpu time spent up to now is 51.3 secs Computing kpt #: 184 total cpu time spent up to now is 51.6 secs Computing kpt #: 185 total cpu time spent up to now is 51.8 secs Computing kpt #: 186 total cpu time spent up to now is 52.1 secs Computing kpt #: 187 total cpu time spent up to now is 52.4 secs Computing kpt #: 188 total cpu time spent up to now is 52.7 secs Computing kpt #: 189 total cpu time spent up to now is 52.9 secs Computing kpt #: 190 total cpu time spent up to now is 53.2 secs Computing kpt #: 191 total cpu time spent up to now is 53.5 secs Computing kpt #: 192 total cpu time spent up to now is 53.8 secs Computing kpt #: 193 total cpu time spent up to now is 54.1 secs Computing kpt #: 194 total cpu time spent up to now is 54.4 secs Computing kpt #: 195 total cpu time spent up to now is 54.6 secs Computing kpt #: 196 total cpu time spent up to now is 54.9 secs Computing kpt #: 197 total cpu time spent up to now is 55.2 secs Computing kpt #: 198 total cpu time spent up to now is 55.5 secs Computing kpt #: 199 total cpu time spent up to now is 55.8 secs Computing kpt #: 200 total cpu time spent up to now is 56.1 secs Computing kpt #: 201 total cpu time spent up to now is 56.4 secs Computing kpt #: 202 total cpu time spent up to now is 56.6 secs Computing kpt #: 203 total cpu time spent up to now is 56.9 secs Computing kpt #: 204 total cpu time spent up to now is 57.2 secs Computing kpt #: 205 total cpu time spent up to now is 57.5 secs Computing kpt #: 206 total cpu time spent up to now is 57.8 secs Computing kpt #: 207 total cpu time spent up to now is 58.1 secs Computing kpt #: 208 total cpu time spent up to now is 58.4 secs Computing kpt #: 209 total cpu time spent up to now is 58.7 secs Computing kpt #: 210 total cpu time spent up to now is 59.0 secs Computing kpt #: 211 total cpu time spent up to now is 59.3 secs Computing kpt #: 212 total cpu time spent up to now is 59.6 secs Computing kpt #: 213 total cpu time spent up to now is 59.9 secs Computing kpt #: 214 total cpu time spent up to now is 60.2 secs Computing kpt #: 215 total cpu time spent up to now is 60.4 secs Computing kpt #: 216 total cpu time spent up to now is 60.7 secs Computing kpt #: 217 total cpu time spent up to now is 61.0 secs Computing kpt #: 218 total cpu time spent up to now is 61.3 secs Computing kpt #: 219 total cpu time spent up to now is 61.6 secs Computing kpt #: 220 total cpu time spent up to now is 61.9 secs Computing kpt #: 221 total cpu time spent up to now is 62.1 secs Computing kpt #: 222 total cpu time spent up to now is 62.4 secs Computing kpt #: 223 total cpu time spent up to now is 62.7 secs Computing kpt #: 224 total cpu time spent up to now is 63.0 secs Computing kpt #: 225 total cpu time spent up to now is 63.2 secs Computing kpt #: 226 total cpu time spent up to now is 63.5 secs Computing kpt #: 227 total cpu time spent up to now is 63.8 secs Computing kpt #: 228 total cpu time spent up to now is 64.1 secs Computing kpt #: 229 total cpu time spent up to now is 64.4 secs Computing kpt #: 230 total cpu time spent up to now is 64.7 secs Computing kpt #: 231 total cpu time spent up to now is 65.0 secs Computing kpt #: 232 total cpu time spent up to now is 65.3 secs Computing kpt #: 233 total cpu time spent up to now is 65.6 secs Computing kpt #: 234 total cpu time spent up to now is 65.8 secs Computing kpt #: 235 total cpu time spent up to now is 66.1 secs Computing kpt #: 236 total cpu time spent up to now is 66.4 secs Computing kpt #: 237 total cpu time spent up to now is 66.6 secs Computing kpt #: 238 total cpu time spent up to now is 66.9 secs Computing kpt #: 239 total cpu time spent up to now is 67.2 secs Computing kpt #: 240 total cpu time spent up to now is 67.5 secs Computing kpt #: 241 total cpu time spent up to now is 67.8 secs Computing kpt #: 242 total cpu time spent up to now is 68.1 secs Computing kpt #: 243 total cpu time spent up to now is 68.3 secs Computing kpt #: 244 total cpu time spent up to now is 68.6 secs Computing kpt #: 245 total cpu time spent up to now is 68.9 secs Computing kpt #: 246 total cpu time spent up to now is 69.2 secs Computing kpt #: 247 total cpu time spent up to now is 69.5 secs Computing kpt #: 248 total cpu time spent up to now is 69.7 secs Computing kpt #: 249 total cpu time spent up to now is 70.0 secs Computing kpt #: 250 total cpu time spent up to now is 70.3 secs Computing kpt #: 251 total cpu time spent up to now is 70.6 secs Computing kpt #: 252 total cpu time spent up to now is 70.9 secs Computing kpt #: 253 total cpu time spent up to now is 71.1 secs Computing kpt #: 254 total cpu time spent up to now is 71.4 secs Computing kpt #: 255 total cpu time spent up to now is 71.7 secs Computing kpt #: 256 total cpu time spent up to now is 71.9 secs Computing kpt #: 257 total cpu time spent up to now is 72.2 secs Computing kpt #: 258 total cpu time spent up to now is 72.5 secs Computing kpt #: 259 total cpu time spent up to now is 72.7 secs Computing kpt #: 260 total cpu time spent up to now is 73.0 secs Computing kpt #: 261 total cpu time spent up to now is 73.2 secs Computing kpt #: 262 total cpu time spent up to now is 73.5 secs Computing kpt #: 263 total cpu time spent up to now is 73.8 secs Computing kpt #: 264 total cpu time spent up to now is 74.0 secs Computing kpt #: 265 total cpu time spent up to now is 74.3 secs Computing kpt #: 266 total cpu time spent up to now is 74.5 secs Computing kpt #: 267 total cpu time spent up to now is 74.8 secs Computing kpt #: 268 total cpu time spent up to now is 75.1 secs Computing kpt #: 269 total cpu time spent up to now is 75.3 secs Computing kpt #: 270 total cpu time spent up to now is 75.6 secs Computing kpt #: 271 total cpu time spent up to now is 75.8 secs Computing kpt #: 272 total cpu time spent up to now is 76.0 secs Computing kpt #: 273 total cpu time spent up to now is 76.3 secs ethr = 2.78E-08, avg # of iterations = 17.8 total cpu time spent up to now is 76.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2123 PWs) bands (ev): -11.3056 -11.3056 -9.5897 -9.5897 -9.5782 -9.5782 -7.3481 -7.3481 -7.3444 -7.3444 -5.6639 -5.6639 -1.1376 -1.1376 -0.4767 -0.4767 0.0622 0.0622 0.1089 0.1089 1.6846 1.6846 1.8369 1.8369 2.3469 2.3469 3.1826 3.1826 3.6630 3.6630 3.7469 3.7469 3.7598 3.7598 3.8304 3.8304 6.2076 6.2076 6.2802 6.2802 7.0636 7.0636 7.2485 7.2485 k = 0.0106-0.0168 0.0064 ( 2112 PWs) bands (ev): -11.3049 -11.3049 -9.5906 -9.5906 -9.5791 -9.5791 -7.3479 -7.3479 -7.3439 -7.3439 -5.6626 -5.6626 -1.1355 -1.1355 -0.4787 -0.4787 0.0631 0.0631 0.1099 0.1099 1.6830 1.6830 1.8351 1.8351 2.3453 2.3453 3.1838 3.1838 3.6620 3.6620 3.7273 3.7273 3.7799 3.7799 3.8319 3.8319 6.2008 6.2008 6.2744 6.2744 7.0718 7.0718 7.2477 7.2477 k = 0.0212-0.0335 0.0127 ( 2104 PWs) bands (ev): -11.3028 -11.3028 -9.5937 -9.5937 -9.5817 -9.5817 -7.3489 -7.3489 -7.3410 -7.3410 -5.6589 -5.6589 -1.1290 -1.1290 -0.4847 -0.4847 0.0655 0.0655 0.1131 0.1131 1.6781 1.6781 1.8299 1.8299 2.3405 2.3405 3.1871 3.1871 3.6582 3.6582 3.7040 3.7040 3.8037 3.8037 3.8376 3.8376 6.1775 6.1775 6.2612 6.2612 7.0928 7.0928 7.2457 7.2457 k = 0.0318-0.0503 0.0191 ( 2103 PWs) bands (ev): -11.2992 -11.2992 -9.5994 -9.5994 -9.5854 -9.5854 -7.3514 -7.3514 -7.3354 -7.3354 -5.6528 -5.6528 -1.1184 -1.1184 -0.4944 -0.4944 0.0688 0.0688 0.1188 0.1188 1.6698 1.6698 1.8214 1.8214 2.3330 2.3330 3.1922 3.1922 3.6499 3.6499 3.6833 3.6833 3.8209 3.8209 3.8525 3.8525 6.1363 6.1363 6.2478 6.2478 7.1167 7.1167 7.2444 7.2444 k = 0.0425-0.0670 0.0255 ( 2101 PWs) bands (ev): -11.2942 -11.2942 -9.6081 -9.6081 -9.5896 -9.5896 -7.3549 -7.3549 -7.3274 -7.3274 -5.6444 -5.6444 -1.1034 -1.1034 -0.5075 -0.5075 0.0720 0.0720 0.1276 0.1276 1.6582 1.6582 1.8100 1.8100 2.3235 2.3235 3.1984 3.1984 3.6356 3.6356 3.6669 3.6669 3.8305 3.8305 3.8768 3.8768 6.0817 6.0817 6.2355 6.2355 7.1292 7.1292 7.2488 7.2488 k = 0.0531-0.0838 0.0319 ( 2095 PWs) bands (ev): -11.2878 -11.2878 -9.6197 -9.6197 -9.5944 -9.5944 -7.3592 -7.3592 -7.3173 -7.3173 -5.6340 -5.6340 -1.0843 -1.0843 -0.5234 -0.5234 0.0748 0.0748 0.1393 0.1393 1.6432 1.6432 1.7959 1.7959 2.3127 2.3127 3.2049 3.2049 3.6168 3.6168 3.6529 3.6529 3.8377 3.8377 3.9046 3.9046 6.0203 6.0203 6.2235 6.2235 7.1233 7.1233 7.2594 7.2594 k = 0.0637-0.1006 0.0382 ( 2093 PWs) bands (ev): -11.2800 -11.2800 -9.6338 -9.6338 -9.5999 -9.5999 -7.3642 -7.3642 -7.3055 -7.3055 -5.6216 -5.6216 -1.0610 -1.0610 -0.5416 -0.5416 0.0771 0.0771 0.1536 0.1536 1.6251 1.6251 1.7794 1.7794 2.3015 2.3015 3.2109 3.2109 3.5965 3.5965 3.6386 3.6386 3.8438 3.8438 3.9328 3.9328 5.9575 5.9575 6.2113 6.2113 7.1041 7.1041 7.2706 7.2706 k = 0.0743-0.1173 0.0446 ( 2093 PWs) bands (ev): -11.2709 -11.2709 -9.6503 -9.6503 -9.6062 -9.6062 -7.3696 -7.3696 -7.2920 -7.2920 -5.6075 -5.6075 -1.0335 -1.0335 -0.5618 -0.5618 0.0790 0.0790 0.1699 0.1699 1.6041 1.6041 1.7604 1.7604 2.2908 2.2908 3.2153 3.2153 3.5760 3.5760 3.6230 3.6230 3.8486 3.8486 3.9598 3.9598 5.8972 5.8972 6.1991 6.1991 7.0784 7.0784 7.2809 7.2809 k = 0.0849-0.1341 0.0510 ( 2091 PWs) bands (ev): -11.2606 -11.2606 -9.6687 -9.6687 -9.6134 -9.6134 -7.3752 -7.3752 -7.2771 -7.2771 -5.5921 -5.5921 -1.0021 -1.0021 -0.5835 -0.5835 0.0809 0.0809 0.1875 0.1875 1.5807 1.5807 1.7392 1.7392 2.2812 2.2812 3.2174 3.2174 3.5553 3.5553 3.6065 3.6065 3.8510 3.8510 3.9846 3.9846 5.8423 5.8423 6.1876 6.1876 7.0499 7.0499 7.2914 7.2914 k = 0.0955-0.1509 0.0574 ( 2095 PWs) bands (ev): -11.2489 -11.2489 -9.6889 -9.6889 -9.6214 -9.6214 -7.3809 -7.3809 -7.2612 -7.2612 -5.5754 -5.5754 -0.9666 -0.9666 -0.6064 -0.6064 0.0828 0.0828 0.2058 0.2058 1.5554 1.5554 1.7155 1.7155 2.2733 2.2733 3.2163 3.2163 3.5337 3.5337 3.5904 3.5904 3.8501 3.8501 4.0062 4.0062 5.7954 5.7954 6.1774 6.1774 7.0201 7.0201 7.3026 7.3026 k = 0.1061-0.1676 0.0637 ( 2093 PWs) bands (ev): -11.2361 -11.2361 -9.7105 -9.7105 -9.6304 -9.6304 -7.3862 -7.3862 -7.2444 -7.2444 -5.5579 -5.5579 -0.9274 -0.9274 -0.6300 -0.6300 0.0852 0.0852 0.2244 0.2244 1.5286 1.5286 1.6896 1.6896 2.2676 2.2676 3.2117 3.2117 3.5103 3.5103 3.5757 3.5757 3.8450 3.8450 4.0237 4.0237 5.7581 5.7581 6.1695 6.1695 6.9904 6.9904 7.3153 7.3153 k = 0.1167-0.1844 0.0701 ( 2091 PWs) bands (ev): -11.2221 -11.2221 -9.7334 -9.7334 -9.6402 -9.6402 -7.3912 -7.3912 -7.2272 -7.2272 -5.5397 -5.5397 -0.8846 -0.8846 -0.6540 -0.6540 0.0880 0.0880 0.2429 0.2429 1.5010 1.5010 1.6614 1.6614 2.2641 2.2641 3.2034 3.2034 3.4844 3.4844 3.5631 3.5631 3.8348 3.8348 4.0367 4.0367 5.7315 5.7315 6.1649 6.1649 6.9613 6.9613 7.3294 7.3294 k = 0.1274-0.2011 0.0765 ( 2089 PWs) bands (ev): -11.2070 -11.2070 -9.7572 -9.7572 -9.6509 -9.6509 -7.3955 -7.3955 -7.2098 -7.2098 -5.5211 -5.5211 -0.8390 -0.8390 -0.6774 -0.6774 0.0915 0.0915 0.2609 0.2609 1.4728 1.4728 1.6313 1.6313 2.2627 2.2627 3.1918 3.1918 3.4559 3.4559 3.5523 3.5523 3.8191 3.8191 4.0449 4.0449 5.7159 5.7159 6.1648 6.1648 6.9333 6.9333 7.3448 7.3448 k = 0.1380-0.2179 0.0829 ( 2085 PWs) bands (ev): -11.1910 -11.1910 -9.7816 -9.7816 -9.6625 -9.6625 -7.3990 -7.3990 -7.1924 -7.1924 -5.5024 -5.5024 -0.7932 -0.7932 -0.6976 -0.6976 0.0957 0.0957 0.2783 0.2783 1.4443 1.4443 1.5993 1.5993 2.2631 2.2631 3.1772 3.1772 3.4251 3.4251 3.5425 3.5425 3.7980 3.7980 4.0485 4.0485 5.7108 5.7108 6.1702 6.1702 6.9068 6.9068 7.3616 7.3616 k = 0.1486-0.2347 0.0892 ( 2085 PWs) bands (ev): -11.1741 -11.1741 -9.8064 -9.8064 -9.6750 -9.6750 -7.4016 -7.4016 -7.1755 -7.1755 -5.4837 -5.4837 -0.7630 -0.7630 -0.6987 -0.6987 0.1009 0.1009 0.2947 0.2947 1.4159 1.4159 1.5659 1.5659 2.2650 2.2650 3.1602 3.1602 3.3926 3.3926 3.5327 3.5327 3.7722 3.7722 4.0476 4.0476 5.7151 5.7151 6.1820 6.1820 6.8819 6.8819 7.3796 7.3796 k = 0.1592-0.2514 0.0956 ( 2077 PWs) bands (ev): -11.1565 -11.1565 -9.8313 -9.8313 -9.6882 -9.6882 -7.4030 -7.4030 -7.1592 -7.1592 -5.4652 -5.4652 -0.7712 -0.7712 -0.6577 -0.6577 0.1070 0.1070 0.3099 0.3099 1.3876 1.3876 1.5314 1.5314 2.2678 2.2678 3.1416 3.1416 3.3587 3.3587 3.5220 3.5220 3.7426 3.7426 4.0427 4.0427 5.7273 5.7273 6.2011 6.2011 6.8591 6.8591 7.3985 7.3985 k = 0.1698-0.2682 0.1020 ( 2080 PWs) bands (ev): -11.1381 -11.1381 -9.8561 -9.8561 -9.7022 -9.7022 -7.4032 -7.4032 -7.1439 -7.1439 -5.4471 -5.4471 -0.7925 -0.7925 -0.6002 -0.6002 0.1141 0.1141 0.3238 0.3238 1.3594 1.3594 1.4961 1.4961 2.2707 2.2707 3.1219 3.1219 3.3240 3.3240 3.5096 3.5096 3.7107 3.7107 4.0340 4.0340 5.7457 5.7457 6.2277 6.2277 6.8383 6.8383 7.4181 7.4181 k = 0.1804-0.2850 0.1084 ( 2079 PWs) bands (ev): -11.1193 -11.1193 -9.8804 -9.8804 -9.7170 -9.7170 -7.4021 -7.4021 -7.1298 -7.1298 -5.4296 -5.4296 -0.8160 -0.8160 -0.5369 -0.5369 0.1222 0.1222 0.3363 0.3363 1.3314 1.3314 1.4604 1.4604 2.2731 2.2731 3.1019 3.1019 3.2888 3.2888 3.4950 3.4950 3.6780 3.6780 4.0219 4.0219 5.7690 5.7690 6.2617 6.2617 6.8200 6.8200 7.4381 7.4381 k = 0.1910-0.3017 0.1147 ( 2082 PWs) bands (ev): -11.1001 -11.1001 -9.9040 -9.9040 -9.7324 -9.7324 -7.3996 -7.3996 -7.1172 -7.1172 -5.4127 -5.4127 -0.8398 -0.8398 -0.4697 -0.4697 0.1314 0.1314 0.3472 0.3472 1.3034 1.3034 1.4245 1.4245 2.2742 2.2742 3.0823 3.0823 3.2537 3.2537 3.4781 3.4781 3.6458 3.6458 4.0069 4.0069 5.7958 5.7958 6.3022 6.3022 6.8044 6.8044 7.4580 7.4580 k = 0.2016-0.3185 0.1211 ( 2079 PWs) bands (ev): -11.0808 -11.0808 -9.9265 -9.9265 -9.7484 -9.7484 -7.3956 -7.3956 -7.1064 -7.1064 -5.3966 -5.3966 -0.8632 -0.8632 -0.3996 -0.3996 0.1418 0.1418 0.3564 0.3564 1.2753 1.2753 1.3888 1.3888 2.2733 2.2733 3.0637 3.0637 3.2194 3.2194 3.4589 3.4589 3.6150 3.6150 3.9893 3.9893 5.8253 5.8253 6.3478 6.3478 6.7921 6.7921 7.4776 7.4776 k = 0.2123-0.3352 0.1275 ( 2075 PWs) bands (ev): -11.0615 -11.0615 -9.9477 -9.9477 -9.7649 -9.7649 -7.3901 -7.3901 -7.0974 -7.0974 -5.3813 -5.3813 -0.8859 -0.8859 -0.3269 -0.3269 0.1533 0.1533 0.3638 0.3638 1.2469 1.2469 1.3533 1.3533 2.2699 2.2699 3.0466 3.0466 3.1865 3.1865 3.4376 