Program PWSCF v.5.1.1 starts on 12Jun2016 at 12:45:58 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 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 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: ./AlCuTe2.save/ file Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 69 54 15 1807 1230 185 Max 70 55 16 1811 1250 188 Sum 3345 2599 735 86839 59405 8925 bravais-lattice index = 14 lattice parameter (alat) = 13.7092 a.u. unit-cell volume = 1408.3939 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 3 number of electrons = 52.00 number of Kohn-Sham states= 62 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 237.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 13.709181 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.664790 celldm(5)= -0.664790 celldm(6)= 0.329579 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.329579 0.944128 0.000000 ) a(3) = ( -0.664790 -0.472064 0.578974 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.349083 0.863597 ) b(2) = ( 0.000000 1.059178 0.863597 ) b(3) = ( 0.000000 0.000000 1.727194 ) PseudoPot. # 1 for Te read from file: /home/autes/Pseudo/Te_MT_PBE.UPF MD5 check sum: 58ccb0a2ae5f507b1c31ab9daa3b9941 Pseudo is Norm-conserving, Zval = 6.0 Generated using "atomic" code by A. Dal Corso (espresso distribution) Using radial grid of 1245 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 2 for Al read from file: /home/autes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Cu read from file: /home/autes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: bfb9b73be46f5385f72b338ff57911ad Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1199 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 Te 6.00 127.60000 Te( 1.00) Al 3.00 26.98150 Al( 1.00) Cu 11.00 63.54600 Cu( 1.00) 2 Sym. Ops. (no inversion) found ( 1 have fractional translation) 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 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( 1 0 0 ) f =( 0.2500000 ) ( 0 1 0 ) ( -0.2500000 ) ( -1 -1 -1 ) ( 0.5000000 ) cart. s( 2) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.1647895 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.4720640 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2894868 ) double point group C_s (m) there are 4 classes and 2 irreducible representations the character table: E -E s -s G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E s -s G_3 0.00 0.00 1.00 -1.00 G_4 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 s 2 -E -1 -s -2 Cartesian axes number of k points= 261 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038314 k( 2) = ( 0.0000000 0.0000000 0.0227262), wk = 0.0038314 k( 3) = ( 0.0000000 0.0000000 0.0454525), wk = 0.0038314 k( 4) = ( 0.0000000 0.0000000 0.0681787), wk = 0.0038314 k( 5) = ( 0.0000000 0.0000000 0.0909050), wk = 0.0038314 k( 6) = ( 0.0000000 0.0000000 0.1136312), wk = 0.0038314 k( 7) = ( 0.0000000 0.0000000 0.1363575), wk = 0.0038314 k( 8) = ( 0.0000000 0.0000000 0.1590837), wk = 0.0038314 k( 9) = ( 0.0000000 0.0000000 0.1818099), wk = 0.0038314 k( 10) = ( 0.0000000 0.0000000 0.2045362), wk = 0.0038314 k( 11) = ( 0.0000000 0.0000000 0.2272624), wk = 0.0038314 k( 12) = ( 0.0000000 0.0000000 0.2499887), wk = 0.0038314 k( 13) = ( 0.0000000 0.0000000 0.2727149), wk = 0.0038314 k( 14) = ( 0.0000000 0.0000000 0.2954411), wk = 0.0038314 k( 15) = ( 0.0000000 0.0000000 0.3181674), wk = 0.0038314 k( 16) = ( 0.0000000 0.0000000 0.3408936), wk = 0.0038314 k( 17) = ( 0.0000000 0.0000000 0.3636199), wk = 0.0038314 k( 18) = ( 0.0000000 0.0000000 0.3863461), wk = 0.0038314 k( 19) = ( 0.0000000 0.0000000 0.4090724), wk = 0.0038314 k( 20) = ( 0.0000000 0.0000000 0.4317986), wk = 0.0038314 k( 21) = ( 0.0000000 0.0000000 0.4545248), wk = 0.0038314 k( 22) = ( 0.0000000 0.0000000 0.4772511), wk = 0.0038314 k( 23) = ( 0.0000000 0.0000000 0.4999773), wk = 0.0038314 k( 24) = ( 0.0000000 0.0000000 0.5227036), wk = 0.0038314 k( 25) = ( 0.0000000 0.0000000 0.5454298), wk = 0.0038314 k( 26) = ( 0.0000000 0.0000000 0.5681560), wk = 0.0038314 k( 27) = ( 0.0000000 0.0000000 0.5908823), wk = 0.0038314 k( 28) = ( 0.0000000 0.0000000 0.6136085), wk = 0.0038314 k( 29) = ( 0.0000000 0.0000000 0.6363348), wk = 0.0038314 k( 30) = ( 0.0000000 0.0000000 0.6590610), wk = 0.0038314 k( 31) = ( 0.0000000 0.0000000 0.6817872), wk = 0.0038314 k( 32) = ( 0.0000000 0.0000000 0.7045135), wk = 0.0038314 k( 33) = ( 0.0000000 0.0000000 0.7272397), wk = 0.0038314 k( 34) = ( 0.0000000 0.0000000 0.7499660), wk = 0.0038314 k( 35) = ( 0.0000000 0.0000000 0.7726922), wk = 0.0038314 k( 36) = ( 0.0000000 0.0000000 0.7954185), wk = 0.0038314 k( 37) = ( 0.0000000 0.0000000 0.8181447), wk = 0.0038314 k( 38) = ( 0.0000000 0.0000000 0.8408710), wk = 0.0038314 k( 39) = ( 0.0000000 0.0000000 0.8635972), wk = 0.0038314 k( 40) = ( 0.0000000 0.0000000 0.8635972), wk = 0.0038314 k( 41) = ( -0.0126059 0.0177524 0.8635972), wk = 0.0038314 k( 42) = ( -0.0252118 0.0355048 0.8635972), wk = 0.0038314 k( 43) = ( -0.0378177 0.0532572 0.8635972), wk = 0.0038314 k( 44) = ( -0.0504235 0.0710095 0.8635972), wk = 0.0038314 k( 45) = ( -0.0630294 0.0887619 0.8635972), wk = 0.0038314 k( 46) = ( -0.0756353 0.1065143 0.8635972), wk = 0.0038314 k( 47) = ( -0.0882412 0.1242667 0.8635972), wk = 0.0038314 k( 48) = ( -0.1008471 0.1420191 0.8635972), wk = 0.0038314 k( 49) = ( -0.1134530 0.1597715 0.8635972), wk = 0.0038314 k( 50) = ( -0.1260589 0.1775239 0.8635972), wk = 0.0038314 k( 51) = ( -0.1260589 0.1775239 0.8635972), wk = 0.0038314 k( 52) = ( -0.1354074 0.1906890 0.8474505), wk = 0.0038314 k( 53) = ( -0.1447559 0.2038542 0.8313037), wk = 0.0038314 k( 54) = ( -0.1541045 0.2170194 0.8151570), wk = 0.0038314 k( 55) = ( -0.1634530 0.2301845 0.7990103), wk = 0.0038314 k( 56) = ( -0.1728015 0.2433497 0.7828636), wk = 0.0038314 k( 57) = ( -0.1821500 0.2565149 0.7667168), wk = 0.0038314 k( 58) = ( -0.1914986 0.2696801 0.7505701), wk = 0.0038314 k( 59) = ( -0.2008471 0.2828452 0.7344234), wk = 0.0038314 k( 60) = ( -0.2101956 0.2960104 0.7182767), wk = 0.0038314 k( 61) = ( -0.2195441 0.3091756 0.7021299), wk = 0.0038314 k( 62) = ( -0.2288927 0.3223407 0.6859832), wk = 0.0038314 k( 63) = ( -0.2382412 0.3355059 0.6698365), wk = 0.0038314 k( 64) = ( -0.2475897 0.3486711 0.6536898), wk = 0.0038314 k( 65) = ( -0.2569383 0.3618363 0.6375430), wk = 0.0038314 k( 66) = ( -0.2662868 0.3750014 0.6213963), wk = 0.0038314 k( 67) = ( -0.2756353 0.3881666 0.6052496), wk = 0.0038314 k( 68) = ( -0.2849838 0.4013318 0.5891029), wk = 0.0038314 k( 69) = ( -0.2943324 0.4144970 0.5729561), wk = 0.0038314 k( 70) = ( -0.3036809 0.4276621 0.5568094), wk = 0.0038314 k( 71) = ( -0.3130294 0.4408273 0.5406627), wk = 0.0038314 k( 72) = ( -0.3130294 0.4408273 0.5406627), wk = 0.0038314 k( 73) = ( -0.3038227 0.4278618 0.5247608), wk = 0.0038314 k( 74) = ( -0.2946159 0.4148963 0.5088590), wk = 0.0038314 k( 75) = ( -0.2854092 0.4019308 0.4929571), wk = 0.0038314 k( 76) = ( -0.2762024 0.3889653 0.4770553), wk = 0.0038314 k( 77) = ( -0.2669957 0.3759997 0.4611535), wk = 0.0038314 k( 78) = ( -0.2577890 0.3630342 0.4452516), wk = 0.0038314 k( 79) = ( -0.2485822 0.3500687 0.4293498), wk = 0.0038314 k( 80) = ( -0.2393754 0.3371032 0.4134479), wk = 0.0038314 k( 81) = ( -0.2301687 0.3241377 0.3975461), wk = 0.0038314 k( 82) = ( -0.2209619 0.3111722 0.3816442), wk = 0.0038314 k( 83) = ( -0.2117552 0.2982067 0.3657424), wk = 0.0038314 k( 84) = ( -0.2025485 0.2852412 0.3498406), wk = 0.0038314 k( 85) = ( -0.1933417 0.2722757 0.3339387), wk = 0.0038314 k( 86) = ( -0.1841350 0.2593102 0.3180369), wk = 0.0038314 k( 87) = ( -0.1749282 0.2463447 0.3021350), wk = 0.0038314 k( 88) = ( -0.1657215 0.2333792 0.2862332), wk = 0.0038314 k( 89) = ( -0.1565147 0.2204137 0.2703313), wk = 0.0038314 k( 90) = ( -0.1473080 0.2074481 0.2544295), wk = 0.0038314 k( 91) = ( -0.1381012 0.1944826 0.2385277), wk = 0.0038314 k( 92) = ( -0.1288945 0.1815171 0.2226258), wk = 0.0038314 k( 93) = ( -0.1196877 0.1685516 0.2067240), wk = 0.0038314 k( 94) = ( -0.1104810 0.1555861 0.1908221), wk = 0.0038314 k( 95) = ( -0.1012742 0.1426206 0.1749203), wk = 0.0038314 k( 96) = ( -0.0920675 0.1296551 0.1590184), wk = 0.0038314 k( 97) = ( -0.0828607 0.1166896 0.1431166), wk = 0.0038314 k( 98) = ( -0.0736540 0.1037241 0.1272147), wk = 0.0038314 k( 99) = ( -0.0644472 0.0907586 0.1113129), wk = 0.0038314 k( 100) = ( -0.0552405 0.0777931 0.0954111), wk = 0.0038314 k( 101) = ( -0.0460337 0.0648275 0.0795092), wk = 0.0038314 k( 102) = ( -0.0368270 0.0518620 0.0636074), wk = 0.0038314 k( 103) = ( -0.0276202 0.0388965 0.0477055), wk = 0.0038314 k( 104) = ( -0.0184135 0.0259310 0.0318037), wk = 0.0038314 k( 105) = ( -0.0092067 0.0129655 0.0159018), wk = 0.0038314 k( 106) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038314 k( 107) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038314 k( 108) = ( 0.0185185 0.0131499 0.0000000), wk = 0.0038314 k( 109) = ( 0.0370370 0.0262998 0.0000000), wk = 0.0038314 k( 110) = ( 0.0555556 0.0394497 0.0000000), wk = 0.0038314 k( 111) = ( 0.0740741 0.0525997 0.0000000), wk = 0.0038314 k( 112) = ( 0.0925926 0.0657496 0.0000000), wk = 0.0038314 k( 113) = ( 0.1111111 0.0788995 0.0000000), wk = 0.0038314 k( 114) = ( 0.1296296 0.0920494 0.0000000), wk = 0.0038314 k( 115) = ( 0.1481482 0.1051993 0.0000000), wk = 0.0038314 k( 116) = ( 0.1666667 0.1183492 0.0000000), wk = 0.0038314 k( 117) = ( 0.1851852 0.1314992 0.0000000), wk = 0.0038314 k( 118) = ( 0.2037037 0.1446491 0.0000000), wk = 0.0038314 k( 119) = ( 0.2222222 0.1577990 0.0000000), wk = 0.0038314 k( 120) = ( 0.2407407 0.1709489 0.0000000), wk = 0.0038314 k( 121) = ( 0.2592593 0.1840988 0.0000000), wk = 0.0038314 k( 122) = ( 0.2777778 0.1972487 0.0000000), wk = 0.0038314 k( 123) = ( 0.2962963 0.2103986 0.0000000), wk = 0.0038314 k( 124) = ( 0.3148148 0.2235485 0.0000000), wk = 0.0038314 k( 125) = ( 0.3333333 0.2366985 0.0000000), wk = 0.0038314 k( 126) = ( 0.3518519 0.2498484 0.0000000), wk = 0.0038314 k( 127) = ( 0.3703704 0.2629983 0.0000000), wk = 0.0038314 k( 128) = ( 0.3888889 0.2761482 0.0000000), wk = 0.0038314 k( 129) = ( 0.4074074 0.2892981 0.0000000), wk = 0.0038314 k( 130) = ( 0.4259259 0.3024480 0.0000000), wk = 0.0038314 k( 131) = ( 0.4444444 0.3155980 0.0000000), wk = 0.0038314 k( 132) = ( 0.4629630 0.3287479 0.0000000), wk = 0.0038314 k( 133) = ( 0.4814815 0.3418978 0.0000000), wk = 0.0038314 k( 134) = ( 0.5000000 0.3550477 0.0000000), wk = 0.0038314 k( 135) = ( 0.5000000 0.3550477 0.0000000), wk = 0.0038314 k( 136) = ( 0.4906515 0.3682129 0.0161467), wk = 0.0038314 k( 137) = ( 0.4813029 0.3813780 0.0322935), wk = 0.0038314 k( 138) = ( 0.4719544 0.3945432 0.0484402), wk = 0.0038314 k( 139) = ( 0.4626059 0.4077084 0.0645869), wk = 0.0038314 k( 140) = ( 0.4532574 0.4208736 0.0807336), wk = 0.0038314 k( 141) = ( 0.4439088 0.4340387 0.0968804), wk = 0.0038314 k( 142) = ( 0.4345603 0.4472039 0.1130271), wk = 0.0038314 k( 143) = ( 0.4252118 0.4603691 0.1291738), wk = 0.0038314 k( 144) = ( 0.4158633 0.4735342 0.1453205), wk = 0.0038314 k( 145) = ( 0.4065147 0.4866994 0.1614672), wk = 0.0038314 k( 146) = ( 0.3971662 0.4998646 0.1776140), wk = 0.0038314 k( 147) = ( 0.3878177 0.5130298 0.1937607), wk = 0.0038314 k( 148) = ( 0.3784691 0.5261949 0.2099074), wk = 0.0038314 k( 149) = ( 0.3691206 0.5393601 0.2260542), wk = 0.0038314 k( 150) = ( 0.3597721 0.5525253 0.2422009), wk = 0.0038314 k( 151) = ( 0.3504235 0.5656905 0.2583476), wk = 0.0038314 k( 152) = ( 0.3410750 0.5788556 0.2744943), wk = 0.0038314 k( 153) = ( 0.3317265 0.5920208 0.2906411), wk = 0.0038314 k( 154) = ( 0.3223780 0.6051860 0.3067878), wk = 0.0038314 k( 155) = ( 0.3130294 0.6183512 0.3229345), wk = 0.0038314 k( 156) = ( 0.3130294 0.6183512 0.3229345), wk = 0.0038314 k( 157) = ( 0.2921608 0.6124337 0.3301921), wk = 0.0038314 k( 158) = ( 0.2712922 0.6065162 0.3374497), wk = 0.0038314 k( 159) = ( 0.2504235 0.6005988 0.3447073), wk = 0.0038314 k( 160) = ( 0.2295549 0.5946813 0.3519649), wk = 0.0038314 k( 161) = ( 0.2086863 0.5887638 0.3592225), wk = 0.0038314 k( 162) = ( 0.1878177 0.5828464 0.3664801), wk = 0.0038314 k( 163) = ( 0.1669490 0.5769289 0.3737378), wk = 0.0038314 k( 164) = ( 0.1460804 0.5710115 0.3809954), wk = 0.0038314 k( 165) = ( 0.1252118 0.5650940 0.3882530), wk = 0.0038314 k( 166) = ( 0.1043431 0.5591765 0.3955106), wk = 0.0038314 k( 167) = ( 0.0834745 0.5532591 0.4027682), wk = 0.0038314 k( 168) = ( 0.0626059 0.5473416 0.4100258), wk = 0.0038314 k( 169) = ( 0.0417373 0.5414241 0.4172834), wk = 0.0038314 k( 170) = ( 0.0208686 0.5355067 0.4245410), wk = 0.0038314 k( 171) = ( 0.0000000 0.5295892 0.4317986), wk = 0.0038314 k( 172) = ( 0.0000000 0.5295892 0.4317986), wk = 0.0038314 k( 173) = ( 0.0092593 0.5165498 0.4477911), wk = 0.0038314 k( 174) = ( 0.0185185 0.5035103 0.4637837), wk = 0.0038314 k( 175) = ( 0.0277778 0.4904708 0.4797762), wk = 0.0038314 k( 176) = ( 0.0370370 0.4774314 0.4957688), wk = 0.0038314 k( 177) = ( 0.0462963 0.4643919 0.5117613), wk = 0.0038314 k( 178) = ( 0.0555556 0.4513525 0.5277538), wk = 0.0038314 k( 179) = ( 0.0648148 0.4383130 0.5437464), wk = 0.0038314 k( 180) = ( 0.0740741 0.4252736 0.5597389), wk = 0.0038314 k( 181) = ( 0.0833333 0.4122341 0.5757315), wk = 0.0038314 k( 182) = ( 0.0925926 0.3991946 0.5917240), wk = 0.0038314 k( 183) = ( 0.1018518 0.3861552 0.6077165), wk = 0.0038314 k( 184) = ( 0.1111111 0.3731157 0.6237091), wk = 0.0038314 k( 185) = ( 0.1203704 0.3600763 0.6397016), wk = 0.0038314 k( 186) = ( 0.1296296 0.3470368 0.6556942), wk = 0.0038314 k( 187) = ( 0.1388889 0.3339973 0.6716867), wk = 0.0038314 k( 188) = ( 0.1481482 0.3209579 0.6876792), wk = 0.0038314 k( 189) = ( 0.1574074 0.3079184 0.7036718), wk = 0.0038314 k( 190) = ( 0.1666667 0.2948790 0.7196643), wk = 0.0038314 k( 191) = ( 0.1759259 0.2818395 0.7356569), wk = 0.0038314 k( 192) = ( 0.1851852 0.2688001 0.7516494), wk = 0.0038314 k( 193) = ( 0.1944444 0.2557606 0.7676419), wk = 0.0038314 k( 194) = ( 0.2037037 0.2427211 0.7836345), wk = 0.0038314 k( 195) = ( 0.2129630 0.2296817 0.7996270), wk = 0.0038314 k( 196) = ( 0.2222222 0.2166422 0.8156196), wk = 0.0038314 k( 197) = ( 0.2314815 0.2036028 0.8316121), wk = 0.0038314 k( 198) = ( 0.2407407 0.1905633 0.8476046), wk = 0.0038314 k( 199) = ( 0.2500000 0.1775238 0.8635972), wk = 0.0038314 k( 200) = ( 0.2500000 0.1775238 0.8635972), wk = 0.0038314 k( 201) = ( 0.2647059 0.1879664 0.8507896), wk = 0.0038314 k( 202) = ( 0.2794118 0.1984090 0.8379821), wk = 0.0038314 k( 203) = ( 0.2941177 0.2088516 0.8251746), wk = 0.0038314 k( 204) = ( 0.3088235 0.2192942 0.8123670), wk = 0.0038314 k( 205) = ( 0.3235294 0.2297367 0.7995595), wk = 0.0038314 k( 206) = ( 0.3382353 0.2401793 0.7867519), wk = 0.0038314 k( 207) = ( 0.3529412 0.2506219 0.7739444), wk = 0.0038314 k( 208) = ( 0.3676471 0.2610645 0.7611369), wk = 0.0038314 k( 209) = ( 0.3823529 0.2715071 0.7483293), wk = 0.0038314 k( 210) = ( 0.3970588 0.2819496 0.7355218), wk = 0.0038314 k( 211) = ( 0.4117647 0.2923922 0.7227143), wk = 0.0038314 k( 212) = ( 0.4264706 0.3028348 0.7099067), wk = 0.0038314 k( 213) = ( 0.4411765 0.3132774 0.6970992), wk = 0.0038314 k( 214) = ( 0.4558823 0.3237200 0.6842916), wk = 0.0038314 k( 215) = ( 0.4705882 0.3341625 0.6714841), wk = 0.0038314 k( 216) = ( 0.4852941 0.3446051 0.6586766), wk = 0.0038314 k( 217) = ( 0.5000000 0.3550477 0.6458690), wk = 0.0038314 k( 218) = ( 0.5000000 0.3550477 0.6458690), wk = 0.0038314 k( 219) = ( 0.5000000 0.3550477 0.6228023), wk = 0.0038314 k( 220) = ( 0.5000000 0.3550477 0.5997355), wk = 0.0038314 k( 221) = ( 0.5000000 0.3550477 0.5766688), wk = 0.0038314 k( 222) = ( 0.5000000 0.3550477 0.5536020), wk = 0.0038314 k( 223) = ( 0.5000000 0.3550477 0.5305353), wk = 0.0038314 k( 224) = ( 0.5000000 0.3550477 0.5074685), wk = 0.0038314 k( 225) = ( 0.5000000 0.3550477 0.4844018), wk = 0.0038314 k( 226) = ( 0.5000000 0.3550477 0.4613350), wk = 0.0038314 k( 227) = ( 0.5000000 0.3550477 0.4382683), wk = 0.0038314 k( 228) = ( 0.5000000 0.3550477 0.4152015), wk = 0.0038314 k( 229) = ( 0.5000000 0.3550477 0.3921348), wk = 0.0038314 k( 230) = ( 0.5000000 0.3550477 0.3690680), wk = 0.0038314 k( 231) = ( 0.5000000 0.3550477 0.3460013), wk = 0.0038314 k( 232) = ( 0.5000000 0.3550477 0.3229345), wk = 0.0038314 k( 233) = ( 0.5000000 0.3550477 0.2998678), wk = 0.0038314 k( 234) = ( 0.5000000 0.3550477 0.2768010), wk = 0.0038314 k( 235) = ( 0.5000000 0.3550477 0.2537342), wk = 0.0038314 k( 236) = ( 0.5000000 0.3550477 0.2306675), wk = 0.0038314 k( 237) = ( 0.5000000 0.3550477 0.2076007), wk = 0.0038314 k( 238) = ( 0.5000000 0.3550477 0.1845340), wk = 0.0038314 k( 239) = ( 0.5000000 0.3550477 0.1614672), wk = 0.0038314 k( 240) = ( 0.5000000 0.3550477 0.1384005), wk = 0.0038314 k( 241) = ( 0.5000000 0.3550477 0.1153337), wk = 0.0038314 k( 242) = ( 0.5000000 0.3550477 0.0922670), wk = 0.0038314 k( 243) = ( 0.5000000 0.3550477 0.0692002), wk = 0.0038314 k( 244) = ( 0.5000000 0.3550477 0.0461335), wk = 0.0038314 k( 245) = ( 0.5000000 0.3550477 0.0230667), wk = 0.0038314 k( 246) = ( 0.5000000 0.3550477 0.0000000), wk = 0.0038314 k( 247) = ( 0.0000000 0.0000000 0.8635972), wk = 0.0038314 k( 248) = ( 0.0178571 0.0126803 0.8635972), wk = 0.0038314 k( 249) = ( 0.0357143 0.0253606 0.8635972), wk = 0.0038314 k( 250) = ( 0.0535714 0.0380408 0.8635972), wk = 0.0038314 k( 251) = ( 0.0714286 0.0507211 0.8635972), wk = 0.0038314 k( 252) = ( 0.0892857 0.0634014 0.8635972), wk = 0.0038314 k( 253) = ( 0.1071429 0.0760817 0.8635972), wk = 0.0038314 k( 254) = ( 0.1250000 0.0887619 0.8635972), wk = 0.0038314 k( 255) = ( 0.1428571 0.1014422 0.8635972), wk = 0.0038314 k( 256) = ( 0.1607143 0.1141225 0.8635972), wk = 0.0038314 k( 257) = ( 0.1785714 0.1268028 0.8635972), wk = 0.0038314 k( 258) = ( 0.1964286 0.1394830 0.8635972), wk = 0.0038314 k( 259) = ( 0.2142857 0.1521633 0.8635972), wk = 0.0038314 k( 260) = ( 0.2321429 0.1648436 0.8635972), wk = 0.0038314 k( 261) = ( 0.2500000 0.1775238 0.8635972), wk = 0.0038314 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038314 k( 2) = ( 0.0000000 0.0000000 0.0131579), wk = 0.0038314 k( 3) = ( 0.0000000 0.0000000 0.0263158), wk = 0.0038314 k( 4) = ( 0.0000000 0.0000000 0.0394737), wk = 0.0038314 k( 5) = ( 0.0000000 0.0000000 0.0526316), wk = 0.0038314 k( 6) = ( 0.0000000 0.0000000 0.0657895), wk = 0.0038314 k( 7) = ( 0.0000000 0.0000000 0.0789474), wk = 0.0038314 k( 8) = ( 0.0000000 0.0000000 0.0921053), wk = 0.0038314 k( 9) = ( 0.0000000 0.0000000 0.1052632), wk = 0.0038314 k( 10) = ( 0.0000000 0.0000000 0.1184210), wk = 0.0038314 k( 11) = ( 0.0000000 0.0000000 0.1315790), wk = 0.0038314 k( 12) = ( 0.0000000 0.0000000 0.1447368), wk = 0.0038314 k( 13) = ( 0.0000000 0.0000000 0.1578947), wk = 0.0038314 k( 14) = ( 0.0000000 0.0000000 0.1710526), wk = 0.0038314 k( 15) = ( 0.0000000 0.0000000 0.1842105), wk = 0.0038314 k( 16) = ( 0.0000000 0.0000000 0.1973684), wk = 0.0038314 k( 17) = ( 0.0000000 0.0000000 0.2105263), wk = 0.0038314 k( 18) = ( 0.0000000 0.0000000 0.2236842), wk = 0.0038314 k( 19) = ( 0.0000000 0.0000000 0.2368421), wk = 0.0038314 k( 20) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0038314 k( 21) = ( 0.0000000 0.0000000 0.2631579), wk = 0.0038314 k( 22) = ( 0.0000000 0.0000000 0.2763158), wk = 0.0038314 k( 23) = ( 0.0000000 0.0000000 0.2894737), wk = 0.0038314 k( 24) = ( 0.0000000 0.0000000 0.3026316), wk = 0.0038314 k( 25) = ( 0.0000000 0.0000000 0.3157895), wk = 0.0038314 k( 26) = ( 0.0000000 0.0000000 0.3289474), wk = 0.0038314 k( 27) = ( 0.0000000 0.0000000 0.3421053), wk = 0.0038314 k( 28) = ( 0.0000000 0.0000000 0.3552632), wk = 0.0038314 k( 29) = ( 0.0000000 0.0000000 0.3684211), wk = 0.0038314 k( 30) = ( 0.0000000 0.0000000 0.3815789), wk = 0.0038314 k( 31) = ( 0.0000000 0.0000000 0.3947368), wk = 0.0038314 k( 32) = ( 0.0000000 0.0000000 0.4078947), wk = 0.0038314 k( 33) = ( 0.0000000 0.0000000 0.4210526), wk = 0.0038314 k( 34) = ( 0.0000000 0.0000000 0.4342105), wk = 0.0038314 k( 35) = ( 0.0000000 0.0000000 0.4473684), wk = 0.0038314 k( 36) = ( 0.0000000 0.0000000 0.4605263), wk = 0.0038314 k( 37) = ( 0.0000000 0.0000000 0.4736842), wk = 0.0038314 k( 38) = ( 0.0000000 0.0000000 0.4868421), wk = 0.0038314 k( 39) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0038314 k( 40) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0038314 k( 41) = ( -0.0126059 0.0126059 0.5000000), wk = 0.0038314 k( 42) = ( -0.0252118 0.0252118 0.5000000), wk = 0.0038314 k( 43) = ( -0.0378177 0.0378177 0.5000000), wk = 0.0038314 k( 44) = ( -0.0504235 0.0504235 0.5000000), wk = 0.0038314 k( 45) = ( -0.0630294 0.0630294 0.5000000), wk = 0.0038314 k( 46) = ( -0.0756353 0.0756353 0.5000000), wk = 0.0038314 k( 47) = ( -0.0882412 0.0882412 0.5000000), wk = 0.0038314 k( 48) = ( -0.1008471 0.1008471 0.5000000), wk = 0.0038314 k( 49) = ( -0.1134530 0.1134530 0.5000000), wk = 0.0038314 k( 50) = ( -0.1260589 0.1260589 0.5000000), wk = 0.0038314 k( 51) = ( -0.1260589 0.1260589 0.5000000), wk = 0.0038314 k( 52) = ( -0.1354074 0.1354074 0.4906515), wk = 0.0038314 k( 53) = ( -0.1447559 0.1447559 0.4813029), wk = 0.0038314 k( 54) = ( -0.1541045 0.1541045 0.4719544), wk = 0.0038314 k( 55) = ( -0.1634530 0.1634530 0.4626059), wk = 0.0038314 k( 56) = ( -0.1728015 0.1728015 0.4532574), wk = 0.0038314 k( 57) = ( -0.1821500 0.1821500 0.4439088), wk = 0.0038314 k( 58) = ( -0.1914986 0.1914986 0.4345603), wk = 0.0038314 k( 59) = ( -0.2008471 0.2008471 0.4252118), wk = 0.0038314 k( 60) = ( -0.2101956 0.2101956 0.4158633), wk = 0.0038314 k( 61) = ( -0.2195441 0.2195441 0.4065147), wk = 0.0038314 k( 62) = ( -0.2288927 0.2288927 0.3971662), wk = 0.0038314 k( 63) = ( -0.2382412 0.2382412 0.3878177), wk = 0.0038314 k( 64) = ( -0.2475897 0.2475897 0.3784691), wk = 0.0038314 k( 65) = ( -0.2569383 0.2569383 0.3691206), wk = 0.0038314 k( 66) = ( -0.2662868 0.2662868 0.3597721), wk = 0.0038314 k( 67) = ( -0.2756353 0.2756353 0.3504235), wk = 0.0038314 k( 68) = ( -0.2849838 0.2849838 0.3410750), wk = 0.0038314 k( 69) = ( -0.2943324 0.2943324 