Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 18:43:40 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: ./AlBO3.save/ file B.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 54 31 9 1465 639 100 Max 55 32 10 1469 652 102 Sum 1967 1137 329 52807 23251 3633 bravais-lattice index = 14 lattice parameter (alat) = 9.9338 a.u. unit-cell volume = 533.5315 (a.u.)^3 number of atoms/cell = 10 number of atomic types = 3 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 325.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.933832 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.639468 celldm(5)= 0.639468 celldm(6)= 0.639468 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.639468 0.768817 0.000000 ) a(3) = ( 0.639468 0.299874 0.707924 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.831756 -0.550972 ) b(2) = ( 0.000000 1.300699 -0.550972 ) b(3) = ( 0.000000 0.000000 1.412582 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 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 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for B read from file: /users/gautes/Pseudo/B.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e6935728e521ae6844adca162131706c Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1059 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Al read from file: /users/gautes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) B 3.00 10.81100 B( 1.00) Al 3.00 26.98150 Al( 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= 302 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033113 k( 2) = ( 0.0116279 -0.0096716 -0.0064067), wk = 0.0033113 k( 3) = ( 0.0232558 -0.0193432 -0.0128133), wk = 0.0033113 k( 4) = ( 0.0348837 -0.0290147 -0.0192200), wk = 0.0033113 k( 5) = ( 0.0465116 -0.0386863 -0.0256266), wk = 0.0033113 k( 6) = ( 0.0581395 -0.0483579 -0.0320333), wk = 0.0033113 k( 7) = ( 0.0697674 -0.0580295 -0.0384399), wk = 0.0033113 k( 8) = ( 0.0813954 -0.0677010 -0.0448466), wk = 0.0033113 k( 9) = ( 0.0930233 -0.0773726 -0.0512532), wk = 0.0033113 k( 10) = ( 0.1046512 -0.0870442 -0.0576599), wk = 0.0033113 k( 11) = ( 0.1162791 -0.0967158 -0.0640665), wk = 0.0033113 k( 12) = ( 0.1279070 -0.1063874 -0.0704732), wk = 0.0033113 k( 13) = ( 0.1395349 -0.1160589 -0.0768798), wk = 0.0033113 k( 14) = ( 0.1511628 -0.1257305 -0.0832865), wk = 0.0033113 k( 15) = ( 0.1627907 -0.1354021 -0.0896931), wk = 0.0033113 k( 16) = ( 0.1744186 -0.1450737 -0.0960998), wk = 0.0033113 k( 17) = ( 0.1860465 -0.1547452 -0.1025064), wk = 0.0033113 k( 18) = ( 0.1976744 -0.1644168 -0.1089131), wk = 0.0033113 k( 19) = ( 0.2093023 -0.1740884 -0.1153198), wk = 0.0033113 k( 20) = ( 0.2209302 -0.1837600 -0.1217264), wk = 0.0033113 k( 21) = ( 0.2325581 -0.1934316 -0.1281331), wk = 0.0033113 k( 22) = ( 0.2441860 -0.2031031 -0.1345397), wk = 0.0033113 k( 23) = ( 0.2558140 -0.2127747 -0.1409464), wk = 0.0033113 k( 24) = ( 0.2674419 -0.2224463 -0.1473530), wk = 0.0033113 k( 25) = ( 0.2790698 -0.2321179 -0.1537597), wk = 0.0033113 k( 26) = ( 0.2906977 -0.2417894 -0.1601663), wk = 0.0033113 k( 27) = ( 0.3023256 -0.2514610 -0.1665730), wk = 0.0033113 k( 28) = ( 0.3139535 -0.2611326 -0.1729796), wk = 0.0033113 k( 29) = ( 0.3255814 -0.2708042 -0.1793863), wk = 0.0033113 k( 30) = ( 0.3372093 -0.2804757 -0.1857929), wk = 0.0033113 k( 31) = ( 0.3488372 -0.2901473 -0.1921996), wk = 0.0033113 k( 32) = ( 0.3604651 -0.2998189 -0.1986062), wk = 0.0033113 k( 33) = ( 0.3720930 -0.3094905 -0.2050129), wk = 0.0033113 k( 34) = ( 0.3837209 -0.3191621 -0.2114195), wk = 0.0033113 k( 35) = ( 0.3953488 -0.3288336 -0.2178262), wk = 0.0033113 k( 36) = ( 0.4069767 -0.3385052 -0.2242329), wk = 0.0033113 k( 37) = ( 0.4186047 -0.3481768 -0.2306395), wk = 0.0033113 k( 38) = ( 0.4302326 -0.3578484 -0.2370462), wk = 0.0033113 k( 39) = ( 0.4418605 -0.3675200 -0.2434528), wk = 0.0033113 k( 40) = ( 0.4534884 -0.3771915 -0.2498595), wk = 0.0033113 k( 41) = ( 0.4651163 -0.3868631 -0.2562661), wk = 0.0033113 k( 42) = ( 0.4767442 -0.3965347 -0.2626728), wk = 0.0033113 k( 43) = ( 0.4883721 -0.4062063 -0.2690794), wk = 0.0033113 k( 44) = ( 0.5000000 -0.4158778 -0.2754861), wk = 0.0033113 k( 45) = ( 0.5000000 -0.4158778 -0.2754861), wk = 0.0033113 k( 46) = ( 0.5000000 -0.4066722 -0.2893830), wk = 0.0033113 k( 47) = ( 0.5000000 -0.3974666 -0.3032800), wk = 0.0033113 k( 48) = ( 0.5000000 -0.3882610 -0.3171769), wk = 0.0033113 k( 49) = ( 0.5000000 -0.3790554 -0.3310738), wk = 0.0033113 k( 50) = ( 0.5000000 -0.3698498 -0.3449707), wk = 0.0033113 k( 51) = ( 0.5000000 -0.3606441 -0.3588677), wk = 0.0033113 k( 52) = ( 0.5000000 -0.3514385 -0.3727646), wk = 0.0033113 k( 53) = ( 0.5000000 -0.3422329 -0.3866615), wk = 0.0033113 k( 54) = ( 0.5000000 -0.3330273 -0.4005585), wk = 0.0033113 k( 55) = ( 0.5000000 -0.3238217 -0.4144554), wk = 0.0033113 k( 56) = ( 0.5000000 -0.3146161 -0.4283523), wk = 0.0033113 k( 57) = ( 0.5000000 -0.3054104 -0.4422493), wk = 0.0033113 k( 58) = ( 0.5000000 -0.2962048 -0.4561462), wk = 0.0033113 k( 59) = ( 0.5000000 -0.2869992 -0.4700431), wk = 0.0033113 k( 60) = ( 0.5000000 -0.2777936 -0.4839401), wk = 0.0033113 k( 61) = ( 0.5000000 -0.2685880 -0.4978370), wk = 0.0033113 k( 62) = ( 0.5000000 -0.2593824 -0.5117339), wk = 0.0033113 k( 63) = ( 0.5000000 -0.2501768 -0.5256309), wk = 0.0033113 k( 64) = ( 0.5000000 -0.2409711 -0.5395278), wk = 0.0033113 k( 65) = ( 0.5000000 -0.2317655 -0.5534247), wk = 0.0033113 k( 66) = ( 0.5000000 -0.2225599 -0.5673217), wk = 0.0033113 k( 67) = ( 0.5000000 -0.2133543 -0.5812186), wk = 0.0033113 k( 68) = ( 0.5000000 -0.2041487 -0.5951155), wk = 0.0033113 k( 69) = ( 0.5000000 -0.1949431 -0.6090125), wk = 0.0033113 k( 70) = ( 0.5000000 -0.1857374 -0.6229094), wk = 0.0033113 k( 71) = ( 0.5000000 -0.1765318 -0.6368063), wk = 0.0033113 k( 72) = ( 0.5000000 -0.1673262 -0.6507032), wk = 0.0033113 k( 73) = ( 0.5000000 -0.1581206 -0.6646002), wk = 0.0033113 k( 74) = ( 0.5000000 -0.1489150 -0.6784971), wk = 0.0033113 k( 75) = ( 0.5000000 -0.1397094 -0.6923941), wk = 0.0033113 k( 76) = ( 0.5000000 -0.1305038 -0.7062910), wk = 0.0033113 k( 77) = ( 0.7805994 0.0010814 -0.3956533), wk = 0.0033113 k( 78) = ( 0.7735844 0.0069162 -0.3818790), wk = 0.0033113 k( 79) = ( 0.7665694 0.0127509 -0.3681047), wk = 0.0033113 k( 80) = ( 0.7595545 0.0185857 -0.3543304), wk = 0.0033113 k( 81) = ( 0.7525395 0.0244204 -0.3405561), wk = 0.0033113 k( 82) = ( 0.7455245 0.0302552 -0.3267818), wk = 0.0033113 k( 83) = ( 0.7385095 0.0360900 -0.3130075), wk = 0.0033113 k( 84) = ( 0.7314945 0.0419247 -0.2992332), wk = 0.0033113 k( 85) = ( 0.7244795 0.0477595 -0.2854589), wk = 0.0033113 k( 86) = ( 0.7174645 0.0535942 -0.2716846), wk = 0.0033113 k( 87) = ( 0.7104496 0.0594290 -0.2579103), wk = 0.0033113 k( 88) = ( 0.7034346 0.0652637 -0.2441360), wk = 0.0033113 k( 89) = ( 0.6964196 0.0710985 -0.2303617), wk = 0.0033113 k( 90) = ( 0.6894046 0.0769332 -0.2165874), wk = 0.0033113 k( 91) = ( 0.6823896 0.0827680 -0.2028131), wk = 0.0033113 k( 92) = ( 0.6753746 0.0886027 -0.1890388), wk = 0.0033113 k( 93) = ( 0.6683596 0.0944375 -0.1752645), wk = 0.0033113 k( 94) = ( 0.6613447 0.1002722 -0.1614902), wk = 0.0033113 k( 95) = ( 0.6543297 0.1061070 -0.1477159), wk = 0.0033113 k( 96) = ( 0.6473147 0.1119418 -0.1339416), wk = 0.0033113 k( 97) = ( 0.6402997 0.1177765 -0.1201672), wk = 0.0033113 k( 98) = ( 0.6332847 0.1236113 -0.1063930), wk = 0.0033113 k( 99) = ( 0.6262697 0.1294460 -0.0926186), wk = 0.0033113 k( 100) = ( 0.6192548 0.1352808 -0.0788443), wk = 0.0033113 k( 101) = ( 0.6122398 0.1411155 -0.0650700), wk = 0.0033113 k( 102) = ( 0.6052248 0.1469503 -0.0512957), wk = 0.0033113 k( 103) = ( 0.5982098 0.1527850 -0.0375214), wk = 0.0033113 k( 104) = ( 0.5911948 0.1586198 -0.0237471), wk = 0.0033113 k( 105) = ( 0.5841798 0.1644545 -0.0099728), wk = 0.0033113 k( 106) = ( 0.5771648 0.1702893 0.0038015), wk = 0.0033113 k( 107) = ( 0.5701499 0.1761240 0.0175758), wk = 0.0033113 k( 108) = ( 0.5631349 0.1819588 0.0313501), wk = 0.0033113 k( 109) = ( 0.5561199 0.1877936 0.0451244), wk = 0.0033113 k( 110) = ( 0.5491049 0.1936283 0.0588987), wk = 0.0033113 k( 111) = ( 0.5420899 0.1994631 0.0726730), wk = 0.0033113 k( 112) = ( 0.5350749 0.2052978 0.0864473), wk = 0.0033113 k( 113) = ( 0.5280599 0.2111326 0.1002216), wk = 0.0033113 k( 114) = ( 0.5210450 0.2169673 0.1139959), wk = 0.0033113 k( 115) = ( 0.5140300 0.2228021 0.1277702), wk = 0.0033113 k( 116) = ( 0.5070150 0.2286368 0.1415445), wk = 0.0033113 k( 117) = ( 0.5000000 0.2344716 0.1553188), wk = 0.0033113 k( 118) = ( 0.5000000 0.2344716 0.1553188), wk = 0.0033113 k( 119) = ( 0.4857143 0.2277724 0.1508811), wk = 0.0033113 k( 120) = ( 0.4714286 0.2210732 0.1464435), wk = 0.0033113 k( 121) = ( 0.4571429 0.2143740 0.1420058), wk = 0.0033113 k( 122) = ( 0.4428571 0.2076748 0.1375681), wk = 0.0033113 k( 123) = ( 0.4285714 0.2009756 0.1331304), wk = 0.0033113 k( 124) = ( 0.4142857 0.1942765 0.1286927), wk = 0.0033113 k( 125) = ( 0.4000000 0.1875773 0.1242551), wk = 0.0033113 k( 126) = ( 0.3857143 0.1808781 0.1198174), wk = 0.0033113 k( 127) = ( 0.3714286 0.1741789 0.1153797), wk = 0.0033113 k( 128) = ( 0.3571429 0.1674797 0.1109420), wk = 0.0033113 k( 129) = ( 0.3428571 0.1607805 0.1065043), wk = 0.0033113 k( 130) = ( 0.3285714 0.1540813 0.1020667), wk = 0.0033113 k( 131) = ( 0.3142857 0.1473821 0.0976290), wk = 0.0033113 k( 132) = ( 0.3000000 0.1406830 0.0931913), wk = 0.0033113 k( 133) = ( 0.2857143 0.1339838 0.0887536), wk = 0.0033113 k( 134) = ( 0.2714286 0.1272846 0.0843159), wk = 0.0033113 k( 135) = ( 0.2571429 0.1205854 0.0798783), wk = 0.0033113 k( 136) = ( 0.2428571 0.1138862 0.0754406), wk = 0.0033113 k( 137) = ( 0.2285714 0.1071870 0.0710029), wk = 0.0033113 k( 138) = ( 0.2142857 0.1004878 0.0665652), wk = 0.0033113 k( 139) = ( 0.2000000 0.0937886 0.0621275), wk = 0.0033113 k( 140) = ( 0.1857143 0.0870894 0.0576899), wk = 0.0033113 k( 141) = ( 0.1714286 0.0803903 0.0532522), wk = 0.0033113 k( 142) = ( 0.1571429 0.0736911 0.0488145), wk = 0.0033113 k( 143) = ( 0.1428571 0.0669919 0.0443768), wk = 0.0033113 k( 144) = ( 0.1285714 0.0602927 0.0399391), wk = 0.0033113 k( 145) = ( 0.1142857 0.0535935 0.0355014), wk = 0.0033113 k( 146) = ( 0.1000000 0.0468943 0.0310638), wk = 0.0033113 k( 147) = ( 0.0857143 0.0401951 0.0266261), wk = 0.0033113 k( 148) = ( 0.0714286 0.0334959 0.0221884), wk = 0.0033113 k( 149) = ( 0.0571429 0.0267968 0.0177507), wk = 0.0033113 k( 150) = ( 0.0428571 0.0200976 0.0133130), wk = 0.0033113 k( 151) = ( 0.0285714 0.0133984 0.0088754), wk = 0.0033113 k( 152) = ( 0.0142857 0.0066992 0.0044377), wk = 0.0033113 k( 153) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033113 k( 154) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033113 k( 155) = ( 0.0070529 -0.0058663 -0.0138488), wk = 0.0033113 k( 156) = ( 0.0141059 -0.0117327 -0.0276977), wk = 0.0033113 k( 157) = ( 0.0211588 -0.0175990 -0.0415465), wk = 0.0033113 k( 158) = ( 0.0282118 -0.0234653 -0.0553954), wk = 0.0033113 k( 159) = ( 0.0352647 -0.0293316 -0.0692442), wk = 0.0033113 k( 160) = ( 0.0423177 -0.0351980 -0.0830931), wk = 0.0033113 k( 161) = ( 0.0493706 -0.0410643 -0.0969419), wk = 0.0033113 k( 162) = ( 0.0564236 -0.0469306 -0.1107907), wk = 0.0033113 k( 163) = ( 0.0634765 -0.0527970 -0.1246396), wk = 0.0033113 k( 164) = ( 0.0705295 -0.0586633 -0.1384884), wk = 0.0033113 k( 165) = ( 0.0775824 -0.0645296 -0.1523373), wk = 0.0033113 k( 166) = ( 0.0846354 -0.0703959 -0.1661861), wk = 0.0033113 k( 167) = ( 0.0916883 -0.0762623 -0.1800350), wk = 0.0033113 k( 168) = ( 0.0987413 -0.0821286 -0.1938838), wk = 0.0033113 k( 169) = ( 0.1057942 -0.0879949 -0.2077326), wk = 0.0033113 k( 170) = ( 0.1128471 -0.0938613 -0.2215815), wk = 0.0033113 k( 171) = ( 0.1199001 -0.0997276 -0.2354303), wk = 0.0033113 k( 172) = ( 0.1269530 -0.1055939 -0.2492792), wk = 0.0033113 k( 173) = ( 0.1340060 -0.1114602 -0.2631280), wk = 0.0033113 k( 174) = ( 0.1410589 -0.1173266 -0.2769769), wk = 0.0033113 k( 175) = ( 0.1481119 -0.1231929 -0.2908257), wk = 0.0033113 k( 176) = ( 0.1551648 -0.1290592 -0.3046745), wk = 0.0033113 k( 177) = ( 0.1622178 -0.1349256 -0.3185234), wk = 0.0033113 k( 178) = ( 0.1692707 -0.1407919 -0.3323722), wk = 0.0033113 k( 179) = ( 0.1763237 -0.1466582 -0.3462211), wk = 0.0033113 k( 180) = ( 0.1833766 -0.1525245 -0.3600699), wk = 0.0033113 k( 181) = ( 0.1904296 -0.1583909 -0.3739187), wk = 0.0033113 k( 182) = ( 0.1974825 -0.1642572 -0.3877676), wk = 0.0033113 k( 183) = ( 0.2045355 -0.1701235 -0.4016164), wk = 0.0033113 k( 184) = ( 0.2115884 -0.1759899 -0.4154653), wk = 0.0033113 k( 185) = ( 0.2186414 -0.1818562 -0.4293141), wk = 0.0033113 k( 186) = ( 0.2256943 -0.1877225 -0.4431630), wk = 0.0033113 k( 187) = ( 0.2327472 -0.1935888 -0.4570118), wk = 0.0033113 k( 188) = ( 0.2398002 -0.1994552 -0.4708607), wk = 0.0033113 k( 189) = ( 0.2468531 -0.2053215 -0.4847095), wk = 0.0033113 k( 190) = ( 0.2539061 -0.2111878 -0.4985583), wk = 0.0033113 k( 191) = ( 0.2609590 -0.2170542 -0.5124072), wk = 0.0033113 k( 192) = ( 0.2680120 -0.2229205 -0.5262560), wk = 0.0033113 k( 193) = ( 0.2750649 -0.2287868 -0.5401049), wk = 0.0033113 k( 194) = ( 0.2821179 -0.2346531 -0.5539537), wk = 0.0033113 k( 195) = ( 0.2891708 -0.2405195 -0.5678026), wk = 0.0033113 k( 196) = ( 0.2962238 -0.2463858 -0.5816514), wk = 0.0033113 k( 197) = ( 0.3032767 -0.2522521 -0.5955002), wk = 0.0033113 k( 198) = ( 0.3103297 -0.2581185 -0.6093491), wk = 0.0033113 k( 199) = ( 0.3173826 -0.2639848 -0.6231979), wk = 0.0033113 k( 200) = ( 0.3244356 -0.2698511 -0.6370468), wk = 0.0033113 k( 201) = ( 0.3314885 -0.2757174 -0.6508956), wk = 0.0033113 k( 202) = ( 0.3385415 -0.2815838 -0.6647445), wk = 0.0033113 k( 203) = ( 0.3455944 -0.2874501 -0.6785933), wk = 0.0033113 k( 204) = ( 0.3526473 -0.2933164 -0.6924421), wk = 0.0033113 k( 205) = ( 0.3597003 -0.2991828 -0.7062910), wk = 0.0033113 k( 206) = ( 0.6402997 -0.0647112 -0.5509722), wk = 0.0033113 k( 207) = ( 0.6332847 -0.0497520 -0.5509722), wk = 0.0033113 k( 208) = ( 0.6262697 -0.0347929 -0.5509722), wk = 0.0033113 k( 209) = ( 0.6192548 -0.0198338 -0.5509722), wk = 0.0033113 k( 210) = ( 0.6122398 -0.0048746 -0.5509722), wk = 0.0033113 k( 211) = ( 0.6052248 0.0100845 -0.5509722), wk = 0.0033113 k( 212) = ( 0.5982098 0.0250437 -0.5509722), wk = 0.0033113 k( 213) = ( 0.5911948 0.0400028 -0.5509722), wk = 0.0033113 k( 214) = ( 0.5841798 0.0549619 -0.5509722), wk = 0.0033113 k( 215) = ( 0.5771648 0.0699211 -0.5509722), wk = 0.0033113 k( 216) = ( 0.5701499 0.0848802 -0.5509722), wk = 0.0033113 k( 217) = ( 0.5631349 0.0998394 -0.5509722), wk = 0.0033113 k( 218) = ( 0.5561199 0.1147985 -0.5509722), wk = 0.0033113 k( 219) = ( 0.5491049 0.1297576 -0.5509722), wk = 0.0033113 k( 220) = ( 0.5420899 0.1447168 -0.5509722), wk = 0.0033113 k( 221) = ( 0.5350749 0.1596759 -0.5509722), wk = 0.0033113 k( 222) = ( 0.5280599 0.1746350 -0.5509722), wk = 0.0033113 k( 223) = ( 0.5210450 0.1895942 -0.5509722), wk = 0.0033113 k( 224) = ( 0.5140300 0.2045533 -0.5509722), wk = 0.0033113 k( 225) = ( 0.5070150 0.2195124 -0.5509722), wk = 0.0033113 k( 226) = ( 0.5000000 0.2344716 -0.5509722), wk = 0.0033113 k( 227) = ( 0.5000000 0.2344716 -0.5509722), wk = 0.0033113 k( 228) = ( 0.5100214 0.2391711 -0.5398780), wk = 0.0033113 k( 229) = ( 0.5200428 0.2438705 -0.5287838), wk = 0.0033113 k( 230) = ( 0.5300642 0.2485700 -0.5176895), wk = 0.0033113 k( 231) = ( 0.5400856 0.2532695 -0.5065953), wk = 0.0033113 k( 232) = ( 0.5501070 0.2579689 -0.4955011), wk = 0.0033113 k( 233) = ( 0.5601284 0.2626684 -0.4844069), wk = 0.0033113 k( 234) = ( 0.5701499 0.2673679 -0.4733127), wk = 0.0033113 k( 235) = ( 0.5801713 0.2720674 -0.4622185), wk = 0.0033113 k( 236) = ( 0.5901927 0.2767668 -0.4511243), wk = 0.0033113 k( 237) = ( 0.6002141 0.2814663 -0.4400301), wk = 0.0033113 k( 238) = ( 0.6102355 0.2861658 -0.4289359), wk = 0.0033113 k( 239) = ( 0.6202569 0.2908652 -0.4178417), wk = 0.0033113 k( 240) = ( 0.6302783 0.2955647 -0.4067475), wk = 0.0033113 k( 241) = ( 0.6402997 0.3002642 -0.3956533), wk = 0.0033113 k( 242) = ( 0.6402997 0.3002642 -0.3956533), wk = 0.0033113 k( 243) = ( 0.6362912 0.2983844 -0.3799113), wk = 0.0033113 k( 244) = ( 0.6322826 0.2965046 -0.3641692), wk = 0.0033113 k( 245) = ( 0.6282740 0.2946248 -0.3484271), wk = 0.0033113 k( 246) = ( 0.6242655 0.2927450 -0.3326851), wk = 0.0033113 k( 247) = ( 0.6202569 0.2908652 -0.3169430), wk = 0.0033113 k( 248) = ( 0.6162483 0.2889855 -0.3012010), wk = 0.0033113 k( 249) = ( 0.6122398 0.2871057 -0.2854589), wk = 0.0033113 k( 250) = ( 0.6082312 0.2852259 -0.2697168), wk = 0.0033113 k( 251) = ( 0.6042226 0.2833461 -0.2539748), wk = 0.0033113 k( 252) = ( 0.6002141 0.2814663 -0.2382327), wk = 0.0033113 k( 253) = ( 0.5962055 0.2795865 -0.2224906), wk = 0.0033113 k( 254) = ( 0.5921970 0.2777067 -0.2067486), wk = 0.0033113 k( 255) = ( 0.5881884 0.2758269 -0.1910065), wk = 0.0033113 k( 256) = ( 0.5841798 0.2739471 -0.1752645), wk = 0.0033113 k( 257) = ( 0.5801713 0.2720674 -0.1595224), wk = 0.0033113 k( 258) = ( 0.5761627 0.2701876 -0.1437803), wk = 0.0033113 k( 259) = ( 0.5721541 0.2683078 -0.1280383), wk = 0.0033113 k( 260) = ( 0.5681456 0.2664280 -0.1122962), wk = 0.0033113 k( 261) = ( 0.5641370 0.2645482 -0.0965542), wk = 0.0033113 k( 262) = ( 0.5601284 0.2626684 -0.0808121), wk = 0.0033113 k( 263) = ( 0.5561199 0.2607886 -0.0650700), wk = 0.0033113 k( 264) = ( 0.5521113 0.2589088 -0.0493280), wk = 0.0033113 k( 265) = ( 0.5481028 0.2570291 -0.0335859), wk = 0.0033113 k( 266) = ( 0.5440942 0.2551493 -0.0178439), wk = 0.0033113 k( 267) = ( 0.5400856 0.2532695 -0.0021018), wk = 0.0033113 k( 268) = ( 0.5360771 0.2513897 0.0136403), wk = 0.0033113 k( 269) = ( 0.5320685 0.2495099 0.0293823), wk = 0.0033113 k( 270) = ( 0.5280599 0.2476301 0.0451244), wk = 0.0033113 k( 271) = ( 0.5240514 0.2457503 0.0608665), wk = 0.0033113 k( 272) = ( 0.5200428 0.2438705 0.0766085), wk = 0.0033113 k( 273) = ( 0.5160343 0.2419907 0.0923506), wk = 0.0033113 k( 274) = ( 0.5120257 0.2401110 0.1080926), wk = 0.0033113 k( 275) = ( 0.5080171 0.2382312 0.1238347), wk = 0.0033113 k( 276) = ( 0.5040086 0.2363514 0.1395768), wk = 0.0033113 k( 277) = ( 0.5000000 0.2344716 0.1553188), wk = 0.0033113 k( 278) = ( 0.5000000 -0.4158778 -0.2754861), wk = 0.0033113 k( 279) = ( 0.5116916 -0.4061082 -0.2690145), wk = 0.0033113 k( 280) = ( 0.5233833 -0.3963385 -0.2625428), wk = 0.0033113 k( 281) = ( 0.5350749 -0.3865689 -0.2560712), wk = 0.0033113 k( 282) = ( 0.5467666 -0.3767992 -0.2495996), wk = 0.0033113 k( 283) = ( 0.5584582 -0.3670296 -0.2431280), wk = 0.0033113 k( 284) = ( 0.5701499 -0.3572599 -0.2366564), wk = 0.0033113 k( 285) = ( 0.5818415 -0.3474903 -0.2301848), wk = 0.0033113 k( 286) = ( 0.5935331 -0.3377206 -0.2237131), wk = 0.0033113 k( 287) = ( 0.6052248 -0.3279510 -0.2172415), wk = 0.0033113 k( 288) = ( 0.6169164 -0.3181813 -0.2107699), wk = 0.0033113 k( 289) = ( 0.6286081 -0.3084117 -0.2042983), wk = 0.0033113 k( 290) = ( 0.6402997 -0.2986420 -0.1978267), wk = 0.0033113 k( 291) = ( 0.6519913 -0.2888724 -0.1913550), wk = 0.0033113 k( 292) = ( 0.6636830 -0.2791027 -0.1848834), wk = 0.0033113 k( 293) = ( 0.6753746 -0.2693331 -0.1784118), wk = 0.0033113 k( 294) = ( 0.6870663 -0.2595634 -0.1719402), wk = 0.0033113 k( 295) = ( 0.6987579 -0.2497938 -0.1654686), wk = 0.0033113 k( 296) = ( 0.7104496 -0.2400241 -0.1589970), wk = 0.0033113 k( 297) = ( 0.7221412 -0.2302545 -0.1525253), wk = 0.0033113 k( 298) = ( 0.7338328 -0.2204848 -0.1460537), wk = 0.0033113 k( 299) = ( 0.7455245 -0.2107152 -0.1395821), wk = 0.0033113 k( 300) = ( 0.7572161 -0.2009456 -0.1331105), wk = 0.0033113 k( 301) = ( 0.7689078 -0.1911759 -0.1266389), wk = 0.0033113 k( 302) = ( 0.7805994 -0.1814062 -0.1201672), wk = 0.0033113 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033113 k( 2) = ( 0.0116279 0.0000000 0.0000000), wk = 0.0033113 k( 3) = ( 0.0232558 0.0000000 0.0000000), wk = 0.0033113 k( 4) = ( 0.0348837 0.0000000 0.0000000), wk = 0.0033113 k( 5) = ( 0.0465116 0.0000000 0.0000000), wk = 0.0033113 k( 6) = ( 0.0581395 0.0000000 0.0000000), wk = 0.0033113 k( 7) = ( 0.0697674 0.0000000 0.0000000), wk = 0.0033113 k( 8) = ( 0.0813954 0.0000000 0.0000000), wk = 0.0033113 k( 9) = ( 0.0930233 0.0000000 0.0000000), wk = 0.0033113 k( 10) = ( 0.1046512 0.0000000 0.0000000), wk = 0.0033113 k( 11) = ( 0.1162791 0.0000000 0.0000000), wk = 0.0033113 k( 12) = ( 0.1279070 0.0000000 0.0000000), wk = 0.0033113 k( 13) = ( 0.1395349 0.0000000 0.0000000), wk = 0.0033113 k( 14) = ( 0.1511628 0.0000000 0.0000000), wk = 0.0033113 k( 15) = ( 0.1627907 0.0000000 0.0000000), wk = 0.0033113 k( 16) = ( 0.1744186 0.0000000 0.0000000), wk = 0.0033113 k( 17) = ( 0.1860465 0.0000000 0.0000000), wk = 0.0033113 k( 18) = ( 0.1976744 0.0000000 0.0000000), wk = 0.0033113 k( 19) = ( 0.2093023 0.0000000 -0.0000000), wk = 0.0033113 k( 20) = ( 0.2209302 0.0000000 0.0000000), wk = 0.0033113 k( 21) = ( 0.2325581 0.0000000 0.0000000), wk = 0.0033113 k( 22) = ( 0.2441860 0.0000000 0.0000000), wk = 0.0033113 k( 23) = ( 0.2558140 0.0000000 0.0000000), wk = 0.0033113 k( 24) = ( 0.2674419 0.0000000 0.0000000), wk = 0.0033113 k( 25) = ( 0.2790698 0.0000000 0.0000000), wk = 0.0033113 k( 26) = ( 0.2906977 0.0000000 0.0000000), wk = 0.0033113 k( 27) = ( 0.3023256 0.0000000 0.0000000), wk = 0.0033113 k( 28) = ( 0.3139535 0.0000000 0.0000000), wk = 0.0033113 k( 29) = ( 0.3255814 0.0000000 0.0000000), wk = 0.0033113 k( 30) = ( 0.3372093 0.0000000 0.0000000), wk = 0.0033113 k( 31) = ( 0.3488372 0.0000000 0.0000000), wk = 0.0033113 k( 32) = ( 0.3604651 0.0000000 0.0000000), wk = 0.0033113 k( 33) = ( 0.3720930 0.0000000 0.0000000), wk = 0.0033113 k( 34) = ( 0.3837209 0.0000000 0.0000000), wk = 0.0033113 k( 35) = ( 0.3953488 0.0000000 0.0000000), wk = 0.0033113 k( 36) = ( 0.4069767 0.0000000 0.0000000), wk = 0.0033113 k( 37) = ( 0.4186047 0.0000000 0.0000000), wk = 0.0033113 k( 38) = ( 0.4302326 0.0000000 0.0000000), wk = 0.0033113 k( 39) = ( 0.4418605 0.0000000 0.0000000), wk = 0.0033113 k( 40) = ( 0.4534884 0.0000000 0.0000000), wk = 0.0033113 k( 41) = ( 0.4651163 0.0000000 0.0000000), wk = 0.0033113 k( 42) = ( 0.4767442 -0.0000000 0.0000000), wk = 0.0033113 k( 43) = ( 0.4883721 0.0000000 0.0000000), wk = 0.0033113 k( 44) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0033113 k( 45) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0033113 k( 46) = ( 0.5000000 0.0070774 -0.0070774), wk = 0.0033113 k( 47) = ( 0.5000000 0.0141549 -0.0141549), wk = 0.0033113 k( 48) = ( 0.5000000 0.0212323 -0.0212323), wk = 0.0033113 k( 49) = ( 0.5000000 0.0283098 -0.0283097), wk = 0.0033113 k( 50) = ( 0.5000000 0.0353872 -0.0353872), wk = 0.0033113 k( 51) = ( 0.5000000 0.0424646 -0.0424646), wk = 0.0033113 k( 52) = ( 0.5000000 0.0495421 -0.0495421), wk = 0.0033113 k( 53) = ( 0.5000000 0.0566195 -0.0566195), wk = 0.0033113 k( 54) = ( 0.5000000 0.0636969 -0.0636969), wk = 0.0033113 k( 55) = ( 0.5000000 0.0707744 -0.0707744), wk = 0.0033113 k( 56) = ( 0.5000000 0.0778518 -0.0778518), wk = 0.0033113 k( 57) = ( 0.5000000 0.0849293 -0.0849293), wk = 0.0033113 k( 58) = ( 0.5000000 0.0920067 -0.0920067), wk = 0.0033113 k( 59) = ( 0.5000000 0.0990841 -0.0990841), wk = 0.0033113 k( 60) = ( 0.5000000 0.1061616 -0.1061616), wk = 0.0033113 k( 61) = ( 0.5000000 0.1132390 -0.1132390), wk = 0.0033113 k( 62) = ( 0.5000000 0.1203165 -0.1203164), wk = 0.0033113 k( 63) = ( 0.5000000 0.1273939 -0.1273939), wk = 0.0033113 k( 64) = ( 0.5000000 0.1344713 -0.1344713), wk = 0.0033113 k( 65) = ( 0.5000000 0.1415488 -0.1415488), wk = 0.0033113 k( 66) = ( 0.5000000 0.1486262 -0.1486262), wk = 0.0033113 k( 67) = ( 0.5000000 0.1557036 -0.1557036), wk = 0.0033113 k( 68) = ( 0.5000000 0.1627811 -0.1627811), wk = 0.0033113 k( 69) = ( 0.5000000 0.1698585 -0.1698585), wk = 0.0033113 k( 70) = ( 0.5000000 0.1769360 -0.1769359), wk = 0.0033113 k( 71) = ( 0.5000000 0.1840134 -0.1840134), wk = 0.0033113 k( 72) = ( 0.5000000 0.1910908 -0.1910908), wk = 0.0033113 k( 73) = ( 0.5000000 0.1981683 -0.1981683), wk = 0.0033113 k( 74) = ( 0.5000000 0.2052457 -0.2052457), wk = 0.0033113 k( 75) = ( 0.5000000 0.2123231 -0.2123231), wk = 0.0033113 k( 76) = ( 0.5000000 0.2194006 -0.2194006), wk = 0.0033113 k( 77) = ( 0.7805994 0.5000000 0.2194006), wk = 0.0033113 k( 78) = ( 0.7735844 0.5000000 0.2264156), wk = 0.0033113 k( 79) = ( 0.7665694 0.5000000 0.2334306), wk = 0.0033113 k( 80) = ( 0.7595545 0.5000000 0.2404455), wk = 0.0033113 k( 81) = ( 0.7525395 0.5000000 0.2474605), wk = 0.0033113 k( 82) = ( 0.7455245 0.5000000 0.2544755), wk = 0.0033113 k( 83) = ( 0.7385095 0.5000000 0.2614905), wk = 0.0033113 k( 84) = ( 0.7314945 0.5000000 0.2685055), wk = 0.0033113 k( 85) = ( 0.7244795 0.5000000 0.2755205), wk = 0.0033113 k( 86) = ( 0.7174645 0.5000000 0.2825355), wk = 0.0033113 k( 87) = ( 0.7104496 0.5000000 0.2895504), wk = 0.0033113 k( 88) = ( 0.7034346 0.5000000 0.2965654), wk = 0.0033113 k( 89) = ( 0.6964196 0.5000000 0.3035804), wk = 0.0033113 k( 90) = ( 0.6894046 0.5000000 0.3105954), wk = 0.0033113 k( 91) = ( 0.6823896 0.5000000 0.3176104), wk = 0.0033113 k( 92) = ( 0.6753746 0.5000000 0.3246254), wk = 0.0033113 k( 93) = ( 0.6683596 0.5000000 0.3316403), wk = 0.0033113 k( 94) = ( 0.6613447 0.5000000 0.3386553), wk = 0.0033113 k( 95) = ( 0.6543297 0.5000000 0.3456703), wk = 0.0033113 k( 96) = ( 0.6473147 0.5000000 0.3526853), wk = 0.0033113 k( 97) = ( 0.6402997 0.5000000 0.3597003), wk = 0.0033113 k( 98) = ( 0.6332847 0.5000000 0.3667153), wk = 0.0033113 k( 99) = ( 0.6262697 0.5000000 0.3737303), wk = 0.0033113 k( 100) = ( 0.6192548 0.5000000 0.3807452), wk = 0.0033113 k( 101) = ( 0.6122398 0.5000000 0.3877602), wk = 0.0033113 k( 102) = ( 0.6052248 0.5000000 0.3947752), wk = 0.0033113 k( 103) = ( 0.5982098 0.5000000 0.4017902), wk = 0.0033113 k( 104) = ( 0.5911948 0.5000000 0.4088052), wk = 0.0033113 k( 105) = ( 0.5841798 0.5000000 0.4158202), wk = 0.0033113 k( 106) = ( 0.5771648 0.5000000 0.4228352), wk = 0.0033113 k( 107) = ( 0.5701499 0.5000000 0.4298501), wk = 0.0033113 k( 108) = ( 0.5631349 0.5000000 0.4368651), wk = 0.0033113 k( 109) = ( 0.5561199 0.5000000 0.4438801), wk = 