3.4376 3.5865 3.5865 3.9694 3.9694 5.8569 5.8569 6.3964 6.3964 6.7840 6.7840 7.4962 7.4962 k = 0.2229-0.3520 0.1339 ( 2071 PWs) bands (ev): -11.0425 -11.0425 -9.9673 -9.9673 -9.7819 -9.7819 -7.3831 -7.3831 -7.0906 -7.0906 -5.3669 -5.3669 -0.9076 -0.9076 -0.2522 -0.2522 0.1660 0.1660 0.3695 0.3695 1.2179 1.2179 1.3182 1.3182 2.2635 2.2635 3.0314 3.0314 3.1558 3.1558 3.4144 3.4144 3.5609 3.5609 3.9478 3.9478 5.8902 5.8902 6.4447 6.4447 6.7819 6.7819 7.5128 7.5128 k = 0.2335-0.3688 0.1402 ( 2073 PWs) bands (ev): -11.0239 -11.0239 -9.9851 -9.9851 -9.7993 -9.7993 -7.3746 -7.3746 -7.0861 -7.0861 -5.3534 -5.3534 -0.9283 -0.9283 -0.1762 -0.1762 0.1801 0.1801 0.3735 0.3735 1.1882 1.1882 1.2835 1.2835 2.2542 2.2542 3.0179 3.0179 3.1284 3.1284 3.3893 3.3893 3.5390 3.5390 3.9248 3.9248 5.9249 5.9249 6.4884 6.4884 6.7880 6.7880 7.5263 7.5263 k = 0.2441-0.3855 0.1466 ( 2077 PWs) bands (ev): -11.0061 -11.0061 -10.0006 -10.0006 -9.8169 -9.8169 -7.3647 -7.3647 -7.0840 -7.0840 -5.3409 -5.3409 -0.9476 -0.9476 -0.1000 -0.1000 0.1960 0.1960 0.3760 0.3760 1.1577 1.1577 1.2489 1.2489 2.2424 2.2424 3.0055 3.0055 3.1053 3.1053 3.3623 3.3623 3.5216 3.5216 3.9006 3.9006 5.9607 5.9607 6.5228 6.5228 6.8054 6.8054 7.5352 7.5352 k = 0.2547-0.4023 0.1530 ( 2077 PWs) bands (ev): -10.9892 -10.9892 -10.0136 -10.0136 -9.8348 -9.8348 -7.3533 -7.3533 -7.0845 -7.0845 -5.3294 -5.3294 -0.9655 -0.9655 -0.0253 -0.0253 0.2146 0.2146 0.3775 0.3775 1.1262 1.1262 1.2144 1.2144 2.2288 2.2288 2.9932 2.9932 3.0877 3.0877 3.3336 3.3336 3.5092 3.5092 3.8755 3.8755 5.9975 5.9975 6.5444 6.5444 6.8357 6.8357 7.5387 7.5387 k = 0.2653-0.4190 0.1594 ( 2083 PWs) bands (ev): -10.9736 -10.9736 -10.0239 -10.0239 -9.8528 -9.8528 -7.3405 -7.3405 -7.0875 -7.0875 -5.3188 -5.3188 -0.9818 -0.9818 0.0446 0.0446 0.2373 0.2373 0.3793 0.3793 1.0939 1.0939 1.1794 1.1794 2.2143 2.2143 2.9804 2.9804 3.0759 3.0759 3.3035 3.3035 3.5024 3.5024 3.8496 3.8496 6.0348 6.0348 6.5533 6.5533 6.8766 6.8766 7.5377 7.5377 k = 0.2759-0.4358 0.1657 ( 2077 PWs) bands (ev): -10.9595 -10.9595 -10.0312 -10.0312 -9.8708 -9.8708 -7.3265 -7.3265 -7.0932 -7.0932 -5.3092 -5.3092 -0.9964 -0.9964 0.1047 0.1047 0.2655 0.2655 0.3848 0.3848 1.0608 1.0608 1.1436 1.1436 2.1999 2.1999 2.9673 2.9673 3.0692 3.0692 3.2730 3.2730 3.5012 3.5012 3.8232 3.8232 6.0727 6.0727 6.5520 6.5520 6.9233 6.9233 7.5351 7.5351 k = 0.2865-0.4526 0.1721 ( 2076 PWs) bands (ev): -10.9471 -10.9471 -10.0353 -10.0353 -9.8888 -9.8888 -7.3112 -7.3112 -7.1014 -7.1014 -5.3006 -5.3006 -1.0092 -1.0092 0.1499 0.1499 0.2941 0.2941 0.4035 0.4035 1.0270 1.0270 1.1067 1.1067 2.1863 2.1863 2.9549 2.9549 3.0661 3.0661 3.2429 3.2429 3.5054 3.5054 3.7962 3.7962 6.1107 6.1107 6.5431 6.5431 6.9706 6.9706 7.5340 7.5340 k = 0.2972-0.4693 0.1785 ( 2084 PWs) bands (ev): -10.9365 -10.9365 -10.0361 -10.0361 -9.9067 -9.9067 -7.2948 -7.2948 -7.1123 -7.1123 -5.2931 -5.2931 -1.0201 -1.0201 0.1805 0.1805 0.3099 0.3099 0.4479 0.4479 0.9926 0.9926 1.0685 1.0685 2.1742 2.1742 2.9439 2.9439 3.0649 3.0649 3.2147 3.2147 3.5148 3.5148 3.7687 3.7687 6.1485 6.1485 6.5285 6.5285 7.0142 7.0142 7.5375 7.5375 k = 0.3078-0.4861 0.1849 ( 2083 PWs) bands (ev): -10.9279 -10.9279 -10.0335 -10.0335 -9.9243 -9.9243 -7.2774 -7.2774 -7.1255 -7.1255 -5.2865 -5.2865 -1.0291 -1.0291 0.2013 0.2013 0.3122 0.3122 0.5139 0.5139 0.9577 0.9577 1.0291 1.0291 2.1640 2.1640 2.9352 2.9352 3.0638 3.0638 3.1901 3.1901 3.5288 3.5288 3.7410 3.7410 6.1857 6.1857 6.5094 6.5094 7.0508 7.0508 7.5479 7.5479 k = 0.3184-0.5029 0.1912 ( 2079 PWs) bands (ev): -10.9213 -10.9213 -10.0276 -10.0276 -9.9416 -9.9416 -7.2591 -7.2591 -7.1411 -7.1411 -5.2809 -5.2809 -1.0360 -1.0360 0.2155 0.2155 0.3083 0.3083 0.5899 0.5899 0.9225 0.9225 0.9888 0.9888 2.1558 2.1558 2.9290 2.9290 3.0617 3.0617 3.1709 3.1709 3.5468 3.5468 3.7131 3.7131 6.2214 6.2214 6.4870 6.4870 7.0784 7.0784 7.5662 7.5662 k = 0.3290-0.5196 0.1976 ( 2079 PWs) bands (ev): -10.9167 -10.9167 -10.0185 -10.0185 -9.9585 -9.9585 -7.2400 -7.2400 -7.1589 -7.1589 -5.2764 -5.2764 -1.0411 -1.0411 0.2248 0.2248 0.3024 0.3024 0.6695 0.6695 0.8869 0.8869 0.9483 0.9483 2.1491 2.1491 2.9251 2.9251 3.0580 3.0580 3.1586 3.1586 3.5680 3.5680 3.6854 3.6854 6.2539 6.2539 6.4629 6.4629 7.0968 7.0968 7.5915 7.5915 k = 0.3396-0.5364 0.2040 ( 2082 PWs) bands (ev): -10.9139 -10.9139 -10.0065 -10.0065 -9.9747 -9.9747 -7.2203 -7.2203 -7.1785 -7.1785 -5.2730 -5.2730 -1.0441 -1.0441 0.2292 0.2292 0.2969 0.2969 0.7479 0.7479 0.8514 0.8514 0.9096 0.9096 2.1437 2.1437 2.9231 2.9231 3.0536 3.0536 3.1533 3.1533 3.5905 3.5905 3.6594 3.6594 6.2791 6.2791 6.4413 6.4413 7.1067 7.1067 7.6212 7.6212 k = 0.3502-0.5531 0.2104 ( 2074 PWs) bands (ev): -10.9129 -10.9129 -9.9953 -9.9953 -9.9869 -9.9869 -7.2020 -7.2020 -7.1979 -7.1979 -5.2706 -5.2706 -1.0452 -1.0452 0.2286 0.2286 0.2932 0.2932 0.8030 0.8030 0.8249 0.8249 0.8851 0.8851 2.1391 2.1391 2.9221 2.9221 3.0509 3.0509 3.1544 3.1544 3.6047 3.6047 3.6441 3.6441 6.2888 6.2888 6.4309 6.4309 7.1096 7.1096 7.6446 7.6446 k = 0.3502-0.5531 0.2104 ( 2074 PWs) bands (ev): -10.9129 -10.9129 -9.9953 -9.9953 -9.9869 -9.9869 -7.2020 -7.2020 -7.1979 -7.1979 -5.2706 -5.2706 -1.0452 -1.0452 0.2286 0.2286 0.2932 0.2932 0.8030 0.8030 0.8249 0.8249 0.8851 0.8851 2.1391 2.1391 2.9221 2.9221 3.0509 3.0509 3.1544 3.1544 3.6047 3.6047 3.6441 3.6441 6.2888 6.2888 6.4309 6.4309 7.1096 7.1096 7.6446 7.6446 k = 0.3549-0.5457 0.2298 ( 2080 PWs) bands (ev): -10.9108 -10.9108 -9.9925 -9.9925 -9.9840 -9.9840 -7.2098 -7.2098 -7.2056 -7.2056 -5.2545 -5.2545 -1.0465 -1.0465 0.2005 0.2005 0.2662 0.2662 0.8190 0.8190 0.8284 0.8284 0.8975 0.8975 2.0958 2.0958 2.9156 2.9156 3.0396 3.0396 3.1925 3.1925 3.6042 3.6042 3.6430 3.6430 6.2758 6.2758 6.4206 6.4206 7.1044 7.1044 7.6562 7.6562 k = 0.3596-0.5384 0.2492 ( 2098 PWs) bands (ev): -10.9084 -10.9084 -9.9890 -9.9890 -9.9806 -9.9806 -7.2178 -7.2178 -7.2135 -7.2135 -5.2392 -5.2392 -1.0471 -1.0471 0.1702 0.1702 0.2368 0.2368 0.8288 0.8288 0.8351 0.8351 0.9109 0.9109 2.0484 2.0484 2.9087 2.9087 3.0284 3.0284 3.2362 3.2362 3.6011 3.6011 3.6386 3.6386 6.2659 6.2659 6.4133 6.4133 7.0922 7.0922 7.6692 7.6692 k = 0.3643-0.5310 0.2687 ( 2092 PWs) bands (ev): -10.9057 -10.9057 -9.9850 -9.9850 -9.9765 -9.9765 -7.2259 -7.2259 -7.2215 -7.2215 -5.2250 -5.2250 -1.0470 -1.0470 0.1385 0.1385 0.2058 0.2058 0.8266 0.8266 0.8509 0.8509 0.9247 0.9247 1.9984 1.9984 2.9018 2.9018 3.0173 3.0173 3.2835 3.2835 3.5963 3.5963 3.6313 3.6313 6.2585 6.2585 6.4085 6.4085 7.0738 7.0738 7.6844 7.6844 k = 0.3689-0.5236 0.2881 ( 2086 PWs) bands (ev): -10.9027 -10.9027 -9.9804 -9.9804 -9.9719 -9.9719 -7.2340 -7.2340 -7.2296 -7.2296 -5.2117 -5.2117 -1.0462 -1.0462 0.1057 0.1057 0.1735 0.1735 0.8220 0.8220 0.8660 0.8660 0.9383 0.9383 1.9469 1.9469 2.8949 2.8949 3.0065 3.0065 3.3317 3.3317 3.5914 3.5914 3.6210 3.6210 6.2528 6.2528 6.4052 6.4052 7.0501 7.0501 7.7022 7.7022 k = 0.3736-0.5162 0.3076 ( 2092 PWs) bands (ev): -10.8995 -10.8995 -9.9753 -9.9753 -9.9668 -9.9668 -7.2423 -7.2423 -7.2379 -7.2379 -5.1994 -5.1994 -1.0447 -1.0447 0.0722 0.0722 0.1403 0.1403 0.8153 0.8153 0.8802 0.8802 0.9512 0.9512 1.8948 1.8948 2.8881 2.8881 2.9960 2.9960 3.3771 3.3771 3.5893 3.5893 3.6082 3.6082 6.2480 6.2480 6.4026 6.4026 7.0221 7.0221 7.7228 7.7228 k = 0.3783-0.5088 0.3270 ( 2107 PWs) bands (ev): -10.8961 -10.8961 -9.9697 -9.9697 -9.9612 -9.9612 -7.2507 -7.2507 -7.2462 -7.2462 -5.1882 -5.1882 -1.0426 -1.0426 0.0381 0.0381 0.1065 0.1065 0.8068 0.8068 0.8932 0.8932 0.9632 0.9632 1.8425 1.8425 2.8817 2.8817 2.9859 2.9859 3.4133 3.4133 3.5931 3.5931 3.5958 3.5958 6.2434 6.2434 6.3999 6.3999 6.9905 6.9905 7.7468 7.7468 k = 0.3830-0.5014 0.3464 ( 2095 PWs) bands (ev): -10.8924 -10.8924 -9.9637 -9.9637 -9.9551 -9.9551 -7.2591 -7.2591 -7.2545 -7.2545 -5.1778 -5.1778 -1.0396 -1.0396 0.0039 0.0039 0.0726 0.0726 0.7967 0.7967 0.9049 0.9049 0.9740 0.9740 1.7910 1.7910 2.8757 2.8757 2.9764 2.9764 3.4329 3.4329 3.5762 3.5762 3.6181 3.6181 6.2384 6.2384 6.3963 6.3963 6.9568 6.9568 7.7746 7.7746 k = 0.3877-0.4940 0.3659 ( 2095 PWs) bands (ev): -10.8885 -10.8885 -9.9572 -9.9572 -9.9486 -9.9486 -7.2676 -7.2676 -7.2630 -7.2630 -5.1685 -5.1685 -1.0360 -1.0360 -0.0302 -0.0302 0.0387 0.0387 0.7850 0.7850 0.9151 0.9151 0.9835 0.9835 1.7405 1.7405 2.8703 2.8703 2.9674 2.9674 3.4350 3.4350 3.5579 3.5579 3.6570 3.6570 6.2322 6.2322 6.3911 6.3911 6.9213 6.9213 7.8062 7.8062 k = 0.3923-0.4866 0.3853 ( 2095 PWs) bands (ev): -10.8845 -10.8845 -9.9504 -9.9504 -9.9418 -9.9418 -7.2761 -7.2761 -7.2715 -7.2715 -5.1601 -5.1601 -1.0317 -1.0317 -0.0641 -0.0641 0.0051 0.0051 0.7720 0.7720 0.9237 0.9237 0.9914 0.9914 1.6913 1.6913 2.8655 2.8655 2.9590 2.9590 3.4253 3.4253 3.5385 3.5385 3.7063 3.7063 6.2244 6.2244 6.3839 6.3839 6.8845 6.8845 7.8416 7.8416 k = 0.3970-0.4792 0.4048 ( 2089 PWs) bands (ev): -10.8802 -10.8802 -9.9433 -9.9433 -9.9347 -9.9347 -7.2847 -7.2847 -7.2800 -7.2800 -5.1527 -5.1527 -1.0268 -1.0268 -0.0975 -0.0975 -0.0281 -0.0281 0.7577 0.7577 0.9307 0.9307 0.9977 0.9977 1.6439 1.6439 2.8615 2.8615 2.9515 2.9515 3.4094 3.4094 3.5184 3.5184 3.7608 3.7608 6.2147 6.2147 6.3744 6.3744 6.8471 6.8471 7.8808 7.8808 k = 0.4017-0.4718 0.4242 ( 2083 PWs) bands (ev): -10.8759 -10.8759 -9.9360 -9.9360 -9.9273 -9.9273 -7.2932 -7.2932 -7.2884 -7.2884 -5.1461 -5.1461 -1.0211 -1.0211 -0.1302 -0.1302 -0.0606 -0.0606 0.7422 0.7422 0.9361 0.9361 1.0024 1.0024 1.5983 1.5983 2.8582 2.8582 2.9447 2.9447 3.3903 3.3903 3.4980 3.4980 3.8172 3.8172 6.2029 6.2029 6.3624 6.3624 6.8096 6.8096 7.9234 7.9234 k = 0.4064-0.4644 0.4436 ( 2083 PWs) bands (ev): -10.8715 -10.8715 -9.9284 -9.9284 -9.9196 -9.9196 -7.3017 -7.3017 -7.2969 -7.2969 -5.1404 -5.1404 -1.0148 -1.0148 -0.1622 -0.1622 -0.0923 -0.0923 0.7258 0.7258 0.9398 0.9398 1.0053 1.0053 1.5549 1.5549 2.8558 2.8558 2.9389 2.9389 3.3694 3.3694 3.4776 3.4776 3.8739 3.8739 6.1888 6.1888 6.3479 6.3479 6.7725 6.7725 7.9692 7.9692 k = 0.4111-0.4570 0.4631 ( 2089 PWs) bands (ev): -10.8670 -10.8670 -9.9206 -9.9206 -9.9119 -9.9119 -7.3101 -7.3101 -7.3053 -7.3053 -5.1356 -5.1356 -1.0080 -1.0080 -0.1932 -0.1932 -0.1230 -0.1230 0.7084 0.7084 0.9419 0.9419 1.0066 1.0066 1.5136 1.5136 2.8541 2.8541 2.9340 2.9340 3.3478 3.3478 3.4574 3.4574 3.9300 3.9300 6.1726 6.1726 6.3309 6.3309 6.7357 6.7357 8.0175 8.0175 k = 0.4157-0.4496 0.4825 ( 2089 PWs) bands (ev): -10.8625 -10.8625 -9.9128 -9.9128 -9.9040 -9.9040 -7.3185 -7.3185 -7.3136 -7.3136 -5.1315 -5.1315 -1.0005 -1.0005 -0.2231 -0.2231 -0.1527 -0.1527 0.6902 0.6902 0.9424 0.9424 1.0062 1.0062 1.4748 1.4748 2.8534 2.8534 2.9300 2.9300 3.3262 3.3262 3.4377 3.4377 3.9847 3.9847 6.1545 6.1545 6.3119 6.3119 6.6997 6.6997 8.0679 8.0679 k = 0.4204-0.4422 0.5020 ( 2089 PWs) bands (ev): -10.8579 -10.8579 -9.9049 -9.9049 -9.8960 -9.8960 -7.3267 -7.3267 -7.3218 -7.3218 -5.1281 -5.1281 -0.9925 -0.9925 -0.2517 -0.2517 -0.1811 -0.1811 0.6713 0.6713 0.9414 0.9414 1.0043 1.0043 1.4383 1.4383 2.8535 2.8535 2.9272 2.9272 3.3049 3.3049 3.4186 3.4186 4.0378 4.0378 6.1346 6.1346 6.2911 6.2911 6.6649 6.6649 8.1197 8.1197 k = 0.4251-0.4349 0.5214 ( 2089 PWs) bands (ev): -10.8534 -10.8534 -9.8970 -9.8970 -9.8881 -9.8881 -7.3347 -7.3347 -7.3298 -7.3298 -5.1254 -5.1254 -0.9841 -0.9841 -0.2791 -0.2791 -0.2082 -0.2082 0.6519 0.6519 0.9390 0.9390 1.0009 1.0009 1.4044 1.4044 2.8545 2.8545 2.9253 2.9253 3.2842 3.2842 3.4003 3.4003 4.0887 4.0887 6.1133 6.1133 6.2689 6.2689 6.6314 6.6314 8.1521 8.1521 k = 0.4298-0.4275 0.5408 ( 2080 PWs) bands (ev): -10.8490 -10.8490 -9.8891 -9.8891 -9.8802 -9.8802 -7.3425 -7.3425 -7.3375 -7.3375 -5.1233 -5.1233 -0.9752 -0.9752 -0.3051 -0.3051 -0.2339 -0.2339 0.6321 0.6321 0.9353 0.9353 0.9962 0.9962 1.3729 1.3729 2.8563 2.8563 2.9245 2.9245 3.2644 3.2644 3.3828 3.3828 4.1374 4.1374 6.0909 6.0909 6.2455 6.2455 6.5992 6.5992 8.1530 8.1530 k = 0.4345-0.4201 0.5603 ( 2080 PWs) bands (ev): -10.8446 -10.8446 -9.8814 -9.8814 -9.8725 -9.8725 -7.3501 -7.3501 -7.3451 -7.3451 -5.1218 -5.1218 -0.9660 -0.9660 -0.3296 -0.3296 -0.2581 -0.2581 0.6121 0.6121 0.9305 0.9305 0.9903 0.9903 1.3440 1.3440 2.8589 2.8589 2.9248 2.9248 3.2456 3.2456 3.3663 3.3663 4.1834 4.1834 6.0678 6.0678 6.2215 6.2215 6.5689 6.5689 8.1496 8.1496 k = 0.4392-0.4127 0.5797 ( 2086 PWs) bands (ev): -10.8404 -10.8404 -9.8739 -9.8739 -9.8650 -9.8650 -7.3574 -7.3574 -7.3524 -7.3524 -5.1208 -5.1208 -0.9566 -0.9566 -0.3526 -0.3526 -0.2808 -0.2808 0.5920 0.5920 0.9248 0.9248 0.9834 0.9834 1.3175 1.3175 2.8622 2.8622 2.9259 2.9259 3.2278 3.2278 3.3508 3.3508 4.2266 4.2266 6.0443 6.0443 6.1973 6.1973 6.5404 6.5404 8.1438 8.1438 k = 0.4438-0.4053 0.5992 ( 2083 PWs) bands (ev): -10.8364 -10.8364 -9.8667 -9.8667 -9.8577 -9.8577 -7.3644 -7.3644 -7.3594 -7.3594 -5.1201 -5.1201 -0.9470 -0.9470 -0.3741 -0.3741 -0.3019 -0.3019 0.5721 0.5721 0.9183 0.9183 0.9759 0.9759 1.2935 1.2935 2.8661 2.8661 2.9280 2.9280 3.2112 3.2112 3.3363 3.3363 4.2668 4.2668 6.0209 6.0209 6.1732 6.1732 6.5138 6.5138 8.1362 8.1362 k = 0.4485-0.3979 0.6186 ( 2083 PWs) bands (ev): -10.8325 -10.8325 -9.8598 -9.8598 -9.8508 -9.8508 -7.3711 -7.3711 -7.3660 -7.3660 -5.1199 -5.1199 -0.9374 -0.9374 -0.3939 -0.3939 -0.3214 -0.3214 0.5525 0.5525 0.9114 0.9114 0.9679 0.9679 1.2718 1.2718 2.8706 2.8706 2.9308 2.9308 3.1958 3.1958 3.3227 3.3227 4.3041 4.3041 5.9978 5.9978 6.1495 6.1495 6.4893 6.4893 8.1273 8.1273 k = 0.4532-0.3905 0.6380 ( 2077 PWs) bands (ev): -10.8288 -10.8288 -9.8532 -9.8532 -9.8442 -9.8442 -7.3773 -7.3773 -7.3722 -7.3722 -5.1199 -5.1199 -0.9278 -0.9278 -0.4120 -0.4120 -0.3392 -0.3392 0.5335 0.5335 0.9041 0.9041 0.9596 0.9596 1.2524 1.2524 2.8755 2.8755 2.9343 2.9343 3.1816 3.1816 3.3103 3.3103 4.3382 4.3382 5.9755 5.9755 6.1267 6.1267 6.4668 6.4668 8.1175 8.1175 k = 0.4579-0.3831 0.6575 ( 2074 PWs) bands (ev): -10.8254 -10.8254 -9.8471 -9.8471 -9.8380 -9.8380 -7.3830 -7.3830 -7.3780 -7.3780 -5.1201 -5.1201 -0.9185 -0.9185 -0.4285 -0.4285 -0.3553 -0.3553 0.5152 0.5152 0.8967 0.8967 0.9513 0.9513 1.2352 1.2352 2.8806 2.8806 2.9383 2.9383 3.1687 3.1687 3.2988 3.2988 4.3691 4.3691 5.9542 5.9542 6.1050 6.1050 6.4466 6.4466 8.1072 8.1072 k = 0.4626-0.3757 0.6769 ( 2068 PWs) bands (ev): -10.8223 -10.8223 -9.8415 -9.8415 -9.8324 -9.8324 -7.3883 -7.3883 -7.3832 -7.3832 -5.1205 -5.1205 -0.9096 -0.9096 -0.4432 -0.4432 -0.3697 -0.3697 0.4981 0.4981 0.8894 0.8894 0.9432 0.9432 1.2200 1.2200 2.8858 2.8858 2.9426 2.9426 3.1571 3.1571 3.2885 3.2885 4.3968 4.3968 5.9343 5.9343 6.0848 6.0848 6.4285 6.4285 8.0968 8.0968 k = 0.4672-0.3683 0.6964 ( 2068 PWs) bands (ev): -10.8195 -10.8195 -9.8363 -9.8363 -9.8272 -9.8272 -7.3931 -7.3931 -7.3880 -7.3880 -5.1210 -5.1210 -0.9013 -0.9013 -0.4563 -0.4563 -0.3824 -0.3824 0.4822 0.4822 0.8825 0.8825 0.9356 0.9356 1.2068 1.2068 2.8910 2.8910 2.9470 2.9470 3.1466 3.1466 3.2791 3.2791 4.4211 4.4211 5.9160 5.9160 6.0662 6.0662 6.4126 6.4126 8.0866 8.0866 k = 0.4719-0.3609 0.7158 ( 2080 PWs) bands (ev): -10.8170 -10.8170 -9.8318 -9.8318 -9.8227 -9.8227 -7.3973 -7.3973 -7.3922 -7.3922 -5.1215 -5.1215 -0.8937 -0.8937 -0.4676 -0.4676 -0.3934 -0.3934 0.4678 0.4678 0.8760 0.8760 0.9285 0.9285 1.1955 1.1955 2.8960 2.8960 2.9514 2.9514 3.1374 3.1374 3.2708 3.2708 4.4422 4.4422 5.8995 5.8995 6.0495 6.0495 6.3989 6.3989 8.0769 8.0769 k = 0.4766-0.3535 0.7352 ( 2080 PWs) bands (ev): -10.8149 -10.8149 -9.8279 -9.8279 -9.8188 -9.8188 -7.4009 -7.4009 -7.3958 -7.3958 -5.1221 -5.1221 -0.8869 -0.8869 -0.4772 -0.4772 -0.4028 -0.4028 0.4552 0.4552 0.8702 0.8702 0.9222 0.9222 1.1861 1.1861 2.9007 2.9007 2.9556 2.9556 3.1295 3.1295 3.2636 3.2636 4.4600 4.4600 5.8852 5.8852 6.0351 6.0351 6.3874 6.3874 8.0682 8.0682 k = 0.4813-0.3461 0.7547 ( 2098 PWs) bands (ev): -10.8131 -10.8131 -9.8247 -9.8247 -9.8155 -9.8155 -7.4040 -7.4040 -7.3989 -7.3989 -5.1226 -5.1226 -0.8811 -0.8811 -0.4852 -0.4852 -0.4104 -0.4104 0.4445 0.4445 0.8652 0.8652 0.9169 0.9169 1.1784 1.1784 2.9048 2.9048 2.9593 2.9593 3.1229 3.1229 3.2576 3.2576 4.4745 4.4745 5.8732 5.8732 6.0229 6.0229 6.3780 6.3780 8.0604 8.0604 k = 0.4860-0.3387 0.7741 ( 2098 PWs) bands (ev): -10.8117 -10.8117 -9.8221 -9.8221 -9.8130 -9.8130 -7.4063 -7.4063 -7.4012 -7.4012 -5.1230 -5.1230 -0.8765 -0.8765 -0.4913 -0.4913 -0.4164 -0.4164 0.4360 0.4360 0.8612 0.8612 0.9126 0.9126 1.1725 1.1725 2.9082 2.9082 2.9624 2.9624 3.1177 3.1177 3.2529 3.2529 4.4858 4.4858 5.8637 5.8637 6.0134 6.0134 6.3707 6.3707 8.0543 8.0543 k = 0.4906-0.3314 0.7936 ( 2098 PWs) bands (ev): -10.8107 -10.8107 -9.8203 -9.8203 -9.8111 -9.8111 -7.4080 -7.4080 -7.4029 -7.4029 -5.1234 -5.1234 -0.8730 -0.8730 -0.4956 -0.4956 -0.4206 -0.4206 0.4298 0.4298 0.8582 0.8582 0.9095 0.9095 1.1684 1.1684 2.9107 2.9107 2.9648 2.9648 3.1139 3.1139 3.2495 3.2495 4.4939 4.4939 5.8569 5.8569 6.0064 6.0064 6.3656 6.3656 8.0497 8.0497 k = 0.4953-0.3240 0.8130 ( 2098 PWs) bands (ev): -10.8101 -10.8101 -9.8192 -9.8192 -9.8100 -9.8100 -7.4091 -7.4091 -7.4039 -7.4039 -5.1236 -5.1236 -0.8710 -0.8710 -0.4983 -0.4983 -0.4231 -0.4231 0.4261 0.4261 0.8565 0.8565 0.9076 0.9076 1.1659 1.1659 2.9123 2.9123 2.9663 2.9663 3.1117 3.1117 3.2474 3.2474 4.4987 4.4987 5.8527 5.8527 6.0023 6.0023 6.3625 6.3625 8.0470 8.0470 k = 0.5000-0.3166 0.8324 ( 2104 PWs) bands (ev): -10.8099 -10.8099 -9.8188 -9.8188 -9.8096 -9.8096 -7.4094 -7.4094 -7.4043 -7.4043 -5.1236 -5.1236 -0.8703 -0.8703 -0.4991 -0.4991 -0.4240 -0.4240 0.4248 0.4248 0.8558 0.8558 0.9069 0.9069 1.1650 1.1650 2.9129 2.9129 2.9668 2.9668 3.1109 3.1109 3.2467 3.2467 4.5003 4.5003 5.8513 5.8513 6.0008 6.0008 6.3615 6.3615 8.0460 8.0460 k = 0.5000-0.3166 0.8324 ( 2104 PWs) bands (ev): -10.8099 -10.8099 -9.8188 -9.8188 -9.8096 -9.8096 -7.4094 -7.4094 -7.4043 -7.4043 -5.1236 -5.1236 -0.8703 -0.8703 -0.4991 -0.4991 -0.4240 -0.4240 0.4248 0.4248 0.8558 0.8558 0.9069 0.9069 1.1650 1.1650 2.9129 2.9129 2.9668 2.9668 3.1109 3.1109 3.2467 3.2467 4.5003 4.5003 5.8513 5.8513 6.0008 6.0008 6.3615 6.3615 8.0460 8.0460 k = 0.4909-0.2974 0.8324 ( 2100 PWs) bands (ev): -10.8105 -10.8105 -9.8185 -9.8185 -9.8092 -9.8092 -7.4090 -7.4090 -7.4037 -7.4037 -5.1255 -5.1255 -0.8720 -0.8720 -0.4979 -0.4979 -0.4229 -0.4229 0.4156 0.4156 0.8614 0.8614 0.9130 0.9130 1.1643 1.1643 2.9092 2.9092 2.9634 2.9634 3.1144 3.1144 3.2500 3.2500 4.4997 4.4997 5.8524 5.8524 6.0020 6.0020 6.3650 6.3650 8.0458 8.0458 k = 0.4818-0.2782 0.8324 ( 2095 PWs) bands (ev): -10.8122 -10.8122 -9.8180 -9.8180 -9.8078 -9.8078 -7.4081 -7.4081 -7.4013 -7.4013 -5.1312 -5.1312 -0.8769 -0.8769 -0.4949 -0.4949 -0.4195 -0.4195 0.3909 0.3909 0.8721 0.8721 0.9337 0.9337 1.1627 1.1627 2.8985 2.8985 2.9545 2.9545 3.1236 3.1236 3.2598 3.2598 4.4979 4.4979 5.8556 5.8556 6.0055 6.0055 6.3757 6.3757 8.0449 8.0449 k = 0.4728-0.2590 0.8324 ( 2087 PWs) bands (ev): -10.8150 -10.8150 -9.8179 -9.8179 -9.8046 -9.8046 -7.4076 -7.4076 -7.3965 -7.3965 -5.1407 -5.1407 -0.8845 -0.8845 -0.4918 -0.4918 -0.4129 -0.4129 0.3565 0.3565 0.8809 0.8809 0.9682 0.9682 1.1624 1.1624 2.8811 2.8811 2.9432 2.9432 3.1361 3.1361 3.2753 3.2753 4.4950 4.4950 5.8604 5.8604 6.0114 6.0114 6.3936 6.3936 8.0431 8.0431 k = 0.4637-0.2398 0.8324 ( 2083 PWs) bands (ev): -10.8188 -10.8188 -9.8184 -9.8184 -9.7995 -9.7995 -7.4074 -7.4074 -7.3894 -7.3894 -5.1538 -5.1538 -0.8938 -0.8938 -0.4902 -0.4902 -0.4024 -0.4024 0.3176 0.3176 0.8877 0.8877 1.0058 1.0058 1.1688 1.1688 2.8576 2.8576 2.9324 2.9324 3.1498 3.1498 3.2956 3.2956 4.4910 4.4910 5.8663 5.8663 6.0199 6.0199 6.4191 6.4191 8.0397 8.0397 k = 0.4546-0.2206 0.8324 ( 2078 PWs) bands (ev): -10.8236 -10.8236 -9.8196 -9.8196 -9.7928 -9.7928 -7.4072 -7.4072 -7.3801 -7.3801 -5.1704 -5.1704 -0.9042 -0.9042 -0.4909 -0.4909 -0.3886 -0.3886 0.2784 0.2784 0.8933 0.8933 1.0326 1.0326 1.1907 1.1907 2.8294 2.8294 2.9239 2.9239 3.1631 3.1631 3.3194 3.3194 4.4859 4.4859 5.8728 5.8728 6.0311 6.0311 6.4523 6.4523 8.0339 8.0339 k = 0.4455-0.2015 0.8324 ( 2073 PWs) bands (ev): -10.8292 -10.8292 -9.8212 -9.8212 -9.7847 -9.7847 -7.4069 -7.4069 -7.3689 -7.3689 -5.1904 -5.1904 -0.9149 -0.9149 -0.4939 -0.4939 -0.3730 -0.3730 0.2416 0.2416 0.8978 0.8978 1.0422 1.0422 1.2321 1.2321 2.7980 2.7980 2.9188 2.9188 3.1756 3.1756 3.3456 3.3456 4.4799 4.4799 5.8795 5.8795 6.0451 6.0451 6.4930 6.4930 8.0247 8.0247 k = 0.4365-0.1823 0.8324 ( 2073 PWs) bands (ev): -10.8354 -10.8354 -9.8230 -9.8230 -9.7756 -9.7756 -7.4064 -7.4064 -7.3559 -7.3559 -5.2136 -5.2136 -0.9253 -0.9253 -0.4986 -0.4986 -0.3576 -0.3576 0.2092 0.2092 0.9002 0.9002 1.0403 1.0403 1.2858 1.2858 2.7652 2.7652 2.9179 2.9179 3.1870 3.1870 3.3727 3.3727 4.4730 4.4730 5.8863 5.8863 6.0622 6.0622 6.5408 6.5408 8.0107 8.0107 k = 0.4274-0.1631 0.8324 ( 2073 PWs) bands (ev): -10.8423 -10.8423 -9.8251 -9.8251 -9.7656 -9.7656 -7.4056 -7.4056 -7.3413 -7.3413 -5.2398 -5.2398 -0.9349 -0.9349 -0.5043 -0.5043 -0.3442 -0.3442 0.1829 0.1829 0.8993 0.8993 1.0344 1.0344 1.3437 1.3437 2.7326 2.7326 2.9218 2.9218 3.1976 3.1976 3.3997 3.3997 4.4654 4.4654 5.8934 5.8934 6.0823 6.0823 6.5950 6.5950 7.9907 7.9907 k = 0.4183-0.1439 0.8324 ( 2071 PWs) bands (ev): -10.8495 -10.8495 -9.8273 -9.8273 -9.7551 -9.7551 -7.4044 -7.4044 -7.3251 -7.3251 -5.2686 -5.2686 -0.9434 -0.9434 -0.5108 -0.5108 -0.3346 -0.3346 0.1637 0.1637 0.8939 0.8939 1.0290 1.0290 1.4008 1.4008 2.7017 2.7017 2.9313 2.9313 3.2077 3.2077 3.4254 3.4254 4.4570 4.4570 5.9010 5.9010 6.1057 6.1057 6.6547 6.6547 7.9632 7.9632 k = 0.4092-0.1247 0.8324 ( 2073 PWs) bands (ev): -10.8570 -10.8570 -9.8296 -9.8296 -9.7444 -9.7444 -7.4027 -7.4027 -7.3076 -7.3076 -5.2999 -5.2999 -0.9506 -0.9506 -0.5175 -0.5175 -0.3298 -0.3298 0.1523 0.1523 0.8835 0.8835 1.0260 1.0260 1.4543 1.4543 2.6738 2.6738 2.9470 2.9470 3.2178 3.2178 3.4491 3.4491 4.4479 4.4479 5.9094 5.9094 6.1321 6.1321 6.7190 6.7190 7.9268 7.9268 k = 0.4001-0.1055 0.8324 ( 2065 PWs) bands (ev): -10.8647 -10.8647 -9.8319 -9.8319 -9.7336 -9.7336 -7.4004 -7.4004 -7.2889 -7.2889 -5.3334 -5.3334 -0.9562 -0.9562 -0.5243 -0.5243 -0.3301 -0.3301 0.1486 0.1486 0.8683 0.8683 1.0259 1.0259 1.5018 1.5018 2.6501 2.6501 2.9695 2.9695 3.2282 3.2282 3.4700 3.4700 4.4381 4.4381 5.9189 5.9189 6.1615 6.1615 6.7866 6.7866 7.8807 7.8807 k = 0.3911-0.0863 0.8324 ( 2065 PWs) bands (ev): -10.8724 -10.8724 -9.8341 -9.8341 -9.7231 -9.7231 -7.3973 -7.3973 -7.2693 -7.2693 -5.3687 -5.3687 -0.9603 -0.9603 -0.5309 -0.5309 -0.3352 -0.3352 0.1516 0.1516 0.8493 0.8493 1.0279 1.0279 1.5421 1.5421 2.6313 2.6313 2.9991 2.9991 3.2397 3.2397 3.4877 3.4877 4.4275 4.4275 5.9292 5.9292 6.1939 6.1939 6.8565 6.8565 7.8247 7.8247 k = 0.3820-0.0672 0.8324 ( 2069 PWs) bands (ev): -10.8800 -10.8800 -9.8362 -9.8362 -9.7130 -9.7130 -7.3934 -7.3934 -7.2489 -7.2489 -5.4056 -5.4056 -0.9626 -0.9626 -0.5373 -0.5373 -0.3442 -0.3442 0.1598 0.1598 0.8273 0.8273 1.0316 1.0316 1.5743 1.5743 2.6179 2.6179 3.0354 3.0354 3.2532 3.2532 3.5022 3.5022 4.4159 4.4159 5.9403 5.9403 6.2289 6.2289 6.9272 6.9272 7.7596 7.7596 k = 0.3729-0.0480 0.8324 ( 2065 PWs) bands (ev): -10.8874 -10.8874 -9.8381 -9.8381 -9.7037 -9.7037 -7.3885 -7.3885 -7.2280 -7.2280 -5.4437 -5.4437 -0.9631 -0.9631 -0.5432 -0.5432 -0.3558 -0.3558 0.1715 0.1715 0.8030 0.8030 1.0364 1.0364 1.5983 1.5983 2.6101 2.6101 3.0772 3.0772 3.2699 3.2699 3.5134 3.5134 4.4034 4.4034 5.9518 5.9518 6.2661 6.2661 6.9979 6.9979 7.6878 7.6878 k = 0.3638-0.0288 0.8324 ( 2065 PWs) bands (ev): -10.8945 -10.8945 -9.8398 -9.8398 -9.6953 -9.6953 -7.3826 -7.3826 -7.2069 -7.2069 -5.4826 -5.4826 -0.9616 -0.9616 -0.5488 -0.5488 -0.3689 -0.3689 0.1851 0.1851 0.7767 0.7767 1.0424 1.0424 1.6146 1.6146 2.6079 2.6079 3.1219 3.1219 3.2923 3.2923 3.5215 3.5215 4.3898 4.3898 5.9629 5.9629 6.3050 6.3050 7.0669 7.0669 7.6123 7.6123 k = 0.3548-0.0096 0.8324 ( 2067 PWs) bands (ev): -10.9012 -10.9012 -9.8412 -9.8412 -9.6880 -9.6880 -7.3755 -7.3755 -7.1858 -7.1858 -5.5219 -5.5219 -0.9581 -0.9581 -0.5540 -0.5540 -0.3825 -0.3825 0.1992 0.1992 0.7485 0.7485 1.0495 1.0495 1.6240 1.6240 2.6109 2.6109 3.1651 3.1651 3.3236 3.3236 3.5271 3.5271 4.3750 4.3750 5.9728 5.9728 6.3446 6.3446 7.1326 7.1326 7.5366 7.5366 k = 0.3457 0.0096 0.8324 ( 2071 PWs) bands (ev): -10.9074 -10.9074 -9.8422 -9.8422 -9.6820 -9.6820 -7.3672 -7.3672 -7.1650 -7.1650 -5.5614 -5.5614 -0.9525 -0.9525 -0.5590 -0.5590 -0.3958 -0.3958 0.2125 0.2125 0.7190 0.7190 1.0579 1.0579 1.6275 1.6275 2.6189 2.6189 3.2024 3.2024 3.3667 3.3667 3.5308 3.5308 4.3588 4.3588 5.9805 5.9805 6.3836 6.3836 7.1924 7.1924 7.4656 7.4656 k = 0.3366 0.0288 0.8324 ( 2069 PWs) bands (ev): -10.9132 -10.9132 -9.8428 -9.8428 -9.6775 -9.6775 -7.3576 -7.3576 -7.1447 -7.1447 -5.6006 -5.6006 -0.9446 -0.9446 -0.5638 -0.5638 -0.4084 -0.4084 0.2237 0.2237 0.6889 0.6889 1.0674 1.0674 1.6263 1.6263 2.6315 2.6315 3.2326 3.2326 3.4200 3.4200 3.5342 3.5342 4.3412 4.3412 5.9853 5.9853 6.4205 6.4205 7.2401 7.2401 7.4073 7.4073 k = 0.3275 0.0480 0.8324 ( 2069 PWs) bands (ev): -10.9184 -10.9184 -9.8429 -9.8429 -9.6745 -9.6745 -7.3467 -7.3467 -7.1254 -7.1254 -5.6391 -5.6391 -0.9343 -0.9343 -0.5686 -0.5686 -0.4196 -0.4196 0.2313 0.2313 0.6597 0.6597 1.0778 1.0778 1.6214 1.6214 2.6485 2.6485 3.2579 3.2579 3.4744 3.4744 3.5427 3.5427 4.3222 4.3222 5.9861 5.9861 6.4537 6.4537 7.2569 7.2569 7.3816 7.3816 k = 0.3184 0.0672 0.8324 ( 2069 PWs) bands (ev): -10.9230 -10.9230 -9.8425 -9.8425 -9.6731 -9.6731 -7.3345 -7.3345 -7.1073 -7.1073 -5.6765 -5.6765 -0.9216 -0.9216 -0.5736 -0.5736 -0.4292 -0.4292 0.2337 0.2337 0.6333 0.6333 1.0885 1.0885 1.6140 1.6140 2.6695 2.6695 3.2806 3.2806 3.5051 3.5051 3.5770 3.5770 4.3017 4.3017 5.9824 5.9824 6.4819 6.4819 7.2328 7.2328 7.3981 7.3981 k = 0.3094 0.0863 0.8324 ( 2071 PWs) bands (ev): -10.9270 -10.9270 -9.8416 -9.8416 -9.6735 -9.6735 -7.3210 -7.3210 -7.0907 -7.0907 -5.7124 -5.7124 -0.9063 -0.9063 -0.5789 -0.5789 -0.4371 -0.4371 0.2288 0.2288 0.6124 0.6124 1.0985 1.0985 1.6051 1.6051 2.6942 2.6942 3.3024 3.3024 3.5107 3.5107 3.6351 3.6351 4.2798 4.2798 5.9740 5.9740 6.5042 6.5042 7.1965 7.1965 7.4264 7.4264 k = 0.3003 0.1055 0.8324 ( 2069 PWs) bands (ev): -10.9304 -10.9304 -9.8402 -9.8402 -9.6755 -9.6755 -7.3062 -7.3062 -7.0760 -7.0760 -5.7464 -5.7464 -0.8884 -0.8884 -0.5845 -0.5845 -0.4429 -0.4429 0.2149 0.2149 0.5994 0.5994 1.1069 1.1069 1.5957 1.5957 2.7224 2.7224 3.3238 3.3238 3.5102 3.5102 3.6951 3.6951 4.2565 4.2565 5.9615 5.9615 6.5211 6.5211 7.1605 7.1605 7.4510 7.4510 k = 0.2912 0.1247 0.8324 ( 2073 PWs) bands (ev): -10.9331 -10.9331 -9.8381 -9.8381 -9.6792 -9.6792 -7.2903 -7.2903 -7.0636 -7.0636 -5.7782 -5.7782 -0.8680 -0.8680 -0.5903 -0.5903 -0.4467 -0.4467 0.1914 0.1914 0.5958 0.5958 1.1125 1.1125 1.5869 1.5869 2.7535 2.7535 3.3446 3.3446 3.5087 3.5087 3.7499 3.7499 4.2319 4.2319 5.9464 5.9464 6.5338 6.5338 7.1247 7.1247 7.4706 7.4706 k = 0.2821 0.1439 0.8324 ( 2071 PWs) bands (ev): -10.9352 -10.9352 -9.8355 -9.8355 -9.6845 -9.6845 -7.2733 -7.2733 -7.0536 -7.0536 -5.8072 -5.8072 -0.8451 -0.8451 -0.5961 -0.5961 -0.4485 -0.4485 0.1590 0.1590 0.6016 0.6016 1.1140 1.1140 1.5798 1.5798 2.7873 2.7873 3.3640 3.3640 3.5083 3.5083 3.7958 3.7958 4.2064 4.2064 5.9307 5.9307 6.5440 6.5440 7.0871 7.0871 7.4895 7.4895 k = 0.2731 0.1631 0.8324 ( 2063 PWs) bands (ev): -10.9368 -10.9368 -9.8322 -9.8322 -9.6914 -9.6914 -7.2553 -7.2553 -7.0465 -7.0465 -5.8333 -5.8333 -0.8199 -0.8199 -0.6016 -0.6016 -0.4485 -0.4485 0.1197 0.1197 0.6155 0.6155 1.1104 1.1104 1.5751 1.5751 2.8234 2.8234 3.3798 3.3798 3.5113 3.5113 3.8306 3.8306 4.1802 4.1802 5.9168 5.9168 6.5536 6.5536 7.0468 7.0468 7.5116 7.5116 k = 0.2640 0.1823 0.8324 ( 2060 PWs) bands (ev): -10.9377 -10.9377 -9.8283 -9.8283 -9.6997 -9.6997 -7.2366 -7.2366 -7.0423 -7.0423 -5.8561 -5.8561 -0.7932 -0.7932 -0.6060 -0.6060 -0.4470 -0.4470 0.0759 0.0759 0.6360 0.6360 1.1013 1.1013 1.5735 1.5735 2.8610 2.8610 3.3892 3.3892 3.5200 3.5200 3.8527 3.8527 4.1539 4.1539 5.9067 5.9067 6.5638 6.5638 7.0045 7.0045 7.5377 7.5377 k = 0.2549 0.2015 0.8324 ( 2056 PWs) bands (ev): -10.9382 -10.9382 -9.8238 -9.8238 -9.7093 -9.7093 -7.2172 -7.2172 -7.0413 -7.0413 -5.8754 -5.8754 -0.7660 -0.7660 -0.6083 -0.6083 -0.4443 -0.4443 0.0298 0.0298 0.6615 0.6615 1.0863 1.0863 1.5750 1.5750 2.8997 2.8997 3.3900 3.3900 3.5358 3.5358 3.8618 3.8618 4.1280 4.1280 5.9017 5.9017 6.5760 6.5760 6.9619 6.9619 7.5667 7.5667 k = 0.2458 0.2206 0.8324 ( 2056 PWs) bands (ev): -10.9381 -10.9381 -9.8187 -9.8187 -9.7201 -9.7201 -7.1974 -7.1974 -7.0435 -7.0435 -5.8911 -5.8911 -0.7404 -0.7404 -0.6065 -0.6065 -0.4411 -0.4411 -0.0162 -0.0162 0.6908 0.6908 1.0657 1.0657 1.5792 1.5792 2.9386 2.9386 3.3822 3.3822 3.5580 3.5580 3.8589 3.8589 4.1027 4.1027 5.9020 5.9020 6.5909 6.5909 6.9205 6.9205 7.5963 7.5963 k = 0.2367 0.2398 0.8324 ( 2055 PWs) bands (ev): -10.9377 -10.9377 -9.8129 -9.8129 -9.7317 -9.7317 -7.1773 -7.1773 -7.0490 -7.0490 -5.9032 -5.9032 -0.7196 -0.7196 -0.5973 -0.5973 -0.4386 -0.4386 -0.0596 -0.0596 0.7227 0.7227 1.0405 1.0405 1.5855 1.5855 2.9766 2.9766 3.3673 3.3673 3.5842 3.5842 3.8462 3.8462 4.0785 4.0785 5.9068 5.9068 6.6096 6.6096 6.8817 6.8817 7.6243 7.6243 k = 0.2277 0.2590 0.8324 ( 2057 PWs) bands (ev): -10.9370 -10.9370 -9.8067 -9.8067 -9.7440 -9.7440 -7.1572 -7.1572 -7.0574 -7.0574 -5.9117 -5.9117 -0.7068 -0.7068 -0.5782 -0.5782 -0.4385 -0.4385 -0.0974 -0.0974 0.7559 0.7559 1.0118 1.0118 1.5930 1.5930 3.0122 3.0122 3.3470 3.3470 3.6120 3.6120 3.8264 3.8264 4.0562 4.0562 5.9143 5.9143 6.6325 6.6325 6.8464 6.8464 7.6488 7.6488 k = 0.2186 0.2782 0.8324 ( 2057 PWs) bands (ev): -10.9360 -10.9360 -9.7999 -9.7999 -9.7568 -9.7568 -7.1373 -7.1373 -7.0687 -7.0687 -5.9169 -5.9169 -0.7015 -0.7015 -0.5498 -0.5498 -0.4435 -0.4435 -0.1258 -0.1258 0.7885 0.7885 0.9816 0.9816 1.6007 1.6007 3.0429 3.0429 3.3241 3.3241 3.6388 3.6388 3.8025 3.8025 4.0369 4.0369 5.9227 5.9227 6.6597 6.6597 6.8159 6.8159 7.6689 7.6689 k = 0.2095 0.2974 0.8324 ( 2055 PWs) bands (ev): -10.9350 -10.9350 -9.7929 -9.7929 -9.7696 -9.7696 -7.1178 -7.1178 -7.0826 -7.0826 -5.9189 -5.9189 -0.7011 -0.7011 -0.5157 -0.5157 -0.4563 -0.4563 -0.1409 -0.1409 0.8164 0.8164 0.9543 0.9543 1.6076 1.6076 3.0643 3.0643 3.3037 3.3037 3.6605 3.6605 3.7787 3.7787 4.0226 4.0226 5.9304 5.9304 6.6885 6.6885 6.7927 6.7927 7.6838 7.6838 k = 0.2004 0.3166 0.8324 ( 2053 PWs) bands (ev): -10.9339 -10.9339 -9.7883 -9.7883 -9.7794 -9.7794 -7.1000 -7.1000 -7.0975 -7.0975 -5.9181 -5.9181 -0.7031 -0.7031 -0.4812 -0.4812 -0.4760 -0.4760 -0.1402 -0.1402 0.8287 0.8287 0.9408 0.9408 1.6125 1.6125 3.0705 3.0705 3.2929 3.2929 3.6674 3.6674 3.7640 3.7640 4.0149 4.0149 5.9362 5.9362 6.7086 6.7086 6.7866 6.7866 7.6914 7.6914 k = 0.2004 0.3166 0.8324 ( 2053 PWs) bands (ev): -10.9339 -10.9339 -9.7883 -9.7883 -9.7794 -9.7794 -7.1000 -7.1000 -7.0975 -7.0975 -5.9181 -5.9181 -0.7031 -0.7031 -0.4812 -0.4812 -0.4760 -0.4760 -0.1402 -0.1402 0.8287 0.8287 0.9408 0.9408 1.6125 1.6125 3.0705 3.0705 3.2929 3.2929 3.6674 3.6674 3.7640 3.7640 4.0149 4.0149 5.9362 5.9362 6.7086 6.7086 6.7866 6.7866 7.6914 7.6914 k = 0.1958 0.3092 0.8131 ( 2047 PWs) bands (ev): -10.9390 -10.9390 -9.7771 -9.7771 -9.7681 -9.7681 -7.1037 -7.1037 -7.1011 -7.1011 -5.9270 -5.9270 -0.6911 -0.6911 -0.5053 -0.5053 -0.4996 -0.4996 -0.1792 -0.1792 0.8332 0.8332 0.9470 0.9470 1.5967 1.5967 3.0854 3.0854 3.3099 3.3099 3.6915 3.6915 3.7898 3.7898 4.0329 4.0329 5.9160 5.9160 6.6681 6.6681 6.7471 6.7471 7.6897 7.6897 k = 0.1911 0.3018 0.7937 ( 2047 PWs) bands (ev): -10.9447 -10.9447 -9.7660 -9.7660 -9.7569 -9.7569 -7.1078 -7.1078 -7.1052 -7.1052 -5.9346 -5.9346 -0.6806 -0.6806 -0.5272 -0.5272 -0.5211 -0.5211 -0.2169 -0.2169 0.8390 0.8390 0.9546 0.9546 1.5818 1.5818 3.1008 3.1008 3.3272 3.3272 3.7159 3.7159 3.8160 3.8160 4.0506 4.0506 5.8975 5.8975 6.6284 6.6284 6.7084 6.7084 7.6884 7.6884 k = 0.1864 0.2945 0.7744 ( 2056 PWs) bands (ev): -10.9510 -10.9510 -9.7551 -9.7551 -9.7460 -9.7460 -7.1123 -7.1123 -7.1098 -7.1098 -5.9407 -5.9407 -0.6717 -0.6717 -0.5469 -0.5469 -0.5404 -0.5404 -0.2529 -0.2529 0.8465 0.8465 0.9636 0.9636 1.5680 1.5680 3.1166 3.1166 3.3445 3.3445 3.7404 3.7404 3.8423 3.8423 4.0680 4.0680 5.8808 5.8808 6.5895 6.5895 6.6707 6.6707 7.6880 7.6880 k = 0.1818 0.2871 0.7550 ( 2065 PWs) bands (ev): -10.9579 -10.9579 -9.7443 -9.7443 -9.7352 -9.7352 -7.1173 -7.1173 -7.1148 -7.1148 -5.9454 -5.9454 -0.6650 -0.6650 -0.5641 -0.5641 -0.5574 -0.5574 -0.2868 -0.2868 0.8557 0.8557 0.9742 0.9742 1.5554 1.5554 3.1327 3.1327 3.3617 3.3617 3.7649 3.7649 3.8686 3.8686 4.0849 4.0849 5.8659 5.8659 6.5516 6.5516 6.6341 6.6341 7.6892 7.6892 k = 0.1771 0.2798 0.7356 ( 2062 PWs) bands (ev): -10.9655 -10.9655 -9.7339 -9.7339 -9.7246 -9.7246 -7.1227 -7.1227 -7.1201 -7.1201 -5.9486 -5.9486 -0.6609 -0.6609 -0.5788 -0.5788 -0.5720 -0.5720 -0.3181 -0.3181 0.8668 0.8668 0.9865 0.9865 1.5442 1.5442 3.1489 3.1489 3.3787 3.3787 3.7895 3.7895 3.8949 3.8949 4.1015 4.1015 5.8532 5.8532 6.5150 6.5150 6.5987 6.5987 7.6920 7.6920 k = 0.1725 0.2724 0.7163 ( 2062 PWs) bands (ev): -10.9735 -10.9735 -9.7237 -9.7237 -9.7143 -9.7143 -7.1285 -7.1285 -7.1259 -7.1259 -5.9504 -5.9504 -0.6600 -0.6600 -0.5907 -0.5907 -0.5842 -0.5842 -0.3465 -0.3465 0.8797 0.8797 1.0006 1.0006 1.5344 1.5344 3.1650 3.1650 3.3953 3.3953 3.8138 3.8138 3.9210 3.9210 4.1175 4.1175 5.8425 5.8425 6.4797 6.4797 6.5648 6.5648 7.6965 7.6965 k = 0.1678 0.2650 0.6969 ( 2050 PWs) bands (ev): -10.9821 -10.9821 -9.7137 -9.7137 -9.7043 -9.7043 -7.1346 -7.1346 -7.1320 -7.1320 -5.9507 -5.9507 -0.6627 -0.6627 -0.6000 -0.6000 -0.5938 -0.5938 -0.3713 -0.3713 0.8945 0.8945 1.0164 1.0164 1.5262 1.5262 3.1807 3.1807 3.4113 3.4113 3.8379 3.8379 3.9469 3.9469 4.1328 4.1328 5.8344 5.8344 6.4459 6.4459 6.5323 6.5323 7.7027 7.7027 k = 0.1631 0.2577 0.6776 ( 2056 PWs) bands (ev): -10.9913 -10.9913 -9.7042 -9.7042 -9.6947 -9.6947 -7.1411 -7.1411 -7.1384 -7.1384 -5.9498 -5.9498 -0.6692 -0.6692 -0.6069 -0.6069 -0.6010 -0.6010 -0.3923 -0.3923 0.9112 0.9112 1.0340 1.0340 1.5197 1.5197 3.1960 3.1960 3.4265 3.4265 3.8615 3.8615 3.9722 3.9722 4.1470 4.1470 5.8287 5.8287 6.4136 6.4136 6.5014 6.5014 7.7098 7.7098 k = 0.1585 0.2503 0.6582 ( 2056 PWs) bands (ev): -11.0010 -11.0010 -9.6950 -9.6950 -9.6854 -9.6854 -7.1479 -7.1479 -7.1452 -7.1452 -5.9475 -5.9475 -0.6794 -0.6794 -0.6116 -0.6116 -0.6056 -0.6056 -0.4092 -0.4092 0.9297 0.9297 1.0535 1.0535 1.5151 1.5151 3.2108 3.2108 3.4409 3.4409 3.8846 3.8846 3.9969 3.9969 4.1600 4.1600 5.8258 5.8258 6.3831 6.3831 6.4721 6.4721 7.7181 7.7181 k = 0.1538 0.2429 0.6388 ( 2059 PWs) bands (ev): -11.0111 -11.0111 -9.6861 -9.6861 -9.6765 -9.6765 -7.1550 -7.1550 -7.1523 -7.1523 -5.9439 -5.9439 -0.6930 -0.6930 -0.6141 -0.6141 -0.6076 -0.6076 -0.4222 -0.4222 0.9502 0.9502 1.0747 1.0747 1.5124 1.5124 3.2248 3.2248 3.4542 3.4542 3.9070 3.9070 4.0209 4.0209 4.1716 4.1716 5.8260 5.8260 6.3545 6.3545 6.4446 6.4446 7.7268 7.7268 k = 0.1492 0.2356 0.6195 ( 2059 PWs) bands (ev): -11.0217 -11.0217 -9.6777 -9.6777 -9.6680 -9.6680 -7.1623 -7.1623 -7.1596 -7.1596 -5.9391 -5.9391 -0.7096 -0.7096 -0.6143 -0.6143 -0.6069 -0.6069 -0.4318 -0.4318 0.9725 0.9725 1.0977 1.0977 1.5118 1.5118 3.2379 3.2379 3.4664 3.4664 3.9287 3.9287 4.0441 4.0441 4.1814 4.1814 5.8295 5.8295 6.3277 6.3277 6.4189 6.4189 7.7355 7.7355 k = 0.1445 0.2282 0.6001 ( 2059 PWs) bands (ev): -11.0327 -11.0327 -9.6697 -9.6697 -9.6599 -9.6599 -7.1699 -7.1699 -7.1671 -7.1671 -5.9332 -5.9332 -0.7285 -0.7285 -0.6120 -0.6120 -0.6037 -0.6037 -0.4389 -0.4389 0.9965 0.9965 1.1223 1.1223 1.5134 1.5134 3.2502 3.2502 3.4774 3.4774 3.9495 3.9495 4.0663 4.0663 4.1891 4.1891 5.8365 5.8365 6.3029 6.3029 6.3950 6.3950 7.7434 7.7434 k = 0.1398 0.2209 0.5808 ( 2053 PWs) bands (ev): -11.0440 -11.0440 -9.6621 -9.6621 -9.6522 -9.6522 -7.1776 -7.1776 -7.1748 -7.1748 -5.9262 -5.9262 -0.7492 -0.7492 -0.6072 -0.6072 -0.5978 -0.5978 -0.4439 -0.4439 1.0223 1.0223 1.1487 1.1487 1.5173 1.5173 3.2613 3.2613 3.4870 3.4870 3.9692 3.9692 4.0875 4.0875 4.1946 4.1946 5.8472 5.8472 6.2802 6.2802 6.3730 6.3730 7.7492 7.7492 k = 0.1352 0.2135 0.5614 ( 2059 PWs) bands (ev): -11.0557 -11.0557 -9.6549 -9.6549 -9.6449 -9.6449 -7.1855 -7.1855 -7.1827 -7.1827 -5.9183 -5.9183 -0.7710 -0.7710 -0.5998 -0.5998 -0.5893 -0.5893 -0.4477 -0.4477 1.0495 1.0495 1.1765 1.1765 1.5234 1.5234 3.2714 3.2714 3.4951 3.4951 3.9877 3.9877 4.1073 4.1073 4.1975 4.1975 5.8615 5.8615 6.2594 6.2594 6.3528 6.3528 7.7477 7.7477 k = 0.1305 0.2061 0.5420 ( 2053 PWs) bands (ev): -11.0676 -11.0676 -9.6482 -9.6482 -9.6381 -9.6381 -7.1936 -7.1936 -7.1907 -7.1907 -5.9095 -5.9095 -0.7934 -0.7934 -0.5899 -0.5899 -0.5783 -0.5783 -0.4506 -0.4506 1.0783 1.0783 1.2057 1.2057 1.5320 1.5320 3.2804 3.2804 3.5020 3.5020 4.0047 4.0047 4.1258 4.1258 4.1978 4.1978 5.8800 5.8800 6.2407 6.2407 6.3345 6.3345 7.7386 7.7386 k = 0.1259 0.1988 0.5227 ( 2054 PWs) bands (ev): -11.0797 -11.0797 -9.6419 -9.6419 -9.6317 -9.6317 -7.2017 -7.2017 -7.1988 -7.1988 -5.8999 -5.8999 -0.8159 -0.8159 -0.5775 -0.5775 -0.5647 -0.5647 -0.4531 -0.4531 1.1084 1.1084 1.2362 1.2362 1.5429 1.5429 3.2881 3.2881 3.5075 3.5075 4.0202 4.0202 4.1428 4.1428 4.1953 4.1953 5.9023 5.9023 6.2241 6.2241 6.3181 6.3181 7.7284 7.7284 k = 0.1212 0.1914 0.5033 ( 2054 PWs) bands (ev): -11.0920 -11.0920 -9.6360 -9.6360 -9.6258 -9.6258 -7.2099 -7.2099 -7.2070 -7.2070 -5.8896 -5.8896 -0.8383 -0.8383 -0.5628 -0.5628 -0.5488 -0.5488 -0.4552 -0.4552 1.1397 1.1397 1.2678 1.2678 1.5562 1.5562 3.2948 3.2948 3.5116 3.5116 4.0337 4.0337 4.1582 4.1582 4.1900 4.1900 5.9285 5.9285 6.2095 6.2095 6.3035 6.3035 7.7172 7.7172 k = 0.1165 0.1841 0.4840 ( 2054 PWs) bands (ev): -11.1044 -11.1044 -9.6306 -9.6306 -9.6203 -9.6203 -7.2181 -7.2181 -7.2151 -7.2151 -5.8786 -5.8786 -0.8602 -0.8602 -0.5457 -0.5457 -0.5304 -0.5304 -0.4571 -0.4571 1.1719 1.1719 1.3004 1.3004 1.5718 1.5718 3.3004 3.3004 3.5144 3.5144 4.0449 4.0449 4.1718 4.1718 4.1820 4.1820 5.9586 5.9586 6.1967 6.1967 6.2906 6.2906 7.7050 7.7050 k = 0.1119 0.1767 0.4646 ( 2060 PWs) bands (ev): -11.1168 -11.1168 -9.6257 -9.6257 -9.6153 -9.6153 -7.2264 -7.2264 -7.2233 -7.2233 -5.8672 -5.8672 -0.8816 -0.8816 -0.5267 -0.5267 -0.5098 -0.5098 -0.4589 -0.4589 1.2049 1.2049 1.3337 1.3337 1.5899 1.5899 3.3051 3.3051 3.5160 3.5160 4.0530 4.0530 4.1719 4.1719 4.1835 4.1835 5.9924 5.9924 6.1859 6.1859 6.2795 6.2795 7.6919 7.6919 k = 0.1072 0.1693 0.4453 ( 2072 PWs) bands (ev): -11.1293 -11.1293 -9.6211 -9.6211 -9.6106 -9.6106 -7.2346 -7.2346 -7.2315 -7.2315 -5.8554 -5.8554 -0.9023 -0.9023 -0.5061 -0.5061 -0.4871 -0.4871 -0.4601 -0.4601 1.2385 1.2385 1.3675 1.3675 1.6102 1.6102 3.3088 3.3088 3.5166 3.5166 4.0571 4.0571 4.1604 4.1604 4.1932 4.1932 6.0296 6.0296 6.1768 6.1768 6.2700 6.2700 7.6770 7.6770 k = 0.1025 0.1620 0.4259 ( 2096 PWs) bands (ev): -11.1417 -11.1417 -9.6170 -9.6170 -9.6064 -9.6064 -7.2427 -7.2427 -7.2396 -7.2396 -5.8433 -5.8433 -0.9223 -0.9223 -0.4857 -0.4857 -0.4623 -0.4623 -0.4591 -0.4591 1.2725 1.2725 1.4017 1.4017 1.6328 1.6328 3.3117 3.3117 3.5163 3.5163 4.0556 4.0556 4.1490 4.1490 4.2008 4.2008 6.0700 6.0700 6.1694 6.1694 6.2621 6.2621 7.6557 7.6557 k = 0.0979 0.1546 0.4065 ( 2108 PWs) bands (ev): -11.1539 -11.1539 -9.6132 -9.6132 -9.6026 -9.6026 -7.2507 -7.2507 -7.2475 -7.2475 -5.8310 -5.8310 -0.9414 -0.9414 -0.4739 -0.4739 -0.4477 -0.4477 -0.4355 -0.4355 1.3066 1.3066 1.4361 1.4361 1.6576 1.6576 3.3141 3.3141 3.5154 3.5154 4.0468 4.0468 4.1395 4.1395 4.2062 4.2062 6.1131 6.1131 6.1635 6.1635 6.2561 6.2561 7.6331 7.6331 k = 0.0932 0.1472 0.3872 ( 2108 PWs) bands (ev): -11.1660 -11.1660 -9.6099 -9.6099 -9.5992 -9.5992 -7.2586 -7.2586 -7.2554 -7.2554 -5.8186 -5.8186 -0.9596 -0.9596 -0.4724 -0.4724 -0.4241 -0.4241 -0.4071 -0.4071 1.3405 1.3405 1.4704 1.4704 1.6846 1.6846 3.3163 3.3163 3.5142 3.5142 4.0298 4.0298 4.1325 4.1325 4.2092 4.2092 6.1580 6.1580 6.1593 6.1593 6.2526 6.2526 7.6097 7.6097 k = 0.0886 0.1399 0.3678 ( 2087 PWs) bands (ev): -11.1779 -11.1779 -9.6068 -9.6068 -9.5960 -9.5960 -7.2663 -7.2663 -7.2630 -7.2630 -5.8062 -5.8062 -0.9769 -0.9769 -0.4731 -0.4731 -0.3965 -0.3965 -0.3770 -0.3770 1.3741 1.3741 1.5044 1.5044 1.7135 1.7135 3.3184 3.3184 3.5129 3.5129 4.0055 4.0055 4.1274 4.1274 4.2099 4.2099 6.1565 6.1565 6.2012 6.2012 6.2546 6.2546 7.5855 7.5855 k = 0.0839 0.1325 0.3485 ( 2081 PWs) bands (ev): -11.1895 -11.1895 -9.6041 -9.6041 -9.5933 -9.5933 -7.2738 -7.2738 -7.2705 -7.2705 -5.7939 -5.7939 -0.9933 -0.9933 -0.4745 -0.4745 -0.3669 -0.3669 -0.3456 -0.3456 1.4069 1.4069 1.5379 1.5379 1.7444 1.7444 3.3205 3.3205 3.5117 3.5117 3.9755 3.9755 4.1223 4.1223 4.2080 4.2080 6.1550 6.1550 6.2268 6.2268 6.2775 6.2775 7.5605 7.5605 k = 0.0792 0.1252 0.3291 ( 2087 PWs) bands (ev): -11.2008 -11.2008 -9.6018 -9.6018 -9.5909 -9.5909 -7.2811 -7.2811 -7.2777 -7.2777 -5.7817 -5.7817 -1.0089 -1.0089 -0.4759 -0.4759 -0.3362 -0.3362 -0.3131 -0.3131 1.4388 1.4388 1.5706 1.5706 1.7768 1.7768 3.3230 3.3230 3.5110 3.5110 3.9409 3.9409 4.1165 4.1165 4.2035 4.2035 6.1546 6.1546 6.2322 6.2322 6.3235 6.3235 7.5350 7.5350 k = 0.0746 0.1178 0.3097 ( 2087 PWs) bands (ev): -11.2117 -11.2117 -9.5997 -9.5997 -9.5887 -9.5887 -7.2881 -7.2881 -7.2847 -7.2847 -5.7698 -5.7698 -1.0235 -1.0235 -0.4771 -0.4771 -0.3044 -0.3044 -0.2797 -0.2797 1.4693 1.4693 1.6023 1.6023 1.8109 1.8109 3.3261 3.3261 3.5110 3.5110 3.9026 3.9026 4.1090 4.1090 4.1963 4.1963 6.1552 6.1552 6.2334 6.2334 6.3760 6.3760 7.5091 7.5091 k = 0.0699 0.1104 0.2904 ( 2087 PWs) bands (ev): -11.2222 -11.2222 -9.5979 -9.5979 -9.5869 -9.5869 -7.2948 -7.2948 -7.2914 -7.2914 -5.7583 -5.7583 -1.0373 -1.0373 -0.4783 -0.4783 -0.2720 -0.2720 -0.2456 -0.2456 1.4984 1.4984 1.6327 1.6327 1.8464 1.8464 3.3299 3.3299 3.5122 3.5122 3.8614 3.8614 4.0996 4.0996 4.1865 4.1865 6.1568 6.1568 6.2344 6.2344 6.4308 6.4308 7.4831 7.4831 k = 0.0653 0.1031 0.2710 ( 2087 PWs) bands (ev): -11.2322 -11.2322 -9.5964 -9.5964 -9.5853 -9.5853 -7.3013 -7.3013 -7.2978 -7.2978 -5.7472 -5.7472 -1.0501 -1.0501 -0.4791 -0.4791 -0.2393 -0.2393 -0.2112 -0.2112 1.5257 1.5257 1.6615 1.6615 1.8833 1.8833 3.3347 3.3347 3.5148 3.5148 3.8179 3.8179 4.0880 4.0880 4.1740 4.1740 6.1592 6.1592 6.2359 6.2359 6.4868 6.4868 7.4571 7.4571 k = 0.0606 0.0957 0.2517 ( 2093 PWs) bands (ev): -11.2418 -11.2418 -9.5951 -9.5951 -9.5839 -9.5839 -7.3074 -7.3074 -7.3039 -7.3039 -5.7365 -5.7365 -1.0621 -1.0621 -0.4797 -0.4797 -0.2066 -0.2066 -0.1767 -0.1767 1.5509 1.5509 1.6885 1.6885 1.9214 1.9214 3.3403 3.3403 3.5191 3.5191 3.7727 3.7727 4.0740 4.0740 4.1589 4.1589 6.1623 6.1623 6.2380 6.2380 6.5433 6.5433 7.4314 7.4314 k = 0.0559 0.0883 0.2323 ( 2093 PWs) bands (ev): -11.2507 -11.2507 -9.5939 -9.5939 -9.5828 -9.5828 -7.3131 -7.3131 -7.3096 -7.3096 -5.7264 -5.7264 -1.0732 -1.0732 -0.4800 -0.4800 -0.1742 -0.1742 -0.1425 -0.1425 1.5740 1.5740 1.7134 1.7134 1.9607 1.9607 3.3467 3.3467 3.5254 3.5254 3.7268 3.7268 4.0576 4.0576 4.1413 4.1413 6.1660 6.1660 6.2407 6.2407 6.5998 6.5998 7.4061 7.4061 k = 0.0513 0.0810 0.2129 ( 2093 PWs) bands (ev): -11.2592 -11.2592 -9.5930 -9.5930 -9.5818 -9.5818 -7.3185 -7.3185 -7.3150 -7.3150 -5.7169 -5.7169 -1.0834 -1.0834 -0.4802 -0.4802 -0.1424 -0.1424 -0.1090 -0.1090 1.5948 1.5948 1.7360 1.7360 2.0009 2.0009 3.3533 3.3533 3.5339 3.5339 3.6815 3.6815 4.0388 4.0388 4.1212 4.1212 6.1702 6.1702 6.2440 6.2440 6.6559 6.6559 7.3816 7.3816 k = 0.0466 0.0736 0.1936 ( 2093 PWs) bands (ev): -11.2670 -11.2670 -9.5922 -9.5922 -9.5810 -9.5810 -7.3235 -7.3235 -7.3199 -7.3199 -5.7081 -5.7081 -1.0928 -1.0928 -0.4801 -0.4801 -0.1117 -0.1117 -0.0765 -0.0765 1.6132 1.6132 1.7562 1.7562 2.0419 2.0419 3.3588 3.3588 3.5448 3.5448 3.6385 3.6385 4.0177 4.0177 4.0987 4.0987 6.1747 6.1747 6.2478 6.2478 6.7111 6.7111 7.3582 7.3582 k = 0.0420 0.0663 0.1742 ( 2093 PWs) bands (ev): -11.2741 -11.2741 -9.5916 -9.5916 -9.5803 -9.5803 -7.3280 -7.3280 -7.3245 -7.3245 -5.6999 -5.6999 -1.1012 -1.1012 -0.4799 -0.4799 -0.0823 -0.0823 -0.0454 -0.0454 1.6291 1.6291 1.7738 1.7738 2.0834 2.0834 3.3611 3.3611 3.5582 3.5582 3.6009 3.6009 3.9944 3.9944 4.0742 4.0742 6.1795 6.1795 6.2519 6.2519 6.7651 6.7651 7.3360 7.3360 k = 0.0373 0.0589 0.1549 ( 2087 PWs) bands (ev): -11.2806 -11.2806 -9.5911 -9.5911 -9.5797 -9.5797 -7.3321 -7.3321 -7.3286 -7.3286 -5.6926 -5.6926 -1.1088 -1.1088 -0.4795 -0.4795 -0.0547 -0.0547 -0.0160 -0.0160 1.6427 1.6427 1.7890 1.7890 2.1249 2.1249 3.3566 3.3566 3.5728 3.5728 3.5741 3.5741 3.9691 3.9691 4.0477 4.0477 6.1843 6.1843 6.2563 6.2563 6.8171 6.8171 7.3156 7.3156 k = 0.0326 0.0515 0.1355 ( 2093 PWs) bands (ev): -11.2864 -11.2864 -9.5907 -9.5907 -9.5793 -9.5793 -7.3358 -7.3358 -7.3322 -7.3322 -5.6860 -5.6860 -1.1155 -1.1155 -0.4791 -0.4791 -0.0293 -0.0293 0.0111 0.0111 1.6540 1.6540 1.8016 1.8016 2.1658 2.1658 3.3419 3.3419 3.5583 3.5583 3.5925 3.5925 3.9420 3.9420 4.0195 4.0195 6.1889 6.1889 6.2608 6.2608 6.8667 6.8667 7.2972 7.2972 k = 0.0280 0.0442 0.1162 ( 2093 PWs) bands (ev): -11.2914 -11.2914 -9.5904 -9.5904 -9.5790 -9.5790 -7.3390 -7.3390 -7.3354 -7.3354 -5.6802 -5.6802 -1.1214 -1.1214 -0.4786 -0.4786 -0.0063 -0.0063 0.0356 0.0356 1.6631 1.6631 1.8120 1.8120 2.2055 2.2055 3.3172 3.3172 3.5581 3.5581 3.6133 3.6133 3.9133 3.9133 3.9899 3.9899 6.1934 6.1934 6.2652 6.2652 6.9131 6.9131 7.2812 7.2812 k = 0.0233 0.0368 0.0968 ( 2093 PWs) bands (ev): -11.2957 -11.2957 -9.5901 -9.5901 -9.5787 -9.5787 -7.3417 -7.3417 -7.3381 -7.3381 -5.6752 -5.6752 -1.1263 -1.1263 -0.4781 -0.4781 0.0139 0.0139 0.0571 0.0571 1.6704 1.6704 1.8203 1.8203 2.2428 2.2428 3.2866 3.2866 3.5690 3.5690 3.6363 3.6363 3.8835 3.8835 3.9593 3.9593 6.1974 6.1974 6.2693 6.2693 6.9554 6.9554 7.2681 7.2681 k = 0.0186 0.0294 0.0774 ( 2093 PWs) bands (ev): -11.2993 -11.2993 -9.5900 -9.5900 -9.5785 -9.5785 -7.3440 -7.3440 -7.3404 -7.3404 -5.6712 -5.6712 -1.1304 -1.1304 -0.4776 -0.4776 0.0308 0.0308 0.0753 0.0753 1.6759 1.6759 1.8267 1.8267 2.2767 2.2767 3.2549 3.2549 3.5871 3.5871 3.6611 3.6611 3.8531 3.8531 3.9281 3.9281 6.2010 6.2010 6.2730 6.2730 6.9924 6.9924 7.2584 7.2584 k = 0.0140 0.0221 0.0581 ( 2108 PWs) bands (ev): -11.3020 -11.3020 -9.5899 -9.5899 -9.5784 -9.5784 -7.3458 -7.3458 -7.3421 -7.3421 -5.6680 -5.6680 -1.1336 -1.1336 -0.4773 -0.4773 0.0444 0.0444 0.0898 0.0898 1.6799 1.6799 1.8313 1.8313 2.3056 2.3056 3.2258 3.2258 3.6093 3.6093 3.6871 3.6871 3.8226 3.8226 3.8969 3.8969 6.2037 6.2037 6.2759 6.2759 7.0228 7.0228 7.2521 7.2521 k = 0.0093 0.0147 0.0387 ( 2129 PWs) bands (ev): -11.3040 -11.3040 -9.5898 -9.5898 -9.5783 -9.5783 -7.3470 -7.3470 -7.3434 -7.3434 -5.6657 -5.6657 -1.1358 -1.1358 -0.4770 -0.4770 0.0542 0.0542 0.1003 0.1003 1.6825 1.6825 1.8344 1.8344 2.3278 2.3278 3.2026 3.2026 3.6327 3.6327 3.7131 3.7131 3.7939 3.7939 3.8672 3.8672 6.2058 6.2058 6.2782 6.2782 7.0452 7.0452 7.2491 7.2491 k = 0.0047 0.0074 0.0194 ( 2123 PWs) bands (ev): -11.3052 -11.3052 -9.5897 -9.5897 -9.5782 -9.5782 -7.3478 -7.3478 -7.3441 -7.3441 -5.6643 -5.6643 -1.1372 -1.1372 -0.4768 -0.4768 0.0601 0.0601 0.1068 0.1068 1.6841 1.6841 1.8363 1.8363 2.3420 2.3420 3.1877 3.1877 3.6536 3.6536 3.7361 3.7361 3.7702 3.7702 3.8420 3.8420 6.2072 6.2072 6.2797 6.2797 7.0590 7.0590 7.2484 7.2484 k = 0.0000 0.0000 0.0000 ( 2123 PWs) bands (ev): -11.3056 -11.3056 -9.5897 -9.5897 -9.5782 -9.5782 -7.3481 -7.3481 -7.3444 -7.3444 -5.6639 -5.6639 -1.1376 -1.1376 -0.4767 -0.4767 0.0622 0.0622 0.1089 0.1089 1.6846 1.6846 1.8369 1.8369 2.3469 2.3469 3.1826 3.1826 3.6630 3.6630 3.7469 3.7469 3.7598 3.7598 3.8304 3.8304 6.2076 6.2076 6.2802 6.2802 7.0636 7.0636 7.2485 7.2485 k = 0.0000 0.0000 0.0000 ( 2123 PWs) bands (ev): -11.3056 -11.3056 -9.5897 -9.5897 -9.5782 -9.5782 -7.3481 -7.3481 -7.3444 -7.3444 -5.6639 -5.6639 -1.1376 -1.1376 -0.4767 -0.4767 0.0622 0.0622 0.1089 0.1089 1.6846 1.6846 1.8369 1.8369 2.3469 2.3469 3.1826 3.1826 3.6630 3.6630 3.7469 3.7469 3.7598 3.7598 3.8304 3.8304 6.2076 6.2076 6.2802 6.2802 7.0636 7.0636 7.2485 7.2485 k = 0.0179-0.0113 0.0000 ( 2111 PWs) bands (ev): -11.3049 -11.3049 -9.5907 -9.5907 -9.5792 -9.5792 -7.3480 -7.3480 -7.3438 -7.3438 -5.6626 -5.6626 -1.1354 -1.1354 -0.4788 -0.4788 0.0631 0.0631 0.1100 0.1100 1.6830 1.6830 1.8351 1.8351 2.3453 2.3453 3.1838 3.1838 3.6621 3.6621 3.7268 3.7268 3.7806 3.7806 3.8317 3.8317 6.2005 6.2005 6.2742 6.2742 7.0722 7.0722 7.2477 7.2477 k = 0.0357-0.0226 0.0000 ( 2099 PWs) bands (ev): -11.3027 -11.3027 -9.5939 -9.5939 -9.5818 -9.5818 -7.3491 -7.3491 -7.3407 -7.3407 -5.6587 -5.6587 -1.1287 -1.1287 -0.4850 -0.4850 0.0658 0.0658 0.1133 0.1133 1.6779 1.6779 1.8296 1.8296 2.3406 2.3406 3.1870 3.1870 3.6589 3.6589 3.7022 3.7022 3.8067 3.8067 3.8358 3.8358 6.1762 6.1762 6.2607 6.2607 7.0941 7.0941 7.2457 7.2457 k = 0.0536-0.0339 0.0000 ( 2103 PWs) bands (ev): -11.2990 -11.2990 -9.6000 -9.6000 -9.5854 -9.5854 -7.3518 -7.3518 -7.3347 -7.3347 -5.6523 -5.6523 -1.1176 -1.1176 -0.4952 -0.4952 0.0696 0.0696 0.1191 0.1191 1.6694 1.6694 1.8207 1.8207 2.3331 2.3331 3.1921 3.1921 3.6514 3.6514 3.6803 3.6803 3.8302 3.8302 3.8449 3.8449 6.1334 6.1334 6.2470 6.2470 7.1177 7.1177 7.2460 7.2460 k = 0.0714-0.0452 0.0000 ( 2103 PWs) bands (ev): -11.2938 -11.2938 -9.6093 -9.6093 -9.5896 -9.5896 -7.3557 -7.3557 -7.3262 -7.3262 -5.6436 -5.6436 -1.1021 -1.1021 -0.5087 -0.5087 0.0737 0.0737 0.1278 0.1278 1.6574 1.6574 1.8086 1.8086 2.3237 2.3237 3.1982 3.1982 3.6343 3.6343 3.6662 3.6662 3.8430 3.8430 3.8659 3.8659 6.0777 6.0777 6.2342 6.2342 7.1261 7.1261 7.2579 7.2579 k = 0.0893-0.0565 0.0000 ( 2097 PWs) bands (ev): -11.2872 -11.2872 -9.6217 -9.6217 -9.5942 -9.5942 -7.3606 -7.3606 -7.3153 -7.3153 -5.6328 -5.6328 -1.0823 -1.0823 -0.5251 -0.5251 0.0778 0.0778 0.1394 0.1394 1.6419 1.6419 1.7937 1.7937 2.3130 2.3130 3.2050 3.2050 3.6091 3.6091 3.6591 3.6591 3.8518 3.8518 3.8908 3.8908 6.0162 6.0162 6.2214 6.2214 7.1126 7.1126 7.2812 7.2812 k = 0.1071-0.0678 0.0000 ( 2097 PWs) bands (ev): -11.2792 -11.2792 -9.6371 -9.6371 -9.5993 -9.5993 -7.3664 -7.3664 -7.3023 -7.3023 -5.6200 -5.6200 -1.0582 -1.0582 -0.5439 -0.5439 0.0816 0.0816 0.1535 0.1535 1.6227 1.6227 1.7767 1.7767 2.3019 2.3019 3.2117 3.2117 3.5803 3.5803 3.6542 3.6542 3.8602 3.8602 3.9139 3.9139 5.9548 5.9548 6.2077 6.2077 7.0853 7.0853 7.3042 7.3042 k = 0.1250-0.0791 0.0000 ( 2099 PWs) bands (ev): -11.2698 -11.2698 -9.6550 -9.6550 -9.6050 -9.6050 -7.3730 -7.3730 -7.2873 -7.2873 -5.6057 -5.6057 -1.0298 -1.0298 -0.5646 -0.5646 0.0852 0.0852 0.1695 0.1695 1.5998 1.5998 1.7581 1.7581 2.2908 2.2908 3.2178 3.2178 3.5495 3.5495 3.6501 3.6501 3.8680 3.8680 3.9335 3.9335 5.8979 5.8979 6.1932 6.1932 7.0510 7.0510 7.3236 7.3236 k = 0.1429-0.0904 0.0000 ( 2097 PWs) bands (ev): -11.2590 -11.2590 -9.6753 -9.6753 -9.6111 -9.6111 -7.3801 -7.3801 -7.2704 -7.2704 -5.5900 -5.5900 -0.9974 -0.9974 -0.5867 -0.5867 0.0888 0.0888 0.1868 0.1868 1.5730 1.5730 1.7388 1.7388 2.2803 2.2803 3.2230 3.2230 3.5172 3.5172 3.6462 3.6462 3.8743 3.8743 3.9486 3.9486 5.8492 5.8492 6.1782 6.1782 7.0129 7.0129 7.3415 7.3415 k = 0.1607-0.1018 0.0000 ( 2095 PWs) bands (ev): -11.2470 -11.2470 -9.6978 -9.6978 -9.6178 -9.6178 -7.3876 -7.3876 -7.2519 -7.2519 -5.5733 -5.5733 -0.9610 -0.9610 -0.6096 -0.6096 0.0926 0.0926 0.2051 0.2051 1.5422 1.5422 1.7192 1.7192 2.2707 2.2707 3.2268 3.2268 3.4838 3.4838 3.6424 3.6424 3.8774 3.8774 3.9590 3.9590 5.8112 5.8112 6.1632 6.1632 6.9726 6.9726 7.3589 7.3589 k = 0.1786-0.1131 0.0000 ( 2087 PWs) bands (ev): -11.2338 -11.2338 -9.7223 -9.7223 -9.6248 -9.6248 -7.3955 -7.3955 -7.2320 -7.2320 -5.5559 -5.5559 -0.9210 -0.9210 -0.6329 -0.6329 0.0967 0.0967 0.2238 0.2238 1.5076 1.5076 1.7001 1.7001 2.2622 2.2622 3.2291 3.2291 3.4496 3.4496 3.6380 3.6380 3.8749 3.8749 3.9661 3.9661 5.7857 5.7857 6.1488 6.1488 6.9313 6.9313 7.3763 7.3763 k = 0.1964-0.1244 0.0000 ( 2086 PWs) bands (ev): -11.2194 -11.2194 -9.7485 -9.7485 -9.6320 -9.6320 -7.4035 -7.4035 -7.2108 -7.2108 -5.5381 -5.5381 -0.8778 -0.8778 -0.6557 -0.6557 0.1011 0.1011 0.2425 0.2425 1.4692 1.4692 1.6818 1.6818 2.2547 2.2547 3.2295 3.2295 3.4151 3.4151 3.6325 3.6325 3.8640 3.8640 3.9723 3.9723 5.7732 5.7732 6.1359 6.1359 6.8894 6.8894 7.3935 7.3935 k = 0.2143-0.1357 0.0000 ( 2084 PWs) bands (ev): -11.2040 -11.2040 -9.7762 -9.7762 -9.6395 -9.6395 -7.4117 -7.4117 -7.1888 -7.1888 -5.5203 -5.5203 -0.8328 -0.8328 -0.6767 -0.6767 0.1059 0.1059 0.2612 0.2612 1.4272 1.4272 1.6646 1.6646 2.2483 2.2483 3.2277 3.2277 3.3808 3.3808 3.6251 3.6251 3.8436 3.8436 3.9795 3.9795 5.7731 5.7731 6.1253 6.1253 6.8478 6.8478 7.4103 7.4103 k = 0.2321-0.1470 0.0000 ( 2078 PWs) bands (ev): -11.1876 -11.1876 -9.8050 -9.8050 -9.6470 -9.6470 -7.4197 -7.4197 -7.1660 -7.1660 -5.5026 -5.5026 -0.7907 -0.7907 -0.6908 -0.6908 0.1112 0.1112 0.2794 0.2794 1.3818 1.3818 1.6486 1.6486 2.2429 2.2429 3.2235 3.2235 3.3474 3.3474 3.6147 3.6147 3.8155 3.8155 3.9885 3.9885 5.7837 5.7837 6.1183 6.1183 6.8069 6.8069 7.4263 7.4263 k = 0.2500-0.1583 0.0000 ( 2080 PWs) bands (ev): -11.1703 -11.1703 -9.8348 -9.8348 -9.6546 -9.6546 -7.4277 -7.4277 -7.1429 -7.1429 -5.4854 -5.4854 -0.7690 -0.7690 -0.6808 -0.6808 0.1170 0.1170 0.2971 0.2971 1.3334 1.3334 1.6339 1.6339 2.2382 2.2382 3.2159 3.2159 3.3156 3.3156 3.5996 3.5996 3.7830 3.7830 3.9988 3.9988 5.8018 5.8018 6.1163 6.1163 6.7673 6.7673 7.4411 7.4411 k = 0.2679-0.1696 0.0000 ( 2076 PWs) bands (ev): -11.1524 -11.1524 -9.8652 -9.8652 -9.6620 -9.6620 -7.4353 -7.4353 -7.1195 -7.1195 -5.4689 -5.4689 -0.7763 -0.7763 -0.6378 -0.6378 0.1233 0.1233 0.3142 0.3142 1.2820 1.2820 1.6206 1.6206 2.2340 2.2340 3.2043 3.2043 3.2866 3.2866 3.5784 3.5784 3.7503 3.7503 4.0101 4.0101 5.8241 5.8241 6.1211 6.1211 6.7298 6.7298 7.4547 7.4547 k = 0.2857-0.1809 0.0000 ( 2072 PWs) bands (ev): -11.1339 -11.1339 -9.8959 -9.8959 -9.6693 -9.6693 -7.4427 -7.4427 -7.0964 -7.0964 -5.4532 -5.4532 -0.7937 -0.7937 -0.5807 -0.5807 0.1301 0.1301 0.3304 0.3304 1.2281 1.2281 1.6086 1.6086 2.2300 2.2300 3.1879 3.1879 3.2611 3.2611 3.5505 3.5505 3.7211 3.7211 4.0218 4.0218 5.8466 5.8466 6.1338 6.1338 6.6953 6.6953 7.4667 7.4667 k = 0.3036-0.1922 0.0000 ( 2072 PWs) bands (ev): -11.1150 -11.1150 -9.9265 -9.9265 -9.6763 -9.6763 -7.4497 -7.4497 -7.0737 -7.0737 -5.4385 -5.4385 -0.8132 -0.8132 -0.5177 -0.5177 0.1372 0.1372 0.3457 0.3457 1.1718 1.1718 1.5978 1.5978 2.2259 2.2259 3.1670 3.1670 3.2387 3.2387 3.5171 3.5171 3.6969 3.6969 4.0338 4.0338 5.8662 5.8662 6.1546 6.1546 6.6650 6.6650 7.4770 7.4770 k = 0.3214-0.2035 0.0000 ( 2076 PWs) bands (ev): -11.0960 -11.0960 -9.9568 -9.9568 -9.6830 -9.6830 -7.4562 -7.4562 -7.0516 -7.0516 -5.4250 -5.4250 -0.8325 -0.8325 -0.4510 -0.4510 0.1447 0.1447 0.3600 0.3600 1.1133 1.1133 1.5881 1.5881 2.2213 2.2213 3.1434 3.1434 3.2178 3.2178 3.4816 3.4816 3.6770 3.6770 4.0456 4.0456 5.8820 5.8820 6.1812 6.1812 6.6406 6.6406 7.4854 7.4854 k = 0.3393-0.2148 0.0000 ( 2078 PWs) bands (ev): -11.0772 -11.0772 -9.9863 -9.9863 -9.6892 -9.6892 -7.4623 -7.4623 -7.0307 -7.0307 -5.4128 -5.4128 -0.8509 -0.8509 -0.3817 -0.3817 0.1523 0.1523 0.3731 0.3731 1.0530 1.0530 1.5795 1.5795 2.2159 2.2159 3.1192 3.1192 3.1966 3.1966 3.4474 3.4474 3.6603 3.6603 4.0572 4.0572 5.8941 5.8941 6.2093 6.2093 6.6245 6.6245 7.4919 7.4919 k = 0.3571-0.2261 0.0000 ( 2080 PWs) bands (ev): -11.0587 -11.0587 -10.0146 -10.0146 -9.6950 -9.6950 -7.4678 -7.4678 -7.0110 -7.0110 -5.4019 -5.4019 -0.8681 -0.8681 -0.3103 -0.3103 0.1601 0.1601 0.3848 0.3848 0.9910 0.9910 1.5719 1.5719 2.2096 2.2096 3.0957 3.0957 3.1746 3.1746 3.4169 3.4169 3.6457 3.6457 4.0681 4.0681 5.9038 5.9038 6.2336 6.2336 6.6194 6.6194 7.4965 7.4965 k = 0.3750-0.2374 0.0000 ( 2078 PWs) bands (ev): -11.0410 -11.0410 -10.0413 -10.0413 -9.7002 -9.7002 -7.4727 -7.4727 -6.9928 -6.9928 -5.3923 -5.3923 -0.8837 -0.8837 -0.2374 -0.2374 0.1678 0.1678 0.3948 0.3948 0.9280 0.9280 1.5652 1.5652 2.2022 2.2022 3.0742 3.0742 3.1519 3.1519 3.3912 3.3912 3.6327 3.6327 4.0784 4.0784 5.9121 5.9121 6.2495 6.2495 6.6270 6.6270 7.4991 7.4991 k = 