0.3317265), wk = 0.0038314 k( 70) = ( -0.3036809 0.3036809 0.3223780), wk = 0.0038314 k( 71) = ( -0.3130294 0.3130294 0.3130294), wk = 0.0038314 k( 72) = ( -0.3130294 0.3130294 0.3130294), wk = 0.0038314 k( 73) = ( -0.3038227 0.3038227 0.3038227), wk = 0.0038314 k( 74) = ( -0.2946159 0.2946159 0.2946159), wk = 0.0038314 k( 75) = ( -0.2854092 0.2854092 0.2854092), wk = 0.0038314 k( 76) = ( -0.2762024 0.2762024 0.2762024), wk = 0.0038314 k( 77) = ( -0.2669957 0.2669957 0.2669957), wk = 0.0038314 k( 78) = ( -0.2577890 0.2577890 0.2577890), wk = 0.0038314 k( 79) = ( -0.2485822 0.2485822 0.2485822), wk = 0.0038314 k( 80) = ( -0.2393754 0.2393754 0.2393754), wk = 0.0038314 k( 81) = ( -0.2301687 0.2301687 0.2301687), wk = 0.0038314 k( 82) = ( -0.2209619 0.2209620 0.2209620), wk = 0.0038314 k( 83) = ( -0.2117552 0.2117552 0.2117552), wk = 0.0038314 k( 84) = ( -0.2025485 0.2025485 0.2025485), wk = 0.0038314 k( 85) = ( -0.1933417 0.1933417 0.1933417), wk = 0.0038314 k( 86) = ( -0.1841350 0.1841350 0.1841350), wk = 0.0038314 k( 87) = ( -0.1749282 0.1749282 0.1749282), wk = 0.0038314 k( 88) = ( -0.1657215 0.1657215 0.1657215), wk = 0.0038314 k( 89) = ( -0.1565147 0.1565147 0.1565147), wk = 0.0038314 k( 90) = ( -0.1473080 0.1473080 0.1473080), wk = 0.0038314 k( 91) = ( -0.1381012 0.1381012 0.1381012), wk = 0.0038314 k( 92) = ( -0.1288945 0.1288945 0.1288945), wk = 0.0038314 k( 93) = ( -0.1196877 0.1196877 0.1196877), wk = 0.0038314 k( 94) = ( -0.1104810 0.1104810 0.1104810), wk = 0.0038314 k( 95) = ( -0.1012742 0.1012742 0.1012742), wk = 0.0038314 k( 96) = ( -0.0920675 0.0920675 0.0920675), wk = 0.0038314 k( 97) = ( -0.0828607 0.0828607 0.0828607), wk = 0.0038314 k( 98) = ( -0.0736540 0.0736540 0.0736540), wk = 0.0038314 k( 99) = ( -0.0644472 0.0644472 0.0644472), wk = 0.0038314 k( 100) = ( -0.0552405 0.0552405 0.0552405), wk = 0.0038314 k( 101) = ( -0.0460337 0.0460337 0.0460337), wk = 0.0038314 k( 102) = ( -0.0368270 0.0368270 0.0368270), wk = 0.0038314 k( 103) = ( -0.0276202 0.0276202 0.0276202), wk = 0.0038314 k( 104) = ( -0.0184135 0.0184135 0.0184135), wk = 0.0038314 k( 105) = ( -0.0092067 0.0092067 0.0092067), wk = 0.0038314 k( 106) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038314 k( 107) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038314 k( 108) = ( 0.0185185 0.0185185 -0.0185185), wk = 0.0038314 k( 109) = ( 0.0370370 0.0370370 -0.0370370), wk = 0.0038314 k( 110) = ( 0.0555556 0.0555556 -0.0555556), wk = 0.0038314 k( 111) = ( 0.0740741 0.0740741 -0.0740741), wk = 0.0038314 k( 112) = ( 0.0925926 0.0925926 -0.0925926), wk = 0.0038314 k( 113) = ( 0.1111111 0.1111111 -0.1111111), wk = 0.0038314 k( 114) = ( 0.1296296 0.1296296 -0.1296296), wk = 0.0038314 k( 115) = ( 0.1481482 0.1481482 -0.1481482), wk = 0.0038314 k( 116) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0038314 k( 117) = ( 0.1851852 0.1851852 -0.1851852), wk = 0.0038314 k( 118) = ( 0.2037037 0.2037037 -0.2037037), wk = 0.0038314 k( 119) = ( 0.2222222 0.2222222 -0.2222222), wk = 0.0038314 k( 120) = ( 0.2407407 0.2407407 -0.2407407), wk = 0.0038314 k( 121) = ( 0.2592593 0.2592593 -0.2592593), wk = 0.0038314 k( 122) = ( 0.2777778 0.2777778 -0.2777778), wk = 0.0038314 k( 123) = ( 0.2962963 0.2962963 -0.2962963), wk = 0.0038314 k( 124) = ( 0.3148148 0.3148148 -0.3148148), wk = 0.0038314 k( 125) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0038314 k( 126) = ( 0.3518519 0.3518519 -0.3518519), wk = 0.0038314 k( 127) = ( 0.3703704 0.3703704 -0.3703704), wk = 0.0038314 k( 128) = ( 0.3888889 0.3888889 -0.3888889), wk = 0.0038314 k( 129) = ( 0.4074074 0.4074074 -0.4074074), wk = 0.0038314 k( 130) = ( 0.4259259 0.4259259 -0.4259259), wk = 0.0038314 k( 131) = ( 0.4444444 0.4444444 -0.4444444), wk = 0.0038314 k( 132) = ( 0.4629630 0.4629630 -0.4629630), wk = 0.0038314 k( 133) = ( 0.4814815 0.4814815 -0.4814815), wk = 0.0038314 k( 134) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0038314 k( 135) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0038314 k( 136) = ( 0.4906515 0.5093485 -0.4906515), wk = 0.0038314 k( 137) = ( 0.4813029 0.5186971 -0.4813029), wk = 0.0038314 k( 138) = ( 0.4719544 0.5280456 -0.4719544), wk = 0.0038314 k( 139) = ( 0.4626059 0.5373941 -0.4626059), wk = 0.0038314 k( 140) = ( 0.4532574 0.5467426 -0.4532574), wk = 0.0038314 k( 141) = ( 0.4439088 0.5560912 -0.4439088), wk = 0.0038314 k( 142) = ( 0.4345603 0.5654397 -0.4345603), wk = 0.0038314 k( 143) = ( 0.4252118 0.5747882 -0.4252118), wk = 0.0038314 k( 144) = ( 0.4158633 0.5841368 -0.4158633), wk = 0.0038314 k( 145) = ( 0.4065147 0.5934853 -0.4065147), wk = 0.0038314 k( 146) = ( 0.3971662 0.6028338 -0.3971662), wk = 0.0038314 k( 147) = ( 0.3878177 0.6121823 -0.3878177), wk = 0.0038314 k( 148) = ( 0.3784691 0.6215309 -0.3784691), wk = 0.0038314 k( 149) = ( 0.3691206 0.6308794 -0.3691206), wk = 0.0038314 k( 150) = ( 0.3597721 0.6402279 -0.3597721), wk = 0.0038314 k( 151) = ( 0.3504235 0.6495764 -0.3504235), wk = 0.0038314 k( 152) = ( 0.3410750 0.6589250 -0.3410750), wk = 0.0038314 k( 153) = ( 0.3317265 0.6682735 -0.3317265), wk = 0.0038314 k( 154) = ( 0.3223780 0.6776220 -0.3223780), wk = 0.0038314 k( 155) = ( 0.3130294 0.6869706 -0.3130294), wk = 0.0038314 k( 156) = ( 0.3130294 0.6869706 -0.3130294), wk = 0.0038314 k( 157) = ( 0.2921608 0.6745059 -0.2921608), wk = 0.0038314 k( 158) = ( 0.2712922 0.6620412 -0.2712922), wk = 0.0038314 k( 159) = ( 0.2504235 0.6495764 -0.2504235), wk = 0.0038314 k( 160) = ( 0.2295549 0.6371117 -0.2295549), wk = 0.0038314 k( 161) = ( 0.2086863 0.6246470 -0.2086863), wk = 0.0038314 k( 162) = ( 0.1878177 0.6121823 -0.1878177), wk = 0.0038314 k( 163) = ( 0.1669490 0.5997176 -0.1669490), wk = 0.0038314 k( 164) = ( 0.1460804 0.5872529 -0.1460804), wk = 0.0038314 k( 165) = ( 0.1252118 0.5747882 -0.1252118), wk = 0.0038314 k( 166) = ( 0.1043431 0.5623235 -0.1043431), wk = 0.0038314 k( 167) = ( 0.0834745 0.5498588 -0.0834745), wk = 0.0038314 k( 168) = ( 0.0626059 0.5373941 -0.0626059), wk = 0.0038314 k( 169) = ( 0.0417373 0.5249294 -0.0417373), wk = 0.0038314 k( 170) = ( 0.0208686 0.5124647 -0.0208686), wk = 0.0038314 k( 171) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0038314 k( 172) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0038314 k( 173) = ( 0.0092593 0.4907407 0.0092593), wk = 0.0038314 k( 174) = ( 0.0185185 0.4814815 0.0185185), wk = 0.0038314 k( 175) = ( 0.0277778 0.4722222 0.0277778), wk = 0.0038314 k( 176) = ( 0.0370370 0.4629630 0.0370370), wk = 0.0038314 k( 177) = ( 0.0462963 0.4537037 0.0462963), wk = 0.0038314 k( 178) = ( 0.0555556 0.4444444 0.0555556), wk = 0.0038314 k( 179) = ( 0.0648148 0.4351852 0.0648148), wk = 0.0038314 k( 180) = ( 0.0740741 0.4259259 0.0740741), wk = 0.0038314 k( 181) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0038314 k( 182) = ( 0.0925926 0.4074074 0.0925926), wk = 0.0038314 k( 183) = ( 0.1018518 0.3981481 0.1018519), wk = 0.0038314 k( 184) = ( 0.1111111 0.3888889 0.1111111), wk = 0.0038314 k( 185) = ( 0.1203704 0.3796296 0.1203704), wk = 0.0038314 k( 186) = ( 0.1296296 0.3703704 0.1296296), wk = 0.0038314 k( 187) = ( 0.1388889 0.3611111 0.1388889), wk = 0.0038314 k( 188) = ( 0.1481482 0.3518519 0.1481482), wk = 0.0038314 k( 189) = ( 0.1574074 0.3425926 0.1574074), wk = 0.0038314 k( 190) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0038314 k( 191) = ( 0.1759259 0.3240741 0.1759259), wk = 0.0038314 k( 192) = ( 0.1851852 0.3148148 0.1851852), wk = 0.0038314 k( 193) = ( 0.1944444 0.3055556 0.1944444), wk = 0.0038314 k( 194) = ( 0.2037037 0.2962963 0.2037037), wk = 0.0038314 k( 195) = ( 0.2129630 0.2870370 0.2129630), wk = 0.0038314 k( 196) = ( 0.2222222 0.2777778 0.2222222), wk = 0.0038314 k( 197) = ( 0.2314815 0.2685185 0.2314815), wk = 0.0038314 k( 198) = ( 0.2407407 0.2592593 0.2407407), wk = 0.0038314 k( 199) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0038314 k( 200) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0038314 k( 201) = ( 0.2647059 0.2647059 0.2278789), wk = 0.0038314 k( 202) = ( 0.2794118 0.2794118 0.2057578), wk = 0.0038314 k( 203) = ( 0.2941177 0.2941177 0.1836367), wk = 0.0038314 k( 204) = ( 0.3088235 0.3088235 0.1615156), wk = 0.0038314 k( 205) = ( 0.3235294 0.3235294 0.1393945), wk = 0.0038314 k( 206) = ( 0.3382353 0.3382353 0.1172733), wk = 0.0038314 k( 207) = ( 0.3529412 0.3529412 0.0951522), wk = 0.0038314 k( 208) = ( 0.3676471 0.3676471 0.0730311), wk = 0.0038314 k( 209) = ( 0.3823529 0.3823529 0.0509100), wk = 0.0038314 k( 210) = ( 0.3970588 0.3970588 0.0287889), wk = 0.0038314 k( 211) = ( 0.4117647 0.4117647 0.0066678), wk = 0.0038314 k( 212) = ( 0.4264706 0.4264706 -0.0154533), wk = 0.0038314 k( 213) = ( 0.4411765 0.4411765 -0.0375744), wk = 0.0038314 k( 214) = ( 0.4558823 0.4558823 -0.0596955), wk = 0.0038314 k( 215) = ( 0.4705882 0.4705882 -0.0818166), wk = 0.0038314 k( 216) = ( 0.4852941 0.4852941 -0.1039378), wk = 0.0038314 k( 217) = ( 0.5000000 0.5000000 -0.1260589), wk = 0.0038314 k( 218) = ( 0.5000000 0.5000000 -0.1260589), wk = 0.0038314 k( 219) = ( 0.5000000 0.5000000 -0.1394139), wk = 0.0038314 k( 220) = ( 0.5000000 0.5000000 -0.1527689), wk = 0.0038314 k( 221) = ( 0.5000000 0.5000000 -0.1661240), wk = 0.0038314 k( 222) = ( 0.5000000 0.5000000 -0.1794790), wk = 0.0038314 k( 223) = ( 0.5000000 0.5000000 -0.1928341), wk = 0.0038314 k( 224) = ( 0.5000000 0.5000000 -0.2061891), wk = 0.0038314 k( 225) = ( 0.5000000 0.5000000 -0.2195441), wk = 0.0038314 k( 226) = ( 0.5000000 0.5000000 -0.2328992), wk = 0.0038314 k( 227) = ( 0.5000000 0.5000000 -0.2462542), wk = 0.0038314 k( 228) = ( 0.5000000 0.5000000 -0.2596093), wk = 0.0038314 k( 229) = ( 0.5000000 0.5000000 -0.2729643), wk = 0.0038314 k( 230) = ( 0.5000000 0.5000000 -0.2863193), wk = 0.0038314 k( 231) = ( 0.5000000 0.5000000 -0.2996744), wk = 0.0038314 k( 232) = ( 0.5000000 0.5000000 -0.3130294), wk = 0.0038314 k( 233) = ( 0.5000000 0.5000000 -0.3263845), wk = 0.0038314 k( 234) = ( 0.5000000 0.5000000 -0.3397395), wk = 0.0038314 k( 235) = ( 0.5000000 0.5000000 -0.3530946), wk = 0.0038314 k( 236) = ( 0.5000000 0.5000000 -0.3664496), wk = 0.0038314 k( 237) = ( 0.5000000 0.5000000 -0.3798046), wk = 0.0038314 k( 238) = ( 0.5000000 0.5000000 -0.3931597), wk = 0.0038314 k( 239) = ( 0.5000000 0.5000000 -0.4065147), wk = 0.0038314 k( 240) = ( 0.5000000 0.5000000 -0.4198698), wk = 0.0038314 k( 241) = ( 0.5000000 0.5000000 -0.4332248), wk = 0.0038314 k( 242) = ( 0.5000000 0.5000000 -0.4465798), wk = 0.0038314 k( 243) = ( 0.5000000 0.5000000 -0.4599349), wk = 0.0038314 k( 244) = ( 0.5000000 0.5000000 -0.4732899), wk = 0.0038314 k( 245) = ( 0.5000000 0.5000000 -0.4866450), wk = 0.0038314 k( 246) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0038314 k( 247) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0038314 k( 248) = ( 0.0178571 0.0178571 0.4821429), wk = 0.0038314 k( 249) = ( 0.0357143 0.0357143 0.4642857), wk = 0.0038314 k( 250) = ( 0.0535714 0.0535714 0.4464286), wk = 0.0038314 k( 251) = ( 0.0714286 0.0714286 0.4285714), wk = 0.0038314 k( 252) = ( 0.0892857 0.0892857 0.4107143), wk = 0.0038314 k( 253) = ( 0.1071429 0.1071429 0.3928571), wk = 0.0038314 k( 254) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0038314 k( 255) = ( 0.1428571 0.1428571 0.3571429), wk = 0.0038314 k( 256) = ( 0.1607143 0.1607143 0.3392857), wk = 0.0038314 k( 257) = ( 0.1785714 0.1785714 0.3214286), wk = 0.0038314 k( 258) = ( 0.1964286 0.1964286 0.3035714), wk = 0.0038314 k( 259) = ( 0.2142857 0.2142857 0.2857143), wk = 0.0038314 k( 260) = ( 0.2321429 0.2321429 0.2678571), wk = 0.0038314 k( 261) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0038314 Dense grid: 86839 G-vectors FFT dimensions: ( 72, 72, 72) Smooth grid: 59405 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.30 Mb ( 314, 62) NL pseudopotentials 0.48 Mb ( 157, 200) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.01 Mb ( 1808) G-vector shells 0.01 Mb ( 862) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.19 Mb ( 314, 248) Each subspace H/S matrix 0.94 Mb ( 248, 248) Each matrix 0.38 Mb ( 200, 2, 62) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./AlCuTe2.save/charge-density.dat Starting wfc are 84 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 44.6 secs Computing kpt #: 2 total cpu time spent up to now is 48.4 secs Computing kpt #: 3 total cpu time spent up to now is 52.1 secs Computing kpt #: 4 total cpu time spent up to now is 55.9 secs Computing kpt #: 5 total cpu time spent up to now is 59.7 secs Computing kpt #: 6 total cpu time spent up to now is 63.4 secs Computing kpt #: 7 total cpu time spent up to now is 67.1 secs Computing kpt #: 8 total cpu time spent up to now is 70.9 secs Computing kpt #: 9 total cpu time spent up to now is 74.5 secs Computing kpt #: 10 total cpu time spent up to now is 78.4 secs Computing kpt #: 11 total cpu time spent up to now is 82.1 secs Computing kpt #: 12 total cpu time spent up to now is 85.8 secs Computing kpt #: 13 total cpu time spent up to now is 89.7 secs Computing kpt #: 14 total cpu time spent up to now is 93.7 secs Computing kpt #: 15 total cpu time spent up to now is 97.4 secs Computing kpt #: 16 total cpu time spent up to now is 101.3 secs Computing kpt #: 17 total cpu time spent up to now is 105.1 secs Computing kpt #: 18 total cpu time spent up to now is 109.4 secs Computing kpt #: 19 total cpu time spent up to now is 113.3 secs Computing kpt #: 20 total cpu time spent up to now is 117.1 secs Computing kpt #: 21 total cpu time spent up to now is 120.8 secs Computing kpt #: 22 total cpu time spent up to now is 124.5 secs Computing kpt #: 23 total cpu time spent up to now is 128.2 secs Computing kpt #: 24 total cpu time spent up to now is 131.9 secs Computing kpt #: 25 total cpu time spent up to now is 135.7 secs Computing kpt #: 26 total cpu time spent up to now is 139.8 secs Computing kpt #: 27 total cpu time spent up to now is 143.7 secs Computing kpt #: 28 total cpu time spent up to now is 147.6 secs Computing kpt #: 29 total cpu time spent up to now is 151.5 secs Computing kpt #: 30 total cpu time spent up to now is 155.5 secs Computing kpt #: 31 total cpu time spent up to now is 159.4 secs Computing kpt #: 32 total cpu time spent up to now is 163.5 secs Computing kpt #: 33 total cpu time spent up to now is 167.5 secs Computing kpt #: 34 total cpu time spent up to now is 171.6 secs Computing kpt #: 35 total cpu time spent up to now is 175.6 secs Computing kpt #: 36 total cpu time spent up to now is 180.2 secs Computing kpt #: 37 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 188.5 secs Computing kpt #: 38 total cpu time spent up to now is 192.8 secs Computing kpt #: 39 total cpu time spent up to now is 196.7 secs Computing kpt #: 40 total cpu time spent up to now is 201.8 secs Computing kpt #: 41 total cpu time spent up to now is 205.6 secs Computing kpt #: 42 total cpu time spent up to now is 209.5 secs Computing kpt #: 43 total cpu time spent up to now is 213.3 secs Computing kpt #: 44 total cpu time spent up to now is 217.2 secs Computing kpt #: 45 total cpu time spent up to now is 220.9 secs Computing kpt #: 46 total cpu time spent up to now is 224.7 secs Computing kpt #: 47 total cpu time spent up to now is 228.3 secs Computing kpt #: 48 total cpu time spent up to now is 232.4 secs Computing kpt #: 49 total cpu time spent up to now is 236.1 secs Computing kpt #: 50 total cpu time spent up to now is 239.8 secs Computing kpt #: 51 total cpu time spent up to now is 243.7 secs Computing kpt #: 52 total cpu time spent up to now is 247.5 secs Computing kpt #: 53 total cpu time spent up to now is 251.5 secs Computing kpt #: 54 total cpu time spent up to now is 255.6 secs Computing kpt #: 55 total cpu time spent up to now is 259.5 secs Computing kpt #: 56 total cpu time spent up to now is 263.4 secs Computing kpt #: 57 total cpu time spent up to now is 267.3 secs Computing kpt #: 58 total cpu time spent up to now is 271.2 secs Computing kpt #: 59 total cpu time spent up to now is 275.1 secs Computing kpt #: 60 total cpu time spent up to now is 278.9 secs Computing kpt #: 61 total cpu time spent up to now is 282.7 secs Computing kpt #: 62 total cpu time spent up to now is 286.4 secs Computing kpt #: 63 total cpu time spent up to now is 290.2 secs Computing kpt #: 64 total cpu time spent up to now is 293.9 secs Computing kpt #: 65 total cpu time spent up to now is 298.1 secs Computing kpt #: 66 total cpu time spent up to now is 302.5 secs Computing kpt #: 67 total cpu time spent up to now is 306.4 secs Computing kpt #: 68 total cpu time spent up to now is 310.6 secs Computing kpt #: 69 total cpu time spent up to now is 314.7 secs Computing kpt #: 70 total cpu time spent up to now is 318.8 secs Computing kpt #: 71 total cpu time spent up to now is 323.0 secs Computing kpt #: 72 total cpu time spent up to now is 327.4 secs Computing kpt #: 73 total cpu time spent up to now is 331.7 secs Computing kpt #: 74 total cpu time spent up to now is 335.9 secs Computing kpt #: 75 total cpu time spent up to now is 339.9 secs Computing kpt #: 76 total cpu time spent up to now is 343.9 secs Computing kpt #: 77 total cpu time spent up to now is 347.9 secs Computing kpt #: 78 total cpu time spent up to now is 351.7 secs Computing kpt #: 79 total cpu time spent up to now is 355.6 secs Computing kpt #: 80 total cpu time spent up to now is 359.3 secs Computing kpt #: 81 total cpu time spent up to now is 363.7 secs Computing kpt #: 82 total cpu time spent up to now is 367.5 secs Computing kpt 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spent up to now is 429.4 secs Computing kpt #: 99 total cpu time spent up to now is 433.0 secs Computing kpt #: 100 total cpu time spent up to now is 436.6 secs Computing kpt #: 101 total cpu time spent up to now is 440.4 secs Computing kpt #: 102 total cpu time spent up to now is 444.2 secs Computing kpt #: 103 total cpu time spent up to now is 448.1 secs Computing kpt #: 104 total cpu time spent up to now is 451.7 secs Computing kpt #: 105 total cpu time spent up to now is 455.4 secs Computing kpt #: 106 total cpu time spent up to now is 459.0 secs Computing kpt #: 107 total cpu time spent up to now is 462.6 secs Computing kpt #: 108 total cpu time spent up to now is 466.1 secs Computing kpt #: 109 total cpu time spent up to now is 469.7 secs Computing kpt #: 110 total cpu time spent up to now is 473.6 secs Computing kpt #: 111 total cpu time spent up to now is 477.4 secs Computing kpt #: 112 total cpu time spent up to now is 481.0 secs Computing kpt #: 113 total cpu time spent up to 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538.0 secs Computing kpt #: 129 total cpu time spent up to now is 541.5 secs Computing kpt #: 130 total cpu time spent up to now is 544.9 secs Computing kpt #: 131 total cpu time spent up to now is 548.5 secs Computing kpt #: 132 total cpu time spent up to now is 552.4 secs Computing kpt #: 133 total cpu time spent up to now is 556.1 secs Computing kpt #: 134 total cpu time spent up to now is 559.3 secs Computing kpt #: 135 total cpu time spent up to now is 562.7 secs Computing kpt #: 136 total cpu time spent up to now is 566.7 secs Computing kpt #: 137 total cpu time spent up to now is 570.4 secs Computing kpt #: 138 total cpu time spent up to now is 574.2 secs Computing kpt #: 139 total cpu time spent up to now is 578.0 secs Computing kpt #: 140 total cpu time spent up to now is 581.8 secs Computing kpt #: 141 total cpu time spent up to now is 585.6 secs Computing kpt #: 142 total cpu time spent up to now is 589.4 secs Computing kpt #: 143 total cpu time spent up to now is 593.1 secs Computing kpt #: 144 total cpu time spent up to now is 597.0 secs Computing kpt #: 145 total cpu time spent up to now is 600.7 secs Computing kpt #: 146 total cpu time spent up to now is 604.5 secs Computing kpt #: 147 total cpu time spent up to now is 608.5 secs Computing kpt #: 148 total cpu time spent up to now is 612.3 secs Computing kpt #: 149 total cpu time spent up to now is 616.2 secs Computing kpt #: 150 total cpu time spent up to now is 620.4 secs Computing kpt #: 151 total cpu time spent up to now is 624.2 secs Computing kpt #: 152 total cpu time spent up to now is 628.2 secs Computing kpt #: 153 total cpu time spent up to now is 632.2 secs Computing kpt #: 154 total cpu time spent up to now is 636.4 secs Computing kpt #: 155 total cpu time spent up to now is 640.5 secs Computing kpt #: 156 total cpu time spent up to now is 644.5 secs Computing kpt #: 157 total cpu time spent up to now is 648.6 secs Computing kpt #: 158 total cpu time spent up to now is 652.8 secs Computing kpt #: 159 total cpu time spent up to now is 656.9 secs Computing kpt #: 160 total cpu time spent up to now is 660.9 secs Computing kpt #: 161 total cpu time spent up to now is 664.9 secs Computing kpt #: 162 total cpu time spent up to now is 668.9 secs Computing kpt #: 163 total cpu time spent up to now is 672.9 secs Computing kpt #: 164 total cpu time spent up to now is 676.9 secs Computing kpt #: 165 total cpu time spent up to now is 680.8 secs Computing kpt #: 166 total cpu time spent up to now is 684.7 secs Computing kpt #: 167 total cpu time spent up to now is 688.8 secs Computing kpt #: 168 total cpu time spent up to now is 693.0 secs Computing kpt #: 169 total cpu time spent up to now is 697.2 secs Computing kpt #: 170 total cpu time spent up to now is 701.3 secs Computing kpt #: 171 total cpu time spent up to now is 706.1 secs Computing kpt #: 172 total cpu time spent up to now is 710.2 secs Computing kpt #: 173 total cpu time spent up to now is 714.2 secs Computing kpt #: 174 total cpu time spent up to now is 718.3 secs Computing kpt #: 175 total cpu time spent up to now is 722.5 secs Computing kpt #: 176 total cpu time spent up to now is 726.6 secs Computing kpt #: 177 total cpu time spent up to now is 730.5 secs Computing kpt #: 178 total cpu time spent up to now is 734.7 secs Computing kpt #: 179 total cpu time spent up to now is 