0.0033113 k( 110) = ( 0.5491049 0.5000000 0.4508951), wk = 0.0033113 k( 111) = ( 0.5420899 0.5000000 0.4579101), wk = 0.0033113 k( 112) = ( 0.5350749 0.5000000 0.4649251), wk = 0.0033113 k( 113) = ( 0.5280599 0.5000000 0.4719401), wk = 0.0033113 k( 114) = ( 0.5210450 0.5000000 0.4789550), wk = 0.0033113 k( 115) = ( 0.5140300 0.5000000 0.4859700), wk = 0.0033113 k( 116) = ( 0.5070150 0.5000000 0.4929850), wk = 0.0033113 k( 117) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033113 k( 118) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033113 k( 119) = ( 0.4857143 0.4857143 0.4857143), wk = 0.0033113 k( 120) = ( 0.4714286 0.4714286 0.4714286), wk = 0.0033113 k( 121) = ( 0.4571429 0.4571429 0.4571429), wk = 0.0033113 k( 122) = ( 0.4428571 0.4428571 0.4428571), wk = 0.0033113 k( 123) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0033113 k( 124) = ( 0.4142857 0.4142857 0.4142857), wk = 0.0033113 k( 125) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0033113 k( 126) = ( 0.3857143 0.3857143 0.3857143), wk = 0.0033113 k( 127) = ( 0.3714286 0.3714286 0.3714286), wk = 0.0033113 k( 128) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0033113 k( 129) = ( 0.3428571 0.3428571 0.3428571), wk = 0.0033113 k( 130) = ( 0.3285714 0.3285714 0.3285714), wk = 0.0033113 k( 131) = ( 0.3142857 0.3142857 0.3142857), wk = 0.0033113 k( 132) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0033113 k( 133) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0033113 k( 134) = ( 0.2714286 0.2714286 0.2714286), wk = 0.0033113 k( 135) = ( 0.2571429 0.2571429 0.2571429), wk = 0.0033113 k( 136) = ( 0.2428571 0.2428571 0.2428571), wk = 0.0033113 k( 137) = ( 0.2285714 0.2285714 0.2285714), wk = 0.0033113 k( 138) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0033113 k( 139) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0033113 k( 140) = ( 0.1857143 0.1857143 0.1857143), wk = 0.0033113 k( 141) = ( 0.1714286 0.1714286 0.1714286), wk = 0.0033113 k( 142) = ( 0.1571429 0.1571429 0.1571429), wk = 0.0033113 k( 143) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0033113 k( 144) = ( 0.1285714 0.1285714 0.1285714), wk = 0.0033113 k( 145) = ( 0.1142857 0.1142857 0.1142857), wk = 0.0033113 k( 146) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0033113 k( 147) = ( 0.0857143 0.0857143 0.0857143), wk = 0.0033113 k( 148) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0033113 k( 149) = ( 0.0571429 0.0571429 0.0571429), wk = 0.0033113 k( 150) = ( 0.0428571 0.0428571 0.0428571), wk = 0.0033113 k( 151) = ( 0.0285714 0.0285714 0.0285714), wk = 0.0033113 k( 152) = ( 0.0142857 0.0142857 0.0142857), wk = 0.0033113 k( 153) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033113 k( 154) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033113 k( 155) = ( 0.0070529 0.0000000 -0.0070529), wk = 0.0033113 k( 156) = ( 0.0141059 0.0000000 -0.0141059), wk = 0.0033113 k( 157) = ( 0.0211588 0.0000000 -0.0211588), wk = 0.0033113 k( 158) = ( 0.0282118 0.0000000 -0.0282118), wk = 0.0033113 k( 159) = ( 0.0352647 0.0000000 -0.0352647), wk = 0.0033113 k( 160) = ( 0.0423177 0.0000000 -0.0423177), wk = 0.0033113 k( 161) = ( 0.0493706 -0.0000000 -0.0493706), wk = 0.0033113 k( 162) = ( 0.0564236 0.0000000 -0.0564236), wk = 0.0033113 k( 163) = ( 0.0634765 0.0000000 -0.0634765), wk = 0.0033113 k( 164) = ( 0.0705295 0.0000000 -0.0705295), wk = 0.0033113 k( 165) = ( 0.0775824 0.0000000 -0.0775824), wk = 0.0033113 k( 166) = ( 0.0846354 0.0000000 -0.0846354), wk = 0.0033113 k( 167) = ( 0.0916883 0.0000000 -0.0916883), wk = 0.0033113 k( 168) = ( 0.0987413 -0.0000000 -0.0987413), wk = 0.0033113 k( 169) = ( 0.1057942 0.0000000 -0.1057942), wk = 0.0033113 k( 170) = ( 0.1128471 0.0000000 -0.1128471), wk = 0.0033113 k( 171) = ( 0.1199001 0.0000000 -0.1199001), wk = 0.0033113 k( 172) = ( 0.1269530 0.0000000 -0.1269530), wk = 0.0033113 k( 173) = ( 0.1340060 0.0000000 -0.1340060), wk = 0.0033113 k( 174) = ( 0.1410589 0.0000000 -0.1410589), wk = 0.0033113 k( 175) = ( 0.1481119 0.0000000 -0.1481119), wk = 0.0033113 k( 176) = ( 0.1551648 0.0000000 -0.1551648), wk = 0.0033113 k( 177) = ( 0.1622178 0.0000000 -0.1622178), wk = 0.0033113 k( 178) = ( 0.1692707 0.0000000 -0.1692707), wk = 0.0033113 k( 179) = ( 0.1763237 0.0000000 -0.1763237), wk = 0.0033113 k( 180) = ( 0.1833766 0.0000000 -0.1833766), wk = 0.0033113 k( 181) = ( 0.1904296 0.0000000 -0.1904296), wk = 0.0033113 k( 182) = ( 0.1974825 0.0000000 -0.1974825), wk = 0.0033113 k( 183) = ( 0.2045355 0.0000000 -0.2045355), wk = 0.0033113 k( 184) = ( 0.2115884 0.0000000 -0.2115884), wk = 0.0033113 k( 185) = ( 0.2186414 0.0000000 -0.2186413), wk = 0.0033113 k( 186) = ( 0.2256943 0.0000000 -0.2256943), wk = 0.0033113 k( 187) = ( 0.2327472 0.0000000 -0.2327472), wk = 0.0033113 k( 188) = ( 0.2398002 0.0000000 -0.2398002), wk = 0.0033113 k( 189) = ( 0.2468531 0.0000000 -0.2468531), wk = 0.0033113 k( 190) = ( 0.2539061 0.0000000 -0.2539061), wk = 0.0033113 k( 191) = ( 0.2609590 0.0000000 -0.2609590), wk = 0.0033113 k( 192) = ( 0.2680120 0.0000000 -0.2680120), wk = 0.0033113 k( 193) = ( 0.2750649 0.0000000 -0.2750649), wk = 0.0033113 k( 194) = ( 0.2821179 0.0000000 -0.2821179), wk = 0.0033113 k( 195) = ( 0.2891708 0.0000000 -0.2891708), wk = 0.0033113 k( 196) = ( 0.2962238 0.0000000 -0.2962238), wk = 0.0033113 k( 197) = ( 0.3032767 0.0000000 -0.3032767), wk = 0.0033113 k( 198) = ( 0.3103297 0.0000000 -0.3103297), wk = 0.0033113 k( 199) = ( 0.3173826 0.0000000 -0.3173826), wk = 0.0033113 k( 200) = ( 0.3244356 0.0000000 -0.3244356), wk = 0.0033113 k( 201) = ( 0.3314885 0.0000000 -0.3314885), wk = 0.0033113 k( 202) = ( 0.3385415 0.0000000 -0.3385414), wk = 0.0033113 k( 203) = ( 0.3455944 0.0000000 -0.3455944), wk = 0.0033113 k( 204) = ( 0.3526473 0.0000000 -0.3526473), wk = 0.0033113 k( 205) = ( 0.3597003 0.0000000 -0.3597003), wk = 0.0033113 k( 206) = ( 0.6402997 0.3597003 -0.0000000), wk = 0.0033113 k( 207) = ( 0.6332847 0.3667153 -0.0000000), wk = 0.0033113 k( 208) = ( 0.6262697 0.3737303 0.0000000), wk = 0.0033113 k( 209) = ( 0.6192548 0.3807452 0.0000000), wk = 0.0033113 k( 210) = ( 0.6122398 0.3877602 -0.0000000), wk = 0.0033113 k( 211) = ( 0.6052248 0.3947752 0.0000000), wk = 0.0033113 k( 212) = ( 0.5982098 0.4017902 0.0000000), wk = 0.0033113 k( 213) = ( 0.5911948 0.4088052 0.0000000), wk = 0.0033113 k( 214) = ( 0.5841798 0.4158202 -0.0000000), wk = 0.0033113 k( 215) = ( 0.5771648 0.4228352 0.0000000), wk = 0.0033113 k( 216) = ( 0.5701499 0.4298501 0.0000000), wk = 0.0033113 k( 217) = ( 0.5631349 0.4368651 0.0000000), wk = 0.0033113 k( 218) = ( 0.5561199 0.4438801 0.0000000), wk = 0.0033113 k( 219) = ( 0.5491049 0.4508951 -0.0000000), wk = 0.0033113 k( 220) = ( 0.5420899 0.4579101 -0.0000000), wk = 0.0033113 k( 221) = ( 0.5350749 0.4649251 -0.0000000), wk = 0.0033113 k( 222) = ( 0.5280599 0.4719401 0.0000000), wk = 0.0033113 k( 223) = ( 0.5210450 0.4789550 0.0000000), wk = 0.0033113 k( 224) = ( 0.5140300 0.4859700 -0.0000000), wk = 0.0033113 k( 225) = ( 0.5070150 0.4929850 0.0000000), wk = 0.0033113 k( 226) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0033113 k( 227) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0033113 k( 228) = ( 0.5100214 0.5100214 0.0156715), wk = 0.0033113 k( 229) = ( 0.5200428 0.5200428 0.0313429), wk = 0.0033113 k( 230) = ( 0.5300642 0.5300642 0.0470144), wk = 0.0033113 k( 231) = ( 0.5400856 0.5400856 0.0626859), wk = 0.0033113 k( 232) = ( 0.5501070 0.5501070 0.0783573), wk = 0.0033113 k( 233) = ( 0.5601284 0.5601284 0.0940288), wk = 0.0033113 k( 234) = ( 0.5701499 0.5701499 0.1097003), wk = 0.0033113 k( 235) = ( 0.5801713 0.5801713 0.1253718), wk = 0.0033113 k( 236) = ( 0.5901927 0.5901927 0.1410432), wk = 0.0033113 k( 237) = ( 0.6002141 0.6002141 0.1567147), wk = 0.0033113 k( 238) = ( 0.6102355 0.6102355 0.1723862), wk = 0.0033113 k( 239) = ( 0.6202569 0.6202569 0.1880576), wk = 0.0033113 k( 240) = ( 0.6302783 0.6302783 0.2037291), wk = 0.0033113 k( 241) = ( 0.6402997 0.6402997 0.2194006), wk = 0.0033113 k( 242) = ( 0.6402997 0.6402997 0.2194006), wk = 0.0033113 k( 243) = ( 0.6362912 0.6362912 0.2274177), wk = 0.0033113 k( 244) = ( 0.6322826 0.6322826 0.2354348), wk = 0.0033113 k( 245) = ( 0.6282740 0.6282740 0.2434520), wk = 0.0033113 k( 246) = ( 0.6242655 0.6242655 0.2514691), wk = 0.0033113 k( 247) = ( 0.6202569 0.6202569 0.2594862), wk = 0.0033113 k( 248) = ( 0.6162483 0.6162483 0.2675033), wk = 0.0033113 k( 249) = ( 0.6122398 0.6122398 0.2755205), wk = 0.0033113 k( 250) = ( 0.6082312 0.6082312 0.2835376), wk = 0.0033113 k( 251) = ( 0.6042226 0.6042226 0.2915547), wk = 0.0033113 k( 252) = ( 0.6002141 0.6002141 0.2995718), wk = 0.0033113 k( 253) = ( 0.5962055 0.5962055 0.3075890), wk = 0.0033113 k( 254) = ( 0.5921970 0.5921970 0.3156061), wk = 0.0033113 k( 255) = ( 0.5881884 0.5881884 0.3236232), wk = 0.0033113 k( 256) = ( 0.5841798 0.5841798 0.3316403), wk = 0.0033113 k( 257) = ( 0.5801713 0.5801713 0.3396575), wk = 0.0033113 k( 258) = ( 0.5761627 0.5761627 0.3476746), wk = 0.0033113 k( 259) = ( 0.5721541 0.5721541 0.3556917), wk = 0.0033113 k( 260) = ( 0.5681456 0.5681456 0.3637088), wk = 0.0033113 k( 261) = ( 0.5641370 0.5641370 0.3717260), wk = 0.0033113 k( 262) = ( 0.5601284 0.5601284 0.3797431), wk = 0.0033113 k( 263) = ( 0.5561199 0.5561199 0.3877602), wk = 0.0033113 k( 264) = ( 0.5521113 0.5521113 0.3957774), wk = 0.0033113 k( 265) = ( 0.5481028 0.5481028 0.4037945), wk = 0.0033113 k( 266) = ( 0.5440942 0.5440942 0.4118116), wk = 0.0033113 k( 267) = ( 0.5400856 0.5400856 0.4198287), wk = 0.0033113 k( 268) = ( 0.5360771 0.5360771 0.4278459), wk = 0.0033113 k( 269) = ( 0.5320685 0.5320685 0.4358630), wk = 0.0033113 k( 270) = ( 0.5280599 0.5280599 0.4438801), wk = 0.0033113 k( 271) = ( 0.5240514 0.5240514 0.4518972), wk = 0.0033113 k( 272) = ( 0.5200428 0.5200428 0.4599144), wk = 0.0033113 k( 273) = ( 0.5160343 0.5160343 0.4679315), wk = 0.0033113 k( 274) = ( 0.5120257 0.5120257 0.4759486), wk = 0.0033113 k( 275) = ( 0.5080171 0.5080171 0.4839657), wk = 0.0033113 k( 276) = ( 0.5040086 0.5040086 0.4919829), wk = 0.0033113 k( 277) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033113 k( 278) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0033113 k( 279) = ( 0.5116916 0.0149875 0.0149875), wk = 0.0033113 k( 280) = ( 0.5233833 0.0299750 0.0299750), wk = 0.0033113 k( 281) = ( 0.5350749 0.0449625 0.0449625), wk = 0.0033113 k( 282) = ( 0.5467666 0.0599501 0.0599501), wk = 0.0033113 k( 283) = ( 0.5584582 0.0749376 0.0749376), wk = 0.0033113 k( 284) = ( 0.5701499 0.0899251 0.0899251), wk = 0.0033113 k( 285) = ( 0.5818415 0.1049126 0.1049126), wk = 0.0033113 k( 286) = ( 0.5935331 0.1199001 0.1199001), wk = 0.0033113 k( 287) = ( 0.6052248 0.1348876 0.1348876), wk = 0.0033113 k( 288) = ( 0.6169164 0.1498751 0.1498751), wk = 0.0033113 k( 289) = ( 0.6286081 0.1648626 0.1648626), wk = 0.0033113 k( 290) = ( 0.6402997 0.1798501 0.1798501), wk = 0.0033113 k( 291) = ( 0.6519913 0.1948377 0.1948377), wk = 0.0033113 k( 292) = ( 0.6636830 0.2098252 0.2098252), wk = 0.0033113 k( 293) = ( 0.6753746 0.2248127 0.2248127), wk = 0.0033113 k( 294) = ( 0.6870663 0.2398002 0.2398002), wk = 0.0033113 k( 295) = ( 0.6987579 0.2547877 0.2547877), wk = 0.0033113 k( 296) = ( 0.7104496 0.2697752 0.2697752), wk = 0.0033113 k( 297) = ( 0.7221412 0.2847627 0.2847627), wk = 0.0033113 k( 298) = ( 0.7338328 0.2997502 0.2997502), wk = 0.0033113 k( 299) = ( 0.7455245 0.3147378 0.3147377), wk = 0.0033113 k( 300) = ( 0.7572161 0.3297253 0.3297253), wk = 0.0033113 k( 301) = ( 0.7689078 0.3447128 0.3447128), wk = 0.0033113 k( 302) = ( 0.7805994 0.3597003 0.3597003), wk = 0.0033113 Dense grid: 52807 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 23251 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.15 Mb ( 170, 58) NL pseudopotentials 0.23 Mb ( 85, 180) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1466) G-vector shells 0.01 Mb ( 1205) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.60 Mb ( 170, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.32 Mb ( 180, 2, 58) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./AlBO3.save/charge-density.dat negative rho (up, down): 1.833E-04 0.000E+00 Starting wfc are 80 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 3.8 secs Computing kpt #: 2 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 5.4 secs Computing kpt #: 3 total cpu time spent up to now is 6.5 secs Computing kpt #: 4 total cpu time spent up to now is 7.2 secs Computing kpt #: 5 total cpu time spent up to now is 8.1 secs Computing kpt #: 6 total cpu time spent up to now is 8.8 secs Computing kpt #: 7 total cpu time spent up to now is 9.5 secs Computing kpt #: 8 total cpu time spent up to now is 10.2 secs Computing kpt #: 9 total cpu time spent up to now is 10.9 secs Computing kpt #: 10 total cpu time spent up to now is 11.5 secs Computing kpt #: 11 total cpu time spent up to now is 12.2 secs Computing kpt #: 12 total cpu time spent up to now is 12.9 secs Computing kpt #: 13 total cpu time spent up to now is 13.5 secs Computing kpt #: 14 total cpu time spent up to now is 14.2 secs Computing kpt #: 15 total cpu time spent up to now is 15.0 secs Computing kpt #: 16 total cpu time spent up to now is 15.7 secs Computing kpt #: 17 total cpu time spent up to now is 16.4 secs Computing kpt #: 18 total cpu time spent up to now is 17.2 secs Computing kpt #: 19 total cpu time spent up to now is 18.1 secs Computing kpt #: 20 total cpu time spent up to now is 19.2 secs Computing kpt #: 21 total cpu time spent up to now is 20.3 secs Computing kpt #: 22 total cpu time spent up to now is 21.1 secs Computing kpt #: 23 total cpu time spent up to now is 21.8 secs Computing kpt #: 24 total cpu time spent up to now is 22.4 secs Computing kpt #: 25 total cpu time spent up to now is 23.1 secs Computing kpt #: 26 total cpu time spent up to now is 23.7 secs Computing kpt #: 27 total cpu time spent up to now is 24.4 secs Computing kpt #: 28 total cpu time spent up to now is 25.0 secs Computing kpt #: 29 total cpu time spent up to now is 25.6 secs Computing kpt #: 30 total cpu time spent up to now is 26.2 secs Computing kpt #: 31 total cpu time spent up to now is 26.7 secs Computing kpt #: 32 total cpu time spent up to now is 27.3 secs Computing kpt #: 33 total cpu time spent up to now is 27.9 secs Computing kpt #: 34 total cpu time spent up to now is 28.4 secs Computing kpt #: 35 total cpu time spent up to now is 29.0 secs Computing kpt #: 36 total cpu time spent up to now is 29.5 secs Computing kpt #: 37 total cpu time spent up to now is 30.1 secs Computing kpt #: 38 total cpu time spent up to now is 30.7 secs Computing kpt #: 39 total cpu time spent up to now is 31.2 secs Computing kpt #: 40 total cpu time spent up to now is 31.8 secs Computing kpt #: 41 total cpu time spent up to now is 32.4 secs Computing kpt #: 42 total cpu time spent up to now is 33.0 secs Computing kpt #: 43 total cpu time spent up to now is 33.7 secs Computing kpt #: 44 total cpu time spent up to now is 34.3 secs Computing kpt #: 45 total cpu time spent up to now is 34.8 secs Computing kpt #: 46 total cpu time spent up to now is 35.4 secs Computing kpt #: 47 total cpu time spent up to now is 36.0 secs Computing kpt #: 48 total cpu time spent up to now is 36.8 secs Computing kpt #: 49 total cpu time spent up to now is 37.5 secs Computing kpt #: 50 total cpu time spent up to now is 38.2 secs Computing kpt #: 51 total cpu time spent up to now is 39.0 secs Computing kpt #: 52 total cpu time spent up to now is 39.7 secs Computing kpt #: 53 total cpu time spent up to now is 40.4 secs Computing kpt #: 54 total cpu time spent up to now is 41.1 secs Computing kpt #: 55 total cpu time spent up to now is 41.8 secs Computing kpt #: 56 total cpu time spent up to now is 42.5 secs Computing kpt #: 57 total cpu time spent up to now is 43.2 secs Computing kpt #: 58 total cpu time spent up to now is 43.9 secs Computing kpt #: 59 total cpu time spent up to now is 44.6 secs Computing kpt #: 60 total cpu time spent up to now is 45.3 secs Computing kpt #: 61 total cpu time spent up to now is 45.9 secs Computing kpt #: 62 total cpu time spent up to now is 46.7 secs Computing kpt #: 63 total cpu time spent up to now is 47.4 secs Computing kpt #: 64 total cpu time spent up to now is 48.0 secs Computing kpt #: 65 total cpu time spent up to now is 48.7 secs Computing kpt #: 66 total cpu time spent up to now is 49.4 secs Computing kpt #: 67 total cpu time spent up to now is 50.1 secs Computing kpt #: 68 total cpu time spent up to now is 50.8 secs Computing kpt #: 69 total cpu time spent up to now is 51.5 secs Computing kpt #: 70 total cpu time spent up to now is 52.2 secs Computing kpt #: 71 total cpu time spent up to now is 52.9 secs Computing kpt #: 72 total cpu time spent up to now is 53.6 secs Computing kpt #: 73 total cpu time spent up to now is 54.3 secs Computing kpt #: 74 total cpu time spent up to now is 54.9 secs Computing kpt #: 75 total cpu time spent up to now is 55.6 secs Computing kpt #: 76 total cpu time spent up to now is 56.3 secs Computing kpt #: 77 total cpu time spent up to now is 57.0 secs Computing kpt #: 78 total cpu time spent up to now is 57.7 secs Computing kpt #: 79 total cpu time spent up to now is 58.4 secs Computing kpt #: 80 total cpu time spent up to now is 59.1 secs Computing kpt #: 81 total cpu time spent up to now is 59.8 secs Computing kpt #: 82 total cpu time spent up to now is 60.5 secs Computing kpt #: 83 total cpu time spent up to now is 61.2 secs Computing kpt #: 84 total cpu time spent up to now is 61.9 secs Computing kpt #: 85 total cpu time spent up to now is 62.6 secs Computing kpt #: 86 total cpu time spent up to now is 63.2 secs Computing kpt #: 87 total cpu time spent up to now is 63.9 secs Computing kpt #: 88 total cpu time spent up to now is 64.6 secs Computing kpt #: 89 total cpu time spent up to now is 65.3 secs Computing kpt #: 90 total cpu time spent up to now is 66.0 secs Computing kpt #: 91 total cpu time spent up to now is 66.7 secs Computing kpt #: 92 total cpu time spent up to now is 67.4 secs Computing kpt #: 93 total cpu time spent up to now is 68.1 secs Computing kpt #: 94 total cpu time spent up to now is 68.8 secs Computing kpt #: 95 total cpu time spent up to now is 69.5 secs Computing kpt #: 96 total cpu time spent up to now is 70.2 secs Computing kpt #: 97 total cpu time spent up to now is 71.0 secs Computing kpt #: 98 total cpu time spent up to now is 71.7 secs Computing kpt #: 99 total cpu time spent up to now is 72.4 secs Computing kpt #: 100 total cpu time spent up to now is 73.2 secs Computing kpt #: 101 total cpu time spent up to now is 74.0 secs Computing kpt #: 102 total cpu time spent up to now is 74.8 secs Computing kpt #: 103 total cpu time spent up to now is 75.6 secs Computing kpt #: 104 total cpu time spent up to now is 76.5 secs Computing kpt #: 105 total cpu time spent up to now is 77.3 secs Computing kpt #: 106 total cpu time spent up to now is 78.1 secs Computing kpt #: 107 total cpu time spent up to now is 78.9 secs Computing kpt #: 108 total cpu time spent up to now is 79.6 secs Computing kpt #: 109 total cpu time spent up to now is 80.3 secs Computing kpt #: 110 total cpu time spent up to now is 81.1 secs Computing kpt #: 111 total cpu time spent up to now is 81.9 secs Computing kpt #: 112 total cpu time spent up to now is 82.8 secs Computing kpt #: 113 total cpu time spent up to now is 83.7 secs Computing kpt #: 114 total cpu time spent up to now is 84.6 secs Computing kpt #: 115 total cpu time spent up to now is 85.8 secs Computing kpt #: 116 total cpu time spent up to now is 87.4 secs Computing kpt #: 117 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 89.1 secs Computing kpt #: 118 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 90.8 secs Computing kpt #: 119 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 92.6 secs Computing kpt #: 120 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 94.3 secs Computing kpt #: 121 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 96.0 secs Computing kpt #: 122 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 97.8 secs Computing kpt #: 123 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 99.5 secs Computing kpt #: 124 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 101.3 secs Computing kpt #: 125 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 103.0 secs Computing kpt #: 126 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 104.7 secs Computing kpt #: 127 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 106.4 secs Computing kpt #: 128 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 108.0 secs Computing kpt #: 129 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 109.7 secs Computing kpt #: 130 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 111.4 secs Computing kpt #: 131 total cpu time spent up to now is 112.6 secs Computing kpt #: 132 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 114.5 secs Computing kpt #: 133 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 116.1 secs Computing kpt #: 134 total cpu time spent up to now is 117.3 secs Computing kpt #: 135 total cpu time spent up to now is 118.9 secs Computing kpt #: 136 total cpu time spent up to now is 119.7 secs Computing kpt #: 137 total cpu time spent up to now is 121.3 secs Computing kpt #: 138 total cpu time spent up to now is 122.1 secs Computing kpt #: 139 total cpu time spent up to now is 123.7 secs Computing kpt #: 140 total cpu time spent up to now is 124.5 secs Computing kpt #: 141 total cpu time spent up to now is 125.2 secs Computing kpt #: 142 total cpu time spent up to now is 125.9 secs Computing kpt #: 143 total cpu time spent up to now is 126.6 secs Computing kpt #: 144 total cpu time spent up to now is 127.4 secs Computing kpt #: 145 total cpu time spent up to now is 128.2 secs Computing kpt #: 146 total cpu time spent up to now is 129.3 secs Computing kpt #: 147 total cpu time spent up to now is 130.4 secs Computing kpt #: 148 total cpu time spent up to now is 131.3 secs Computing kpt #: 149 total cpu time spent up to now is 132.4 secs Computing kpt #: 150 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 134.0 secs Computing kpt #: 151 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 135.6 secs Computing kpt #: 152 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 137.2 secs Computing kpt #: 153 total cpu time spent up to now is 138.4 secs Computing kpt #: 154 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 140.0 secs Computing kpt #: 155 total cpu time spent up to now is 141.2 secs Computing kpt #: 156 total cpu time spent up to now is 142.7 secs Computing kpt #: 157 total cpu time spent up to now is 143.9 secs Computing kpt #: 158 total cpu time spent up to now is 144.6 secs Computing kpt #: 159 total cpu time spent up to now is 145.3 secs Computing kpt #: 160 total cpu time spent up to now is 146.0 secs Computing kpt #: 161 total cpu time spent up to now is 146.7 secs Computing kpt #: 162 total cpu time spent up to now is 147.3 secs Computing kpt #: 163 total cpu time spent up to now is 148.0 secs Computing kpt #: 164 total cpu time spent up to now is 148.6 secs Computing kpt #: 165 total cpu time spent up to now is 149.2 secs Computing kpt #: 166 total cpu time spent up to now is 149.9 secs Computing kpt #: 167 total cpu time spent up to now is 150.6 secs Computing kpt #: 168 total cpu time spent up to now is 151.3 secs Computing kpt #: 169 total cpu time spent up to now is 152.1 secs Computing kpt #: 170 total cpu time spent up to now is 152.8 secs Computing kpt #: 171 total cpu time spent up to now is 153.5 secs Computing kpt #: 172 total cpu time spent up to now is 154.3 secs Computing kpt #: 173 total cpu time spent up to now is 155.2 secs Computing kpt #: 174 total cpu time spent up to now is 156.2 secs Computing kpt #: 175 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 157.9 secs Computing kpt #: 176 total cpu time spent up to now is 158.6 secs Computing kpt #: 177 total cpu time spent up to now is 159.2 secs Computing kpt #: 178 total cpu time spent up to now is 159.9 secs Computing kpt #: 179 total cpu time spent up to now is 160.4 secs Computing kpt #: 180 total cpu time spent up to now is 161.0 secs Computing kpt #: 181 total cpu time spent up to now is 161.6 secs Computing kpt #: 182 total cpu time spent up to now is 162.1 secs Computing kpt #: 183 total cpu time spent up to now is 162.7 secs Computing kpt #: 184 total cpu time spent up to now is 163.2 secs Computing kpt #: 185 total cpu time spent up to now is 163.8 secs Computing kpt #: 186 total cpu time spent up to now is 164.3 secs Computing kpt #: 187 total cpu time spent up to now is 164.9 secs Computing kpt #: 188 total cpu time spent up to now is 165.4 secs Computing kpt #: 189 total cpu time spent up to now is 166.0 secs Computing kpt #: 190 total cpu time spent up to now is 166.5 secs Computing kpt #: 191 total cpu time spent up to now is 167.1 secs Computing kpt #: 192 total cpu time spent up to now is 167.6 secs Computing kpt #: 193 total cpu time spent up to now is 168.2 secs Computing kpt #: 194 total cpu time spent up to now is 168.7 secs Computing kpt #: 195 total cpu time spent up to now is 169.2 secs Computing kpt #: 196 total cpu time spent up to now is 169.8 secs Computing kpt #: 197 total cpu time spent up to now is 170.4 secs Computing kpt #: 198 total cpu time spent up to now is 171.0 secs Computing kpt #: 199 total cpu time spent up to now is 171.5 secs Computing kpt #: 200 total cpu time spent up to now is 172.1 secs Computing kpt #: 201 total cpu time spent up to now is 172.7 secs Computing kpt #: 202 total cpu time spent up to now is 173.2 secs Computing kpt #: 203 total cpu time spent up to now is 173.8 secs Computing kpt #: 204 total cpu time spent up to now is 174.4 secs Computing kpt #: 205 total cpu time spent up to now is 175.0 secs Computing kpt #: 206 total cpu time spent up to now is 175.6 secs Computing kpt #: 207 total