0.3929-0.2487 0.0000 ( 2074 PWs) bands (ev): -11.0243 -11.0243 -10.0658 -10.0658 -9.7049 -9.7049 -7.4770 -7.4770 -6.9765 -6.9765 -5.3840 -5.3840 -0.8975 -0.8975 -0.1638 -0.1638 0.1753 0.1753 0.4027 0.4027 0.8646 0.8646 1.5594 1.5594 2.1940 2.1940 3.0555 3.0555 3.1295 3.1295 3.3702 3.3702 3.6210 3.6210 4.0876 4.0876 5.9199 5.9199 6.2556 6.2556 6.6464 6.6464 7.5000 7.5000 k = 0.4107-0.2600 0.0000 ( 2078 PWs) bands (ev): -11.0092 -11.0092 -10.0878 -10.0878 -9.7089 -9.7089 -7.4807 -7.4807 -6.9623 -6.9623 -5.3771 -5.3771 -0.9094 -0.9094 -0.0905 -0.0905 0.1827 0.1827 0.4077 0.4077 0.8019 0.8019 1.5545 1.5545 2.1852 2.1852 3.0401 3.0401 3.1086 3.1086 3.3534 3.3534 3.6109 3.6109 4.0957 4.0957 5.9274 5.9274 6.2534 6.2534 6.6739 6.6739 7.4992 7.4992 k = 0.4286-0.2713 0.0000 ( 2078 PWs) bands (ev): -10.9961 -10.9961 -10.1067 -10.1067 -9.7122 -9.7122 -7.4838 -7.4838 -6.9503 -6.9503 -5.3715 -5.3715 -0.9194 -0.9194 -0.0188 -0.0188 0.1901 0.1901 0.4087 0.4087 0.7416 0.7416 1.5505 1.5505 2.1765 2.1765 3.0282 3.0282 3.0900 3.0900 3.3402 3.3402 3.6023 3.6023 4.1025 4.1025 5.9346 5.9346 6.2461 6.2461 6.7046 6.7046 7.4972 7.4972 k = 0.4464-0.2827 0.0000 ( 2082 PWs) bands (ev): -10.9853 -10.9853 -10.1220 -10.1220 -9.7148 -9.7148 -7.4862 -7.4862 -6.9408 -6.9408 -5.3672 -5.3672 -0.9272 -0.9272 0.0485 0.0485 0.1984 0.1984 0.4036 0.4036 0.6870 0.6870 1.5473 1.5473 2.1686 2.1686 3.0199 3.0199 3.0744 3.0744 3.3301 3.3301 3.5954 3.5954 4.1080 4.1080 5.9412 5.9412 6.2370 6.2370 6.7337 6.7337 7.4945 7.4945 k = 0.4643-0.2940 0.0000 ( 2076 PWs) bands (ev): -10.9772 -10.9772 -10.1333 -10.1333 -9.7167 -9.7167 -7.4879 -7.4879 -6.9339 -6.9339 -5.3641 -5.3641 -0.9328 -0.9328 0.1056 0.1056 0.2108 0.2108 0.3903 0.3903 0.6428 0.6428 1.5450 1.5450 2.1622 2.1622 3.0149 3.0149 3.0626 3.0626 3.3230 3.3230 3.5904 3.5904 4.1119 4.1119 5.9466 5.9466 6.2286 6.2286 6.7574 6.7574 7.4918 7.4918 k = 0.4821-0.3053 0.0000 ( 2076 PWs) bands (ev): -10.9723 -10.9723 -10.1403 -10.1403 -9.7178 -9.7178 -7.4889 -7.4889 -6.9297 -6.9297 -5.3623 -5.3623 -0.9362 -0.9362 0.1415 0.1415 0.2312 0.2312 0.3699 0.3699 0.6142 0.6142 1.5436 1.5436 2.1582 2.1582 3.0123 3.0123 3.0550 3.0550 3.3187 3.3187 3.5873 3.5873 4.1143 4.1143 5.9502 5.9502 6.2227 6.2227 6.7728 6.7728 7.4898 7.4898 k = 0.5000-0.3166 0.0000 ( 2072 PWs) bands (ev): -10.9706 -10.9706 -10.1426 -10.1426 -9.7182 -9.7182 -7.4893 -7.4893 -6.9283 -6.9283 -5.3617 -5.3617 -0.9373 -0.9373 0.1522 0.1522 0.2456 0.2456 0.3570 0.3570 0.6045 0.6045 1.5431 1.5431 2.1567 2.1567 3.0116 3.0116 3.0523 3.0523 3.3172 3.3172 3.5863 3.5863 4.1151 4.1151 5.9515 5.9515 6.2206 6.2206 6.7781 6.7781 7.4891 7.4891 k = 0.5000-0.3166 0.0000 ( 2072 PWs) bands (ev): -10.9706 -10.9706 -10.1426 -10.1426 -9.7182 -9.7182 -7.4893 -7.4893 -6.9283 -6.9283 -5.3617 -5.3617 -0.9373 -0.9373 0.1522 0.1522 0.2456 0.2456 0.3570 0.3570 0.6045 0.6045 1.5431 1.5431 2.1567 2.1567 3.0116 3.0116 3.0523 3.0523 3.3172 3.3172 3.5863 3.5863 4.1151 4.1151 5.9515 5.9515 6.2206 6.2206 6.7781 6.7781 7.4891 7.4891 k = 0.5088-0.3027-0.0124 ( 2076 PWs) bands (ev): -10.9702 -10.9702 -10.1420 -10.1420 -9.7198 -9.7198 -7.4876 -7.4876 -6.9296 -6.9296 -5.3611 -5.3611 -0.9383 -0.9383 0.1535 0.1535 0.2462 0.2462 0.3589 0.3589 0.6045 0.6045 1.5406 1.5406 2.1571 2.1571 3.0094 3.0094 3.0538 3.0538 3.3180 3.3180 3.5842 3.5842 4.1098 4.1098 5.9501 5.9501 6.2323 6.2323 6.7769 6.7769 7.4884 7.4884 k = 0.5176-0.2887-0.0247 ( 2078 PWs) bands (ev): -10.9691 -10.9691 -10.1403 -10.1403 -9.7245 -9.7245 -7.4829 -7.4829 -6.9335 -6.9335 -5.3593 -5.3593 -0.9412 -0.9412 0.1572 0.1572 0.2480 0.2480 0.3648 0.3648 0.6048 0.6048 1.5329 1.5329 2.1580 2.1580 3.0036 3.0036 3.0572 3.0572 3.3202 3.3202 3.5779 3.5779 4.0944 4.0944 5.9475 5.9475 6.2653 6.2653 6.7732 6.7732 7.4866 7.4866 k = 0.5264-0.2748-0.0371 ( 2078 PWs) bands (ev): -10.9672 -10.9672 -10.1375 -10.1375 -9.7322 -9.7322 -7.4750 -7.4750 -6.9400 -6.9400 -5.3563 -5.3563 -0.9459 -0.9459 0.1630 0.1630 0.2514 0.2514 0.3744 0.3744 0.6053 0.6053 1.5201 1.5201 2.1596 2.1596 2.9957 2.9957 3.0614 3.0614 3.3238 3.3238 3.5672 3.5672 4.0705 4.0705 5.9468 5.9468 6.3149 6.3149 6.7673 6.7673 7.4836 7.4836 k = 0.5352-0.2609-0.0495 ( 2076 PWs) bands (ev): -10.9647 -10.9647 -10.1335 -10.1335 -9.7428 -9.7428 -7.4642 -7.4642 -6.9489 -6.9489 -5.3523 -5.3523 -0.9521 -0.9521 0.1703 0.1703 0.2565 0.2565 0.3875 0.3875 0.6064 0.6064 1.5022 1.5022 2.1616 2.1616 2.9867 2.9867 3.0654 3.0654 3.3285 3.3285 3.5520 3.5520 4.0400 4.0400 5.9504 5.9504 6.3765 6.3765 6.7594 6.7594 7.4794 7.4794 k = 0.5441-0.2470-0.0619 ( 2080 PWs) bands (ev): -10.9615 -10.9615 -10.1283 -10.1283 -9.7561 -9.7561 -7.4508 -7.4508 -6.9601 -6.9601 -5.3474 -5.3474 -0.9597 -0.9597 0.1782 0.1782 0.2635 0.2635 0.4038 0.4038 0.6084 0.6084 1.4793 1.4793 2.1640 2.1640 2.9772 2.9772 3.0689 3.0689 3.3339 3.3339 3.5324 3.5324 4.0053 4.0053 5.9593 5.9593 6.4456 6.4456 6.7506 6.7506 7.4741 7.4741 k = 0.5529-0.2331-0.0742 ( 2076 PWs) bands (ev): -10.9577 -10.9577 -10.1221 -10.1221 -9.7716 -9.7716 -7.4349 -7.4349 -6.9734 -6.9734 -5.3416 -5.3416 -0.9683 -0.9683 0.1863 0.1863 0.2726 0.2726 0.4234 0.4234 0.6116 0.6116 1.4513 1.4513 2.1665 2.1665 2.9677 2.9677 3.0716 3.0716 3.3387 3.3387 3.5096 3.5096 3.9690 3.9690 5.9740 5.9740 6.5169 6.5169 6.7429 6.7429 7.4682 7.4682 k = 0.5617-0.2192-0.0866 ( 2078 PWs) bands (ev): -10.9534 -10.9534 -10.1148 -10.1148 -9.7892 -9.7892 -7.4170 -7.4170 -6.9887 -6.9887 -5.3352 -5.3352 -0.9776 -0.9776 0.1938 0.1938 0.2829 0.2829 0.4461 0.4461 0.6168 0.6168 1.4183 1.4183 2.1690 2.1690 2.9587 2.9587 3.0736 3.0736 3.3403 3.3403 3.4864 3.4864 3.9326 3.9326 5.9940 5.9940 6.5810 6.5810 6.7429 6.7429 7.4622 7.4622 k = 0.5705-0.2052-0.0990 ( 2079 PWs) bands (ev): -10.9487 -10.9487 -10.1065 -10.1065 -9.8085 -9.8085 -7.3973 -7.3973 -7.0058 -7.0058 -5.3282 -5.3282 -0.9874 -0.9874 0.2009 0.2009 0.2936 0.2936 0.4720 0.4720 0.6244 0.6244 1.3804 1.3804 2.1713 2.1713 2.9505 2.9505 3.0749 3.0749 3.3339 3.3339 3.4685 3.4685 3.8973 3.8973 6.0189 6.0189 6.6191 6.6191 6.7672 6.7672 7.4569 7.4569 k = 0.5793-0.1913-0.1114 ( 2077 PWs) bands (ev): -10.9438 -10.9438 -10.0972 -10.0972 -9.8291 -9.8291 -7.3762 -7.3762 -7.0243 -7.0243 -5.3209 -5.3209 -0.9971 -0.9971 0.2073 0.2073 0.3035 0.3035 0.5010 0.5010 0.6351 0.6351 1.3377 1.3377 2.1729 2.1729 2.9433 2.9433 3.0756 3.0756 3.3149 3.3149 3.4621 3.4621 3.8638 3.8638 6.0479 6.0479 6.6226 6.6226 6.8215 6.8215 7.4539 7.4539 k = 0.5881-0.1774-0.1237 ( 2079 PWs) bands (ev): -10.9386 -10.9386 -10.0868 -10.0868 -9.8506 -9.8506 -7.3541 -7.3541 -7.0442 -7.0442 -5.3135 -5.3135 -1.0066 -1.0066 0.2131 0.2131 0.3112 0.3112 0.5332 0.5332 0.6494 0.6494 1.2901 1.2901 2.1736 2.1736 2.9373 2.9373 3.0758 3.0758 3.2848 3.2848 3.4674 3.4674 3.8318 3.8318 6.0803 6.0803 6.6077 6.6077 6.8870 6.8870 7.4550 7.4550 k = 0.5969-0.1635-0.1361 ( 2079 PWs) bands (ev): -10.9334 -10.9334 -10.0756 -10.0756 -9.8726 -9.8726 -7.3314 -7.3314 -7.0651 -7.0651 -5.3060 -5.3060 -1.0155 -1.0155 0.2185 0.2185 0.3160 0.3160 0.5686 0.5686 0.6676 0.6676 1.2380 1.2380 2.1731 2.1731 2.9328 2.9328 3.0755 3.0755 3.2498 3.2498 3.4806 3.4806 3.8011 3.8011 6.1153 6.1153 6.5848 6.5848 6.9504 6.9504 7.4625 7.4625 k = 0.6057-0.1496-0.1485 ( 2081 PWs) bands (ev): -10.9284 -10.9284 -10.0634 -10.0634 -9.8946 -9.8946 -7.3083 -7.3083 -7.0868 -7.0868 -5.2988 -5.2988 -1.0236 -1.0236 0.2234 0.2234 0.3176 0.3176 0.6067 0.6067 0.6897 0.6897 1.1815 1.1815 2.1711 2.1711 2.9295 2.9295 3.0744 3.0744 3.2153 3.2153 3.4986 3.4986 3.7712 3.7712 6.1517 6.1517 6.5577 6.5577 7.0052 7.0052 7.4783 7.4783 k = 0.6145-0.1357-0.1609 ( 2080 PWs) bands (ev): -10.9238 -10.9238 -10.0505 -10.0505 -9.9163 -9.9163 -7.2853 -7.2853 -7.1091 -7.1091 -5.2918 -5.2918 -1.0308 -1.0308 0.2276 0.2276 0.3161 0.3161 0.6469 0.6469 0.7156 0.7156 1.1209 1.1209 2.1675 2.1675 2.9274 2.9274 3.0720 3.0720 3.1855 3.1855 3.5196 3.5196 3.7419 3.7419 6.1886 6.1886 6.5280 6.5280 7.0481 7.0481 7.5039 7.5039 k = 0.6234-0.1217-0.1732 ( 2082 PWs) bands (ev): -10.9197 -10.9197 -10.0367 -10.0367 -9.9371 -9.9371 -7.2627 -7.2627 -7.1318 -7.1318 -5.2854 -5.2854 -1.0366 -1.0366 0.2309 0.2309 0.3119 0.3119 0.6885 0.6885 0.7451 0.7451 1.0568 1.0568 2.1623 2.1623 2.9260 2.9260 3.0676 3.0676 3.1639 3.1639 3.5426 3.5426 3.7131 3.7131 6.2244 6.2244 6.4972 6.4972 7.0783 7.0783 7.5382 7.5382 k = 0.6322-0.1078-0.1856 ( 2082 PWs) bands (ev): -10.9163 -10.9163 -10.0223 -10.0223 -9.9568 -9.9568 -7.2408 -7.2408 -7.1546 -7.1546 -5.2796 -5.2796 -1.0411 -1.0411 0.2327 0.2327 0.3060 0.3060 0.7303 0.7303 0.7776 0.7776 0.9899 0.9899 2.1555 2.1555 2.9248 2.9248 3.0612 3.0612 3.1523 3.1523 3.5668 3.5668 3.6849 3.6849 6.2567 6.2567 6.4674 6.4674 7.0971 7.0971 7.5778 7.5778 k = 0.6410-0.0939-0.1980 ( 2080 PWs) bands (ev): -10.9140 -10.9140 -10.0074 -10.0074 -9.9746 -9.9746 -7.2199 -7.2199 -7.1773 -7.1773 -5.2746 -5.2746 -1.0440 -1.0440 0.2323 0.2323 0.2993 0.2993 0.7710 0.7710 0.8109 0.8109 0.9237 0.9237 2.1476 2.1476 2.9235 2.9235 3.0549 3.0549 3.1498 3.1498 3.5906 3.5906 3.6589 3.6589 6.2809 6.2809 6.4427 6.4427 7.1068 7.1068 7.6176 7.6176 k = 0.6498-0.0800-0.2104 ( 2074 PWs) bands (ev): -10.9129 -10.9129 -9.9953 -9.9953 -9.9869 -9.9869 -7.2020 -7.2020 -7.1979 -7.1979 -5.2706 -5.2706 -1.0452 -1.0452 0.2286 0.2286 0.2932 0.2932 0.8030 0.8030 0.8249 0.8249 0.8851 0.8851 2.1391 2.1391 2.9221 2.9221 3.0509 3.0509 3.1544 3.1544 3.6047 3.6047 3.6441 3.6441 6.2888 6.2888 6.4309 6.4309 7.1096 7.1096 7.6446 7.6446 k = 0.6498-0.0800-0.2104 ( 2074 PWs) bands (ev): -10.9129 -10.9129 -9.9953 -9.9953 -9.9869 -9.9869 -7.2020 -7.2020 -7.1979 -7.1979 -5.2706 -5.2706 -1.0452 -1.0452 0.2286 0.2286 0.2932 0.2932 0.8030 0.8030 0.8249 0.8249 0.8851 0.8851 2.1391 2.1391 2.9221 2.9221 3.0509 3.0509 3.1544 3.1544 3.6047 3.6047 3.6441 3.6441 6.2888 6.2888 6.4309 6.4309 7.1096 7.1096 7.6446 7.6446 k = 0.6545-0.0726-0.1909 ( 2074 PWs) bands (ev): -10.9147 -10.9147 -9.9976 -9.9976 -9.9892 -9.9892 -7.1944 -7.1944 -7.1903 -7.1903 -5.2877 -5.2877 -1.0432 -1.0432 0.2542 0.2542 0.3172 0.3172 0.7876 0.7876 0.8183 0.8183 0.8740 0.8740 2.1767 2.1767 2.9284 2.9284 3.0621 3.0621 3.1237 3.1237 3.6025 3.6025 3.6420 3.6420 6.3055 6.3055 6.4450 6.4450 7.1071 7.1071 7.6340 7.6340 k = 0.6591-0.0652-0.1715 ( 2080 PWs) bands (ev): -10.9163 -10.9163 -9.9992 -9.9992 -9.9909 -9.9909 -7.1869 -7.1869 -7.1829 -7.1829 -5.3056 -5.3056 -1.0406 -1.0406 0.2767 0.2767 0.3374 0.3374 0.7735 0.7735 0.8092 0.8092 0.8641 0.8641 2.2070 2.2070 2.9348 2.9348 3.0732 3.0732 3.1019 3.1019 3.5972 3.5972 3.6368 3.6368 6.3261 6.3261 6.4632 6.4632 7.0968 7.0968 7.6241 7.6241 k = 0.6638-0.0578-0.1520 ( 2077 PWs) bands (ev): -10.9176 -10.9176 -10.0002 -10.0002 -9.9918 -9.9918 -7.1796 -7.1796 -7.1756 -7.1756 -5.3245 -5.3245 -1.0372 -1.0372 0.2952 0.2952 0.3529 0.3529 0.7617 0.7617 0.7987 0.7987 0.8549 0.8549 2.2283 2.2283 2.9421 2.9421 3.0841 3.0841 3.0898 3.0898 3.5891 3.5891 3.6287 3.6287 6.3511 6.3511 6.4859 6.4859 7.0787 7.0787 7.6142 7.6142 k = 0.6685-0.0504-0.1326 ( 2077 PWs) bands (ev): -10.9186 -10.9186 -10.0005 -10.0005 -9.9922 -9.9922 -7.1724 -7.1724 -7.1686 -7.1686 -5.3441 -5.3441 -1.0331 -1.0331 0.3091 0.3091 0.3628 0.3628 0.7528 0.7528 0.7879 0.7879 0.8460 0.8460 2.2396 2.2396 2.9511 2.9511 3.0873 3.0873 3.0946 3.0946 3.5785 3.5785 3.6180 3.6180 6.3804 6.3804 6.5132 6.5132 7.0537 7.0537 7.6041 7.6041 k = 0.6732-0.0430-0.1132 ( 2083 PWs) bands (ev): -10.9193 -10.9193 -10.0001 -10.0001 -9.9918 -9.9918 -7.1655 -7.1655 -7.1617 -7.1617 -5.3645 -5.3645 -1.0284 -1.0284 0.3176 0.3176 0.3664 0.3664 0.7476 0.7476 0.7772 0.7772 0.8374 0.8374 2.2408 2.2408 2.9621 2.9621 3.0941 3.0941 3.1048 3.1048 3.5658 3.5658 3.6052 3.6052 6.4141 6.4141 6.5452 6.5452 7.0222 7.0222 7.5934 7.5934 k = 0.6779-0.0356-0.0937 ( 2086 PWs) bands (ev): -10.9197 -10.9197 -9.9991 -9.9991 -9.9908 -9.9908 -7.1588 -7.1588 -7.1550 -7.1550 -5.3855 -5.3855 -1.0229 -1.0229 0.3203 0.3203 0.3632 0.3632 0.7462 0.7462 0.7665 0.7665 0.8295 0.8295 2.2327 2.2327 2.9742 2.9742 3.1100 3.1100 3.1144 3.1144 3.5516 3.5516 3.5908 3.5908 6.4521 6.4521 6.5816 6.5816 6.9857 6.9857 7.5818 7.5818 k = 0.6825-0.0282-0.0743 ( 2083 PWs) bands (ev): -10.9200 -10.9200 -9.9974 -9.9974 -9.9891 -9.9891 -7.1522 -7.1522 -7.1486 -7.1486 -5.4073 -5.4073 -1.0168 -1.0168 0.3168 0.3168 0.3534 0.3534 0.7486 0.7486 0.7549 0.7549 0.8237 0.8237 2.2170 2.2170 2.9857 2.9857 3.1233 3.1233 3.1347 3.1347 3.5365 3.5365 3.5754 3.5754 6.4940 6.4940 6.6220 6.6220 6.9450 6.9450 7.5690 7.5690 k = 0.6872-0.0209-0.0548 ( 2068 PWs) bands (ev): -10.9199 -10.9199 -9.9950 -9.9950 -9.9868 -9.9868 -7.1459 -7.1459 -7.1424 -7.1424 -5.4296 -5.4296 -1.0100 -1.0100 0.3074 0.3074 0.3376 0.3376 0.7411 0.7411 0.7541 0.7541 0.8211 0.8211 2.1953 2.1953 2.9955 2.9955 3.1316 3.1316 3.1670 3.1670 3.5215 3.5215 3.5598 3.5598 6.5396 6.5396 6.6661 6.6661 6.9015 6.9015 7.5550 7.5550 k = 0.6919-0.0135-0.0354 ( 2074 PWs) bands (ev): -10.9197 -10.9197 -9.9920 -9.9920 -9.9837 -9.9837 -7.1399 -7.1399 -7.1364 -7.1364 -5.4524 -5.4524 -1.0025 -1.0025 0.2922 0.2922 0.3166 0.3166 0.7239 0.7239 0.7619 0.7619 0.8222 0.8222 2.1694 2.1694 3.0031 3.0031 3.1389 3.1389 3.2048 3.2048 3.5074 3.5074 3.5443 3.5443 6.5883 6.5883 6.7120 6.7120 6.8569 6.8569 7.5394 7.5394 k = 0.6966-0.0061-0.0160 ( 2068 PWs) bands (ev): -10.9193 -10.9193 -9.9883 -9.9883 -9.9801 -9.9801 -7.1341 -7.1341 -7.1306 -7.1306 -5.4756 -5.4756 -0.9944 -0.9944 0.2721 0.2721 0.2913 0.2913 0.7034 0.7034 0.7710 0.7710 0.8267 0.8267 2.1410 2.1410 3.0085 3.0085 3.1452 3.1452 3.2457 3.2457 3.4955 3.4955 3.5298 3.5298 6.6398 6.6398 6.7517 6.7517 6.8201 6.8201 7.5223 7.5223 k = 0.7013 0.0013 0.0035 ( 2068 PWs) bands (ev): -10.9187 -10.9187 -9.9840 -9.9840 -9.9757 -9.9757 -7.1286 -7.1286 -7.1252 -7.1252 -5.4993 -5.4993 -0.9856 -0.9856 0.2477 0.2477 0.2625 0.2625 0.6796 0.6796 0.7807 0.7807 0.8338 0.8338 2.1111 2.1111 3.0119 3.0119 3.1504 3.1504 3.2870 3.2870 3.4874 