738.7 secs Computing kpt #: 180 total cpu time spent up to now is 742.7 secs Computing kpt #: 181 total cpu time spent up to now is 746.7 secs Computing kpt #: 182 total cpu time spent up to now is 750.6 secs Computing kpt #: 183 total cpu time spent up to now is 754.7 secs Computing kpt #: 184 total cpu time spent up to now is 758.9 secs Computing kpt #: 185 total cpu time spent up to now is 763.4 secs Computing kpt #: 186 total cpu time spent up to now is 767.3 secs Computing kpt #: 187 total cpu time spent up to now is 771.2 secs Computing kpt #: 188 total cpu time spent up to now is 775.0 secs Computing kpt #: 189 total cpu time spent up to now is 778.9 secs Computing kpt #: 190 total cpu time spent up to now is 782.7 secs Computing kpt #: 191 total cpu time spent up to now is 786.9 secs Computing kpt #: 192 total cpu time spent up to now is 791.7 secs Computing kpt #: 193 total cpu time spent up to now is 795.7 secs Computing kpt #: 194 total cpu time spent up to now is 799.4 secs Computing kpt #: 195 total cpu time spent up to now is 803.1 secs Computing kpt #: 196 total cpu time spent up to now is 806.8 secs Computing kpt #: 197 total cpu time spent up to now is 810.5 secs Computing kpt #: 198 total cpu time spent up to now is 814.4 secs Computing kpt #: 199 total cpu time spent up to now is 818.4 secs Computing kpt #: 200 total cpu time spent up to now is 822.6 secs Computing kpt #: 201 total cpu time spent up to now is 826.5 secs Computing kpt #: 202 total cpu time spent up to now is 830.4 secs Computing kpt #: 203 total cpu time spent up to now is 834.0 secs Computing kpt #: 204 total cpu time spent up to now is 838.1 secs Computing kpt #: 205 total cpu time spent up to now is 841.8 secs Computing kpt #: 206 total cpu time spent up to now is 846.8 secs Computing kpt #: 207 total cpu time spent up to now is 850.5 secs Computing kpt #: 208 total cpu time spent up to now is 854.3 secs Computing kpt #: 209 total cpu time spent up to now is 858.3 secs Computing kpt #: 210 total cpu time spent up to now is 862.0 secs Computing kpt #: 211 total cpu time spent up to now is 866.1 secs Computing kpt #: 212 total cpu time spent up to now is 869.9 secs Computing kpt #: 213 total cpu time spent up to now is 873.7 secs Computing kpt #: 214 total cpu time spent up to now is 877.4 secs Computing kpt #: 215 total cpu time spent up to now is 881.2 secs Computing kpt #: 216 total cpu time spent up to now is 885.6 secs Computing kpt #: 217 total cpu time spent up to now is 889.5 secs Computing kpt #: 218 total cpu time spent up to now is 893.4 secs Computing kpt #: 219 total cpu time spent up to now is 897.6 secs Computing kpt #: 220 total cpu time spent up to now is 901.5 secs Computing kpt #: 221 total cpu time spent up to now is 905.4 secs Computing kpt #: 222 total cpu time spent up to now is 909.1 secs Computing kpt #: 223 total cpu time spent up to now is 912.9 secs Computing kpt #: 224 total cpu time spent up to now is 917.0 secs Computing kpt #: 225 total cpu time spent up to now is 920.8 secs Computing kpt #: 226 total cpu time spent up to now is 924.8 secs Computing kpt #: 227 total cpu time spent up to now is 928.6 secs Computing kpt #: 228 total cpu time spent up to now is 932.5 secs Computing kpt #: 229 total cpu time spent up to now is 936.3 secs Computing kpt #: 230 total cpu time spent up to now is 940.4 secs Computing kpt #: 231 total cpu time spent up to now is 944.5 secs Computing kpt #: 232 total cpu time spent up to now is 948.3 secs Computing kpt #: 233 total cpu time spent up to now is 952.4 secs Computing kpt #: 234 total cpu time spent up to now is 956.6 secs Computing kpt #: 235 total cpu time spent up to now is 960.3 secs Computing kpt #: 236 total cpu time spent up to now is 964.2 secs Computing kpt #: 237 total cpu time spent up to now is 968.5 secs Computing kpt #: 238 total cpu time spent up to now is 972.2 secs Computing kpt #: 239 total cpu time spent up to now is 976.4 secs Computing kpt #: 240 total cpu time spent up to now is 980.6 secs Computing kpt #: 241 total cpu time spent up to now is 984.3 secs Computing kpt #: 242 total cpu time spent up to now is 988.4 secs Computing kpt #: 243 total cpu time spent up to now is 992.6 secs Computing kpt #: 244 total cpu time spent up to now is 996.4 secs Computing kpt #: 245 total cpu time spent up to now is 1000.3 secs Computing kpt #: 246 total cpu time spent up to now is 1003.5 secs Computing kpt #: 247 total cpu time spent up to now is 1007.5 secs Computing kpt #: 248 total cpu time spent up to now is 1011.6 secs Computing kpt #: 249 total cpu time spent up to now is 1015.6 secs Computing kpt #: 250 total cpu time spent up to now is 1020.5 secs Computing kpt #: 251 total cpu time spent up to now is 1024.7 secs Computing kpt #: 252 total cpu time spent up to now is 1029.1 secs Computing kpt #: 253 total cpu time spent up to now is 1035.3 secs Computing kpt #: 254 total cpu time spent up to now is 1039.3 secs Computing kpt #: 255 total cpu time spent up to now is 1043.5 secs Computing kpt #: 256 total cpu time spent up to now is 1047.8 secs Computing kpt #: 257 total cpu time spent up to now is 1052.2 secs Computing kpt #: 258 total cpu time spent up to now is 1056.2 secs Computing kpt #: 259 total cpu time spent up to now is 1060.4 secs Computing kpt #: 260 total cpu time spent up to now is 1064.4 secs Computing kpt #: 261 total cpu time spent up to now is 1068.6 secs ethr = 1.92E-11, avg # of iterations = 27.1 total cpu time spent up to now is 1068.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 7409 PWs) bands (ev): -6.4611 -6.4611 -4.9373 -4.9373 -4.9341 -4.9341 -4.9313 -4.9313 -0.2450 -0.2450 0.5898 0.5898 1.2396 1.2396 1.7212 1.7212 2.0915 2.0915 2.5022 2.5022 2.6076 2.6076 2.8239 2.8239 2.9164 2.9164 3.0822 3.0822 3.1056 3.1056 3.1560 3.1560 3.8001 3.8001 3.8376 3.8376 3.9254 3.9254 4.1986 4.1986 4.2576 4.2576 4.3319 4.3319 4.4113 4.4113 5.8828 5.8828 6.4162 6.4162 6.4577 6.4577 7.4597 7.4597 7.6683 7.6683 8.0341 8.0341 9.5242 9.5242 9.5342 9.5342 k = 0.0000 0.0000 0.0227 ( 7413 PWs) bands (ev): -6.4602 -6.4602 -4.9380 -4.9371 -4.9353 -4.9343 -4.9320 -4.9320 -0.2451 -0.2432 0.5844 0.5955 1.2347 1.2446 1.7200 1.7207 2.0884 2.0922 2.5012 2.5058 2.6058 2.6144 2.8198 2.8272 2.9151 2.9166 3.0807 3.0816 3.1024 3.1082 3.1496 3.1632 3.7929 3.8085 3.8363 3.8403 3.9235 3.9280 4.1879 4.2039 4.2543 4.2642 4.3268 4.3379 4.4106 4.4137 5.8768 5.8800 6.4045 6.4070 6.4512 6.4541 7.4738 7.4754 7.6728 7.6744 8.0338 8.0450 9.5214 9.5259 9.5302 9.5369 k = 0.0000 0.0000 0.0455 ( 7425 PWs) bands (ev): -6.4573 -6.4573 -4.9399 -4.9380 -4.9375 -4.9356 -4.9340 -4.9336 -0.2433 -0.2396 0.5792 0.6014 1.2299 1.2493 1.7172 1.7186 2.0833 2.0905 2.5031 2.5108 2.6083 2.6261 2.8152 2.8300 2.9125 2.9157 3.0772 3.0783 3.0986 3.1103 3.1446 3.1711 3.7878 3.8163 3.8381 3.8439 3.9224 3.9314 4.1745 4.2027 4.2512 4.2755 4.3223 4.3448 4.4116 4.4184 5.8611 5.8684 6.3693 6.3768 6.4394 6.4442 7.5146 7.5186 7.6867 7.6905 8.0446 8.0674 9.5172 9.5256 9.5263 9.5383 k = 0.0000 0.0000 0.0682 ( 7425 PWs) bands (ev): -6.4526 -6.4525 -4.9436 -4.9422 -4.9401 -4.9393 -4.9354 -4.9342 -0.2399 -0.2342 0.5743 0.6072 1.2249 1.2533 1.7139 1.7157 2.0771 2.0870 2.5070 2.5153 2.6146 2.6422 2.8107 2.8329 2.9084 2.9139 3.0721 3.0724 3.0940 3.1120 3.1422 3.1800 3.7853 3.8207 3.8453 3.8483 3.9223 3.9356 4.1601 4.1968 4.2462 4.2895 4.3184 4.3527 4.4146 4.4260 5.8343 5.8477 6.3141 6.3304 6.4256 6.4315 7.5749 7.5828 7.7079 7.7149 8.0678 8.1028 9.5111 9.5215 9.5255 9.5382 k = 0.0000 0.0000 0.0909 ( 7407 PWs) bands (ev): -6.4459 -6.4459 -4.9491 -4.9480 -4.9454 -4.9450 -4.9356 -4.9342 -0.2348 -0.2271 0.5694 0.6127 1.2195 1.2560 1.7113 1.7131 2.0709 2.0825 2.5109 2.5164 2.6240 2.6618 2.8074 2.8365 2.9026 2.9109 3.0641 3.0656 3.0886 3.1137 3.1430 3.1902 3.7855 3.8222 3.8535 3.8572 3.9232 3.9406 4.1456 4.1882 4.2389 4.3003 4.3188 4.3615 4.4206 4.4372 5.7952 5.8169 6.2476 6.2767 6.4096 6.4157 7.6475 7.6606 7.7339 7.7445 8.1054 8.1530 9.5031 9.5183 9.5238 9.5368 k = 0.0000 0.0000 0.1136 ( 7397 PWs) bands (ev): -6.4374 -6.4373 -4.9563 -4.9553 -4.9526 -4.9522 -4.9355 -4.9340 -0.2283 -0.2185 0.5642 0.6173 1.2134 1.2564 1.7111 1.7121 2.0658 2.0782 2.5110 2.5120 2.6363 2.6838 2.8069 2.8415 2.8945 2.9065 3.0543 3.0583 3.0829 3.1156 3.1470 3.2017 3.7884 3.8226 3.8593 3.8714 3.9252 3.9465 4.1316 4.1784 4.2292 4.2985 4.3315 4.3717 4.4303 4.4518 5.7427 5.7746 6.1775 6.2227 6.3912 6.3966 7.7258 7.7444 7.7634 7.7764 8.1598 8.2195 9.4932 9.5162 9.5213 9.5341 k = 0.0000 0.0000 0.1364 ( 7387 PWs) bands (ev): -6.4270 -6.4269 -4.9650 -4.9641 -4.9613 -4.9609 -4.9354 -4.9338 -0.2204 -0.2084 0.5586 0.6207 1.2062 1.2537 1.7138 1.7149 2.0629 2.0751 2.4964 2.5075 2.6515 2.7070 2.8107 2.8485 2.8839 2.9003 3.0439 3.0510 3.0775 3.1182 3.1539 3.2145 3.7941 3.8229 3.8658 3.8864 3.9285 3.9531 4.1182 4.1679 4.2181 4.2910 4.3488 4.3835 4.4441 4.4695 5.6778 5.7204 6.1088 6.1718 6.3707 6.3745 7.7877 7.7980 7.8154 7.8363 8.2321 8.3027 9.4815 9.5153 9.5182 9.5301 k = 0.0000 0.0000 0.1591 ( 7389 PWs) bands (ev): -6.4147 -6.4147 -4.9752 -4.9742 -4.9714 -4.9710 -4.9353 -4.9336 -0.2114 -0.1971 0.5521 0.6222 1.1979 1.2474 1.7193 1.7240 2.0631 2.0743 2.4711 2.4952 2.6694 2.7301 2.8192 2.8573 2.8708 2.8923 3.0338 3.0442 3.0733 3.1218 3.1634 3.2284 3.8022 3.8233 3.8732 3.9018 3.9334 3.9605 4.1056 4.1571 4.2064 4.2818 4.3670 4.3973 4.4621 4.4897 5.6027 5.6546 6.0443 6.1245 6.3488 6.3502 7.8150 7.8320 7.8891 7.9237 8.3221 8.4020 9.4683 9.5141 9.5158 9.5255 k = 0.0000 0.0000 0.1818 ( 7397 PWs) bands (ev): -6.4007 -6.4006 -4.9867 -4.9857 -4.9828 -4.9823 -4.9354 -4.9335 -0.2014 -0.1846 0.5445 0.6215 1.1884 1.2372 1.7293 1.7394 2.0673 2.0765 2.4353 2.4746 2.6893 2.7520 2.8309 2.8539 2.8687 2.8828 3.0244 3.0388 3.0709 3.1265 3.1755 3.2432 3.8122 3.8239 3.8815 3.9166 3.9402 3.9687 4.0940 4.1465 4.1952 4.2719 4.3858 4.4134 4.4839 4.5121 5.5207 5.5797 5.9839 6.0794 6.3246 6.3260 7.8411 7.8588 7.9644 8.0085 8.4280 8.5160 9.4536 9.5078 9.5178 9.5212 k = 0.0000 0.0000 0.2045 ( 7393 PWs) bands (ev): -6.3848 -6.3848 -4.9993 -4.9983 -4.9954 -4.9948 -4.9356 -4.9336 -0.1906 -0.1714 0.5355 0.6180 1.1779 1.2234 1.7443 1.7612 2.0759 2.0823 2.3904 2.4463 2.7100 2.7716 2.8350 2.8418 2.8744 2.8802 3.0163 3.0351 3.0706 3.1326 3.1901 3.2586 3.8236 3.8246 3.8913 3.9300 3.9497 3.9778 4.0834 4.1363 4.1856 4.2622 4.4054 4.4320 4.5088 4.5363 5.4350 5.4986 5.9265 6.0346 6.2984 6.3028 7.8666 7.8839 8.0352 8.0885 8.5472 8.6428 9.4378 9.4984 9.5185 9.5215 k = 0.0000 0.0000 0.2273 ( 7397 PWs) bands (ev): -6.3672 -6.3671 -5.0131 -5.0120 -5.0090 -5.0084 -4.9361 -4.9340 -0.1793 -0.1575 0.5249 0.6114 1.1669 1.2065 1.7642 1.7892 2.0893 2.0921 2.3386 2.4116 2.7300 2.7874 2.8136 2.8414 2.8767 2.8922 3.0099 3.0333 3.0728 3.1401 3.2069 3.2740 3.8254 3.8356 3.9028 3.9412 3.9619 3.9876 4.0742 4.1266 4.1787 4.2531 4.4261 4.4530 4.5362 4.5619 5.3484 5.4146 5.8707 5.9884 6.2725 6.2794 7.8920 7.9082 8.1004 8.1627 8.6770 8.7800 9.4216 9.4861 9.5171 9.5269 k = 0.0000 0.0000 0.2500 ( 7405 PWs) bands (ev): -6.3478 -6.3477 -5.0278 -5.0267 -5.0236 -5.0228 -4.9369 -4.9347 -0.1678 -0.1433 0.5125 0.6015 1.1560 1.1875 1.7886 1.8224 2.1058 2.1068 2.2822 2.3722 2.7463 2.7923 2.7956 2.8318 2.8891 2.9040 3.0055 3.0335 3.0774 3.1490 3.2258 3.2891 3.8264 3.8474 3.9164 3.9505 3.9761 3.9979 4.0664 4.1178 4.1754 4.2453 4.4483 4.4766 4.5655 4.5888 5.2633 5.3304 5.8152 5.9398 6.2475 6.2563 7.9175 7.9324 8.1594 8.2304 8.8137 8.9253 9.4064 9.4716 9.5168 9.5340 k = 0.0000 0.0000 0.2727 ( 7405 PWs) bands (ev): -6.3267 -6.3267 -5.0433 -5.0422 -5.0389 -5.0381 -4.9381 -4.9358 -0.1562 -0.1290 0.4982 0.5884 1.1456 1.1671 1.8171 1.8599 2.1231 2.1257 2.2258 2.3297 2.7452 2.7843 2.7878 2.8292 2.9032 2.9156 3.0034 3.0354 3.0841 3.1591 3.2464 3.3034 3.8275 3.8583 3.9320 3.9578 3.9917 4.0085 4.0603 4.1100 4.1767 4.2394 4.4721 4.5026 4.5959 4.6164 5.1814 5.2481 5.7599 5.8884 6.2235 6.2335 7.9436 7.9569 8.2123 8.2913 8.9515 9.0748 9.3957 9.4564 9.5175 9.5427 k = 0.0000 0.0000 0.2954 ( 7405 PWs) bands (ev): -6.3040 -6.3039 -5.0596 -5.0584 -5.0549 -5.0541 -4.9399 -4.9374 -0.1448 -0.1150 0.4820 0.5721 1.1364 1.1461 1.8485 1.9001 2.1242 2.1432 2.1926 2.2866 2.7221 2.7672 2.7948 2.8329 2.9161 2.9268 3.0034 3.0390 3.0927 3.1702 3.2683 3.3165 3.8287 3.8680 3.9490 3.9625 4.0087 4.0189 4.0560 4.1037 4.1832 4.2364 4.4976 4.5308 4.6269 4.6444 5.1043 5.1694 5.7047 5.8344 6.2007 6.2110 7.9704 7.9820 8.2591 8.3453 9.0781 9.2194 9.3999 9.4470 9.5194 9.5530 k = 0.0000 0.0000 0.3182 ( 7401 PWs) bands (ev): -6.2796 -6.2796 -5.0764 -5.0752 -5.0714 -5.0705 -4.9422 -4.9397 -0.1339 -0.1015 0.4641 0.5529 1.1251 1.1288 1.8813 1.9408 2.0751 2.1630 2.2107 2.2470 2.6940 2.7422 2.8076 2.8364 2.9274 2.9377 3.0052 3.0440 3.1027 3.1819 3.2911 3.3279 3.8300 3.8767 3.9644 3.9664 4.0272 4.0284 4.0534 4.0993 4.1952 4.2373 4.5249 4.5609 4.6577 4.6720 5.0333 5.0954 5.6503 5.7785 6.1788 6.1888 7.9980 8.0077 8.3001 8.3926 9.1649 9.3189 9.4448 9.4775 9.5253 9.5648 k = 0.0000 0.0000 0.3409 ( 7401 PWs) bands (ev): -6.2537 -6.2537 -5.0937 -5.0924 -5.0883 -5.0874 -4.9453 -4.9427 -0.1236 -0.0888 0.4446 0.5312 1.1047 1.1232 1.9128 1.9784 2.0150 2.1688 2.2267 2.2454 2.6666 2.7161 2.8190 2.8380 2.9368 2.9483 3.0083 3.0503 3.1137 3.1939 3.3142 3.3375 3.8315 3.8845 3.9638 3.9829 4.0360 4.0446 4.0549 4.0973 4.2125 4.2434 4.5538 4.5926 4.6875 4.6983 4.9701 5.0272 5.5977 5.7217 6.1577 6.1668 8.0266 8.0343 8.3356 8.4333 9.1917 9.3282 9.5183 9.5441 9.5814 9.6054 k = 0.0000 0.0000 0.3636 ( 7405 PWs) bands (ev): -6.2263 -6.2262 -5.1112 -5.1100 -5.1055 -5.1046 -4.9492 -4.9465 -0.1142 -0.0771 0.4237 0.5073 1.0853 1.1199 1.9272 1.9689 2.0067 2.1474 2.2425 2.2859 2.6433 2.6914 2.8283 2.8379 2.9446 2.9584 3.0123 3.0579 3.1252 3.2058 3.3371 3.3450 3.8330 3.8916 3.9612 3.9973 4.0410 4.0486 4.0724 4.0978 4.2348 4.2562 4.5841 4.6252 4.7153 4.7212 4.9169 4.9656 5.5482 5.6651 6.1372 6.1449 8.0560 8.0615 8.3657 8.4676 9.1821 9.3024 9.5240 9.5875 9.6839 9.7294 k = 0.0000 0.0000 0.3863 ( 7413 PWs) bands (ev): -6.1974 -6.1974 -5.1290 -5.1277 -5.1228 -5.1219 -4.9540 -4.9512 -0.1059 -0.0668 0.4015 0.4818 1.0671 1.1192 1.8807 1.9803 2.0163 2.1257 2.2736 2.3299 2.6276 2.6707 2.8357 2.8361 2.9510 2.9678 3.0165 3.0667 3.1368 3.2173 3.3503 3.3593 3.8348 3.8983 3.9575 4.0086 4.0441 4.0490 4.0950 4.0996 4.2615 4.2768 4.6154 4.6579 4.7373 4.7400 4.8775 4.9113 5.5034 5.6102 6.1170 6.1230 8.0862 8.0892 8.3906 8.4956 9.1569 9.2652 9.5288 9.6028 9.7373 9.7843 k = 0.0000 0.0000 0.4091 ( 7409 PWs) bands (ev): -6.1671 -6.1671 -5.1468 -5.1455 -5.1401 -5.1392 -4.9597 -4.9569 -0.0986 -0.0578 0.3784 0.4549 1.0502 1.1209 1.8237 1.9971 2.0046 2.1106 2.3130 2.3766 2.6225 2.6566 2.8329 2.8412 2.9563 2.9762 3.0207 3.0768 3.1482 3.2283 3.3535 3.3803 3.8367 3.9047 3.9533 4.0161 4.0464 4.0499 4.1020 4.1182 4.2923 4.3051 4.6474 4.6887 4.7429 4.7603 4.8571 4.8650 5.4652 5.5587 6.0970 6.1011 8.1170 8.1172 8.4104 8.5173 9.1233 9.2210 9.5342 9.6182 9.7175 9.7631 k = 0.0000 0.0000 0.4318 ( 7401 PWs) bands (ev): -6.1356 -6.1355 -5.1645 -5.1633 -5.1573 -5.1564 -4.9666 -4.9638 -0.0925 -0.0504 0.3546 0.4272 1.0346 1.1249 1.7693 1.9818 2.0042 2.0913 2.3594 2.4253 2.6293 2.6518 2.8284 2.8452 2.9606 2.9836 3.0246 3.0879 3.1592 3.2387 3.3546 3.3995 3.8387 3.9109 3.9487 4.0200 4.0490 4.0513 4.1041 4.1408 4.3270 4.3406 4.6792 4.7083 4.7472 4.7747 4.8277 4.8548 5.4353 5.5125 6.0771 6.0792 8.1451 8.1483 8.4250 8.5325 9.0839 9.1708 9.5403 9.6343 9.6963 9.7301 k = 0.0000 0.0000 0.4545 ( 7413 PWs) bands (ev): -6.1027 -6.1027 -5.1821 -5.1809 -5.1743 -5.1734 -4.9748 -4.9719 -0.0875 -0.0445 0.3304 0.3990 1.0204 1.1306 1.7199 1.9573 1.9987 2.0610 2.4112 2.4754 2.6468 2.6575 2.8227 2.8477 2.9642 2.9899 3.0280 3.0998 3.1695 3.2482 3.3539 3.4163 3.8408 3.9170 3.9441 4.0214 4.0514 4.0534 4.1058 4.1617 4.3654 4.3824 4.7068 4.7088 4.7686 4.7796 4.8040 4.8608 5.4150 5.4738 6.0573 6.0573 8.1722 8.1794 8.4341 8.5411 9.0398 9.1155 9.5465 9.6513 9.6753 9.6949 k = 0.0000 0.0000 0.4773 ( 7405 PWs) bands (ev): -6.0688 -6.0688 -5.1993 -5.1982 -5.1909 -5.1901 -4.9842 -4.9813 -0.0836 -0.0400 0.3058 0.3705 1.0073 1.1374 1.6769 1.9351 1.9802 2.0204 2.4663 2.5264 2.6723 2.6732 2.8160 2.8488 2.9672 2.9952 3.0307 3.1120 3.1793 3.2569 3.3517 3.4302 3.8430 3.9234 3.9396 4.0216 4.0536 4.0561 4.1072 4.1800 4.4075 4.4298 4.7029 4.7286 4.7752 4.7944 4.8012 4.8684 5.4051 5.4444 6.0354 6.0375 8.1976 8.2099 8.4374 8.5427 8.9919 9.0557 9.5508 9.6543 9.6566 9.6731 k = 0.0000 0.0000 0.5000 ( 7417 PWs) bands (ev): -6.0337 -6.0337 -5.2163 -5.2152 -5.2071 -5.2063 -4.9950 -4.9922 -0.0808 -0.0369 0.2813 0.3422 0.9954 1.1442 1.6417 1.9152 1.9501 1.9738 2.5227 2.5777 2.6966 2.7026 2.8085 2.8486 2.9697 2.9996 3.0327 3.1240 3.1882 3.2644 3.3485 3.4404 3.8452 3.9302 3.9353 4.0212 4.0555 4.0596 4.1086 4.1952 4.4529 4.4820 4.7055 4.7241 4.7878 4.8073 4.8144 4.8778 5.4051 5.4257 6.0135 6.0177 8.2199 8.2386 8.4347 8.5369 8.9416 8.9926 9.5491 9.6163 9.6448 9.6921 k = 0.0000 0.0000 0.5227 ( 7417 PWs) bands (ev): -5.9977 -5.9977 -5.2327 -5.2317 -5.2227 -5.2220 -5.0073 -5.0045 -0.0787 -0.0349 0.2569 0.3141 0.9846 1.1497 1.6161 1.8885 1.9106 1.9339 2.5789 2.6288 2.7236 2.7349 2.8014 2.8471 2.9719 3.0034 3.0340 3.1354 3.1965 3.2706 3.3448 3.4464 3.8474 3.9311 3.9376 4.0205 4.0574 4.0637 4.1104 4.2073 4.5017 4.5384 4.7085 4.7158 4.8030 4.8229 4.8251 4.8934 5.4138 5.4181 5.9919 5.9980 8.2369 8.2638 8.4255 8.5233 8.8907 8.9279 9.5365 9.5755 9.6452 9.7145 k = 0.0000 0.0000 0.5454 ( 7425 PWs) bands (ev): -5.9608 -5.9607 -5.2486 -5.2477 -5.2377 -5.2371 -5.0211 -5.0183 -0.0773 -0.0339 0.2328 0.2866 0.9749 1.1526 1.6012 1.8390 1.8643 1.9191 2.6339 2.6787 2.7457 2.7670 2.8006 2.8443 2.9737 3.0067 3.0345 3.1455 3.2039 3.2751 3.3413 3.4478 3.8496 3.9270 3.9456 4.0195 4.0594 4.0685 4.1134 4.2170 4.5534 4.5980 4.6913 4.7298 4.8160 4.8243 4.8511 4.9153 5.4206 5.4296 5.9707 5.9784 8.2456 8.2826 8.4095 8.5020 8.8421 8.8645 9.5141 9.5338 9.6571 9.7392 k = 0.0000 0.0000 0.5682 ( 7429 PWs) bands (ev): -5.9232 -5.9230 -5.2639 -5.2630 -5.2520 -5.2514 -5.0364 -5.0338 -0.0763 -0.0335 0.2092 0.2597 0.9663 1.1523 1.5980 1.7788 1.8133 1.9192 2.6866 2.7232 2.7521 2.7958 2.8177 2.8413 2.9754 3.0097 3.0343 3.1540 3.2106 3.2775 3.3389 3.4446 3.8516 3.9231 3.9542 4.0182 4.0613 4.0739 4.1184 4.2251 4.6073 4.6533 4.6816 4.7378 4.8330 4.8334 4.8780 4.9398 5.4316 5.4505 5.9500 5.9591 8.2420 8.2904 8.3859 8.4730 8.7999 8.8066 9.4859 9.4920 9.6769 9.7661 k = 0.0000 0.0000 0.5909 ( 7427 PWs) bands (ev): -5.8848 -5.8847 -5.2784 -5.2777 -5.2654 -5.2649 -5.0534 -5.0509 -0.0754 -0.0335 0.1862 0.2336 0.9590 1.1487 1.6063 1.7154 1.7594 1.9279 2.7287 2.7360 2.7799 2.8129 2.8452 2.8466 2.9769 3.0128 3.0337 3.1605 3.2166 3.2779 3.3379 3.4371 3.8535 3.9191 3.9631 4.0169 4.0629 4.0801 4.1260 4.2325 4.6524 4.6621 4.7315 4.7319 4.8563 4.8603 4.9048 4.9655 5.4489 5.4751 5.9301 5.9400 8.2231 8.2813 8.3530 8.4365 8.7607 8.7692 9.4509 9.4549 9.7019 9.7953 k = 0.0000 0.0000 0.6136 ( 7419 PWs) bands (ev): -5.8460 -5.8458 -5.2923 -5.2916 -5.2779 -5.2774 -5.0720 -5.0696 -0.0746 -0.0337 0.1639 0.2085 0.9534 1.1425 1.6246 1.6512 1.7047 1.9435 2.7095 2.7804 2.8105 2.8224 2.8636 2.8775 2.9784 3.0162 3.0329 3.1649 3.2219 3.2768 3.3382 3.4258 3.8553 3.9153 3.9717 4.0156 4.0642 4.0869 4.1359 4.2397 4.6404 4.7110 4.7223 4.7952 4.8844 4.9023 4.9325 4.9929 5.4708 5.5021 5.9111 5.9213 8.1882 8.2510 8.3086 8.3909 8.7332 8.7534 9.4112 9.4226 9.7310 9.8265 k = 0.0000 0.0000 0.6363 ( 7423 PWs) bands (ev): -5.8067 -5.8065 -5.3054 -5.3048 -5.2894 -5.2890 -5.0922 -5.0899 -0.0734 -0.0337 0.1424 0.1845 0.9496 1.1352 1.5873 1.6375 1.6644 1.9654 2.6837 2.7926 2.8256 2.8630 2.8849 2.9068 2.9799 3.0203 3.0321 3.1674 3.2265 3.2750 3.3390 3.4118 3.8570 3.9113 3.9795 4.0143 4.0655 4.0945 4.1468 4.2467 4.6322 4.7004 4.7668 4.8521 4.9202 4.9530 4.9636 5.0240 5.4955 5.5305 5.8934 5.9029 8.1390 8.2007 8.2519 8.3343 8.7266 8.7531 9.3732 9.3899 9.7632 9.8594 k = 0.0000 0.0000 0.6591 ( 7431 PWs) bands (ev): -5.7672 -5.7669 -5.3177 -5.3172 -5.2998 -5.2995 -5.1140 -5.1119 -0.0719 -0.0334 0.1218 0.1615 0.9480 1.1281 1.5244 1.5892 1.6934 1.9930 2.6527 2.7743 2.8596 2.9000 2.9043 2.9329 2.9818 3.0260 3.0322 3.1685 3.2306 3.2735 3.3396 3.3959 3.8585 3.9072 3.9861 4.0133 4.0674 4.1028 4.1571 4.2528 4.6296 4.6871 4.8082 4.8887 4.9716 5.0005 5.0087 5.0617 5.5219 5.5597 5.8772 5.8850 8.0788 8.1359 8.1845 8.2672 8.7375 8.7655 9.3373 9.3571 9.7978 9.8937 k = 0.0000 0.0000 0.6818 ( 7427 PWs) bands (ev): -5.7277 -5.7272 -5.3293 -5.3288 -5.3091 -5.3088 -5.1372 -5.1352 -0.0697 -0.0325 0.1021 0.1398 0.9490 1.1223 1.4632 1.5354 1.7354 2.0257 2.6167 2.7498 2.8879 2.9211 2.9323 2.9548 2.9848 3.0339 3.0342 3.1686 3.2342 3.2727 3.3396 3.3791 3.8600 3.9033 3.9914 4.0125 4.0704 4.1117 4.1655 4.2572 4.6336 4.6784 4.8384 4.9065 5.0336 5.0439 5.0674 5.1078 5.5491 5.5892 5.8626 5.8676 8.0113 8.0627 8.1096 8.1922 8.7601 8.7871 9.3033 9.3246 9.8342 9.9287 k = 0.0000 0.0000 0.7045 ( 7427 PWs) bands (ev): -5.6881 -5.6877 -5.3402 -5.3398 -5.3171 -5.3169 -5.1618 -5.1599 -0.0667 -0.0308 0.0834 0.1192 0.9528 1.1190 1.4042 1.4830 1.7830 2.0629 2.5759 2.7199 2.9092 2.9350 2.9567 2.9714 2.9916 3.0386 3.0455 3.1683 3.2374 3.2728 3.3384 3.3623 3.8616 3.8993 3.9952 4.0119 4.0747 4.1214 4.1707 4.2592 4.6442 4.6758 4.8566 4.9136 5.0874 5.1009 5.1278 5.1609 5.5765 5.6186 5.8500 5.8505 7.9401 7.9864 8.0305 8.1127 8.7902 8.8148 9.2710 9.2921 9.8715 9.9638 k = 0.0000 0.0000 0.7272 ( 7429 PWs) bands (ev): -5.6489 -5.6483 -5.3505 -5.3503 -5.3237 -5.3235 -5.1874 -5.1858 -0.0629 -0.0282 0.0656 0.0999 0.9599 1.1187 1.3478 1.4328 1.8348 2.1040 2.5306 2.6849 2.9244 2.9456 2.9696 2.9809 3.0072 3.0464 3.0597 3.1677 3.2405 3.2738 3.3360 3.3458 3.8632 3.8954 3.9978 4.0113 4.0805 4.1317 4.1725 4.2581 4.6608 4.6795 4.8642 4.9137 5.1358 5.1620 5.1886 5.2173 5.6034 5.6478 5.8338 5.8393 7.8690 7.9115 7.9506 8.0317 8.8246 8.8463 9.2400 9.2597 9.9089 9.9981 k = 0.0000 0.0000 0.7500 ( 7430 PWs) bands (ev): -5.6102 -5.6095 -5.3606 -5.3606 -5.3287 -5.3287 -5.2136 -5.2123 -0.0582 -0.0245 