cpu time spent up to now is 176.2 secs Computing kpt #: 208 total cpu time spent up to now is 176.7 secs Computing kpt #: 209 total cpu time spent up to now is 177.4 secs Computing kpt #: 210 total cpu time spent up to now is 178.1 secs Computing kpt #: 211 total cpu time spent up to now is 178.7 secs Computing kpt #: 212 total cpu time spent up to now is 179.4 secs Computing kpt #: 213 total cpu time spent up to now is 180.0 secs Computing kpt #: 214 total cpu time spent up to now is 180.7 secs Computing kpt #: 215 total cpu time spent up to now is 181.3 secs Computing kpt #: 216 total cpu time spent up to now is 182.0 secs Computing kpt #: 217 total cpu time spent up to now is 182.6 secs Computing kpt #: 218 total cpu time spent up to now is 183.2 secs Computing kpt #: 219 total cpu time spent up to now is 183.8 secs Computing kpt #: 220 total cpu time spent up to now is 184.5 secs Computing kpt #: 221 total cpu time spent up to now is 185.1 secs Computing kpt #: 222 total cpu time spent up to now is 185.8 secs Computing kpt #: 223 total cpu time spent up to now is 186.4 secs Computing kpt #: 224 total cpu time spent up to now is 187.1 secs Computing kpt #: 225 total cpu time spent up to now is 187.7 secs Computing kpt #: 226 total cpu time spent up to now is 188.3 secs Computing kpt #: 227 total cpu time spent up to now is 188.9 secs Computing kpt #: 228 total cpu time spent up to now is 189.5 secs Computing kpt #: 229 total cpu time spent up to now is 190.1 secs Computing kpt #: 230 total cpu time spent up to now is 190.8 secs Computing kpt #: 231 total cpu time spent up to now is 191.4 secs Computing kpt #: 232 total cpu time spent up to now is 192.1 secs Computing kpt #: 233 total cpu time spent up to now is 192.7 secs Computing kpt #: 234 total cpu time spent up to now is 193.3 secs Computing kpt #: 235 total cpu time spent up to now is 193.9 secs Computing kpt #: 236 total cpu time spent up to now is 194.5 secs Computing kpt #: 237 total cpu time spent up to now is 195.1 secs Computing kpt #: 238 total cpu time spent up to now is 195.7 secs Computing kpt #: 239 total cpu time spent up to now is 196.2 secs Computing kpt #: 240 total cpu time spent up to now is 196.8 secs Computing kpt #: 241 total cpu time spent up to now is 197.4 secs Computing kpt #: 242 total cpu time spent up to now is 198.0 secs Computing kpt #: 243 total cpu time spent up to now is 198.5 secs Computing kpt #: 244 total cpu time spent up to now is 199.1 secs Computing kpt #: 245 total cpu time spent up to now is 199.6 secs Computing kpt #: 246 total cpu time spent up to now is 200.2 secs Computing kpt #: 247 total cpu time spent up to now is 201.9 secs Computing kpt #: 248 total cpu time spent up to now is 202.4 secs Computing kpt #: 249 total cpu time spent up to now is 203.0 secs Computing kpt #: 250 total cpu time spent up to now is 203.6 secs Computing kpt #: 251 total cpu time spent up to now is 204.2 secs Computing kpt #: 252 total cpu time spent up to now is 204.8 secs Computing kpt #: 253 total cpu time spent up to now is 205.5 secs Computing kpt #: 254 total cpu time spent up to now is 206.1 secs Computing kpt #: 255 total cpu time spent up to now is 206.7 secs Computing kpt #: 256 total cpu time spent up to now is 207.3 secs Computing kpt #: 257 total cpu time spent up to now is 207.9 secs Computing kpt #: 258 total cpu time spent up to now is 208.5 secs Computing kpt #: 259 total cpu time spent up to now is 209.0 secs Computing kpt #: 260 total cpu time spent up to now is 209.6 secs Computing kpt #: 261 total cpu time spent up to now is 210.3 secs Computing kpt #: 262 total cpu time spent up to now is 210.9 secs Computing kpt #: 263 total cpu time spent up to now is 211.6 secs Computing kpt #: 264 total cpu time spent up to now is 212.2 secs Computing kpt #: 265 total cpu time spent up to now is 212.9 secs Computing kpt #: 266 total cpu time spent up to now is 213.5 secs Computing kpt #: 267 total cpu time spent up to now is 214.2 secs Computing kpt #: 268 total cpu time spent up to now is 214.9 secs Computing kpt #: 269 total cpu time spent up to now is 215.6 secs Computing kpt #: 270 total cpu time spent up to now is 216.4 secs Computing kpt #: 271 total cpu time spent up to now is 217.5 secs Computing kpt #: 272 total cpu time spent up to now is 218.4 secs Computing kpt #: 273 total cpu time spent up to now is 219.6 secs Computing kpt #: 274 total cpu time spent up to now is 221.2 secs Computing kpt #: 275 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 222.9 secs Computing kpt #: 276 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 224.6 secs Computing kpt #: 277 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 226.4 secs Computing kpt #: 278 total cpu time spent up to now is 226.9 secs Computing kpt #: 279 total cpu time spent up to now is 227.6 secs Computing kpt #: 280 total cpu time spent up to now is 228.2 secs Computing kpt #: 281 total cpu time spent up to now is 228.9 secs Computing kpt #: 282 total cpu time spent up to now is 229.5 secs Computing kpt #: 283 total cpu time spent up to now is 230.0 secs Computing kpt #: 284 total cpu time spent up to now is 230.6 secs Computing kpt #: 285 total cpu time spent up to now is 231.2 secs Computing kpt #: 286 total cpu time spent up to now is 231.8 secs Computing kpt #: 287 total cpu time spent up to now is 232.3 secs Computing kpt #: 288 total cpu time spent up to now is 232.9 secs Computing kpt #: 289 total cpu time spent up to now is 233.4 secs Computing kpt #: 290 total cpu time spent up to now is 234.0 secs Computing kpt #: 291 total cpu time spent up to now is 234.6 secs Computing kpt #: 292 total cpu time spent up to now is 235.1 secs Computing kpt #: 293 total cpu time spent up to now is 235.9 secs Computing kpt #: 294 total cpu time spent up to now is 236.5 secs Computing kpt #: 295 total cpu time spent up to now is 237.0 secs Computing kpt #: 296 total cpu time spent up to now is 237.6 secs Computing kpt #: 297 total cpu time spent up to now is 238.1 secs Computing kpt #: 298 total cpu time spent up to now is 238.7 secs Computing kpt #: 299 total cpu time spent up to now is 239.2 secs Computing kpt #: 300 total cpu time spent up to now is 239.8 secs Computing kpt #: 301 total cpu time spent up to now is 240.3 secs Computing kpt #: 302 total cpu time spent up to now is 240.9 secs ethr = 2.08E-08, avg # of iterations = 36.8 total cpu time spent up to now is 240.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2905 PWs) bands (ev): -13.1335 -13.1335 -11.4837 -11.4837 -10.2938 -10.2938 -10.2937 -10.2937 -10.1378 -10.1378 -10.1366 -10.1366 -0.1248 -0.1248 0.1567 0.1567 0.6449 0.6449 0.7943 0.7943 0.8010 0.8010 1.6967 1.6967 1.7091 1.7091 3.3464 3.3464 3.6860 3.6860 5.1253 5.1253 5.1305 5.1305 5.1315 5.1315 5.1374 5.1374 6.2238 6.2238 6.2447 6.2447 6.4644 6.4644 7.3180 7.3180 7.3315 7.3315 13.5326 13.5326 13.8477 13.8477 15.9567 15.9567 18.3991 18.3991 18.9799 18.9801 k = 0.0116-0.0097-0.0064 ( 2903 PWs) bands (ev): -13.1328 -13.1328 -11.4835 -11.4835 -10.2947 -10.2947 -10.2941 -10.2941 -10.1381 -10.1381 -10.1369 -10.1369 -0.1241 -0.1241 0.1574 0.1574 0.6359 0.6359 0.7956 0.7956 0.8092 0.8092 1.6965 1.6965 1.7095 1.7095 3.3497 3.3497 3.6885 3.6885 5.0985 5.0985 5.1109 5.1109 5.1507 5.1507 5.1604 5.1604 6.2224 6.2224 6.2434 6.2434 6.4652 6.4652 7.3166 7.3166 7.3303 7.3303 13.5328 13.5328 13.8511 13.8511 15.9544 15.9544 18.4013 18.4013 18.9747 18.9748 k = 0.0233-0.0193-0.0128 ( 2903 PWs) bands (ev): -13.1306 -13.1306 -11.4828 -11.4828 -10.2974 -10.2974 -10.2950 -10.2950 -10.1389 -10.1389 -10.1376 -10.1376 -0.1220 -0.1220 0.1592 0.1592 0.6143 0.6143 0.7927 0.7927 0.8356 0.8356 1.6940 1.6940 1.7126 1.7126 3.3598 3.3598 3.6958 3.6958 5.0635 5.0635 5.0895 5.0895 5.1706 5.1706 5.1843 5.1843 6.2178 6.2178 6.2397 6.2397 6.4676 6.4676 7.3116 7.3116 7.3272 7.3272 13.5335 13.5335 13.8612 13.8612 15.9474 15.9474 18.4079 18.4079 18.9512 18.9512 k = 0.0349-0.0290-0.0192 ( 2896 PWs) bands (ev): -13.1269 -13.1269 -11.4817 -11.4817 -10.3020 -10.3020 -10.2966 -10.2966 -10.1402 -10.1402 -10.1390 -10.1390 -0.1185 -0.1185 0.1623 0.1623 0.5872 0.5872 0.7872 0.7872 0.8714 0.8714 1.6872 1.6872 1.7206 1.7206 3.3764 3.3764 3.7077 3.7077 5.0247 5.0247 5.0678 5.0678 5.1899 5.1899 5.2046 5.2046 6.2092 6.2092 6.2346 6.2346 6.4715 6.4715 7.3015 7.3015 7.3239 7.3239 13.5348 13.5348 13.8777 13.8777 15.9359 15.9359 18.4187 18.4187 18.9106 18.9106 k = 0.0465-0.0387-0.0256 ( 2885 PWs) bands (ev): -13.1217 -13.1217 -11.4802 -11.4802 -10.3083 -10.3083 -10.2987 -10.2987 -10.1421 -10.1421 -10.1408 -10.1408 -0.1136 -0.1136 0.1665 0.1665 0.5587 0.5587 0.7796 0.7796 0.9123 0.9123 1.6768 1.6768 1.7328 1.7328 3.3994 3.3994 3.7242 3.7242 4.9825 4.9825 5.0456 5.0456 5.2086 5.2086 5.2211 5.2211 6.1960 6.1960 6.2291 6.2291 6.4767 6.4767 7.2862 7.2862 7.3206 7.3206 13.5368 13.5368 13.9004 13.9004 15.9201 15.9201 18.4337 18.4337 18.8592 18.8592 k = 0.0581-0.0484-0.0320 ( 2888 PWs) bands (ev): -13.1151 -13.1151 -11.4782 -11.4782 -10.3163 -10.3163 -10.3015 -10.3015 -10.1447 -10.1447 -10.1431 -10.1431 -0.1072 -0.1072 0.1717 0.1717 0.5303 0.5303 0.7705 0.7705 0.9563 0.9563 1.6637 1.6637 1.7486 1.7486 3.4286 3.4286 3.7446 3.7446 4.9370 4.9370 5.0228 5.0228 5.2263 5.2263 5.2341 5.2341 6.1780 6.1780 6.2233 6.2233 6.4832 6.4832 7.2662 7.2662 7.3170 7.3170 13.5398 13.5398 13.9290 13.9290 15.9000 15.9000 18.4527 18.4527 18.8009 18.8009 k = 0.0698-0.0580-0.0384 ( 2892 PWs) bands (ev): -13.1070 -13.1070 -11.4759 -11.4759 -10.3261 -10.3261 -10.3047 -10.3047 -10.1478 -10.1478 -10.1459 -10.1459 -0.0992 -0.0992 0.1778 0.1778 0.5029 0.5029 0.7601 0.7601 1.0025 1.0025 1.6483 1.6483 1.7680 1.7680 3.4636 3.4636 3.7687 3.7687 4.8885 4.8885 4.9994 4.9994 5.2399 5.2399 5.2468 5.2468 6.1558 6.1558 6.2170 6.2170 6.4908 6.4908 7.2421 7.2421 7.3130 7.3130 13.5438 13.5438 13.9632 13.9632 15.8759 15.8759 18.4757 18.4757 18.7385 18.7385 k = 0.0814-0.0677-0.0448 ( 2894 PWs) bands (ev): -13.0975 -13.0975 -11.4732 -11.4732 -10.3375 -10.3375 -10.3085 -10.3085 -10.1515 -10.1515 -10.1493 -10.1493 -0.0897 -0.0897 0.1845 0.1845 0.4767 0.4767 0.7491 0.7491 1.0504 1.0504 1.6313 1.6313 1.7905 1.7905 3.5041 3.5041 3.7959 3.7959 4.8373 4.8373 4.9753 4.9753 5.2454 5.2454 5.2630 5.2630 6.1298 6.1298 6.2103 6.2103 6.4993 6.4993 7.2141 7.2141 7.3085 7.3085 13.5490 13.5490 14.0026 14.0026 15.8482 15.8482 18.5024 18.5024 18.6739 18.6739 k = 0.0930-0.0774-0.0513 ( 2891 PWs) bands (ev): -13.0865 -13.0865 -11.4702 -11.4702 -10.3505 -10.3505 -10.3128 -10.3128 -10.1558 -10.1558 -10.1532 -10.1532 -0.0786 -0.0786 0.1916 0.1916 0.4521 0.4521 0.7379 0.7379 1.0995 1.0995 1.6132 1.6132 1.8161 1.8161 3.5498 3.5498 3.8256 3.8256 4.7836 4.7836 4.9505 4.9505 5.2462 5.2462 5.2794 5.2794 6.1002 6.1002 6.2029 6.2029 6.5086 6.5086 7.1829 7.1829 7.3034 7.3034 13.5556 13.5556 14.0469 14.0469 15.8170 15.8170 18.5324 18.5324 18.6084 18.6084 k = 0.1047-0.0870-0.0577 ( 2893 PWs) bands (ev): -13.0741 -13.0741 -11.4669 -11.4669 -10.3651 -10.3651 -10.3175 -10.3175 -10.1606 -10.1606 -10.1577 -10.1577 -0.0657 -0.0657 0.1987 0.1987 0.4290 0.4290 0.7273 0.7273 1.1491 1.1491 1.5948 1.5948 1.8445 1.8445 3.6001 3.6001 3.8570 3.8570 4.7277 4.7277 4.9249 4.9249 5.2431 5.2431 5.2952 5.2952 6.0676 6.0676 6.1950 6.1950 6.5184 6.5184 7.1487 7.1487 7.2978 7.2978 13.5635 13.5635 14.0957 14.0957 15.7828 15.7828 18.5417 18.5417 18.5670 18.5670 k = 0.1163-0.0967-0.0641 ( 2898 PWs) bands (ev): -13.0603 -13.0603 -11.4633 -11.4633 -10.3811 -10.3811 -10.3226 -10.3226 -10.1659 -10.1659 -10.1627 -10.1627 -0.0510 -0.0510 0.2055 0.2055 0.4075 0.4075 0.7179 0.7179 1.1987 1.1987 1.5770 1.5770 1.8756 1.8756 3.6548 3.6548 3.8895 3.8895 4.6701 4.6701 4.8985 4.8985 5.2363 5.2363 5.3102 5.3102 6.0323 6.0323 6.1864 6.1864 6.5287 6.5287 7.1120 7.1120 7.2916 7.2916 13.5727 13.5727 14.1488 14.1488 15.7457 15.7457 18.4773 18.4773 18.6027 18.6027 k = 0.1279-0.1064-0.0705 ( 2895 PWs) bands (ev): -13.0450 -13.0450 -11.4594 -11.4594 -10.3985 -10.3985 -10.3281 -10.3281 -10.1717 -10.1717 -10.1683 -10.1683 -0.0345 -0.0345 0.2115 0.2115 0.3875 0.3875 0.7105 0.7105 1.2470 1.2470 1.5613 1.5613 1.9092 1.9092 3.7133 3.7133 3.9218 3.9218 4.6115 4.6115 4.8711 4.8711 5.2259 5.2259 5.3243 5.3243 5.9949 5.9949 6.1772 6.1772 6.5391 6.5391 7.0734 7.0734 7.2849 7.2849 13.5834 13.5834 14.2058 14.2058 15.7061 15.7061 18.4134 18.4134 18.6417 18.6417 k = 0.1395-0.1161-0.0769 ( 2893 PWs) bands (ev): -13.0284 -13.0284 -11.4555 -11.4555 -10.4172 -10.4172 -10.3340 -10.3340 -10.1780 -10.1780 -10.1746 -10.1746 -0.0160 -0.0160 0.2160 0.2160 0.3689 0.3689 0.7058 0.7058 1.2920 1.2920 1.5500 1.5500 1.9450 1.9450 3.7753 3.7753 3.9526 3.9526 4.5528 4.5528 4.8428 4.8428 5.2121 5.2121 5.3372 5.3372 5.9558 5.9558 6.1672 6.1672 6.5496 6.5496 7.0335 7.0335 7.2778 7.2778 13.5953 13.5953 14.2666 14.2666 15.6642 15.6642 18.3510 18.3510 18.6831 18.6831 k = 0.1512-0.1257-0.0833 ( 2898 PWs) bands (ev): -13.0103 -13.0103 -11.4514 -11.4514 -10.4370 -10.4370 -10.3401 -10.3401 -10.1847 -10.1847 -10.1814 -10.1814 0.0044 0.0044 0.2188 0.2188 0.3518 0.3518 0.7046 0.7046 1.3301 1.3301 1.5469 1.5469 1.9828 1.9828 3.8403 3.8403 3.9800 3.9800 4.4956 4.4956 4.8134 4.8134 5.1953 5.1953 5.3487 5.3487 5.9158 5.9158 6.1566 6.1566 6.5599 6.5599 6.9928 6.9928 7.2702 7.2702 13.6086 13.6086 14.3307 14.3307 15.6204 15.6204 18.2904 18.2904 18.7265 18.7265 k = 0.1628-0.1354-0.0897 ( 2897 PWs) bands (ev): -12.9909 -12.9909 -11.4473 -11.4473 -10.4579 -10.4579 -10.3465 -10.3465 -10.1918 -10.1918 -10.1888 -10.1888 0.0270 0.0270 0.2193 0.2193 0.3359 0.3359 0.7075 0.7075 1.3564 1.3564 1.5571 1.5571 2.0225 2.0225 3.9077 3.9077 4.0009 4.0009 4.4423 4.4423 4.7829 4.7829 5.1756 5.1756 5.3585 5.3585 5.8756 5.8756 6.1452 6.1452 6.5695 6.5695 6.9521 6.9521 7.2622 7.2622 13.6231 13.6231 14.3979 14.3979 15.5749 15.5749 18.2318 18.2318 18.7717 18.7717 k = 0.1744-0.1451-0.0961 ( 2891 PWs) bands (ev): -12.9702 -12.9702 -11.4433 -11.4433 -10.4798 -10.4798 -10.3531 -10.3531 -10.1993 -10.1993 -10.1968 -10.1968 0.0517 0.0517 0.2173 0.2173 0.3211 0.3211 0.7150 0.7150 1.3683 1.3683 1.5836 1.5836 2.0638 2.0638 3.9769 3.9769 4.0112 4.0112 4.3969 4.3969 4.7512 4.7512 5.1535 5.1535 5.3659 5.3659 5.8361 5.8361 6.1331 6.1331 6.5781 6.5781 6.9122 6.9122 7.2540 7.2540 13.6388 13.6388 14.4681 14.4681 15.5280 15.5280 18.1756 18.1756 18.8181 18.8181 k = 0.1860-0.1547-0.1025 ( 2895 PWs) bands (ev): -12.9481 -12.9481 -11.4395 -11.4395 -10.5025 -10.5025 -10.3598 -10.3598 -10.2071 -10.2071 -10.2054 -10.2054 0.0786 0.0786 0.2127 0.2127 0.3073 0.3073 0.7272 0.7272 1.3689 1.3689 1.6233 1.6233 2.1064 2.1064 4.0044 4.0044 4.0483 4.0483 4.3640 4.3640 4.7186 4.7186 5.1294 5.1294 5.3704 5.3704 5.7985 5.7985 6.1201 6.1201 6.5848 6.5848 6.8744 6.8744 7.2454 7.2454 13.6556 13.6556 14.5408 14.5408 15.4798 15.4798 18.1218 18.1218 18.8656 18.8656 k = 0.1977-0.1644-0.1089 ( 2895 PWs) bands (ev): -12.9247 -12.9247 -11.4361 -11.4361 -10.5258 -10.5258 -10.3668 -10.3668 -10.2153 -10.2153 -10.2145 -10.2145 0.1077 0.1077 0.2057 0.2057 0.2943 0.2943 0.7442 0.7442 1.3635 1.3635 1.6711 1.6711 2.1502 2.1502 3.9788 3.9788 4.1195 4.1195 4.3466 4.3466 4.6851 4.6851 5.1039 5.1039 5.3712 5.3712 5.7638 5.7638 6.1063 6.1063 6.5885 6.5885 6.8400 6.8400 7.2365 7.2365 13.6735 13.6735 14.6158 14.6158 15.4306 15.4306 18.0707 18.0707 18.9136 18.9136 k = 0.2093-0.1741-0.1153 ( 2898 PWs) bands (ev): -12.9000 -12.9000 -11.4331 -11.4331 -10.5495 -10.5495 -10.3739 -10.3739 -10.2245 -10.2245 -10.2233 -10.2233 0.1389 0.1389 0.1968 0.1968 0.2819 0.2819 0.7657 0.7657 1.3560 1.3560 1.7234 1.7234 2.1949 2.1949 3.9346 3.9346 4.1903 4.1903 4.3426 4.3426 4.6514 4.6514 5.0776 5.0776 5.3676 5.3676 5.7336 5.7336 6.0917 6.0917 6.5877 6.5877 6.8110 6.8110 7.2275 7.2275 13.6923 13.6923 14.6930 14.6930 15.3806 15.3806 18.0224 18.0224 18.9617 18.9618 k = 0.2209-0.1838-0.1217 ( 2898 PWs) bands (ev): -12.8740 -12.8740 -11.4307 -11.4307 -10.5734 -10.5734 -10.3812 -10.3812 -10.2346 -10.2346 -10.2319 -10.2319 0.1701 0.1701 0.1883 0.1883 0.2700 0.2700 0.7916 0.7916 1.3485 1.3485 1.7780 1.7780 2.2402 2.2402 3.8765 3.8765 4.2586 4.2586 4.3465 4.3465 4.6189 4.6189 5.0515 5.0515 5.3587 5.3587 5.7089 5.7089 6.0763 6.0763 6.5805 6.5805 6.7894 6.7894 7.2183 7.2183 13.7121 13.7121 14.7722 14.7722 15.3301 15.3301 17.9771 17.9771 19.0094 19.0094 k = 0.2326-0.1934-0.1281 ( 2894 PWs) bands (ev): -12.8468 -12.8468 -11.4292 -11.4292 -10.5973 -10.5973 -10.3886 -10.3886 -10.2452 -10.2452 -10.2406 -10.2406 0.1706 0.1706 0.2116 0.2116 0.2584 0.2584 0.8215 0.8215 1.3423 1.3423 1.8337 1.8337 2.2859 2.2859 3.8092 3.8092 4.3203 4.3203 4.3528 4.3528 4.5912 4.5912 5.0264 5.0264 5.3446 5.3446 5.6904 5.6904 6.0603 6.0603 6.5662 6.5662 6.7765 6.7765 7.2090 7.2090 13.7326 13.7326 14.8530 14.8530 15.2791 15.2791 17.9350 17.9350 19.0105 19.0105 k = 0.2442-0.2031-0.1345 ( 2902 PWs) bands (ev): -12.8184 -12.8184 -11.4287 -11.4287 -10.6209 -10.6209 -10.3961 -10.3961 -10.2562 -10.2562 -10.2493 -10.2493 0.1577 0.1577 0.2470 0.2470 0.2496 0.2496 0.8549 0.8549 1.3382 1.3382 1.8897 1.8897 2.3317 2.3317 3.7358 3.7358 4.3569 4.3569 4.3660 4.3660 4.5775 4.5775 5.0035 5.0035 5.3258 5.3258 5.6781 5.6781 6.0436 6.0436 6.5452 6.5452 6.7717 6.7717 7.1997 7.1997 13.7537 13.7537 14.9354 14.9354 15.2278 15.2278 17.8961 17.8961 18.9478 18.9478 k = 0.2558-0.2128-0.1409 ( 2903 PWs) bands (ev): -12.7888 -12.7888 -11.4295 -11.4295 -10.6439 -10.6439 -10.4038 -10.4038 -10.2676 -10.2676 -10.2581 -10.2581 0.1437 0.1437 0.2355 0.2355 0.2906 0.2906 0.8914 0.8914 1.3366 1.3366 1.9456 1.9456 2.3773 2.3773 3.6584 3.6584 4.3566 4.3566 4.3798 4.3798 4.5922 4.5922 4.9836 4.9836 5.3037 5.3037 5.6714 5.6714 6.0264 6.0264 6.5196 6.5196 6.7733 6.7733 7.1905 7.1905 13.7755 13.7755 15.0191 15.0191 15.1764 15.1764 17.8607 17.8607 18.8780 18.8780 k = 0.2674-0.2224-0.1474 ( 2901 PWs) bands (ev): -12.7581 -12.7581 -11.4319 -11.4319 -10.6661 -10.6661 -10.4117 -10.4117 -10.2791 -10.2791 -10.2670 -10.2670 0.1292 0.1292 0.2240 0.2240 0.3342 0.3342 0.9308 0.9308 1.3379 1.3379 2.0007 2.0007 2.4224 2.4224 3.5783 3.5783 4.3493 4.3493 4.3624 4.3624 4.6347 4.6347 4.9677 4.9677 5.2802 5.2802 5.6692 5.6692 6.0090 6.0090 6.4914 6.4914 6.7794 6.7794 7.1813 7.1813 13.7977 13.7977 15.1040 15.1040 15.1251 15.1251 17.8288 17.8288 18.8023 18.8023 k = 0.2791-0.2321-0.1538 ( 2895 PWs) bands (ev): -12.7262 -12.7262 -11.4361 -11.4361 -10.6870 -10.6870 -10.4198 -10.4198 -10.2908 -10.2908 -10.2758 -10.2758 0.1147 0.1147 0.2123 0.2123 0.3803 0.3803 0.9727 0.9727 1.3422 1.3422 2.0546 2.0546 2.4667 2.4667 3.4965 3.4965 4.3263 4.3263 4.3359 4.3359 4.6895 4.6895 4.9559 4.9559 5.2576 5.2576 5.6704 5.6704 5.9915 5.9915 6.4620 6.4620 6.7885 6.7885 7.1722 7.1722 13.8203 13.8203 15.0740 15.0740 15.1900 15.1900 17.8006 17.8006 18.7219 18.7219 k = 0.2907-0.2418-0.1602 ( 2891 PWs) bands (ev): -12.6933 -12.6933 -11.4425 -11.4425 -10.7063 -10.7063 -10.4283 -10.4283 -10.3025 -10.3025 -10.2845 -10.2845 0.1004 0.1004 0.2003 0.2003 0.4289 0.4289 1.0167 1.0167 1.3497 1.3497 2.1068 2.1068 2.5098 2.5098 3.4137 3.4137 4.2841 4.2841 4.3130 4.3130 4.7458 4.7458 4.9480 4.9480 5.2385 5.2385 5.6742 5.6742 5.9741 5.9741 6.4325 6.4325 6.7995 6.7995 7.1633 7.1633 13.8432 13.8432 15.0232 15.0232 15.2769 15.2769 17.7761 17.7761 18.6376 18.6376 k = 0.3023-0.2515-0.1666 ( 2892 PWs) bands (ev): -12.6593 -12.6593 -11.4512 -11.4512 -10.7237 -10.7237 -10.4371 -10.4371 -10.3140 -10.3140 -10.2932 -10.2932 0.0865 0.0865 0.1881 0.1881 0.4798 0.4798 1.0625 1.0625 1.3603 1.3603 2.1566 2.1566 2.5513 2.5513 3.3305 3.3305 4.2376 4.2376 4.2834 4.2834 4.7974 4.7974 4.9433 4.9433 5.2261 5.2261 5.6798 5.6798 5.9570 5.9570 6.4034 6.4034 6.8119 6.8119 7.1546 7.1546 13.8663 13.8663 14.9728 14.9728 15.3647 15.3647 17.7556 17.7556 18.5502 18.5502 k = 0.3140-0.2611-0.1730 ( 2894 PWs) bands (ev): -12.6243 -12.6243 -11.4626 -11.4626 -10.7389 -10.7389 -10.4464 -10.4464 -10.3253 -10.3253 -10.3017 -10.3017 0.0732 0.0732 0.1756 0.1756 0.5332 0.5332 1.1099 1.1099 1.3741 1.3741 2.2035 2.2035 2.5909 2.5909 3.2477 3.2477 4.1891 4.1891 4.2476 4.2476 4.8393 4.8393 4.9408 4.9408 5.2242 5.2242 5.6866 5.6866 5.9407 5.9407 6.3748 6.3748 6.8252 6.8252 7.1461 7.1461 13.8895 13.8895 14.9231 14.9231 15.4531 15.4531 17.7389 17.7389 18.4601 18.4601 k = 0.3256-0.2708-0.1794 ( 2893 PWs) bands (ev): -12.5883 -12.5883 -11.4769 -11.4769 -10.7517 -10.7517 -10.4563 -10.4563 -10.3360 -10.3360 -10.3101 -10.3101 0.0606 0.0606 0.1628 0.1628 0.5889 0.5889 1.1584 1.1584 1.3908 1.3908 2.2464 2.2464 2.6281 2.6281 3.1662 3.1662 4.1399 4.1399 4.2070 4.2070 4.8677 4.8677 4.9393 4.9393 5.2363 5.2363 5.6942 5.6942 5.9252 5.9252 6.3470 6.3470 6.8391 6.8391 7.1379 7.1379 13.9128 13.9128 14.8740 14.8740 15.5422 15.5422 17.7264 17.7264 18.3681 18.3681 k = 0.3372-0.2805-0.1858 ( 2898 PWs) bands (ev): -12.5514 -12.5514 -11.4940 -11.4940 -10.7618 -10.7618 -10.4669 -10.4669 -10.3461 -10.3461 -10.3182 -10.3182 0.0489 0.0489 0.1499 0.1499 0.6470 0.6470 1.2079 1.2079 1.4102 1.4102 2.2841 2.2841 2.6625 2.6625 3.0870 3.0870 4.0908 4.0908 4.1629 4.1629 4.8815 4.8815 4.9379 4.9379 5.2633 5.2633 5.7024 5.7024 5.9108 5.9108 6.3198 6.3198 6.8535 6.8535 7.1299 7.1299 13.9361 13.9361 14.8258 14.8258 15.6318 15.6318 17.7179 17.7179 18.2745 18.2745 k = 0.3488-0.2901-0.1922 ( 2900 PWs) bands (ev): -12.5137 -12.5137 -11.5142 -11.5142 -10.7693 -10.7693 -10.4783 -10.4783 -10.3554 -10.3554 -10.3261 -10.3261 0.0382 0.0382 0.1369 0.1369 0.7073 0.7073 1.2580 1.2580 1.4322 1.4322 2.3149 2.3149 2.6937 2.6937 3.0119 3.0119 4.0428 4.0428 4.1166 4.1166 4.8830 4.8830 4.9357 4.9357 5.3026 5.3026 5.7109 5.7109 5.8976 5.8976 6.2933 6.2933 6.8681 6.8681 7.1223 7.1223 13.9593 13.9593 14.7785 14.7785 15.7219 15.7219 17.7136 17.7136 18.1797 18.1797 k = 0.3605-0.2998-0.1986 ( 2901 PWs) bands (ev): -12.4751 -12.4751 -11.5373 -11.5373 -10.7740 -10.7740 -10.4905 -10.4905 -10.3638 -10.3638 -10.3338 -10.3338 0.0285 0.0285 0.1239 0.1239 0.7698 0.7698 1.3082 1.3082 1.4563 1.4563 2.3362 2.3362 2.7211 2.7211 2.9431 2.9431 3.9965 3.9965 4.0692 4.0692 4.8764 4.8764 4.9321 4.9321 5.3501 5.3501 5.7196 5.7196 5.8857 5.8857 6.2672 6.2672 6.8828 6.8828 7.1149 7.1149 13.9826 13.9826 14.7323 14.7323 15.8125 15.8125 17.7135 17.7135 18.0841 18.0841 k = 0.3721-0.3095-0.2050 ( 2903 PWs) bands (ev): -12.4358 -12.4358 -11.5633 -11.5633 -10.7761 -10.7761 -10.5035 -10.5035 -10.3712 -10.3712 -10.3411 -10.3411 0.0198 0.0198 0.1110 0.1110 0.8344 0.8344 1.3581 1.3581 1.4822 1.4822 2.3449 2.3449 2.7444 2.7444 2.8835 2.8835 3.9527 3.9527 4.0220 4.0220 4.8652 4.8652 4.9268 4.9268 5.4021 5.4021 5.7283 5.7283 5.8751 5.8751 6.2414 6.2414 6.8975 6.8975 7.1078 7.1078 14.0058 14.0058 14.6872 14.6872 15.9035 15.9035 17.7175 17.7175 17.9878 17.9878 k = 0.3837-0.3192-0.2114 ( 2903 PWs) bands (ev): -12.3957 -12.3957 -11.5919 -11.5919 -10.7757 -10.7757 -10.5173 -10.5173 -10.3777 -10.3777 -10.3481 -10.3481 0.0123 0.0123 0.0983 0.0983 0.9010 0.9010 1.4074 1.4074 1.5094 1.5094 2.3376 2.3376 2.7633 2.7633 2.8365 2.8365 3.9122 3.9122 3.9759 3.9759 4.8520 4.8520 4.9197 4.9197 5.4561 5.4561 5.7370 5.7370 5.8657 5.8657 6.2158 6.2158 6.9121 6.9121 7.1009 7.1009 14.0291 14.0291 14.6433 14.6433 15.9948 15.9948 17.7257 17.7257 17.8910 17.8910 k = 0.3953-0.3288-0.2178 ( 2898 PWs) bands (ev): -12.3551 -12.3551 -11.6230 -11.6230 -10.7729 -10.7729 -10.5319 -10.5319 -10.3831 -10.3831 -10.3547 -10.3547 0.0060 0.0060 0.0859 0.0859 0.9696 0.9696 1.4554 1.4554 1.5373 1.5373 2.3121 2.3121 2.7776 2.7776 2.8040 2.8040 3.8753 3.8753 3.9320 3.9320 4.8386 4.8386 4.9108 4.9108 5.5103 5.5103 5.7455 5.7455 5.8575 5.8575 6.1901 6.1901 6.9264 6.9264 7.0943 7.0943 14.0524 14.0524 14.6007 14.6007 16.0865 16.0865 17.7379 17.7379 17.7941 17.7941 k = 0.4070-0.3385-0.2242 ( 2900 PWs) bands (ev): -12.3138 -12.3138 -11.6562 -11.6562 -10.7679 -10.7679 -10.5470 -10.5470 -10.3875 -10.3875 -10.3610 -10.3610 0.0009 0.0009 0.0739 0.0739 1.0400 1.0400 1.5016 1.5016 1.5654 1.5654 2.2693 2.2693 2.7832 2.7832 2.7891 2.7891 3.8426 3.8426 3.8911 3.8911 4.8259 4.8259 4.9003 4.9003 5.5639 5.5639 5.7538 5.7538 5.8504 5.8504 6.1641 6.1641 6.9403 6.9403 7.0877 7.0877 14.0759 14.0759 14.5595 14.5595 16.1786 16.1786 17.6970 17.6970 17.7543 17.7543 k = 0.4186-0.3482-0.2306 ( 2901 PWs) bands (ev): -12.2720 -12.2720 -11.6915 -11.6915 -10.7610 -10.7610 -10.5626 -10.5626 -10.3911 -10.3911 -10.3668 -10.3668 -0.0030 -0.0030 0.0624 0.0624 1.1122 1.1122 1.5454 1.5454 1.5929 1.5929 2.2126 2.2126 2.7750 2.7750 2.7937 2.7937 3.8142 3.8142 3.8540 3.8540 4.8147 4.8147 4.8885 4.8885 5.6160 5.6160 5.7618 5.7618 5.8440 5.8440 6.1377 6.1377 6.9538 6.9538 7.0813 7.0813 14.0996 14.0996 14.5197 14.5197 16.2710 16.2710 17.6000 17.6000 17.7746 17.7746 k = 0.4302-0.3578-0.2370 ( 2901 PWs) bands (ev): -12.2298 -12.2298 -11.7284 -11.7284 -10.7524 -10.7524 -10.5786 -10.5786 -10.3937 -10.3937 -10.3722 -10.3722 -0.0057 -0.0057 0.0516 0.0516 1.1859 1.1859 1.5860 1.5860 1.6189 1.6189 2.1464 2.1464 2.7719 2.7719 2.7956 2.7956 3.7902 3.7902 3.8214 3.8214 4.8056 4.8056 4.8757 4.8757 5.6662 5.6662 5.7696 5.7696 5.8383 5.8383 6.1107 6.1107 6.9668 6.9668 7.0748 7.0748 14.1236 14.1236 14.4814 14.4814 16.3637 16.3637 17.5031 17.5031 17.7988 17.7988 k = 0.4419-0.3675-0.2435 ( 2899 PWs) bands (ev): -12.1873 -12.1873 -11.7667 -11.7667 -10.7423 -10.7423 -10.5949 -10.5949 -10.3956 -10.3956 -10.3771 -10.3771 -0.0071 -0.0071 0.0414 0.0414 1.2609 1.2609 1.6228 1.6228 1.6425 1.6425 2.0740 2.0740 2.7715 2.7715 2.7946 2.7946 3.7706 3.7706 3.7937 3.7937 4.7988 4.7988 4.8624 4.8624 5.7142 5.7142 5.7772 5.7772 5.8330 5.8330 6.0827 6.0827 6.9792 6.9792 7.0683 7.0683 14.1481 14.1481 14.4446 14.4446 16.4567 16.4567 17.4064 17.4064 17.8267 17.8267 k = 0.4535-0.3772-0.2499 ( 2897 PWs) bands (ev): -12.1445 -12.1445 -11.8063 -11.8063 -10.7308 -10.7308 -10.6112 -10.6112 -10.3966 -10.3966 -10.3815 -10.3815 -0.0073 -0.0073 0.0320 0.0320 1.3371 1.3371 1.6551 1.6551 1.6624 1.6624 1.9984 1.9984 2.7722 2.7722 2.7916 2.7916 3.7550 3.7550 3.7712 3.7712 4.7947 4.7947 4.8491 4.8491 5.7593 5.7593 5.7852 5.7852 5.8280 5.8280 6.0537 6.0537 6.9909 6.9909 7.0615 7.0615 14.1731 