3.4874 3.5169 3.5169 6.6934 6.6934 6.7396 6.7396 6.8364 6.8364 7.5036 7.5036 k = 0.7060 0.0087 0.0229 ( 2068 PWs) bands (ev): -10.9180 -10.9180 -9.9790 -9.9790 -9.9707 -9.9707 -7.1233 -7.1233 -7.1200 -7.1200 -5.5232 -5.5232 -0.9761 -0.9761 0.2196 0.2196 0.2310 0.2310 0.6531 0.6531 0.7904 0.7904 0.8424 0.8424 2.0806 2.0806 3.0134 3.0134 3.1544 3.1544 3.3253 3.3253 3.4856 3.4856 3.5060 3.5060 6.6946 6.6946 6.7486 6.7486 6.8872 6.8872 7.4833 7.4833 k = 0.7106 0.0161 0.0424 ( 2071 PWs) bands (ev): -10.9172 -10.9172 -9.9734 -9.9734 -9.9652 -9.9652 -7.1184 -7.1184 -7.1151 -7.1151 -5.5473 -5.5473 -0.9661 -0.9661 0.1886 0.1886 0.1971 0.1971 0.6239 0.6239 0.7996 0.7996 0.8518 0.8518 2.0498 2.0498 3.0132 3.0132 3.1574 3.1574 3.3565 3.3565 3.4936 3.4936 3.4977 3.4977 6.6453 6.6453 6.8048 6.8048 6.9438 6.9438 7.4617 7.4617 k = 0.7153 0.0235 0.0618 ( 2071 PWs) bands (ev): -10.9163 -10.9163 -9.9673 -9.9673 -9.9590 -9.9590 -7.1137 -7.1137 -7.1105 -7.1105 -5.5715 -5.5715 -0.9554 -0.9554 0.1552 0.1552 0.1616 0.1616 0.5925 0.5925 0.8079 0.8079 0.8614 0.8614 2.0197 2.0197 3.0115 3.0115 3.1593 3.1593 3.3776 3.3776 3.4922 3.4922 3.5141 3.5141 6.5954 6.5954 6.8611 6.8611 7.0024 7.0024 7.4389 7.4389 k = 0.7200 0.0309 0.0812 ( 2071 PWs) bands (ev): -10.9154 -10.9154 -9.9605 -9.9605 -9.9522 -9.9522 -7.1094 -7.1094 -7.1063 -7.1063 -5.5957 -5.5957 -0.9441 -0.9441 0.1200 0.1200 0.1247 0.1247 0.5591 0.5591 0.8152 0.8152 0.8709 0.8709 1.9902 1.9902 3.0085 3.0085 3.1604 3.1604 3.3901 3.3901 3.4897 3.4897 3.5449 3.5449 6.5457 6.5457 6.9168 6.9168 7.0619 7.0619 7.4155 7.4155 k = 0.7247 0.0383 0.1007 ( 2083 PWs) bands (ev): -10.9145 -10.9145 -9.9532 -9.9532 -9.9449 -9.9449 -7.1055 -7.1055 -7.1024 -7.1024 -5.6198 -5.6198 -0.9322 -0.9322 0.0833 0.0833 0.0867 0.0867 0.5238 0.5238 0.8211 0.8211 0.8797 0.8797 1.9616 1.9616 3.0047 3.0047 3.1610 3.1610 3.3986 3.3986 3.4902 3.4902 3.5810 3.5810 6.4967 6.4967 6.9704 6.9704 7.1215 7.1215 7.3920 7.3920 k = 0.7294 0.0457 0.1201 ( 2077 PWs) bands (ev): -10.9136 -10.9136 -9.9454 -9.9454 -9.9370 -9.9370 -7.1018 -7.1018 -7.0988 -7.0988 -5.6438 -5.6438 -0.9198 -0.9198 0.0455 0.0455 0.0481 0.0481 0.4869 0.4869 0.8259 0.8259 0.8878 0.8878 1.9339 1.9339 3.0006 3.0006 3.1615 3.1615 3.4062 3.4062 3.4936 3.4936 3.6189 3.6189 6.4489 6.4489 7.0204 7.0204 7.1804 7.1804 7.3701 7.3701 k = 0.7340 0.0531 0.1396 ( 2071 PWs) bands (ev): -10.9128 -10.9128 -9.9370 -9.9370 -9.9287 -9.9287 -7.0986 -7.0986 -7.0957 -7.0957 -5.6675 -5.6675 -0.9068 -0.9068 0.0070 0.0070 0.0090 0.0090 0.4485 0.4485 0.8293 0.8293 0.8949 0.8949 1.9072 1.9072 2.9965 2.9965 3.1622 3.1622 3.4145 3.4145 3.4997 3.4997 3.6566 3.6566 6.4024 6.4024 7.0638 7.0638 7.2372 7.2372 7.3423 7.3423 k = 0.7387 0.0605 0.1590 ( 2077 PWs) bands (ev): -10.9122 -10.9122 -9.9282 -9.9282 -9.9198 -9.9198 -7.0958 -7.0958 -7.0929 -7.0929 -5.6908 -5.6908 -0.8933 -0.8933 -0.0320 -0.0320 -0.0304 -0.0304 0.4089 0.4089 0.8316 0.8316 0.9011 0.9011 1.8814 1.8814 2.9928 2.9928 3.1635 3.1635 3.4242 3.4242 3.5084 3.5084 3.6931 3.6931 6.3574 6.3574 7.0957 7.0957 7.2810 7.2810 7.3216 7.3216 k = 0.7434 0.0679 0.1784 ( 2083 PWs) bands (ev): -10.9117 -10.9117 -9.9190 -9.9190 -9.9106 -9.9106 -7.0934 -7.0934 -7.0905 -7.0905 -5.7136 -5.7136 -0.8794 -0.8794 -0.0712 -0.0712 -0.0697 -0.0697 0.3683 0.3683 0.8327 0.8327 0.9062 0.9062 1.8565 1.8565 2.9900 2.9900 3.1656 3.1656 3.4354 3.4354 3.5192 3.5192 3.7277 3.7277 6.3140 6.3140 7.1105 7.1105 7.2641 7.2641 7.3476 7.3476 k = 0.7481 0.0753 0.1979 ( 2083 PWs) bands (ev): -10.9114 -10.9114 -9.9094 -9.9094 -9.9009 -9.9009 -7.0914 -7.0914 -7.0886 -7.0886 -5.7359 -5.7359 -0.8651 -0.8651 -0.1103 -0.1103 -0.1089 -0.1089 0.3268 0.3268 0.8329 0.8329 0.9105 0.9105 1.8325 1.8325 2.9883 2.9883 3.1689 3.1689 3.4483 3.4483 3.5322 3.5322 3.7604 3.7604 6.2725 6.2725 7.1066 7.1066 7.2294 7.2294 7.3676 7.3676 k = 0.7528 0.0826 0.2173 ( 2077 PWs) bands (ev): -10.9114 -10.9114 -9.8994 -9.8994 -9.8909 -9.8909 -7.0898 -7.0898 -7.0870 -7.0870 -5.7575 -5.7575 -0.8504 -0.8504 -0.1491 -0.1491 -0.1476 -0.1476 0.2846 0.2846 0.8323 0.8323 0.9139 0.9139 1.8093 1.8093 2.9880 2.9880 3.1735 3.1735 3.4627 3.4627 3.5470 3.5470 3.7910 3.7910 6.2328 6.2328 7.0883 7.0883 7.1922 7.1922 7.3985 7.3985 k = 0.7574 0.0900 0.2368 ( 2089 PWs) bands (ev): -10.9117 -10.9117 -9.8890 -9.8890 -9.8806 -9.8806 -7.0887 -7.0887 -7.0860 -7.0860 -5.7784 -5.7784 -0.8355 -0.8355 -0.1876 -0.1876 -0.1858 -0.1858 0.2419 0.2419 0.8310 0.8310 0.9166 0.9166 1.7867 1.7867 2.9892 2.9892 3.1795 3.1795 3.4785 3.4785 3.5634 3.5634 3.8196 3.8196 6.1949 6.1949 7.0608 7.0608 7.1535 7.1535 7.4347 7.4347 k = 0.7621 0.0974 0.2562 ( 2083 PWs) bands (ev): -10.9124 -10.9124 -9.8784 -9.8784 -9.8699 -9.8699 -7.0880 -7.0880 -7.0854 -7.0854 -5.7983 -5.7983 -0.8203 -0.8203 -0.2252 -0.2252 -0.2232 -0.2232 0.1989 0.1989 0.8294 0.8294 0.9188 0.9188 1.7650 1.7650 2.9921 2.9921 3.1870 3.1870 3.4956 3.4956 3.5813 3.5813 3.8464 3.8464 6.1590 6.1590 7.0280 7.0280 7.1140 7.1140 7.4727 7.4727 k = 0.7668 0.1048 0.2756 ( 2065 PWs) bands (ev): -10.9134 -10.9134 -9.8676 -9.8676 -9.8590 -9.8590 -7.0878 -7.0878 -7.0852 -7.0852 -5.8174 -5.8174 -0.8050 -0.8050 -0.2619 -0.2619 -0.2597 -0.2597 0.1556 0.1556 0.8277 0.8277 0.9207 0.9207 1.7438 1.7438 2.9968 2.9968 3.1961 3.1961 3.5140 3.5140 3.6007 3.6007 3.8714 3.8714 6.1251 6.1251 6.9919 6.9919 7.0737 7.0737 7.5104 7.5104 k = 0.7715 0.1122 0.2951 ( 2059 PWs) bands (ev): -10.9148 -10.9148 -9.8565 -9.8565 -9.8479 -9.8479 -7.0881 -7.0881 -7.0855 -7.0855 -5.8354 -5.8354 -0.7896 -0.7896 -0.2977 -0.2977 -0.2950 -0.2950 0.1123 0.1123 0.8260 0.8260 0.9224 0.9224 1.7232 1.7232 3.0030 3.0030 3.2065 3.2065 3.5335 3.5335 3.6213 3.6213 3.8949 3.8949 6.0930 6.0930 6.9537 6.9537 7.0329 7.0329 7.5463 7.5463 k = 0.7762 0.1196 0.3145 ( 2050 PWs) bands (ev): -10.9167 -10.9167 -9.8453 -9.8453 -9.8366 -9.8366 -7.0889 -7.0889 -7.0863 -7.0863 -5.8523 -5.8523 -0.7743 -0.7743 -0.3322 -0.3322 -0.3291 -0.3291 0.0691 0.0691 0.8246 0.8246 0.9242 0.9242 1.7032 1.7032 3.0109 3.0109 3.2183 3.2183 3.5540 3.5540 3.6430 3.6430 3.9171 3.9171 6.0626 6.0626 6.9140 6.9140 6.9917 6.9917 7.5801 7.5801 k = 0.7808 0.1270 0.3340 ( 2056 PWs) bands (ev): -10.9190 -10.9190 -9.8340 -9.8340 -9.8253 -9.8253 -7.0901 -7.0901 -7.0875 -7.0875 -5.8681 -5.8681 -0.7591 -0.7591 -0.3653 -0.3653 -0.3619 -0.3619 0.0261 0.0261 0.8236 0.8236 0.9261 0.9261 1.6837 1.6837 3.0203 3.0203 3.2313 3.2313 3.5753 3.5753 3.6656 3.6656 3.9381 3.9381 6.0340 6.0340 6.8734 6.8734 6.9503 6.9503 7.6113 7.6113 k = 0.7855 0.1344 0.3534 ( 2056 PWs) bands (ev): -10.9219 -10.9219 -9.8226 -9.8226 -9.8138 -9.8138 -7.0919 -7.0919 -7.0893 -7.0893 -5.8826 -5.8826 -0.7443 -0.7443 -0.3969 -0.3969 -0.3930 -0.3930 -0.0165 -0.0165 0.8234 0.8234 0.9286 0.9286 1.6649 1.6649 3.0310 3.0310 3.2454 3.2454 3.5974 3.5974 3.6892 3.6892 3.9582 3.9582 6.0070 6.0070 6.8323 6.8323 6.9089 6.9089 7.6397 7.6397 k = 0.7902 0.1418 0.3728 ( 2056 PWs) bands (ev): -10.9253 -10.9253 -9.8111 -9.8111 -9.8023 -9.8023 -7.0941 -7.0941 -7.0916 -7.0916 -5.8958 -5.8958 -0.7299 -0.7299 -0.4269 -0.4269 -0.4225 -0.4225 -0.0585 -0.0585 0.8240 0.8240 0.9317 0.9317 1.6467 1.6467 3.0431 3.0431 3.2605 3.2605 3.6202 3.6202 3.7135 3.7135 3.9776 3.9776 5.9818 5.9818 6.7909 6.7909 6.8678 6.8678 7.6652 7.6652 k = 0.7949 0.1492 0.3923 ( 2053 PWs) bands (ev): -10.9293 -10.9293 -9.7997 -9.7997 -9.7908 -9.7908 -7.0968 -7.0968 -7.0943 -7.0943 -5.9076 -5.9076 -0.7161 -0.7161 -0.4550 -0.4550 -0.4502 -0.4502 -0.0998 -0.0998 0.8258 0.8258 0.9357 0.9357 1.6293 1.6293 3.0563 3.0563 3.2764 3.2764 3.6436 3.6436 3.7385 3.7385 3.9965 3.9965 5.9582 5.9582 6.7496 6.7496 6.8269 6.8269 7.6879 7.6879 k = 0.7996 0.1566 0.4117 ( 2053 PWs) bands (ev): -10.9339 -10.9339 -9.7883 -9.7883 -9.7794 -9.7794 -7.1000 -7.1000 -7.0975 -7.0975 -5.9181 -5.9181 -0.7031 -0.7031 -0.4812 -0.4812 -0.4760 -0.4760 -0.1402 -0.1402 0.8287 0.8287 0.9408 0.9408 1.6125 1.6125 3.0705 3.0705 3.2929 3.2929 3.6674 3.6674 3.7640 3.7640 4.0149 4.0149 5.9362 5.9362 6.7086 6.7086 6.7866 6.7866 7.6914 7.6914 k = 0.7996 0.1566 0.4117 ( 2053 PWs) bands (ev): -10.9339 -10.9339 -9.7883 -9.7883 -9.7794 -9.7794 -7.1000 -7.1000 -7.0975 -7.0975 -5.9181 -5.9181 -0.7031 -0.7031 -0.4812 -0.4812 -0.4760 -0.4760 -0.1402 -0.1402 0.8287 0.8287 0.9408 0.9408 1.6125 1.6125 3.0705 3.0705 3.2929 3.2929 3.6674 3.6674 3.7640 3.7640 4.0149 4.0149 5.9362 5.9362 6.7086 6.7086 6.7866 6.7866 7.6914 7.6914 k = 0.7829 0.1610 0.4234 ( 2055 PWs) bands (ev): -10.9359 -10.9359 -9.7899 -9.7899 -9.7684 -9.7684 -7.1172 -7.1172 -7.0842 -7.0842 -5.9209 -5.9209 -0.6986 -0.6986 -0.5212 -0.5212 -0.4588 -0.4588 -0.1497 -0.1497 0.8184 0.8184 0.9544 0.9544 1.6047 1.6047 3.0686 3.0686 3.3059 3.3059 3.6664 3.6664 3.7822 3.7822 4.0254 4.0254 5.9270 5.9270 6.6825 6.6825 6.7832 6.7832 7.6864 7.6864 k = 0.7663 0.1655 0.4351 ( 2058 PWs) bands (ev): -10.9380 -10.9380 -9.7939 -9.7939 -9.7546 -9.7546 -7.1365 -7.1365 -7.0708 -7.0708 -5.9217 -5.9217 -0.6951 -0.6951 -0.5680 -0.5680 -0.4392 -0.4392 -0.1472 -0.1472 0.7916 0.7916 0.9834 0.9834 1.5942 1.5942 3.0543 3.0543 3.3284 3.3284 3.6506 3.6506 3.8097 3.8097 4.0420 4.0420 5.9168 5.9168 6.6475 6.6475 6.7950 6.7950 7.6799 7.6799 k = 0.7496 0.1699 0.4468 ( 2054 PWs) bands (ev): -10.9403 -10.9403 -9.7976 -9.7976 -9.7407 -9.7407 -7.1566 -7.1566 -7.0584 -7.0584 -5.9207 -5.9207 -0.6932 -0.6932 -0.6167 -0.6167 -0.4195 -0.4195 -0.1346 -0.1346 0.7573 0.7573 1.0189 1.0189 1.5810 1.5810 3.0327 3.0327 3.3556 3.3556 3.6278 3.6278 3.8388 3.8388 4.0636 4.0636 5.9069 5.9069 6.6126 6.6126 6.8129 6.8129 7.6740 7.6740 k = 0.7330 0.1744 0.4585 ( 2055 PWs) bands (ev): -10.9427 -10.9427 -9.8008 -9.8008 -9.7270 -9.7270 -7.1772 -7.1772 -7.0469 -7.0469 -5.9184 -5.9184 -0.6965 -0.6965 -0.6616 -0.6616 -0.3997 -0.3997 -0.1139 -0.1139 0.7197 0.7197 1.0569 1.0569 1.5647 1.5647 3.0081 3.0081 3.3834 3.3834 3.6016 3.6016 3.8667 3.8667 4.0882 4.0882 5.8986 5.8986 6.5804 6.5804 6.8338 6.8338 7.6681 7.6681 k = 0.7164 0.1788 0.4701 ( 2055 PWs) bands (ev): -10.9451 -10.9451 -9.8036 -9.8036 -9.7135 -9.7135 -7.1980 -7.1980 -7.0364 -7.0364 -5.9148 -5.9148 -0.7268 -0.7268 -0.6797 -0.6797 -0.3796 -0.3796 -0.0868 -0.0868 0.6802 0.6802 1.0956 1.0956 1.5455 1.5455 2.9835 2.9835 3.4085 3.4085 3.5746 3.5746 3.8925 3.8925 4.1139 4.1139 5.8935 5.8935 6.5517 6.5517 6.8564 6.8564 7.6616 7.6616 k = 0.6997 0.1832 0.4818 ( 2058 PWs) bands (ev): -10.9476 -10.9476 -9.8059 -9.8059 -9.7005 -9.7005 -7.2186 -7.2186 -7.0268 -7.0268 -5.9104 -5.9104 -0.7725 -0.7725 -0.6813 -0.6813 -0.3589 -0.3589 -0.0549 -0.0549 0.6400 0.6400 1.1340 1.1340 1.5234 1.5234 2.9607 2.9607 3.4268 3.4268 3.5506 3.5506 3.9163 3.9163 4.1384 4.1384 5.8929 5.8929 6.5265 6.5265 6.8802 6.8802 7.6538 7.6538 k = 0.6831 0.1877 0.4935 ( 2063 PWs) bands (ev): -10.9500 -10.9500 -9.8079 -9.8079 -9.6880 -9.6880 -7.2388 -7.2388 -7.0180 -7.0180 -5.9054 -5.9054 -0.8180 -0.8180 -0.6814 -0.6814 -0.3374 -0.3374 -0.0194 -0.0194 0.5997 0.5997 1.1710 1.1710 1.4988 1.4988 2.9412 2.9412 3.4315 3.4315 3.5362 3.5362 3.9381 3.9381 4.1601 4.1601 5.8982 5.8982 6.5045 6.5045 6.9046 6.9046 7.6446 7.6446 k = 0.6664 0.1921 0.5052 ( 2063 PWs) bands (ev): -10.9524 -10.9524 -9.8094 -9.8094 -9.6762 -9.6762 -7.2583 -7.2583 -7.0101 -7.0101 -5.9000 -5.9000 -0.8612 -0.8612 -0.6813 -0.6813 -0.3149 -0.3149 0.0183 0.0183 0.5600 0.5600 1.2056 1.2056 1.4723 1.4723 2.9259 2.9259 3.4180 3.4180 3.5360 3.5360 3.9581 3.9581 4.1779 4.1779 5.9100 5.9100 6.4854 6.4854 6.9294 6.9294 7.6340 7.6340 k = 0.6498 0.1966 0.5169 ( 2066 PWs) bands (ev): -10.9547 -10.9547 -9.8106 -9.8106 -9.6651 -9.6651 -7.2768 -7.2768 -7.0031 -7.0031 -5.8944 -5.8944 -0.9014 -0.9014 -0.6814 -0.6814 -0.2913 -0.2913 0.0569 0.0569 0.5216 0.5216 1.2362 1.2362 1.4454 1.4454 2.9156 2.9156 3.3920 3.3920 3.5445 3.5445 3.9766 3.9766 4.1910 4.1910 5.9287 5.9287 6.4687 6.4687 6.9538 6.9538 7.6221 7.6221 k = 0.6331 0.2010 0.5286 ( 2062 PWs) bands (ev): -10.9569 -10.9569 -9.8115 -9.8115 -9.6548 -9.6548 -7.2941 -7.2941 -6.9968 -6.9968 -5.8890 -5.8890 -0.9381 -0.9381 -0.6817 -0.6817 -0.2669 -0.2669 0.0950 0.0950 0.4855 0.4855 1.2598 1.2598 1.4210 1.4210 2.9105 2.9105 3.3606 3.3606 3.5546 3.5546 3.9940 3.9940 4.1993 4.1993 5.9537 5.9537 6.4539 6.4539 6.9777 6.9777 7.6091 7.6091 k = 0.6165 0.2055 0.5403 ( 2068 PWs) bands (ev): -10.9589 -10.9589 -9.8122 -9.8122 -9.6455 -9.6455 -7.3099 -7.3099 -6.9913 -6.9913 -5.8837 -5.8837 -0.9710 -0.9710 -0.6821 -0.6821 -0.2418 -0.2418 0.1305 0.1305 0.4533 0.4533 1.2713 1.2713 1.4046 1.4046 2.9108 2.9108 3.3270 3.3270 3.5630 3.5630 4.0107 4.0107 4.2028 4.2028 5.9841 5.9841 6.4404 6.4404 7.0007 7.0007 7.5950 7.5950 k = 0.5999 0.2099 0.5520 ( 2072 PWs) bands (ev): -10.9607 -10.9607 -9.8127 -9.8127 -9.6372 -9.6372 -7.3240 -7.3240 -6.9866 -6.9866 -5.8789 -5.8789 -1.0000 -1.0000 -0.6826 -0.6826 -0.2164 -0.2164 0.1605 0.1605 0.4270 0.4270 1.2657 1.2657 1.4017 1.4017 2.9162 2.9162 3.2930 3.2930 3.5688 3.5688 4.0272 4.0272 4.2022 4.2022 6.0186 6.0186 6.4277 6.4277 7.0223 7.0223 7.5801 7.5801 k = 0.5832 0.2144 0.5636 ( 2074 PWs) bands (ev): -10.9623 -10.9623 -9.8131 -9.8131 -9.6300 -9.6300 -7.3363 -7.3363 -6.9827 -6.9827 -5.8746 -5.8746 -1.0247 -1.0247 -0.6830 -0.6830 -0.1913 -0.1913 0.1817 0.1817 0.4099 0.4099 1.2465 1.2465 1.4097 1.4097 2.9261 2.9261 3.2594 3.2594 3.5717 3.5717 4.0438 4.0438 4.1978 4.1978 6.0553 6.0553 6.4153 6.4153 7.0421 7.0421 7.5645 7.5645 k = 0.5666 0.2188 0.5753 ( 2072 PWs) bands (ev): -10.9636 -10.9636 -9.8133 -9.8133 -9.6240 -9.6240 -7.3466 -7.3466 -6.9794 -6.9794 -5.8709 -5.8709 -1.0452 -1.0452 -0.6834 -0.6834 -0.1672 -0.1672 0.1910 0.1910 0.4040 0.4040 1.2216 1.2216 1.4219 1.4219 2.9399 2.9399 3.2270 3.2270 3.5724 3.5724 4.0608 4.0608 4.1902 4.1902 6.0923 6.0923 6.4028 6.4028 7.0597 7.0597 7.5489 7.5489 k = 0.5499 0.2232 0.5870 ( 2068 PWs) bands (ev): -10.9647 -10.9647 -9.8135 -9.8135 -9.6192 -9.6192 -7.3548 -7.3548 -6.9769 -6.9769 -5.8680 -5.8680 -1.0612 -1.0612 -0.6838 -0.6838 -0.1453 -0.1453 0.1894 0.1894 0.4081 0.4081 1.1971 1.1971 1.4337 1.4337 2.9561 2.9561 3.1969 3.1969 3.5715 3.5715 4.0779 4.0779 4.1801 4.1801 6.1269 6.1269 6.3903 6.3903 7.0744 7.0744 7.5343 7.5343 k = 0.5333 0.2277 0.5987 ( 2076 PWs) bands (ev): -10.9654 -10.9654 -9.8135 -9.8135 -9.6158 -9.6158 -7.3607 -7.3607 -6.9751 -6.9751 -5.8658 -5.8658 -1.0727 -1.0727 -0.6841 -0.6841 -0.1274 -0.1274 0.1820 0.1820 0.4168 0.4168 1.1768 1.1768 1.4430 1.4430 2.9726 2.9726 3.1709 3.1709 3.5700 3.5700 4.0946 4.0946 4.1682 4.1682 6.1562 6.1562 6.3785 6.3785 7.0855 7.0855 7.5220 7.5220 k = 0.5166 0.2321 0.6104 ( 2078 PWs) bands (ev): -10.9659 -10.9659 -9.8136 -9.8136 -9.6138 -9.6138 -7.3642 -7.3642 -6.9741 -6.9741 -5.8645 -5.8645 -1.0796 -1.0796 -0.6843 -0.6843 -0.1153 -0.1153 0.1748 0.1748 0.4244 0.4244 1.1635 1.1635 1.4489 1.4489 2.9859 2.9859 3.1519 3.1519 3.5687 3.5687 4.1095 4.1095 4.1562 4.1562 6.1766 6.1766 6.3694 6.3694 7.0925 7.0925 7.5138 7.5138 k = 0.5000 0.2366 0.6221 ( 2078 PWs) bands (ev): -10.9661 -10.9661 -9.8136 -9.8136 -9.6131 -9.6131 -7.3654 -7.3654 -6.9737 -6.9737 -5.8641 -5.8641 -1.0819 -1.0819 -0.6844 -0.6844 -0.1110 -0.1110 0.1719 0.1719 0.4273 0.4273 1.1588 1.1588 1.4509 1.4509 2.9913 2.9913 3.1447 3.1447 3.5682 3.5682 4.1170 4.1170 4.1496 4.1496 6.1841 6.1841 6.3658 6.3658 7.0949 7.0949 7.5110 7.5110 k = 0.5000 0.2366 0.6221 ( 2078 PWs) bands (ev): -10.9661 -10.9661 -9.8136 -9.8136 -9.6131 -9.6131 -7.3654 -7.3654 -6.9737 -6.9737 -5.8641 -5.8641 -1.0819 -1.0819 -0.6844 -0.6844 -0.1110 -0.1110 0.1719 0.1719 0.4273 0.4273 1.1588 1.1588 1.4509 1.4509 2.9913 2.9913 3.1447 3.1447 3.5682 3.5682 4.1170 4.1170 4.1496 4.1496 6.1841 6.1841 6.3658 6.3658 7.0949 7.0949 7.5110 7.5110 k = 0.5000 0.2168 0.6296 ( 2078 PWs) bands (ev): -10.9657 -10.9657 -9.8136 -9.8136 -9.6136 -9.6136 -7.3656 -7.3656 -6.9759 -6.9759 -5.8610 -5.8610 -1.0807 -1.0807 -0.6854 -0.6854 -0.1115 -0.1115 0.1726 0.1726 0.4274 0.4274 1.1606 1.1606 1.4521 1.4521 2.9856 2.9856 3.1462 3.1462 3.5693 3.5693 4.0729 4.0729 4.1875 4.1875 6.1812 6.1812 6.3694 6.3694 7.0933 7.0933 7.5156 7.5156 k = 0.5000 0.1971 0.6371 ( 2078 PWs) bands (ev): -10.9644 -10.9644 -9.8136 -9.8136 -9.6153 -9.6153 -7.3660 -7.3660 -6.9824 -6.9824 -5.8518 -5.8518 -1.0771 -1.0771 -0.6884 -0.6884 -0.1129 -0.1129 0.1747 0.1747 0.4277 0.4277 1.1656 1.1656 1.4556 1.4556 2.9693 2.9693 3.1503 3.1503 3.5721 3.5721 4.0105 4.0105 4.2316 4.2316 6.1731 6.1731 6.3792 6.3792 7.0895 7.0895 7.5287 7.5287 k = 0.5000 0.1773 0.6446 ( 2074 PWs) bands (ev): -10.9623 -10.9623 -9.8136 -9.8136 -9.6180 -9.6180 -7.3666 -7.3666 -6.9929 -6.9929 -5.8369 -5.8369 -1.0712 -1.0712 -0.6931 -0.6931 -0.1152 -0.1152 0.1774 0.1774 0.4290 0.4290 1.1737 1.1737 1.4614 1.4614 2.9441 2.9441 3.1562 3.1562 3.5759 3.5759 3.9430 3.9430 4.2701 4.2701 6.1607 6.1607 6.3926 6.3926 7.0866 7.0866 7.5476 7.5476 k = 0.5000 0.1576 0.6521 ( 2072 PWs) bands (ev): -10.9595 -10.9595 -9.8136 -9.8136 -9.6217 -9.6217 -7.3676 -7.3676 -7.0070 -7.0070 -5.8167 -5.8167 -1.0632 -1.0632 -0.6990 -0.6990 -0.1183 -0.1183 0.1797 0.1797 0.4323 0.4323 1.1840 1.1840 1.4693 1.4693 2.9120 2.9120 3.1631 3.1631 3.5789 3.5789 3.8723 3.8723 4.3024 4.3024 6.1448 6.1448 6.4059 6.4059 7.0892 7.0892 7.5634 7.5634 k = 0.5000 0.1378 0.6596 ( 2074 PWs) bands (ev): -10.9558 -10.9558 -9.8137 -9.8137 -9.6265 -9.6265 -7.3687 -7.3687 -7.0242 -7.0242 -5.7918 -5.7918 -1.0533 -1.0533 -0.7057 -0.7057 -0.1221 -0.1221 0.1805 0.1805 0.4388 0.4388 1.1960 1.1960 1.4790 1.4790 2.8748 2.8748 3.1706 3.1706 3.5787 3.5787 3.8013 3.8013 4.3292 4.3292 6.1262 6.1262 6.4151 6.4151 7.1013 7.1013 7.5588 7.5588 k = 0.5000 0.1180 0.6671 ( 2076 PWs) bands (ev): -10.9514 -10.9514 -9.8137 -9.8137 -9.6323 -9.6323 -7.3701 -7.3701 -7.0439 -7.0439 -5.7628 -5.7628 -1.0419 -1.0419 -0.7123 -0.7123 -0.1267 -0.1267 0.1787 0.1787 0.4494 0.4494 1.2086 1.2086 1.4901 1.4901 2.8344 2.8344 3.1783 3.1783 3.5708 3.5708 3.7350 3.7350 4.3510 4.3510 6.1059 6.1059 6.4171 6.4171 7.1264 7.1264 7.5337 7.5337 k = 0.5000 0.0983 0.6747 ( 2074 PWs) bands (ev): -10.9463 -10.9463 -9.8137 -9.8137 -9.6390 -9.6390 -7.3717 -7.3717 -7.0655 -7.0655 -5.7304 -5.7304 -1.0296 -1.0296 -0.7179 -0.7179 -0.1321 -0.1321 0.1740 0.1740 0.4648 0.4648 1.2208 1.2208 1.5022 1.5022 2.7927 2.7927 3.1857 3.1857 3.5459 3.5459 3.6830 3.6830 4.3685 4.3685 6.0845 6.0845 6.4102 6.4102 7.1656 7.1656 7.4963 7.4963 k = 0.5000 0.0785 0.6822 ( 2074 PWs) bands (ev): -10.9405 -10.9405 -9.8138 -9.8138 -9.6466 -9.6466 -7.3735 -7.3735 -7.0886 -7.0886 -5.6951 -5.6951 -1.0169 -1.0169 -0.7218 -0.7218 -0.1383 -0.1383 0.1666 0.1666 0.4849 0.4849 1.2316 1.2316 1.5146 1.5146 2.7512 2.7512 3.1923 3.1923 3.4979 3.4979 3.6528 3.6528 4.3826 4.3826 6.0627 6.0627 6.3948 6.3948 7.2171 7.2171 7.4508 7.4508 k = 0.5000 0.0588 0.6897 ( 2076 PWs) bands (ev): -10.9340 -10.9340 -9.8138 -9.8138 -9.6550 -9.6550 -7.3754 -7.3754 -7.1127 -7.1127 -5.6577 -5.6577 -1.0045 -1.0045 -0.7229 -0.7229 -0.1454 -0.1454 0.1570 0.1570 0.5094 0.5094 1.2400 1.2400 1.5266 1.5266 2.7117 2.7117 3.1968 3.1968 3.4362 3.4362 3.6362 3.6362 4.3940 4.3940 6.0411 6.0411 6.3721 6.3721 7.2739 7.2739 7.4040 7.4040 k = 0.5000 0.0390 0.6972 ( 2066 PWs) bands (ev): -10.9270 -10.9270 -9.8138 -9.8138 -9.6641 -9.6641 -7.3775 -7.3775 -7.1372 -7.1372 -5.6187 -5.6187 -0.9931 -0.9931 -0.7203 -0.7203 -0.1535 -0.1535 0.1461 0.1461 0.5375 0.5375 1.2451 1.2451 1.5370 1.5370 2.6761 2.6761 3.1969 3.1969 3.3737 3.3737 3.6237 3.6237 4.4033 4.4033 6.0202 6.0202 6.3445 6.3445 7.2956 7.2956 7.3947 7.3947 k = 0.5000 0.0193 0.7047 ( 2064 PWs) bands (ev): -10.9195 -10.9195 -9.8139 -9.8139 -9.6739 -9.6739 -7.3797 -7.3797 -7.1618 -7.1618 -5.5786 -5.5786 -0.9834 -0.9834 -0.7134 -0.7134 -0.1629 -0.1629 0.1349 0.1349 0.5685 0.5685 1.2461 1.2461 1.5447 1.5447 2.6458 2.6458 3.1872 3.1872 3.3207 3.3207 3.6108 3.6108 4.4112 4.4112 6.0005 6.0005 6.3135 6.3135 7.2470 7.2470 7.4559 7.4559 k = 0.5000-0.0005 0.7122 ( 2062 PWs) bands (ev): -10.9116 -10.9116 -9.8139 -9.8139 -9.6842 -9.6842 -7.3820 -7.3820 -7.1863 -7.1863 -5.5380 -5.5380 -0.9755 -0.9755 -0.7019 -0.7019 -0.1736 -0.1736 0.1243 0.1243 0.6018 0.6018 1.2427 1.2427 1.5481 1.5481 2.6223 2.6223 3.1602 3.1602 3.2871 3.2871 3.5960 3.5960 4.4182 4.4182 5.9824 5.9824 6.2810 6.2810 7.1805 7.1805 7.5333 7.5333 k = 0.5000-0.0202 0.7197 ( 2060 PWs) bands (ev): -10.9033 -10.9033 -9.8140 -9.8140 -9.6949 -9.6949 -7.3843 -7.3843 -7.2102 -7.2102 -5.4973 -5.4973 -0.9694 -0.9694 -0.6860 -0.6860 -0.1859 -0.1859 0.1154 0.1154 0.6367 0.6367 1.2347 1.2347 1.5457 1.5457 2.6068 2.6068 3.1183 3.1183 3.2721 3.2721 3.5786 3.5786 4.4246 4.4246 5.9662 5.9662 6.2481 6.2481 7.1086 7.1086 7.6127 7.6127 k = 0.5000-0.0400 0.7273 ( 2064 PWs) bands (ev): -10.8948 -10.8948 -9.8141 -9.8141 -9.7059 -9.7059 -7.3866 -7.3866 -7.2334 -7.2334 -5.4570 -5.4570 -0.9647 -0.9647 -0.6666 -0.6666 -0.1999 -0.1999 0.1090 0.1090 0.6724 0.6724 1.2223 1.2223 1.5363 1.5363 2.5999 2.5999 3.0726 3.0726 3.2656 3.2656 3.5585 3.5585 4.4308 4.4308 5.9518 5.9518 6.2156 6.2156 7.0341 7.0341 7.6897 7.6897 k = 0.5000-0.0598 0.7348 ( 2060 PWs) bands (ev): -10.8861 -10.8861 -9.8141 -9.8141 -9.7171 -9.7171 -7.3889 -7.3889 -7.2557 -7.2557 -5.4175 -5.4175 -0.9606 -0.9606 -0.6444 -0.6444 -0.2157 -0.2157 0.1060 0.1060 0.7085 0.7085 1.2061 1.2061 1.5190 1.5190 2.6020 2.6020 3.0300 3.0300 3.2612 3.2612 3.5360 3.5360 4.4370 4.4370 5.9394 5.9394 6.1846 6.1846 6.9586 6.9586 7.7614 7.7614 k = 0.5000-0.0795 0.7423 ( 2060 PWs) bands (ev): -10.8773 -10.8773 -9.8142 -9.8142 -9.7284 -9.7284 -7.3912 -7.3912 -7.2768 -7.2768 -5.3791 -5.3791 -0.9567 -0.9567 -0.6208 -0.6208 -0.2334 -0.2334 0.1074 0.1074 0.7441 0.7441 1.1869 1.1869 1.4932 1.4932 2.6126 2.6126 2.9936 2.9936 3.2564 3.2564 3.5111 3.5111 4.4434 4.4434 5.9288 5.9288 6.1555 6.1555 6.8831 6.8831 7.8255 7.8255 k = 0.5000-0.0993 0.7498 ( 2066 PWs) bands (ev): -10.8686 -10.8686 -9.8143 -9.8143 -9.7395 -9.7395 -7.3934 -7.3934 -7.2966 -7.2966 -5.3424 -5.3424 -0.9523 -0.9523 -0.5969 -0.5969 -0.2529 -0.2529 0.1138 0.1138 0.7783 0.7783 1.1659 1.1659 1.4592 1.4592 2.6309 2.6309 2.9643 2.9643 3.2500 3.2500 3.4845 3.4845 4.4499 4.4499 5.9195 5.9195 6.1288 6.1288 6.8091 6.8091 7.8805 7.8805 k = 0.5000-0.1190 0.7573 ( 2070 PWs) bands (ev): -10.8600 -10.8600 -9.8144 -9.8144 -9.7504 -9.7504 -7.3956 -7.3956 -7.3151 -7.3151 -5.3075 -5.3075 -0.9470 -0.9470 -0.5738 -0.5738 -0.2740 -0.2740 0.1258 0.1258 0.8102 0.8102 1.1443 1.1443 1.4178 1.4178 2.6556 2.6556 2.9425 2.9425 3.2416 3.2416 3.4565 3.4565 4.4565 4.4565 5.9113 5.9113 6.1047 6.1047 6.7374 6.7374 7.9259 7.9259 k = 0.5000-0.1388 0.7648 ( 2072 PWs) bands (ev): -10.8518 -10.8518 -9.8145 -9.8145 -9.7608 -9.7608 -7.3976 -7.3976 -7.3320 -7.3320 -5.2749 -5.2749 -0.9406 -0.9406 -0.5525 -0.5525 -0.2962 -0.2962 0.1438 0.1438 0.8386 0.8386 1.1236 1.1236 1.3703 1.3703 2.6852 2.6852 2.9278 2.9278 3.2310 3.2310 3.4279 3.4279 4.4632 4.4632 5.9037 5.9037 6.0836 6.0836 6.6695 6.6695 7.9618 7.9618 k = 0.5000-0.1585 0.7723 ( 2074 PWs) bands (ev): -10.8439 -10.8439 -9.8147 -9.8147 -9.7707 -9.7707 -7.3995 -7.3995 -7.3473 -7.3473 -5.2448 -5.2448 -0.9329 -0.9329 -0.5336 -0.5336 -0.3191 -0.3191 0.1678 0.1678 0.8618 0.8618 1.1049 1.1049 1.3189 1.3189 2.7183 2.7183 2.9196 2.9196 3.2183 3.2183 3.3991 3.3991 4.4698 4.4698 5.8963 5.8963 6.0654 6.0654 6.6064 6.6064 7.9891 7.9891 k = 0.5000-0.1783 0.7798 ( 2082 PWs) bands (ev): -10.8366 -10.8366 -9.8148 -9.8148 -9.7799 -9.7799 -7.4012 -7.4012 -7.3610 -7.3610 -5.2175 -5.2175 -0.9242 -0.9242 -0.5178 -0.5178 -0.3420 -0.3420 0.1977 0.1977 0.8786 0.8786 1.0884 1.0884 1.2665 1.2665 2.7531 2.7531 2.9170 2.9170 3.2037 3.2037 3.3708 3.3708 4.4761 4.4761 5.8888 5.8888 6.0500 6.0500 6.5491 6.5491 8.0091 8.0091 k = 0.5000-0.1980 0.7874 ( 2082 PWs) bands (ev): -10.8299 -10.8299 -9.8150 -9.8150 -9.7881 -9.7881 -7.4028 -7.4028 -7.3729 -7.3729 -5.1934 -5.1934 -0.9144 -0.9144 -0.5056 -0.5056 -0.3640 -0.3640 0.2326 0.2326 0.8880 0.8880 1.0716 1.0716 1.2186 1.2186 2.7882 2.7882 2.9191 2.9191 3.1877 3.1877 3.3437 3.3437 4.4820 4.4820 5.8813 5.8813 6.0372 6.0372 6.4987 6.4987 8.0233 8.0233 k = 0.5000-0.2178 0.7949 ( 2082 PWs) bands (ev): -10.8241 -10.8241 -9.8154 -9.8154 -9.7952 -9.7952 -7.4042 -7.4042 -7.3830 -7.3830 -5.1725 -5.1725 -0.9042 -0.9042 -0.4972 -0.4972 -0.3839 -0.3839 0.2716 0.2716 0.8906 0.8906 1.0477 1.0477 1.1833 1.1833 2.8219 2.8219 2.9249 2.9249 3.1709 3.1709 3.3182 3.3182 4.4873 4.4873 5.8738 5.8738 6.0265 6.0265 6.4560 6.4560 8.0328 8.0328 k = 0.5000-0.2375 0.8024 ( 2086 PWs) bands (ev): -10.8191 -10.8191 -9.8159 -9.8159 -9.8009 -9.8009 -7.4054 -7.4054 -7.3912 -7.3912 -5.1551 -5.1551 -0.8940 -0.8940 -0.4929 -0.4929 -0.4003 -0.4003 0.3127 0.3127 0.8881 0.8881 1.0119 1.0119 1.1659 1.1659 2.8526 2.8526 2.9334 2.9334 3.1540 3.1540 3.2952 3.2952 4.4918 4.4918 5.8667 5.8667 6.0177 6.0177 6.4213 6.4213 8.0390 8.0390 k = 0.5000-0.2573 0.8099 ( 2086 PWs) bands (ev): -10.8151 -10.8151 -9.8166 -9.8166 -9.8052 -9.8052 -7.4066 -7.4066 -7.3975 -7.3975 -5.1414 -5.1414 -0.8846 -0.8846 -0.4926 -0.4926 -0.4122 -0.4122 0.3533 0.3533 0.8820 0.8820 0.9705 0.9705 1.1615 1.1615 2.8784 2.8784 2.9437 2.9437 3.1380 3.1380 3.2755 3.2755 4.4955 4.4955 5.8605 5.8605 6.0106 6.0106 6.3947 6.3947 8.0427 8.0427 k = 0.5000-0.2771 0.8174 ( 2092 PWs) bands (ev): -10.8122 -10.8122 -9.8176 -9.8176 -9.8079 -9.8079 -7.4078 -7.4078 -7.4016 -7.4016 -5.1316 -5.1316 -0.8770 -0.8770 -0.4950 -0.4950 -0.4194 -0.4194 0.3893 0.3893 0.8729 0.8729 0.9345 0.9345 1.1624 1.1624 2.8976 2.8976 2.9545 2.9545 3.1242 3.1242 3.2601 3.2601 4.4982 4.4982 5.8556 5.8556 6.0053 6.0053 6.3761 6.3761 8.0447 8.0447 k = 0.5000-0.2968 0.8249 ( 2100 PWs) bands (ev): -10.8105 -10.8105 -9.8185 -9.8185 -9.8092 -9.8092 -7.4089 -7.4089 -7.4037 -7.4037 -5.1256 -5.1256 -0.8720 -0.8720 -0.4979 -0.4979 -0.4229 -0.4229 0.4152 0.4152 0.8616 0.8616 0.9132 0.9132 1.1642 1.1642 2.9091 2.9091 2.9633 2.9633 3.1145 3.1145 3.2501 3.2501 4.4998 4.4998 5.8524 5.8524 6.0020 6.0020 6.3651 6.3651 8.0457 8.0457 k = 0.5000-0.3166 0.8324 ( 2104 PWs) bands (ev): -10.8099 -10.8099 -9.8188 -9.8188 -9.8096 -9.8096 -7.4094 -7.4094 -7.4043 -7.4043 -5.1236 -5.1236 -0.8703 -0.8703 -0.4991 -0.4991 -0.4240 -0.4240 0.4248 0.4248 0.8558 0.8558 0.9069 0.9069 1.1650 1.1650 2.9129 2.9129 2.9668 2.9668 3.1109 3.1109 3.2467 3.2467 4.5003 4.5003 5.8513 5.8513 6.0008 6.0008 6.3615 6.3615 8.0460 8.0460 Writing output data file Se.save init_run : 0.04s CPU 0.15s WALL ( 1 calls) electrons : 74.06s CPU 75.41s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 74.06s CPU 75.40s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.00s CPU 0.00s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.01s WALL ( 273 calls) cegterg : 68.45s CPU 69.48s WALL ( 293 calls) Called by sum_band: Called by *egterg: h_psi : 40.82s CPU 41.51s WALL ( 5428 calls) s_psi : 0.78s CPU 0.77s WALL ( 5428 calls) g_psi : 0.09s CPU 0.07s WALL ( 4862 calls) cdiaghg : 26.62s CPU 27.10s WALL ( 5135 calls) cegterg:over : 1.98s CPU 2.00s WALL ( 4862 calls) cegterg:upda : 1.33s CPU 1.32s WALL ( 4862 calls) cegterg:last : 0.84s CPU 0.89s WALL ( 839 calls) cdiaghg:chol : 1.30s CPU 1.36s WALL ( 5135 calls) cdiaghg:inve : 0.80s CPU 0.84s WALL ( 5135 calls) cdiaghg:para : 1.54s CPU 1.53s WALL ( 10270 calls) Called by h_psi: h_psi:vloc : 38.38s CPU 39.03s WALL ( 5428 calls) h_psi:vnl : 2.38s CPU 2.43s WALL ( 5428 calls) add_vuspsi : 0.91s CPU 0.95s WALL ( 5428 calls) General routines calbec : 1.46s CPU 1.47s WALL ( 5428 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 36.32s CPU 36.90s WALL ( 474068 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.10s CPU 0.09s WALL ( 546 calls) Parallel routines fft_scatter : 13.12s CPU 13.39s WALL ( 474091 calls) PWSCF : 1m22.22s CPU 1m38.13s WALL This run was terminated on: 21:16:45 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=