0.0489 0.0819 0.9705 1.1220 1.2945 1.3853 1.8899 2.1486 2.4810 2.6452 2.9352 2.9527 2.9749 2.9849 3.0272 3.0562 3.0760 3.1667 3.2436 3.2760 3.3302 3.3324 3.8649 3.8917 3.9996 4.0105 4.0876 4.1425 4.1709 4.2539 4.6823 4.6891 4.8634 4.9080 5.1830 5.2172 5.2475 5.2728 5.6294 5.6763 5.8174 5.8305 7.8015 7.8420 7.8731 7.9524 8.8616 8.8801 9.2097 9.2270 9.9454 10.0307 k = 0.0000 0.0000 0.7727 ( 7438 PWs) bands (ev): -5.5723 -5.5715 -5.3711 -5.3710 -5.3321 -5.3321 -5.2400 -5.2389 -0.0524 -0.0198 0.0333 0.0653 0.9847 1.1293 1.2444 1.3410 1.9476 2.1959 2.4279 2.6015 2.9431 2.9570 2.9776 2.9863 3.0457 3.0662 3.0925 3.1650 3.2471 3.2792 3.3157 3.3277 3.8667 3.8882 4.0009 4.0097 4.0957 4.1539 4.1666 4.2469 4.7038 4.7073 4.8561 4.8973 5.2273 5.2637 5.3019 5.3238 5.6542 5.7038 5.8013 5.8232 7.7412 7.7818 7.8014 7.8779 8.8999 8.9151 9.1796 9.1939 9.9801 10.0608 k = 0.0000 0.0000 0.7954 ( 7432 PWs) bands (ev): -5.5356 -5.5348 -5.3829 -5.3825 -5.3336 -5.3335 -5.2654 -5.2646 -0.0455 -0.0138 0.0188 0.0499 1.0029 1.1408 1.1980 1.3002 2.0072 2.2455 2.3717 2.5545 2.9488 2.9593 2.9794 2.9862 3.0610 3.0747 3.1082 3.1623 3.2512 3.2835 3.3023 3.3220 3.8688 3.8848 4.0021 4.0086 4.1046 4.1601 4.1657 4.2377 4.7223 4.7344 4.8438 4.8823 5.2664 5.2996 5.3491 5.3669 5.6774 5.7296 5.7853 5.8167 7.6918 7.7344 7.7389 7.8116 8.9387 8.9504 9.1493 9.1601 10.0121 10.0874 k = 0.0000 0.0000 0.8181 ( 7434 PWs) bands (ev): -5.5007 -5.4997 -5.3972 -5.3966 -5.3326 -5.3325 -5.2883 -5.2878 -0.0376 -0.0065 0.0053 0.0359 1.0251 1.1553 1.1566 1.2632 2.0682 2.2967 2.3132 2.5050 2.9531 2.9601 2.9808 2.9855 3.0726 3.0809 3.1223 3.1581 3.2563 3.2889 3.2903 3.3156 3.8710 3.8817 4.0031 4.0075 4.1140 4.1521 4.1779 4.2270 4.7432 4.7624 4.8276 4.8635 5.2984 5.3236 5.3863 5.3992 5.6988 5.7529 5.7693 5.8098 7.6563 7.6887 7.7025 7.7568 8.9775 8.9856 9.1184 9.1255 10.0406 10.1097 k = 0.0000 0.0000 0.8409 ( 7432 PWs) bands (ev): -5.4683 -5.4673 -5.4158 -5.4150 -5.3285 -5.3284 -5.3070 -5.3068 -0.0285 -0.0071 0.0021 0.0233 1.0515 1.1166 1.1768 1.2301 2.1298 2.2529 2.3489 2.4537 2.9563 2.9597 2.9821 2.9845 3.0803 3.0841 3.1343 3.1522 3.2626 3.2796 3.2951 3.3088 3.8734 3.8787 4.0042 4.0064 4.1237 4.1430 4.1903 4.2152 4.7653 4.7901 4.8085 4.8414 5.3214 5.3349 5.4113 5.4181 5.7183 5.7531 5.7729 5.8009 7.6374 7.6539 7.6884 7.7165 9.0158 9.0202 9.0867 9.0899 10.0651 10.1011 k = 0.0000 0.0000 0.8636 ( 7446 PWs) bands (ev): -5.4396 -5.4396 -5.4387 -5.4387 -5.3203 -5.3203 -5.3203 -5.3203 -0.0184 -0.0184 0.0120 0.0120 1.0820 1.0820 1.2013 1.2013 2.1916 2.1916 2.4014 2.4014 2.9584 2.9584 2.9833 2.9833 3.0840 3.0840 3.1443 3.1443 3.2704 3.2704 3.3018 3.3018 3.8759 3.8759 4.0053 4.0053 4.1334 4.1334 4.2028 4.2028 4.7874 4.7874 4.8167 4.8167 5.3340 5.3340 5.4222 5.4222 5.7363 5.7363 5.7888 5.7888 7.6364 7.6364 7.6932 7.6932 9.0533 9.0533 9.0539 9.0539 10.0853 10.0853 k = 0.0000 0.0000 0.8636 ( 7446 PWs) bands (ev): -5.4396 -5.4396 -5.4387 -5.4387 -5.3203 -5.3203 -5.3203 -5.3203 -0.0184 -0.0184 0.0120 0.0120 1.0820 1.0820 1.2013 1.2013 2.1916 2.1916 2.4014 2.4014 2.9584 2.9584 2.9833 2.9833 3.0840 3.0840 3.1443 3.1443 3.2704 3.2704 3.3018 3.3018 3.8759 3.8759 4.0053 4.0053 4.1334 4.1334 4.2028 4.2028 4.7874 4.7874 4.8167 4.8167 5.3340 5.3340 5.4222 5.4222 5.7363 5.7363 5.7888 5.7888 7.6364 7.6364 7.6932 7.6932 9.0533 9.0533 9.0539 9.0539 10.0853 10.0853 k =-0.0126 0.0178 0.8636 ( 7432 PWs) bands (ev): -5.4395 -5.4395 -5.4385 -5.4385 -5.3207 -5.3207 -5.3206 -5.3206 -0.0165 -0.0165 0.0141 0.0141 1.0822 1.0822 1.2013 1.2013 2.1923 2.1923 2.4020 2.4020 2.9579 2.9579 2.9830 2.9830 3.0833 3.0833 3.1439 3.1439 3.2705 3.2705 3.3015 3.3015 3.8758 3.8758 4.0052 4.0052 4.1331 4.1331 4.2024 4.2024 4.7858 4.7858 4.8149 4.8149 5.3331 5.3331 5.4214 5.4214 5.7327 5.7327 5.7853 5.7853 7.6395 7.6395 7.6965 7.6965 9.0548 9.0548 9.0688 9.0688 10.0798 10.0798 k =-0.0252 0.0355 0.8636 ( 7432 PWs) bands (ev): -5.4390 -5.4390 -5.4380 -5.4380 -5.3220 -5.3220 -5.3218 -5.3218 -0.0108 -0.0108 0.0202 0.0202 1.0830 1.0830 1.2012 1.2012 2.1944 2.1944 2.4036 2.4036 2.9564 2.9564 2.9817 2.9817 3.0809 3.0809 3.1427 3.1427 3.2708 3.2708 3.3004 3.3004 3.8754 3.8754 4.0048 4.0048 4.1319 4.1319 4.2009 4.2009 4.7811 4.7811 4.8095 4.8095 5.3306 5.3306 5.4190 5.4190 5.7220 5.7220 5.7750 5.7750 7.6488 7.6488 7.7065 7.7065 9.0721 9.0721 9.1001 9.1001 10.0635 10.0635 k =-0.0378 0.0533 0.8636 ( 7436 PWs) bands (ev): -5.4384 -5.4384 -5.4374 -5.4374 -5.3239 -5.3239 -5.3235 -5.3235 -0.0015 -0.0015 0.0302 0.0302 1.0844 1.0844 1.2010 1.2010 2.1980 2.1980 2.4062 2.4062 2.9539 2.9539 2.9797 2.9797 3.0770 3.0770 3.1408 3.1408 3.2711 3.2711 3.2986 3.2986 3.8748 3.8748 4.0042 4.0042 4.1300 4.1300 4.1984 4.1984 4.7733 4.7733 4.8007 4.8007 5.3265 5.3265 5.4150 5.4150 5.7049 5.7049 5.7583 5.7583 7.6641 7.6641 7.7229 7.7229 9.1047 9.1047 9.1463 9.1463 10.0372 10.0372 k =-0.0504 0.0710 0.8636 ( 7448 PWs) bands (ev): -5.4379 -5.4379 -5.4369 -5.4369 -5.3261 -5.3261 -5.3256 -5.3256 0.0114 0.0114 0.0441 0.0441 1.0864 1.0864 1.2009 1.2009 2.2029 2.2029 2.4098 2.4098 2.9503 2.9503 2.9769 2.9769 3.0717 3.0717 3.1382 3.1382 3.2714 3.2714 3.2961 3.2961 3.8740 3.8740 4.0033 4.0033 4.1273 4.1273 4.1950 4.1950 4.7625 4.7625 4.7887 4.7887 5.3207 5.3207 5.4094 5.4094 5.6823 5.6823 5.7362 5.7362 7.6852 7.6852 7.7455 7.7455 9.1508 9.1508 9.2060 9.2060 10.0015 10.0015 k =-0.0630 0.0888 0.8636 ( 7450 PWs) bands (ev): -5.4379 -5.4379 -5.4369 -5.4369 -5.3283 -5.3283 -5.3277 -5.3277 0.0276 0.0276 0.0616 0.0616 1.0889 1.0889 1.2007 1.2007 2.2092 2.2092 2.4145 2.4145 2.9457 2.9457 2.9734 2.9734 3.0650 3.0650 3.1349 3.1349 3.2716 3.2716 3.2931 3.2931 3.8730 3.8730 4.0023 4.0023 4.1241 4.1241 4.1907 4.1907 4.7487 4.7487 4.7739 4.7739 5.3135 5.3135 5.4023 5.4023 5.6551 5.6551 5.7095 5.7095 7.7119 7.7119 7.7740 7.7740 9.2082 9.2082 9.2769 9.2769 9.9574 9.9574 k =-0.0756 0.1065 0.8636 ( 7434 PWs) bands (ev): -5.4388 -5.4388 -5.4379 -5.4379 -5.3298 -5.3298 -5.3291 -5.3291 0.0469 0.0469 0.0825 0.0825 1.0923 1.0923 1.2007 1.2007 2.2169 2.2169 2.4201 2.4201 2.9402 2.9402 2.9691 2.9691 3.0572 3.0572 3.1310 3.1310 3.2712 3.2712 3.2898 3.2898 3.8719 3.8719 4.0010 4.0010 4.1204 4.1204 4.1856 4.1856 4.7322 4.7322 4.7567 4.7567 5.3049 5.3049 5.3936 5.3936 5.6245 5.6245 5.6794 5.6794 7.7437 7.7437 7.8079 7.8080 9.2735 9.2735 9.3557 9.3557 9.9058 9.9058 k =-0.0882 0.1243 0.8636 ( 7436 PWs) bands (ev): -5.4412 -5.4412 -5.4403 -5.4403 -5.3301 -5.3301 -5.3293 -5.3293 0.0689 0.0689 0.1063 0.1063 1.0964 1.0964 1.2007 1.2007 2.2259 2.2259 2.4268 2.4268 2.9336 2.9336 2.9641 2.9641 3.0482 3.0482 3.1264 3.1264 3.2699 3.2699 3.2865 3.2865 3.8707 3.8707 3.9995 3.9995 4.1162 4.1162 4.1798 4.1798 4.7132 4.7132 4.7375 4.7375 5.2950 5.2950 5.3834 5.3834 5.5917 5.5917 5.6471 5.6471 7.7802 7.7802 7.8469 7.8469 9.3420 9.3420 9.4382 9.4382 9.8490 9.8490 k =-0.1008 0.1420 0.8636 ( 7434 PWs) bands (ev): -5.4455 -5.4455 -5.4448 -5.4448 -5.3287 -5.3287 -5.3278 -5.3278 0.0932 0.0932 0.1327 0.1327 1.1015 1.1015 1.2011 1.2011 2.2362 2.2362 2.4344 2.4344 2.9261 2.9261 2.9584 2.9584 3.0384 3.0384 3.1212 3.1212 3.2671 3.2671 3.2836 3.2836 3.8694 3.8694 3.9978 3.9978 4.1117 4.1117 4.1735 4.1735 4.6920 4.6920 4.7167 4.7167 5.2839 5.2839 5.3718 5.3718 5.5577 5.5577 5.6136 5.6136 7.8208 7.8208 7.8901 7.8901 9.4064 9.4064 9.5171 9.5171 9.7913 9.7913 k =-0.1135 0.1598 0.8636 ( 7442 PWs) bands (ev): -5.4521 -5.4521 -5.4514 -5.4514 -5.3252 -5.3252 -5.3242 -5.3242 0.1194 0.1194 0.1613 0.1613 1.1077 1.1077 1.2019 1.2019 2.2477 2.2477 2.4429 2.4429 2.9177 2.9177 2.9521 2.9521 3.0279 3.0279 3.1154 3.1154 3.2627 3.2627 3.2815 3.2815 3.8681 3.8681 3.9958 3.9958 4.1069 4.1069 4.1668 4.1668 4.6691 4.6691 4.6946 4.6946 5.2717 5.2717 5.3587 5.3587 5.5237 5.5237 5.5799 5.5799 7.8651 7.8651 7.9371 7.9371 9.4534 9.4534 9.5777 9.5777 9.7434 9.7434 k =-0.1261 0.1775 0.8636 ( 7442 PWs) bands (ev): -5.4609 -5.4609 -5.4603 -5.4603 -5.3195 -5.3195 -5.3185 -5.3185 0.1469 0.1469 0.1913 0.1913 1.1153 1.1153 1.2033 1.2033 2.2604 2.2604 2.4522 2.4522 2.9085 2.9085 2.9452 2.9452 3.0168 3.0168 3.1090 3.1090 3.2570 3.2570 3.2797 3.2797 3.8668 3.8668 3.9937 3.9937 4.1019 4.1019 4.1599 4.1599 4.6450 4.6450 4.6716 4.6716 5.2585 5.2585 5.3442 5.3442 5.4903 5.4903 5.5467 5.5467 7.9122 7.9122 7.9870 7.9870 9.4616 9.4616 9.5889 9.5889 9.7240 9.7240 k =-0.1261 0.1775 0.8636 ( 7442 PWs) bands (ev): -5.4609 -5.4609 -5.4603 -5.4603 -5.3195 -5.3195 -5.3185 -5.3185 0.1469 0.1469 0.1913 0.1913 1.1153 1.1153 1.2033 1.2033 2.2604 2.2604 2.4522 2.4522 2.9085 2.9085 2.9452 2.9452 3.0168 3.0168 3.1090 3.1090 3.2570 3.2570 3.2797 3.2797 3.8668 3.8668 3.9937 3.9937 4.1019 4.1019 4.1599 4.1599 4.6450 4.6450 4.6716 4.6716 5.2585 5.2585 5.3442 5.3442 5.4903 5.4903 5.5467 5.5467 7.9122 7.9122 7.9870 7.9870 9.4616 9.4616 9.5889 9.5889 9.7240 9.7240 k =-0.1354 0.1907 0.8475 ( 7438 PWs) bands (ev): -5.4728 -5.4726 -5.4649 -5.4649 -5.3344 -5.3337 -5.2928 -5.2918 0.1575 0.1783 0.2047 0.2244 1.1058 1.1401 1.1917 1.2208 2.2285 2.3118 2.4246 2.4946 2.8982 2.9033 2.9361 2.9433 3.0015 3.0133 3.0959 3.1120 3.2479 3.2560 3.2764 3.2812 3.8649 3.8671 3.9909 3.9930 4.0908 4.1026 4.1491 4.1637 4.6167 4.6248 4.6520 4.6664 5.2397 5.2449 5.3273 5.3349 5.4629 5.4706 5.5177 5.5320 7.9484 7.9554 8.0209 8.0365 9.4127 9.4558 9.5336 9.5814 9.7166 9.7364 k =-0.1448 0.2039 0.8313 ( 7432 PWs) bands (ev): -5.4848 -5.4845 -5.4715 -5.4713 -5.3489 -5.3482 -5.2643 -5.2631 0.1677 0.2110 0.2185 0.2589 1.1010 1.1641 1.1864 1.2399 2.1974 2.3596 2.4005 2.5360 2.8861 2.8969 2.9262 2.9411 2.9838 3.0076 3.0823 3.1159 3.2369 3.2555 3.2729 3.2828 3.8631 3.8673 3.9878 3.9923 4.0778 4.0991 4.1441 4.1690 4.5866 4.5934 4.6427 4.6598 5.2092 5.2184 5.3060 5.3213 5.4414 5.4504 5.4969 5.5217 7.9920 8.0047 8.0624 8.0923 9.3328 9.4254 9.4644 9.5646 9.7184 9.7500 k =-0.1541 0.2170 0.8152 ( 7431 PWs) bands (ev): -5.4965 -5.4962 -5.4792 -5.4789 -5.3629 -5.3623 -5.2352 -5.2338 0.1771 0.2313 0.2456 0.2947 1.1013 1.1741 1.2007 1.2605 2.1672 2.3646 2.4188 2.5755 2.8720 2.8892 2.9156 2.9382 2.9652 2.9988 3.0696 3.1205 3.2244 3.2556 3.2687 3.2844 3.8614 3.8673 3.9842 3.9916 4.0634 4.0916 4.1449 4.1753 4.5544 4.5637 4.6334 4.6505 5.1691 5.1812 5.2786 5.3004 5.4274 5.4328 5.4849 5.5154 8.0418 8.0588 8.1103 8.1527 9.2392 9.3357 9.4363 9.5435 9.7145 9.7649 k =-0.1635 0.2302 0.7990 ( 7426 PWs) bands (ev): -5.5079 -5.5076 -5.4874 -5.4870 -5.3764 -5.3758 -5.2060 -5.2045 0.1854 0.2441 0.2805 0.3314 1.1067 1.1763 1.2286 1.2826 2.1381 2.3407 2.4652 2.6125 2.8557 2.8803 2.9041 2.9322 2.9484 2.9861 3.0593 3.1254 3.2108 3.2562 3.2639 3.2859 3.8596 3.8674 3.9799 3.9911 4.0489 4.0828 4.1491 4.1822 4.5214 4.5371 4.6223 4.6383 5.1222 5.1365 5.2451 5.2720 5.4199 5.4213 5.4790 5.5125 8.0960 8.1160 8.1630 8.2159 9.1403 9.2304 9.4158 9.5206 9.6979 9.7733 k =-0.1728 0.2433 0.7829 ( 7426 PWs) bands (ev): -5.5190 -5.5186 -5.4958 -5.4954 -5.3893 -5.3887 -5.1773 -5.1757 0.1925 0.2562 0.3161 0.3686 1.1172 1.1816 1.2591 1.3063 2.1102 2.3161 2.5110 2.6457 2.8370 2.8699 2.8917 2.9184 2.9390 2.9696 3.0519 3.1304 3.1966 3.2561 3.2595 3.2873 3.8577 3.8674 3.9747 3.9907 4.0351 4.0741 4.1549 4.1896 4.4896 4.5128 4.6090 4.6232 5.0708 5.0871 5.2075 5.2387 5.4142 5.4178 5.4771 5.5124 8.1527 8.1749 8.2191 8.2797 9.0412 9.1227 9.3951 9.4970 9.6703 9.7420 k =-0.1822 0.2565 0.7667 ( 7425 PWs) bands (ev): -5.5296 -5.5292 -5.5041 -5.5037 -5.4015 -5.4009 -5.1494 -5.1476 0.1982 0.2671 0.3519 0.4061 1.1327 1.1911 1.2912 1.3314 2.0836 2.2921 2.5542 2.6734 2.8157 2.8575 2.8787 2.9011 2.9328 2.9511 3.0469 3.1351 3.1820 3.2512 3.2601 3.2886 3.8557 3.8674 3.9686 3.9904 4.0233 4.0662 4.1612 4.1971 4.4599 4.4906 4.5934 4.6058 5.0169 5.0352 5.1680 5.2038 5.4113 5.4176 5.4781 5.5146 8.2086 8.2340 8.2767 8.3416 8.9457 9.0167 9.3732 9.4728 9.6371 9.7027 k =-0.1915 0.2697 0.7506 ( 7429 PWs) bands (ev): -5.5398 -5.5394 -5.5123 -5.5118 -5.4131 -5.4125 -5.1225 -5.1205 0.2025 0.2769 0.3877 0.4434 1.1529 1.2049 1.3245 1.3580 2.0583 2.2689 2.5939 2.6934 2.7922 2.8418 2.8672 2.8845 2.9234 2.9352 3.0435 3.1390 3.1679 3.2452 3.2626 3.2901 3.8535 3.8674 3.9619 3.9901 4.0137 4.0593 4.1677 4.2046 4.4330 4.4704 4.5748 4.5870 4.9619 4.9825 5.1284 5.1695 5.4106 5.4185 5.4811 5.5187 8.2592 8.2919 8.3339 8.3987 8.8586 8.9163 9.3489 9.4465 9.6051 9.6635 k =-0.2008 0.2828 0.7344 ( 7424 PWs) bands (ev): -5.5495 -5.5491 -5.5202 -5.5196 -5.4240 -5.4233 -5.0968 -5.0947 0.2054 0.2854 0.4231 0.4800 1.1774 1.2227 1.3588 1.3861 2.0343 2.2467 2.6293 2.7029 2.7666 2.8229 2.8571 2.8692 2.9085 2.9262 3.0412 3.1404 3.1558 3.2397 3.2659 3.2920 3.8512 3.8675 3.9552 3.9899 4.0066 4.0537 4.1737 4.2117 4.4092 4.4520 4.5531 4.5679 4.9070 4.9305 5.0900 5.1370 5.4110 5.4200 5.4858 5.5245 8.2975 8.3438 8.3886 8.4486 8.7866 8.8269 9.3210 9.4154 9.5814 9.6326 k =-0.2102 0.2960 0.7183 ( 7428 PWs) bands (ev): -5.5586 -5.5582 -5.5277 -5.5271 -5.4341 -5.4335 -5.0725 -5.0703 0.2070 0.2927 0.4576 0.5156 1.2055 1.2443 1.3941 1.4157 2.0117 2.2253 2.6590 2.7001 2.7401 2.8030 2.8422 2.8570 2.8978 2.9188 3.0396 3.1352 3.1502 3.2356 3.2699 3.2946 3.8490 3.8675 3.9490 3.9894 4.0017 4.0492 4.1791 4.2182 4.3891 4.4352 4.5287 4.5491 4.8535 4.8804 5.0537 5.1068 5.4122 5.4217 5.4917 5.5317 8.3151 8.3746 8.4417 8.4925 8.7373 8.7582 9.2890 9.3779 9.5713 9.6158 k =-0.2195 0.3092 0.7021 ( 7432 PWs) bands (ev): -5.5670 -5.5666 -5.5347 -5.5341 -5.4435 -5.4428 -5.0497 -5.0474 0.2076 0.2987 0.4909 0.5497 1.2365 1.2691 1.4299 1.4468 1.9905 2.2046 2.6795 2.6862 2.7143 2.7843 2.8221 2.8444 2.8951 2.9126 3.0384 3.1255 3.1489 3.2331 3.2744 3.2984 3.8471 3.8676 3.9438 3.9884 3.9989 4.0457 4.1834 4.2238 4.3728 4.4196 4.5027 4.5306 4.8021 4.8332 5.0198 5.0794 5.4137 5.4233 5.4987 5.5400 8.3042 8.3667 8.4955 8.5356 8.7056 8.7290 9.2543 9.3352 9.5768 9.6158 k =-0.2289 0.3223 0.6860 ( 7439 PWs) bands (ev): -5.5748 -5.5744 -5.5412 -5.5406 -5.4520 -5.4513 -5.0286 -5.0262 0.2074 0.3035 0.5227 0.5818 1.2696 1.2966 1.4660 1.4795 1.9706 2.1846 2.6595 2.6842 2.6974 2.7694 2.7996 2.8303 2.8928 2.9119 3.0375 3.1163 3.1473 3.2323 3.2796 3.3037 3.8459 3.8677 3.9397 3.9868 3.9982 4.0433 4.1865 4.2283 4.3604 4.4049 4.4761 4.5128 4.7538 4.7898 4.9889 5.0547 5.4154 5.4248 5.5065 5.5492 8.2666 8.3251 8.5458 8.5786 8.6947 8.7301 9.2193 9.2913 9.5966 9.6322 k =-0.2382 0.3355 0.6698 ( 7433 PWs) bands (ev): -5.5819 -5.5815 -5.5472 -5.5465 -5.4598 -5.4590 -5.0094 -5.0068 0.2066 0.3074 0.5524 0.6116 1.3037 1.3262 1.5018 1.5138 1.9520 2.1650 2.6296 2.6603 2.6929 2.7592 2.7775 2.8166 2.8872 2.9177 3.0366 3.1086 3.1450 3.2326 3.2854 3.3103 3.8456 3.8680 3.9364 3.9851 3.9988 4.0417 4.1882 4.2317 4.3518 4.3906 4.4501 4.4959 4.7093 4.7511 4.9610 5.0329 5.4171 5.4261 5.5147 5.5589 8.2137 8.2657 8.5847 8.6220 8.7036 8.7406 9.1864 9.2494 9.6281 9.6640 k =-0.2476 0.3487 0.6537 ( 7436 PWs) bands (ev): -5.5882 -5.5879 -5.5525 -5.5518 -5.4666 -5.4659 -4.9921 -4.9895 0.2054 0.3104 0.5797 0.6386 1.3376 1.3570 1.5370 1.5494 1.9345 2.1456 2.5976 2.6336 2.6796 2.7442 2.7629 2.8041 2.8823 2.9252 3.0357 3.1023 3.1424 3.2333 3.2923 3.3176 3.8461 3.8685 3.9339 3.9834 4.0005 4.0407 4.1887 4.2340 4.3462 4.3765 4.4256 4.4803 4.6691 4.7175 4.9362 5.0137 5.4188 5.4272 5.5231 5.5690 8.1559 8.2007 8.6091 8.6660 8.7183 8.7553 9.1574 9.2118 9.6691 9.7088 k =-0.2569 0.3618 0.6375 ( 7432 PWs) bands (ev): -5.5938 -5.5935 -5.5572 -5.5565 -5.4726 -5.4719 -4.9769 -4.9742 0.2039 0.3126 0.6043 0.6625 1.3700 1.3883 1.5713 1.5856 1.9181 2.1264 2.5653 2.6069 2.6617 2.7216 2.7549 2.7926 2.8803 2.9324 3.0347 3.0975 3.1396 3.2337 3.3000 3.3250 3.8475 3.8694 3.9318 3.9817 4.0031 4.0402 4.1882 4.2354 4.3423 4.3623 4.4043 4.4662 4.6334 4.6896 4.9145 4.9971 5.4203 5.4281 5.5313 5.5789 8.0997 8.1373 8.6231 8.7056 8.7280 8.7754 9.1333 9.1796 9.7173 9.7635 k =-0.2663 0.3750 0.6214 ( 7439 PWs) bands (ev): -5.5986 -5.5982 -5.5613 -5.5606 -5.4777 -5.4770 -4.9639 -4.9610 0.2025 0.3143 0.6258 0.6831 1.3999 1.4187 1.6044 1.6213 1.9028 2.1072 2.5340 2.5815 2.6431 2.6984 2.7470 2.7810 2.8811 2.9387 3.0337 3.0939 3.1371 3.2339 3.3083 3.3318 3.8493 3.8708 3.9298 3.9800 4.0065 4.0397 4.1872 4.2361 4.3382 4.3480 4.3881 4.4537 4.6026 4.6673 4.8961 4.9831 5.4216 5.4288 5.5391 5.5884 8.0486 8.0792 8.6304 8.7214 8.7483 8.7972 9.1146 9.1530 9.7705 9.8241 k =-0.2756 0.3882 0.6052 ( 7435 PWs) bands (ev): -5.6025 -5.6022 -5.5646 -5.5639 -5.4819 -5.4812 -4.9531 -4.9502 0.2010 0.3155 0.6438 0.7001 1.4261 1.4468 1.6356 1.6551 1.8885 2.0884 2.5051 2.5586 2.6258 2.6768 2.7396 2.7696 2.8835 2.9441 3.0325 3.0913 3.1349 3.2337 3.3166 3.3377 3.8511 3.8729 3.9281 3.9782 4.0106 4.0391 4.1863 4.2362 4.3317 4.3344 4.3789 4.4430 4.5768 4.6504 4.8809 4.9717 5.4227 5.4293 5.5460 5.5969 8.0049 8.0290 8.6336 8.7178 8.7776 8.8165 9.1009 9.1318 9.8255 9.8869 k =-0.2850 0.4013 0.5891 ( 7435 PWs) bands (ev): -5.6056 -5.6052 -5.5672 -5.5665 -5.4852 -5.4845 -4.9446 -4.9417 0.1998 0.3163 0.6582 0.7135 1.4479 1.4709 1.6637 1.6853 1.8756 2.0707 2.4800 2.5394 2.6111 2.6583 2.7335 2.7589 2.8862 2.9483 3.0314 3.0896 3.1331 3.2333 3.3242 3.3421 3.8527 3.8754 3.9265 3.9765 4.0152 4.0381 4.1857 4.2359 4.3202 4.3256 4.3755 4.4344 4.5563 4.6383 4.8690 4.9627 5.4236 5.4296 5.5518 5.6041 7.9701 7.9880 8.6344 8.7114 8.8020 8.8312 9.0920 9.1153 9.8790 9.9479 k =-0.2943 0.4145 0.5730 ( 7428 PWs) bands (ev): -5.6078 -5.6075 -5.5691 -5.5684 -5.4876 -5.4868 -4.9386 -4.9355 0.1989 0.3168 0.6687 0.7231 1.4643 1.4895 1.6870 1.7096 1.8648 2.0553 2.4605 2.5249 2.5999 2.6441 2.7294 2.7501 2.8885 2.9515 3.0305 3.0885 3.1318 3.2329 3.3305 3.3450 3.8539 3.8781 3.9250 3.9749 4.0199 4.0364 4.1855 4.2353 4.3100 4.3189 4.3753 4.4280 4.5412 4.6303 4.8604 4.9564 5.4242 5.4299 5.5562 5.6095 7.9452 7.9574 8.6341 8.7051 8.8205 8.8407 9.0873 9.1030 9.9262 10.0025 k =-0.3037 0.4277 0.5568 ( 7428 PWs) bands (ev): -5.6091 -5.6088 -5.5702 -5.5695 -5.4890 -5.4882 -4.9349 -4.9319 0.1983 0.3171 0.6750 0.7288 1.4745 1.5013 1.7032 1.7253 1.8573 2.0446 2.4480 2.5159 2.5930 2.6351 2.7272 2.7441 2.8900 2.9534 3.0299 3.0879 3.1309 3.2326 3.3348 3.3463 3.8545 3.8801 3.9239 3.9739 4.0242 4.0342 4.1855 4.2348 4.3035 4.3143 4.3759 4.4241 4.5320 4.6257 4.8553 4.9525 5.4246 5.4300 5.5589 5.6129 7.9307 7.9379 8.6336 8.7007 8.8328 8.8451 9.0861 9.0944 9.9607 10.0444 k =-0.3130 0.4408 0.5407 ( 7422 PWs) bands (ev): -5.6095 -5.6092 -5.5706 -5.5699 -5.4895 -5.4887 -4.9337 -4.9306 0.1982 0.3172 0.6771 0.7308 1.4780 1.5053 1.7091 1.7306 1.8546 2.0406 2.4438 2.5129 2.5906 2.6320 2.7266 2.7419 2.8905 2.9540 3.0297 3.0877 3.1307 3.2325 3.3364 3.3467 3.8547 3.8809 3.9236 3.9735 4.0265 4.0327 4.1856 4.2345 4.3013 4.3127 4.3763 4.4228 4.5288 4.6243 4.8536 4.9513 5.4248 5.4300 5.5598 5.6141 7.9263 7.9310 8.6334 8.6991 8.8375 8.8458 9.0871 9.0902 9.9740 10.0616 k =-0.3130 0.4408 0.5407 ( 7422 PWs) bands (ev): -5.6095 -5.6092 -5.5706 -5.5699 -5.4895 -5.4887 -4.9337 -4.9306 0.1982 0.3172 0.6771 0.7308 1.4780 1.5053 1.7091 1.7306 1.8546 2.0406 2.4438 2.5129 2.5906 2.6320 2.7266 2.7419 2.8905 2.9540 3.0297 3.0877 3.1307 3.2325 3.3364 3.3467 3.8547 3.8809 3.9236 3.9735 4.0265 4.0327 4.1856 4.2345 4.3013 4.3127 4.3763 4.4228 4.5288 4.6243 4.8536 4.9513 5.4248 5.4300 5.5598 5.6141 7.9263 7.9310 8.6334 8.6991 8.8375 8.8458 9.0871 9.0902 9.9740 10.0616 k =-0.3038 0.4279 0.5248 ( 7434 PWs) bands (ev): -5.6193 -5.6188 -5.5476 -5.5468 -5.5009 -5.4999 -4.9328 -4.9297 0.1992 0.3189 0.6925 0.7543 1.4711 1.4854 1.7303 1.7398 1.8140 2.0076 2.4077 2.4821 2.5691 2.6075 2.7104 2.7311 2.8912 2.9489 3.0312 3.0849 3.1292 3.2452 3.3327 3.3600 3.8560 3.8809 3.9251 3.9781 4.0298 4.0414 4.1963 4.2441 4.3036 4.3132 4.3550 4.4028 4.5292 4.6268 4.8609 4.9678 5.4310 5.4310 5.5710 5.6240 7.9601 7.9672 8.6668 8.7299 8.8468 8.8599 9.1486 9.1487 10.0315 10.1097 k =-0.2946 0.4149 0.5089 ( 7424 PWs) bands (ev): -5.6456 -5.6451 -5.5239 -5.5231 -5.4950 -5.4939 -4.9320 -4.9288 0.1981 0.3172 0.7025 0.7725 1.4662 1.4680 1.7346 1.7585 1.7972 1.9788 2.3713 2.4502 2.5465 2.5822 2.6964 2.7213 2.8914 2.9440 3.0324 3.0811 3.1282 3.2556 3.3298 3.3725 3.8571 3.8812 3.9269 3.9820 4.0318 4.0486 4.2058 4.2512 4.3093 4.3170 4.3370 4.3852 4.5327 4.6314 4.8725 4.9885 5.4267 5.4326 5.5792 5.6309 7.9957 8.0054 8.6936 8.7532 8.8486 8.8640 9.2020 9.2035 10.0878 10.1569 k =-0.2854 0.4019 0.4930 ( 7424 PWs) bands (ev): -5.6808 -5.6804 -5.4997 -5.4988 -5.4794 -5.4784 -4.9313 -4.9280 0.1948 0.3120 0.7074 0.7854 1.4478 1.4677 1.7063 1.7925 1.8134 1.9552 2.3354 2.4175 2.5227 2.5560 2.6847 2.7125 2.8911 2.9394 3.0333 3.0765 3.1276 3.2627 3.3288 3.3841 3.8580 3.8817 3.9290 3.9850 4.0326 4.0540 4.2135 4.2554 4.3137 4.3233 4.3269 4.3709 4.5391 4.6380 4.8883 5.0131 5.4171 5.4293 5.5841 5.6350 8.0329 8.0454 8.7137 8.7692 8.8457 8.8619 9.2517 9.2543 10.1377 10.1989 k =-0.2762 0.3890 0.4771 ( 7420 PWs) bands (ev): -5.7197 -5.7193 -5.4750 -5.4741 -5.4594 -5.4584 -4.9306 -4.9273 0.1892 0.3032 0.7078 0.7935 1.4299 1.4687 1.6759 1.8300 1.8424 1.9384 2.3008 2.3844 2.4979 2.5292 2.6754 2.7049 2.8907 2.9352 3.0339 3.0714 3.1270 3.2654 3.3306 3.3948 3.8586 3.8824 3.9313 3.9871 4.0326 4.0576 4.2189 4.2553 4.3074 4.3290 4.3353 4.3632 4.5479 4.6460 4.9081 5.0417 5.4021 5.4210 5.5858 5.6367 8.0716 8.0871 8.7278 8.7789 8.8409 8.8573 9.2993 9.3027 10.1721 10.2261 k =-0.2670 0.3760 0.4612 ( 7420 PWs) bands (ev): -5.7600 -5.7597 -5.4499 -5.4490 -5.4372 -5.4362 -4.9300 -4.9267 0.1812 0.2911 0.7046 0.7972 1.4127 1.4677 1.6528 1.8638 1.8759 1.9342 2.2688 2.3516 2.4722 2.5023 2.6683 2.6986 2.8899 2.9313 3.0340 3.0660 3.1264 3.2640 3.3352 3.4044 3.8589 3.8833 3.9340 3.9880 4.0324 4.0596 4.2218 4.2500 4.3025 4.3275 4.3507 4.3686 4.5586 4.6550 4.9318 5.0740 5.3819 5.4076 5.5844 5.6364 8.1118 8.1303 8.7368 8.7842 8.8366 8.8534 9.3453 9.3494 10.1820 10.2294 k =-0.2578 0.3630 0.4453 ( 7418 PWs) bands (ev): -5.8007 -5.8005 -5.4245 -5.4235 -5.4138 -5.4128 -4.9295 -4.9262 0.1710 0.2759 0.6983 0.7973 1.3961 1.4609 1.6421 1.8785 1.9101 1.9570 2.2415 2.3195 2.4460 2.4758 2.6634 2.6937 2.8890 2.9278 3.0337 3.0605 3.1254 3.2597 3.3413 3.4129 3.8590 3.8843 3.9370 3.9880 4.0321 4.0601 4.2221 4.2409 4.3001 4.3204 4.3700 4.3848 4.5707 4.6640 4.9592 5.1099 5.3569 5.3894 5.5805 5.6351 