14.1731 14.4092 14.4092 16.5501 16.5501 17.3100 17.3100 17.8582 17.8582 k = 0.4651-0.3869-0.2563 ( 2903 PWs) bands (ev): -12.1015 -12.1015 -11.8469 -11.8469 -10.7182 -10.7182 -10.6275 -10.6275 -10.3970 -10.3970 -10.3854 -10.3854 -0.0063 -0.0063 0.0235 0.0235 1.4140 1.4140 1.6770 1.6770 1.6824 1.6824 1.9218 1.9218 2.7730 2.7730 2.7876 2.7876 3.7433 3.7433 3.7538 3.7538 4.7934 4.7934 4.8363 4.8363 5.7880 5.7880 5.8069 5.8069 5.8232 5.8232 6.0235 6.0235 7.0019 7.0019 7.0545 7.0545 14.1989 14.1989 14.3753 14.3753 16.6439 16.6439 17.2138 17.2138 17.8931 17.8931 k = 0.4767-0.3965-0.2627 ( 2905 PWs) bands (ev): -12.0585 -12.0585 -11.8883 -11.8883 -10.7046 -10.7046 -10.6437 -10.6437 -10.3966 -10.3966 -10.3888 -10.3888 -0.0041 -0.0041 0.0159 0.0159 1.4908 1.4908 1.6833 1.6833 1.7046 1.7046 1.8474 1.8474 2.7739 2.7739 2.7834 2.7834 3.7353 3.7353 3.7415 3.7415 4.7947 4.7947 4.8244 4.8244 5.7957 5.7957 5.8180 5.8180 5.8472 5.8472 5.9917 5.9917 7.0122 7.0122 7.0471 7.0471 14.2255 14.2255 14.3428 14.3428 16.7380 16.7380 17.1179 17.1179 17.9313 17.9313 k = 0.4884-0.4062-0.2691 ( 2909 PWs) bands (ev): -12.0155 -12.0155 -11.9303 -11.9303 -10.6903 -10.6903 -10.6597 -10.6597 -10.3956 -10.3956 -10.3917 -10.3917 -0.0008 -0.0008 0.0093 0.0093 1.5655 1.5655 1.6733 1.6733 1.7231 1.7231 1.7831 1.7831 2.7751 2.7751 2.7797 2.7797 3.7310 3.7310 3.7338 3.7338 4.7988 4.7988 4.8139 4.8139 5.8019 5.8019 5.8130 5.8130 5.8861 5.8861 5.9584 5.9584 7.0219 7.0219 7.0393 7.0393 14.2531 14.2531 14.3116 14.3116 16.8324 16.8324 17.0224 17.0224 17.9726 17.9726 k = 0.5000-0.4159-0.2755 ( 2910 PWs) bands (ev): -11.9727 -11.9727 -11.9727 -11.9727 -10.6752 -10.6752 -10.6752 -10.6752 -10.3939 -10.3939 -10.3939 -10.3939 0.0037 0.0037 0.0037 0.0037 1.6320 1.6320 1.6320 1.6320 1.7437 1.7437 1.7437 1.7437 2.7770 2.7770 2.7770 2.7770 3.7304 3.7304 3.7304 3.7304 4.8052 4.8052 4.8052 4.8052 5.8076 5.8076 5.8076 5.8076 5.9232 5.9232 5.9232 5.9232 7.0309 7.0309 7.0309 7.0309 14.2818 14.2818 14.2818 14.2818 16.9272 16.9272 16.9272 16.9272 18.0169 18.0169 k = 0.5000-0.4159-0.2755 ( 2910 PWs) bands (ev): -11.9727 -11.9727 -11.9727 -11.9727 -10.6752 -10.6752 -10.6752 -10.6752 -10.3939 -10.3939 -10.3939 -10.3939 0.0037 0.0037 0.0037 0.0037 1.6320 1.6320 1.6320 1.6320 1.7437 1.7437 1.7437 1.7437 2.7770 2.7770 2.7770 2.7770 3.7304 3.7304 3.7304 3.7304 4.8052 4.8052 4.8052 4.8052 5.8076 5.8076 5.8076 5.8076 5.9232 5.9232 5.9232 5.9232 7.0309 7.0309 7.0309 7.0309 14.2818 14.2818 14.2818 14.2818 16.9272 16.9272 16.9272 16.9272 18.0169 18.0169 k = 0.5000-0.4067-0.2894 ( 2904 PWs) bands (ev): -11.9722 -11.9722 -11.9722 -11.9722 -10.6755 -10.6755 -10.6755 -10.6755 -10.3944 -10.3944 -10.3944 -10.3944 0.0058 0.0058 0.0058 0.0058 1.6278 1.6278 1.6292 1.6292 1.7450 1.7450 1.7465 1.7465 2.7754 2.7754 2.7758 2.7758 3.7314 3.7314 3.7321 3.7321 4.8048 4.8048 4.8048 4.8048 5.8039 5.8039 5.8069 5.8069 5.9242 5.9242 5.9271 5.9271 7.0307 7.0307 7.0310 7.0310 14.2826 14.2826 14.2826 14.2826 16.9264 16.9264 16.9265 16.9265 18.0169 18.0169 k = 0.5000-0.3975-0.3033 ( 2904 PWs) bands (ev): -11.9708 -11.9708 -11.9708 -11.9708 -10.6761 -10.6761 -10.6761 -10.6761 -10.3959 -10.3959 -10.3959 -10.3959 0.0121 0.0121 0.0122 0.0122 1.6173 1.6173 1.6198 1.6198 1.7498 1.7498 1.7524 1.7524 2.7711 2.7711 2.7718 2.7718 3.7350 3.7350 3.7365 3.7365 4.8034 4.8034 4.8036 4.8036 5.7963 5.7963 5.8018 5.8018 5.9298 5.9298 5.9352 5.9352 7.0307 7.0307 7.0313 7.0313 14.2850 14.2850 14.2851 14.2851 16.9240 16.9240 16.9242 16.9242 18.0167 18.0168 k = 0.5000-0.3883-0.3172 ( 2904 PWs) bands (ev): -11.9683 -11.9683 -11.9683 -11.9683 -10.6773 -10.6773 -10.6773 -10.6773 -10.3984 -10.3984 -10.3983 -10.3983 0.0226 0.0226 0.0227 0.0227 1.6020 1.6020 1.6051 1.6051 1.7569 1.7569 1.7602 1.7602 2.7643 2.7643 2.7653 2.7653 3.7411 3.7411 3.7433 3.7433 4.8012 4.8012 4.8014 4.8014 5.7860 5.7860 5.7931 5.7931 5.9394 5.9394 5.9464 5.9464 7.0306 7.0306 7.0315 7.0315 14.2891 14.2891 14.2892 14.2892 16.9201 16.9201 16.9205 16.9205 18.0164 18.0164 k = 0.5000-0.3791-0.3311 ( 2908 PWs) bands (ev): -11.9650 -11.9650 -11.9649 -11.9649 -10.6791 -10.6791 -10.6791 -10.6791 -10.4016 -10.4016 -10.4016 -10.4016 0.0372 0.0372 0.0374 0.0374 1.5829 1.5829 1.5863 1.5863 1.7652 1.7652 1.7689 1.7689 2.7550 2.7550 2.7564 2.7564 3.7496 3.7496 3.7524 3.7524 4.7982 4.7982 4.7985 4.7985 5.7737 5.7737 5.7819 5.7819 5.9518 5.9518 5.9598 5.9598 7.0306 7.0306 7.0318 7.0318 14.2947 14.2947 14.2949 14.2949 16.9149 16.9149 16.9154 16.9154 18.0159 18.0159 k = 0.5000-0.3698-0.3450 ( 2906 PWs) bands (ev): -11.9606 -11.9606 -11.9606 -11.9606 -10.6815 -10.6815 -10.6815 -10.6815 -10.4056 -10.4056 -10.4056 -10.4056 0.0559 0.0559 0.0561 0.0561 1.5606 1.5606 1.5643 1.5643 1.7739 1.7739 1.7778 1.7778 2.7437 2.7437 2.7453 2.7453 3.7600 3.7600 3.7635 3.7635 4.7943 4.7943 4.7947 4.7947 5.7599 5.7599 5.7687 5.7687 5.9663 5.9663 5.9749 5.9749 7.0306 7.0306 7.0321 7.0321 14.3019 14.3019 14.3021 14.3021 16.9084 16.9084 16.9091 16.9091 18.0150 18.0151 k = 0.5000-0.3606-0.3589 ( 2898 PWs) bands (ev): -11.9553 -11.9553 -11.9553 -11.9553 -10.6847 -10.6847 -10.6847 -10.6847 -10.4101 -10.4101 -10.4101 -10.4101 0.0786 0.0786 0.0788 0.0788 1.5358 1.5358 1.5395 1.5395 1.7826 1.7826 1.7866 1.7866 2.7306 2.7306 2.7324 2.7324 3.7723 3.7723 3.7764 3.7764 4.7897 4.7897 4.7901 4.7901 5.7449 5.7449 5.7541 5.7541 5.9823 5.9823 5.9912 5.9912 7.0305 7.0305 7.0323 7.0323 14.3105 14.3105 14.3108 14.3108 16.9009 16.9009 16.9017 16.9017 18.0138 18.0138 k = 0.5000-0.3514-0.3728 ( 2904 PWs) bands (ev): -11.9491 -11.9491 -11.9491 -11.9491 -10.6889 -10.6889 -10.6889 -10.6889 -10.4150 -10.4150 -10.4149 -10.4149 0.1051 0.1051 0.1054 0.1054 1.5087 1.5087 1.5124 1.5124 1.7910 1.7910 1.7950 1.7950 2.7160 2.7160 2.7181 2.7181 3.7859 3.7859 3.7905 3.7905 4.7842 4.7842 4.7847 4.7847 5.7290 5.7290 5.7383 5.7383 5.9995 5.9995 6.0086 6.0086 7.0305 7.0305 7.0325 7.0325 14.3206 14.3206 14.3209 14.3209 16.8925 16.8925 16.8934 16.8934 18.0118 18.0118 k = 0.5000-0.3422-0.3867 ( 2904 PWs) bands (ev): -11.9421 -11.9421 -11.9420 -11.9420 -10.6942 -10.6942 -10.6942 -10.6942 -10.4199 -10.4199 -10.4198 -10.4198 0.1354 0.1354 0.1358 0.1358 1.4797 1.4797 1.4832 1.4832 1.7988 1.7988 1.8028 1.8028 2.7005 2.7005 2.7027 2.7027 3.8005 3.8005 3.8057 3.8057 4.7781 4.7781 4.7787 4.7787 5.7121 5.7121 5.7215 5.7215 6.0177 6.0177 6.0267 6.0267 7.0303 7.0303 7.0327 7.0327 14.3319 14.3319 14.3323 14.3323 16.8834 16.8834 16.8845 16.8845 18.0091 18.0091 k = 0.5000-0.3330-0.4006 ( 2908 PWs) bands (ev): -11.9341 -11.9341 -11.9341 -11.9341 -10.7008 -10.7008 -10.7008 -10.7008 -10.4247 -10.4247 -10.4246 -10.4246 0.1693 0.1693 0.1698 0.1698 1.4488 1.4488 1.4522 1.4522 1.8060 1.8060 1.8099 1.8099 2.6843 2.6843 2.6866 2.6866 3.8159 3.8159 3.8215 3.8215 4.7713 4.7713 4.7720 4.7720 5.6943 5.6943 5.7038 5.7038 6.0364 6.0364 6.0455 6.0455 7.0301 7.0301 7.0327 7.0327 14.3444 14.3444 14.3448 14.3448 16.8740 16.8740 16.8751 16.8751 18.0055 18.0055 k = 0.5000-0.3238-0.4145 ( 2908 PWs) bands (ev): -11.9254 -11.9254 -11.9254 -11.9254 -10.7088 -10.7088 -10.7088 -10.7088 -10.4292 -10.4292 -10.4290 -10.4290 0.2067 0.2067 0.2071 0.2071 1.4165 1.4165 1.4198 1.4198 1.8124 1.8124 1.8161 1.8161 2.6680 2.6680 2.6703 2.6703 3.8316 3.8316 3.8377 3.8377 4.7638 4.7638 4.7646 4.7646 5.6758 5.6758 5.6853 5.6853 6.0557 6.0557 6.0646 6.0646 7.0297 7.0297 7.0326 7.0326 14.3580 14.3580 14.3585 14.3585 16.8643 16.8643 16.8656 16.8656 18.0008 18.0008 k = 0.5000-0.3146-0.4284 ( 2908 PWs) bands (ev): -11.9159 -11.9159 -11.9158 -11.9158 -10.7184 -10.7184 -10.7184 -10.7184 -10.4330 -10.4330 -10.4328 -10.4328 0.2471 0.2471 0.2477 0.2477 1.3830 1.3830 1.3861 1.3861 1.8177 1.8177 1.8213 1.8213 2.6519 2.6519 2.6543 2.6543 3.8473 3.8473 3.8537 3.8537 4.7558 4.7558 4.7568 4.7568 5.6565 5.6565 5.6660 5.6660 6.0752 6.0752 6.0840 6.0840 7.0292 7.0292 7.0323 7.0323 14.3726 14.3726 14.3731 14.3731 16.8547 16.8547 16.8562 16.8562 17.9950 17.9950 k = 0.5000-0.3054-0.4422 ( 2908 PWs) bands (ev): -11.9056 -11.9056 -11.9056 -11.9056 -10.7297 -10.7297 -10.7297 -10.7297 -10.4359 -10.4359 -10.4358 -10.4358 0.2905 0.2905 0.2912 0.2912 1.3486 1.3486 1.3515 1.3515 1.8218 1.8218 1.8253 1.8253 2.6366 2.6366 2.6390 2.6390 3.8626 3.8626 3.8694 3.8694 4.7473 4.7473 4.7484 4.7484 5.6366 5.6366 5.6461 5.6461 6.0948 6.0948 6.1035 6.1035 7.0283 7.0283 7.0317 7.0317 14.3880 14.3880 14.3885 14.3885 16.8455 16.8455 16.8470 16.8470 17.9879 17.9879 k = 0.5000-0.2962-0.4561 ( 2910 PWs) bands (ev): -11.8947 -11.8947 -11.8947 -11.8947 -10.7427 -10.7427 -10.7427 -10.7427 -10.4380 -10.4380 -10.4378 -10.4378 0.3365 0.3365 0.3372 0.3372 1.3136 1.3136 1.3163 1.3163 1.8244 1.8244 1.8278 1.8278 2.6224 2.6224 2.6248 2.6248 3.8773 3.8773 3.8843 3.8843 4.7382 4.7382 4.7395 4.7395 5.6161 5.6161 5.6256 5.6256 6.1143 6.1143 6.1229 6.1229 7.0272 7.0272 7.0307 7.0307 14.4040 14.4040 14.4046 14.4046 16.8368 16.8368 16.8385 16.8385 17.9795 17.9795 k = 0.5000-0.2870-0.4700 ( 2902 PWs) bands (ev): -11.8832 -11.8832 -11.8832 -11.8832 -10.7574 -10.7574 -10.7574 -10.7574 -10.4390 -10.4390 -10.4388 -10.4388 0.3846 0.3846 0.3854 0.3854 1.2786 1.2786 1.2810 1.2810 1.8254 1.8254 1.8286 1.8286 2.6099 2.6099 2.6123 2.6123 3.8910 3.8910 3.8983 3.8983 4.7288 4.7288 4.7303 4.7303 5.5953 5.5953 5.6048 5.6048 6.1335 6.1335 6.1419 6.1419 7.0256 7.0256 7.0294 7.0294 14.4206 14.4206 14.4211 14.4211 16.8290 16.8290 16.8307 16.8307 17.9698 17.9698 k = 0.5000-0.2778-0.4839 ( 2902 PWs) bands (ev): -11.8712 -11.8712 -11.8711 -11.8711 -10.7737 -10.7737 -10.7737 -10.7737 -10.4388 -10.4388 -10.4387 -10.4387 0.4343 0.4343 0.4353 0.4353 1.2440 1.2440 1.2461 1.2461 1.8245 1.8245 1.8275 1.8275 2.5995 2.5995 2.6018 2.6018 3.9035 3.9035 3.9109 3.9109 4.7191 4.7191 4.7208 4.7208 5.5742 5.5742 5.5837 5.5837 6.1522 6.1522 6.1605 6.1605 7.0236 7.0236 7.0276 7.0276 14.4374 14.4374 14.4380 14.4380 16.8221 16.8221 16.8240 16.8240 17.9590 17.9590 k = 0.5000-0.2686-0.4978 ( 2900 PWs) bands (ev): -11.8587 -11.8587 -11.8587 -11.8587 -10.7914 -10.7914 -10.7914 -10.7914 -10.4376 -10.4376 -10.4375 -10.4375 0.4849 0.4849 0.4860 0.4860 1.2104 1.2104 1.2123 1.2123 1.8216 1.8216 1.8244 1.8244 2.5915 2.5915 2.5937 2.5937 3.9144 3.9144 3.9220 3.9220 4.7090 4.7090 4.7110 4.7110 5.5529 5.5529 5.5625 5.5625 6.1703 6.1703 6.1784 6.1784 7.0210 7.0210 7.0252 7.0252 14.4545 14.4545 14.4551 14.4551 16.8166 16.8166 16.8185 16.8185 17.9470 17.9470 k = 0.5000-0.2594-0.5117 ( 2894 PWs) bands (ev): -11.8459 -11.8459 -11.8459 -11.8459 -10.8104 -10.8104 -10.8104 -10.8104 -10.4354 -10.4354 -10.4352 -10.4352 0.5352 0.5352 0.5366 0.5366 1.1790 1.1790 1.1806 1.1806 1.8165 1.8165 1.8192 1.8192 2.5863 2.5863 2.5884 2.5884 3.9236 3.9236 3.9313 3.9313 4.6986 4.6986 4.7010 4.7010 5.5318 5.5318 5.5414 5.5414 6.1875 6.1875 6.1956 6.1956 7.0178 7.0178 7.0221 7.0221 14.4715 14.4715 14.4721 14.4721 16.8125 16.8125 16.8146 16.8146 17.9342 17.9342 k = 0.5000-0.2502-0.5256 ( 2892 PWs) bands (ev): -11.8329 -11.8329 -11.8328 -11.8328 -10.8304 -10.8304 -10.8304 -10.8304 -10.4322 -10.4322 -10.4320 -10.4320 0.5840 0.5840 0.5856 0.5856 1.1510 1.1510 1.1522 1.1522 1.8093 1.8093 1.8117 1.8117 2.5840 2.5840 2.5861 2.5861 3.9309 3.9309 3.9387 3.9387 4.6881 4.6881 4.6907 4.6907 5.5110 5.5110 5.5206 5.5206 6.2038 6.2038 6.2118 6.2118 7.0138 7.0138 7.0182 7.0182 14.4883 14.4883 14.4890 14.4890 16.8101 16.8101 16.8123 16.8123 17.9208 17.9208 k = 0.5000-0.2410-0.5395 ( 2892 PWs) bands (ev): -11.8198 -11.8198 -11.8198 -11.8198 -10.8512 -10.8512 -10.8512 -10.8512 -10.4280 -10.4280 -10.4278 -10.4278 0.6288 0.6288 0.6309 0.6309 1.1284 1.1284 1.1292 1.1292 1.8000 1.8000 1.8023 1.8023 2.5849 2.5849 2.5868 2.5868 3.9361 3.9361 3.9438 3.9438 4.6772 4.6772 4.6803 4.6803 5.4907 5.4907 5.5004 5.5004 6.2190 6.2190 6.2269 6.2269 7.0089 7.0089 7.0135 7.0135 14.5047 14.5047 14.5054 14.5054 16.8096 16.8096 16.8118 16.8118 17.9070 17.9070 k = 0.5000-0.2318-0.5534 ( 2894 PWs) bands (ev): -11.8069 -11.8069 -11.8068 -11.8068 -10.8723 -10.8723 -10.8723 -10.8723 -10.4231 -10.4231 -10.4228 -10.4228 0.6669 0.6669 0.6693 0.6693 1.1141 1.1141 1.1143 1.1143 1.7888 1.7888 1.7910 1.7910 2.5889 2.5889 2.5907 2.5907 3.9390 3.9390 3.9467 3.9467 4.6662 4.6662 4.6696 4.6696 5.4713 5.4713 5.4810 5.4810 6.2330 6.2330 6.2407 6.2407 7.0031 7.0031 7.0078 7.0078 14.5205 14.5205 14.5212 14.5212 16.8111 16.8111 16.8134 16.8134 17.8931 17.8931 k = 0.5000-0.2226-0.5673 ( 2894 PWs) bands (ev): -11.7942 -11.7942 -11.7941 -11.7941 -10.8937 -10.8937 -10.8936 -10.8936 -10.4174 -10.4174 -10.4171 -10.4171 0.6945 0.6945 0.6974 0.6974 1.1108 1.1108 1.1111 1.1111 1.7762 1.7762 1.7782 1.7782 2.5960 2.5960 2.5977 2.5977 3.9396 3.9396 3.9472 3.9472 4.6549 4.6549 4.6587 4.6587 5.4530 5.4530 5.4628 5.4628 6.2457 6.2457 6.2533 6.2533 6.9962 6.9962 7.0010 7.0010 14.5356 14.5356 14.5363 14.5363 16.8147 16.8147 16.8171 16.8171 17.8796 17.8796 k = 0.5000-0.2134-0.5812 ( 2894 PWs) bands (ev): -11.7820 -11.7820 -11.7820 -11.7820 -10.9148 -10.9148 -10.9147 -10.9147 -10.4110 -10.4110 -10.4107 -10.4107 0.7088 0.7088 0.7120 0.7120 1.1212 1.1212 1.1219 1.1219 1.7627 1.7627 1.7645 1.7645 2.6060 2.6060 2.6076 2.6076 3.9379 3.9379 3.9454 3.9454 4.6432 4.6432 4.6475 4.6475 5.4360 5.4360 5.4458 5.4458 6.2569 6.2569 6.2644 6.2644 6.9881 6.9881 6.9930 6.9930 14.5497 14.5497 14.5504 14.5504 16.8207 16.8207 16.8231 16.8231 17.8666 17.8666 k = 0.5000-0.2041-0.5951 ( 2894 PWs) bands (ev): -11.7706 -11.7706 -11.7706 -11.7706 -10.9353 -10.9353 -10.9353 -10.9353 -10.4040 -10.4040 -10.4038 -10.4038 0.7094 0.7094 0.7128 0.7128 1.1453 1.1453 1.1463 1.1463 1.7490 1.7490 1.7507 1.7507 2.6187 2.6187 2.6203 2.6203 3.9339 3.9339 3.9412 3.9412 4.6312 4.6312 4.6359 4.6359 5.4207 5.4207 5.4305 5.4305 6.2665 6.2665 6.2739 6.2739 6.9787 6.9787 6.9838 6.9838 14.5627 14.5627 14.5634 14.5634 16.8290 16.8290 16.8314 16.8314 17.8547 17.8547 k = 0.5000-0.1949-0.6090 ( 2894 PWs) bands (ev): -11.7602 -11.7602 -11.7602 -11.7602 -10.9549 -10.9549 -10.9548 -10.9548 -10.3966 -10.3966 -10.3963 -10.3963 0.6986 0.6986 0.7020 0.7020 1.1799 1.1799 1.1810 1.1810 1.7361 1.7361 1.7378 1.7378 2.6338 2.6338 2.6353 2.6353 3.9277 3.9277 3.9348 3.9348 4.6188 4.6188 4.6238 4.6238 5.4073 5.4073 5.4171 5.4171 6.2746 6.2746 6.2819 6.2819 6.9681 6.9681 6.9732 6.9732 14.5744 14.5744 14.5751 14.5751 16.8397 16.8397 16.8421 16.8421 17.8440 17.8440 k = 0.5000-0.1857-0.6229 ( 2892 PWs) bands (ev): -11.7512 -11.7512 -11.7511 -11.7511 -10.9731 -10.9731 -10.9730 -10.9730 -10.3886 -10.3886 -10.3883 -10.3883 0.6796 0.6796 0.6829 0.6829 1.2204 1.2204 1.2214 1.2214 1.7255 1.7255 1.7271 1.7271 2.6510 2.6510 2.6525 2.6525 3.9194 3.9194 3.9264 3.9264 4.6059 4.6059 4.6113 4.6113 5.3960 5.3960 5.4058 5.4058 6.2810 6.2810 6.2883 6.2883 6.9561 6.9561 6.9613 6.9613 14.5847 14.5847 14.5854 14.5854 16.8528 16.8528 16.8553 16.8553 17.8349 17.8349 k = 0.5000-0.1765-0.6368 ( 2894 PWs) bands (ev): -11.7437 -11.7437 -11.7437 -11.7437 -10.9895 -10.9895 -10.9895 -10.9895 -10.3803 -10.3803 -10.3800 -10.3800 0.6553 0.6553 0.6585 0.6585 1.2619 1.2619 1.2628 1.2628 1.7191 1.7191 1.7207 1.7207 2.6699 2.6699 2.6715 2.6715 3.9093 3.9093 3.9161 3.9161 4.5926 4.5926 4.5982 4.5982 5.3870 5.3870 5.3966 5.3966 6.2856 6.2856 6.2928 6.2928 6.9427 6.9427 6.9480 6.9480 14.5934 14.5934 14.5941 14.5941 16.8683 16.8683 16.8708 16.8708 17.8277 17.8277 k = 0.5000-0.1673-0.6507 ( 2894 PWs) bands (ev): -11.7383 -11.7383 -11.7383 -11.7383 -11.0038 -11.0038 -11.0037 -11.0037 -10.3716 -10.3716 -10.3713 -10.3713 0.6278 0.6278 0.6308 0.6308 1.2998 1.2998 1.3006 1.3006 1.7192 1.7192 1.7209 1.7209 2.6903 2.6903 2.6919 2.6919 3.8977 3.8977 3.9043 3.9043 4.5790 4.5790 4.5848 4.5848 5.3803 5.3803 5.3898 5.3898 6.2885 6.2885 6.2956 6.2956 6.9280 6.9280 6.9334 6.9334 14.6004 14.6004 14.6011 14.6011 16.8862 16.8862 16.8887 16.8887 17.8226 17.8226 k = 0.5000-0.1581-0.6646 ( 2896 PWs) bands (ev): -11.7352 -11.7352 -11.7352 -11.7352 -11.0155 -11.0155 -11.0154 -11.0154 -10.3626 -10.3626 -10.3623 -10.3623 0.5985 0.5985 0.6014 0.6014 1.3301 1.3301 1.3308 1.3308 1.7287 1.7287 1.7303 1.7303 2.7117 2.7117 2.7134 2.7134 3.8850 3.8850 3.8914 3.8914 4.5651 4.5651 4.5710 4.5710 5.3761 5.3761 5.3854 5.3854 6.2894 6.2894 6.2964 6.2964 6.9120 6.9120 6.9175 6.9175 14.6056 14.6056 14.6062 14.6062 16.9062 16.9062 16.9087 16.9087 17.8199 17.8199 k = 0.5000-0.1489-0.6785 ( 2898 PWs) bands (ev): -11.7347 -11.7347 -11.7347 -11.7347 -11.0242 -11.0242 -11.0241 -11.0241 -10.3534 -10.3534 -10.3531 -10.3531 0.5683 0.5683 0.5710 0.5710 1.3499 1.3499 1.3505 1.3505 1.7490 1.7490 1.7507 1.7507 2.7337 2.7337 2.7355 2.7355 3.8715 3.8715 3.8778 3.8778 4.5512 4.5512 4.5572 4.5572 5.3743 5.3743 5.3832 5.3832 6.2883 6.2883 6.2953 6.2953 6.8948 6.8948 6.9004 6.9004 14.6089 14.6089 14.6095 14.6095 16.9282 16.9282 16.9306 16.9306 17.8198 17.8198 k = 0.5000-0.1397-0.6924 ( 2902 PWs) bands (ev): -11.7371 -11.7371 -11.7370 -11.7370 -11.0297 -11.0297 -11.0296 -11.0296 -10.3440 -10.3440 -10.3437 -10.3437 0.5377 0.5377 0.5403 0.5403 1.3588 1.3588 1.3593 1.3593 1.7800 1.7800 1.7818 1.7818 2.7559 2.7559 2.7578 2.7578 3.8577 3.8577 3.8639 3.8639 4.5376 4.5376 4.5434 4.5434 5.3747 5.3747 5.3833 5.3833 6.2852 6.2852 6.2922 6.2922 6.8767 6.8767 6.8823 6.8823 14.6103 14.6103 14.6108 14.6108 16.9519 16.9519 16.9542 16.9542 17.8225 17.8225 k = 0.5000-0.1305-0.7063 ( 2898 PWs) bands (ev): -11.7423 -11.7423 -11.7423 -11.7423 -11.0319 -11.0319 -11.0317 -11.0317 -10.3345 -10.3345 -10.3342 -10.3342 0.5073 0.5073 0.5098 0.5098 1.3582 1.3582 1.3587 1.3587 1.8195 1.8195 1.8213 1.8213 2.7779 2.7779 2.7799 2.7799 3.8443 3.8443 3.8503 3.8503 4.5245 4.5245 4.5302 4.5302 5.3771 5.3771 5.3854 5.3854 6.2800 6.2800 6.2868 6.2868 6.8577 6.8577 6.8634 6.8634 14.6096 14.6096 14.6101 14.6101 16.9769 16.9769 16.9792 16.9792 17.8282 17.8282 k = 0.7806 0.0011-0.3957 ( 2898 PWs) bands (ev): -11.7423 -11.7423 -11.7423 -11.7423 -11.0319 -11.0319 -11.0317 -11.0317 -10.3345 -10.3345 -10.3342 -10.3342 0.5073 0.5073 0.5098 0.5098 1.3582 1.3582 1.3587 1.3587 1.8195 1.8195 1.8213 1.8213 2.7779 2.7779 2.7799 2.7799 3.8443 3.8443 3.8503 3.8503 4.5245 4.5245 4.5302 4.5302 5.3771 5.3771 5.3854 5.3854 6.2800 6.2800 6.2868 6.2868 6.8577 6.8577 6.8634 6.8634 14.6096 14.6096 14.6101 14.6101 16.9769 16.9769 16.9792 16.9792 17.8282 17.8282 k = 0.7736 0.0069-0.3819 ( 2896 PWs) bands (ev): -11.7504 -11.7504 -11.7504 -11.7504 -11.0306 -11.0306 -11.0304 -11.0304 -10.3249 -10.3249 -10.3246 -10.3246 0.4775 0.4775 0.4799 0.4799 1.3508 1.3508 1.3513 1.3513 1.8639 1.8639 1.8657 1.8657 2.7989 2.7989 2.8011 2.8011 3.8318 3.8318 3.8378 3.8378 4.5124 4.5124 4.5179 4.5179 5.3814 5.3814 5.3892 5.3892 6.2726 6.2726 6.2794 6.2794 6.8384 6.8384 6.8441 6.8441 14.6070 14.6070 14.6074 14.6074 17.0026 17.0026 17.0048 17.0048 17.8372 17.8372 k = 0.7666 0.0128-0.3681 ( 2896 PWs) bands (ev): -11.7614 -11.7614 -11.7613 -11.7613 -11.0260 -11.0260 -11.0258 -11.0258 -10.3153 -10.3153 -10.3150 -10.3150 0.4484 0.4484 0.4507 0.4507 1.3388 1.3388 1.3393 1.3393 1.9107 1.9107 1.9126 1.9126 2.8188 2.8188 2.8211 2.8211 3.8209 3.8209 3.8269 3.8269 4.5017 4.5017 4.5069 4.5069 5.3872 5.3872 5.3945 5.3945 6.2630 6.2630 6.2696 6.2696 6.8189 6.8189 6.8246 6.8246 14.6023 14.6023 14.6027 14.6027 17.0287 17.0287 17.0308 17.0308 17.8495 17.8495 k = 0.7596 0.0186-0.3543 ( 2894 PWs) bands (ev): -11.7749 -11.7749 -11.7749 -11.7749 -11.0181 -11.0181 -11.0179 -11.0179 -10.3056 -10.3056 -10.3053 -10.3053 0.4200 0.4200 0.4222 0.4222 1.3239 1.3239 1.3245 1.3245 1.9576 1.9576 1.9595 1.9595 2.8371 2.8371 2.8396 2.8396 3.8123 3.8123 3.8182 3.8182 4.4927 4.4927 4.4976 4.4976 5.3942 5.3942 5.4010 5.4010 6.2511 6.2511 6.2576 6.2576 6.7994 6.7994 6.8051 6.8051 14.5956 14.5956 14.5960 14.5960 17.0546 17.0546 17.0565 17.0565 17.8656 17.8656 k = 0.7525 0.0244-0.3406 ( 2896 PWs) bands (ev): -11.7909 -11.7909 -11.7909 -11.7909 -11.0073 -11.0073 -11.0071 -11.0071 -10.2960 -10.2960 -10.2957 -10.2957 0.3924 0.3924 0.3946 0.3946 1.3074 1.3074 1.3080 1.3080 2.0026 2.0026 2.0047 2.0047 2.8533 2.8533 2.8559 2.8559 3.8065 3.8065 3.8125 3.8125 4.4859 4.4859 4.4904 4.4904 5.4020 5.4020 5.4083 5.4083 6.2371 6.2371 6.2434 6.2434 6.7804 6.7804 6.7860 6.7860 14.5870 14.5870 14.5874 14.5874 17.0796 17.0796 17.0813 17.0813 17.8857 17.8857 k = 0.7455 0.0303-0.3268 ( 2896 PWs) bands (ev): -11.8090 -11.8090 -11.8090 -11.8090 -10.9937 -10.9937 -10.9935 -10.9935 -10.2864 -10.2864 -10.2861 -10.2861 0.3658 0.3658 0.3679 0.3679 1.2902 1.2902 1.2908 1.2908 2.0445 2.0445 2.0466 2.0466 2.8670 2.8670 2.8698 2.8698 3.8043 3.8043 3.8102 3.8102 4.4817 4.4817 4.4857 4.4857 5.4101 5.4101 5.4158 5.4158 6.2209 6.2209 6.2269 6.2269 6.7620 6.7620 6.7676 6.7676 14.5764 14.5764 14.5767 14.5767 17.1030 17.1030 17.1046 17.1046 17.9101 17.9101 k = 0.7385 0.0361-0.3130 ( 2898 PWs) bands (ev): -11.8290 -11.8290 -11.8289 -11.8289 -10.9777 -10.9777 -10.9775 -10.9775 -10.2769 -10.2769 -10.2766 -10.2766 0.3402 0.3402 0.3422 0.3422 1.2729 1.2729 1.2735 1.2735 2.0819 2.0819 2.0841 2.0841 2.8780 2.8780 2.8810 2.8810 3.8061 3.8061 3.8121 3.8121 4.4804 4.4804 4.4840 4.4840 5.4182 5.4182 5.4233 5.4233 6.2029 6.2029 6.2086 6.2086 6.7447 6.7447 6.7502 6.7502 14.5639 14.5639 14.5642 14.5642 17.1243 17.1243 17.1257 17.1257 17.9391 17.9391 k = 0.7315 0.0419-0.2992 ( 2902 PWs) bands (ev): -11.8504 -11.8504 -11.8503 -11.8503 -10.9595 -10.9595 -10.9593 -10.9593 -10.2675 -10.2675 -10.2672 -10.2672 0.3157 0.3157 0.3176 0.3176 1.2560 1.2560 1.2566 1.2566 2.1140 2.1140 2.1163 2.1163 2.8862 2.8862 2.8893 2.8893 3.8125 3.8125 3.8184 3.8184 4.4823 4.4823 4.4854 4.4854 5.4257 5.4257 5.4301 5.4301 6.1834 6.1834 6.1887 6.1887 6.7287 6.7287 6.7340 6.7340 14.5497 14.5497 14.5499 14.5499 17.1427 17.1427 17.1439 17.1439 17.9727 17.9727 k = 0.7245 0.0478-0.2855 ( 2904 PWs) bands (ev): -11.8730 -11.8730 -11.8729 -11.8729 -10.9395 -10.9395 -10.9393 -10.9393 -10.2583 -10.2583 -10.2579 -10.2579 0.2922 0.2922 0.2940 0.2940 1.2397 1.2397 1.2404 1.2404 2.1399 2.1399 2.1423 2.1423 2.8915 2.8915 2.8947 2.8947 3.8235 3.8235 3.8294 3.8294 4.4878 4.4878 4.4904 4.4904 5.4320 5.4320 5.4357 5.4357 6.1631 6.1631 6.1679 6.1679 6.7141 6.7141 6.7192 6.7192 14.5336 14.5336 14.5338 14.5338 17.1577 17.1577 17.1587 17.1587 18.0112 18.0112 k = 0.7175 0.0536-0.2717 ( 2894 PWs) bands (ev): -11.8966 -11.8966 -11.8965 -11.8965 -10.9178 -10.9178 -10.9176 -10.9176 -10.2492 -10.2492 -10.2489 -10.2489 0.2698 0.2698 0.2715 0.2715 1.2245 1.2245 1.2252 1.2252 2.1592 2.1592 2.1616 2.1616 2.8941 2.8941 2.8973 2.8973 3.8393 3.8393 3.8450 3.8450 4.4969 4.4969 4.4990 4.4990 5.4364 5.4364 5.4392 5.4392 6.1425 6.1425 6.1468 6.1468 6.7011 6.7011 6.7060 6.7060 14.5159 14.5159 14.5161 14.5161 17.1689 17.1689 17.1698 17.1698 18.0545 18.0545 k = 0.7104 0.0594-0.2579 ( 2892 PWs) bands (ev): -11.9208 -11.9208 -11.9207 -11.9207 -10.8949 -10.8949 -10.8946 -10.8946 -10.2404 -10.2404 -10.2401 -10.2401 0.2484 0.2484 0.2502 0.2502 1.2104 1.2104 1.2111 1.2111 2.1714 2.1714 2.1739 2.1739 2.8943 2.8943 2.8974 2.8974 3.8596 3.8596 3.8651 3.8651 4.5096 4.5096 4.5111 4.5111 5.4381 5.4381 5.4401 5.4401 6.1228 6.1228 6.1264 6.1264 6.6897 6.6897 6.6943 6.6943 14.4967 14.4967 14.4969 14.4969 17.1759 17.1759 17.1767 17.1767 18.1025 18.1025 k = 0.7034 0.0653-0.2441 ( 2892 PWs) bands (ev): -11.9455 -11.9455 -11.9454 -11.9454 -10.8707 -10.8707 -10.8705 -10.8705 -10.2318 -10.2318 -10.2315 -10.2315 0.2282 0.2282 0.2299 0.2299 1.1977 1.1977 1.1984 1.1984 2.1764 2.1764 2.1790 2.1790 2.8923 2.8923 2.8953 2.8953 3.8840 3.8840 3.8894 3.8894 4.5259 4.5259 4.5268 4.5268 5.4365 5.4365 5.4375 5.4375 6.1047 6.1047 6.1076 6.1076 6.6798 6.6798 6.6843 6.6843 14.4760 14.4760 14.4761 14.4761 17.1788 17.1788 17.1794 17.1794 18.1550 18.1550 k = 0.6964 0.0711-0.2304 ( 2900 PWs) bands (ev): -11.9705 -11.9705 -11.9704 -11.9704 -10.8457 -10.8457 -10.8455 -10.8455 -10.2235 -10.2235 -10.2232 -10.2232 0.2090 0.2090 0.2106 0.2106 1.1865 1.1865 1.1872 1.1872 2.1744 2.1744 2.1770 2.1770 2.8885 2.8885 2.8912 2.8912 3.9122 3.9122 3.9173 3.9173 4.5454 4.5454 4.5458 4.5458 5.4307 5.4307 5.4307 5.4307 6.0895 6.0895 6.0917 6.0917 6.6716 6.6716 6.6758 6.6758 14.4539 14.4539 14.4540 14.4540 17.1773 17.1773 17.1779 17.1779 18.2115 18.2115 k = 0.6894 0.0769-0.2166 ( 2898 PWs) bands (ev): -11.9955 -11.9955 -11.9954 -11.9954 -10.8200 -10.8200 -10.8197 -10.8197 -10.2155 -10.2155 -10.2152 -10.2152 0.1909 0.1909 0.1925 0.1925 1.1768 1.1768 1.1776 1.1776 2.1658 2.1658 2.1683 2.1683 2.8830 2.8830 2.8856 2.8856 3.9435 3.9435 3.9484 3.9484 4.5676 4.5676 4.5677 4.5677 5.4192 5.4192 5.4202 5.4202 6.0781 6.0781 6.0795 6.0795 6.6649 6.6649 6.6688 6.6688 14.4306 14.4306 14.4307 14.4307 17.1717 17.1717 17.1721 17.1721 18.2718 18.2718 k = 0.6824 0.0828-0.2028 ( 2904 PWs) bands (ev): -12.0205 -12.0205 -12.0204 -12.0204 -10.7936 -10.7936 -10.7934 -10.7934 -10.2079 -10.2079 -10.2076 -10.2076 0.1739 0.1739 0.1754 0.1754 1.1689 1.1689 1.1696 1.1696 2.1509 2.1509 2.1534 2.1534 2.8762 2.8762 2.8785 2.8785 3.9777 3.9777 3.9822 3.9822 4.5916 4.5916 4.5923 4.5923 5.4026 5.4026 5.4046 5.4046 6.0712 6.0712 6.0719 6.0719 6.6595 6.6595 6.6633 6.6633 14.4062 14.4062 14.4063 14.4063 17.1620 17.1620 17.1624 17.1624 18.3354 18.3354 k = 0.6754 0.0886-0.1890 ( 2906 PWs) bands (ev): -12.0453 -12.0453 -12.0452 -12.0452 -10.7669 -10.7669 -10.7666 -10.7666 -10.2006 -10.2006 -10.2003 -10.2003 0.1579 0.1579 0.1593 0.1593 1.1627 1.1627 1.1634 1.1634 2.1305 2.1305 2.1329 2.1329 2.8681 2.8681 2.8701 2.8701 4.0140 4.0140 4.0182 4.0182 4.6173 4.6173 4.6186 4.6186 5.3809 5.3809 5.3840 5.3840 6.0695 6.0695 6.0695 6.0695 6.6555 6.6555 6.6591 6.6591 14.3808 14.3808 14.3809 14.3809 17.1485 17.1485 17.1489 17.1489 18.4017 18.4017 k = 0.6684 0.0944-0.1753 ( 2902 PWs) bands (ev): -12.0698 -12.0698 -12.0697 -12.0697 -10.7398 -10.7398 -10.7396 -10.7396 -10.1938 -10.1938 -10.1935 -10.1935 0.1429 0.1429 0.1443 0.1443 1.1583 1.1583 1.1590 1.1590 2.1052 2.1052 2.1075 2.1075 2.8589 2.8589 2.8606 2.8606 4.0521 4.0521 4.0560 4.0560 4.6437 4.6437 4.6456 4.6456 5.3548 5.3548 5.3588 5.3588 6.0724 6.0724 6.0730 6.0730 6.6528 6.6528 6.6561 6.6561 14.3546 14.3546 14.3547 14.3547 17.1316 17.1316 17.1319 17.1319 18.4705 18.4705 k = 0.6613 