8.1532 8.1749 8.7425 8.7868 8.8349 8.8526 9.3894 9.3942 10.1618 10.2036 k =-0.2486 0.3501 0.4293 ( 7424 PWs) bands (ev): -5.8414 -5.8411 -5.3989 -5.3979 -5.3896 -5.3886 -4.9292 -4.9258 0.1585 0.2579 0.6899 0.7945 1.3800 1.4463 1.6459 1.8782 1.9402 2.0007 2.2223 2.2889 2.4194 2.4502 2.6606 2.6901 2.8879 2.9247 3.0329 3.0550 3.1240 3.2536 3.3477 3.4202 3.8589 3.8855 3.9403 3.9870 4.0321 4.0594 4.2201 4.2301 4.2978 4.3124 4.3925 4.4062 4.5835 4.6725 4.9900 5.1491 5.3275 5.3665 5.5746 5.6337 8.1958 8.2208 8.7468 8.7889 8.8373 8.8562 9.4306 9.4361 10.1118 10.1491 k =-0.2394 0.3371 0.4134 ( 7418 PWs) bands (ev): -5.8816 -5.8813 -5.3731 -5.3721 -5.3649 -5.3639 -4.9289 -4.9255 0.1440 0.2374 0.6799 0.7893 1.3646 1.4254 1.6624 1.8754 1.9604 2.0503 2.2163 2.2611 2.3930 2.4265 2.6597 2.6880 2.8868 2.9219 3.0316 3.0498 3.1222 3.2465 3.3535 3.4263 3.8586 3.8868 3.9439 3.9853 4.0324 4.0579 4.2163 4.2191 4.2943 4.3047 4.4178 4.4304 4.5964 4.6796 5.0241 5.1914 5.2947 5.3397 5.5676 5.6334 8.2394 8.2676 8.7518 8.7922 8.8445 8.8647 9.4677 9.4739 10.0365 10.0700 k =-0.2302 0.3241 0.3975 ( 7420 PWs) bands (ev): -5.9211 -5.9209 -5.3473 -5.3462 -5.3400 -5.3390 -4.9286 -4.9253 0.1277 0.2149 0.6688 0.7825 1.3500 1.4013 1.6883 1.8727 1.9658 2.0991 2.2275 2.2386 2.3673 2.4056 2.6607 2.6872 2.8855 2.9194 3.0297 3.0447 3.1198 3.2389 3.3583 3.4311 3.8581 3.8881 3.9478 3.9833 4.0330 4.0558 4.2084 4.2110 4.2889 4.2974 4.4453 4.4561 4.6087 4.6845 5.0608 5.2339 5.2618 5.3097 5.5605 5.6353 8.2838 8.3153 8.7590 8.7983 8.8567 8.8780 9.4992 9.5060 9.9420 9.9720 k =-0.2210 0.3112 0.3816 ( 7408 PWs) bands (ev): -5.9599 -5.9597 -5.3215 -5.3204 -5.3149 -5.3139 -4.9285 -4.9252 0.1098 0.1909 0.6572 0.7743 1.3363 1.3764 1.7207 1.8699 1.9570 2.1373 2.2288 2.2535 2.3437 2.3891 2.6635 2.6877 2.8842 2.9172 3.0274 3.0399 3.1167 3.2312 3.3617 3.4346 3.8576 3.8893 3.9519 3.9814 4.0338 4.0532 4.1980 4.2045 4.2814 4.2903 4.4743 4.4822 4.6198 4.6868 5.0997 5.2190 5.2781 5.2876 5.5546 5.6407 8.3288 8.3634 8.7694 8.8080 8.8740 8.8959 9.5237 9.5311 9.8338 9.8604 k =-0.2118 0.2982 0.3657 ( 7404 PWs) bands (ev): -5.9977 -5.9976 -5.2958 -5.2947 -5.2899 -5.2888 -4.9285 -4.9252 0.0906 0.1655 0.6454 0.7654 1.3237 1.3519 1.7576 1.8660 1.9389 2.1487 2.2458 2.2830 2.3288 2.3798 2.6679 2.6894 2.8827 2.9151 3.0245 3.0354 3.1130 3.2233 3.3634 3.4367 3.8569 3.8904 3.9561 3.9796 4.0348 4.0503 4.1880 4.1971 4.2717 4.2831 4.5037 4.5071 4.6295 4.6861 5.1384 5.1823 5.2478 5.3375 5.5512 5.6505 8.3741 8.4117 8.7833 8.8217 8.8960 8.9179 9.5397 9.5482 9.7169 9.7396 k =-0.2025 0.2852 0.3498 ( 7412 PWs) bands (ev): -6.0345 -6.0344 -5.2703 -5.2692 -5.2649 -5.2639 -4.9286 -4.9254 0.0704 0.1394 0.6338 0.7560 1.3123 1.3288 1.7974 1.8600 1.9161 2.1405 2.2772 2.2831 2.3509 2.3830 2.6740 2.6922 2.8811 2.9132 3.0211 3.0313 3.1084 3.2153 3.3632 3.4373 3.8561 3.8912 3.9603 3.9783 4.0357 4.0471 4.1779 4.1887 4.2601 4.2758 4.5290 4.5323 4.6375 4.6829 5.1474 5.1660 5.2315 5.3899 5.5517 5.6655 8.4192 8.4598 8.8006 8.8391 8.9223 8.9432 9.5446 9.5564 9.5972 9.6133 k =-0.1933 0.2723 0.3339 ( 7410 PWs) bands (ev): -6.0702 -6.0701 -5.2451 -5.2440 -5.2402 -5.2392 -4.9287 -4.9255 0.0493 0.1127 0.6226 0.7463 1.3022 1.3074 1.8378 1.8511 1.8923 2.1279 2.2665 2.3014 2.3947 2.4050 2.6815 2.6960 2.8794 2.9113 3.0171 3.0277 3.1032 3.2074 3.3610 3.4363 3.8553 3.8916 3.9644 3.9777 4.0366 4.0434 4.1674 4.1792 4.2473 4.2685 4.5455 4.5581 4.6439 4.6777 5.1173 5.1580 5.2554 5.4436 5.5576 5.6861 8.4635 8.5067 8.8201 8.8594 8.9522 8.9705 9.4660 9.4836 9.5504 9.5568 k =-0.1841 0.2593 0.3180 ( 7406 PWs) bands (ev): -6.1047 -6.1045 -5.2203 -5.2192 -5.2159 -5.2148 -4.9289 -4.9258 0.0277 0.0857 0.6120 0.7366 1.2880 1.2936 1.8392 1.8579 1.8889 2.1150 2.2506 2.3169 2.4417 2.4428 2.6905 2.7004 2.8776 2.9095 3.0127 3.0244 3.0972 3.1994 3.3568 3.4336 3.8542 3.8916 3.9683 3.9778 4.0374 4.0392 4.1559 4.1684 4.2343 4.2613 4.5546 4.5783 4.6479 4.6719 5.0957 5.1371 5.2997 5.4968 5.5711 5.7123 8.5058 8.5516 8.8398 8.8812 8.9843 8.9977 9.3442 9.3542 9.5409 9.5494 k =-0.1749 0.2463 0.3021 ( 7410 PWs) bands (ev): -6.1378 -6.1377 -5.1960 -5.1949 -5.1919 -5.1909 -4.9292 -4.9262 0.0059 0.0589 0.6021 0.7271 1.2707 1.2865 1.8247 1.8369 1.9259 2.1026 2.2387 2.3310 2.4870 2.4887 2.7008 2.7052 2.8757 2.9077 3.0077 3.0216 3.0905 3.1915 3.3503 3.4291 3.8530 3.8912 3.9717 3.9784 4.0340 4.0381 4.1429 4.1560 4.2225 4.2547 4.5558 4.5897 4.6475 4.6665 5.0862 5.1214 5.3495 5.5444 5.5974 5.7438 8.5446 8.5924 8.8554 8.9017 9.0165 9.0210 9.2278 9.2283 9.5268 9.5374 k =-0.1657 0.2334 0.2862 ( 7414 PWs) bands (ev): -6.1696 -6.1695 -5.1722 -5.1712 -5.1685 -5.1676 -4.9296 -4.9266 -0.0160 0.0323 0.5932 0.7177 1.2557 1.2808 1.8085 1.8136 1.9629 2.0907 2.2329 2.3475 2.5322 2.5344 2.7102 2.7123 2.8734 2.9059 3.0023 3.0192 3.0833 3.1835 3.3415 3.4227 3.8514 3.8904 3.9743 3.9795 4.0270 4.0385 4.1287 4.1418 4.2131 4.2493 4.5499 4.5912 4.6404 4.6606 5.0914 5.1170 5.4019 5.5808 5.6418 5.7802 8.5773 8.6263 8.8568 8.9142 9.0305 9.0420 9.1151 9.1339 9.5066 9.5245 k =-0.1565 0.2204 0.2703 ( 7412 PWs) bands (ev): -6.2000 -6.1999 -5.1492 -5.1483 -5.1457 -5.1449 -4.9300 -4.9271 -0.0377 0.0062 0.5852 0.7087 1.2428 1.2766 1.7912 1.7916 1.9941 2.0794 2.2359 2.3672 2.5760 2.5777 2.7151 2.7250 2.8710 2.9040 2.9965 3.0170 3.0759 3.1756 3.3304 3.4142 3.8495 3.8893 3.9755 3.9806 4.0176 4.0386 4.1148 4.1257 4.2068 4.2452 4.5385 4.5849 4.6262 4.6508 5.1118 5.1270 5.4563 5.6125 5.6974 5.8207 8.6001 8.6487 8.8235 8.8893 9.0039 9.0197 9.0806 9.0962 9.4605 9.5146 k =-0.1473 0.2074 0.2544 ( 7412 PWs) bands (ev): -6.2289 -6.2288 -5.1269 -5.1261 -5.1237 -5.1229 -4.9304 -4.9277 -0.0591 -0.0192 0.5782 0.7000 1.2320 1.2737 1.7713 1.7738 2.0167 2.0690 2.2497 2.3893 2.6170 2.6182 2.7195 2.7387 2.8683 2.9021 2.9905 3.0151 3.0686 3.1678 3.3172 3.4035 3.8471 3.8878 3.9736 3.9813 4.0061 4.0383 4.1032 4.1083 4.2036 4.2430 4.5228 4.5740 4.6065 4.6351 5.1456 5.1516 5.5121 5.6460 5.7569 5.8647 8.6083 8.6538 8.7460 8.7988 8.9614 9.0090 9.0833 9.0963 9.4070 9.4611 k =-0.1381 0.1945 0.2385 ( 7408 PWs) bands (ev): -6.2563 -6.2562 -5.1054 -5.1047 -5.1024 -5.1017 -4.9309 -4.9282 -0.0799 -0.0438 0.5723 0.6916 1.2234 1.2719 1.7532 1.7571 2.0306 2.0597 2.2739 2.4127 2.6541 2.6549 2.7234 2.7534 2.8653 2.8999 2.9847 3.0132 3.0620 3.1601 3.3019 3.3906 3.8441 3.8861 3.9651 3.9808 3.9961 4.0369 4.0912 4.0953 4.2031 4.2426 4.5040 4.5601 4.5840 4.6142 5.1890 5.1901 5.5691 5.6828 5.8179 5.9115 8.5968 8.6367 8.6457 8.6870 8.9057 8.9975 9.0804 9.1083 9.3796 9.4230 k =-0.1289 0.1815 0.2226 ( 7398 PWs) bands (ev): -6.2821 -6.2820 -5.0849 -5.0844 -5.0820 -5.0815 -4.9314 -4.9289 -0.0999 -0.0674 0.5675 0.6835 1.2167 1.2710 1.7375 1.7416 2.0377 2.0520 2.3061 2.4363 2.6863 2.6864 2.7274 2.7692 2.8620 2.8974 2.9795 3.0112 3.0570 3.1528 3.2849 3.3754 3.8402 3.8843 3.9487 3.9787 3.9904 4.0317 4.0780 4.0911 4.2050 4.2440 4.4829 4.5437 4.5610 4.5909 5.2367 5.2429 5.6272 5.7231 5.8793 5.9603 8.5381 8.5650 8.5712 8.5987 8.8305 8.9396 9.1008 9.1306 9.3781 9.4231 k =-0.1197 0.1686 0.2067 ( 7396 PWs) bands (ev): -6.3063 -6.3062 -5.0654 -5.0651 -5.0626 -5.0622 -4.9319 -4.9295 -0.1191 -0.0898 0.5637 0.6758 1.2118 1.2709 1.7242 1.7278 2.0409 2.0459 2.3427 2.4587 2.7071 2.7121 2.7363 2.7863 2.8585 2.8943 2.9757 3.0094 3.0541 3.1459 3.2665 3.3581 3.8353 3.8822 3.9288 3.9745 3.9866 4.0193 4.0731 4.0899 4.2091 4.2472 4.4604 4.5245 4.5390 4.5680 5.2919 5.3018 5.6863 5.7666 5.9404 6.0105 8.4329 8.4612 8.5105 8.5370 8.7431 8.8531 9.1373 9.1616 9.3938 9.4459 k =-0.1105 0.1556 0.1908 ( 7388 PWs) bands (ev): -6.3288 -6.3287 -5.0470 -5.0468 -5.0443 -5.0440 -4.9325 -4.9302 -0.1373 -0.1110 0.5610 0.6682 1.2085 1.2711 1.7135 1.7163 2.0416 2.0426 2.3805 2.4790 2.7119 2.7303 2.7545 2.8046 2.8550 2.8905 2.9744 3.0085 3.0534 3.1394 3.2473 3.3390 3.8291 3.8799 3.9094 3.9681 3.9829 4.0014 4.0756 4.0909 4.2149 4.2519 4.4377 4.5025 4.5187 4.5476 5.3524 5.3648 5.7463 5.8131 6.0007 6.0611 8.3305 8.3550 8.4391 8.4597 8.6510 8.7572 9.1802 9.1987 9.4188 9.4778 k =-0.1013 0.1426 0.1749 ( 7382 PWs) bands (ev): -6.3496 -6.3496 -5.0298 -5.0298 -5.0271 -5.0269 -4.9330 -4.9308 -0.1543 -0.1309 0.5592 0.6609 1.2068 1.2713 1.7054 1.7072 2.0393 2.0443 2.4172 2.4962 2.7087 2.7400 2.7732 2.8235 2.8514 2.8863 2.9765 3.0094 3.0548 3.1336 3.2280 3.3186 3.8215 3.8774 3.8924 3.9594 3.9785 3.9821 4.0826 4.0938 4.2222 4.2577 4.4157 4.4791 4.5000 4.5298 5.4162 5.4304 5.8074 5.8624 6.0596 6.1117 8.2329 8.2543 8.3546 8.3705 8.5594 8.6601 9.2256 9.2393 9.4474 9.5109 k =-0.0921 0.1297 0.1590 ( 7382 PWs) bands (ev): -6.3688 -6.3687 -5.0140 -5.0139 -5.0111 -5.0111 -4.9335 -4.9314 -0.1702 -0.1494 0.5585 0.6538 1.2063 1.2714 1.6998 1.7008 2.0390 2.0467 2.4508 2.5096 2.7017 2.7418 2.7876 2.8415 2.8485 2.8831 2.9826 3.0125 3.0579 3.1285 3.2093 3.2975 3.8129 3.8745 3.8786 3.9473 3.9651 3.9735 4.0922 4.0983 4.2304 4.2644 4.3949 4.4560 4.4830 4.5137 5.4815 5.4969 5.8696 5.9144 6.1167 6.1614 8.1411 8.1597 8.2607 8.2731 8.4712 8.5657 9.2710 9.2812 9.4756 9.5402 k =-0.0829 0.1167 0.1431 ( 7374 PWs) bands (ev): -6.3862 -6.3861 -4.9995 -4.9993 -4.9966 -4.9965 -4.9340 -4.9321 -0.1847 -0.1664 0.5586 0.6468 1.2069 1.2710 1.6968 1.6972 2.0405 2.0502 2.4798 2.5187 2.6919 2.7366 2.7961 2.8443 2.8595 2.8823 2.9927 3.0180 3.0623 3.1241 3.1918 3.2764 3.8041 3.8678 3.8711 3.9310 3.9528 3.9680 4.1036 4.1041 4.2393 4.2715 4.3757 4.4344 4.4676 4.4985 5.5465 5.5626 5.9332 5.9692 6.1713 6.2095 8.0558 8.0719 8.1606 8.1704 8.3886 8.4761 9.3150 9.3228 9.5005 9.5625 k =-0.0737 0.1037 0.1272 ( 7382 PWs) bands (ev): -6.4018 -6.4017 -4.9864 -4.9860 -4.9834 -4.9832 -4.9344 -4.9326 -0.1978 -0.1819 0.5596 0.6400 1.2085 1.2699 1.6960 1.6962 2.0438 2.0549 2.5025 2.5235 2.6800 2.7260 2.7995 2.8415 2.8741 2.8847 3.0059 3.0256 3.0675 3.1205 3.1764 3.2559 3.7959 3.8594 3.8670 3.9134 3.9436 3.9622 4.1112 4.1165 4.2480 4.2784 4.3581 4.4150 4.4537 4.4840 5.6094 5.6256 5.9983 6.0269 6.2228 6.2552 7.9776 7.9914 8.0570 8.0650 8.3129 8.3927 9.3564 9.3625 9.5200 9.5762 k =-0.0644 0.0908 0.1113 ( 7392 PWs) bands (ev): -6.4156 -6.4156 -4.9747 -4.9742 -4.9716 -4.9713 -4.9348 -4.9332 -0.2094 -0.1957 0.5613 0.6333 1.2109 1.2681 1.6972 1.6975 2.0487 2.0607 2.5181 2.5243 2.6667 2.7114 2.8001 2.8389 2.8864 2.8895 3.0209 3.0346 3.0733 3.1176 3.1634 3.2369 3.7892 3.8526 3.8619 3.8964 3.9362 3.9563 4.1195 4.1305 4.2562 4.2846 4.3423 4.3980 4.4417 4.4699 5.6684 5.6843 6.0651 6.0875 6.2706 6.2979 7.9071 7.9189 7.9525 7.9591 8.2451 8.3164 9.3943 9.3994 9.5333 9.5812 k =-0.0552 0.0778 0.0954 ( 7385 PWs) bands (ev): -6.4277 -6.4276 -4.9645 -4.9639 -4.9612 -4.9610 -4.9352 -4.9336 -0.2194 -0.2079 0.5638 0.6267 1.2138 1.2655 1.7000 1.7007 2.0549 2.0674 2.5218 2.5263 2.6526 2.6941 2.8007 2.8367 2.8952 2.8963 3.0363 3.0444 3.0792 3.1154 3.1533 3.2196 3.7845 3.8472 3.8557 3.8812 3.9305 3.9505 4.1289 4.1453 4.2632 4.2887 4.3288 4.3836 4.4316 4.4566 5.7220 5.7369 6.1329 6.1503 6.3142 6.3368 7.8444 7.8498 7.8543 7.8554 8.1859 8.2482 9.4281 9.4326 9.5403 9.5788 k =-0.0460 0.0648 0.0795 ( 7397 PWs) bands (ev): -6.4379 -6.4378 -4.9558 -4.9550 -4.9525 -4.9521 -4.9354 -4.9340 -0.2279 -0.2184 0.5669 0.6201 1.2174 1.2622 1.7040 1.7051 2.0620 2.0743 2.5172 2.5278 2.6387 2.6756 2.8026 2.8349 2.9008 2.9039 3.0509 3.0542 3.0849 3.1138 3.1462 3.2044 3.7819 3.8428 3.8479 3.8682 3.9264 3.9450 4.1395 4.1604 4.2682 4.2883 4.3199 4.3714 4.4236 4.4442 5.7690 5.7823 6.2007 6.2141 6.3528 6.3712 7.7503 7.7553 7.7914 7.7994 8.1358 8.1885 9.4573 9.4615 9.5420 9.5712 k =-0.0368 0.0519 0.0636 ( 7405 PWs) bands (ev): -6.4462 -6.4462 -4.9488 -4.9478 -4.9453 -4.9449 -4.9356 -4.9342 -0.2348 -0.2273 0.5706 0.6137 1.2213 1.2584 1.7086 1.7100 2.0695 2.0809 2.5117 2.5244 2.6261 2.6571 2.8061 2.8333 2.9057 2.9095 3.0632 3.0633 3.0902 3.1126 3.1423 3.1914 3.7816 3.8386 3.8395 3.8580 3.9238 3.9399 4.1510 4.1753 4.2709 4.2812 4.3175 4.3611 4.4176 4.4334 5.8084 5.8195 6.2661 6.2764 6.3860 6.4005 7.6588 7.6630 7.7471 7.7534 8.0952 8.1380 9.4814 9.4856 9.5399 9.5612 k =-0.0276 0.0389 0.0477 ( 7427 PWs) bands (ev): -6.4527 -6.4527 -4.9434 -4.9420 -4.9400 -4.9393 -4.9354 -4.9342 -0.2399 -0.2343 0.5747 0.6075 1.2255 1.2540 1.7132 1.7146 2.0768 2.0865 2.5065 2.5183 2.6158 2.6399 2.8105 2.8317 2.9098 2.9133 3.0709 3.0726 3.0948 3.1115 3.1419 3.1804 3.7834 3.8284 3.8372 3.8503 3.9226 3.9352 4.1633 4.1890 4.2705 4.2707 4.3193 4.3522 4.4136 4.4245 5.8397 5.8483 6.3255 6.3330 6.4134 6.4242 7.5787 7.5821 7.7123 7.7170 8.0645 8.0969 9.5002 9.5048 9.5359 9.5510 k =-0.0184 0.0259 0.0318 ( 7425 PWs) bands (ev): -6.4574 -6.4574 -4.9398 -4.9379 -4.9375 -4.9356 -4.9340 -4.9335 -0.2433 -0.2397 0.5794 0.6014 1.2301 1.2494 1.7172 1.7184 2.0833 2.0904 2.5027 2.5116 2.6087 2.6252 2.8154 2.8297 2.9129 2.9155 3.0768 3.0786 3.0989 3.1101 3.1446 3.1711 3.7872 3.8182 3.8360 3.8445 3.9225 3.9313 4.1759 4.1995 4.2607 4.2679 4.3227 4.3446 4.4114 4.4179 5.8626 5.8685 6.3738 6.3787 6.4352 6.4422 7.5150 7.5175 7.6875 7.6905 8.0440 8.0657 9.5134 9.5186 9.5317 9.5428 k =-0.0092 0.0130 0.0159 ( 7413 PWs) bands (ev): -6.4602 -6.4602 -4.9380 -4.9371 -4.9353 -4.9343 -4.9320 -4.9320 -0.2451 -0.2432 0.5844 0.5955 1.2348 1.2445 1.7200 1.7207 2.0884 2.0922 2.5012 2.5058 2.6058 2.6142 2.8199 2.8271 2.9151 2.9165 3.0806 3.0816 3.1024 3.1081 3.1496 3.1631 3.7929 3.8086 3.8362 3.8403 3.9235 3.9280 4.1883 4.2034 4.2557 4.2629 4.3269 4.3378 4.4106 4.4136 5.8770 5.8800 6.4051 6.4074 6.4508 6.4540 7.4737 7.4750 7.6728 7.6743 8.0338 8.0447 9.5209 9.5255 9.5304 9.5375 k = 0.0000 0.0000 0.0000 ( 7409 PWs) bands (ev): -6.4611 -6.4611 -4.9373 -4.9373 -4.9341 -4.9341 -4.9313 -4.9313 -0.2450 -0.2450 0.5898 0.5898 1.2396 1.2396 1.7212 1.7212 2.0915 2.0915 2.5022 2.5022 2.6076 2.6076 2.8239 2.8239 2.9164 2.9164 3.0822 3.0822 3.1056 3.1056 3.1560 3.1560 3.8001 3.8001 3.8376 3.8376 3.9254 3.9254 4.1986 4.1986 4.2576 4.2576 4.3319 4.3319 4.4113 4.4113 5.8828 5.8828 6.4162 6.4162 6.4577 6.4577 7.4597 7.4597 7.6683 7.6683 8.0341 8.0341 9.5242 9.5242 9.5342 9.5342 k = 0.0000 0.0000 0.0000 ( 7409 PWs) bands (ev): -6.4611 -6.4611 -4.9373 -4.9373 -4.9341 -4.9341 -4.9313 -4.9313 -0.2450 -0.2450 0.5898 0.5898 1.2396 1.2396 1.7212 1.7212 2.0915 2.0915 2.5022 2.5022 2.6076 2.6076 2.8239 2.8239 2.9164 2.9164 3.0822 3.0822 3.1056 3.1056 3.1560 3.1560 3.8001 3.8001 3.8376 3.8376 3.9254 3.9254 4.1986 4.1986 4.2576 4.2576 4.3319 4.3319 4.4113 4.4113 5.8828 5.8828 6.4162 6.4162 6.4577 6.4577 7.4597 7.4597 7.6683 7.6683 8.0341 8.0341 9.5242 9.5242 9.5342 9.5342 k = 0.0185 0.0131 0.0000 ( 7405 PWs) bands (ev): -6.4602 -6.4602 -4.9390 -4.9390 -4.9343 -4.9343 -4.9314 -4.9314 -0.2435 -0.2435 0.5878 0.5878 1.2373 1.2373 1.7266 1.7266 2.0942 2.0942 2.5032 2.5032 2.6086 2.6086 2.8238 2.8238 2.9162 2.9162 3.0819 3.0819 3.1058 3.1058 3.1552 3.1552 3.7981 3.7981 3.8404 3.8404 3.9253 3.9253 4.1981 4.1981 4.2591 4.2591 4.3321 4.3321 4.4124 4.4124 5.8789 5.8789 6.4124 6.4124 6.4450 6.4450 7.4749 7.4749 7.6687 7.6687 8.0364 8.0364 9.5220 9.5220 9.5317 9.5317 k = 0.0370 0.0263 0.0000 ( 7397 PWs) bands (ev): -6.4573 -6.4573 -4.9445 -4.9445 -4.9346 -4.9346 -4.9315 -4.9315 -0.2390 -0.2390 0.5819 0.5819 1.2308 1.2308 1.7421 1.7421 2.1022 2.1022 2.5061 2.5061 2.6117 2.6117 2.8237 2.8237 2.9157 2.9157 3.0807 3.0807 3.1066 3.1066 3.1531 3.1531 3.7936 3.7936 3.8477 3.8477 3.9251 3.9251 4.1964 4.1964 4.2633 4.2633 4.3326 4.3326 4.4157 4.4157 5.8670 5.8670 6.4010 6.4010 6.4092 6.4092 7.5182 7.5182 7.6698 7.6698 8.0433 8.0433 9.5139 9.5139 9.5237 9.5237 k = 0.0556 0.0394 0.0000 ( 7409 PWs) bands (ev): -6.4525 -6.4525 -4.9538 -4.9538 -4.9349 -4.9349 -4.9318 -4.9318 -0.2316 -0.2316 0.5723 0.5723 1.2212 1.2212 1.7667 1.7667 2.1152 2.1152 2.5108 2.5108 2.6168 2.6168 2.8234 2.8234 2.9148 2.9148 3.0788 3.0788 3.1077 3.1077 3.1495 3.1495 3.7883 3.7883 3.8576 3.8576 3.9247 3.9247 4.1938 4.1938 4.2703 4.2703 4.3333 4.3333 4.4212 4.4212 5.8473 5.8473 6.3558 6.3558 6.3824 6.3824 7.5836 7.5836 7.6720 7.6720 8.0547 8.0547 9.4959 9.4959 9.5076 9.5076 k = 0.0741 0.0526 0.0000 ( 7412 PWs) bands (ev): -6.4459 -6.4459 -4.9668 -4.9668 -4.9353 -4.9353 -4.9322 -4.9322 -0.2215 -0.2215 0.5593 0.5593 1.2100 1.2100 1.7988 1.7988 2.1331 2.1331 2.5175 2.5175 2.6237 2.6237 2.8230 2.8230 2.9135 2.9135 3.0763 3.0763 3.1092 3.1092 3.1446 3.1446 3.7830 3.7830 3.8689 3.8689 3.9242 3.9242 4.1900 4.1900 4.2798 4.2798 4.3345 4.3345 4.4291 4.4291 5.8199 5.8199 6.2912 6.2912 6.3569 6.3569 7.6613 7.6613 7.6787 7.6787 8.0705 8.0705 9.4637 9.4637 9.4788 9.4788 k = 0.0926 0.0657 0.0000 ( 7396 PWs) bands (ev): -6.4373 -6.4373 -4.9832 -4.9832 -4.9357 -4.9357 -4.9326 -4.9326 -0.2091 -0.2091 0.5432 0.5432 1.1986 1.1986 1.8370 1.8370 2.1553 2.1553 2.5258 2.5258 2.6326 2.6326 2.8222 2.8222 2.9120 2.9120 3.0734 3.0734 3.1111 3.1111 3.1387 3.1387 3.7782 3.7782 3.8811 3.8811 3.9238 3.9238 4.1853 4.1853 4.2917 4.2917 4.3362 4.3362 4.4394 4.4394 5.7851 5.7851 6.2205 6.2205 6.3251 6.3251 7.6771 7.6771 7.7587 7.7587 8.0904 8.0904 9.4139 9.4139 9.4320 9.4320 k = 0.1111 0.0789 0.0000 ( 7408 PWs) bands (ev): -6.4269 -6.4269 -5.0030 -5.0030 -4.9363 -4.9363 -4.9332 -4.9332 -0.1945 -0.1945 0.5245 0.5245 1.1884 1.1885 1.8799 1.8799 2.1814 2.1814 2.5358 2.5358 2.6432 2.6432 2.8210 2.8210 2.9101 2.9101 3.0702 3.0702 3.1128 3.1128 3.1322 3.1322 3.7741 3.7741 3.8933 3.8933 3.9237 3.9237 4.1793 4.1793 4.3058 4.3058 4.3384 4.3384 4.4521 4.4521 5.7433 5.7433 6.1474 6.1474 6.2876 6.2876 7.6825 7.6825 7.8563 7.8563 8.1142 8.1142 9.3455 9.3455 9.3653 9.3653 k = 0.1296 0.0920 0.0000 ( 7408 PWs) bands (ev): -6.4146 -6.4146 -5.0260 -5.0260 -4.9368 -4.9368 -4.9339 -4.9339 -0.1783 -0.1783 0.5037 0.5037 1.1805 1.1805 1.9263 1.9263 2.2108 2.2108 2.5473 2.5473 2.6554 2.6554 2.8191 2.8191 2.9081 2.9081 3.0668 3.0668 3.1128 3.1128 3.1268 3.1268 3.7706 3.7706 3.9041 3.9041 3.9253 3.9253 4.1722 4.1722 4.3213 4.3213 4.3420 4.3420 4.4673 4.4673 5.6951 5.6951 6.0743 6.0743 6.2451 6.2451 7.6888 7.6888 7.9560 7.9560 8.1418 8.1418 9.2604 9.2604 9.2806 9.2806 k = 0.1481 0.1052 0.0000 ( 7392 PWs) bands (ev): -6.4004 -6.4004 -5.0520 -5.0520 -4.9375 -4.9375 -4.9346 -4.9346 -0.1607 -0.1607 0.4811 0.4811 1.1757 1.1757 1.9754 1.9754 2.2429 2.2429 2.5599 2.5599 2.6690 2.6690 2.8162 2.8162 2.9062 2.9062 3.0636 3.0636 3.1082 3.1082 3.1260 3.1260 3.7679 3.7679 3.9103 3.9103 3.9315 3.9315 4.1639 4.1639 4.3352 4.3352 4.3501 4.3501 4.4849 4.4849 5.6416 5.6416 6.0028 6.0028 6.1983 6.1983 7.6964 7.6964 8.0536 8.0536 8.1733 8.1733 9.1624 9.1624 9.1822 9.1822 k = 0.1667 0.1183 0.0000 ( 7408 PWs) bands (ev): -6.3844 -6.3844 -5.0807 -5.0807 -4.9382 -4.9382 -4.9354 -4.9354 -0.1424 -0.1424 0.4572 0.4572 1.1747 1.1747 2.0261 2.0261 2.2772 2.2772 2.5735 2.5735 2.6838 2.6838 2.8117 2.8117 2.9048 2.9048 3.0608 3.0608 3.0999 3.0999 3.1287 3.1287 3.7657 3.7657 3.9115 3.9115 3.9419 3.9419 4.1544 4.1544 4.3429 4.3429 4.3673 4.3673 4.5049 4.5049 5.5837 5.5837 5.9336 5.9336 6.1479 6.1479 7.7054 7.7054 8.1430 8.1430 8.2103 8.2103 9.0557 9.0557 9.0747 9.0747 k = 0.1852 0.1315 0.0000 ( 7408 PWs) bands (ev): -6.3666 -6.3666 -5.1120 -5.1120 -4.9389 -4.9389 -4.9362 -4.9362 -0.1237 -0.1237 0.4324 0.4324 1.1781 1.1781 2.0779 2.0779 2.3128 2.3128 2.5875 2.5875 2.6997 2.6997 2.8054 2.8054 2.9044 2.9044 3.0586 3.0586 3.0903 3.0903 3.1329 3.1329 3.7642 3.7642 3.9109 3.9109 3.9535 3.9535 4.1439 4.1439 4.3488 4.3488 4.3893 4.3893 4.5273 4.5273 5.5228 5.5228 5.8669 5.8669 6.0947 6.0947 7.7158 7.7158 8.2122 8.2122 8.2594 8.2594 8.9438 8.9438 8.9620 8.9620 k = 0.2037 0.1446 0.0000 ( 7428 PWs) bands (ev): -6.3470 -6.3470 -5.1457 -5.1457 -4.9397 -4.9397 -4.9371 -4.9371 -0.1050 -0.1050 0.4071 0.4071 1.1863 1.1863 2.1299 2.1299 2.3492 2.3492 2.6012 2.6012 2.7162 2.7162 2.7970 2.7970 2.9055 2.9055 3.0573 3.0573 3.0804 3.0804 3.1379 3.1379 3.7634 3.7634 3.9094 3.9094 3.9643 3.9643 4.1324 4.1324 4.3554 4.3554 4.4138 4.4138 4.5518 4.5518 5.4604 5.4604 5.8025 5.8025 6.0393 6.0393 7.7275 7.7275 8.2581 8.2581 8.3169 8.3169 8.8298 8.8298 8.8474 8.8474 k = 0.2222 0.1578 0.0000 ( 7420 PWs) bands (ev): -6.3257 -6.3257 -5.1814 -5.1814 -4.9405 -4.9405 -4.9381 -4.9381 -0.0868 -0.0868 0.3816 0.3816 1.1998 1.1998 2.1813 2.1813 2.3856 2.3856 2.6136 2.6136 2.7331 2.7331 2.7871 2.7871 2.9089 2.9089 3.0568 3.0568 3.0711 3.0711 3.1437 3.1437 3.7632 3.7632 3.9076 3.9076 3.9734 3.9734 4.1204 4.1204 4.3634 4.3634 4.4402 4.4402 4.5785 4.5785 5.3978 5.3978 5.7403 5.7403 5.9823 5.9823 7.7403 7.7403 8.2950 8.2950 8.3602 8.3602 8.7157 8.7157 8.7331 8.7331 k = 0.2407 0.1709 0.0000 ( 7412 PWs) bands (ev): -6.3026 -6.3026 -5.2190 -5.2190 -4.9414 -4.9414 -4.9390 -4.9390 -0.0694 -0.0694 0.3562 0.3562 1.2187 1.2187 2.2312 2.2312 2.4214 2.4214 2.6228 2.6228 2.7496 2.7496 2.7777 2.7777 2.9145 2.9145 3.0540 3.0540 3.0657 3.0657 3.1500 3.1500 3.7635 3.7635 3.9057 3.9057 3.9799 3.9799 4.1081 4.1081 4.3733 4.3733 4.4682 4.4682 4.6071 4.6071 5.3361 5.3361 5.6800 5.6800 5.9244 5.9244 7.7541 7.7541 8.3258 8.3258 8.3794 8.3794 8.6035 8.6035 8.6214 8.6214 k = 0.2593 0.1841 0.0000 ( 7420 PWs) bands (ev): -6.2778 -6.2778 -5.2582 -5.2582 -4.9422 -4.9422 -4.9400 -4.9400 -0.0530 -0.0530 0.3311 0.3311 1.2431 1.2431 2.2785 2.2785 2.4559 2.4559 2.6267 2.6267 2.7608 2.7608 2.7761 2.7761 2.9227 2.9227 3.0459 3.0459 3.0676 3.0676 3.1570 3.1570 3.7643 3.7643 3.9035 3.9035 3.9830 3.9830 4.0960 4.0960 4.3853 4.3853 4.4975 4.4975 4.6373 4.6373 5.2761 5.2761 5.6216 5.6216 5.8660 5.8660 7.7684 7.7684 8.3410 8.3410 8.3786 8.3786 8.4954 8.4954 8.5155 8.5155 k = 0.2778 0.1972 0.0000 ( 7424 PWs) bands (ev): -6.2514 -6.2514 -5.2988 -5.2988 -4.9430 -4.9430 -4.9409 -4.9409 -0.0378 -0.0378 0.3066 0.3066 1.2730 1.2730 2.3214 2.3214 2.4883 2.4883 2.6234 2.6234 2.7611 2.7611 2.7905 2.7905 2.9330 2.9330 3.0361 3.0361 3.0735 3.0735 3.1645 3.1645 3.7655 3.7655 3.9013 3.9013 3.9820 3.9820 4.0848 4.0848 4.3998 4.3998 4.5279 4.5279 4.6689 4.6689 5.2186 5.2186 5.5651 5.5651 5.8077 5.8077 7.7827 7.7827 8.3166 8.3166 8.3618 8.3618 8.3989 8.3989 8.4324 8.4324 k = 0.2963 0.2104 0.0000 ( 7408 PWs) bands (ev): -6.2233 -6.2233 -5.3406 -5.3406 -4.9438 -4.9438 -4.9419 -4.9419 -0.0238 -0.0238 0.2828 0.2828 1.3082 1.3082 2.3571 2.3571 2.5178 2.5178 2.6145 2.6145 2.7635 2.7635 2.8089 2.8089 2.9451 2.9451 3.0260 3.0260 3.0822 3.0822 3.1725 3.1725 3.7672 3.7672 3.8993 3.8993 3.9769 3.9769 4.0746 4.0746 4.4167 4.4167 4.5593 4.5593 4.7017 4.7017 5.1638 5.1638 5.5105 5.5105 5.7499 5.7499 7.7962 7.7962 8.2569 8.2569 8.2795 8.2795 8.3201 8.3201 8.4169 8.4169 k = 0.3148 0.2235 0.0000 ( 7404 PWs) bands (ev): -6.1937 -6.1937 -5.3833 -5.3833 -4.9445 -4.9445 -4.9428 -4.9428 -0.0110 -0.0110 0.2599 0.2599 1.3485 1.3485 2.3810 2.3810 2.5435 2.5435 2.6061 2.6061 2.7694 2.7694 2.8286 2.8286 2.9582 2.9582 3.0158 3.0158 3.0934 3.0934 3.1809 3.1809 3.7694 3.7694 3.8972 3.8972 3.9680 3.9680 4.0653 4.0653 4.4360 4.4360 4.5913 4.5913 4.7352 4.7352 5.1121 5.1121 5.4581 5.4581 5.6930 5.6930 7.8082 7.8082 8.1757 8.1757 8.1870 8.1870 8.2525 8.2525 8.4138 8.4138 k = 0.3333 0.2367 0.0000 ( 7392 PWs) bands (ev): -6.1625 -6.1625 -5.4269 -5.4269 -4.9453 -4.9453 -4.9436 -4.9436 0.0007 0.0007 0.2379 0.2379 1.3936 1.3936 2.3867 2.3867 2.5648 2.5648 2.6063 2.6063 2.7776 2.7776 2.8492 2.8492 2.9716 2.9716 3.0055 3.0055 3.1071 3.1071 3.1896 3.1896 3.7718 3.7718 3.8951 3.8951 3.9564 3.9564 4.0562 4.0562 4.4576 4.4576 4.6238 4.6238 4.7690 4.7690 5.0636 5.0636 5.4083 5.4083 5.6375 5.6375 7.8175 7.8175 8.0906 8.0906 8.0990 8.0990 8.1899 8.1899 8.4053 8.4053 k = 0.3519 0.2498 0.0000 ( 7388 PWs) bands (ev): -6.1299 -6.1299 -5.4709 -5.4709 -4.9459 -4.9459 -4.9445 -4.9445 0.0115 0.0115 0.2170 0.2170 1.4430 1.4430 2.3712 2.3712 2.5837 2.5837 2.6169 2.6169 2.7872 2.7872 2.8703 2.8703 2.9844 2.9844 2.9951 2.9951 3.1228 3.1228 3.1984 3.1984 3.7747 3.7747 3.8926 3.8926 3.9439 3.9439 4.0468 4.0468 4.4814 4.4814 4.6565 4.6565 4.8024 4.8024 5.0182 5.0182 5.3614 5.3614 5.5836 5.5836 7.8232 7.8232 8.0098 8.0098 8.0171 8.0171 8.1295 8.1295 8.3944 8.3944 k = 0.3704 0.2630 0.0000 ( 7380 PWs) bands (ev): -6.0958 -6.0958 -5.5154 -5.5154 -4.9465 -4.9465 -4.9452 -4.9452 0.0216 0.0216 0.1972 0.1972 1.4963 1.4963 2.3386 2.3386 2.6028 2.6028 2.6319 2.6319 2.7979 2.7979 2.8915 2.8915 2.9845 2.9845 2.9961 2.9961 3.1398 3.1398 3.2071 3.2071 3.7781 3.7781 3.8891 3.8891 3.9323 3.9323 4.0367 4.0367 4.5070 4.5070 4.6892 4.6892 4.8344 4.8344 4.9760 4.9760 5.3180 5.3180 5.5316 5.5316 7.8245 7.8245 7.9362 7.9362 7.9423 7.9423 8.0719 8.0719 8.3866 8.3866 k = 0.3889 0.2761 0.0000 ( 7392 PWs) bands (ev): -6.0604 -6.0604 -5.5601 -5.5601 -4.9470 -4.9470 -4.9459 -4.9459 0.0312 0.0312 0.1786 0.1786 1.5529 1.5529 2.2945 2.2945 2.6215 2.6215 2.6468 2.6468 2.8098 2.8098 2.9123 2.9123 2.9739 2.9739 3.0060 3.0060 3.1572 3.1572 3.2153 3.2153 3.7819 3.7819 3.8832 3.8832 3.9239 3.9239 4.0255 4.0255 4.5340 4.5340 4.7214 4.7214 4.8629 4.8629 4.9378 4.9378 5.2793 5.2793 5.4818 5.4818 7.8211 7.8211 7.8714 7.8714 7.8755 7.8755 8.0181 8.0181 8.3860 8.3860 k = 0.4074 0.2893 0.0000 ( 7388 PWs) bands (ev): -6.0237 -6.0237 -5.6048 -5.6048 -4.9475 -4.9475 -4.9466 -4.9466 0.0406 0.0406 0.1612 0.1612 1.6124 1.6124 2.2430 2.2430 2.6381 2.6381 2.6597 2.6597 2.8230 2.8230 2.9318 2.9318 2.9635 2.9635 3.0137 3.0137 3.1743 3.1743 3.2226 3.2226 3.7863 3.7863 3.8743 3.8743 3.9202 3.9202 4.0135 4.0135 4.5624 4.5624 4.7528 4.7528 4.8774 4.8774 4.9126 4.9126 5.2466 5.2466 5.4343 5.4343 7.8048 7.8048 7.8175 7.8175 7.8256 7.8256 7.9691 7.9691 8.3948 8.3948 k = 0.4259 0.3024 0.0000 ( 7400 PWs) bands (ev): -5.9858 -5.9858 -5.6493 -5.6493 -4.9478 -4.9478 -4.9471 -4.9471 0.0499 0.0499 0.1449 0.1449 1.6743 1.6743 2.1865 2.1865 2.6520 2.6520 2.6699 2.6699 2.8373 2.8373 2.9439 2.9439 2.9589 2.9589 3.0189 3.0189 3.1902 3.1902 3.2287 3.2287 3.7915 3.7915 3.8633 3.8633 3.9209 3.9209 4.0007 4.0007 4.5918 4.5918 4.7817 4.7817 4.8565 4.8565 4.9203 4.9203 5.2221 5.2221 5.3893 5.3893 7.7628 7.7628 7.7690 7.7690 7.8142 7.8142 7.9258 7.9258 8.4134 8.4134 k = 0.4444 0.3156 0.0000 ( 7404 PWs) bands (ev): -5.9468 -5.9468 -5.6936 -5.6936 -4.9481 -4.9481 -4.9475 -4.9475 0.0594 0.0594 0.1298 0.1298 1.7380 1.7380 2.1264 2.1264 2.6631 2.6631 2.6769 2.6769 2.8523 2.8523 2.9362 2.9362 2.9721 2.9721 3.0213 3.0213 3.2042 3.2042 3.2329 3.2329 3.7974 3.7974 3.8518 3.8518 3.9248 3.9248 3.9875 3.9875 4.6220 4.6220 4.7973 4.7973 4.8385 4.8385 4.9301 4.9301 5.2087 5.2087 5.3472 5.3472 7.7261 7.7261 7.7304 7.7304 7.8087 7.8087 7.8889 7.8889 8.4409 8.4409 k = 0.4630 0.3287 0.0000 ( 7412 PWs) bands (ev): -5.9067 -5.9067 -5.7375 -5.7375 -4.9482 -4.9482 -4.9479 -4.9479 0.0693 0.0693 0.1158 0.1158 1.8029 1.8029 2.0639 2.0639 2.6715 2.6715 2.6810 2.6810 2.8675 2.8675 2.9241 2.9241 2.9870 2.9870 3.0207 3.0207 3.2158 3.2158 3.2350 3.2350 3.8041 3.8041 3.8406 3.8406 3.9312 3.9312 3.9744 3.9744 4.6527 4.6527 4.7775 4.7775 4.8542 4.8542 4.9303 4.9303 5.2085 5.2085 5.3083 5.3083 7.6995 7.6995 7.7023 7.7023 7.8070 7.8070 7.8588 7.8588 8.4764 8.4764 k = 0.4815 0.3419 0.0000 ( 7432 PWs) bands (ev): -5.8656 -5.8656 -5.7809 -5.7809 -4.9483 -4.9483 -4.9481 -4.9481 0.0797 0.0797 0.1029 0.1029 1.8685 1.8685 1.9995 1.9995 2.6775 2.6775 2.6824 2.6824 2.8825 2.8825 2.9109 2.9109 2.9998 2.9998 3.0169 3.0169 3.2248 3.2248 3.2344 3.2344 3.8118 3.8118 3.8301 3.8301 3.9397 3.9397 3.9617 3.9617 4.6840 4.6840 4.7471 4.7471 4.8789 4.8789 4.9201 4.9201 5.2209 5.2209 5.2733 5.2733 7.6836 7.6836 7.6850 7.6850 7.8103 7.8103 7.8357 7.8357 8.5186 8.5186 k = 0.5000 0.3550 0.0000 ( 7440 PWs) bands (ev): -5.8236 -5.8236 -5.8236 -5.8236 -4.9483 -4.9483 -4.9483 -4.9483 0.0909 0.0909 0.0909 0.0909 1.9342 1.9342 1.9342 1.9342 2.6811 2.6811 2.6811 2.6811 2.8970 2.8970 2.8970 2.8970 3.0099 3.0099 3.0099 3.0099 3.2310 3.2310 3.2310 3.2310 3.8205 3.8205 3.8205 3.8205 3.9500 3.9500 3.9500 3.9500 4.7155 4.7155 4.7155 4.7155 4.9019 4.9019 4.9019 4.9019 5.2435 5.2435 5.2435 5.2435 7.6788 7.6788 7.6788 7.6788 7.8196 7.8196 7.8196 7.8196 8.5666 8.5666 k = 0.5000 0.3550 0.0000 ( 7440 PWs) bands (ev): -5.8236 -5.8236 -5.8236 -5.8236 -4.9483 -4.9483 -4.9483 -4.9483 0.0909 0.0909 0.0909 0.0909 1.9342 1.9342 1.9342 1.9342 2.6811 2.6811 2.6811 2.6811 2.8970 2.8970 2.8970 2.8970 3.0099 3.0099 3.0099 3.0099 3.2310 3.2310 3.2310 3.2310 3.8205 3.8205 3.8205 3.8205 3.9500 3.9500 3.9500 3.9500 4.7155 4.7155 4.7155 4.7155 4.9019 4.9019 4.9019 4.9019 5.2435 5.2435 5.2435 5.2435 7.6788 7.6788 7.6788 7.6788 7.8196 7.8196 7.8196 7.8196 8.5666 8.5666 k = 0.4907 0.3682 0.0161 ( 7420 PWs) bands (ev): -5.8230 -5.8230 -5.8229 -5.8229 -4.9502 -4.9501 -4.9483 -4.9481 0.0883 0.0931 0.0936 0.0949 1.9277 1.9286 1.9363 1.9365 2.6713 2.6775 2.6867 2.6869 2.8889 2.8919 2.9002 2.9046 2.9956 3.0072 3.0114 3.0249 3.2221 3.2273 3.2303 3.2387 3.8183 3.8207 3.8241 3.8265 3.9466 3.9481 3.9519 3.9531 4.7053 4.7092 4.7167 4.7176 4.8955 4.8986 4.9103 4.9110 5.2398 5.2407 5.2423 5.2476 7.6721 7.6821 7.6828 7.6847 7.8168 7.8242 7.8251 7.8346 8.5702 8.5709 k = 0.4813 0.3814 0.0323 ( 7412 PWs) bands (ev): -5.8209 -5.8209 -5.8209 -5.8208 -4.9558 -4.9558 -4.9482 -4.9478 0.0873 0.1002 0.1003 0.1015 1.9170 1.9196 1.9345 1.9350 2.6572 2.6757 2.6880 2.6945 2.8801 2.8851 2.9005 2.9117 2.9832 3.0035 3.0116 3.0396 3.2106 3.2216 3.2242 3.2464 3.8172 3.8251 3.8312 3.8384 3.9429 3.9461 3.9540 3.9559 4.6862 4.6941 4.7162 4.7165 4.8858 4.8933 4.9269 4.9287 5.2315 5.2323 5.2426 5.2539 7.6646 7.6818 7.6962 7.7005 7.8269 7.8388 7.8403 7.8591 8.5830 8.5860 k = 0.4720 0.3945 0.0484 ( 7388 PWs) bands (ev): -5.8176 -5.8175 -5.8175 -5.8174 -4.9651 -4.9651 -4.9480 -4.9474 0.0876 0.1072 0.1124 0.1141 1.9023 1.9073 1.9285 1.9303 2.6390 2.6754 2.6844 2.7040 2.8701 2.8768 2.8974 2.9179 2.9741 2.9988 3.0106 3.0533 3.1967 3.2131 3.2158 3.2543 3.8169 3.8302 3.8442 3.8548 3.9390 3.9439 3.9564 3.9584 4.6614 4.6720 4.7143 4.7147 4.8719 4.8835 4.9504 4.9522 5.2183 5.2188 5.2456 5.2624 7.6583 7.6787 7.7193 7.7259 7.8480 7.8634 7.8650 7.8909 8.6049 8.6095 k = 0.4626 0.4077 0.0646 ( 7390 PWs) bands (ev): -5.8129 -5.8128 -5.8127 -5.8126 -4.9780 -4.9780 -4.9477 -4.9469 0.0893 0.1155 0.1292 0.1314 1.8838 1.8918 1.9189 1.9226 2.6165 2.6753 2.6762 2.7150 2.8585 2.8670 2.8912 2.9231 2.9688 2.9933 3.0085 3.0652 3.1824 3.1986 3.2102 3.2625 3.8174 3.8357 3.8621 3.8739 3.9352 3.9416 3.9594 3.9606 4.6334 4.6457 4.7107 4.7122 4.8541 4.8691 4.9774 4.9788 5.2008 5.2013 5.2514 5.2734 7.6542 7.6754 7.7516 7.7608 7.8776 7.8974 7.8989 7.9283 8.6361 8.6419 k = 0.4533 0.4209 0.0807 ( 7384 PWs) bands (ev): -5.8069 -5.8068 -5.8066 -5.8064 -4.9944 -4.9944 -4.9473 -4.9463 0.0923 0.1252 0.1505 0.1534 1.8621 1.8734 1.9060 1.9119 2.5894 2.6604 2.6775 2.7266 2.8453 2.8558 2.8831 2.9265 2.9662 2.9875 3.0057 3.0742 3.1708 3.1825 3.2049 3.2711 3.8187 3.8418 3.8829 3.8933 3.9319 3.9396 3.9628 3.9639 4.6039 4.6172 4.7057 4.7087 4.8326 4.8505 5.0050 5.0063 5.1795 5.1823 5.2601 5.2869 7.6526 7.6733 7.7928 7.8049 7.9138 7.9401 7.9414 7.9700 8.6768 8.6834 k = 0.4439 0.4340 0.0969 ( 7390 PWs) bands (ev): -5.7996 -5.7995 -5.7991 -5.7989 -5.0141 -5.0141 -4.9467 -4.9456 0.0966 0.1361 0.1761 0.1797 1.8375 1.8526 1.8903 1.8987 2.5577 2.6392 2.6788 2.7380 2.8313 2.8432 2.8744 2.9271 2.9638 2.9823 3.0032 3.0790 3.1645 3.1665 3.2000 3.2800 3.8207 3.8485 3.9041 3.9094 3.9306 3.9387 3.9654 3.9715 4.5738 4.5877 4.6990 4.7042 4.8080 4.8283 5.0299 5.0324 5.1575 5.1646 5.2719 5.3031 7.6537 7.6734 7.8423 7.8577 7.9555 7.9908 7.9919 8.0152 8.7270 8.7340 k = 0.4346 0.4472 0.1130 ( 7396 PWs) bands (ev): -5.7910 -5.7909 -5.7903 -5.7901 -5.0370 -5.0370 -4.9461 -4.9448 0.1020 0.1483 0.2055 0.2101 1.8106 1.8296 1.8722 1.8833 2.5213 2.6117 2.6795 2.7470 2.8191 2.8290 2.8655 2.9235 2.9591 2.9789 3.0025 3.0797 3.1521 3.1644 3.1958 3.2891 3.8232 3.8555 3.9160 3.9195 3.9348 3.9433 3.9693 3.9842 4.5439 4.5580 4.6903 4.6983 4.7808 4.8029 5.0457 5.0512 5.1409 5.1549 5.2866 5.3219 7.6575 7.6758 7.8992 7.9187 8.0014 8.0491 8.0495 8.0633 8.7867 8.7936 k = 0.4252 0.4604 0.1292 ( 7410 PWs) bands (ev): -5.7811 -5.7810 -5.7802 -5.7800 -5.0628 -5.0628 -4.9454 -4.9439 0.1084 0.1615 0.2385 0.2441 1.7818 1.8049 1.8522 1.8662 2.4807 2.5783 2.6791 2.7500 2.8125 2.8135 2.8560 2.9154 2.9507 2.9777 3.0041 3.0781 3.1403 3.1682 3.1934 3.2982 3.8261 3.8628 3.9157 3.9233 3.9413 3.9552 3.9780 4.0021 4.5144 4.5285 4.6796 4.6910 4.7519 4.7752 5.0448 5.0508 5.1424 5.1616 5.3041 5.3430 7.6640 7.6808 7.9626 7.9870 8.0514 8.1108 8.1145 8.1166 8.8556 8.8619 k = 0.4159 0.4735 0.1453 ( 7424 PWs) bands (ev): -5.7701 -5.7699 -5.7689 -5.7686 -5.0913 -5.0913 -4.9446 -4.9429 0.1157 0.1757 0.2746 0.2814 1.7516 1.7790 1.8309 1.8477 2.4360 2.5397 2.6771 2.7444 2.7967 2.8140 2.8457 2.9036 2.9389 2.9782 3.0073 3.0762 3.1319 3.1711 3.1954 3.3071 3.8293 3.8698 3.9143 3.9228 3.9465 3.9631 3.9955 4.0232 4.4858 4.4998 4.6667 4.6813 4.7228 4.7457 5.0300 5.0312 5.1625 5.1826 5.3240 5.3662 7.6730 7.6883 8.0304 8.0615 8.1056 8.1647 8.1850 8.1863 8.9335 8.9387 k = 0.4065 0.4867 0.1615 ( 7440 PWs) bands (ev): -5.7578 -5.7577 -5.7563 -5.7559 -5.1223 -5.1223 -4.9437 -4.9419 0.1238 0.1906 0.3132 0.3216 1.7206 1.7522 1.8087 1.8285 2.3879 2.4969 2.6730 2.7323 2.7787 2.8198 2.8355 2.8893 2.9247 2.9794 3.0110 3.0752 3.1273 3.1699 3.2034 3.3156 3.8325 3.8762 3.9132 3.9223 3.9510 3.9677 4.0170 4.0456 4.4584 4.4721 4.6519 4.6659 4.6975 4.7151 5.0043 5.0095 5.1901 5.2103 5.3459 5.3910 7.6845 7.6983 8.0994 8.1404 8.1660 8.2200 8.2596 8.2637 9.0197 9.0233 k = 0.3972 0.4999 0.1776 ( 7440 PWs) bands (ev): -5.7445 -5.7443 -5.7425 -5.7421 -5.1556 -5.1556 -4.9428 -4.9408 0.1324 0.2061 0.3539 0.3640 1.6892 1.7250 1.7863 1.8090 2.3370 2.4511 2.6664 2.7170 2.7600 2.8160 2.8350 2.8736 2.9089 2.9804 3.0144 3.0756 3.1269 3.1664 3.2150 3.3235 3.8357 3.8811 3.9128 3.9233 3.9555 3.9718 4.0390 4.0682 4.4323 4.4458 4.6352 4.6409 4.6807 4.6843 4.9759 4.9884 5.2199 5.2403 5.3692 5.4169 7.6986 7.7108 8.1654 8.2196 8.2355 8.2809 8.3378 8.3459 9.1136 9.1152 k = 0.3878 0.5130 0.1938 ( 7436 PWs) bands (ev): -5.7301 -5.7299 -5.7275 -5.7271 -5.1908 -5.1908 -4.9418 -4.9397 0.1415 0.2219 0.3959 0.4082 1.6580 1.6978 1.7642 1.7899 2.2840 2.4033 2.6566 2.7000 2.7409 2.8017 2.8424 2.8573 2.8926 2.9808 3.0171 3.0770 3.1304 3.1621 3.2283 3.3304 3.8387 3.8841 3.9131 3.9262 3.9606 3.9763 4.0602 4.0905 4.4080 4.4211 4.6102 4.6168 4.6538 4.6692 4.9484 4.9691 5.2500 5.2707 5.3934 5.4434 7.7151 7.7257 8.2266 8.2914 8.3140 8.3536 8.4184 8.4318 9.2136 9.2144 k = 0.3785 0.5262 0.2099 ( 7440 PWs) bands (ev): -5.7147 -5.7145 -5.7114 -5.7109 -5.2278 -5.2278 -4.9408 -4.9385 0.1507 0.2377 0.4385 0.4534 1.6275 1.6709 1.7433 1.7717 2.2294 2.3543 2.6429 2.6818 2.7218 2.7846 2.8408 2.8470 2.8785 2.9804 3.0191 3.0792 3.1375 3.1575 3.2426 3.3362 3.8414 3.8852 3.9139 3.9310 3.9666 3.9814 4.0803 4.1123 4.3854 4.3983 4.5779 4.5966 4.6249 4.6595 4.9231 4.9527 5.2796 5.3003 5.4179 5.4700 7.7339 7.7430 8.2844 8.3534 8.3982 8.4381 8.5005 8.5202 9.3175 9.3214 k = 0.3691 0.5394 0.2261 ( 7422 PWs) bands (ev): -5.6984 -5.6982 -5.6941 -5.6937 -5.2662 -5.2661 -4.9397 -4.9373 0.1598 0.2533 0.4809 0.4990 1.5982 1.6447 1.7242 1.7551 2.1740 2.3051 2.6249 2.6624 2.7032 2.7657 2.8247 2.8407 2.8734 2.9789 3.0206 3.0818 3.1476 3.1529 3.2573 3.3406 3.8438 3.8850 3.9151 3.9371 3.9737 3.9874 4.0991 4.1335 4.3649 4.3777 4.5455 4.5739 4.5994 4.6507 4.9009 4.9400 5.3080 5.3284 5.4422 5.4960 7.7552 7.7626 8.3405 8.4104 8.4843 8.5262 8.5842 8.6098 9.4256 9.4336 k = 0.3598 0.5525 0.2422 ( 7424 PWs) bands (ev): -5.6814 -5.6812 -5.6759 -5.6753 -5.3056 -5.3055 -4.9387 -4.9362 0.1686 0.2682 0.5221 0.5441 1.5707 1.6193 1.7082 1.7409 2.1183 2.2563 2.6025 2.6418 2.6851 2.7453 2.8090 2.8245 2.8763 2.9765 3.0220 3.0844 3.1483 3.1598 3.2724 3.3436 3.8460 3.8843 3.9164 3.9435 3.9821 3.9941 4.1165 4.1537 4.3467 4.3595 4.5138 4.5483 4.5784 4.6426 4.8823 4.9312 5.3346 5.3544 5.4658 5.5210 7.7788 7.7845 8.3953 8.4652 8.5687 8.6094 8.6706 8.6992 9.5363 9.5498 k = 0.3504 0.5657 0.2583 ( 7428 PWs) bands (ev): -5.6639 -5.6637 -5.6566 -5.6560 -5.3457 -5.3456 -4.9376 -4.9350 0.1769 0.2819 0.5611 0.5878 1.5455 1.5947 1.6961 1.7299 2.0628 2.2086 2.5761 2.6197 2.6674 2.7239 2.7940 2.8051 2.8806 2.9731 3.0233 3.0868 3.1438 3.1735 3.2876 3.3449 3.8480 3.8833 3.9178 3.9500 3.9914 4.0014 4.1326 4.1730 4.3311 4.3440 4.4831 4.5215 4.5615 4.6356 4.8678 4.9267 5.3590 5.3774 5.4884 5.5444 7.8048 7.8086 8.4486 8.5183 8.6478 8.6815 8.7604 8.7869 9.6466 9.6687 k = 0.3411 0.5789 0.2745 ( 7436 PWs) bands (ev): -5.6463 -5.6462 -5.6364 -5.6358 -5.3859 -5.3857 -4.9366 -4.9338 0.1842 0.2942 0.5971 0.6293 1.5232 1.5711 1.6892 1.7228 2.0080 2.1626 2.5464 2.5959 2.6494 2.7018 2.7798 2.7848 2.8843 2.9690 3.0248 3.0886 3.1397 3.1882 3.3028 3.3446 3.8499 3.8824 3.9192 3.9563 4.0015 4.0086 4.1474 4.1911 4.3183 4.3313 4.4538 4.4949 4.5482 4.6299 4.8575 4.9264 5.3807 5.3971 5.5095 5.5658 7.8330 7.8349 8.5000 8.5692 8.7178 8.7403 8.8505 8.8713 9.7514 9.7880 k = 0.3317 0.5920 0.2906 ( 7434 PWs) bands (ev): -5.6295 -5.6294 -5.6153 -5.6146 -5.4252 -5.4248 -4.9356 -4.9327 0.1904 0.3045 0.6289 0.6675 1.5042 1.5483 1.6886 1.7203 1.9545 2.1189 2.5140 2.5701 2.6307 2.6791 2.7645 2.7664 2.8872 2.9643 3.0264 3.0895 3.1360 3.2033 3.3179 3.3429 3.8516 3.8816 3.9206 3.9624 4.0121 4.0156 4.1611 4.2076 4.3088 4.3218 4.4261 4.4693 4.5383 4.6260 4.8517 4.9304 5.3992 5.4127 5.5286 5.5847 7.8633 7.8635 8.5487 8.6172 8.7753 8.7857 8.9369 8.9508 9.8419 9.9025 k = 0.3224 0.6052 0.3068 ( 7430 PWs) bands (ev): -5.6156 -5.6155 -5.5933 -5.5926 -5.4614 -5.4609 -4.9346 -4.9316 0.1951 0.3123 0.6557 0.7015 1.4890 1.5264 1.6951 1.7230 1.9029 2.0781 2.4796 2.5424 2.6112 2.6559 2.7449 2.7538 2.8892 2.9593 3.0281 3.0892 3.1330 3.2182 3.3325 3.3401 3.8532 3.8811 3.9221 3.9682 4.0217 4.0227 4.1738 4.2222 4.3029 4.3156 4.4002 4.4452 4.5318 4.6240 4.8504 4.9387 5.4140 5.4238 5.5455 5.6009 7.8938 7.8961 8.5935 8.6609 8.8178 8.8181 9.0163 9.0241 9.9134 9.9989 k = 0.3130 0.6184 0.3229 ( 7422 PWs) bands (ev): -5.6095 -5.6092 -5.5706 -5.5699 -5.4895 -5.4887 -4.9337 -4.9306 0.1982 0.3172 0.6771 0.7308 1.4780 1.5053 1.7091 1.7306 1.8546 2.0406 2.4438 2.5129 2.5906 2.6320 2.7266 2.7419 2.8905 2.9540 3.0297 3.0877 3.1307 3.2325 3.3364 3.3467 3.8547 3.8809 3.9236 3.9735 4.0265 4.0327 4.1856 4.2345 4.3013 4.3127 4.3763 4.4228 4.5288 4.6243 4.8536 4.9513 5.4248 5.4300 5.5598 5.6141 7.9263 7.9310 8.6334 8.6991 8.8375 8.8458 9.0871 9.0902 9.9740 10.0616 k = 0.3130 0.6184 0.3229 ( 7422 PWs) bands (ev): -5.6095 -5.6092 -5.5706 -5.5699 -5.4895 -5.4887 -4.9337 -4.9306 0.1982 0.3172 0.6771 0.7308 1.4780 1.5053 1.7091 1.7306 1.8546 2.0406 2.4438 2.5129 2.5906 2.6320 2.7266 2.7419 2.8905 2.9540 3.0297 3.0877 3.1307 3.2325 3.3364 3.3467 3.8547 3.8809 3.9236 3.9735 4.0265 4.0327 4.1856 4.2345 4.3013 4.3127 4.3763 4.4228 4.5288 4.6243 4.8536 4.9513 5.4248 5.4300 5.5598 5.6141 7.9263 7.9310 8.6334 8.6991 8.8375 8.8458 9.0871 9.0902 9.9740 10.0616 k = 0.2922 0.6124 0.3302 ( 7428 PWs) bands (ev): -5.6202 -5.6197 -5.5569 -5.5562 -5.4912 -5.4902 -4.9336 -4.9306 0.1985 0.3172 0.6854 0.7421 1.4729 1.4953 1.7190 1.7384 1.8327 2.0228 2.4247 2.5014 2.5752 2.6238 2.7217 2.7403 2.8908 2.9522 3.0297 3.0865 3.1291 3.2376 3.3344 3.3521 3.8550 3.8820 3.9243 3.9742 4.0279 4.0381 4.1882 4.2395 4.3015 4.3179 4.3667 4.4134 4.5300 4.6264 4.8565 4.9573 5.3999 5.4279 5.5796 5.6312 7.9450 7.9527 8.6500 8.7143 8.8406 8.8510 9.1181 9.1198 9.9976 10.0815 k = 0.2713 0.6065 0.3374 ( 7424 PWs) bands (ev): -5.6368 -5.6363 -5.5564 -5.5557 -5.4719 -5.4709 -4.9345 -4.9314 0.1976 0.3142 0.6940 0.7523 1.4675 1.4843 1.7317 1.7492 1.8106 2.0019 2.4007 2.4942 2.5502 2.6198 2.7228 2.7449 2.8909 2.9513 3.0281 3.0850 3.1261 3.2404 3.3320 3.3558 3.8548 3.8852 3.9254 3.9721 4.0287 4.0449 4.1867 4.2432 4.3051 4.3313 4.3591 4.4047 4.5346 4.6314 4.8600 4.9620 5.3592 5.3993 5.6158 5.6593 7.9719 7.9848 8.6665 8.7286 8.8396 8.8517 9.1519 9.1525 10.0167 10.0938 k = 0.2504 0.6006 0.3447 ( 7419 PWs) bands (ev): -5.6535 -5.6530 -5.5662 -5.5656 -5.4405 -5.4393 -4.9363 -4.9332 0.1955 0.3082 0.7031 0.7614 1.4633 1.4736 1.7392 1.7588 1.7976 1.9789 2.3731 2.4899 2.5203 2.6177 2.7289 2.7542 2.8909 2.9513 3.0251 3.0832 3.1219 3.2402 3.3300 3.3581 3.8544 3.8901 3.9267 3.9681 4.0292 4.0518 4.1836 4.2435 4.3128 4.3479 4.3566 4.3978 4.5424 4.6392 4.8638 4.9648 5.3138 5.3591 5.6531 5.6860 8.0073 8.0264 8.6830 8.7425 8.8373 8.8515 9.1885 9.1915 10.0306 10.0977 k = 0.2296 0.5947 0.3520 ( 7424 PWs) bands (ev): -5.6694 -5.6689 -5.5788 -5.5782 -5.4056 -5.4044 -4.9392 -4.9361 0.1925 0.2995 0.7130 0.7696 1.4590 1.4659 1.7243 1.7734 1.8027 1.9548 2.3431 2.4774 2.4989 2.6165 2.7388 2.7671 2.8910 2.9520 3.0204 3.0812 3.1166 3.2370 3.3287 3.3591 3.8542 3.8962 3.9283 3.9629 4.0294 4.0581 4.1805 4.2412 4.3182 4.3544 4.3736 4.3951 4.5534 4.6497 4.8673 4.9658 5.2666 5.3142 5.6850 5.7066 8.0507 8.0771 8.7001 8.7577 8.8348 8.8517 9.2312 9.2375 10.0392 10.0949 k = 0.2087 0.5888 0.3592 ( 7423 PWs) bands (ev): -5.6841 -5.6837 -5.5916 -5.5910 -5.3701 -5.3688 -4.9433 -4.9402 0.1887 0.2885 0.7236 0.7770 1.4514 1.4650 1.6980 1.7907 1.8159 1.9310 2.3120 2.4443 2.4993 2.6160 2.7514 2.7823 2.8916 2.9534 3.0143 3.0793 3.1102 3.2307 3.3284 3.3592 3.8545 3.9030 3.9301 3.9570 4.0296 4.0634 4.1782 4.2377 4.3177 4.3574 4.3973 4.4034 4.5678 4.6628 4.8705 4.9647 5.2189 5.2672 5.7089 5.7192 8.1017 8.1362 8.7183 8.7754 8.8323 8.8540 9.2816 9.2911 10.0430 10.0874 k = 0.1878 0.5828 0.3665 ( 7426 PWs) bands (ev): -5.6976 -5.6972 -5.6037 -5.6033 -5.3349 -5.3335 -4.9487 -4.9456 0.1844 0.2758 0.7347 0.7837 1.4435 1.4672 1.6703 1.8064 1.8304 1.9092 2.2811 2.4077 2.5049 2.6160 2.7659 2.7988 2.8928 2.9552 3.0068 3.0774 3.1027 3.2218 3.3289 3.3585 3.8554 3.9100 3.9318 3.9512 4.0299 4.0675 4.1770 4.2337 4.3143 4.3554 4.4186 4.4278 4.5856 4.6781 4.8735 4.9619 5.1715 5.2196 5.7223 5.7248 8.1598 8.2030 8.7381 8.7944 8.8297 8.8616 9.3401 9.3524 10.0434 10.0772 k = 0.1669 0.5769 0.3737 ( 7430 PWs) bands (ev): -5.7097 -5.7094 -5.6150 -5.6146 -5.3006 -5.2990 -4.9554 -4.9523 0.1798 0.2620 0.7462 0.7898 1.4367 1.4707 1.6445 1.8169 1.8444 1.8922 2.2517 2.3707 2.5127 2.6161 2.7815 2.8161 2.8951 2.9570 2.9980 3.0757 3.0945 3.2110 3.3300 3.3573 3.8569 3.9166 3.9326 3.9468 4.0306 4.0704 4.1767 4.2296 4.3104 4.3504 4.4429 4.4569 4.6068 4.6952 4.8763 4.9575 5.1250 5.1719 5.7192 5.7301 8.2242 8.2768 8.7591 8.8104 8.8265 8.8796 9.4066 9.4208 10.0417 10.0653 k = 0.1461 0.5710 0.3810 ( 7432 PWs) bands (ev): -5.7205 -5.7202 -5.6252 -5.6248 -5.2673 -5.2657 -4.9635 -4.9605 0.1754 0.2476 0.7577 0.7953 1.4310 1.4737 1.6231 1.8167 1.8570 1.8852 2.2250 2.3346 2.5219 2.6161 2.7977 2.8334 2.8988 2.9585 2.9882 3.0734 3.0862 3.1988 3.3315 3.3558 3.8589 3.9216 3.9316 3.9460 4.0316 4.0721 4.1773 4.2255 4.3069 4.3445 4.4695 4.4870 4.6312 4.7134 4.8792 4.9517 5.0799 5.1248 5.7086 5.7276 8.2942 8.3565 8.7782 8.8215 8.8249 8.9087 9.4803 9.4951 10.0391 10.0527 k = 0.1252 0.5651 0.3883 ( 7431 PWs) bands (ev): -5.7299 -5.7296 -5.6341 -5.6338 -5.2353 -5.2336 -4.9732 -4.9702 0.1713 0.2334 0.7687 0.8002 1.4265 1.4745 1.6085 1.8047 1.8678 1.8888 2.2020 2.3001 2.5319 2.6156 2.8141 2.8503 2.9045 2.9591 2.9776 3.0677 3.0812 3.1858 3.3332 3.3541 3.8616 3.9206 3.9335 3.9479 4.0332 4.0726 4.1786 4.2212 4.3043 4.3384 4.4974 4.5172 4.6582 4.7316 4.8824 4.9445 5.0372 5.0789 5.6930 5.7180 8.3685 8.4409 8.7905 8.8183 8.8406 8.9430 9.5603 9.5735 10.0361 10.0396 k = 0.1043 0.5592 0.3955 ( 7431 PWs) bands (ev): -5.7379 -5.7377 -5.6418 -5.6415 -5.2049 -5.2030 -4.9844 -4.9815 0.1680 0.2197 0.7790 0.8044 1.4232 1.4714 1.6027 1.7862 1.8773 1.8967 2.1835 2.2680 2.5424 2.6143 2.8301 2.8663 2.9123 2.9577 2.9673 3.0573 3.0810 3.1725 3.3349 3.3523 3.8647 3.9153 3.9382 3.9508 4.0355 4.0721 4.1804 4.2169 4.3026 4.3326 4.5256 4.5470 4.6869 4.7484 4.8861 4.9357 4.9981 5.0350 5.6746 5.7028 8.4458 8.5285 8.7958 8.8142 8.8601 8.9762 9.6445 9.6538 10.0262 10.0329 k = 0.0835 0.5533 0.4028 ( 7425 PWs) bands (ev): -5.7445 -5.7443 -5.6481 -5.6479 -5.1761 -5.1742 -4.9971 -4.9943 0.1657 0.2070 0.7882 0.8078 1.4212 1.4643 1.6058 1.7648 1.8857 1.9043 2.1698 2.2390 2.5530 2.6120 2.8454 2.8812 2.9224 2.9506 2.9610 3.0446 3.0835 3.1592 3.3366 3.3505 3.8682 3.9092 3.9430 3.9536 4.0385 4.0705 4.1827 4.2125 4.3020 4.3269 4.5537 4.5756 4.7157 4.7623 4.8903 4.9236 4.9659 4.9939 5.6558 5.6842 8.5242 8.6170 8.7979 8.8105 8.8764 9.0025 9.7291 9.7331 10.0117 10.0275 k = 0.0626 0.5473 0.4100 ( 