0.1003-0.1615 ( 2906 PWs) bands (ev): -12.0938 -12.0938 -12.0937 -12.0937 -10.7126 -10.7126 -10.7124 -10.7124 -10.1873 -10.1873 -10.1871 -10.1871 0.1290 0.1290 0.1303 0.1303 1.1557 1.1557 1.1564 1.1564 2.0759 2.0759 2.0780 2.0780 2.8485 2.8485 2.8500 2.8500 4.0917 4.0917 4.0952 4.0952 4.6699 4.6699 4.6724 4.6724 5.3248 5.3248 5.3299 5.3299 6.0806 6.0806 6.0816 6.0816 6.6512 6.6512 6.6543 6.6543 14.3277 14.3277 14.3278 14.3278 17.1114 17.1114 17.1117 17.1117 18.5411 18.5411 k = 0.6543 0.1061-0.1477 ( 2910 PWs) bands (ev): -12.1173 -12.1173 -12.1172 -12.1172 -10.6853 -10.6853 -10.6851 -10.6851 -10.1814 -10.1814 -10.1811 -10.1811 0.1160 0.1160 0.1172 0.1172 1.1549 1.1549 1.1557 1.1557 2.0431 2.0431 2.0452 2.0452 2.8372 2.8372 2.8384 2.8384 4.1322 4.1322 4.1354 4.1354 4.6949 4.6949 4.6980 4.6980 5.2922 5.2922 5.2982 5.2982 6.0937 6.0937 6.0950 6.0950 6.6506 6.6506 6.6535 6.6535 14.3002 14.3002 14.3003 14.3003 17.0884 17.0884 17.0887 17.0887 18.6133 18.6133 k = 0.6473 0.1119-0.1339 ( 2904 PWs) bands (ev): -12.1402 -12.1402 -12.1401 -12.1401 -10.6581 -10.6581 -10.6579 -10.6579 -10.1759 -10.1759 -10.1756 -10.1756 0.1039 0.1039 0.1051 0.1051 1.1559 1.1559 1.1567 1.1567 2.0077 2.0077 2.0096 2.0096 2.8248 2.8248 2.8258 2.8258 4.1736 4.1736 4.1763 4.1763 4.7173 4.7173 4.7210 4.7210 5.2584 5.2584 5.2652 5.2652 6.1112 6.1112 6.1128 6.1128 6.6510 6.6510 6.6537 6.6537 14.2723 14.2723 14.2724 14.2724 17.0629 17.0629 17.0631 17.0631 18.6865 18.6865 k = 0.6403 0.1178-0.1202 ( 2900 PWs) bands (ev): -12.1624 -12.1624 -12.1623 -12.1623 -10.6311 -10.6311 -10.6309 -10.6309 -10.1710 -10.1710 -10.1707 -10.1707 0.0928 0.0928 0.0939 0.0939 1.1587 1.1587 1.1594 1.1594 1.9703 1.9703 1.9721 1.9721 2.8116 2.8116 2.8124 2.8124 4.2154 4.2154 4.2177 4.2177 4.7359 4.7359 4.7402 4.7402 5.2249 5.2249 5.2325 5.2325 6.1327 6.1327 6.1345 6.1345 6.6522 6.6522 6.6548 6.6548 14.2442 14.2442 14.2443 14.2443 17.0352 17.0352 17.0355 17.0355 18.7606 18.7606 k = 0.6333 0.1236-0.1064 ( 2906 PWs) bands (ev): -12.1839 -12.1839 -12.1838 -12.1838 -10.6043 -10.6043 -10.6041 -10.6041 -10.1666 -10.1666 -10.1663 -10.1663 0.0826 0.0826 0.0837 0.0837 1.1632 1.1632 1.1639 1.1639 1.9314 1.9314 1.9331 1.9331 2.7976 2.7976 2.7982 2.7982 4.2574 4.2574 4.2592 4.2592 4.7492 4.7492 4.7540 4.7540 5.1935 5.1935 5.2018 5.2018 6.1577 6.1577 6.1595 6.1595 6.6542 6.6542 6.6566 6.6566 14.2160 14.2160 14.2160 14.2160 17.0058 17.0058 17.0060 17.0060 18.8350 18.8350 k = 0.6263 0.1294-0.0926 ( 2912 PWs) bands (ev): -12.2045 -12.2045 -12.2045 -12.2045 -10.5778 -10.5778 -10.5776 -10.5776 -10.1627 -10.1627 -10.1625 -10.1625 0.0732 0.0732 0.0742 0.0742 1.1693 1.1693 1.1699 1.1699 1.8916 1.8916 1.8932 1.8932 2.7829 2.7829 2.7833 2.7833 4.2993 4.2993 4.3007 4.3007 4.7559 4.7559 4.7610 4.7610 5.1659 5.1659 5.1746 5.1746 6.1856 6.1856 6.1874 6.1874 6.6568 6.6568 6.6591 6.6591 14.1878 14.1878 14.1879 14.1879 16.9750 16.9750 16.9752 16.9752 18.9095 18.9095 k = 0.6193 0.1353-0.0788 ( 2906 PWs) bands (ev): -12.2243 -12.2243 -12.2243 -12.2243 -10.5518 -10.5518 -10.5516 -10.5516 -10.1595 -10.1595 -10.1593 -10.1593 0.0647 0.0647 0.0657 0.0657 1.1769 1.1769 1.1775 1.1775 1.8514 1.8514 1.8529 1.8529 2.7677 2.7677 2.7679 2.7679 4.3409 4.3409 4.3417 4.3417 4.7550 4.7550 4.7600 4.7600 5.1434 5.1434 5.1523 5.1523 6.2160 6.2160 6.2178 6.2178 6.6600 6.6600 6.6621 6.6621 14.1599 14.1599 14.1599 14.1599 16.9432 16.9432 16.9434 16.9434 18.9838 18.9838 k = 0.6122 0.1411-0.0651 ( 2906 PWs) bands (ev): -12.2432 -12.2432 -12.2432 -12.2432 -10.5262 -10.5262 -10.5260 -10.5260 -10.1569 -10.1569 -10.1567 -10.1567 0.0570 0.0570 0.0580 0.0580 1.1859 1.1859 1.1865 1.1865 1.8113 1.8113 1.8126 1.8126 2.7520 2.7520 2.7521 2.7521 4.3818 4.3818 4.3820 4.3820 4.7465 4.7465 4.7510 4.7510 5.1269 5.1269 5.1355 5.1355 6.2483 6.2483 6.2500 6.2500 6.6637 6.6637 6.6656 6.6656 14.1324 14.1324 14.1324 14.1324 16.9107 16.9107 16.9110 16.9110 19.0577 19.0577 k = 0.6052 0.1470-0.0513 ( 2906 PWs) bands (ev): -12.2611 -12.2611 -12.2611 -12.2611 -10.5012 -10.5012 -10.5010 -10.5010 -10.1550 -10.1550 -10.1548 -10.1548 0.0502 0.0502 0.0510 0.0510 1.1962 1.1962 1.1968 1.1968 1.7716 1.7716 1.7728 1.7728 2.7360 2.7360 2.7360 2.7360 4.4209 4.4209 4.4216 4.4216 4.7313 4.7313 4.7348 4.7348 5.1159 5.1159 5.1240 5.1240 6.2820 6.2820 6.2837 6.2837 6.6677 6.6677 6.6695 6.6695 14.1055 14.1055 14.1055 14.1055 16.8780 16.8780 16.8783 16.8783 19.1309 19.1309 k = 0.5982 0.1528-0.0375 ( 2908 PWs) bands (ev): -12.2781 -12.2781 -12.2780 -12.2780 -10.4768 -10.4768 -10.4766 -10.4766 -10.1538 -10.1538 -10.1536 -10.1536 0.0440 0.0440 0.0448 0.0448 1.2076 1.2076 1.2082 1.2082 1.7327 1.7327 1.7338 1.7338 2.7197 2.7197 2.7197 2.7197 4.4576 4.4576 4.4594 4.4594 4.7116 4.7116 4.7136 4.7136 5.1092 5.1092 5.1165 5.1165 6.3168 6.3168 6.3183 6.3183 6.6719 6.6719 6.6735 6.6735 14.0792 14.0792 14.0793 14.0793 16.8455 16.8455 16.8457 16.8457 19.2032 19.2032 k = 0.5912 0.1586-0.0237 ( 2912 PWs) bands (ev): -12.2940 -12.2940 -12.2939 -12.2939 -10.4530 -10.4530 -10.4529 -10.4529 -10.1533 -10.1533 -10.1531 -10.1531 0.0386 0.0386 0.0394 0.0394 1.2200 1.2200 1.2205 1.2205 1.6949 1.6949 1.6959 1.6959 2.7033 2.7033 2.7035 2.7035 4.4903 4.4903 4.4935 4.4935 4.6910 4.6910 4.6911 4.6911 5.1052 5.1052 5.1117 5.1117 6.3520 6.3520 6.3534 6.3534 6.6762 6.6762 6.6777 6.6777 14.0539 14.0539 14.0539 14.0539 16.8134 16.8134 16.8136 16.8136 19.2744 19.2746 k = 0.5842 0.1645-0.0100 ( 2918 PWs) bands (ev): -12.3088 -12.3088 -12.3088 -12.3088 -10.4300 -10.4300 -10.4299 -10.4299 -10.1535 -10.1535 -10.1534 -10.1534 0.0339 0.0339 0.0346 0.0346 1.2331 1.2331 1.2336 1.2336 1.6585 1.6585 1.6595 1.6595 2.6871 2.6871 2.6873 2.6873 4.5150 4.5150 4.5203 4.5203 4.6725 4.6725 4.6751 4.6751 5.1024 5.1024 5.1081 5.1081 6.3872 6.3872 6.3885 6.3885 6.6805 6.6805 6.6819 6.6819 14.0297 14.0297 14.0297 14.0297 16.7821 16.7821 16.7823 16.7823 19.3446 19.3466 k = 0.5772 0.1703 0.0038 ( 2920 PWs) bands (ev): -12.3226 -12.3226 -12.3225 -12.3225 -10.4078 -10.4078 -10.4076 -10.4076 -10.1545 -10.1545 -10.1544 -10.1544 0.0298 0.0298 0.0304 0.0304 1.2468 1.2468 1.2473 1.2473 1.6238 1.6238 1.6247 1.6247 2.6712 2.6712 2.6715 2.6715 4.5255 4.5255 4.5326 4.5326 4.6665 4.6665 4.6714 4.6714 5.0997 5.0997 5.1046 5.1046 6.4219 6.4219 6.4231 6.4231 6.6846 6.6846 6.6859 6.6859 14.0067 14.0067 14.0067 14.0067 16.7520 16.7520 16.7522 16.7522 19.4131 19.4152 k = 0.5701 0.1761 0.0176 ( 2924 PWs) bands (ev): -12.3352 -12.3352 -12.3352 -12.3352 -10.3863 -10.3863 -10.3862 -10.3862 -10.1563 -10.1563 -10.1562 -10.1562 0.0262 0.0262 0.0268 0.0268 1.2608 1.2608 1.2613 1.2613 1.5910 1.5910 1.5918 1.5918 2.6557 2.6557 2.6560 2.6560 4.5189 4.5189 4.5260 4.5260 4.6787 4.6787 4.6839 4.6839 5.0963 5.0963 5.1005 5.1005 6.4556 6.4556 6.4568 6.4568 6.6885 6.6885 6.6897 6.6897 13.9851 13.9851 13.9851 13.9851 16.7234 16.7234 16.7236 16.7236 19.4804 19.4818 k = 0.5631 0.1820 0.0314 ( 2922 PWs) bands (ev): -12.3467 -12.3467 -12.3467 -12.3467 -10.3657 -10.3657 -10.3656 -10.3656 -10.1589 -10.1589 -10.1588 -10.1588 0.0233 0.0233 0.0238 0.0238 1.2750 1.2750 1.2754 1.2754 1.5603 1.5603 1.5610 1.5610 2.6409 2.6409 2.6412 2.6412 4.5010 4.5010 4.5071 4.5071 4.7032 4.7032 4.7077 4.7077 5.0915 5.0915 5.0951 5.0951 6.4881 6.4881 6.4891 6.4891 6.6920 6.6920 6.6930 6.6930 13.9650 13.9650 13.9650 13.9650 16.6965 16.6965 16.6967 16.6967 19.5458 19.5470 k = 0.5561 0.1878 0.0451 ( 2916 PWs) bands (ev): -12.3570 -12.3570 -12.3570 -12.3570 -10.3460 -10.3460 -10.3459 -10.3459 -10.1624 -10.1624 -10.1623 -10.1623 0.0208 0.0208 0.0213 0.0213 1.2891 1.2891 1.2895 1.2895 1.5319 1.5319 1.5325 1.5325 2.6269 2.6269 2.6272 2.6272 4.4786 4.4786 4.4836 4.4836 4.7330 4.7330 4.7367 4.7367 5.0851 5.0851 5.0882 5.0882 6.5187 6.5187 6.5197 6.5197 6.6950 6.6950 6.6959 6.6959 13.9466 13.9466 13.9466 13.9466 16.6717 16.6717 16.6718 16.6718 19.6088 19.6096 k = 0.5491 0.1936 0.0589 ( 2916 PWs) bands (ev): -12.3662 -12.3662 -12.3662 -12.3662 -10.3273 -10.3273 -10.3272 -10.3272 -10.1667 -10.1667 -10.1666 -10.1666 0.0188 0.0188 0.0192 0.0192 1.3029 1.3029 1.3032 1.3032 1.5058 1.5058 1.5064 1.5064 2.6139 2.6139 2.6141 2.6141 4.4556 4.4556 4.4596 4.4596 4.7644 4.7644 4.7674 4.7674 5.0768 5.0768 5.0794 5.0794 6.5474 6.5474 6.5482 6.5482 6.6973 6.6973 6.6980 6.6980 13.9300 13.9300 13.9300 13.9300 16.6491 16.6491 16.6493 16.6493 19.6704 19.6713 k = 0.5421 0.1995 0.0727 ( 2912 PWs) bands (ev): -12.3742 -12.3742 -12.3741 -12.3741 -10.3094 -10.3094 -10.3093 -10.3093 -10.1719 -10.1719 -10.1718 -10.1718 0.0172 0.0172 0.0175 0.0175 1.3162 1.3162 1.3165 1.3165 1.4822 1.4822 1.4827 1.4827 2.6021 2.6021 2.6023 2.6023 4.4338 4.4338 4.4370 4.4370 4.7960 4.7960 4.7984 4.7984 5.0666 5.0666 5.0687 5.0687 6.5736 6.5736 6.5743 6.5743 6.6987 6.6987 6.6993 6.6993 13.9154 13.9154 13.9154 13.9154 16.6291 16.6291 16.6293 16.6293 19.7300 19.7309 k = 0.5351 0.2053 0.0864 ( 2908 PWs) bands (ev): -12.3809 -12.3809 -12.3809 -12.3809 -10.2925 -10.2925 -10.2925 -10.2925 -10.1780 -10.1780 -10.1780 -10.1780 0.0159 0.0159 0.0162 0.0162 1.3289 1.3289 1.3292 1.3292 1.4611 1.4611 1.4615 1.4615 2.5917 2.5917 2.5919 2.5919 4.4143 4.4143 4.4168 4.4168 4.8270 4.8270 4.8290 4.8290 5.0543 5.0543 5.0561 5.0561 6.5973 6.5973 6.5979 6.5979 6.6992 6.6992 6.6997 6.6997 13.9028 13.9028 13.9028 13.9028 16.6118 16.6118 16.6120 16.6120 19.7876 19.7885 k = 0.5281 0.2111 0.1002 ( 2904 PWs) bands (ev): -12.3865 -12.3865 -12.3865 -12.3865 -10.2766 -10.2766 -10.2766 -10.2766 -10.1851 -10.1851 -10.1850 -10.1850 0.0149 0.0149 0.0151 0.0151 1.3410 1.3410 1.3412 1.3412 1.4424 1.4424 1.4427 1.4427 2.5829 2.5829 2.5830 2.5830 4.3977 4.3977 4.3997 4.3997 4.8571 4.8571 4.8585 4.8585 5.0401 5.0401 5.0414 5.0414 6.6182 6.6182 6.6188 6.6188 6.6985 6.6985 6.6988 6.6988 13.8923 13.8923 13.8923 13.8923 16.5975 16.5975 16.5975 16.5975 19.8424 19.8427 k = 0.5210 0.2170 0.1140 ( 2902 PWs) bands (ev): -12.3908 -12.3908 -12.3908 -12.3908 -10.2617 -10.2617 -10.2617 -10.2617 -10.1931 -10.1931 -10.1930 -10.1930 0.0142 0.0142 0.0144 0.0144 1.3525 1.3525 1.3526 1.3526 1.4259 1.4259 1.4261 1.4261 2.5758 2.5758 2.5760 2.5760 4.3846 4.3846 4.3860 4.3860 4.8858 4.8858 4.8869 4.8869 5.0238 5.0238 5.0247 5.0247 6.6363 6.6363 6.6367 6.6367 6.6965 6.6965 6.6967 6.6967 13.8841 13.8841 13.8841 13.8841 16.5861 16.5861 16.5862 16.5862 19.8947 19.8951 k = 0.5140 0.2228 0.1278 ( 2908 PWs) bands (ev): -12.3939 -12.3939 -12.3939 -12.3939 -10.2478 -10.2478 -10.2477 -10.2477 -10.2020 -10.2020 -10.2020 -10.2020 0.0137 0.0137 0.0139 0.0139 1.3634 1.3634 1.3635 1.3635 1.4115 1.4115 1.4116 1.4116 2.5707 2.5707 2.5708 2.5708 4.3750 4.3750 4.3760 4.3760 4.9131 4.9131 4.9139 4.9139 5.0055 5.0055 5.0061 5.0061 6.6513 6.6513 6.6516 6.6516 6.6931 6.6931 6.6933 6.6933 13.8782 13.8782 13.8782 13.8782 16.5779 16.5779 16.5780 16.5780 19.9433 19.9436 k = 0.5070 0.2286 0.1415 ( 2918 PWs) bands (ev): -12.3958 -12.3958 -12.3958 -12.3958 -10.2349 -10.2349 -10.2348 -10.2348 -10.2120 -10.2120 -10.2120 -10.2120 0.0135 0.0135 0.0135 0.0135 1.3739 1.3739 1.3740 1.3740 1.3990 1.3990 1.3991 1.3991 2.5675 2.5675 2.5676 2.5676 4.3693 4.3693 4.3698 4.3698 4.9388 4.9388 4.9392 4.9392 4.9854 4.9854 4.9857 4.9857 6.6627 6.6627 6.6628 6.6628 6.6888 6.6888 6.6889 6.6889 13.8747 13.8747 13.8747 13.8747 16.5730 16.5730 16.5730 16.5730 19.9882 19.9884 k = 0.5000 0.2345 0.1553 ( 2922 PWs) bands (ev): -12.3964 -12.3964 -12.3964 -12.3964 -10.2232 -10.2232 -10.2232 -10.2232 -10.2226 -10.2226 -10.2226 -10.2226 0.0134 0.0134 0.0134 0.0134 1.3812 1.3812 1.3812 1.3812 1.3911 1.3911 1.3911 1.3911 2.5665 2.5665 2.5665 2.5665 4.3676 4.3676 4.3676 4.3676 4.9601 4.9601 4.9601 4.9601 4.9662 4.9662 4.9662 4.9662 6.6678 6.6678 6.6678 6.6678 6.6861 6.6861 6.6861 6.6861 13.8735 13.8735 13.8735 13.8735 16.5713 16.5713 16.5713 16.5713 20.0221 20.0224 k = 0.5000 0.2345 0.1553 ( 2922 PWs) bands (ev): -12.3964 -12.3964 -12.3964 -12.3964 -10.2232 -10.2232 -10.2232 -10.2232 -10.2226 -10.2226 -10.2226 -10.2226 0.0134 0.0134 0.0134 0.0134 1.3812 1.3812 1.3812 1.3812 1.3911 1.3911 1.3911 1.3911 2.5665 2.5665 2.5665 2.5665 4.3676 4.3676 4.3676 4.3676 4.9601 4.9601 4.9601 4.9601 4.9662 4.9662 4.9662 4.9662 6.6678 6.6678 6.6678 6.6678 6.6861 6.6861 6.6861 6.6861 13.8735 13.8735 13.8735 13.8735 16.5713 16.5713 16.5713 16.5713 20.0220 20.0223 k = 0.4857 0.2278 0.1509 ( 2913 PWs) bands (ev): -12.4325 -12.4325 -12.3599 -12.3599 -10.2268 -10.2268 -10.2261 -10.2261 -10.2197 -10.2197 -10.2190 -10.2190 -0.0053 -0.0053 0.0328 0.0328 1.3545 1.3545 1.3642 1.3642 1.4075 1.4075 1.4176 1.4176 2.4741 2.4741 2.6570 2.6570 4.3163 4.3163 4.4205 4.4205 4.9410 4.9410 4.9471 4.9471 4.9796 4.9796 4.9858 4.9858 6.6427 6.6427 6.6613 6.6613 6.6934 6.6934 6.7115 6.7115 13.8129 13.8129 13.9369 13.9369 16.4800 16.4800 16.6617 16.6617 19.9655 19.9689 k = 0.4714 0.2211 0.1464 ( 2916 PWs) bands (ev): -12.4683 -12.4683 -12.3231 -12.3231 -10.2302 -10.2302 -10.2296 -10.2296 -10.2161 -10.2161 -10.2154 -10.2154 -0.0233 -0.0233 0.0529 0.0529 1.3276 1.3276 1.3371 1.3371 1.4333 1.4333 1.4435 1.4435 2.3801 2.3801 2.7451 2.7451 4.2665 4.2665 4.4753 4.4753 4.9225 4.9225 4.9286 4.9286 4.9994 4.9994 5.0056 5.0056 6.6182 6.6182 6.6370 6.6370 6.7195 6.7195 6.7373 6.7373 13.7552 13.7552 14.0030 14.0030 16.3877 16.3877 16.7509 16.7509 19.9089 19.9165 k = 0.4571 0.2144 0.1420 ( 2916 PWs) bands (ev): -12.5036 -12.5036 -12.2861 -12.2861 -10.2337 -10.2337 -10.2331 -10.2331 -10.2126 -10.2126 -10.2118 -10.2118 -0.0405 -0.0405 0.0735 0.0735 1.3005 1.3005 1.3099 1.3099 1.4585 1.4585 1.4689 1.4689 2.2849 2.2849 2.8304 2.8304 4.2181 4.2181 4.5321 4.5321 4.9048 4.9048 4.9109 4.9109 5.0193 5.0193 5.0255 5.0255 6.5943 6.5943 6.6133 6.6133 6.7459 6.7459 6.7635 6.7635 13.7007 13.7007 14.0715 14.0715 16.2946 16.2946 16.8389 16.8389 19.8526 19.8611 k = 0.4429 0.2077 0.1376 ( 2911 PWs) bands (ev): -12.5383 -12.5383 -12.2490 -12.2490 -10.2370 -10.2370 -10.2365 -10.2365 -10.2090 -10.2090 -10.2082 -10.2082 -0.0570 -0.0570 0.0948 0.0948 1.2734 1.2734 1.2826 1.2826 1.4829 1.4829 1.4935 1.4935 2.1890 2.1890 2.9124 2.9124 4.1710 4.1710 4.5911 4.5911 4.8881 4.8881 4.8941 4.8941 5.0391 5.0391 5.0453 5.0453 6.5711 6.5711 6.5902 6.5902 6.7727 6.7727 6.7901 6.7901 13.6494 13.6494 14.1423 14.1423 16.2007 16.2007 16.9255 16.9255 19.7975 19.8002 k = 0.4286 0.2010 0.1331 ( 2917 PWs) bands (ev): -12.5725 -12.5725 -12.2119 -12.2119 -10.2404 -10.2404 -10.2398 -10.2398 -10.2054 -10.2054 -10.2046 -10.2046 -0.0727 -0.0727 0.1166 0.1166 1.2464 1.2464 1.2555 1.2555 1.5064 1.5064 1.5172 1.5172 2.0927 2.0927 2.9908 2.9908 4.1250 4.1250 4.6524 4.6524 4.8725 4.8725 4.8785 4.8785 5.0586 5.0586 5.0649 5.0649 6.5485 6.5485 6.5679 6.5679 6.7998 6.7998 6.8169 6.8169 13.6014 13.6014 14.2152 14.2152 16.1063 16.1063 17.0108 17.0108 19.7436 19.7480 k = 0.4143 0.1943 0.1287 ( 2911 PWs) bands (ev): -12.6060 -12.6060 -12.1747 -12.1747 -10.2436 -10.2436 -10.2431 -10.2431 -10.2018 -10.2018 -10.2010 -10.2010 -0.0875 -0.0875 0.1388 0.1388 1.2196 1.2196 1.2285 1.2285 1.5289 1.5289 1.5399 1.5399 1.9963 1.9963 3.0651 3.0651 4.0802 4.0802 4.7161 4.7161 4.8583 4.8583 4.8642 4.8642 5.0778 5.0778 5.0842 5.0842 6.5267 6.5267 6.5462 6.5462 6.8270 6.8270 6.8439 6.8439 13.5569 13.5569 14.2899 14.2899 16.0113 16.0113 17.0945 17.0945 19.6907 19.6917 k = 0.4000 0.1876 0.1243 ( 2911 PWs) bands (ev): -12.6389 -12.6389 -12.1377 -12.1377 -10.2468 -10.2468 -10.2463 -10.2463 -10.1983 -10.1983 -10.1974 -10.1974 -0.1015 -0.1015 0.1615 0.1615 1.1932 1.1932 1.2019 1.2019 1.5504 1.5504 1.5615 1.5615 1.9001 1.9001 3.1352 3.1352 4.0364 4.0364 4.7822 4.7822 4.8456 4.8456 4.8513 4.8513 5.0965 5.0965 5.1029 5.1029 6.5055 6.5055 6.5252 6.5252 6.8543 6.8543 6.8709 6.8709 13.5159 13.5159 14.3661 14.3661 15.9160 15.9160 17.1766 17.1766 19.6389 19.6396 k = 0.3857 0.1809 0.1198 ( 2917 PWs) bands (ev): -12.6710 -12.6710 -12.1008 -12.1008 -10.2499 -10.2499 -10.2494 -10.2494 -10.1948 -10.1948 -10.1939 -10.1939 -0.1146 -0.1146 0.1846 0.1846 1.1671 1.1671 1.1756 1.1756 1.5706 1.5706 1.5819 1.5819 1.8045 1.8045 3.2006 3.2006 3.9937 3.9937 4.8326 4.8326 4.8400 4.8400 4.8527 4.8527 5.1146 5.1146 5.1210 5.1210 6.4852 6.4852 6.5050 6.5050 6.8816 6.8816 6.8980 6.8980 13.4783 13.4783 14.4438 14.4438 15.8205 15.8205 17.2569 17.2569 19.5886 19.5897 k = 0.3714 0.1742 0.1154 ( 2917 PWs) bands (ev): -12.7023 -12.7023 -12.0642 -12.0642 -10.2529 -10.2529 -10.2525 -10.2525 -10.1913 -10.1913 -10.1904 -10.1904 -0.1268 -0.1268 0.2079 0.2079 1.1415 1.1415 1.1499 1.1499 1.5895 1.5895 1.6010 1.6010 1.7098 1.7098 3.2613 3.2613 3.9519 3.9519 4.8241 4.8241 4.8305 4.8305 4.9229 4.9229 5.1320 5.1320 5.1384 5.1384 6.4655 6.4655 6.4855 6.4855 6.9088 6.9088 6.9249 6.9249 13.4444 13.4444 14.5225 14.5225 15.7249 15.7249 17.3354 17.3354 19.5398 19.5403 k = 0.3571 0.1675 0.1109 ( 2923 PWs) bands (ev): -12.7328 -12.7328 -12.0279 -12.0279 -10.2559 -10.2559 -10.2555 -10.2555 -10.1878 -10.1878 -10.1869 -10.1869 -0.1381 -0.1381 0.2315 0.2315 1.1165 1.1165 1.1248 1.1248 1.6071 1.6071 1.6160 1.6160 1.6187 1.6187 3.3171 3.3171 3.9112 3.9112 4.8165 4.8165 4.8228 4.8228 4.9964 4.9964 5.1486 5.1486 5.1549 5.1549 6.4467 6.4467 6.4668 6.4668 6.9357 6.9357 6.9517 6.9517 13.4140 13.4140 14.6020 14.6020 15.6293 15.6293 17.4120 17.4120 19.4928 19.4929 k = 0.3429 0.1608 0.1065 ( 2923 PWs) bands (ev): -12.7624 -12.7624 -11.9921 -11.9921 -10.2587 -10.2587 -10.2583 -10.2583 -10.1844 -10.1844 -10.1835 -10.1835 -0.1485 -0.1485 0.2553 0.2553 1.0921 1.0921 1.1002 1.1002 1.5237 1.5237 1.6232 1.6232 1.6349 1.6349 3.3680 3.3680 3.8714 3.8714 4.8107 4.8107 4.8170 4.8170 5.0720 5.0720 5.1644 5.1644 5.1704 5.1704 6.4286 6.4286 6.4488 6.4488 6.9624 6.9624 6.9781 6.9781 13.3872 13.3872 14.6820 14.6820 15.5339 15.5339 17.4865 17.4865 19.4475 19.4475 k = 0.3286 0.1541 0.1021 ( 2917 PWs) bands (ev): -12.7911 -12.7911 -11.9567 -11.9567 -10.2615 -10.2615 -10.2611 -10.2611 -10.1811 -10.1811 -10.1801 -10.1801 -0.1579 -0.1579 0.2792 0.2792 1.0684 1.0684 1.0765 1.0765 1.4328 1.4328 1.6379 1.6379 1.6497 1.6497 3.4141 3.4141 3.8327 3.8327 4.8070 4.8070 4.8133 4.8133 5.1483 5.1483 5.1804 5.1804 5.1850 5.1850 6.4113 6.4113 6.4317 6.4317 6.9887 6.9887 7.0042 7.0042 13.3640 13.3640 14.7623 14.7623 15.4389 15.4389 17.5588 17.5588 19.4040 19.4044 k = 0.3143 0.1474 0.0976 ( 2917 PWs) bands (ev): -12.8189 -12.8189 -11.9220 -11.9220 -10.2642 -10.2642 -10.2638 -10.2638 -10.1778 -10.1778 -10.1768 -10.1768 -0.1664 -0.1664 0.3031 0.3031 1.0455 1.0455 1.0535 1.0535 1.3438 1.3438 1.6510 1.6510 1.6630 1.6630 3.4555 3.4555 3.7951 3.7951 4.8053 4.8053 4.8116 4.8116 5.1897 5.1897 5.1983 5.1983 5.2317 5.2317 6.3948 6.3948 6.4153 6.4153 7.0145 7.0145 7.0297 7.0297 13.3443 13.3443 14.8425 14.8425 15.3443 15.3443 17.6288 17.6288 19.3626 19.3627 k = 0.3000 0.1407 0.0932 ( 2908 PWs) bands (ev): -12.8457 -12.8457 -11.8879 -11.8879 -10.2667 -10.2667 -10.2664 -10.2664 -10.1746 -10.1746 -10.1736 -10.1736 -0.1739 -0.1739 0.3269 0.3269 1.0235 1.0235 1.0313 1.0313 1.2566 1.2566 1.6626 1.6626 1.6747 1.6747 3.4923 3.4923 3.7586 3.7586 4.8058 4.8058 4.8120 4.8120 5.2029 5.2029 5.2105 5.2105 5.3112 5.3112 6.3791 6.3791 6.3997 6.3997 7.0397 7.0397 7.0547 7.0547 13.3280 13.3280 14.9223 14.9223 15.2504 15.2504 17.6964 17.6964 19.3233 19.3233 k = 0.2857 0.1340 0.0888 ( 2899 PWs) bands (ev): -12.8714 -12.8714 -11.8547 -11.8547 -10.2692 -10.2692 -10.2689 -10.2689 -10.1715 -10.1715 -10.1705 -10.1705 -0.1804 -0.1804 0.3506 0.3506 1.0023 1.0023 1.0100 1.0100 1.1716 1.1716 1.6728 1.6728 1.6849 1.6849 3.5248 3.5248 3.7233 3.7233 4.8083 4.8083 4.8146 4.8146 5.2140 5.2140 5.2214 5.2214 5.3924 5.3924 6.3642 6.3642 6.3848 6.3848 7.0641 7.0641 7.0790 7.0790 13.3151 13.3151 15.0014 15.0014 15.1574 15.1574 17.7615 17.7615 19.2862 19.2862 k = 0.2714 0.1273 0.0843 ( 2899 PWs) bands (ev): -12.8961 -12.8961 -11.8223 -11.8223 -10.2716 -10.2716 -10.2713 -10.2713 -10.1685 -10.1685 -10.1675 -10.1675 -0.1860 -0.1860 0.3741 0.3741 0.9821 0.9821 0.9897 0.9897 1.0889 1.0889 1.6814 1.6814 1.6937 1.6937 3.5532 3.5532 3.6892 3.6892 4.8129 4.8129 4.8191 4.8191 5.2237 5.2237 5.2310 5.2310 5.4740 5.4740 6.3501 6.3501 6.3707 6.3707 7.0878 7.0878 7.1025 7.1025 13.3056 13.3056 15.0654 15.0654 15.0795 15.0795 17.8238 17.8238 19.2513 19.2513 k = 0.2571 0.1206 0.0799 ( 2881 PWs) bands (ev): -12.9197 -12.9197 -11.7909 -11.7909 -10.2738 -10.2738 -10.2735 -10.2735 -10.1656 -10.1656 -10.1645 -10.1645 -0.1905 -0.1905 0.3973 0.3973 0.9628 0.9628 0.9703 0.9703 1.0086 1.0086 1.6887 1.6887 1.7010 1.7010 3.5778 3.5778 3.6564 3.6564 4.8195 4.8195 4.8258 4.8258 5.2319 5.2319 5.2392 5.2392 5.5554 5.5554 6.3367 6.3367 6.3575 6.3575 7.1106 7.1106 7.1251 7.1251 13.2992 13.2992 14.9746 14.9746 15.1563 15.1563 17.8834 17.8834 19.2187 19.2187 k = 0.2429 0.1139 0.0754 ( 2881 PWs) bands (ev): -12.9422 -12.9422 -11.7605 -11.7605 -10.2759 -10.2759 -10.2757 -10.2757 -10.1628 -10.1628 -10.1617 -10.1617 -0.1939 -0.1939 0.4200 0.4200 0.9310 0.9310 0.9445 0.9445 0.9519 0.9519 1.6946 1.6946 1.7069 1.7069 3.5990 3.5990 3.6249 3.6249 4.8280 4.8280 4.8343 4.8343 5.2387 5.2387 5.2460 5.2460 5.6363 5.6363 6.3242 6.3242 6.3450 6.3450 7.1324 7.1324 7.1468 7.1468 13.2960 13.2960 14.8852 14.8852 15.2315 15.2315 17.9400 17.9400 19.1884 19.1885 k = 0.2286 0.1072 0.0710 ( 2881 PWs) bands (ev): -12.9635 -12.9635 -11.7313 -11.7313 -10.2779 -10.2779 -10.2777 -10.2777 -10.1601 -10.1601 -10.1590 -10.1590 -0.1964 -0.1964 0.4422 0.4422 0.8561 0.8561 0.9272 0.9272 0.9346 0.9346 1.6992 1.6992 1.7116 1.7116 3.5947 3.5947 3.6171 3.6171 4.8384 4.8384 4.8447 4.8447 5.2440 5.2440 5.2513 5.2513 5.7160 5.7160 6.3124 6.3124 6.3332 6.3332 7.1533 7.1533 7.1675 7.1675 13.2957 13.2957 14.7974 14.7974 15.3046 15.3046 17.9936 17.9936 19.1605 19.1605 k = 0.2143 0.1005 0.0666 ( 2893 PWs) bands (ev): -12.9837 -12.9837 -11.7034 -11.7034 -10.2799 -10.2799 -10.2796 -10.2796 -10.1575 -10.1575 -10.1564 -10.1564 -0.1977 -0.1977 0.4638 0.4638 0.7840 0.7840 0.9110 0.9110 0.9182 0.9182 1.7027 1.7027 1.7151 1.7151 3.5661 3.5661 3.6321 3.6321 4.8505 4.8505 4.8568 4.8568 5.2478 5.2478 5.2551 5.2551 5.7940 5.7940 6.3014 6.3014 6.3222 6.3222 7.1730 7.1730 7.1871 7.1871 13.2983 13.2983 14.7113 14.7113 15.3753 15.3753 18.0440 18.0440 19.1349 19.1350 k = 0.2000 0.0938 0.0621 ( 2893 PWs) bands (ev): -13.0026 -13.0026 -11.6768 -11.6768 -10.2816 -10.2816 -10.2814 -10.2814 -10.1551 -10.1551 -10.1540 -10.1540 -0.1979 -0.1979 0.4846 0.4846 0.7150 0.7150 0.8958 0.8958 0.9030 0.9030 1.7051 1.7051 1.7176 1.7176 3.5389 3.5389 3.6446 3.6446 4.8642 4.8642 4.8705 4.8705 5.2502 5.2502 5.2574 5.2574 5.8698 5.8698 6.2911 6.2911 6.3120 6.3120 7.1915 7.1915 7.2055 7.2055 13.3037 13.3037 14.6273 14.6273 15.4434 15.4434 18.0911 18.0911 19.1116 19.1117 k = 0.1857 0.0871 0.0577 ( 2890 PWs) bands (ev): -13.0204 -13.0204 -11.6515 -11.6515 -10.2833 -10.2833 -10.2831 -10.2831 -10.1528 -10.1528 -10.1517 -10.1517 -0.1971 -0.1971 0.5046 0.5046 0.6491 0.6491 0.8817 0.8817 0.8888 0.8888 1.7066 1.7066 1.7191 1.7191 3.5134 3.5134 3.6549 3.6549 4.8794 4.8794 4.8857 4.8857 5.2510 5.2510 5.2582 5.2582 5.9431 5.9431 6.2816 6.2816 6.3025 6.3025 7.2089 7.2089 7.2228 7.2228 13.3117 13.3117 14.5456 14.5456 15.5085 15.5085 18.1349 18.1349 19.0906 19.0906 k = 0.1714 0.0804 0.0533 ( 2899 PWs) bands (ev): -13.0369 -13.0369 -11.6278 -11.6278 -10.2849 -10.2849 -10.2847 -10.2847 -10.1507 -10.1507 -10.1495 -10.1495 -0.1952 -0.1952 0.5237 0.5237 0.5864 0.5864 0.8686 0.8686 0.8757 0.8757 1.7073 1.7073 1.7198 1.7198 3.4894 3.4894 3.6631 3.6631 4.8958 4.8958 4.9021 4.9021 5.2502 5.2502 5.2574 5.2574 6.0132 6.0132 6.2729 6.2729 6.2938 6.2938 7.2251 7.2251 7.2389 7.2389 13.3222 13.3222 14.4663 14.4663 15.5702 15.5702 18.1753 18.1753 19.0718 19.0718 k = 0.1571 0.0737 0.0488 ( 2902 PWs) bands (ev): -13.0522 -13.0522 -11.6057 -11.6057 -10.2863 -10.2863 -10.2861 -10.2861 -10.1487 -10.1487 -10.1475 -10.1475 -0.1921 -0.1921 0.5269 0.5269 0.5418 0.5418 0.8566 0.8566 0.8636 0.8636 1.7074 1.7074 1.7198 1.7198 3.4672 3.4672 3.6696 3.6696 4.9134 4.9134 4.9197 4.9197 5.2479 5.2479 5.2551 5.2551 6.0797 6.0797 6.2649 6.2649 6.2858 6.2858 7.2399 7.2399 7.2537 7.2537 13.3350 13.3350 14.3897 14.3897 15.6284 15.6284 18.2122 18.2122 19.0551 19.0551 k = 0.1429 0.0670 0.0444 ( 2893 PWs) bands (ev): -13.0662 -13.0662 -11.5851 -11.5851 -10.2876 -10.2876 -10.2874 -10.2874 -10.1468 -10.1468 -10.1457 -10.1457 -0.1879 -0.1879 0.4710 0.4710 0.5586 0.5586 0.8457 0.8457 0.8526 0.8526 1.7068 1.7068 1.7193 1.7193 3.4467 3.4467 3.6746 3.6746 4.9319 4.9319 4.9382 4.9382 5.2441 5.2441 5.2512 5.2512 6.1422 6.1422 6.2576 6.2576 6.2786 6.2786 7.2536 7.2536 7.2673 7.2673 13.3500 13.3500 14.3160 14.3160 15.6826 15.6826 18.2456 18.2456 19.0404 19.0404 k = 0.1286 0.0603 0.0399 ( 2869 PWs) bands (ev): -13.0789 -13.0789 -11.5663 -11.5663 -10.2888 -10.2888 -10.2886 -10.2886 -10.1451 -10.1451 -10.1440 -10.1440 -0.1827 -0.1827 0.4187 0.4187 0.5743 0.5743 0.8359 0.8359 0.8427 0.8427 1.7059 1.7059 1.7184 1.7184 3.4279 3.4279 3.6784 3.6784 4.9511 4.9511 4.9574 4.9574 5.2387 5.2387 5.2458 5.2458 6.2002 6.2002 6.2511 6.2511 6.2721 6.2721 7.2659 7.2659 7.2796 7.2796 13.3671 13.3671 14.2455 14.2455 15.7327 15.7327 18.2757 18.2757 19.0276 19.0277 k = 0.1143 0.0536 0.0355 ( 2869 PWs) bands (ev): -13.0903 -13.0903 -11.5493 -11.5493 -10.2898 -10.2898 -10.2897 -10.2897 -10.1436 -10.1436 -10.1424 -10.1424 -0.1765 -0.1765 0.3701 0.3701 0.5885 0.5885 0.8271 0.8271 0.8339 0.8339 1.7047 1.7047 1.7172 1.7172 3.4111 3.4111 3.6812 3.6812 4.9709 4.9709 4.9772 4.9772 5.2318 5.2318 5.2389 5.2389 6.2453 6.2453 6.2534 6.2534 6.2663 6.2663 7.2769 7.2769 7.2905 7.2905 13.3861 13.3861 14.1784 14.1784 15.7783 15.7783 18.3023 18.3023 19.0167 19.0167 k = 0.1000 0.0469 0.0311 ( 2869 PWs) bands (ev): -13.1004 -13.1004 -11.5342 -11.5342 -10.2908 -10.2908 -10.2906 -10.2906 -10.1423 -10.1423 -10.1411 -10.1411 -0.1694 -0.1694 0.3254 0.3254 0.6014 0.6014 0.8193 0.8193 0.8261 0.8261 1.7033 1.7033 1.7158 1.7158 3.3961 3.3961 3.6831 3.6831 4.9911 4.9911 4.9974 4.9974 5.2235 5.2235 5.2305 5.2305 6.2402 6.2402 6.2612 6.2612 6.3013 6.3013 7.2866 7.2866 7.3002 7.3002 13.4067 13.4067 14.1151 14.1151 15.8191 15.8191 18.3255 18.3255 19.0074 19.0074 k = 0.0857 0.0402 0.0266 ( 2881 PWs) bands (ev): -13.1091 -13.1091 -11.5209 -11.5209 -10.2916 -10.2916 -10.2915 -10.2915 -10.1411 -10.1411 -10.1399 -10.1399 -0.1615 -0.1615 0.2848 0.2848 0.6127 0.6127 0.8127 0.8127 0.8194 0.8194 1.7019 1.7019 1.7143 1.7143 3.3830 3.3830 3.6844 3.6844 5.0114 5.0114 5.0177 5.0177 5.2137 5.2137 5.2206 5.2206 6.2358 6.2358 6.2568 6.2568 6.3435 6.3435 7.2950 7.2950 7.3085 7.3085 13.4286 13.4286 14.0559 14.0559 15.8549 15.8549 18.3454 18.3454 18.9996 18.9997 k = 0.0714 0.0335 0.0222 ( 2881 PWs) bands (ev): -13.1166 -13.1166 -11.5096 -11.5096 -10.2923 -10.2923 -10.2921 -10.2921 -10.1401 -10.1401 -10.1389 -10.1389 -0.1532 -0.1532 0.2487 0.2487 0.6224 0.6224 0.8070 0.8070 0.8138 0.8138 1.7005 1.7005 1.7129 1.7129 3.3718 3.3718 3.6852 3.6852 5.0317 5.0317 5.0381 5.0381 5.2025 5.2025 5.2094 5.2094 6.2321 6.2321 6.2531 6.2531 6.3799 6.3799 7.3021 7.3021 7.3156 7.3156 13.4514 13.4514 14.0015 14.0015 15.8857 15.8857 18.3620 18.3620 18.9933 18.9934 k = 0.0571 0.0268 0.0178 ( 2881 PWs) bands (ev): -13.1227 -13.1227 -11.5003 -11.5003 -10.2928 -10.2928 -10.2927 -10.2927 -10.1393 -10.1393 -10.1381 -10.1381 -0.1449 -0.1449 0.2176 0.2176 0.6304 0.6304 0.8024 0.8024 0.8091 0.8091 1.6992 1.6992 1.7117 1.7117 3.3627 3.3627 3.6856 3.6856 5.0519 5.0519 5.0583 5.0583 5.1900 5.1900 5.1968 5.1968 6.2291 6.2291 6.2501 6.2501 6.4100 6.4100 7.3078 7.3078 7.3214 7.3214 13.4742 13.4742 13.9527 13.9527 15.9110 15.9110 18.3755 18.3755 18.9884 18.9884 k = 0.0429 0.0201 0.0133 ( 2881 PWs) bands (ev): -13.1274 -13.1274 -11.4931 -11.4931 -10.2933 -10.2933 -10.2932 -10.2932 -10.1386 -10.1386 -10.1374 -10.1374 -0.1372 -0.1372 0.1920 0.1920 0.6367 0.6367 0.7988 0.7988 0.8056 0.8056 1.6982 1.6982 1.7106 1.7106 3.3556 3.3556 3.6859 3.6859 5.0717 5.0717 5.0782 5.0782 5.1762 5.1762 5.1830 5.1830 6.2268 6.2268 6.2477 6.2477 6.4337 6.4337 7.3123 7.3123 7.3258 7.3258 13.4960 13.4960 13.9106 13.9106 15.9309 15.9309 18.3859 18.3859 18.9846 18.9848 k = 0.0286 0.0134 0.0089 ( 2902 PWs) bands (ev): -13.1308 -13.1308 -11.4879 -11.4879 -10.2936 -10.2936 -10.2935 -10.2935 -10.1382 -10.1382 -10.1370 -10.1370 -0.1307 -0.1307 0.1728 0.1728 0.6412 0.6412 0.7963 0.7963 0.8030 0.8030 1.6974 1.6974 1.7098 1.7098 3.3505 3.3505 3.6860 3.6860 5.0911 5.0911 5.0975 5.0975 5.1612 5.1612 5.1679 5.1679 6.2251 6.2251 6.2460 6.2460 6.4507 6.4507 7.3155 7.3155 7.3290 7.3290 13.5147 13.5147 13.8773 13.8773 15.9452 15.9452 18.3933 18.3933 18.9820 18.9839 k = 0.0143 0.0067 0.0044 ( 2905 PWs) bands (ev): -13.1329 -13.1329 -11.4847 -11.4847 -10.2938 -10.2938 -10.2937 -10.2937 -10.1379 -10.1379 -10.1367 -10.1367 -0.1263 -0.1263 0.1608 0.1608 0.6440 0.6440 0.7948 0.7948 0.8015 0.8015 1.6969 1.6969 1.7093 1.7093 3.3474 3.3474 3.6860 3.6860 5.1097 5.1097 5.1162 5.1162 5.1452 5.1452 5.1519 5.1519 6.2241 6.2241 6.2450 6.2450 6.4610 6.4610 7.3174 7.3174 7.3309 7.3309 13.5278 13.5278 13.8555 13.8555 15.9538 15.9538 18.3977 18.3977 18.9804 18.9969 k = 0.0000 0.0000 0.0000 ( 2905 PWs) bands (ev): -13.1335 -13.1335 -11.4837 -11.4837 -10.2938 -10.2938 -10.2937 -10.2937 -10.1378 -10.1378 -10.1366 -10.1366 -0.1248 -0.1248 0.1567 0.1567 0.6449 0.6449 0.7943 0.7943 0.8010 0.8010 1.6967 1.6967 1.7091 1.7091 3.3464 3.3464 3.6860 3.6860 5.1253 5.1253 5.1305 5.1305 5.1315 5.1315 5.1374 5.1374 6.2238 6.2238 6.2447 6.2447 6.4644 6.4644 7.3180 7.3180 7.3315 7.3315 13.5326 13.5326 13.8477 13.8477 15.9567 15.9567 18.3991 18.3991 18.9799 18.9799 k = 0.0000 0.0000 0.0000 ( 2905 PWs) bands (ev): -13.1335 -13.1335 -11.4837 -11.4837 -10.2938 -10.2938 -10.2937 -10.2937 -10.1378 -10.1378 -10.1366 -10.1366 -0.1248 -0.1248 0.1567 0.1567 0.6449 0.6449 0.7943 0.7943 0.8010 0.8010 1.6967 1.6967 1.7091 1.7091 3.3464 3.3464 3.6860 3.6860 5.1253 5.1253 5.1305 5.1305 5.1315 5.1315 5.1374 5.1374 6.2238 6.2238 6.2447 6.2447 6.4644 6.4644 7.3180 7.3180 7.3315 7.3315 13.5326 13.5326 13.8477 13.8477 15.9567 15.9567 18.3991 18.3991 18.9799 18.9801 k = 0.0071-0.0059-0.0138 ( 2901 PWs) bands (ev): -13.1328 -13.1328 -11.4834 -11.4834 -10.2946 -10.2946 -10.2943 -10.2943 -10.1381 -10.1381 -10.1369 -10.1369 -0.1239 -0.1239 0.1571 0.1571 0.6352 0.6352 0.7954 0.7954 0.8102 0.8102 1.6965 1.6965 1.7095 1.7095 3.3500 3.3500 3.6887 3.6887 5.1006 5.1006 5.1061 5.1061 5.1540 5.1540 5.1596 5.1596 6.2222 6.2222 6.2432 6.2432 6.4656 6.4656 7.3166 7.3166 7.3302 7.3302 13.5332 13.5332 13.8508 13.8508 15.9543 15.9543 18.4017 18.4017 18.9738 18.9739 k = 0.0141-0.0117-0.0277 ( 2903 PWs) bands (ev): -13.1305 -13.1305 -11.4824 -11.4824 -10.2972 -10.2972 -10.2958 -10.2958 -10.1391 -10.1391 -10.1376 -10.1376 -0.1212 -0.1212 0.1582 0.1582 0.6120 0.6120 0.7916 0.7916 0.8392 0.8392 1.6939 1.6939 1.7127 1.7127 3.3608 3.3608 3.6968 3.6968 5.0709 5.0709 5.0764 5.0764 5.1770 5.1770 5.1826 5.1826 6.2169 6.2169 6.2392 6.2392 6.4691 6.4691 7.3113 7.3113 7.3267 7.3267 13.5351 13.5351 13.8601 13.8601 15.9474 15.9474 18.4092 18.4092 18.9466 18.9466 k = 0.0212-0.0176-0.0415 ( 2899 PWs) bands (ev): -13.1267 -13.1267 -11.4807 -11.4807 -10.3014 -10.3014 -10.2983 -10.2983 -10.1410 -10.1410 -10.1386 -10.1386 -0.1168 -0.1168 0.1600 0.1600 0.5837 0.5837 0.7846 0.7846 0.8780 0.8780 1.6868 1.6868 1.7209 1.7209 3.3787 3.3787 3.7100 3.7100 5.0388 5.0388 5.0445 5.0445 5.1978 5.1978 5.2034 5.2034 6.2069 6.2069 6.2339 6.2339 6.4747 6.4747 7.3012 7.3012 7.3226 7.3226 13.5382 13.5382 13.8754 13.8754 15.9359 15.9359 18.4217 18.4217 18.9008 18.9008 k = 0.0282-0.0235-0.0554 ( 2901 PWs) bands (ev): -13.1214 -13.1214 -11.4785 -11.4785 -10.3073 -10.3073 -10.3019 -10.3019 -10.1438 -10.1438 -10.1399 -10.1399 -0.1106 -0.1106 0.1624 0.1624 0.5545 0.5545 0.7750 0.7750 0.9222 0.9222 1.6761 1.6761 1.7333 1.7333 3.4035 3.4035 3.7281 3.7281 5.0042 5.0042 5.0106 5.0106 5.2163 5.2163 5.2221 5.2221 6.1913 6.1913 6.2283 6.2283 6.4825 6.4825 7.2858 7.2858 7.3181 7.3181 13.5426 13.5426 13.8967 13.8967 15.9202 15.9202 18.4391 18.4391 18.8433 18.8433 k = 0.0353-0.0293-0.0692 ( 2901 PWs) bands (ev): -13.1146 -13.1146 -11.4756 -11.4756 -10.3146 -10.3146 -10.3064 -10.3064 -10.1475 -10.1475 -10.1415 -10.1415 -0.1027 -0.1027 0.1655 0.1655 0.5260 0.5260 0.7631 0.7631 0.9698 0.9698 1.6624 1.6624 1.7497 1.7497 3.4348 3.4348 3.7507 3.7507 4.9670 4.9670 4.9750 4.9750 5.2326 5.2326 5.2386 5.2386 6.1704 6.1704 6.2224 6.2224 6.4921 6.4921 7.2658 7.2658 7.3131 7.3131 13.5481 13.5481 13.9237 13.9237 15.9004 15.9004 18.4611 18.4611 18.7784 18.7784 k = 0.0423-0.0352-0.0831 ( 2897 PWs) bands (ev): -13.1063 -13.1063 -11.4721 -11.4721 -10.3235 -10.3235 -10.3119 -10.3119 -10.1521 -10.1521 -10.1435 -10.1435 -0.0931 -0.0931 0.1692 0.1692 0.4992 0.4992 0.7494 0.7494 1.0201 1.0201 1.6462 1.6462 1.7696 1.7696 3.4723 3.4723 3.7774 3.7774 4.9271 4.9271 4.9380 4.9380 5.2465 5.2465 5.2530 5.2530 6.1444 6.1444 6.2161 6.2161 6.5035 6.5035 7.2415 7.2415 7.3074 7.3074 13.5548 13.5548 13.9564 13.9564 15.8768 15.8768 18.4876 18.4876 18.7091 18.7091 k = 0.0494-0.0411-0.0969 ( 2891 PWs) bands (ev): -13.0965 -13.0965 -11.4681 -11.4681 -10.3336 -10.3336 -10.3183 -10.3183 -10.1576 -10.1576 -10.1458 -10.1458 -0.0819 -0.0819 0.1733 0.1733 0.4746 0.4746 0.7341 0.7341 1.0725 1.0725 1.6279 1.6279 1.7930 1.7930 3.5155 3.5155 3.8075 3.8075 4.8844 4.8844 4.8999 4.8999 5.2581 5.2581 5.2655 5.2655 6.1140 6.1140 6.2093 6.2093 6.5164 6.5164 7.2135 7.2135 7.3008 7.3008 13.5626 13.5626 13.9944 13.9944 15.8500 15.8500 18.5182 18.5182 18.6374 18.6374 k = 0.0564-0.0469-0.1108 ( 2895 PWs) bands (ev): -13.0852 -13.0852 -11.4635 -11.4635 -10.3450 -10.3450 -10.3257 -10.3257 -10.1641 -10.1641 -10.1485 -10.1485 -0.0691 -0.0691 0.1779 0.1779 0.4525 0.4525 0.7177 0.7177 1.1267 1.1267 1.6079 1.6079 1.8197 1.8197 3.5641 3.5641 3.8405 3.8405 4.8389 4.8389 4.8607 4.8607 5.2673 5.2673 5.2761 5.2761 6.0793 6.0793 6.2020 6.2020 6.5308 6.5308 7.1821 7.1821 7.2934 7.2934 13.5715 13.5715 14.0376 14.0376 15.8201 15.8201 18.5510 18.5510 18.5660 18.5660 k = 0.0635-0.0528-0.1246 ( 2891 PWs) bands (ev): -13.0724 -13.0724 -11.4585 -11.4585 -10.3576 -10.3576 -10.3340 -10.3340 -10.1716 -10.1716 -10.1515 -10.1515 -0.0549 -0.0549 0.1828 0.1828 0.4332 0.4332 0.7006 0.7006 1.1824 1.1824 1.5865 1.5865 1.8497 1.8497 3.6175 3.6175 3.8757 3.8757 4.7905 4.7905 4.8209 4.8209 5.2739 5.2739 5.2849 5.2849 6.0408 6.0408 6.1942 6.1942 6.5463 6.5463 7.1477 7.1477 7.2853 7.2853 13.5815 13.5815 14.0855 14.0855 15.7876 15.7876 18.4902 18.4902 18.5913 18.5913 k = 0.0705-0.0587-0.1385 ( 2893 PWs) bands (ev): -13.0582 -13.0582 -11.4530 -11.4530 -10.3711 -10.3711 -10.3432 -10.3432 -10.1800 -10.1800 -10.1549 -10.1549 -0.0393 -0.0393 0.1877 0.1877 0.4171 0.4171 0.6834 0.6834 1.2396 1.2396 1.5642 1.5642 1.8826 1.8826 3.6754 3.6754 3.9122 3.9122 4.7393 4.7393 4.7807 4.7807 5.2779 5.2779 5.2921 5.2921 5.9987 5.9987 6.1860 6.1860 6.5628 6.5628 7.1109 7.1109 7.2763 7.2763 13.5924 13.5924 14.1380 14.1380 15.7530 15.7530 18.4171 18.4171 18.6324 18.6324 k = 0.0776-0.0645-0.1523 ( 2899 PWs) bands (ev): -13.0425 -13.0425 -11.4471 -11.4471 -10.3855 -10.3855 -10.3533 -10.3533 -10.1894 -10.1894 -10.1587 -10.1587 -0.0224 -0.0224 0.1925 0.1925 0.4043 0.4043 0.6664 0.6664 1.2980 1.2980 1.5412 1.5412 1.9183 1.9183 3.7371 3.7371 3.9493 3.9493 4.6852 4.6852 4.7407 4.7407 5.2790 5.2790 5.2979 5.2979 5.9536 5.9536 6.1775 6.1775 6.5801 6.5801 7.0720 7.0720 7.2665 7.2665 13.6042 13.6042 14.1947 14.1947 15.7166 15.7166 18.3445 18.3445 18.6761 18.6761 k = 0.0846-0.0704-0.1662 ( 2893 PWs) bands (ev): -13.0254 -13.0254 -11.4410 -11.4410 -10.4007 -10.4007 -10.3643 -10.3643 -10.1998 -10.1998 -10.1629 -10.1629 -0.0045 -0.0045 0.1970 0.1970 0.3952 0.3952 0.6502 0.6502 1.3574 1.3574 1.5180 1.5180 1.9568 1.9568 3.8022 3.8022 3.9858 3.9858 4.6283 4.6283 4.7015 4.7015 5.2771 5.2771 5.3023 5.3023 5.9059 5.9059 6.1688 6.1688 6.5982 6.5982 7.0315 7.0315 7.2561 7.2561 13.6168 13.6168 14.2553 14.2553 15.6788 15.6788 18.2730 18.2730 18.7220 18.7220 k = 0.0917-0.0763-0.1800 ( 2891 PWs) bands (ev): -13.0069 -13.0069 -11.4346 -11.4346 -10.4164 -10.4164 -10.3761 -10.3761 -10.2112 -10.2112 -10.1675 -10.1675 0.0143 0.0143 0.2010 0.2010 0.3899 0.3899 0.6353 0.6353 1.4176 1.4176 1.4947 1.4947 1.9976 1.9976 3.8702 3.8702 4.0205 4.0205 4.5686 4.5686 4.6640 4.6640 5.2719 5.2719 5.3056 5.3056 5.8562 5.8562 6.1599 6.1599 6.6169 6.6169 6.9898 6.9898 7.2451 7.2451 13.6303 13.6303 14.3194 14.3194 15.6399 15.6399 18.2027 18.2027 18.7692 18.7692 k = 0.0987-0.0821-0.1939 ( 2897 PWs) bands (ev): -12.9869 -12.9869 -11.4281 -11.4281 -10.4326 -10.4326 -10.3886 -10.3886 -10.2235 -10.2235 -10.1724 -10.1724 0.0338 0.0338 0.2045 0.2045 0.3886 0.3886 0.6222 0.6222 1.4712 1.4712 1.4789 1.4789 2.0406 2.0406 3.9406 3.9406 4.0519 4.0519 4.5061 4.5061 4.6292 4.6292 5.2629 5.2629 5.3079 5.3079 5.8051 5.8051 6.1511 6.1511 6.6359 6.6359 6.9474 6.9474 7.2334 7.2334 13.6445 13.6445 14.3868 14.3868 15.6003 15.6003 18.1338 18.1338 18.8172 18.8172 k = 0.1058-0.0880-0.2077 ( 2895 PWs) bands (ev): -12.9656 -12.9656 -11.4216 -11.4216 -10.4490 -10.4490 -10.4020 -10.4020 -10.2367 -10.2367 -10.1777 -10.1777 0.0536 0.0536 0.2074 0.2074 0.3912 0.3912 0.6113 0.6113 1.4491 1.4491 1.5399 1.5399 2.0856 2.0856 4.0128 4.0128 4.0781 4.0781 4.4410 4.4410 4.5989 4.5989 5.2499 5.2499 5.3094 5.3094 5.7534 5.7534 6.1423 6.1423 6.6553 6.6553 6.9048 6.9048 7.2213 7.2213 13.6593 13.6593 14.4572 14.4572 15.5602 15.5602 18.0666 18.0666 18.8650 18.8650 k = 0.1128-0.0939-0.2216 ( 2897 PWs) bands (ev): -12.9429 -12.9429 -11.4151 -11.4151 -10.4656 -10.4656 -10.4161 -10.4161 -10.2508 -10.2508 -10.1834 -10.1834 0.0735 0.0735 0.2101 0.2101 0.3974 0.3974 0.6033 0.6033 1.4273 1.4273 1.6015 1.6015 2.1322 2.1322 4.0854 4.0854 4.0977 4.0977 4.3734 4.3734 4.5748 4.5748 5.2321 5.2321 5.3103 5.3103 5.7020 5.7020 6.1338 6.1338 6.6749 6.6749 6.8623 6.8623 7.2087 7.2087 13.6747 13.6747 14.5301 14.5301 15.5200 15.5200 18.0010 18.0010 18.9116 18.9116 k = 0.1199-0.0997-0.2354 ( 2897 PWs) bands (ev): -12.9189 -12.9189 -11.4089 -11.4089 -10.4821 -10.4821 -10.4309 -10.4309 -10.2657 -10.2657 -10.1895 -10.1895 0.0931 0.0931 0.2128 0.2128 0.4071 0.4071 0.5987 0.5987 1.4064 1.4064 1.6631 1.6631 2.1801 2.1801 4.1050 4.1050 4.1612 4.1612 4.3035 4.3035 4.5590 4.5590 5.2091 5.2091 5.3108 5.3108 5.6518 5.6518 6.1257 6.1257 6.6945 6.6945 6.8202 6.8202 7.1958 7.1958 13.6907 13.6907 14.6054 14.6054 15.4800 15.4800 17.9373 17.9373 18.9559 18.9559 k = 0.1270-0.1056-0.2493 ( 2895 PWs) bands (ev): -12.8935 -12.8935 -11.4029 -11.4029 -10.4984 -10.4984 -10.4464 -10.4464 -10.2815 -10.2815 -10.1959 -10.1959 0.1120 0.1120 0.2159 0.2159 0.4197 0.4197 0.5980 0.5980 1.3866 1.3866 1.7244 1.7244 2.2290 2.2290 4.1028 4.1028 4.2287 4.2287 4.2381 4.2381 4.5528 4.5528 5.1803 5.1803 5.3111 5.3111 5.6037 5.6037 6.1181 6.1181 6.7142 6.7142 6.7791 6.7791 7.1826 7.1826 13.7071 13.7071 14.6827 14.6827 15.4403 15.4403 17.8755 17.8755 18.9962 18.9962 k = 0.1340-0.1115-0.2631 ( 2903 PWs) bands (ev): -12.8669 -12.8669 -11.3975 -11.3975 -10.5142 -10.5142 -10.4625 -10.4625 -10.2980 -10.2980 -10.2026 -10.2026 0.1298 0.1298 0.2196 0.2196 0.4350 0.4350 0.6018 0.6018 1.3681 1.3681 1.7852 1.7852 2.2784 2.2784 4.0892 4.0892 4.1575 4.1575 4.3084 4.3084 4.5565 4.5565 5.1452 5.1452 5.3116 5.3116 5.5586 5.5586 6.1112 6.1112 6.7330 6.7330 6.7397 6.7397 7.1692 7.1692 13.7239 13.7239 14.7617 14.7617 15.4012 15.4012 17.8157 17.8157 19.0307 19.0307 k = 0.1411-0.1173-0.2770 ( 2903 PWs) bands (ev): -12.8390 -12.8390 -11.3927 -11.3927 -10.5294 -10.5294 -10.4793 -10.4793 -10.3151 -10.3151 -10.2097 -10.2097 0.1463 0.1463 0.2243 0.2243 0.4527 0.4527 0.6105 0.6105 1.3509 1.3509 1.8450 1.8450 2.3280 2.3280 4.0653 4.0653 4.0829 4.0829 4.3780 4.3780 4.5698 4.5698 5.1038 5.1038 5.3123 5.3123 5.5169 5.5169 6.1053 6.1053 6.7001 6.7001 6.7533 6.7533 7.1558 7.1558 13.7410 13.7410 14.8422 14.8422 15.3629 15.3629 17.7580 17.7580 19.0566 19.0566 k = 0.1481-0.1232-0.2908 ( 2903 PWs) bands (ev): -12.8099 -12.8099 -11.3888 -11.3888 -10.5437 -10.5437 -10.4966 -10.4966 -10.3329 -10.3329 -10.2172 -10.2172 0.1614 0.1614 0.2301 0.2301 0.4724 0.4724 0.6243 0.6243 1.3352 1.3352 1.9035 1.9035 2.3773 2.3773 4.0058 4.0058 4.0352 4.0352 4.4411 4.4411 4.5931 4.5931 5.0566 5.0566 5.3137 5.3137 5.4788 5.4788 6.1003 6.1003 6.6631 6.6631 6.7724 6.7724 7.1424 7.1424 13.7585 13.7585 14.9238 14.9238 15.3255 15.3255 17.7024 17.7024 19.0610 19.0611 k = 0.1552-0.1291-0.3047 ( 2895 PWs) bands (ev): -12.7795 -12.7795 -11.3858 -11.3858 -10.5570 -10.5570 -10.5145 -10.5145 -10.3513 -10.3513 -10.2249 -10.2249 0.1750 0.1750 0.2372 0.2372 0.4940 0.4940 0.6433 0.6433 1.3211 1.3211 1.9601 1.9601 2.4256 2.4256 3.9299 3.9299 3.9981 3.9981 4.4923 4.4923 4.6287 4.6287 5.0045 5.0045 5.3160 5.3160 5.4440 5.4440 6.0966 6.0966 6.6277 6.6277 6.7911 6.7911 7.1292 7.1292 13.7763 13.7763 15.0064 15.0064 15.2892 15.2892 17.6490 17.6490 19.0018 19.0018 k = 0.1622-0.1349-0.3185 ( 2895 PWs) bands (ev): -12.7481 -12.7481 -11.3840 -11.3840 -10.5691 -10.5691 -10.5329 -10.5329 -10.3701 -10.3701 -10.2330 -10.2330 0.1873 0.1873 0.2458 0.2458 0.5174 0.5174 0.6675 0.6675 1.3086 1.3086 2.0141 2.0141 2.4724 2.4724 3.8544 3.8544 3.9572 3.9572 4.5281 4.5281 4.6775 4.6775 4.9484 4.9484 5.3194 5.3194 5.4119 5.4119 6.0942 6.0942 6.5942 6.5942 6.8093 6.8093 7.1163 7.1163 13.7943 13.7943 15.0896 15.0896 15.2540 15.2540 17.5978 17.5978 18.9355 18.9355 k = 0.1693-0.1408-0.3324 ( 2897 PWs) bands (ev): -12.7154 -12.7154 -11.3835 -11.3835 -10.5798 -10.5798 -10.5518 -10.5518 -10.3893 -10.3893 -10.2414 -10.2414 0.1986 0.1986 0.2558 0.2558 0.5422 0.5422 0.6965 0.6965 1.2979 1.2979 2.0647 2.0647 2.5170 2.5170 3.7804 3.7804 3.9136 3.9136 4.5511 4.5511 4.7348 4.7348 4.8899 4.8899 5.3242 5.3242 5.3820 5.3820 6.0934 6.0934 6.5627 6.5627 6.8269 6.8269 7.1039 7.1039 13.8127 13.8127 15.1732 15.1732 15.2202 15.2202 17.5490 17.5490 18.8649 18.8649 k = 0.1763-0.1467-0.3462 ( 2891 PWs) bands (ev): -12.6817 -12.6817 -11.3844 -11.3844 -10.5890 -10.5890 -10.5712 -10.5712 -10.4087 -10.4087 -10.2500 -10.2500 0.2093 0.2093 0.2674 0.2674 0.5686 0.5686 0.7301 0.7301 1.2889 1.2889 2.1108 2.1108 2.5586 2.5586 3.7092 3.7092 3.8681 3.8681 4.5654 4.5654 4.7943 4.7943 4.8303 4.8303 5.3308 5.3308 5.3539 5.3539 6.0941 6.0941 6.5331 6.5331 6.8438 6.8438 7.0921 7.0921 13.8312 13.8312 15.1877 15.1877 15.2570 15.2570 17.5026 17.5026 18.7910 18.7910 k = 0.1834-0.1525-0.3601 ( 2891 PWs) bands (ev): -12.6470 -12.6470 -11.3870 -11.3870 -10.5967 -10.5967 -10.5909 -10.5909 -10.4283 -10.4283 -10.2590 -10.2590 0.2198 0.2198 0.2805 0.2805 0.5962 0.5962 0.7678 0.7678 1.2818 1.2818 2.1512 2.1512 2.5966 2.5966 3.6421 3.6421 3.8215 3.8215 4.5735 4.5735 4.7702 4.7702 4.8530 4.8530 5.3257 5.3257 5.3412 5.3412 6.0964 6.0964 6.5055 6.5055 6.8596 6.8596 7.0812 7.0812 13.8501 13.8501 15.1566 15.1566 15.3407 15.3407 17.4587 17.4587 18.7144 18.7144 k = 0.1904-0.1584-0.3739 ( 2895 PWs) bands (ev): -12.6113 -12.6113 -11.3913 -11.3913 -10.6110 -10.6110 -10.6027 -10.6027 -10.4478 -10.4478 -10.2681 -10.2681 0.2305 0.2305 0.2951 0.2951 0.6251 0.6251 0.8093 0.8093 1.2765 1.2765 2.1841 2.1841 2.6301 2.6301 3.5808 3.5808 3.7741 3.7741 4.5765 4.5765 4.7118 4.7118 4.9069 4.9069 5.3000 5.3000 5.3530 5.3530 6.1004 6.1004 6.4798 6.4798 6.8743 6.8743 7.0715 7.0715 13.8692 13.8692 15.1269 15.1269 15.4241 15.4241 17.4173 17.4173 18.6360 18.6360 k = 0.1975-0.1643-0.3878 ( 2891 PWs) bands (ev): -12.5746 -12.5746 -11.3973 -11.3973 -10.6315 -10.6315 -10.6072 -10.6072 -10.4669 -10.4669 -10.2776 -10.2776 0.2418 0.2418 0.3113 0.3113 0.6552 0.6552 0.8541 0.8541 1.2731 1.2731 2.2078 2.2078 2.6587 2.6587 3.5271 3.5271 3.7265 3.7265 4.5748 4.5748 4.6560 4.6560 4.9546 4.9546 5.2747 5.2747 5.3692 5.3692 6.1059 6.1059 6.4560 6.4560 6.8874 6.8874 7.0633 7.0633 13.8887 13.8887 15.0986 15.0986 15.5068 15.5068 17.3786 17.3786 18.5563 18.5563 k = 0.2045-0.1701-0.4016 ( 2899 PWs) bands (ev): -12.5370 -12.5370 -11.4052 -11.4052 -10.6522 -10.6522 -10.6106 -10.6106 -10.4853 -10.4853 -10.2872 -10.2872 0.2539 0.2539 0.3288 0.3288 0.6862 0.6862 0.9021 0.9021 1.2716 1.2716 2.2200 2.2200 2.6821 2.6821 3.4823 3.4823 3.6789 3.6789 4.5686 4.5686 4.6043 4.6043 4.9944 4.9944 5.2501 5.2501 5.3899 5.3899 6.1128 6.1128 6.4340 6.4340 6.8986 6.8986 7.0569 7.0569 13.9086 13.9086 15.0718 15.0718 15.5887 15.5887 17.3427 17.3427 18.4758 18.4758 k = 0.2116-0.1760-0.4155 ( 2907 PWs) bands (ev): -12.4986 -12.4986 -11.4148 -11.4148 -10.6731 -10.6731 -10.6134 -10.6134 -10.5023 -10.5023 -10.2970 -10.2970 0.2671 0.2671 0.3478 0.3478 0.7183 0.7183 0.9527 0.9527 1.2721 1.2721 2.2189 2.2189 2.7000 2.7000 3.4479 3.4479 3.6315 3.6315 4.5515 4.5515 4.5645 4.5645 5.0253 5.0253 5.2262 5.2262 5.4154 5.4154 6.1211 6.1211 6.4137 6.4137 6.9076 6.9076 7.0528 7.0528 13.9290 13.9290 15.0463 15.0463 15.6695 15.6695 17.3097 17.3097 18.3951 18.3951 k = 0.2186-0.1819-0.4293 ( 2905 PWs) bands (ev): -12.4595 -12.4595 -11.4261 -11.4261 -10.6943 -10.6943 -10.6166 -10.6166 -10.5169 -10.5169 -10.3070 -10.3070 0.2817 0.2817 0.3682 0.3682 0.7512 0.7512 1.0058 1.0058 1.2745 1.2745 2.2034 2.2034 2.7124 2.7124 3.4241 3.4241 3.5846 3.5846 4.5126 4.5126 4.5487 4.5487 5.0471 5.0471 5.2031 5.2031 5.4453 5.4453 6.1304 6.1304 6.3951 6.3951 6.9141 6.9141 7.0512 7.0512 13.9500 13.9500 15.0222 15.0222 15.7489 15.7489 17.2798 17.2798 18.3147 18.3147 k = 0.2257-0.1877-0.4432 ( 2911 PWs) bands (ev): -12.4196 -12.4196 -11.4390 -11.4390 -10.7156 -10.7156 -10.6216 -10.6216 -10.5277 -10.5277 -10.3172 -10.3172 0.2979 0.2979 0.3898 0.3898 0.7849 0.7849 1.0610 1.0610 1.2790 1.2790 2.1733 2.1733 2.7190 2.7190 3.4109 3.4109 3.5383 3.5383 4.4776 4.4776 4.5325 4.5325 5.0605 5.0605 5.1809 5.1809 5.4784 5.4784 6.1406 6.1406 6.3780 6.3780 6.9181 6.9181 7.0520 7.0520 13.9716 13.9716 14.9992 14.9992 15.8266 15.8266 17.2532 17.2532 18.2349 18.2349 k = 0.2327-0.1936-0.4570 ( 2911 PWs) bands (ev): -12.3791 -12.3791 -11.4535 -11.4535 -10.7370 -10.7370 -10.6298 -10.6298 -10.5333 -10.5333 -10.3275 -10.3275 0.3156 0.3156 0.4127 0.4127 0.8193 0.8193 1.1178 1.1178 1.2858 1.2858 2.1295 2.1295 2.7193 2.7193 3.4073 3.4073 3.4928 3.4928 4.4493 4.4493 4.5137 4.5137 5.0665 5.0665 5.1600 5.1600 5.5133 5.5133 6.1514 6.1514 6.3623 6.3623 6.9197 6.9197 7.0550 7.0550 13.9941 13.9941 14.9774 14.9774 15.9022 15.9022 17.2300 17.2300 18.1563 18.1563 k = 0.2398-0.1995-0.4709 ( 2915 PWs) bands (ev): -12.3380 -12.3380 -11.4692 -11.4692 -10.7585 -10.7585 -10.6416 -10.6416 -10.5335 -10.5335 -10.3380 -10.3380 0.3352 0.3352 0.4366 0.4366 0.8542 0.8542 1.1755 1.1755 1.2955 1.2955 2.0738 2.0738 2.7126 2.7126 3.4121 3.4121 3.4483 3.4483 4.4282 4.4282 4.4926 4.4926 5.0664 5.0664 5.1404 5.1404 5.5483 5.5483 6.1627 6.1627 6.3480 6.3480 6.9196 6.9196 7.0596 7.0596 14.0174 14.0174 14.9566 14.9566 15.9755 15.9755 17.2105 17.2105 18.0790 18.0790 k = 0.2469-0.2053-0.4847 ( 2919 PWs) bands (ev): -12.2964 -12.2964 -11.4862 -11.4862 -10.7800 -10.7800 -10.6563 -10.6563 -10.5289 -10.5289 -10.3485 -10.3485 0.3565 0.3565 0.4615 0.4615 0.8894 0.8894 1.2315 1.2315 1.3104 1.3104 2.0085 2.0085 2.6981 2.6981 3.4043 3.4043 3.4246 3.4246 4.4139 4.4139 4.4693 4.4693 5.0612 5.0612 5.1225 5.1225 5.5821 5.5821 6.1741 6.1741 6.3349 6.3349 6.9181 6.9181 7.0651 7.0651 14.0417 14.0417 14.9367 14.9367 16.0460 16.0460 17.1950 17.1950 18.0036 18.0036 k = 0.2539-0.2112-0.4986 ( 2919 PWs) bands (ev): -12.2544 -12.2544 -11.5043 -11.5043 -10.8016 -10.8016 -10.6729 -10.6729 -10.5207 -10.5207 -10.3591 -10.3591 0.3797 0.3797 0.4872 0.4872 0.9250 0.9250 1.2774 1.2774 1.3387 1.3387 1.9357 1.9357 2.6757 2.6757 3.3621 3.3621 3.4425 3.4425 4.4060 4.4060 4.4441 4.4441 5.0520 5.0520 5.1067 5.1067 5.6135 5.6135 6.1857 6.1857 6.3229 6.3229 6.9159 6.9159 7.0709 7.0709 14.0672 14.0672 14.9174 14.9174 16.1133 16.1133 17.1837 17.1837 17.9303 17.9303 k = 0.2610-0.2171-0.5124 ( 2919 PWs) bands (ev): -12.2122 -12.2122 -11.5232 -11.5232 -10.8230 -10.8230 -10.6904 -10.6904 -10.5099 -10.5099 -10.3698 -10.3698 0.4048 0.4048 0.5135 0.5135 0.9605 0.9605 1.3046 1.3046 1.3888 1.3888 1.8575 1.8575 2.6454 2.6454 3.3211 3.3211 3.4652 3.4652 4.4025 4.4025 4.4182 4.4182 5.0393 5.0393 5.0932 5.0932 5.6417 5.6417 6.1971 6.1971 6.3120 6.3120 6.9132 6.9132 7.0765 7.0765 14.0939 14.0939 14.8987 14.8987 16.1770 16.1770 17.1771 17.1771 17.8595 17.8595 k = 0.2680-0.2229-0.5263 ( 2909 PWs) bands (ev): -12.1697 -12.1697 -11.5428 -11.5428 -10.8444 -10.8444 -10.7083 -10.7083 -10.4972 -10.4972 -10.3804 -10.3804 0.4318 0.4318 0.5403 0.5403 0.9957 0.9957 1.3231 1.3231 1.4506 1.4506 1.7757 1.7757 2.6078 2.6078 3.2816 3.2816 3.4915 3.4915 4.3861 4.3861 4.4079 4.4079 5.0238 5.0238 5.0824 5.0824 5.6662 5.6662 6.2083 6.2083 6.3020 6.3020 6.9102 6.9102 7.0816 7.0816 14.1220 14.1220 14.8803 14.8803 16.2368 16.2368 17.1753 17.1753 17.7914 17.7914 k = 0.2751-0.2288-0.5401 ( 2915 PWs) bands (ev): -12.1271 -12.1271 -11.5630 -11.5630 -10.8656 -10.8656 -10.7262 -10.7262 -10.4830 -10.4830 -10.3911 -10.3911 0.4607 0.4607 0.5671 0.5671 1.0303 1.0303 1.3399 1.3399 1.5168 1.5168 1.6922 1.6922 2.5639 2.5639 3.2436 3.2436 3.5204 3.5204 4.3568 4.3568 4.4123 4.4123 5.0058 5.0058 5.0748 5.0748 5.6865 5.6865 6.2191 6.2191 6.2929 6.2929 6.9070 6.9070 7.0858 7.0858 14.1515 14.1515 14.8620 14.8620 16.2922 16.2922 17.1786 17.1786 17.7263 17.7263 k = 0.2821-0.2347-0.5540 ( 2917 PWs) bands (ev): -12.0846 -12.0846 -11.5836 -11.5836 -10.8866 -10.8866 -10.7438 -10.7438 -10.4677 -10.4677 -10.4018 -10.4018 0.4915 0.4915 0.5937 0.5937 1.0635 1.0635 1.3567 1.3567 1.5852 1.5852 1.6088 1.6088 2.5148 2.5148 3.2073 3.2073 3.5508 3.5508 4.3255 4.3255 4.4192 4.4192 4.9858 4.9858 5.0708 5.0708 5.7023 5.7023 6.2295 6.2295 6.2846 6.2846 6.9036 6.9036 7.0888 7.0888 14.1826 14.1826 14.8438 14.8438 16.3430 16.3430 17.1872 17.1872 17.6645 17.6645 k = 0.2892-0.2405-0.5678 ( 2913 PWs) bands (ev): -12.0423 -12.0423 -11.6045 -11.6045 -10.9075 -10.9075 -10.7608 -10.7608 -10.4516 -10.4516 -10.4124 -10.4124 0.5241 0.5241 0.6195 0.6195 1.0943 1.0943 1.3741 1.3741 1.5272 1.5272 1.6557 1.6557 2.4615 2.4615 3.1728 3.1728 3.5820 3.5820 4.2930 4.2930 4.4268 4.4268 4.9639 4.9639 5.0705 5.0705 5.7136 5.7136 6.2394 6.2394 6.2771 6.2771 6.9000 6.9000 7.0906 7.0906 14.2152 14.2152 14.8253 14.8253 16.3891 16.3891 17.2010 17.2010 17.6062 17.6062 k = 0.2962-0.2464-0.5817 ( 2913 PWs) bands (ev): -12.0002 -12.0002 -11.6256 -11.6256 -10.9280 -10.9280 -10.7772 -10.7772 -10.4348 -10.4348 -10.4230 -10.4230 0.5586 0.5586 0.6436 0.6436 1.1205 1.1205 1.3921 1.3921 1.4516 1.4516 1.7273 1.7273 2.4052 2.4052 3.1402 3.1402 3.6133 3.6133 4.2595 4.2595 4.4342 4.4342 4.9404 4.9404 5.0743 5.0743 5.7203 5.7203 6.2485 6.2485 6.2705 6.2705 6.8961 6.8961 7.0909 7.0909 14.2495 14.2495 14.8064 14.8064 16.4305 16.4305 17.2200 17.2200 17.5516 17.5516 k = 0.3033-0.2523-0.5955 ( 2907 PWs) bands (ev): -11.9586 -11.9586 -11.6467 -11.6467 -10.9483 -10.9483 -10.7927 -10.7927 -10.4335 -10.4335 -10.4177 -10.4177 0.5948 0.5948 0.6648 0.6648 1.1374 1.1374 1.3874 1.3874 1.4109 1.4109 1.8000 1.8000 2.3471 2.3471 3.1097 3.1097 3.6442 3.6442 4.2251 4.2251 4.4405 4.4405 4.9155 4.9155 5.0821 5.0821 5.7224 5.7224 6.2557 6.2557 6.2657 6.2657 6.8917 6.8917 7.0897 7.0897 14.2855 14.2855 14.7870 14.7870 16.4675 16.4675 17.2438 17.2438 17.5008 17.5008 k = 0.3103-0.2581-0.6093 ( 2899 PWs) bands (ev): -11.9177 -11.9177 -11.6678 -11.6678 -10.9682 -10.9682 -10.8072 -10.8072 -10.4438 -10.4438 -10.4002 -10.4002 0.6327 0.6327 0.6810 0.6810 1.1372 1.1372 1.3452 1.3452 1.4300 1.4300 1.8737 1.8737 2.2882 2.2882 3.0814 3.0814 3.6742 3.6742 4.1900 4.1900 4.4452 4.4452 4.8894 4.8894 5.0939 5.0939 5.7202 5.7202 6.2556 6.2556 6.2681 6.2681 6.8867 6.8867 7.0870 7.0870 14.3230 14.3230 14.7670 14.7670 16.5004 16.5004 17.2716 17.2716 17.4539 17.4539 k = 0.3174-0.2640-0.6232 ( 2897 PWs) bands (ev): -11.8776 -11.8776 -11.6887 -11.6887 -10.9877 -10.9877 -10.8204 -10.8204 -10.4541 -10.4541 -10.3827 -10.3827 0.6722 0.6722 0.6892 0.6892 1.1158 1.1158 1.3314 1.3314 1.4494 1.4494 1.9481 1.9481 2.2296 2.2296 3.0554 3.0554 3.7028 3.7028 4.1543 4.1543 4.4481 4.4481 4.8622 4.8622 5.1093 5.1093 5.7137 5.7137 6.2512 6.2512 6.2746 6.2746 6.8810 6.8810 7.0827 7.0827 14.3622 14.3622 14.7463 14.7463 16.5299 16.5299 17.3028 17.3028 17.4109 17.4109 k = 0.3244-0.2699-0.6370 ( 2893 PWs) bands (ev): -11.8384 -11.8384 -11.7094 -11.7094 -11.0069 -11.0069 -10.8324 -10.8324 -10.4641 -10.4641 -10.3652 -10.3652 0.6846 0.6846 0.7136 0.7136 1.0855 1.0855 1.3382 1.3382 1.4690 1.4690 2.0231 2.0231 2.1725 2.1725 3.0318 3.0318 3.7300 3.7300 4.1182 4.1182 4.4492 4.4492 4.8340 4.8340 5.1278 5.1278 5.7033 5.7033 6.2465 6.2465 6.2810 6.2810 6.8744 6.8744 7.0768 7.0768 14.4027 14.4027 14.7249 14.7249 16.5566 16.5566 17.3364 17.3364 17.3719 17.3719 k = 0.3315-0.2757-0.6509 ( 2893 PWs) bands (ev): -11.8006 -11.8006 -11.7298 -11.7298 -11.0256 -11.0256 -10.8428 -10.8428 -10.4740 -10.4740 -10.3479 -10.3479 0.6638 0.6638 0.7561 0.7561 1.0617 1.0617 1.3533 1.3533 1.4887 1.4887 2.0979 2.0979 2.1186 2.1186 3.0107 3.0107 3.7553 3.7553 4.0817 4.0817 4.4485 4.4485 4.8050 4.8050 5.1491 5.1491 5.6890 5.6890 6.2422 6.2422 6.2867 6.2867 6.8669 6.8669 7.0694 7.0694 14.4444 14.4444 14.7030 14.7030 16.5811 16.5811 17.3366 17.3366 17.3716 17.3716 k = 0.3385-0.2816-0.6647 ( 2893 PWs) bands (ev): -11.7643 -11.7643 -11.7496 -11.7496 -11.0437 -11.0437 -10.8516 -10.8516 -10.4837 -10.4837 -10.3308 -10.3308 0.6256 0.6256 0.8001 0.8001 1.0516 1.0516 1.3699 1.3699 1.5081 1.5081 2.0670 2.0670 2.1745 2.1745 2.9923 2.9923 3.7787 3.7787 4.0450 4.0450 4.4463 4.4463 4.7752 4.7752 5.1724 5.1724 5.6711 5.6711 6.2381 6.2381 6.2918 6.2918 6.8582 6.8582 7.0607 7.0607 14.4868 14.4868 14.6809 14.6809 16.6042 16.6042 17.3052 17.3052 17.4071 17.4071 k = 0.3456-0.2875-0.6786 ( 2893 PWs) bands (ev): -11.7694 -11.7694 -11.7291 -11.7291 -11.0614 -11.0614 -10.8586 -10.8586 -10.4931 -10.4931 -10.3142 -10.3142 0.5734 0.5734 0.8453 0.8453 1.0545 1.0545 1.3842 1.3842 1.5273 1.5273 2.0220 2.0220 2.2501 2.2501 2.9767 2.9767 3.8001 3.8001 4.0084 4.0084 4.4429 4.4429 4.7449 4.7449 5.1972 5.1972 5.6498 5.6498 6.2343 6.2343 6.2963 6.2963 6.8485 6.8485 7.0506 7.0506 14.5284 14.5284 14.6600 14.6600 16.6263 16.6263 17.2774 17.2774 17.4419 17.4419 k = 0.3526-0.2933-0.6924 ( 2899 PWs) bands (ev): -11.7884 -11.7884 -11.6963 -11.6963 -11.0785 -11.0785 -10.8635 -10.8635 -10.5023 -10.5023 -10.2981 -10.2981 0.5121 0.5121 0.8917 0.8917 1.0667 1.0667 1.3938 1.3938 1.5459 1.5459 1.9838 1.9838 2.3254 2.3254 2.9639 2.9639 3.8193 3.8193 3.9719 3.9719 4.4385 4.4385 4.7140 4.7140 5.2230 5.2230 5.6251 5.6251 6.2308 6.2308 6.3001 6.3001 6.8375 6.8375 7.0393 7.0393 14.5637 14.5637 14.6457 14.6457 16.6479 16.6479 17.2530 17.2530 17.4750 17.4750 k = 0.3597-0.2992-0.7063 ( 2899 PWs) bands (ev): -11.8069 -11.8069 -11.6654 -11.6654 -11.0951 -11.0951 -10.8664 -10.8664 -10.5112 -10.5112 -10.2825 -10.2825 0.4458 0.4458 0.9391 0.9391 1.0844 1.0844 1.3971 1.3971 1.5638 1.5638 1.9542 1.9542 2.4002 2.4002 2.9542 2.9542 3.8365 3.8365 3.9358 3.9358 4.4334 4.4334 4.6827 4.6827 5.2492 5.2492 5.5974 5.5974 6.2276 6.2276 6.3034 6.3034 6.8254 6.8254 7.0269 7.0269 14.5744 14.5744 14.6564 14.6564 16.6693 16.6693 17.2317 17.2317 17.5052 17.5052 k = 0.6403-0.0647-0.5510 ( 2899 PWs) bands (ev): -11.8069 -11.8069 -11.6654 -11.6654 -11.0951 -11.0951 -10.8664 -10.8664 -10.5112 -10.5112 -10.2825 -10.2825 0.4458 0.4458 0.9391 0.9391 1.0844 1.0844 1.3971 1.3971 1.5638 1.5638 1.9542 1.9542 2.4002 2.4002 2.9542 2.9542 3.8365 3.8365 3.9358 3.9358 4.4334 4.4334 4.6827 4.6827 5.2492 5.2492 5.5974 5.5974 6.2276 6.2276 6.3034 6.3034 6.8254 6.8254 7.0269 7.0269 14.5744 14.5744 14.6564 14.6564 16.6693 16.6693 17.2317 17.2317 17.5052 17.5052 k = 0.6333-0.0498-0.5510 ( 2897 PWs) bands (ev): -11.8246 -11.8246 -11.6371 -11.6371 -11.1109 -11.1109 -10.8670 -10.8670 -10.5198 -10.5198 -10.2678 -10.2678 0.3778 0.3778 0.9871 0.9871 1.1048 1.1048 1.3935 1.3935 1.5808 1.5808 1.9340 1.9340 2.4735 2.4735 2.9476 2.9476 3.8515 3.8515 3.9007 3.9007 4.4279 4.4279 4.6514 4.6514 5.2753 5.2753 5.5669 5.5669 6.2246 6.2246 6.3062 6.3062 6.8122 6.8122 7.0138 7.0138 14.5593 14.5593 14.6930 14.6930 16.6909 16.6909 17.2134 17.2134 17.5312 17.5312 k = 0.6263-0.0348-0.5510 ( 2903 PWs) bands (ev): -11.8416 -11.8416 -11.6111 -11.6111 -11.1261 -11.1261 -10.8654 -10.8654 -10.5280 -10.5280 -10.2537 -10.2537 0.3096 0.3096 1.0358 1.0358 1.1258 1.1258 1.3834 1.3834 1.5968 1.5968 1.9233 1.9233 2.5451 2.5451 2.9443 2.9443 3.8618 3.8618 3.8693 3.8693 4.4221 4.4221 4.6201 4.6201 5.3010 5.3010 5.5336 5.5336 6.2218 6.2218 6.3087 6.3087 6.7979 6.7979 6.9999 6.9999 14.5362 14.5362 14.7377 14.7377 16.7128 16.7128 17.1976 17.1976 17.5523 17.5523 k = 0.6193-0.0198-0.5510 ( 2901 PWs) bands (ev): -11.8580 -11.8580 -11.5878 -11.5878 -11.1407 -11.1407 -10.8615 -10.8615 -10.5360 -10.5360 -10.2405 -10.2405 0.2423 0.2423 1.0849 1.0849 1.1452 1.1452 1.3688 1.3688 1.6118 1.6118 1.9211 1.9211 2.6142 2.6142 2.9447 2.9447 3.8328 3.8328 3.8766 3.8766 4.4162 4.4162 4.5888 4.5888 5.3261 5.3261 5.4976 5.4976 6.2193 6.2193 6.3111 6.3111 6.7827 6.7827 6.9855 6.9855 14.5108 14.5108 14.7848 14.7848 16.7352 16.7352 17.1840 17.1840 17.5677 17.5677 k = 0.6122-0.0049-0.5510 ( 2901 PWs) bands (ev): -11.8736 -11.8736 -11.5670 -11.5670 -11.1545 -11.1545 -10.8554 -10.8554 -10.5436 -10.5436 -10.2281 -10.2281 0.1767 0.1767 1.1344 1.1344 1.1605 1.1605 1.3531 1.3531 1.6257 1.6257 1.9260 1.9260 2.6793 2.6793 2.9496 2.9496 3.8015 3.8015 3.8860 3.8860 4.4103 4.4103 4.5579 4.5579 5.3502 5.3502 5.4592 5.4592 6.2169 6.2169 6.3133 6.3133 6.7665 6.7665 6.9707 6.9707 14.4847 14.4847 14.8327 14.8327 16.7582 16.7582 17.1722 17.1722 17.5770 17.5770 k = 0.6052 0.0101-0.5510 ( 2903 PWs) bands (ev): -11.8884 -11.8884 -11.5488 -11.5488 -11.1676 -11.1676 -10.8472 -10.8472 -10.5508 -10.5508 -10.2167 -10.2167 0.1134 0.1134 1.1679 1.1679 1.1840 1.1840 1.3413 1.3413 1.6384 1.6384 1.9362 1.9362 2.7382 2.7382 2.9605 2.9605 3.7723 3.7723 3.8939 3.8939 4.4044 4.4044 4.5276 4.5276 5.3730 5.3730 5.4187 5.4187 6.2148 6.2148 6.3155 6.3155 6.7495 6.7495 6.9557 6.9557 14.4585 14.4585 14.8807 14.8807 16.7818 16.7818 17.1620 17.1620 17.5806 17.5806 k = 0.5982 0.0250-0.5510 ( 2904 PWs) bands (ev): -11.9024 -11.9024 -11.5332 -11.5332 -11.1800 -11.1800 -10.8371 -10.8371 -10.5576 -10.5576 -10.2062 -10.2062 0.0529 0.0529 1.1643 1.1643 1.2333 1.2333 1.3377 1.3377 1.6500 1.6500 1.9501 1.9501 2.7876 2.7876 2.9799 2.9799 3.7456 3.7456 3.9005 3.9005 4.3986 4.3986 4.4982 4.4982 5.3736 5.3736 5.3968 5.3968 6.2128 6.2128 6.3178 6.3178 6.7319 6.7319 6.9408 6.9408 14.4325 14.4325 14.9283 14.9283 16.8059 16.8059 17.1531 17.1531 17.5789 17.5789 k = 0.5912 0.0400-0.5510 ( 2902 PWs) bands (ev): -11.9156 -11.9156 -11.5199 -11.5199 -11.1917 -11.1917 -10.8254 -10.8254 -10.5640 -10.5640 -10.1967 -10.1967 -0.0045 -0.0045 1.1496 1.1496 1.2822 1.2822 1.3437 1.3437 1.6605 1.6605 1.9664 1.9664 2.8243 2.8243 3.0100 3.0100 3.7219 3.7219 3.9058 3.9058 4.3930 4.3930 4.4702 4.4702 5.3294 5.3294 5.4162 5.4162 6.2110 6.2110 6.3203 6.3203 6.7138 6.7138 6.9260 6.9260 14.4071 14.4071 14.9751 14.9751 16.8305 16.8305 17.1453 17.1453 17.5729 17.5729 k = 0.5842 0.0550-0.5510 ( 2900 PWs) bands (ev): -11.9278 -11.9278 -11.5088 -11.5088 -11.2025 -11.2025 -10.8123 -10.8123 -10.5701 -10.5701 -10.1881 -10.1881 -0.0585 -0.0585 1.1273 1.1273 1.3301 1.3301 1.3564 1.3564 1.6700 1.6700 1.9840 1.9840 2.8481 2.8481 3.0500 3.0500 3.7017 3.7017 3.9099 3.9099 4.3875 4.3875 4.4442 4.4442 5.2825 5.2825 5.4350 5.4350 6.2094 6.2094 6.3231 6.3231 6.6954 6.6954 6.9116 6.9116 14.3826 14.3826 15.0206 15.0206 16.8553 16.8553 17.1382 17.1382 17.5637 17.5637 k = 0.5772 0.0699-0.5510 ( 2908 PWs) bands (ev): -11.9392 -11.9392 -11.4997 -11.4997 -11.2126 -11.2126 -10.7984 -10.7984 -10.5756 -10.5756 -10.1805 -10.1805 -0.1089 -0.1089 1.1011 1.1011 1.3719 1.3719 1.3775 1.3775 1.6787 1.6787 2.0020 2.0020 2.8618 2.8618 3.0961 3.0961 3.6852 3.6852 3.9132 3.9132 4.3822 4.3822 4.4206 4.4206 5.2339 5.2339 5.4523 5.4523 6.2080 6.2080 6.3262 6.3262 6.6768 6.6768 6.8976 6.8976 14.3592 14.3592 15.0646 15.0646 16.8803 16.8803 17.1318 17.1318 17.5519 17.5519 k = 0.5701 0.0849-0.5510 ( 2904 PWs) bands (ev): -11.9497 -11.9497 -11.4924 -11.4924 -11.2218 -11.2218 -10.7839 -10.7839 -10.5808 -10.5808 -10.1739 -10.1739 -0.1555 -0.1555 1.0737 1.0737 1.3901 1.3901 1.4220 1.4220 1.6867 1.6867 2.0200 2.0200 2.8686 2.8686 3.1441 3.1441 3.6725 3.6725 3.9156 3.9156 4.3770 4.3770 4.4005 4.4005 5.1838 5.1838 5.4681 5.4681 6.2067 6.2067 6.3298 6.3298 6.6583 6.6583 6.8844 6.8844 14.3371 14.3371 15.1066 15.1066 16.9052 16.9052 17.1258 17.1258 17.5385 17.5385 k = 0.5631 0.0998-0.5510 ( 2908 PWs) bands (ev): -11.9592 -11.9592 -11.4865 -11.4865 -11.2303 -11.2303 -10.7693 -10.7693 -10.5855 -10.5855 -10.1682 -10.1682 -0.1981 -0.1981 1.0467 1.0467 1.4078 1.4078 1.4646 1.4646 1.6944 1.6944 2.0373 2.0373 2.8706 2.8706 3.1914 3.1914 3.6633 3.6633 3.9175 3.9175 4.3715 4.3715 4.3848 4.3848 5.1327 5.1327 5.4823 5.4823 6.2056 6.2056 6.3337 6.3337 6.6400 6.6400 6.8720 6.8720 14.3166 14.3166 15.1462 15.1462 16.9296 16.9296 17.1203 17.1203 17.5240 17.5240 k = 0.5561 0.1148-0.5510 ( 2916 PWs) bands (ev): -11.9678 -11.9678 -11.4819 -11.4819 -11.2378 -11.2378 -10.7549 -10.7549 -10.5897 -10.5897 -10.1634 -10.1634 -0.2367 -0.2367 1.0212 1.0212 1.4248 1.4248 1.5041 1.5041 1.7020 1.7020 2.0535 2.0535 2.8689 2.8689 3.2366 3.2366 3.6568 3.6568 3.9187 3.9187 4.3656 4.3656 4.3749 4.3749 5.0809 5.0809 5.4949 5.4949 6.2047 6.2047 6.3380 6.3380 6.6222 6.6222 6.8605 6.8605 14.2976 14.2976 15.1830 15.1830 16.9534 16.9534 17.1151 17.1151 17.5092 17.5092 k = 0.5491 0.1298-0.5510 ( 2920 PWs) bands (ev): -11.9754 -11.9754 -11.4784 -11.4784 -11.2445 -11.2445 -10.7412 -10.7412 -10.5935 -10.5935 -10.1593 -10.1593 -0.2709 -0.2709 0.9976 0.9976 1.4405 1.4405 1.5396 1.5396 1.7100 1.7100 2.0685 2.0685 2.8643 2.8643 3.2791 3.2791 3.6518 3.6518 3.9196 3.9196 4.3611 4.3611 4.3697 4.3697 5.0289 5.0289 5.5059 5.5059 6.2039 6.2039 6.3427 6.3427 6.6051 6.6051 6.8500 6.8500 14.2806 14.2806 15.2166 15.2166 16.9762 16.9762 17.1102 17.1102 17.4944 17.4944 k = 0.5421 0.1447-0.5510 ( 2918 PWs) bands (ev): -11.9820 -11.9820 -11.4757 -11.4757 -11.2504 -11.2504 -10.7286 -10.7286 -10.5967 -10.5967 -10.1561 -10.1561 -0.3008 -0.3008 0.9766 0.9766 1.4546 1.4546 1.5704 1.5704 1.7188 1.7188 2.0819 2.0819 2.8576 2.8576 3.3186 3.3186 3.6469 3.6469 3.9202 3.9202 4.3594 4.3594 4.3682 4.3682 4.9774 4.9774 5.5153 5.5153 6.2032 6.2032 6.3476 6.3476 6.5890 6.5890 6.8408 6.8408 14.2655 14.2655 15.2467 15.2467 16.9975 16.9975 17.1058 17.1058 17.4801 17.4801 k = 0.5351 0.1597-0.5510 ( 2918 PWs) bands (ev): -11.9876 -11.9876 -11.4737 -11.4737 -11.2553 -11.2553 -10.7172 -10.7172 -10.5995 -10.5995 -10.1535 -10.1535 -0.3263 -0.3263 0.9584 0.9584 1.4670 1.4670 1.5954 1.5954 1.7287 1.7287 2.0935 2.0935 2.8497 2.8497 3.3552 3.3552 3.6409 3.6409 3.9205 3.9205 4.3580 4.3580 4.3731 4.3731 4.9273 4.9273 5.5233 5.5233 6.2027 6.2027 6.3527 6.3527 6.5743 6.5743 6.8328 6.8328 14.2526 14.2526 15.2729 15.2729 17.0170 17.0170 17.1018 17.1018 17.4669 17.4669 k = 0.5281 0.1746-0.5510 ( 2912 PWs) bands (ev): -11.9922 -11.9922 -11.4723 -11.4723 -11.2594 -11.2594 -10.7075 -10.7075 -10.6018 -10.6018 -10.1515 -10.1515 -0.3472 -0.3472 0.9432 0.9432 1.4773 1.4773 1.6146 1.6146 1.7393 1.7393 2.1032 2.1032 2.8415 2.8415 3.3886 3.3886 3.6330 3.6330 3.9207 3.9207 4.3561 4.3561 4.3844 4.3844 4.8799 4.8799 5.5297 5.5297 6.2023 6.2023 6.3576 6.3576 6.5612 6.5612 6.8261 6.8261 14.2419 14.2419 15.2948 15.2948 17.0340 17.0340 17.0984 17.0984 17.4550 17.4550 k = 0.5210 0.1896-0.5510 ( 2910 PWs) bands (ev): -11.9958 -11.9958 -11.4712 -11.4712 -11.2626 -11.2626 -10.6997 -10.6997 -10.6036 -10.6036 -10.1501 -10.1501 -0.3636 -0.3636 0.9313 0.9313 1.4854 1.4854 1.6280 1.6280 1.7497 1.7497 2.1109 2.1109 2.8340 2.8340 3.4185 3.4185 3.6231 3.6231 3.9208 3.9208 4.3544 4.3544 4.3998 4.3998 4.8372 4.8372 5.5346 5.5346 6.2019 6.2019 6.3621 6.3621 6.5503 6.5503 6.8209 6.8209 14.2335 14.2335 15.3122 15.3122 17.0480 17.0480 17.0956 17.0956 17.4451 17.4451 k = 0.5140 0.2046-0.5510 ( 2914 PWs) bands (ev): -11.9983 -11.9983 -11.4706 -11.4706 -11.2648 -11.2648 -10.6940 -10.6940 -10.6049 -10.6049 -10.1491 -10.1491 -0.3753 -0.3753 0.9227 0.9227 1.4913 1.4913 1.6367 1.6367 1.7586 1.7586 2.1164 2.1164 2.8278 2.8278 3.4434 3.4434 3.6122 3.6122 3.9208 3.9208 4.3530 4.3530 4.4159 4.4159 4.8018 4.8018 5.5382 5.5382 6.2017 6.2017 6.3657 6.3657 6.5420 6.5420 6.8171 6.8171 14.2274 14.2274 15.3247 15.3247 17.0586 17.0586 17.0935 17.0935 17.4375 17.4375 k = 0.5070 0.2195-0.5510 ( 2906 PWs) bands (ev): -11.9999 -11.9999 -11.4702 -11.4702 -11.2662 -11.2662 -10.6904 -10.6904 -10.6056 -10.6056 -10.1485 -10.1485 -0.3823 -0.3823 0.9175 0.9175 1.4949 1.4949 1.6415 1.6415 1.7646 1.7646 2.1198 2.1198 2.8238 2.8238 3.4611 3.4611 3.6030 3.6030 3.9208 3.9208 4.3522 4.3522 4.4286 4.4286 4.7779 4.7779 5.5403 5.5403 6.2016 6.2016 6.3681 6.3681 6.5368 6.5368 6.8148 6.8148 14.2237 14.2237 15.3324 15.3324 17.0652 17.0652 17.0922 17.0922 17.4328 17.4328 k = 0.5000 0.2345-0.5510 ( 2898 PWs) bands (ev): -12.0004 -12.0004 -11.4701 -11.4701 -11.2666 -11.2666 -10.6893 -10.6893 -10.6059 -10.6059 -10.1483 -10.1483 -0.3847 -0.3847 0.9158 0.9158 1.4961 1.4961 1.6430 1.6430 1.7667 1.7667 2.1209 2.1209 2.8225 2.8225 3.4677 3.4677 3.5992 3.5992 3.9208 3.9208 4.3519 4.3519 4.4335 4.4335 4.7692 4.7692 5.5410 5.5410 6.2016 6.2016 6.3690 6.3690 6.5350 6.5350 6.8140 6.8140 14.2225 14.2225 15.3350 15.3350 17.0674 17.0674 17.0918 17.0918 17.4312 17.4312 k = 0.5000 0.2345-0.5510 ( 2898 PWs) bands (ev): -12.0004 -12.0004 -11.4701 -11.4701 -11.2666 -11.2666 -10.6893 -10.6893 -10.6059 -10.6059 -10.1483 -10.1483 -0.3847 -0.3847 0.9158 0.9158 1.4961 1.4961 1.6430 1.6430 1.7667 1.7667 2.1209 2.1209 2.8225 2.8225 3.4677 3.4677 3.5992 3.5992 3.9208 3.9208 4.3519 4.3519 4.4335 4.4335 4.7692 4.7692 5.5410 5.5410 6.2016 6.2016 6.3690 6.3690 6.5350 6.5350 6.8140 6.8140 14.2225 14.2225 15.3350 15.3350 17.0674 17.0674 17.0918 17.0918 17.4312 17.4312 k = 0.5100 0.2392-0.5399 ( 2904 PWs) bands (ev): -12.0000 -12.0000 -11.4720 -11.4720 -11.2662 -11.2662 -10.6890 -10.6890 -10.6048 -10.6048 -10.1484 -10.1484 -0.3844 -0.3844 0.9148 0.9148 1.4936 1.4936 1.6471 1.6471 1.7641 1.7641 2.1222 2.1222 2.8223 2.8223 3.4670 3.4670 3.5954 3.5954 3.9251 3.9251 4.3523 4.3523 4.4329 4.4329 4.7704 4.7704 5.5417 5.5417 6.2004 6.2004 6.3689 6.3689 6.5351 6.5351 6.8141 6.8141 14.2219 14.2219 15.3332 15.3332 17.0693 17.0693 17.0923 17.0923 17.4315 17.4315 k = 0.5200 0.2439-0.5288 ( 2906 PWs) bands (ev): -11.9988 -11.9988 -11.4775 -11.4775 -11.2650 -11.2650 -10.6881 -10.6881 -10.6017 -10.6017 -10.1487 -10.1487 -0.3834 -0.3834 0.9118 0.9118 1.4870 1.4870 1.6587 1.6587 1.7566 1.7566 2.1257 2.1257 2.8217 2.8217 3.4651 3.4651 3.5845 3.5845 3.9373 3.9373 4.3533 4.3533 4.4314 4.4314 4.7737 4.7737 5.5439 5.5439 6.1971 6.1971 6.3688 6.3688 6.5352 6.5352 6.8144 6.8144 14.2202 14.2202 15.3281 15.3281 17.0748 17.0748 17.0940 17.0940 17.4323 17.4323 k = 0.5301 0.2486-0.5177 ( 2910 PWs) bands (ev): -11.9968 -11.9968 -11.4867 -11.4867 -11.2630 -11.2630 -10.6867 -10.6867 -10.5965 -10.5965 -10.1492 -10.1492 -0.3818 -0.3818 0.9068 0.9068 1.4779 1.4779 1.6759 1.6759 1.7444 1.7444 2.1313 2.1313 2.8206 2.8206 3.4619 3.4619 3.5681 3.5681 3.9562 3.9562 4.3548 4.3548 4.4290 4.4290 4.7792 4.7792 5.5475 5.5475 6.1916 6.1916 6.3687 6.3687 6.5354 6.5354 6.8147 6.8147 14.2174 14.2174 15.3195 15.3195 17.0834 17.0834 17.0973 17.0973 17.4335 17.4335 k = 0.5401 0.2533-0.5066 ( 2908 PWs) bands (ev): -11.9940 -11.9940 -11.4993 -11.4993 -11.2602 -11.2602 -10.6847 -10.6847 -10.5895 -10.5895 -10.1499 -10.1499 -0.3795 -0.3795 0.9000 0.9000 1.4679 1.4679 1.6971 1.6971 1.7281 1.7281 2.1383 2.1383 2.8192 2.8192 3.4573 3.4573 3.5477 3.5477 3.9801 3.9801 4.3565 4.3565 4.4262 4.4262 4.7868 4.7868 5.5526 5.5526 6.1839 6.1839 6.3685 6.3685 6.5357 6.5357 6.8151 6.8151 14.2137 14.2137 15.3077 15.3077 17.0933 17.0933 17.1044 17.1044 17.4349 17.4349 k = 0.5501 0.2580-0.4955 ( 2910 PWs) bands (ev): -11.9904 -11.9904 -11.5151 -11.5151 -11.2566 -11.2566 -10.6822 -10.6822 -10.5809 -10.5809 -10.1508 -10.1508 -0.3767 -0.3767 0.8913 0.8913 1.4581 1.4581 1.7082 1.7082 1.7213 1.7213 2.1463 2.1463 2.8173 2.8173 3.4512 3.4512 3.5250 3.5250 4.0078 4.0078 4.3579 4.3579 4.4235 4.4235 4.7963 4.7963 5.5593 5.5593 6.1743 6.1743 6.3683 6.3683 6.5361 6.5361 6.8156 6.8156 14.2090 14.2090 15.2925 15.2925 17.1010 17.1010 17.1187 17.1187 17.4359 17.4359 k = 0.5601 0.2627-0.4844 ( 2914 PWs) bands (ev): -11.9860 -11.9860 -11.5339 -11.5339 -11.2523 -11.2523 -10.6791 -10.6791 -10.5709 -10.5709 -10.1518 -10.1518 -0.3732 -0.3732 0.8808 0.8808 1.4492 1.4492 1.6851 1.6851 1.7475 1.7475 2.1548 2.1548 2.8149 2.8149 3.4435 3.4435 3.5010 3.5010 4.0383 4.0383 4.3582 4.3582 4.4219 4.4219 4.8077 4.8077 5.5674 5.5674 6.1629 6.1629 6.3681 6.3681 6.5365 6.5365 6.8159 6.8159 14.2036 14.2036 15.2741 15.2741 17.1083 17.1083 17.1387 17.1387 17.4361 17.4361 k = 0.5701 0.2674-0.4733 ( 2909 PWs) bands (ev): -11.9809 -11.9809 -11.5553 -11.5553 -11.2471 -11.2471 -10.6754 -10.6754 -10.5597 -10.5597 -10.1530 -10.1530 -0.3691 -0.3691 0.8686 0.8686 1.4415 1.4415 1.6594 1.6594 1.7752 1.7752 2.1632 2.1632 2.8120 2.8120 3.4340 3.4340 3.4768 3.4768 4.0708 4.0708 4.3566 4.3566 4.4223 4.4223 4.8206 4.8206 5.5770 5.5770 6.1496 6.1496 6.3679 6.3679 6.5369 6.5369 6.8162 6.8162 14.1976 14.1976 15.2527 15.2527 17.1168 17.1168 17.1627 17.1627 17.4348 17.4348 k = 0.5802 0.2721-0.4622 ( 2911 PWs) bands (ev): -11.9750 -11.9750 -11.5792 -11.5792 -11.2412 -11.2412 -10.6712 -10.6712 -10.5477 -10.5477 -10.1544 -10.1544 -0.3643 -0.3643 0.8548 0.8548 1.4352 1.4352 1.6314 1.6314 1.8040 1.8040 2.1712 2.1712 2.8086 2.8086 3.4225 3.4225 3.4531 3.4531 4.1051 4.1051 4.3527 4.3527 4.4254 4.4254 4.8349 4.8349 5.5882 5.5882 6.1347 6.1347 6.3677 6.3677 6.5372 6.5372 6.8164 6.8164 14.1911 14.1911 15.2283 15.2283 17.1271 17.1271 17.1903 17.1903 17.4314 17.4314 k = 0.5902 0.2768-0.4511 ( 2912 PWs) bands (ev): -11.9683 -11.9683 -11.6052 -11.6052 -11.2345 -11.2345 -10.6665 -10.6665 -10.5349 -10.5349 -10.1560 -10.1560 -0.3590 -0.3590 0.8394 0.8394 1.4306 1.4306 1.6014 1.6014 1.8336 1.8336 2.1785 2.1785 2.8045 2.8045 3.4089 3.4089 3.4306 3.4306 4.1407 4.1407 4.3466 4.3466 4.4312 4.4312 4.8504 4.8504 5.6009 5.6009 6.1182 6.1182 6.3676 6.3676 6.5372 6.5372 6.8166 6.8166 14.1845 14.1845 15.2010 15.2010 17.1395 17.1395 17.2213 17.2213 17.4249 17.4249 k = 0.6002 0.2815-0.4400 ( 2913 PWs) bands (ev): -11.9609 -11.9609 -11.6331 -11.6331 -11.2271 -11.2271 -10.6612 -10.6612 -10.5217 -10.5217 -10.1577 -10.1577 -0.3531 -0.3531 0.8227 0.8227 1.4276 1.4276 1.5697 1.5697 1.8636 1.8636 2.1847 2.1847 2.7997 2.7997 3.3931 3.3931 3.4099 3.4099 4.1775 4.1775 4.3389 4.3389 4.4394 4.4394 4.8669 4.8669 5.6152 5.6152 6.1002 6.1002 6.3675 6.3675 6.5368 6.5368 6.8169 6.8169 14.1780 14.1780 15.1711 15.1711 17.1542 17.1542 17.2555 17.2555 17.4146 17.4146 k = 0.6102 0.2862-0.4289 ( 2907 PWs) bands (ev): -11.9528 -11.9528 -11.6628 -11.6628 -11.2189 -11.2189 -10.6554 -10.6554 -10.5083 -10.5083 -10.1596 -10.1596 -0.3466 -0.3466 0.8048 0.8048 1.4263 1.4263 1.5365 1.5365 1.8938 1.8938 2.1895 2.1895 2.7942 2.7942 3.3751 3.3751 3.3912 3.3912 4.2152 4.2152 4.3303 4.3303 4.4494 4.4494 4.8843 4.8843 5.6310 5.6310 6.0807 6.0807 6.3675 6.3675 6.5358 6.5358 6.8174 6.8174 14.1717 14.1717 15.1385 15.1385 17.1715 17.1715 17.2926 17.2926 17.3998 17.3998 k = 0.6203 0.2909-0.4178 ( 2908 PWs) bands (ev): -11.9439 -11.9439 -11.6938 -11.6938 -11.2100 -11.2100 -10.6492 -10.6492 -10.4947 -10.4947 -10.1616 -10.1616 -0.3395 -0.3395 0.7857 0.7857 1.4266 1.4266 1.5021 1.5021 1.9239 1.9239 2.1928 2.1928 2.7877 2.7877 3.3551 3.3551 3.3751 3.3751 4.2538 4.2538 4.3215 4.3215 4.4611 4.4611 4.9024 4.9024 5.6484 5.6484 6.0597 6.0597 6.3676 6.3676 6.5338 6.5338 6.8185 6.8185 14.1659 14.1659 15.1036 15.1036 17.1913 17.1913 17.3326 17.3326 17.3797 17.3797 k = 0.6303 0.2956-0.4067 ( 2909 PWs) bands (ev): -11.9344 -11.9344 -11.7262 -11.7262 -11.2004 -11.2004 -10.6424 -10.6424 -10.4813 -10.4813 -10.1638 -10.1638 -0.3319 -0.3319 0.7655 0.7655 1.4284 1.4284 1.4665 1.4665 1.9536 1.9536 2.1943 2.1943 2.7803 2.7803 3.3326 3.3326 3.3623 3.3623 4.2929 4.2929 4.3132 4.3132 4.4740 4.4740 4.9210 4.9210 5.6673 5.6673 6.0372 6.0372 6.3679 6.3679 6.5305 6.5305 6.8203 6.8203 14.1608 14.1608 15.0664 15.0664 17.2138 17.2138 17.3538 17.3538 17.3753 17.3753 k = 0.6403 0.3003-0.3957 ( 2909 PWs) bands (ev): -11.9242 -11.9242 -11.7596 -11.7596 -11.1901 -11.1901 -10.6351 -10.6351 -10.4680 -10.4680 -10.1660 -10.1660 -0.3237 -0.3237 0.7445 0.7445 1.4293 1.4293 1.4323 1.4323 1.9827 1.9827 2.1937 2.1937 2.7720 2.7720 3.3076 3.3076 3.3533 3.3533 4.3047 4.3047 4.3334 4.3334 4.4880 4.4880 4.9400 4.9400 5.6876 5.6876 6.0133 6.0133 6.3684 6.3684 6.5255 6.5255 6.8233 6.8233 14.1568 14.1568 15.0272 15.0272 17.2390 17.2390 17.3222 17.3222 17.4204 17.4204 k = 0.6403 0.3003-0.3957 ( 2909 PWs) bands (ev): -11.9242 -11.9242 -11.7596 -11.7596 -11.1901 -11.1901 -10.6351 -10.6351 -10.4680 -10.4680 -10.1660 -10.1660 -0.3237 -0.3237 0.7445 0.7445 1.4293 1.4293 1.4323 1.4323 1.9827 1.9827 2.1937 2.1937 2.7720 2.7720 3.3076 3.3076 3.3533 3.3533 4.3047 4.3047 4.3334 4.3334 4.4880 4.4880 4.9400 4.9400 5.6876 5.6876 6.0133 6.0133 6.3684 6.3684 6.5255 6.5255 6.8233 6.8233 14.1568 14.1568 15.0272 15.0272 17.2390 17.2390 17.3222 17.3222 17.4204 17.4204 k = 0.6363 0.2984-0.3799 ( 2909 PWs) bands (ev): -11.9248 -11.9248 -11.7886 -11.7886 -11.1776 -11.1776 -10.6300 -10.6300 -10.4509 -10.4509 -10.1635 -10.1635 -0.3145 -0.3145 0.7374 0.7374 1.3769 1.3769 1.4092 1.4092 2.0141 2.0141 2.2218 2.2218 2.7667 2.7667 3.2810 3.2811 3.3835 3.3835 4.3111 4.3111 4.3189 4.3189 4.5097 4.5097 4.9616 4.9616 5.7017 5.7017 5.9849 5.9849 6.3465 6.3465 6.5268 6.5268 6.8110 6.8110 14.1612 14.1612 14.9949 14.9949 17.2658 17.2658 17.3094 17.3094 17.4684 17.4684 k = 0.6323 0.2965-0.3642 ( 2907 PWs) bands (ev): -11.9299 -11.9299 -11.8177 -11.8177 -11.1601 -11.1601 -10.6242 -10.6242 -10.4338 -10.4338 -10.1608 -10.1608 -0.3044 -0.3044 0.7270 0.7270 1.3284 1.3284 1.3848 1.3848 2.0399 2.0399 2.2459 2.2459 2.7612 2.7612 3.2523 3.2523 3.4188 3.4188 4.3045 4.3045 4.3240 4.3240 4.5332 4.5332 4.9841 4.9841 5.7146 5.7146 5.9537 5.9537 6.3254 6.3254 6.5280 6.5280 6.7984 6.7984 14.1647 14.1647 14.9598 14.9598 17.2781 17.2781 17.2974 17.2974 17.5298 17.5298 k = 0.6283 0.2946-0.3484 ( 2904 PWs) bands (ev): -11.9388 -11.9388 -11.8467 -11.8467 -11.1382 -11.1382 -10.6178 -10.6178 -10.4166 -10.4166 -10.1580 -10.1580 -0.2933 -0.2933 0.7128 0.7128 1.2854 1.2854 1.3591 1.3591 2.0594 2.0594 2.2652 2.2652 2.7560 2.7560 3.2220 3.2220 3.4585 3.4585 4.2943 4.2943 4.3395 4.3395 4.5579 4.5579 5.0070 5.0070 5.7261 5.7261 5.9198 5.9198 6.3058 6.3058 6.5294 6.5294 6.7858 6.7858 14.1672 14.1672 14.9222 14.9222 17.2809 17.2809 17.2856 17.2856 17.5990 17.5990 k = 0.6243 0.2927-0.3327 ( 2896 PWs) bands (ev): -11.9511 -11.9511 -11.8757 -11.8757 -11.1125 -11.1125 -10.6107 -10.6107 -10.3996 -10.3996 -10.1550 -10.1550 -0.2813 -0.2813 0.6942 0.6942 1.2490 1.2490 1.3329 1.3329 2.0721 2.0721 2.2792 2.2792 2.7516 2.7516 3.1907 3.1907 3.5017 3.5017 4.2867 4.2867 4.3595 4.3595 4.5832 4.5832 5.0298 5.0298 5.7361 5.7361 5.8831 5.8831 6.2886 6.2886 6.5308 6.5308 6.7735 6.7735 14.1686 14.1686 14.8823 14.8823 17.2731 17.2731 17.2780 17.2780 17.6727 17.6727 k = 0.6203 0.2909-0.3169 ( 2894 PWs) bands (ev): -11.9662 -11.9662 -11.9043 -11.9043 -11.0837 -11.0837 -10.6029 -10.6029 -10.3828 -10.3828 -10.1519 -10.1519 -0.2684 -0.2684 0.6708 0.6708 1.2196 1.2196 1.3065 1.3065 2.0776 2.0776 2.2874 2.2874 2.7484 2.7484 3.1590 3.1590 3.5480 3.5480 4.2819 4.2819 4.3838 4.3838 4.6086 4.6086 5.0518 5.0518 5.7447 5.7447 5.8438 5.8438 6.2744 6.2744 6.5324 6.5324 6.7617 6.7617 14.1689 14.1689 14.8403 14.8403 17.2599 17.2599 17.2704 17.2704 17.7491 17.7491 k = 0.6162 0.2890-0.3012 ( 2894 PWs) bands (ev): -11.9833 -11.9833 -11.9327 -11.9327 -11.0524 -11.0524 -10.5946 -10.5946 -10.3662 -10.3662 -10.1488 -10.1488 -0.2549 -0.2549 0.6428 0.6428 1.1974 1.1974 1.2806 1.2806 2.0760 2.0760 2.2898 2.2898 2.7466 2.7466 3.1273 3.1273 3.5967 3.5967 4.2800 4.2800 4.4120 4.4120 4.6338 4.6338 5.0719 5.0719 5.7522 5.7522 5.8020 5.8020 6.2640 6.2640 6.5340 6.5340 6.7506 6.7506 14.1681 14.1681 14.7966 14.7966 17.2453 17.2453 17.2593 17.2593 17.8273 17.8273 k = 0.6122 0.2871-0.2855 ( 2892 PWs) bands (ev): -12.0022 -12.0022 -11.9607 -11.9607 -11.0191 -11.0191 -10.5856 -10.5856 -10.3501 -10.3501 -10.1457 -10.1457 -0.2407 -0.2407 0.6106 0.6106 1.1820 1.1820 1.2556 1.2556 2.0674 2.0674 2.2861 2.2861 2.7461 2.7461 3.0960 3.0960 3.6473 3.6473 4.2810 4.2810 4.4438 4.4438 4.6584 4.6584 5.0891 5.0891 5.7564 5.7564 5.7611 5.7611 6.2577 6.2577 6.5356 6.5356 6.7405 6.7405 14.1661 14.1661 14.7515 14.7515 17.2291 17.2291 17.2449 17.2449 17.9069 17.9069 k = 0.6082 0.2852-0.2697 ( 2889 PWs) bands (ev): -12.0222 -12.0222 -11.9883 -11.9883 -10.9842 -10.9842 -10.5761 -10.5761 -10.3344 -10.3344 -10.1426 -10.1426 -0.2260 -0.2260 0.5751 0.5751 1.1729 1.1729 1.2319 1.2319 2.0523 2.0523 2.2767 2.2767 2.7466 2.7466 3.0654 3.0654 3.6995 3.6995 4.2851 4.2851 4.4788 4.4788 4.6819 4.6819 5.1022 5.1022 5.7119 5.7119 5.7677 5.7677 6.2558 6.2558 6.5372 6.5372 6.7315 6.7315 14.1629 14.1629 14.7053 14.7053 17.2110 17.2110 17.2277 17.2277 17.9876 17.9876 k = 0.6042 0.2833-0.2540 ( 2899 PWs) bands (ev): -12.0431 -12.0431 -12.0153 -12.0153 -10.9483 -10.9483 -10.5660 -10.5660 -10.3191 -10.3191 -10.1395 -10.1395 -0.2109 -0.2109 0.5373 0.5373 1.1690 1.1690 1.2098 1.2098 2.0316 2.0316 2.2616 2.2616 2.7475 2.7475 3.0358 3.0358 3.7529 3.7529 4.2920 4.2920 4.5163 4.5163 4.7041 4.7041 5.1100 5.1100 5.6645 5.6645 5.7779 5.7779 6.2582 6.2582 6.5387 6.5387 6.7237 6.7237 14.1586 14.1586 14.6582 14.6582 17.1911 17.1911 17.2077 17.2077 18.0691 18.0691 k = 0.6002 0.2815-0.2382 ( 2903 PWs) bands (ev): -12.0644 -12.0644 -12.0417 -12.0417 -10.9116 -10.9116 -10.5554 -10.5554 -10.3045 -10.3045 -10.1366 -10.1366 -0.1955 -0.1955 0.4980 0.4980 1.1697 1.1697 1.1897 1.1897 2.0059 2.0059 2.2413 2.2413 2.7485 2.7485 3.0071 3.0071 3.8072 3.8072 4.3016 4.3016 4.5557 4.5557 4.7246 4.7246 5.1114 5.1114 5.6160 5.6160 5.7917 5.7917 6.2645 6.2645 6.5403 6.5403 6.7173 6.7173 14.1530 14.1530 14.6105 14.6105 17.1692 17.1692 17.1853 17.1853 18.1515 18.1515 k = 0.5962 0.2796-0.2225 ( 2907 PWs) bands (ev): -12.0861 -12.0861 -12.0675 -12.0675 -10.8745 -10.8745 -10.5443 -10.5443 -10.2904 -10.2904 -10.1339 -10.1339 -0.1800 -0.1800 0.4582 0.4582 1.1718 1.1718 1.1741 1.1741 1.9761 1.9761 2.2163 2.2163 2.7490 2.7490 2.9794 2.9794 3.8622 3.8622 4.3139 4.3139 4.5963 4.5963 4.7431 4.7431 5.1057 5.1057 5.5670 5.5670 5.8102 5.8102 6.2743 6.2743 6.5418 6.5418 6.7123 6.7123 14.1463 14.1463 14.5627 14.5627 17.1454 17.1454 17.1606 17.1606 18.2345 18.2345 k = 0.5922 0.2777-0.2067 ( 2908 PWs) bands (ev): -12.1077 -12.1077 -12.0925 -12.0925 -10.8372 -10.8372 -10.5327 -10.5327 -10.2770 -10.2770 -10.1314 -10.1314 -0.1644 -0.1644 0.4184 0.4184 1.1564 1.1564 1.1814 1.1814 1.9430 1.9430 2.1871 2.1871 2.7486 2.7486 2.9528 2.9528 3.9176 3.9176 4.3285 4.3285 4.6370 4.6370 4.7596 4.7596 5.0929 5.0929 5.5182 5.5182 5.8341 5.8341 6.2869 6.2869 6.5435 6.5435 6.7087 6.7087 14.1384 14.1384 14.5149 14.5149 17.1198 17.1198 17.1339 17.1339 18.3180 18.3180 k = 0.5882 0.2758-0.1910 ( 2908 PWs) bands (ev): -12.1292 -12.1292 -12.1169 -12.1169 -10.8000 -10.8000 -10.5206 -10.5206 -10.2642 -10.2642 -10.1291 -10.1291 -0.1489 -0.1489 0.3794 0.3794 1.1436 1.1436 1.1912 1.1912 1.9072 1.9072 2.1542 2.1542 2.7471 2.7471 2.9270 2.9270 3.9734 3.9734 4.3452 4.3452 4.6765 4.6765 4.7743 4.7743 5.0734 5.0734 5.4703 5.4703 5.8636 5.8636 6.3019 6.3019 6.5454 6.5454 6.7063 6.7063 14.1294 14.1294 14.4674 14.4674 17.0925 17.0925 17.1053 17.1053 18.4019 18.4019 k = 0.5842 0.2739-0.1753 ( 2908 PWs) bands (ev): -12.1504 -12.1504 -12.1404 -12.1404 -10.7630 -10.7630 -10.5082 -10.5082 -10.2522 -10.2522 -10.1272 -10.1272 -0.1335 -0.1335 0.3416 0.3416 1.1335 1.1335 1.2030 1.2030 1.8695 1.8695 2.1182 2.1182 2.7443 2.7443 2.9020 2.9020 4.0292 4.0292 4.3637 4.3637 4.7122 4.7122 4.7887 4.7887 5.0479 5.0479 5.4239 5.4239 5.8982 5.8982 6.3188 6.3188 6.5477 6.5477 6.7052 6.7052 14.1193 14.1193 14.4205 14.4205 17.0637 17.0637 17.0752 17.0752 18.4862 18.4862 k = 0.5802 0.2721-0.1595 ( 2905 PWs) bands (ev): -12.1712 -12.1712 -12.1631 -12.1631 -10.7264 -10.7264 -10.4954 -10.4954 -10.2409 -10.2409 -10.1257 -10.1257 -0.1186 -0.1186 0.3052 0.3052 1.1264 1.1264 1.2163 1.2163 1.8305 1.8305 2.0798 2.0798 2.7401 2.7401 2.8777 2.8777 4.0849 4.0849 4.3837 4.3837 4.7385 4.7385 4.8070 4.8070 5.0177 5.0177 5.3801 5.3801 5.9373 5.9373 6.3371 6.3371 6.5505 6.5505 6.7051 6.7051 14.1081 14.1081 14.3744 14.3744 17.0336 17.0336 17.0438 17.0438 18.5706 18.5706 k = 0.5762 0.2702-0.1438 ( 2905 PWs) bands (ev): -12.1914 -12.1914 -12.1848 -12.1848 -10.6903 -10.6903 -10.4822 -10.4822 -10.2304 -10.2304 -10.1246 -10.1246 -0.1040 -0.1040 0.2707 0.2707 1.1222 1.1222 1.2308 1.2308 1.7907 1.7907 2.0394 2.0394 2.7346 2.7346 2.8541 2.8541 4.1403 4.1403 4.4049 4.4049 4.7505 4.7505 4.8331 4.8331 4.9839 4.9839 5.3395 5.3395 5.9800 5.9800 6.3564 6.3564 6.5542 6.5542 6.7058 6.7058 14.0960 14.0960 14.3294 14.3294 17.0025 17.0025 17.0114 17.0114 18.6550 18.6550 k = 0.5722 0.2683-0.1280 ( 2909 PWs) bands (ev): -12.2110 -12.2110 -12.2057 -12.2057 -10.6550 -10.6550 -10.4688 -10.4688 -10.2207 -10.2207 -10.1240 -10.1240 -0.0901 -0.0901 0.2382 0.2382 1.1209 1.1209 1.2462 1.2462 1.7505 1.7505 1.9975 1.9975 2.7277 2.7277 2.8310 2.8310 4.1952 4.1952 4.4268 4.4268 4.7498 4.7498 4.8644 4.8644 4.9476 4.9476 5.3028 5.3028 6.0255 6.0255 6.3764 6.3764 6.5589 6.5589 6.7071 6.7071 14.0831 14.0831 14.2857 14.2857 16.9705 16.9705 16.9783 16.9783 18.7394 18.7394 k = 0.5681 0.2664-0.1123 ( 2909 PWs) bands (ev): -12.2299 -12.2299 -12.2256 -12.2256 -10.6204 -10.6204 -10.4551 -10.4551 -10.2119 -10.2119 -10.1239 -10.1239 -0.0768 -0.0768 0.2078 0.2078 1.1226 1.1226 1.2623 1.2623 1.7105 1.7105 1.9546 1.9546 2.7197 2.7197 2.8084 2.8084 4.2495 4.2495 4.4492 4.4492 4.7401 4.7401 4.8963 4.8963 4.9103 4.9103 5.2707 5.2707 6.0731 6.0731 6.3968 6.3968 6.5646 6.5646 6.7089 6.7089 14.0694 14.0694 14.2434 14.2434 16.9380 16.9380 16.9446 16.9446 18.8235 18.8235 k = 0.5641 0.2645-0.0966 ( 2910 PWs) bands (ev): -12.2479 -12.2479 -12.2446 -12.2446 -10.5868 -10.5868 -10.4411 -10.4411 -10.2039 -10.2039 -10.1244 -10.1244 -0.0642 -0.0642 0.1798 0.1798 1.1272 1.1272 1.2787 1.2787 1.6711 1.6711 1.9111 1.9111 2.7106 2.7106 2.7862 2.7862 4.3028 4.3028 4.4715 4.4715 4.7235 4.7235 4.8727 4.8727 4.9271 4.9271 5.2430 5.2430 6.1218 6.1218 6.4175 6.4175 6.5716 6.5716 6.7110 6.7110 14.0550 14.0550 14.2028 14.2028 16.9053 16.9053 16.9109 16.9109 18.9072 18.9072 k = 0.5601 0.2627-0.0808 ( 2911 PWs) bands (ev): -12.2652 -12.2652 -12.2625 -12.2625 -10.5542 -10.5542 -10.4270 -10.4270 -10.1969 -10.1969 -10.1255 -10.1255 -0.0525 -0.0525 0.1540 0.1540 1.1345 1.1345 1.2953 1.2953 1.6327 1.6327 1.8674 1.8674 2.7006 2.7006 2.7646 2.7646 4.3548 4.3548 4.4931 4.4931 4.7013 4.7013 4.8367 4.8367 4.9552 4.9552 5.2196 5.2196 6.1712 6.1712 6.4381 6.4381 6.5798 6.5798 6.7131 6.7131 14.0401 14.0401 14.1640 14.1640 16.8726 16.8726 16.8772 16.8772 18.9905 18.9905 k = 0.5561 0.2608-0.0651 ( 2913 PWs) bands (ev): -12.2815 -12.2815 -12.2794 -12.2794 -10.5227 -10.5227 -10.4127 -10.4127 -10.1908 -10.1908 -10.1272 -10.1272 -0.0416 -0.0416 0.1307 0.1307 1.1443 1.1443 1.3116 1.3116 1.5957 1.5957 1.8238 1.8238 2.6898 2.6898 2.7434 2.7434 4.4047 4.4047 4.5134 4.5134 4.6747 4.6747 4.8037 4.8037 4.9801 4.9801 5.1999 5.1999 6.2205 6.2205 6.4585 6.4585 6.5891 6.5891 6.7151 6.7151 14.0248 14.0248 14.1272 14.1272 16.8402 16.8402 16.8441 16.8441 19.0731 19.0731 k = 0.5521 0.2589-0.0493 ( 2913 PWs) bands (ev): -12.2968 -12.2968 -12.2952 -12.2952 -10.4923 -10.4923 -10.3983 -10.3983 -10.1857 -10.1857 -10.1295 -10.1295 -0.0317 -0.0317 0.1097 0.1097 1.1566 1.1566 1.3276 1.3276 1.5604 1.5604 1.7807 1.7807 2.6784 2.6784 2.7229 2.7229 4.4508 4.4508 4.5320 4.5320 4.6450 4.6450 4.7761 4.7761 5.0015 5.0015 5.1830 5.1830 6.2691 6.2691 6.4786 6.4786 6.5995 6.5995 6.7169 6.7169 14.0094 14.0094 14.0925 14.0925 16.8085 16.8085 16.8116 16.8116 19.1548 19.1548 k = 0.5481 0.2570-0.0336 ( 2909 PWs) bands (ev): -12.3112 -12.3112 -12.3100 -12.3100 -10.4632 -10.4632 -10.3839 -10.3839 -10.1815 -10.1815 -10.1325 -10.1325 -0.0228 -0.0228 0.0912 0.0912 1.1710 1.1710 1.3429 1.3429 1.5273 1.5273 1.7384 1.7384 2.6667 2.6667 2.7029 2.7029 4.4878 4.4878 4.5519 4.5519 4.6134 4.6134 4.7565 4.7565 5.0192 5.0192 5.1680 5.1680 6.3167 6.3167 6.4983 6.4983 6.6108 6.6108 6.7184 6.7184 13.9938 13.9938 14.0602 14.0602 16.7777 16.7777 16.7802 16.7802 19.2355 19.2355 k = 0.5441 0.2551-0.0178 ( 2915 PWs) bands (ev): -12.3245 -12.3245 -12.3236 -12.3236 -10.4354 -10.4354 -10.3695 -10.3695 -10.1785 -10.1785 -10.1363 -10.1363 -0.0149 -0.0149 0.0749 0.0749 1.1873 1.1873 1.3573 1.3573 1.4966 1.4966 1.6971 1.6971 2.6548 2.6548 2.6838 2.6838 4.5052 4.5052 4.5790 4.5790 4.5834 4.5834 4.7474 4.7474 5.0333 5.0333 5.1542 5.1542 6.3626 6.3626 6.5175 6.5175 6.6225 6.6225 6.7194 6.7194 13.9784 13.9784 14.0302 14.0302 16.7481 16.7481 16.7500 16.7500 19.3150 19.3150 k = 0.5401 0.2533-0.0021 ( 2913 PWs) bands (ev): -12.3368 -12.3368 -12.3361 -12.3361 -10.4089 -10.4089 -10.3551 -10.3551 -10.1764 -10.1764 -10.1407 -10.1407 -0.0080 -0.0080 0.0609 0.0609 1.2051 1.2051 1.3705 1.3705 1.4686 1.4686 1.6572 1.6572 2.6428 2.6428 2.6655 2.6655 4.5027 4.5027 4.5487 4.5487 4.6203 4.6203 4.7492 4.7492 5.0436 5.0436 5.1408 5.1408 6.4066 6.4066 6.5361 6.5361 6.6345 6.6345 6.7198 6.7198 13.9633 13.9633 14.0027 14.0027 16.7201 16.7201 16.7215 16.7215 19.3932 19.3932 k = 0.5361 0.2514 0.0136 ( 2925 PWs) bands (ev): -12.3479 -12.3479 -12.3475 -12.3475 -10.3838 -10.3838 -10.3407 -10.3407 -10.1755 -10.1755 -10.1459 -10.1459 -0.0022 -0.0022 0.0491 0.0491 1.2242 1.2242 1.3821 1.3821 1.4438 1.4438 1.6189 1.6189 2.6310 2.6310 2.6482 2.6482 4.4893 4.4893 4.5177 4.5177 4.6617 4.6617 4.7599 4.7599 5.0503 5.0503 5.1273 5.1273 6.4481 6.4481 6.5540 6.5540 6.6464 6.6464 6.7195 6.7195 13.9488 13.9488 13.9777 13.9777 16.6938 16.6938 16.6948 16.6948 19.4697 19.4697 k = 0.5321 0.2495 0.0294 ( 2925 PWs) bands (ev): -12.3580 -12.3580 -12.3577 -12.3577 -10.3601 -10.3601 -10.3265 -10.3265 -10.1758 -10.1758 -10.1517 -10.1517 0.0026 0.0026 0.0393 0.0393 1.2440 1.2440 1.3917 1.3917 1.4226 1.4226 1.5824 1.5824 2.6195 2.6195 2.6321 2.6321 4.4708 4.4708 4.4884 4.4884 4.7029 4.7029 4.7765 4.7765 5.0534 5.0534 5.1132 5.1132 6.4870 6.4870 6.5711 6.5711 6.6576 6.6576 6.7185 6.7185 13.9349 13.9349 13.9554 13.9554 16.6695 16.6695 16.6702 16.6702 19.5444 19.5444 k = 0.5281 0.2476 0.0451 ( 2924 PWs) bands (ev): -12.3669 -12.3669 -12.3667 -12.3667 -10.3378 -10.3378 -10.3125 -10.3125 -10.1772 -10.1772 -10.1583 -10.1583 0.0064 0.0064 0.0314 0.0314 1.2644 1.2644 1.3969 1.3969 1.4073 1.4073 1.5481 1.5481 2.6087 2.6087 2.6175 2.6175 4.4506 4.4506 4.4616 4.4616 4.7428 4.7428 4.7969 4.7969 5.0530 5.0530 5.0983 5.0983 6.5228 6.5228 6.5874 6.5874 6.6679 6.6679 6.7167 6.7167 13.9220 13.9220 13.9358 13.9358 16.6474 16.6474 16.6479 16.6479 19.6171 19.6171 k = 0.5241 0.2458 0.0609 ( 2923 PWs) bands (ev): -12.3747 -12.3747 -12.3745 -12.3745 -10.3170 -10.3170 -10.2987 -10.2987 -10.1798 -10.1798 -10.1656 -10.1656 0.0092 0.0092 0.0253 0.0253 1.2847 1.2847 1.3879 1.3879 1.4076 1.4076 1.5161 1.5161 2.5986 2.5986 2.6044 2.6044 4.4307 4.4307 4.4375 4.4375 4.7810 4.7810 4.8195 4.8195 5.0493 5.0493 5.0824 5.0824 6.5555 6.5555 6.6028 6.6028 6.6767 6.6767 6.7141 6.7141 13.9101 13.9101 13.9189 13.9189 16.6279 16.6279 16.6282 16.6282 19.6874 19.6874 k = 0.5200 0.2439 0.0766 ( 2912 PWs) bands (ev): -12.3813 -12.3813 -12.3812 -12.3812 -10.2976 -10.2976 -10.2851 -10.2851 -10.1837 -10.1837 -10.1736 -10.1736 0.0113 0.0113 0.0207 0.0207 1.3048 1.3048 1.3780 1.3780 1.4104 1.4104 1.4867 1.4867 2.5896 2.5896 2.5930 2.5930 4.4126 4.4126 4.4167 4.4167 4.8172 4.8172 4.8432 4.8432 5.0424 5.0424 5.0653 5.0653 6.5846 6.5846 6.6173 6.6173 6.6838 6.6838 6.7106 6.7106 13.8996 13.8996 13.9048 13.9048 16.6110 16.6110 16.6112 16.6112 19.7550 19.7550 k = 0.5160 0.2420 0.0924 ( 2904 PWs) bands (ev): -12.3867 -12.3867 -12.3867 -12.3867 -10.2797 -10.2797 -10.2719 -10.2719 -10.1888 -10.1888 -10.1822 -10.1822 0.0126 0.0126 0.0174 0.0174 1.3240 1.3240 1.3716 1.3716 1.4110 1.4110 1.4602 1.4602 2.5817 2.5817 2.5835 2.5835 4.3968 4.3968 4.3994 4.3994 4.8512 4.8512 4.8675 4.8675 5.0324 5.0324 5.0471 5.0471 6.6102 6.6102 6.6307 6.6307 6.6886 6.6886 6.7063 6.7063 13.8906 13.8906 13.8933 13.8933 16.5969 16.5969 16.5970 16.5970 19.8194 19.8194 k = 0.5120 0.2401 0.1081 ( 2904 PWs) bands (ev): -12.3909 -12.3909 -12.3909 -12.3909 -10.2633 -10.2633 -10.2590 -10.2590 -10.1953 -10.1953 -10.1915 -10.1915 0.0132 0.0132 0.0153 0.0153 1.3421 1.3421 1.3691 1.3691 1.4090 1.4090 1.4367 1.4367 2.5753 2.5753 2.5761 2.5761 4.3841 4.3841 4.3857 4.3857 4.8829 4.8829 4.8918 4.8918 5.0194 5.0194 5.0277 5.0277 6.6319 6.6319 6.6431 6.6431 6.6911 6.6911 6.7010 6.7010 13.8834 13.8834 13.8845 13.8845 16.5858 16.5858 16.5859 16.5859 19.8802 19.8802 k = 0.5080 0.2382 0.1238 ( 2907 PWs) bands (ev): -12.3939 -12.3939 -12.3939 -12.3939 -10.2484 -10.2484 -10.2465 -10.2465 -10.2031 -10.2031 -10.2014 -10.2014 0.0135 0.0135 0.0141 0.0141 1.3585 1.3585 1.3705 1.3705 1.4044 1.4044 1.4166 1.4166 2.5705 2.5705 2.5708 2.5708 4.3749 4.3749 4.3758 4.3758 4.9121 4.9121 4.9161 4.9161 5.0035 5.0035 5.0073 5.0073 6.6495 6.6495 6.6542 6.6542 6.6908 6.6908 6.6951 6.6951 13.8780 13.8780 13.8783 13.8783 16.5778 16.5778 16.5778 16.5778 19.9364 19.9366 k = 0.5040 0.2364 0.1396 ( 2917 PWs) bands (ev): -12.3958 -12.3958 -12.3958 -12.3958 -10.2349 -10.2349 -10.2345 -10.2345 -10.2123 -10.2123 -10.2119 -10.2119 0.0134 0.0134 0.0135 0.0135 1.3727 1.3727 1.3755 1.3755 1.3974 1.3974 1.4003 1.4003 2.5675 2.5675 2.5676 2.5676 4.3693 4.3693 4.3697 4.3697 4.9388 4.9388 4.9398 4.9398 4.9848 4.9848 4.9858 4.9858 6.6624 6.6624 6.6633 6.6633 6.6884 6.6884 6.6892 6.6892 13.8746 13.8746 13.8747 13.8747 16.5729 16.5729 16.5730 16.5730 19.9865 19.9878 k = 0.5000 0.2345 0.1553 ( 2922 PWs) bands (ev): -12.3964 -12.3964 -12.3964 -12.3964 -10.2232 -10.2232 -10.2232 -10.2232 -10.2226 -10.2226 -10.2226 -10.2226 0.0134 0.0134 0.0134 0.0134 1.3812 1.3812 1.3812 1.3812 1.3911 1.3911 1.3911 1.3911 2.5665 2.5665 2.5665 2.5665 4.3676 4.3676 4.3676 4.3676 4.9601 4.9601 4.9601 4.9601 4.9662 4.9662 4.9662 4.9662 6.6678 6.6678 6.6678 6.6678 6.6861 6.6861 6.6861 6.6861 13.8735 13.8735 13.8735 13.8735 16.5713 16.5713 16.5713 16.5713 20.0221 20.0224 k = 0.5000-0.4159-0.2755 ( 2910 PWs) bands (ev): -11.9727 -11.9727 -11.9727 -11.9727 -10.6752 -10.6752 -10.6752 -10.6752 -10.3939 -10.3939 -10.3939 -10.3939 0.0037 0.0037 0.0037 0.0037 1.6320 1.6320 1.6320 1.6320 1.7437 1.7437 1.7437 1.7437 2.7770 2.7770 2.7770 2.7770 3.7304 3.7304 3.7304 3.7304 4.8052 4.8052 4.8052 4.8052 5.8076 5.8076 5.8076 5.8076 5.9232 5.9232 5.9232 5.9232 7.0309 7.0309 7.0309 7.0309 14.2818 14.2818 14.2818 14.2818 16.9272 16.9272 16.9272 16.9272 18.0169 18.0169 k = 0.5117-0.4061-0.2690 ( 2903 PWs) bands (ev): -11.9724 -11.9724 -11.9723 -11.9723 -10.6955 -10.6955 -10.6559 -10.6559 -10.4072 -10.4072 -10.3807 -10.3807 -0.0226 -0.0226 0.0311 0.0311 1.6177 1.6177 1.6475 1.6475 1.7402 1.7402 1.7477 1.7477 2.7479 2.7479 2.8068 2.8068 3.7039 3.7039 3.7570 3.7570 4.7905 4.7905 4.8195 4.8195 5.7603 5.7603 5.8500 5.8500 5.9126 5.9126 5.9369 5.9369 7.0166 7.0166 7.0427 7.0427 14.2534 14.2534 14.3116 14.3116 16.9271 16.9271 16.9290 16.9290 18.0026 18.0026 k = 0.5234-0.3963-0.2625 ( 2901 PWs) bands (ev): -11.9713 -11.9713 -11.9711 -11.9711 -10.7168 -10.7168 -10.6375 -10.6375 -10.4204 -10.4204 -10.3676 -10.3676 -0.0479 -0.0479 0.0595 0.0595 1.6044 1.6044 1.6642 1.6642 1.7367 1.7367 1.7523 1.7523 2.7198 2.7198 2.8372 2.8372 3.6774 3.6774 3.7836 3.7836 4.7753 4.7753 4.8332 4.8332 5.7099 5.7099 5.8836 5.8836 5.9031 5.9031 5.9573 5.9573 6.9999 6.9999 7.0520 7.0520 14.2267 14.2267 14.3429 14.3429 16.9286 16.9286 16.9324 16.9324 17.9876 17.9876 k = 0.5351-0.3866-0.2561 ( 2899 PWs) bands (ev): -11.9694 -11.9694 -11.9692 -11.9692 -10.7389 -10.7389 -10.6202 -10.6202 -10.4335 -10.4335 -10.3545 -10.3545 -0.0719 -0.0719 0.0889 0.0889 1.5922 1.5922 1.6822 1.6822 1.7333 1.7333 1.7577 1.7577 2.6929 2.6929 2.8677 2.8677 3.6510 3.6510 3.8103 3.8103 4.7597 4.7597 4.8463 4.8463 5.6573 5.6573 5.8939 5.8939 5.9058 5.9058 5.9873 5.9873 6.9808 6.9808 7.0589 7.0589 14.2019 14.2019 14.3752 14.3752 16.9318 16.9318 16.9373 16.9373 17.9719 17.9719 k = 0.5468-0.3768-0.2496 ( 2901 PWs) bands (ev): -11.9666 -11.9666 -11.9666 -11.9666 -10.7619 -10.7619 -10.6038 -10.6038 -10.4465 -10.4465 -10.3417 -10.3417 -0.0948 -0.0948 0.1193 0.1193 1.5807 1.5807 1.7009 1.7009 1.7300 1.7300 1.7642 1.7642 2.6677 2.6677 2.8983 2.8983 3.6246 3.6246 3.8369 3.8369 4.7437 4.7437 4.8588 4.8588 5.6029 5.6029 5.8850 5.8850 5.9193 5.9193 6.0237 6.0237 6.9595 6.9595 7.0633 7.0633 14.1792 14.1792 14.4084 14.4084 16.9367 16.9367 16.9437 16.9437 17.9556 17.9556 k = 0.5585-0.3670-0.2431 ( 2901 PWs) bands (ev): -11.9633 -11.9633 -11.9631 -11.9631 -10.7857 -10.7857 -10.5883 -10.5883 -10.4593 -10.4593 -10.3291 -10.3291 -0.1166 -0.1166 0.1505 0.1505 1.5699 1.5699 1.7164 1.7164 1.7305 1.7305 1.7720 1.7720 2.6444 2.6444 2.9288 2.9288 3.5984 3.5984 3.8636 3.8636 4.7274 4.7274 4.8707 4.8707 5.5469 5.5469 5.8760 5.8760 5.9286 5.9286 6.0621 6.0621 6.9361 6.9361 7.0652 7.0652 14.1586 14.1586 14.4424 14.4424 16.9432 16.9432 16.9515 16.9515 17.9386 17.9386 k = 0.5701-0.3573-0.2367 ( 2899 PWs) bands (ev): -11.9594 -11.9594 -11.9587 -11.9587 -10.8102 -10.8102 -10.5739 -10.5739 -10.4720 -10.4720 -10.3168 -10.3168 -0.1371 -0.1371 0.1824 0.1824 1.5597 1.5597 1.7162 1.7162 1.7471 1.7471 1.7813 1.7813 2.6233 2.6233 2.9588 2.9588 3.5723 3.5723 3.8903 3.8903 4.7109 4.7109 4.8818 4.8818 5.4895 5.4895 5.8669 5.8669 5.9359 5.9359 6.1006 6.1006 6.9106 6.9106 7.0648 7.0648 14.1403 14.1403 14.4770 14.4770 16.9514 16.9514 16.9607 16.9607 17.9208 17.9208 k = 0.5818-0.3475-0.2302 ( 2899 PWs) bands (ev): -11.9550 -11.9550 -11.9536 -11.9536 -10.8354 -10.8354 -10.5604 -10.5604 -10.4843 -10.4843 -10.3049 -10.3049 -0.1564 -0.1564 0.2151 0.2151 1.5499 1.5499 1.7106 1.7106 1.7690 1.7690 1.7923 1.7923 2.6048 2.6048 2.9882 2.9882 3.5464 3.5464 3.9169 3.9169 4.6941 4.6941 4.8922 4.8922 5.4309 5.4309 5.8576 5.8576 5.9420 5.9420 6.1380 6.1380 6.8834 6.8834 7.0622 7.0622 14.1244 14.1244 14.5119 14.5119 16.9611 16.9611 16.9711 16.9711 17.9022 17.9022 k = 0.5935-0.3377-0.2237 ( 2899 PWs) bands (ev): -11.9501 -11.9501 -11.9476 -11.9476 -10.8611 -10.8611 -10.5479 -10.5479 -10.4964 -10.4964 -10.2932 -10.2932 -0.1746 -0.1746 0.2484 0.2484 1.5404 1.5404 1.7033 1.7033 1.7922 1.7922 1.8050 1.8050 2.5893 2.5893 3.0169 3.0169 3.5207 3.5207 3.9435 3.9435 4.6773 4.6773 4.9017 4.9017 5.3712 5.3712 5.8482 5.8482 5.9473 5.9473 6.1741 6.1741 6.8544 6.8544 7.0573 7.0573 14.1110 14.1110 14.5470 14.5470 16.9725 16.9725 16.9827 16.9827 17.8827 17.8827 k = 0.6052-0.3280-0.2172 ( 2907 PWs) bands (ev): -11.9449 -11.9449 -11.9409 -11.9409 -10.8872 -10.8872 -10.5363 -10.5363 -10.5082 -10.5082 -10.2820 -10.2820 -0.1915 -0.1915 0.2821 0.2821 1.5311 1.5311 1.6947 1.6947 1.8159 1.8159 1.8195 1.8195 2.5771 2.5771 3.0447 3.0447 3.4954 3.4954 3.9701 3.9701 4.6604 4.6604 4.9102 4.9102 5.3105 5.3105 5.8386 5.8386 5.9521 5.9521 6.2087 6.2087 6.8240 6.8240 7.0505 7.0505 14.1000 14.1000 14.5820 14.5820 16.9853 16.9853 16.9954 16.9954 17.8622 17.8622 k = 0.6169-0.3182-0.2108 ( 2907 PWs) bands (ev): -11.9393 -11.9393 -11.9333 -11.9333 -10.9136 -10.9136 -10.5257 -10.5257 -10.5196 -10.5196 -10.2712 -10.2712 -0.2073 -0.2073 0.3162 0.3162 1.5220 1.5220 1.6848 1.6848 1.8358 1.8358 1.8396 1.8396 2.5686 2.5686 3.0714 3.0714 3.4705 3.4705 3.9966 3.9966 4.6435 4.6435 4.9176 4.9176 5.2492 5.2492 5.8289 5.8289 5.9565 5.9565 6.2416 6.2416 6.7924 6.7924 7.0417 7.0417 14.0915 14.0915 14.6170 14.6170 16.9997 16.9997 17.0091 17.0091 17.8407 17.8407 k = 0.6286-0.3084-0.2043 ( 2906 PWs) bands (ev): -11.9335 -11.9335 -11.9251 -11.9251 -10.9401 -10.9401 -10.5307 -10.5307 -10.5159 -10.5159 -10.2609 -10.2609 -0.2220 -0.2220 0.3506 0.3506 1.5131 1.5131 1.6734 1.6734 1.8540 1.8540 1.8629 1.8629 2.5641 2.5641 3.0970 3.0970 3.4461 3.4461 4.0229 4.0229 4.6268 4.6268 4.9236 4.9236 5.1875 5.1875 5.8191 5.8191 5.9605 5.9605 6.2729 6.2729 6.7598 6.7598 7.0312 7.0312 14.0855 14.0855 14.6517 14.6517 17.0154 17.0154 17.0238 17.0238 17.8181 17.8181 k = 0.6403-0.2986-0.1978 ( 2900 PWs) bands (ev): -11.9276 -11.9276 -11.9160 -11.9160 -10.9666 -10.9666 -10.5414 -10.5414 -10.5071 -10.5071 -10.2509 -10.2509 -0.2355 -0.2355 0.3852 0.3852 1.5043 1.5043 1.6607 1.6607 1.8740 1.8740 1.8852 1.8852 2.5640 2.5640 3.1212 3.1212 3.4224 3.4224 4.0490 4.0490 4.6103 4.6103 4.9277 4.9277 5.1259 5.1259 5.8093 5.8093 5.9643 5.9643 6.3024 6.3024 6.7264 6.7264 7.0190 7.0190 14.0819 14.0819 14.6859 14.6859 17.0325 17.0325 17.0393 17.0393 17.7943 17.7943 k = 0.6520-0.2889-0.1914 ( 2906 PWs) bands (ev): -11.9218 -11.9218 -11.9062 -11.9062 -10.9928 -10.9928 -10.5517 -10.5517 -10.4992 -10.4992 -10.2415 -10.2415 -0.2479 -0.2479 0.4197 0.4197 1.4957 1.4957 1.6467 1.6467 1.8956 1.8956 1.9062 1.9062 2.5685 2.5685 3.1441 3.1441 3.3996 3.3996 4.0748 4.0748 4.5943 4.5943 4.9282 4.9282 5.0662 5.0662 5.7995 5.7995 5.9679 5.9679 6.3302 6.3302 6.6925 6.6925 7.0055 7.0055 14.0806 14.0806 14.7196 14.7196 17.0508 17.0508 17.0557 17.0557 17.7691 17.7691 k = 0.6637-0.2791-0.1849 ( 2910 PWs) bands (ev): -11.9163 -11.9163 -11.8958 -11.8958 -11.0186 -11.0186 -10.5616 -10.5616 -10.4923 -10.4923 -10.2325 -10.2325 -0.2592 -0.2592 0.4540 0.4540 1.4873 1.4873 1.6313 1.6313 1.9188 1.9188 1.9254 1.9254 2.5776 2.5776 3.1655 3.1655 3.3779 3.3779 4.1002 4.1002 4.5787 4.5787 4.9203 4.9203 5.0134 5.0134 5.7896 5.7896 5.9713 5.9713 6.3564 6.3564 6.6584 6.6584 6.9907 6.9907 14.0815 14.0815 14.7526 14.7526 17.0702 17.0702 17.0729 17.0729 17.7425 17.7425 k = 0.6754-0.2693-0.1784 ( 2912 PWs) bands (ev): -11.9111 -11.9111 -11.8846 -11.8846 -11.0437 -11.0437 -10.5711 -10.5711 -10.4861 -10.4861 -10.2239 -10.2239 -0.2696 -0.2696 0.4880 0.4880 1.4791 1.4791 1.6148 1.6148 1.9413 1.9413 1.9444 1.9444 2.5913 2.5913 3.1855 3.1855 3.3576 3.3576 4.1252 4.1252 4.5638 4.5638 4.8910 4.8910 4.9804 4.9804 5.7799 5.7799 5.9746 5.9746 6.3809 6.3809 6.6243 6.6243 6.9750 6.9750 14.0843 14.0843 14.7848 14.7848 17.0896 17.0896 17.0919 17.0919 17.7145 17.7145 k = 0.6871-0.2596-0.1719 ( 2909 PWs) bands (ev): -11.9066 -11.9066 -11.8728 -11.8728 -11.0678 -11.0678 -10.5802 -10.5802 -10.4809 -10.4809 -10.2158 -10.2158 -0.2789 -0.2789 0.5214 0.5214 1.4713 1.4713 1.5972 1.5972 1.9563 1.9563 1.9698 1.9698 2.6091 2.6091 3.2040 3.2040 3.3391 3.3391 4.1496 4.1496 4.5497 4.5497 4.8391 4.8391 4.9687 4.9687 5.7702 5.7702 5.9780 5.9780 6.4037 6.4037 6.5906 6.5906 6.9584 6.9584 14.0889 14.0889 14.8161 14.8161 17.1083 17.1083 17.1134 17.1134 17.6850 17.6850 k = 0.6988-0.2498-0.1655 ( 2906 PWs) bands (ev): -11.9030 -11.9030 -11.8604 -11.8604 -11.0907 -11.0907 -10.5887 -10.5887 -10.4765 -10.4765 -10.2081 -10.2081 -0.2873 -0.2873 0.5541 0.5541 1.4639 1.4639 1.5786 1.5786 1.9681 1.9681 1.9966 1.9966 2.6305 2.6305 3.2210 3.2210 3.3231 3.3231 4.1732 4.1732 4.5367 4.5367 4.7783 4.7783 4.9645 4.9645 5.7605 5.7605 5.9813 5.9813 6.4248 6.4248 6.5575 6.5575 6.9412 6.9412 14.0951 14.0951 14.8465 14.8465 17.1272 17.1272 17.1363 17.1363 17.6540 17.6540 k = 0.7104-0.2400-0.1590 ( 2907 PWs) bands (ev): -11.9006 -11.9006 -11.8475 -11.8475 -11.1120 -11.1120 -10.5968 -10.5968 -10.4730 -10.4730 -10.2009 -10.2009 -0.2948 -0.2948 0.5859 0.5859 1.4569 1.4569 1.5591 1.5591 1.9774 1.9774 2.0244 2.0244 2.6544 2.6544 3.2366 3.2366 3.3100 3.3100 4.1960 4.1960 4.5247 4.5247 4.7146 4.7146 4.9621 4.9621 5.7509 5.7509 5.9848 5.9848 6.4443 6.4443 6.5254 6.5254 6.9236 6.9236 14.1025 14.1025 14.8758 14.8758 17.1465 17.1465 17.1602 17.1602 17.6214 17.6214 k = 0.7221-0.2303-0.1525 ( 2909 PWs) bands (ev): -11.8995 -11.8995 -11.8339 -11.8339 -11.1314 -11.1314 -10.6045 -10.6045 -10.4703 -10.4703 -10.1941 -10.1941 -0.3014 -0.3014 0.6165 0.6165 1.4505 1.4505 1.5390 1.5390 1.9840 1.9840 2.0528 2.0528 2.6797 2.6797 3.2509 3.2509 3.3010 3.3010 4.2178 4.2178 4.5141 4.5141 4.6501 4.6501 4.9597 4.9597 5.7412 5.7412 5.9886 5.9886 6.4619 6.4619 6.4946 6.4946 6.9059 6.9059 14.1109 14.1109 14.9041 14.9041 17.1660 17.1660 17.1851 17.1851 17.5874 17.5874 k = 0.7338-0.2205-0.1461 ( 2910 PWs) bands (ev): -11.9002 -11.9002 -11.8199 -11.8199 -11.1487 -11.1487 -10.6116 -10.6116 -10.4684 -10.4684 -10.1877 -10.1877 -0.3073 -0.3073 0.6458 0.6458 1.4448 1.4448 1.5182 1.5182 1.9883 1.9883 2.0814 2.0814 2.7048 2.7048 3.2638 3.2638 3.2970 3.2970 4.2383 4.2383 4.5050 4.5050 4.5853 4.5853 4.9570 4.9570 5.7314 5.7314 5.9926 5.9926 6.4641 6.4641 6.4792 6.4792 6.8882 6.8882 14.1201 14.1201 14.9312 14.9312 17.1854 17.1854 17.2108 17.2108 17.5522 17.5522 k = 0.7455-0.2107-0.1396 ( 2912 PWs) bands (ev): -11.9028 -11.9028 -11.8054 -11.8054 -11.1634 -11.1634 -10.6183 -10.6183 -10.4672 -10.4672 -10.1817 -10.1817 -0.3124 -0.3124 0.6734 0.6734 1.4398 1.4398 1.4970 1.4970 1.9901 1.9901 2.1102 2.1102 2.7281 2.7281 3.2757 3.2757 3.2994 3.2994 4.2575 4.2575 4.4974 4.4974 4.5211 4.5211 4.9536 4.9536 5.7213 5.7213 5.9970 5.9970 6.4370 6.4370 6.4931 6.4931 6.8708 6.8708 14.1295 14.1295 14.9570 14.9570 17.2042 17.2042 17.2375 17.2375 17.5163 17.5163 k = 0.7572-0.2009-0.1331 ( 2913 PWs) bands (ev): -11.9075 -11.9075 -11.7905 -11.7905 -11.1753 -11.1753 -10.6244 -10.6244 -10.4668 -10.4668 -10.1761 -10.1761 -0.3168 -0.3168 0.6992 0.6992 1.4356 1.4356 1.4755 1.4755 1.9898 1.9898 2.1387 2.1387 2.7478 2.7478 3.2868 3.2868 3.3091 3.3091 4.2751 4.2751 4.4568 4.4568 4.4925 4.4925 4.9496 4.9496 5.7107 5.7107 6.0018 6.0018 6.4116 6.4116 6.5058 6.5058 6.8541 6.8541 14.1390 14.1390 14.9817 14.9817 17.2212 17.2212 17.2650 17.2650 17.4805 17.4805 k = 0.7689-0.1912-0.1266 ( 2911 PWs) bands (ev): -11.9146 -11.9146 -11.7752 -11.7752 -11.1843 -11.1843 -10.6300 -10.6300 -10.4671 -10.4671 -10.1709 -10.1709 -0.3205 -0.3205 0.7230 0.7230 1.4322 1.4322 1.4537 1.4537 1.9873 1.9873 2.1666 2.1666 2.7627 2.7627 3.2973 3.2973 3.3269 3.3269 4.2909 4.2909 4.3944 4.3944 4.4891 4.4891 4.9450 4.9450 5.6996 5.6996 6.0073 6.0073 6.3887 6.3887 6.5166 6.5166 6.8381 6.8381 14.1482 14.1482 15.0051 15.0051 17.2342 17.2342 17.2932 17.2932 17.4472 17.4472 k = 0.7806-0.1814-0.1202 ( 2909 PWs) bands (ev): -11.9242 -11.9242 -11.7596 -11.7596 -11.1901 -11.1901 -10.6351 -10.6351 -10.4680 -10.4680 -10.1660 -10.1660 -0.3237 -0.3237 0.7445 0.7445 1.4293 1.4293 1.4323 1.4323 1.9827 1.9827 2.1937 2.1937 2.7720 2.7720 3.3076 3.3076 3.3533 3.3533 4.3047 4.3047 4.3334 4.3334 4.4880 4.4880 4.9400 4.9400 5.6876 5.6876 6.0133 6.0133 6.3684 6.3684 6.5255 6.5255 6.8233 6.8233 14.1568 14.1568 15.0272 15.0272 17.2390 17.2390 17.3222 17.3222 17.4204 17.4204 Writing output data file AlBO3.save init_run : 0.34s CPU 0.45s WALL ( 1 calls) electrons : 234.02s CPU 238.76s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.02s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 234.01s CPU 238.75s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.00s WALL ( 1 calls) newd : 0.04s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.05s WALL ( 302 calls) cegterg : 218.86s CPU 221.66s WALL ( 675 calls) Called by sum_band: Called by *egterg: h_psi : 114.49s CPU 116.67s WALL ( 12101 calls) s_psi : 5.82s CPU 5.74s WALL ( 12101 calls) g_psi : 0.17s CPU 0.20s WALL ( 11124 calls) cdiaghg : 94.68s CPU 95.92s WALL ( 11426 calls) cegterg:over : 6.08s CPU 6.01s WALL ( 11124 calls) cegterg:upda : 5.44s CPU 5.29s WALL ( 11124 calls) cegterg:last : 2.26s CPU 2.33s WALL ( 1279 calls) cdiaghg:chol : 4.89s CPU 5.17s WALL ( 11426 calls) cdiaghg:inve : 3.78s CPU 3.71s WALL ( 11426 calls) cdiaghg:para : 5.64s CPU 5.87s WALL ( 22852 calls) Called by h_psi: h_psi:vloc : 100.22s CPU 101.97s WALL ( 12101 calls) h_psi:vnl : 14.02s CPU 14.48s WALL ( 12101 calls) add_vuspsi : 6.98s CPU 7.28s WALL ( 12101 calls) General routines calbec : 7.01s CPU 7.17s WALL ( 12101 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 93.68s CPU 95.40s WALL ( 963484 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.12s CPU 1.56s WALL ( 604 calls) Parallel routines fft_scatter : 29.18s CPU 29.71s WALL ( 963507 calls) PWSCF : 4m 8.27s CPU 4m49.19s WALL This run was terminated on: 18:48:29 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=