7433 PWs) bands (ev): -5.7496 -5.7494 -5.6531 -5.6529 -5.1494 -5.1474 -5.0111 -5.0085 0.1648 0.1957 0.7961 0.8102 1.4208 1.4551 1.6163 1.7421 1.8933 1.9100 2.1611 2.2137 2.5634 2.6085 2.8599 2.8949 2.9333 2.9390 2.9583 3.0307 3.0880 3.1462 3.3383 3.3487 3.8721 3.9031 3.9472 3.9558 4.0422 4.0679 4.1854 4.2081 4.3023 4.3217 4.5809 4.6019 4.7424 4.7720 4.8928 4.9077 4.9445 4.9570 5.6391 5.6646 8.6013 8.7027 8.7991 8.8080 8.8840 9.0162 9.8019 9.8121 9.9951 10.0148 k = 0.0417 0.5414 0.4173 ( 7431 PWs) bands (ev): -5.7532 -5.7531 -5.6566 -5.6565 -5.1253 -5.1233 -5.0260 -5.0236 0.1654 0.1859 0.8024 0.8115 1.4220 1.4455 1.6319 1.7186 1.9003 1.9129 2.1575 2.1927 2.5733 2.6038 2.8738 2.9076 2.9263 2.9404 2.9600 3.0159 3.0943 3.1338 3.3400 3.3469 3.8764 3.8971 3.9509 3.9569 4.0465 4.0645 4.1884 4.2037 4.3037 4.3168 4.6057 4.6235 4.7637 4.7780 4.8820 4.9031 4.9257 4.9336 5.6271 5.6463 8.6737 8.7725 8.8002 8.8144 8.8817 9.0126 9.8588 9.8766 9.9768 9.9921 k = 0.0209 0.5355 0.4245 ( 7423 PWs) bands (ev): -5.7554 -5.7553 -5.6587 -5.6587 -5.1054 -5.1038 -5.0399 -5.0381 0.1677 0.1780 0.8070 0.8115 1.4250 1.4369 1.6510 1.6952 1.9062 1.9131 2.1589 2.1765 2.5825 2.5979 2.8871 2.9131 2.9195 2.9374 2.9709 3.0007 3.1023 3.1222 3.3417 3.3452 3.8811 3.8915 3.9538 3.9570 4.0511 4.0604 4.1918 4.1995 4.3059 4.3126 4.6258 4.6365 4.7754 4.7817 4.8728 4.8933 4.9152 4.9254 5.6214 5.6317 8.7364 8.7887 8.8031 8.8352 8.8948 8.9888 9.8953 9.9077 9.9643 9.9721 k = 0.0000 0.5296 0.4318 ( 7416 PWs) bands (ev): -5.7561 -5.7561 -5.6594 -5.6594 -5.0956 -5.0956 -5.0462 -5.0462 0.1719 0.1719 0.8100 0.8100 1.4300 1.4300 1.6724 1.6724 1.9106 1.9106 2.1652 2.1652 2.5907 2.5907 2.9003 2.9003 2.9295 2.9295 2.9854 2.9854 3.1117 3.1117 3.3435 3.3435 3.8862 3.8862 3.9559 3.9559 4.0559 4.0559 4.1955 4.1955 4.3089 4.3089 4.6373 4.6373 4.7807 4.7807 4.8778 4.8778 4.9192 4.9192 5.6230 5.6230 8.7778 8.7778 8.8157 8.8157 8.9458 8.9458 9.9098 9.9098 9.9634 9.9634 k = 0.0000 0.5296 0.4318 ( 7416 PWs) bands (ev): -5.7561 -5.7561 -5.6594 -5.6594 -5.0956 -5.0956 -5.0462 -5.0462 0.1719 0.1719 0.8100 0.8100 1.4300 1.4300 1.6724 1.6724 1.9106 1.9106 2.1652 2.1652 2.5907 2.5907 2.9003 2.9003 2.9295 2.9295 2.9854 2.9854 3.1117 3.1117 3.3435 3.3435 3.8862 3.8862 3.9559 3.9559 4.0559 4.0559 4.1955 4.1955 4.3089 4.3089 4.6373 4.6373 4.7807 4.7807 4.8778 4.8778 4.9192 4.9192 5.6230 5.6230 8.7778 8.7778 8.8157 8.8157 8.9458 8.9458 9.9098 9.9098 9.9634 9.9634 k = 0.0093 0.5165 0.4478 ( 7426 PWs) bands (ev): -5.7555 -5.7555 -5.6589 -5.6589 -5.0961 -5.0960 -5.0467 -5.0466 0.1682 0.1732 0.8057 0.8081 1.4191 1.4274 1.6759 1.6834 1.9065 1.9078 2.1570 2.1755 2.5945 2.5945 2.8992 2.9024 2.9250 2.9342 2.9832 2.9889 3.1089 3.1163 3.3413 3.3454 3.8853 3.8864 3.9534 3.9590 4.0551 4.0575 4.1834 4.2023 4.3025 4.3239 4.6381 4.6399 4.7760 4.7828 4.8728 4.8795 4.9190 4.9330 5.6219 5.6219 8.7710 8.7766 8.8132 8.8166 8.9401 8.9463 9.8985 9.9170 9.9660 9.9761 k = 0.0185 0.5035 0.4638 ( 7428 PWs) bands (ev): -5.7539 -5.7538 -5.6573 -5.6573 -5.0977 -5.0975 -5.0481 -5.0480 0.1621 0.1720 0.7951 0.7998 1.3983 1.4121 1.6928 1.7054 1.8960 1.8979 2.1522 2.1878 2.6051 2.6056 2.8993 2.9050 2.9219 2.9387 2.9825 2.9938 3.1082 3.1222 3.3389 3.3470 3.8836 3.8863 3.9517 3.9625 4.0551 4.0596 4.1693 4.2009 4.3078 4.3440 4.6424 4.6457 4.7688 4.7827 4.8710 4.8754 4.9346 4.9538 5.6185 5.6185 8.7551 8.7683 8.8099 8.8147 8.9301 8.9423 9.8889 9.9165 9.9859 9.9971 k = 0.0278 0.4905 0.4798 ( 7432 PWs) bands (ev): -5.7511 -5.7510 -5.6547 -5.6546 -5.1002 -5.1000 -5.0503 -5.0502 0.1539 0.1684 0.7790 0.7857 1.3713 1.3876 1.7178 1.7323 1.8811 1.8823 2.1521 2.2027 2.6210 2.6229 2.9002 2.9054 2.9226 2.9427 2.9836 3.0001 3.1097 3.1292 3.3365 3.3484 3.8808 3.8860 3.9512 3.9661 4.0560 4.0621 4.1554 4.1933 4.3229 4.3667 4.6505 4.6544 4.7598 4.7811 4.8715 4.8737 4.9592 4.9794 5.6128 5.6128 8.7305 8.7529 8.8047 8.8096 8.9187 8.9359 9.8816 9.9138 10.0141 10.0226 k = 0.0370 0.4774 0.4958 ( 7430 PWs) bands (ev): -5.7472 -5.7471 -5.6510 -5.6509 -5.1038 -5.1034 -5.0535 -5.0533 0.1437 0.1627 0.7579 0.7663 1.3409 1.3575 1.7415 1.7556 1.8673 1.8678 2.1578 2.2209 2.6406 2.6449 2.9018 2.9026 2.9282 2.9454 2.9873 3.0079 3.1134 3.1368 3.3341 3.3493 3.8771 3.8856 3.9518 3.9698 4.0580 4.0645 4.1428 4.1836 4.3443 4.3908 4.6625 4.6654 4.7500 4.7787 4.8710 4.8804 4.9895 5.0092 5.6048 5.6049 8.6984 8.7304 8.7957 8.8015 8.9092 8.9296 9.8752 9.9113 10.0390 10.0479 k = 0.0463 0.4644 0.5118 ( 7432 PWs) bands (ev): -5.7422 -5.7421 -5.6462 -5.6461 -5.1083 -5.1079 -5.0576 -5.0574 0.1320 0.1550 0.7326 0.7424 1.3085 1.3240 1.7483 1.7584 1.8692 1.8697 2.1691 2.2426 2.6623 2.6697 2.8986 2.9037 2.9365 2.9465 2.9940 3.0171 3.1192 3.1445 3.3318 3.3499 3.8725 3.8853 3.9535 3.9735 4.0609 4.0665 4.1322 4.1746 4.3693 4.4154 4.6772 4.6783 4.7402 4.7773 4.8745 4.8905 5.0241 5.0428 5.5946 5.5948 8.6602 8.7016 8.7818 8.7899 8.9043 8.9253 9.8678 9.9089 10.0459 10.0659 k = 0.0556 0.4514 0.5278 ( 7438 PWs) bands (ev): -5.7362 -5.7360 -5.6405 -5.6403 -5.1139 -5.1134 -5.0626 -5.0623 0.1189 0.1457 0.7040 0.7150 1.2748 1.2886 1.7292 1.7335 1.8953 1.8956 2.1857 2.2680 2.6846 2.6959 2.8946 2.9057 2.9464 2.9465 3.0034 3.0276 3.1268 3.1518 3.3298 3.3502 3.8674 3.8849 3.9560 3.9773 4.0644 4.0676 4.1243 4.1679 4.3967 4.4401 4.6873 4.6966 4.7323 4.7797 4.8818 4.9036 5.0621 5.0798 5.5823 5.5824 8.6176 8.6682 8.7633 8.7748 8.9042 8.9241 9.8565 9.9051 10.0338 10.0686 k = 0.0648 0.4383 0.5437 ( 7424 PWs) bands (ev): -5.7291 -5.7289 -5.6337 -5.6336 -5.1204 -5.1198 -5.0684 -5.0681 0.1050 0.1351 0.6728 0.6848 1.2403 1.2521 1.6941 1.6942 1.9333 1.9352 2.2066 2.2967 2.7064 2.7221 2.8912 2.9075 2.9461 2.9574 3.0148 3.0392 3.1360 3.1585 3.3283 3.3500 3.8621 3.8844 3.9591 3.9814 4.0676 4.0679 4.1199 4.1644 4.4261 4.4647 4.6922 4.7077 4.7360 4.7897 4.8929 4.9194 5.1030 5.1199 5.5679 5.5679 8.5724 8.6321 8.7417 8.7563 8.9080 8.9261 9.8378 9.8973 10.0113 10.0567 k = 0.0741 0.4253 0.5597 ( 7424 PWs) bands (ev): -5.7209 -5.7207 -5.6260 -5.6258 -5.1279 -5.1272 -5.0751 -5.0748 0.0906 0.1236 0.6397 0.6526 1.2053 1.2150 1.6482 1.6516 1.9758 1.9807 2.2312 2.3281 2.7267 2.7472 2.8888 2.9088 2.9466 2.9690 3.0273 3.0514 3.1464 3.1641 3.3275 3.3496 3.8568 3.8837 3.9623 3.9855 4.0666 4.0705 4.1201 4.1641 4.4572 4.4894 4.6906 4.7029 4.7597 4.8086 4.9073 4.9376 5.1461 5.1624 5.5513 5.5516 8.5262 8.5949 8.7181 8.7348 8.9144 8.9306 9.8080 9.8806 9.9817 10.0382 k = 0.0833 0.4122 0.5757 ( 7416 PWs) bands (ev): -5.7118 -5.7115 -5.6173 -5.6171 -5.1363 -5.1356 -5.0827 -5.0823 0.0760 0.1116 0.6053 0.6190 1.1701 1.1779 1.5989 1.6049 2.0202 2.0286 2.2586 2.3615 2.7445 2.7702 2.8878 2.9090 2.9489 2.9810 3.0403 3.0639 3.1578 3.1684 3.3275 3.3488 3.8519 3.8828 3.9652 3.9898 4.0655 4.0719 4.1253 4.1666 4.4902 4.5145 4.6840 4.6942 4.7909 4.8346 4.9249 4.9581 5.1908 5.2065 5.5329 5.5339 8.4801 8.5579 8.6933 8.7109 8.9223 8.9371 9.7656 9.8484 9.9469 10.0149 k = 0.0926 0.3992 0.5917 ( 7414 PWs) bands (ev): -5.7017 -5.7014 -5.6078 -5.6075 -5.1456 -5.1448 -5.0911 -5.0907 0.0617 0.0995 0.5701 0.5847 1.1351 1.1411 1.5478 1.5560 2.0654 2.0777 2.2882 2.3963 2.7593 2.7906 2.8887 2.9082 2.9536 2.9930 3.0530 3.0761 3.1698 3.1712 3.3285 3.3480 3.8475 3.8816 3.9675 3.9939 4.0651 4.0729 4.1347 4.1712 4.5250 4.5406 4.6745 4.6852 4.8253 4.8651 4.9457 4.9809 5.2364 5.2512 5.5128 5.5154 8.4352 8.5219 8.6678 8.6852 8.9311 8.9448 9.7123 9.7986 9.9082 9.9767 k = 0.1019 0.3862 0.6077 ( 7414 PWs) bands (ev): -5.6906 -5.6903 -5.5973 -5.5970 -5.1558 -5.1550 -5.1004 -5.0999 0.0479 0.0875 0.5345 0.5501 1.1005 1.1052 1.4959 1.5059 2.1106 2.1271 2.3193 2.4319 2.7705 2.8078 2.8918 2.9067 2.9604 3.0048 3.0650 3.0875 3.1727 3.1823 3.3306 3.3471 3.8438 3.8800 3.9685 3.9976 4.0664 4.0747 4.1470 4.1772 4.5619 4.5681 4.6636 4.6766 4.8618 4.8980 4.9696 5.0056 5.2820 5.2949 5.4916 5.4973 8.3922 8.4877 8.6416 8.6581 8.9400 8.9529 9.6518 9.7363 9.8662 9.9281 k = 0.1111 0.3731 0.6237 ( 7422 PWs) bands (ev): -5.6786 -5.6783 -5.5860 -5.5857 -5.1669 -5.1661 -5.1104 -5.1099 0.0350 0.0762 0.4989 0.5156 1.0668 1.0704 1.4439 1.4554 2.1555 2.1763 2.3515 2.4677 2.7780 2.8218 2.8972 2.9051 2.9688 3.0159 3.0759 3.0975 3.1731 3.1947 3.3338 3.3465 3.8409 3.8783 3.9682 4.0005 4.0701 4.0782 4.1610 4.1838 4.5967 4.6004 4.6523 4.6694 4.8990 4.9318 4.9965 5.0322 5.3263 5.3348 5.4702 5.4822 8.3517 8.4556 8.6147 8.6298 8.9485 8.9608 9.5872 9.6676 9.8225 9.8774 k = 0.1204 0.3601 0.6397 ( 7424 PWs) bands (ev): -5.6658 -5.6654 -5.5740 -5.5736 -5.1789 -5.1780 -5.1213 -5.1208 0.0232 0.0656 0.4636 0.4814 1.0344 1.0373 1.3922 1.4050 2.1998 2.2249 2.3843 2.5029 2.7822 2.8324 2.9040 2.9045 2.9780 3.0256 3.0856 3.1056 3.1732 3.2066 3.3380 3.3465 3.8388 3.8763 3.9666 4.0025 4.0764 4.0838 4.1757 4.1909 4.6233 4.6339 4.6479 4.6673 4.9360 4.9653 5.0262 5.0603 5.3644 5.3662 5.4516 5.4763 8.3139 8.4258 8.5868 8.6006 8.9560 8.9676 9.5208 9.5964 9.7795 9.8282 k = 0.1296 0.3470 0.6557 ( 7414 PWs) bands (ev): -5.6522 -5.6518 -5.5612 -5.5608 -5.1916 -5.1906 -5.1329 -5.1323 0.0128 0.0563 0.4286 0.4477 1.0035 1.0061 1.3415 1.3552 2.2431 2.2728 2.4172 2.5371 2.7837 2.8397 2.9042 2.9135 2.9870 3.0330 3.0941 3.1117 3.1735 3.2173 3.3431 3.3475 3.8376 3.8743 3.9638 4.0036 4.0851 4.0918 4.1904 4.1980 4.6272 4.6352 4.6833 4.6856 4.9716 4.9980 5.0577 5.0895 5.3756 5.3899 5.4479 5.4883 8.2792 8.3983 8.5579 8.5707 8.9619 8.9725 9.4541 9.5251 9.7394 9.7828 k = 0.1389 0.3340 0.6717 ( 7418 PWs) bands (ev): -5.6378 -5.6373 -5.5477 -5.5473 -5.2050 -5.2041 -5.1452 -5.1447 0.0040 0.0482 0.3943 0.4148 0.9747 0.9772 1.2919 1.3065 2.2851 2.3198 2.4500 2.5697 2.7832 2.8439 2.9060 2.9235 2.9950 3.0372 3.1013 3.1157 3.1749 3.2263 3.3489 3.3498 3.8371 3.8722 3.9602 4.0040 4.0959 4.1020 4.2045 4.2051 4.6169 4.6333 4.7161 4.7283 5.0047 5.0298 5.0894 5.1194 5.3718 5.3844 5.4724 5.5151 8.2477 8.3732 8.5276 8.5403 8.9658 8.9748 9.3884 9.4548 9.7043 9.7428 k = 0.1481 0.3210 0.6877 ( 7416 PWs) bands (ev): -5.6227 -5.6222 -5.5336 -5.5332 -5.2192 -5.2182 -5.1582 -5.1577 -0.0030 0.0418 0.3607 0.3827 0.9483 0.9509 1.2439 1.2591 2.3258 2.3657 2.4824 2.6004 2.7812 2.8453 2.9095 2.9342 3.0013 3.0371 3.1076 3.1183 3.1775 3.2333 3.3536 3.3553 3.8375 3.8702 3.9561 4.0038 4.1084 4.1141 4.2121 4.2174 4.6077 4.6288 4.7535 4.7706 5.0342 5.0607 5.1193 5.1494 5.3645 5.3709 5.5054 5.5465 8.2195 8.3502 8.4962 8.5099 8.9672 8.9739 9.3245 9.3865 9.6760 9.7096 k = 0.1574 0.3079 0.7037 ( 7420 PWs) bands (ev): -5.6069 -5.6064 -5.5190 -5.5186 -5.2339 -5.2329 -5.1719 -5.1713 -0.0081 0.0371 0.3280 0.3515 0.9246 0.9276 1.1977 1.2134 2.3647 2.4104 2.5142 2.6286 2.7781 2.8446 2.9140 2.9452 3.0058 3.0323 3.1131 3.1199 3.1811 3.2381 3.3590 3.3621 3.8385 3.8682 3.9517 4.0033 4.1220 4.1277 4.2190 4.2291 4.6002 4.6246 4.7908 4.8103 5.0595 5.0907 5.1458 5.1790 5.3604 5.3610 5.5369 5.5766 8.1946 8.3294 8.4636 8.4797 8.9658 8.9693 9.2631 9.3209 9.6559 9.6845 k = 0.1667 0.2949 0.7197 ( 7420 PWs) bands (ev): -5.5906 -5.5901 -5.5040 -5.5036 -5.2492 -5.2482 -5.1861 -5.1855 -0.0112 0.0343 0.2962 0.3212 0.9039 0.9074 1.1536 1.1697 2.4018 2.4539 2.5454 2.6542 2.7743 2.8423 2.9187 2.9564 3.0085 3.0232 3.1178 3.1207 3.1856 3.2410 3.3654 3.3690 3.8402 3.8663 3.9473 4.0026 4.1360 4.1426 4.2259 4.2392 4.5950 4.6216 4.8238 4.8445 5.0818 5.1195 5.1685 5.2081 5.3588 5.3629 5.5644 5.6027 8.1730 8.3105 8.4304 8.4502 8.9612 8.9612 9.2048 9.2585 9.6451 9.6685 k = 0.1759 0.2818 0.7357 ( 7418 PWs) bands (ev): -5.5737 -5.5732 -5.4887 -5.4882 -5.2649 -5.2638 -5.2009 -5.2003 -0.0122 0.0335 0.2655 0.2921 0.8865 0.8906 1.1118 1.1283 2.4365 2.4959 2.5760 2.6771 2.7699 2.8391 2.9223 2.9673 3.0102 3.0106 3.1204 3.1217 3.1906 3.2424 3.3725 3.3759 3.8422 3.8646 3.9429 4.0019 4.1500 4.1583 4.2328 4.2479 4.5927 4.6205 4.8479 4.8695 5.1044 5.1467 5.1893 5.2367 5.3655 5.3722 5.5868 5.6235 8.1546 8.2934 8.3970 8.4220 8.9502 8.9537 9.1502 9.1998 9.6439 9.6623 k = 0.1852 0.2688 0.7516 ( 7422 PWs) bands (ev): -5.5564 -5.5559 -5.4733 -5.4728 -5.2808 -5.2798 -5.2162 -5.2156 -0.0111 0.0347 0.2360 0.2641 0.8725 0.8774 1.0725 1.0892 2.4687 2.5365 2.6060 2.6972 2.7653 2.8352 2.9230 2.9761 2.9968 3.0120 3.1189 3.1247 3.1957 3.2429 3.3796 3.3825 3.8447 3.8630 3.9386 4.0012 4.1631 4.1743 4.2397 4.2551 4.5939 4.6216 4.8592 4.8820 5.1312 5.1731 5.2109 5.2645 5.3794 5.3870 5.6033 5.6379 8.1395 8.2782 8.3641 8.3956 8.9373 8.9438 9.0999 9.1451 9.6521 9.6663 k = 0.1944 0.2558 0.7676 ( 7418 PWs) bands (ev): -5.5388 -5.5382 -5.4580 -5.4575 -5.2966 -5.2956 -5.2318 -5.2313 -0.0077 0.0380 0.2078 0.2373 0.8623 0.8678 1.0360 1.0529 2.4978 2.5755 2.6355 2.7148 2.7604 2.8308 2.9196 2.9698 2.9957 3.0152 3.1160 3.1268 3.2007 3.2429 3.3865 3.3886 3.8473 3.8617 3.9347 4.0005 4.1748 4.1901 4.2466 4.2608 4.5992 4.6254 4.8568 4.8807 5.1637 5.2001 5.2345 5.2917 5.3980 5.4053 5.6137 5.6454 8.1276 8.2647 8.3327 8.3716 8.9239 8.9323 9.0543 9.0950 9.6690 9.6799 k = 0.2037 0.2427 0.7836 ( 7430 PWs) bands (ev): -5.5209 -5.5203 -5.4433 -5.4428 -5.3120 -5.3110 -5.2478 -5.2473 -0.0023 0.0435 0.1811 0.2118 0.8558 0.8619 1.0024 1.0195 2.5235 2.6125 2.6644 2.7301 2.7558 2.8262 2.9114 2.9504 3.0052 3.0202 3.1119 3.1278 3.2053 3.2426 3.3927 3.3941 3.8499 3.8605 3.9310 4.0000 4.1846 4.2052 4.2531 4.2652 4.6091 4.6323 4.8435 4.8674 5.1997 5.2277 5.2589 5.3179 5.4193 5.4253 5.6175 5.6456 8.1186 8.2530 8.3036 8.3505 8.9116 8.9205 9.0140 9.0498 9.6937 9.7024 k = 0.2130 0.2297 0.7996 ( 7422 PWs) bands (ev): -5.5030 -5.5023 -5.4302 -5.4298 -5.3258 -5.3250 -5.2639 -5.2634 0.0052 0.0510 0.1560 0.1877 0.8531 0.8597 0.9719 0.9894 2.5455 2.6473 2.6923 2.7434 2.7521 2.8214 2.8989 2.9280 3.0157 3.0265 3.1067 3.1278 3.2094 3.2423 3.3979 3.3988 3.8525 3.8596 3.9277 3.9995 4.1925 4.2191 4.2590 4.2683 4.6237 4.6425 4.8228 4.8454 5.2348 5.2536 5.2825 5.3430 5.4424 5.4463 5.6149 5.6386 8.1124 8.2431 8.2776 8.3328 8.9018 8.9097 8.9792 9.0099 9.7248 9.7324 k = 0.2222 0.2166 0.8156 ( 7426 PWs) bands (ev): -5.4850 -5.4844 -5.4206 -5.4203 -5.3363 -5.3356 -5.2801 -5.2796 0.0144 0.0604 0.1331 0.1653 0.8544 0.8610 0.9448 0.9627 2.5633 2.6790 2.7167 2.7521 2.7552 2.8163 2.8832 2.9040 3.0258 3.0330 3.1008 3.1271 3.2127 3.2420 3.4021 3.4026 3.8546 3.8588 3.9250 3.9991 4.1984 4.2311 4.2639 4.2701 4.6430 4.6564 4.7978 4.8179 5.2649 5.2753 5.3036 5.3662 5.4672 5.4688 5.6058 5.6246 8.1087 8.2353 8.2558 8.3188 8.8956 8.9011 8.9504 8.9756 9.7608 9.7682 k = 0.2315 0.2036 0.8316 ( 7434 PWs) bands (ev): -5.4674 -5.4668 -5.4176 -5.4175 -5.3401 -5.3397 -5.2960 -5.2956 0.0248 0.0716 0.1128 0.1449 0.8593 0.8652 0.9212 0.9402 2.5765 2.7057 2.7291 2.7638 2.7664 2.8110 2.8664 2.8793 3.0348 3.0388 3.0949 3.1260 3.2151 3.2419 3.4052 3.4054 3.8564 3.8583 3.9229 3.9988 4.2025 4.2406 4.2674 4.2707 4.6665 4.6738 4.7710 4.7874 5.2871 5.2914 5.3199 5.3854 5.4934 5.4936 5.5910 5.6045 8.1068 8.2295 8.2390 8.3087 8.8941 8.8959 8.9278 8.9473 9.8002 9.8075 k = 0.2407 0.1906 0.8476 ( 7430 PWs) bands (ev): -5.4506 -5.4500 -5.4233 -5.4230 -5.3355 -5.3355 -5.3113 -5.3109 0.0346 0.0833 0.0970 0.1275 0.8675 0.8710 0.9018 0.9235 2.5846 2.7242 2.7309 2.7782 2.7851 2.8044 2.8518 2.8558 3.0415 3.0427 3.0900 3.1250 3.2166 3.2418 3.4071 3.4071 3.8575 3.8580 3.9216 3.9987 4.2049 4.2470 4.2696 4.2705 4.6934 4.6946 4.7440 4.7559 5.3004 5.3014 5.3300 5.3981 5.5202 5.5214 5.5714 5.5793 8.1061 8.2260 8.2284 8.3026 8.8949 8.8978 8.9118 8.9253 9.8408 9.8469 k = 0.2500 0.1775 0.8636 ( 7440 PWs) bands (ev): -5.4363 -5.4353 -5.4344 -5.4344 -5.3256 -5.3256 -5.3244 -5.3239 0.0393 0.0903 0.0903 0.1187 0.8743 0.8743 0.8912 0.9165 2.5874 2.7308 2.7308 2.7870 2.7981 2.7981 2.8426 2.8457 3.0441 3.0441 3.0880 3.1246 3.2170 3.2418 3.4077 3.4077 3.8579 3.8579 3.9212 3.9986 4.2057 4.2493 4.2703 4.2703 4.7175 4.7175 4.7189 4.7302 5.3048 5.3048 5.3334 5.4024 5.5417 5.5493 5.5523 5.5523 8.1060 8.2248 8.2248 8.3006 8.8966 8.9042 8.9042 8.9127 9.8717 9.8717 k = 0.2500 0.1775 0.8636 ( 7440 PWs) bands (ev): -5.4363 -5.4353 -5.4344 -5.4344 -5.3256 -5.3256 -5.3244 -5.3239 0.0393 0.0903 0.0903 0.1187 0.8743 0.8743 0.8912 0.9165 2.5874 2.7308 2.7308 2.7870 2.7981 2.7981 2.8426 2.8457 3.0441 3.0441 3.0880 3.1246 3.2170 3.2418 3.4077 3.4077 3.8579 3.8579 3.9212 3.9986 4.2057 4.2493 4.2703 4.2703 4.7175 4.7175 4.7189 4.7302 5.3048 5.3048 5.3334 5.4024 5.5417 5.5493 5.5523 5.5523 8.1060 8.2248 8.2248 8.3006 8.8966 8.9042 8.9042 8.9127 9.8717 9.8717 k = 0.2647 0.1880 0.8508 ( 7435 PWs) bands (ev): -5.4432 -5.4426 -5.4284 -5.4281 -5.3316 -5.3314 -5.3175 -5.3172 0.0370 0.0864 0.0921 0.1210 0.8716 0.8775 0.8970 0.9207 2.5820 2.7009 2.7459 2.7760 2.7854 2.8122 2.8512 2.8573 3.0435 3.0441 3.0887 3.1253 3.2169 3.2418 3.4023 3.4113 3.8496 3.8671 3.9212 3.9987 4.2049 4.2475 4.2633 4.2754 4.7014 4.7082 4.7329 4.7465 5.3003 5.3083 5.3325 5.4018 5.5343 5.5356 5.5643 5.5652 8.1000 8.2182 8.2201 8.2944 8.9001 8.9054 8.9086 8.9211 9.8600 9.8647 k = 0.2794 0.1984 0.8380 ( 7431 PWs) bands (ev): -5.4507 -5.4501 -5.4234 -5.4232 -5.3370 -5.3369 -5.3097 -5.3093 0.0308 0.0776 0.0962 0.1260 0.8728 0.8826 0.9100 0.9315 2.5673 2.6662 2.7328 2.7522 2.7907 2.8228 2.8668 2.8840 3.0428 3.0431 3.0908 3.1275 3.2166 3.2418 3.3953 3.4130 3.8424 3.8769 3.9215 3.9988 4.2026 4.2408 4.2573 4.2779 4.6854 4.6937 4.7517 4.7718 5.2950 5.3108 5.3303 5.3995 5.5227 5.5327 5.5777 5.5791 8.0799 8.1987 8.2049 8.2795 8.9135 8.9147 8.9220 8.9399 9.8446 9.8531 k = 0.2941 0.2089 0.8252 ( 7428 PWs) bands (ev): -5.4577 -5.4571 -5.4197 -5.4196 -5.3414 -5.3414 -5.3023 -5.3017 0.0226 0.0668 0.1017 0.1315 0.8788 0.8922 0.9270 0.9472 2.5451 2.6289 2.7080 2.7234 2.8011 2.8341 2.8870 2.9087 3.0411 3.0422 3.0945 3.1311 3.2159 3.2419 3.3871 3.4127 3.8365 3.8868 3.9219 3.9991 4.1991 4.2300 4.2523 4.2776 4.6710 4.6799 4.7727 4.7981 5.2892 5.3113 5.3281 5.3956 5.5164 5.5356 5.5897 5.5921 8.0443 8.1577 8.1887 8.2619 8.9316 8.9410 8.9433 8.9657 9.8313 9.8427 k = 0.3088 0.2193 0.8124 ( 7420 PWs) bands (ev): -5.4642 -5.4636 -5.4170 -5.4170 -5.3448 -5.3448 -5.2957 -5.2951 0.0138 0.0558 0.1077 0.1366 0.8894 0.9060 0.9470 0.9667 2.5175 2.5899 2.6803 2.6926 2.8123 2.8457 2.9068 2.9291 3.0384 3.0415 3.0994 3.1360 3.2149 3.2421 3.3779 3.4102 3.8321 3.8964 3.9228 3.9995 4.1944 4.2176 4.2466 4.2748 4.6590 4.6679 4.7934 4.8228 5.2831 5.3078 5.3281 5.3909 5.5156 5.5430 5.6012 5.6041 7.9958 8.1008 8.1716 8.2437 8.9589 8.9677 8.9808 8.9977 9.8200 9.8339 k = 0.3235 0.2297 0.7996 ( 7424 PWs) bands (ev): -5.4700 -5.4694 -5.4149 -5.4148 -5.3474 -5.3474 -5.2904 -5.2898 0.0059 0.0457 0.1138 0.1410 0.9039 0.9233 0.9695 0.9893 2.4862 2.5499 2.6513 2.6608 2.8242 2.8572 2.9236 2.9450 3.0352 3.0410 3.1053 3.1419 3.2135 3.2424 3.3680 3.4057 3.8291 3.9048 3.9245 3.9999 4.1890 4.2048 4.2397 4.2696 4.6498 4.6581 4.8115 4.8435 5.2770 5.3007 5.3306 5.3861 5.5195 5.5523 5.6136 5.6155 7.9395 8.0349 8.1539 8.2244 8.9938 8.9986 9.0273 9.0348 9.8102 9.8264 k = 0.3382 0.2402 0.7868 ( 7418 PWs) bands (ev): -5.4750 -5.4745 -5.4132 -5.4130 -5.3491 -5.3490 -5.2868 -5.2861 -0.0002 0.0374 0.1198 0.1448 0.9214 0.9432 0.9939 1.0142 2.4528 2.5096 2.6220 2.6289 2.8366 2.8682 2.9368 2.9568 3.0318 3.0406 3.1115 3.1484 3.2121 3.2429 3.3578 3.3994 3.8274 3.9106 3.9281 4.0005 4.1828 4.1921 4.2316 4.2624 4.6435 4.6507 4.8249 4.8584 5.2712 5.2922 5.3344 5.3819 5.5263 5.5597 5.6270 5.6291 7.8808 7.9661 8.1352 8.2038 9.0336 9.0345 9.0763 9.0797 9.8016 9.8197 k = 0.3529 0.2506 0.7739 ( 7428 PWs) bands (ev): -5.4791 -5.4786 -5.4117 -5.4115 -5.3499 -5.3499 -5.2850 -5.2843 -0.0039 0.0316 0.1257 0.1481 0.9412 0.9648 1.0197 1.0407 2.4186 2.4697 2.5930 2.5977 2.8493 2.8784 2.9466 2.9650 3.0281 3.0402 3.1176 3.1543 3.2111 3.2437 3.3475 3.3913 3.8270 3.9131 3.9342 4.0011 4.1762 4.1796 4.2229 4.2535 4.6400 4.6456 4.8325 4.8667 5.2662 5.2835 5.3387 5.3784 5.5336 5.5627 5.6395 5.6482 7.8247 7.8993 8.1157 8.1820 9.0721 9.0796 9.1216 9.1363 9.7938 9.8133 k = 0.3676 0.2611 0.7611 ( 7435 PWs) bands (ev): -5.4823 -5.4818 -5.4105 -5.4102 -5.3500 -5.3499 -5.2852 -5.2844 -0.0044 0.0288 0.1313 0.1509 0.9624 0.9871 1.0462 1.0679 2.3848 2.4310 2.5651 2.5677 2.8618 2.8877 2.9535 2.9705 3.0245 3.0400 3.1229 3.1584 3.2113 3.2449 3.3373 3.3819 3.8278 3.9132 3.9417 4.0019 4.1674 4.1690 4.2139 4.2436 4.6390 4.6425 4.8335 4.8679 5.2620 5.2756 5.3435 5.3761 5.5388 5.5610 5.6531 5.6688 7.7753 7.8386 8.0956 8.1595 9.1136 9.1276 9.1700 9.1957 9.7867 9.8070 k = 0.3824 0.2715 0.7483 ( 7436 PWs) bands (ev): -5.4844 -5.4840 -5.4096 -5.4092 -5.3493 -5.3492 -5.2872 -5.2864 -0.0014 0.0295 0.1368 0.1534 0.9843 1.0095 1.0727 1.0949 2.3526 2.3943 2.5389 2.5398 2.8738 2.8958 2.9578 2.9736 3.0209 3.0400 3.1271 3.1594 3.2136 3.2464 3.3273 3.3714 3.8295 3.9119 3.9494 4.0026 4.1555 4.1615 4.2054 4.2329 4.6398 4.6410 4.8282 4.8624 5.2590 5.2690 5.3484 5.3748 5.5405 5.5553 5.6665 5.6874 7.7363 7.7876 8.0751 8.1367 9.1576 9.1774 9.2209 9.2567 9.7801 9.8006 k = 0.3971 0.2819 0.7355 ( 7434 PWs) bands (ev): -5.4855 -5.4851 -5.4091 -5.4087 -5.3479 -5.3478 -5.2910 -5.2902 0.0053 0.0339 0.1423 0.1557 1.0061 1.0310 1.0984 1.1206 2.3231 2.3605 2.5146 2.5151 2.8849 2.9024 2.9601 2.9748 3.0177 3.0403 3.1299 3.1567 3.2184 3.2484 3.3178 3.3601 3.8321 3.9096 3.9570 4.0034 4.1440 4.1538 4.1974 4.2219 4.6408 4.6421 4.8172 4.8509 5.2572 5.2639 5.3535 5.3745 5.5382 5.5463 5.6772 5.7006 7.7109 7.7494 8.0547 8.1138 9.2035 9.2280 9.2740 9.3184 9.7739 9.7938 k = 0.4118 0.2924 0.7227 ( 7434 PWs) bands (ev): -5.4854 -5.4851 -5.4093 -5.4089 -5.3458 -5.3457 -5.2962 -5.2955 0.0161 0.0422 0.1477 0.1579 1.0271 1.0511 1.1225 1.1443 2.2974 2.3305 2.4927 2.4942 2.8948 2.9077 2.9605 2.9744 3.0152 3.0408 3.1311 3.1510 3.2250 3.2507 3.3089 3.3481 3.8355 3.9061 3.9643 4.0040 4.1332 4.1459 4.1903 4.2108 4.6413 4.6453 4.8011 4.8342 5.2566 5.2604 5.3583 5.3749 5.5327 5.5351 5.6822 5.7055 7.7011 7.7264 8.0346 8.0912 9.2507 9.2781 9.3284 9.3794 9.7677 9.7862 k = 0.4265 0.3028 0.7099 ( 7429 PWs) bands (ev): -5.4843 -5.4840 -5.4107 -5.4103 -5.3429 -5.3428 -5.3024 -5.3016 0.0307 0.0543 0.1532 0.1602 1.0467 1.0691 1.1443 1.1648 2.2765 2.3050 2.4747 2.4769 2.9032 2.9114 2.9593 2.9725 3.0135 3.0414 3.1307 3.1431 3.2324 3.2532 3.3005 3.3356 3.8394 3.9017 3.9710 4.0043 4.1235 4.1381 4.1839 4.2000 4.6423 4.6491 4.7811 4.8131 5.2573 5.2586 5.3626 5.3754 5.5226 5.5252 5.6788 5.7003 7.7084 7.7202 8.0151 8.0693 9.2984 9.3264 9.3836 9.4384 9.7613 9.7776 k = 0.4412 0.3133 0.6971 ( 7425 PWs) bands (ev): -5.4819 -5.4816 -5.4140 -5.4136 -5.3394 -5.3393 -5.3087 -5.3080 0.0492 0.0701 0.1587 0.1627 1.0647 1.0845 1.1629 1.1815 2.2610 2.2847 2.4611 2.4635 2.9098 2.9136 2.9568 2.9692 3.0130 3.0415 3.1287 3.1340 3.2401 3.2557 3.2929 3.3229 3.8440 3.8962 3.9770 4.0041 4.1153 4.1304 4.1782 4.1898 4.6435 4.6530 4.7580 4.7884 5.2583 5.2592 5.3654 5.3748 5.5104 5.5170 5.6654 5.6842 7.7313 7.7325 7.9966 8.0483 9.3456 9.3713 9.4385 9.4933 9.7541 9.7676 k = 0.4559 0.3237 0.6843 ( 7429 PWs) bands (ev): -5.4784 -5.4781 -5.4201 -5.4197 -5.3353 -5.3352 -5.3142 -5.3137 0.0713 0.0890 0.1646 0.1656 1.0806 1.0970 1.1781 1.1936 2.2517 2.2700 2.4520 2.4543 2.9140 2.9145 2.9533 2.9647 3.0135 3.0402 3.1250 3.1253 3.2473 3.2581 3.2862 3.3103 3.8490 3.8898 3.9824 4.0032 4.1089 4.1229 4.1731 4.1802 4.6447 4.6567 4.7327 4.7610 5.2592 5.2617 5.3656 5.3716 5.5006 5.5100 5.6420 5.6579 7.7591 7.7722 7.9796 8.0284 9.3906 9.4106 9.4917 9.5410 9.7458 9.7562 k = 0.4706 0.3342 0.6715 ( 7435 PWs) bands (ev): -5.4737 -5.4735 -5.4297 -5.4294 -5.3305 -5.3304 -5.3181 -5.3176 0.0962 0.1102 0.1697 0.1710 1.0943 1.1063 1.1897 1.2011 2.2487 2.2613 2.4476 2.4495 2.9140 2.9154 2.9496 2.9590 3.0148 3.0362 3.1172 3.1207 3.2535 3.2599 3.2810 3.2980 3.8545 3.8826 3.9870 4.0013 4.1045 4.1156 4.1683 4.1719 4.6457 4.6599 4.7063 4.7316 5.2607 5.2641 5.3619 5.3644 5.4951 5.5058 5.6097 5.6231 7.8015 7.8244 7.9650 8.0102 9.4301 9.4414 9.5405 9.5766 9.7364 9.7442 k = 0.4853 0.3446 0.6587 ( 7434 PWs) bands (ev): -5.4678 -5.4676 -5.4432 -5.4430 -5.3251 -5.3250 -5.3197 -5.3194 0.1226 0.1311 0.1768 0.1789 1.1059 1.1124 1.1978 1.2041 2.2518 2.2582 2.4478 2.4489 2.9121 2.9136 2.9468 2.9525 3.0162 3.0285 3.1118 3.1151 3.2571 3.2602 3.2785 3.2872 3.8605 3.8749 3.9907 3.9982 4.1023 4.1086 4.1640 4.1650 4.6463 4.6604 4.6813 4.7011 5.2613 5.2643 5.3541 5.3541 5.4940 5.5033 5.5729 5.5829 7.8553 7.8818 7.9578 7.9946 9.4577 9.4599 9.5784 9.5937 9.7275 9.7333 k = 0.5000 0.3550 0.6459 ( 7442 PWs) bands (ev): -5.4609 -5.4609 -5.4603 -5.4603 -5.3195 -5.3195 -5.3185 -5.3185 0.1469 0.1469 0.1913 0.1913 1.1153 1.1153 1.2033 1.2033 2.2604 2.2604 2.4522 2.4522 2.9085 2.9085 2.9452 2.9452 3.0169 3.0169 3.1090 3.1090 3.2570 3.2570 3.2797 3.2797 3.8668 3.8668 3.9937 3.9937 4.1019 4.1019 4.1599 4.1599 4.6450 4.6450 4.6716 4.6716 5.2585 5.2585 5.3442 5.3442 5.4903 5.4903 5.5467 5.5467 7.9122 7.9122 7.9870 7.9870 9.4616 9.4616 9.5889 9.5889 9.7240 9.7240 k = 0.5000 0.3550 0.6459 ( 7442 PWs) bands (ev): -5.4609 -5.4609 -5.4603 -5.4603 -5.3195 -5.3195 -5.3185 -5.3185 0.1469 0.1469 0.1913 0.1913 1.1153 1.1153 1.2033 1.2033 2.2604 2.2604 2.4522 2.4522 2.9085 2.9085 2.9452 2.9452 3.0169 3.0169 3.1090 3.1090 3.2570 3.2570 3.2797 3.2797 3.8668 3.8668 3.9937 3.9937 4.1019 4.1019 4.1599 4.1599 4.6450 4.6450 4.6716 4.6716 5.2585 5.2585 5.3442 5.3442 5.4903 5.4903 5.5467 5.5467 7.9122 7.9122 7.9870 7.9870 9.4616 9.4616 9.5889 9.5889 9.7240 9.7240 k = 0.5000 0.3550 0.6228 ( 7434 PWs) bands (ev): -5.4725 -5.4725 -5.4720 -5.4720 -5.3113 -5.3113 -5.3103 -5.3103 0.1766 0.1766 0.2241 0.2241 1.1252 1.1252 1.2060 1.2060 2.2751 2.2751 2.4631 2.4631 2.8980 2.8980 2.9373 2.9373 3.0049 3.0049 3.1016 3.1016 3.2500 3.2500 3.2780 3.2780 3.8657 3.8657 3.9912 3.9912 4.0963 4.0963 4.1529 4.1529 4.6186 4.6186 4.6467 4.6467 5.2436 5.2436 5.3274 5.3274 5.4564 5.4564 5.5127 5.5127 7.9644 7.9644 8.0421 8.0421 9.4189 9.4189 9.5367 9.5367 9.7284 9.7284 k = 0.5000 0.3550 0.5997 ( 7436 PWs) bands (ev): -5.4860 -5.4860 -5.4855 -5.4855 -5.3011 -5.3011 -5.3000 -5.3000 0.2062 0.2062 0.2570 0.2570 1.1373 1.1373 1.2102 1.2102 2.2909 2.2909 2.4748 2.4748 2.8869 2.8869 2.9289 2.9289 2.9927 2.9927 3.0936 3.0936 3.2424 3.2424 3.2760 3.2760 3.8648 3.8648 3.9885 3.9885 4.0904 4.0904 4.1464 4.1464 4.5918 4.5918 4.6218 4.6218 5.2279 5.2279 5.3091 5.3091 5.4248 5.4248 5.4805 5.4805 8.0180 8.0180 8.0984 8.0984 9.3445 9.3445 9.4526 9.4526 9.7361 9.7361 k = 0.5000 0.3550 0.5767 ( 7424 PWs) bands (ev): -5.5011 -5.5011 -5.5007 -5.5007 -5.2892 -5.2892 -5.2880 -5.2880 0.2347 0.2347 0.2890 0.2890 1.1520 1.1520 1.2167 1.2167 2.3078 2.3078 2.4874 2.4874 2.8755 2.8755 2.9201 2.9201 2.9808 2.9808 3.0850 3.0850 3.2345 3.2345 3.2736 3.2736 3.8642 3.8642 3.9857 3.9857 4.0842 4.0842 4.1408 4.1408 4.5651 4.5651 4.5973 4.5973 5.2114 5.2114 5.2898 5.2898 5.3955 5.3955 5.4504 5.4504 8.0718 8.0718 8.1545 8.1545 9.2572 9.2572 9.3566 9.3566 9.7298 9.7298 k = 0.5000 0.3550 0.5536 ( 7432 PWs) bands (ev): -5.5174 -5.5174 -5.5170 -5.5170 -5.2757 -5.2757 -5.2746 -5.2746 0.2610 0.2610 0.3189 0.3189 1.1697 1.1697 1.2262 1.2262 2.3257 2.3257 2.5006 2.5006 2.8638 2.8638 2.9109 2.9109 2.9692 2.9692 3.0761 3.0761 3.2265 3.2265 3.2707 3.2707 3.8639 3.8639 3.9827 3.9827 4.0777 4.0777 4.1361 4.1361 4.5388 4.5388 4.5738 4.5738 5.1944 5.1944 5.2696 5.2696 5.3688 5.3688 5.4225 5.4225 8.1245 8.1245 8.2090 8.2090 9.1647 9.1647 9.2555 9.2555 9.7033 9.7033 k = 0.5000 0.3550 0.5305 ( 7438 PWs) bands (ev): -5.5347 -5.5347 -5.5343 -5.5343 -5.2611 -5.2611 -5.2599 -5.2599 0.2842 0.2842 0.3458 0.3458 1.1906 1.1906 1.2397 1.2397 2.3444 2.3444 2.5145 2.5145 2.8523 2.8523 2.9016 2.9016 2.9583 2.9583 3.0670 3.0670 3.2187 3.2187 3.2674 3.2674 3.8641 3.8641 3.9795 3.9795 4.0710 4.0710 4.1323 4.1323 4.5134 4.5134 4.5517 4.5517 5.1771 5.1771 5.2492 5.2492 5.3443 5.3443 5.3970 5.3970 8.1746 8.1746 8.2599 8.2599 9.0712 9.0712 9.1527 9.1527 9.6581 9.6581 k = 0.5000 0.3550 0.5075 ( 7432 PWs) bands (ev): -5.5527 -5.5527 -5.5522 -5.5522 -5.2454 -5.2454 -5.2441 -5.2441 0.3035 0.3035 0.3685 0.3685 1.2149 1.2149 1.2581 1.2581 2.3637 2.3637 2.5289 2.5289 2.8413 2.8413 2.8923 2.8923 2.9482 2.9482 3.0578 3.0578 3.2112 3.2112 3.2635 3.2635 3.8648 3.8648 3.9762 3.9762 4.0642 4.0642 4.1294 4.1294 4.4894 4.4894 4.5317 4.5317 5.1597 5.1597 5.2290 5.2290 5.3219 5.3219 5.3736 5.3736 8.2201 8.2201 8.3049 8.3049 8.9793 8.9793 9.0501 9.0501 9.5987 9.5987 k = 0.5000 0.3550 0.4844 ( 7432 PWs) bands (ev): -5.5711 -5.5711 -5.5706 -5.5706 -5.2288 -5.2288 -5.2275 -5.2275 0.3182 0.3182 0.3860 0.3860 1.2424 1.2424 1.2823 1.2823 2.3835 2.3835 2.5436 2.5436 2.8310 2.8310 2.8833 2.8833 2.9392 2.9392 3.0489 3.0489 3.2040 3.2040 3.2591 3.2591 3.8659 3.8659 3.9729 3.9729 4.0575 4.0575 4.1268 4.1268 4.4672 4.4672 4.5139 4.5139 5.1424 5.1424 5.2093 5.2093 5.3013 5.3013 5.3523 5.3523 8.2591 8.2591 8.3412 8.3412 8.8913 8.8913 8.9496 8.9496 9.5303 9.5303 k = 0.5000 0.3550 0.4613 ( 7436 PWs) bands (ev): -5.5897 -5.5897 -5.5893 -5.5893 -5.2116 -5.2116 -5.2103 -5.2103 0.3278 0.3278 0.3978 0.3978 1.2729 1.2729 1.3127 1.3127 2.4036 2.4036 2.5586 2.5586 2.8218 2.8218 2.8749 2.8749 2.9315 2.9315 3.0404 3.0404 3.1973 3.1973 3.2544 3.2544 3.8676 3.8676 3.9695 3.9695 4.0508 4.0508 4.1241 4.1241 4.4476 4.4476 4.4988 4.4988 5.1252 5.1252 5.1904 5.1904 5.2824 5.2824 5.3329 5.3329 8.2888 8.2888 8.3652 8.3652 8.8095 8.8095 8.8532 8.8532 9.4577 9.4577 k = 0.5000 0.3550 0.4383 ( 7432 PWs) bands (ev): -5.6084 -5.6084 -5.6080 -5.6080 -5.1937 -5.1937 -5.1924 -5.1924 0.3322 0.3322 0.4035 0.4035 1.3067 1.3067 1.3491 1.3491 2.4238 2.4238 2.5735 2.5735 2.8138 2.8138 2.8673 2.8673 2.9252 2.9252 3.0326 3.0326 3.1911 3.1911 3.2492 3.2492 3.8697 3.8697 3.9660 3.9660 4.0441 4.0441 4.1206 4.1206 4.4314 4.4314 4.4867 4.4867 5.1085 5.1085 5.1724 5.1724 5.2650 5.2650 5.3154 5.3154 8.3059 8.3059 8.3730 8.3730 8.7349 8.7349 8.7649 8.7649 9.3847 9.3847 k = 0.5000 0.3550 0.4152 ( 7424 PWs) bands (ev): -5.6270 -5.6270 -5.6266 -5.6266 -5.1755 -5.1755 -5.1742 -5.1742 0.3315 0.3315 0.4031 0.4031 1.3438 1.3438 1.3904 1.3904 2.4439 2.4439 2.5882 2.5882 2.8073 2.8073 2.8610 2.8610 2.9205 2.9205 3.0256 3.0256 3.1854 3.1854 3.2438 3.2438 3.8724 3.8724 3.9627 3.9627 4.0371 4.0371 4.1158 4.1158 4.4193 4.4193 4.4779 4.4779 5.0922 5.0922 5.1552 5.1552 5.2493 5.2493 5.2995 5.2995 8.3061 8.3061 8.3623 8.3623 8.6613 8.6613 8.6948 8.6948 9.3142 9.3142 k = 0.5000 0.3550 0.3921 ( 7420 PWs) bands (ev): -5.6454 -5.6454 -5.6450 -5.6450 -5.1571 -5.1571 -5.1558 -5.1558 0.3261 0.3261 0.3969 0.3969 1.3841 1.3841 1.4354 1.4354 2.4636 2.4636 2.6024 2.6024 2.8022 2.8022 2.8563 2.8563 2.9175 2.9175 3.0198 3.0198 3.1802 3.1802 3.2382 3.2382 3.8754 3.8754 3.9595 3.9595 4.0297 4.0297 4.1088 4.1088 4.4119 4.4119 4.4725 4.4725 5.0765 5.0765 5.1388 5.1388 5.2352 5.2352 5.2852 5.2852 8.2848 8.2848 8.3352 8.3352 8.5883 8.5883 8.6440 8.6440 9.2486 9.2486 k = 0.5000 0.3550 0.3691 ( 7416 PWs) bands (ev): -5.6634 -5.6634 -5.6630 -5.6630 -5.1385 -5.1385 -5.1372 -5.1372 0.3165 0.3165 0.3856 0.3856 1.4271 1.4271 1.4830 1.4830 2.4827 2.4827 2.6160 2.6160 2.7987 2.7987 2.8537 2.8537 2.9162 2.9162 3.0154 3.0154 3.1756 3.1756 3.2325 3.2325 3.8789 3.8789 3.9563 3.9563 4.0214 4.0214 4.0995 4.0995 4.4098 4.4098 4.4709 4.4709 5.0613 5.0613 5.1231 5.1231 5.2228 5.2228 5.2725 5.2725 8.2426 8.2426 8.2948 8.2948 8.5228 8.5228 8.6005 8.6005 9.1892 9.1892 k = 0.5000 0.3550 0.3460 ( 7406 PWs) bands (ev): -5.6808 -5.6808 -5.6805 -5.6805 -5.1200 -5.1200 -5.1187 -5.1187 0.3032 0.3032 0.3698 0.3698 1.4722 1.4722 1.5320 1.5320 2.5012 2.5012 2.6288 2.6288 2.7964 2.7964 2.8534 2.8534 2.9166 2.9166 3.0125 3.0125 3.1715 3.1715 3.2269 3.2269 3.8826 3.8826 3.9533 3.9533 4.0121 4.0121 4.0876 4.0876 4.4132 4.4132 4.4732 4.4732 5.0466 5.0466 5.1080 5.1080 5.2124 5.2124 5.2614 5.2614 8.1876 8.1876 8.2428 8.2428 8.4646 8.4646 8.5560 8.5560 9.1363 9.1363 k = 0.5000 0.3550 0.3229 ( 7408 PWs) bands (ev): -5.6977 -5.6977 -5.6973 -5.6973 -5.1017 -5.1017 -5.1004 -5.1004 0.2871 0.2871 0.3506 0.3506 1.5184 1.5184 1.5812 1.5812 2.5187 2.5187 2.6407 2.6407 2.7953 2.7953 2.8555 2.8555 2.9184 2.9184 3.0115 3.0115 3.1680 3.1680 3.2216 3.2216 3.8867 3.8867 3.9504 3.9504 4.0015 4.0015 4.0735 4.0735 4.4216 4.4216 4.4795 4.4795 5.0325 5.0325 5.0931 5.0931 5.2039 5.2039 5.2518 5.2518 8.1272 8.1272 8.1829 8.1829 8.4097 8.4097 8.5065 8.5065 9.0891 9.0891 k = 0.5000 0.3550 0.2999 ( 7416 PWs) bands (ev): -5.7138 -5.7138 -5.7135 -5.7135 -5.0838 -5.0838 -5.0825 -5.0825 0.2688 0.2688 0.3286 0.3286 1.5650 1.5650 1.6297 1.6297 2.5352 2.5352 2.6517 2.6517 2.7954 2.7954 2.8598 2.8598 2.9215 2.9215 3.0126 3.0126 3.1649 3.1649 3.2168 3.2168 3.8908 3.8908 3.9474 3.9474 3.9895 3.9895 4.0576 4.0576 4.4348 4.4348 4.4897 4.4897 5.0188 5.0188 5.0785 5.0785 5.1975 5.1975 5.2439 5.2439 8.0660 8.0660 8.1198 8.1198 8.3546 8.3546 8.4510 8.4510 9.0458 9.0458 k = 0.5000 0.3550 0.2768 ( 7408 PWs) bands (ev): -5.7291 -5.7291 -5.7288 -5.7288 -5.0663 -5.0663 -5.0651 -5.0651 0.2490 0.2490 0.3047 0.3047 1.6109 1.6109 1.6765 1.6765 2.5507 2.5507 2.6618 2.6618 2.7969 2.7969 2.8659 2.8659 2.9254 2.9254 3.0159 3.0159 3.1623 3.1623 3.2130 3.2130 3.8951 3.8951 3.9441 3.9441 3.9760 3.9760 4.0407 4.0407 4.4521 4.4521 4.5037 4.5037 5.0055 5.0055 5.0639 5.0639 5.1933 5.1933 5.2377 5.2377 8.0065 8.0065 8.0571 8.0571 8.2980 8.2980 8.3907 8.3907 9.0044 9.0044 k = 0.5000 0.3550 0.2537 ( 7420 PWs) bands (ev): -5.7434 -5.7434 -5.7431 -5.7431 -5.0496 -5.0496 -5.0484 -5.0484 0.2283 0.2283 0.2798 0.2798 1.6555 1.6555 1.7207 1.7207 2.5652 2.5652 2.6709 2.6709 2.8000 2.8000 2.8732 2.8732 2.9296 2.9296 3.0213 3.0213 3.1601 3.1601 3.2104 3.2104 3.8991 3.8991 3.9402 3.9402 3.9614 3.9614 4.0235 4.0235 4.4727 4.4727 4.5209 4.5209 4.9925 4.9925 5.0494 5.0494 5.1911 5.1911 5.2332 5.2332 7.9503 7.9503 7.9971 7.9971 8.2400 8.2400 8.3275 8.3275 8.9627 8.9627 k = 0.5000 0.3550 0.2307 ( 7428 PWs) bands (ev): -5.7568 -5.7568 -5.7565 -5.7565 -5.0337 -5.0337 -5.0325 -5.0325 0.2074 0.2074 0.2544 0.2544 1.6981 1.6981 1.7617 1.7617 2.5788 2.5788 2.6789 2.6789 2.8048 2.8048 2.8811 2.8811 2.9340 2.9340 3.0285 3.0285 3.1585 3.1585 3.2094 3.2094 3.9025 3.9025 3.9346 3.9346 3.9467 3.9467 4.0071 4.0071 4.4961 4.4961 4.5409 4.5409 4.9799 4.9799 5.0348 5.0348 5.1911 5.1911 5.2304 5.2304 7.8982 7.8982 7.9412 7.9412 8.1815 8.1815 8.2630 8.2630 8.9195 8.9195 k = 0.5000 0.3550 0.2076 ( 7408 PWs) bands (ev): -5.7691 -5.7691 -5.7688 -5.7688 -5.0187 -5.0187 -5.0176 -5.0176 0.1870 0.1870 0.2293 0.2293 1.7381 1.7381 1.7989 1.7989 2.5916 2.5916 2.6856 2.6856 2.8115 2.8115 2.8890 2.8890 2.9384 2.9384 3.0364 3.0364 3.1579 3.1579 3.2102 3.2102 3.9040 3.9040 3.9245 3.9245 3.9355 3.9355 3.9927 3.9927 4.5216 4.5216 4.5633 4.5633 4.9676 4.9676 5.0201 5.0201 5.1930 5.1930 5.2292 5.2292 7.8509 7.8509 7.8901 7.8901 8.1237 8.1237 8.1989 8.1989 8.8740 8.8740 k = 0.5000 0.3550 0.1845 ( 7392 PWs) bands (ev): -5.7802 -5.7802 -5.7800 -5.7800 -5.0048 -5.0048 -5.0039 -5.0039 0.1674 0.1674 0.2051 0.2051 1.7750 1.7750 1.8319 1.8319 2.6038 2.6038 2.6909 2.6909 2.8200 2.8200 2.8963 2.8963 2.9429 2.9429 3.0439 3.0439 3.1590 3.1590 3.2129 3.2129 3.8989 3.8989 3.9121 3.9121 3.9298 3.9298 3.9813 3.9813 4.5485 4.5485 4.5871 4.5871 4.9556 4.9556 5.0053 5.0053 5.1966 5.1966 5.2295 5.2295 7.8089 7.8089 7.8446 7.8446 8.0675 8.0675 8.1365 8.1365 8.8265 8.8265 k = 0.5000 0.3550 0.1615 ( 7392 PWs) bands (ev): -5.7902 -5.7902 -5.7900 -5.7900 -4.9922 -4.9922 -4.9914 -4.9914 0.1492 0.1492 0.1822 0.1822 1.8084 1.8084 1.8604 1.8604 2.6155 2.6155 2.6947 2.6947 2.8297 2.8297 2.9025 2.9025 2.9479 2.9479 3.0493 3.0493 3.1626 3.1626 3.2170 3.2170 3.8851 3.8851 3.9008 3.9008 3.9288 3.9288 3.9730 3.9730 4.5759 4.5759 4.6115 4.6115 4.9438 4.9438 4.9905 4.9905 5.2018 5.2018 5.2311 5.2311 7.7724 7.7724 7.8048 7.8048 8.0142 8.0142 8.0769 8.0769 8.7778 8.7778 k = 0.5000 0.3550 0.1384 ( 7388 PWs) bands (ev): -5.7990 -5.7990 -5.7988 -5.7988 -4.9810 -4.9810 -4.9803 -4.9803 0.1329 0.1329 0.1612 0.1612 1.8382 1.8382 1.8842 1.8842 2.6267 2.6267 2.6971 2.6971 2.8404 2.8404 2.9071 2.9071 2.9538 2.9538 3.0515 3.0515 3.1694 3.1694 3.2221 3.2221 3.8691 3.8691 3.8874 3.8874 3.9309 3.9309 3.9673 3.9673 4.6032 4.6032 4.6358 4.6358 4.9325 4.9325 4.9756 4.9756 5.2080 5.2080 5.2337 5.2337 7.7418 7.7418 7.7712 7.7712 7.9647 7.9647 8.0210 8.0210 8.7297 8.7297 k = 0.5000 0.3550 0.1153 ( 7390 PWs) bands (ev): -5.8064 -5.8064 -5.8063 -5.8063 -4.9713 -4.9713 -4.9707 -4.9707 0.1188 0.1188 0.1423 0.1423 1.8641 1.8641 1.9035 1.9035 2.6374 2.6374 2.6979 2.6979 2.8514 2.8514 2.9100 2.9100 2.9608 2.9608 3.0501 3.0501 3.1791 3.1791 3.2274 3.2274 3.8538 3.8538 3.8726 3.8726 3.9341 3.9341 3.9633 3.9633 4.6295 4.6295 4.6590 4.6590 4.9219 4.9219 4.9608 4.9608 5.2150 5.2150 5.2369 5.2369 7.7171 7.7171 7.7436 7.7436 7.9201 7.9201 7.9699 7.9699 8.6843 8.6843 k = 0.5000 0.3550 0.0923 ( 7388 PWs) bands (ev): -5.8126 -5.8126 -5.8125 -5.8125 -4.9632 -4.9632 -4.9627 -4.9627 0.1072 0.1072 0.1260 0.1260 1.8860 1.8860 1.9182 1.9182 2.6476 2.6476 2.6972 2.6972 2.8623 2.8623 2.9108 2.9108 2.9690 2.9690 3.0457 3.0457 3.1905 3.1905 3.2322 3.2322 3.8405 3.8405 3.8581 3.8581 3.9376 3.9376 3.9603 3.9603 4.6540 4.6540 4.6800 4.6800 4.9123 4.9123 4.9464 4.9464 5.2223 5.2223 5.2401 5.2401 7.6984 7.6984 7.7217 7.7217 7.8817 7.8817 7.9243 7.9243 8.6437 8.6437 k = 0.5000 0.3550 0.0692 ( 7384 PWs) bands (ev): -5.8174 -5.8174 -5.8173 -5.8173 -4.9568 -4.9568 -4.9564 -4.9564 0.0985 0.0985 0.1126 0.1126 1.9040 1.9040 1.9285 1.9285 2.6572 2.6572 2.6952 2.6952 2.8725 2.8725 2.9098 2.9098 2.9783 2.9783 3.0388 3.0388 3.2026 3.2026 3.2357 3.2357 3.8300 3.8300 3.8448 3.8448 3.9410 3.9410 3.9577 3.9577 4.6759 4.6759 4.6975 4.6975 4.9046 4.9046 4.9326 4.9326 5.2293 5.2293 5.2429 5.2429 7.6857 7.6857 7.7052 7.7052 7.8510 7.8510 7.8854 7.8854 8.6102 8.6102 k = 0.5000 0.3550 0.0461 ( 7396 PWs) bands (ev): -5.8209 -5.8209 -5.8208 -5.8208 -4.9521 -4.9521 -4.9518 -4.9518 0.0928 0.0928 0.1021 0.1021 1.9180 1.9180 1.9345 1.9345 2.6661 2.6661 2.6918 2.6918 2.8818 2.8818 2.9070 2.9070 2.9885 2.9885 3.0302 3.0302 3.2140 3.2140 3.2369 3.2369 3.8229 3.8229 3.8336 3.8336 3.9442 3.9442 3.9552 3.9552 4.6943 4.6943 4.7100 4.7100 4.8997 4.8997 4.9199 4.9199 5.2354 5.2354 5.2446 5.2446 7.6786 7.6786 7.6930 7.6930 7.8295 7.8295 7.8541 7.8541 8.5854 8.5854 k = 0.5000 0.3550 0.0231 ( 7416 PWs) bands (ev): -5.8229 -5.8229 -5.8229 -5.8229 -4.9493 -4.9493 -4.9491 -4.9491 0.0902 0.0902 0.0949 0.0949 1.9281 1.9281 1.9364 1.9364 2.6741 2.6741 2.6871 2.6871 2.8901 2.8901 2.9028 2.9028 2.9991 2.9991 3.0204 3.0204 3.2237 3.2237 3.2355 3.2355 3.8197 3.8197 3.8253 3.8253 3.9472 3.9472 3.9527 3.9527 4.7078 4.7078 4.7163 4.7163 4.8986 4.8986 4.9094 4.9094 5.2403 5.2403 5.2449 5.2449 7.6766 7.6766 7.6844 7.6844 7.8188 7.8188 7.8317 7.8317 8.5706 8.5706 k = 0.5000 0.3550 0.0000 ( 7440 PWs) bands (ev): -5.8236 -5.8236 -5.8236 -5.8236 -4.9483 -4.9483 -4.9483 -4.9483 0.0909 0.0909 0.0909 0.0909 1.9342 1.9342 1.9342 1.9342 2.6811 2.6811 2.6811 2.6811 2.8970 2.8970 2.8970 2.8970 3.0099 3.0099 3.0099 3.0099 3.2310 3.2310 3.2310 3.2310 3.8205 3.8205 3.8205 3.8205 3.9500 3.9500 3.9500 3.9500 4.7155 4.7155 4.7155 4.7155 4.9019 4.9019 4.9019 4.9019 5.2435 5.2435 5.2435 5.2435 7.6788 7.6788 7.6788 7.6788 7.8196 7.8196 7.8196 7.8196 8.5666 8.5666 k = 0.0000 0.0000 0.8636 ( 7446 PWs) bands (ev): -5.4396 -5.4396 -5.4387 -5.4387 -5.3203 -5.3203 -5.3203 -5.3203 -0.0184 -0.0184 0.0120 0.0120 1.0820 1.0820 1.2013 1.2013 2.1916 2.1916 2.4014 2.4014 2.9584 2.9584 2.9833 2.9833 3.0840 3.0840 3.1443 3.1443 3.2704 3.2704 3.3018 3.3018 3.8759 3.8759 4.0053 4.0053 4.1334 4.1334 4.2028 4.2028 4.7874 4.7874 4.8167 4.8167 5.3340 5.3340 5.4222 5.4222 5.7363 5.7363 5.7888 5.7888 7.6364 7.6364 7.6932 7.6932 9.0533 9.0533 9.0539 9.0539 10.0853 10.0853 k = 0.0179 0.0127 0.8636 ( 7434 PWs) bands (ev): -5.4397 -5.4395 -5.4387 -5.4386 -5.3204 -5.3204 -5.3203 -5.3202 -0.0197 -0.0152 0.0117 0.0143 1.0771 1.0812 1.1950 1.1989 2.1934 2.2003 2.4051 2.4051 2.9560 2.9600 2.9810 2.9842 3.0827 3.0846 3.1370 3.1505 3.2639 3.2779 3.2885 3.3153 3.8686 3.8830 4.0020 4.0070 4.1333 4.1358 4.1999 4.2072 4.7864 4.7871 4.8130 4.8190 5.3316 5.3360 5.4179 5.4259 5.7289 5.7368 5.7841 5.7866 7.6346 7.6502 7.6951 7.7036 9.0524 9.0529 9.0529 9.0535 10.0815 10.0861 k = 0.0357 0.0254 0.8636 ( 7438 PWs) bands (ev): -5.4396 -5.4393 -5.4386 -5.4384 -5.3207 -5.3206 -5.3204 -5.3203 -0.0193 -0.0103 0.0133 0.0185 1.0670 1.0751 1.1805 1.1881 2.2055 2.2189 2.4159 2.4160 2.9527 2.9607 2.9773 2.9832 3.0805 3.0846 3.1287 3.1553 3.2585 3.2757 3.2864 3.3289 3.8612 3.8896 3.9969 4.0075 4.1354 4.1399 4.1985 4.2129 4.7840 4.7855 4.8078 4.8196 5.3288 5.3377 5.4129 5.4289 5.7155 5.7305 5.7726 5.7774 7.6446 7.6754 7.7092 7.7259 9.0503 9.0503 9.0511 9.0515 10.0745 10.0838 k = 0.0536 0.0380 0.8636 ( 7446 PWs) bands (ev): -5.4395 -5.4390 -5.4384 -5.4381 -5.3210 -5.3209 -5.3206 -5.3205 -0.0172 -0.0037 0.0168 0.0245 1.0521 1.0640 1.1589 1.1699 2.2267 2.2464 2.4332 2.4337 2.9485 2.9605 2.9722 2.9803 3.0776 3.0842 3.1196 3.1587 3.2541 3.2635 3.2957 3.3423 3.8540 3.8957 3.9901 4.0070 4.1400 4.1454 4.1986 4.2196 4.7801 4.7828 4.8014 4.8185 5.3258 5.3390 5.4070 5.4312 5.6971 5.7178 5.7552 5.7621 7.6659 7.7109 7.7346 7.7592 9.0461 9.0467 9.0479 9.0479 10.0641 10.0785 k = 0.0714 0.0507 0.8636 ( 7434 PWs) bands (ev): -5.4392 -5.4385 -5.4382 -5.4377 -5.3215 -5.3213 -5.3209 -5.3207 -0.0136 0.0044 0.0220 0.0323 1.0333 1.0487 1.1318 1.1457 2.2556 2.2813 2.4562 2.4574 2.9430 2.9592 2.9658 2.9750 3.0739 3.0838 3.1099 3.1605 3.2506 3.2524 3.3058 3.3554 3.8472 3.9012 3.9817 4.0061 4.1469 4.1519 4.2003 4.2274 4.7747 4.7791 4.7939 4.8155 5.3224 5.3400 5.4002 5.4327 5.6754 5.6997 5.7332 5.7420 7.6974 7.7554 7.7702 7.8023 9.0399 9.0415 9.0424 9.0429 10.0502 10.0697 k = 0.0893 0.0634 0.8636 ( 7430 PWs) bands (ev): -5.4389 -5.4381 -5.4379 -5.4373 -5.3220 -5.3218 -5.3213 -5.3211 -0.0086 0.0138 0.0287 0.0415 1.0116 1.0302 1.1009 1.1173 2.2906 2.3219 2.4839 2.4863 2.9359 2.9566 2.9579 2.9673 3.0698 3.0835 3.0999 3.1604 3.2427 3.2480 3.3166 3.3679 3.8410 3.9059 3.9718 4.0049 4.1558 4.1589 4.2036 4.2358 4.7679 4.7745 4.7854 4.8106 5.3187 5.3405 5.3924 5.4333 5.6520 5.6778 5.7081 5.7184 7.7375 7.8072 7.8143 7.8535 9.0317 9.0344 9.0348 9.0357 10.0327 10.0576 k = 0.1071 0.0761 0.8636 ( 7430 PWs) bands (ev): -5.4385 -5.4376 -5.4375 -5.4368 -5.3225 -5.3224 -5.3217 -5.3215 -0.0026 0.0243 0.0366 0.0518 0.9882 1.0095 1.0677 1.0863 2.3297 2.3667 2.5152 2.5191 2.9270 2.9484 2.9524 2.9571 3.0653 3.0835 3.0898 3.1583 3.2347 3.2460 3.3278 3.3796 3.8358 3.9099 3.9607 4.0036 4.1663 4.1665 4.2082 4.2447 4.7598 4.7691 4.7761 4.8038 5.3149 5.3406 5.3834 5.4329 5.6286 5.6537 5.6813 5.6929 7.7843 7.8644 7.8653 7.9111 9.0209 9.0247 9.0250 9.0259 10.0121 10.0353 k = 0.1250 0.0888 0.8636 ( 7428 PWs) bands (ev): -5.4381 -5.4371 -5.4370 -5.4363 -5.3231 -5.3230 -5.3222 -5.3219 0.0042 0.0355 0.0454 0.0630 0.9643 0.9878 1.0337 1.0544 2.3713 2.4141 2.5491 2.5550 2.9158 2.9370 2.9444 2.9463 3.0609 3.0800 3.0838 3.1543 3.2286 3.2446 3.3392 3.3901 3.8318 3.9131 3.9486 4.0024 4.1737 4.1788 4.2139 4.2536 4.7507 4.7630 4.7664 4.7950 5.3110 5.3403 5.3733 5.4313 5.6069 5.6292 5.6545 5.6670 7.8358 7.9210 7.9251 7.9729 9.0076 9.0121 9.0130 9.0133 9.9890 10.0053 k = 0.1429 0.1014 0.8636 ( 7438 PWs) bands (ev): -5.4377 -5.4367 -5.4365 -5.4359 -5.3237 -5.3235 -5.3227 -5.3223 0.0114 0.0469 0.0546 0.0745 0.9410 0.9662 1.0004 1.0232 2.4139 2.4630 2.5846 2.5927 2.9016 2.9236 2.9296 2.9379 3.0566 3.0710 3.0844 3.1489 3.2243 3.2435 3.3508 3.3991 3.8293 3.9157 3.9357 4.0013 4.1808 4.1922 4.2204 4.2621 4.7410 4.7564 4.7566 4.7845 5.3072 5.3395 5.3622 5.4284 5.5880 5.6060 5.6289 5.6421 7.8898 7.9793 7.9871 8.0370 8.9916 8.9970 8.9975 8.9983 9.9646 9.9755 k = 0.1607 0.1141 0.8636 ( 7422 PWs) bands (ev): -5.4373 -5.4363 -5.4359 -5.4354 -5.3242 -5.3241 -5.3231 -5.3228 0.0186 0.0580 0.0639 0.0859 0.9195 0.9458 0.9690 0.9939 2.4560 2.5122 2.6207 2.6313 2.8843 2.9081 2.9130 2.9269 3.0527 3.0631 3.0852 3.1428 3.2214 3.2429 3.3622 3.4063 3.8287 3.9177 3.9223 4.0005 4.1876 4.2066 4.2274 4.2697 4.7316 4.7467 4.7501 4.7726 5.3038 5.3384 5.3505 5.4240 5.5726 5.5856 5.6058 5.6192 7.9436 8.0379 8.0480 8.1010 8.9732 8.9787 8.9797 8.9810 9.9404 9.9471 k = 0.1786 0.1268 0.8636 ( 7428 PWs) bands (ev): -5.4370 -5.4360 -5.4354 -5.4350 -5.3247 -5.3246 -5.3235 -5.3232 0.0253 0.0683 0.0725 0.0964 0.9009 0.9275 0.9405 0.9679 2.4958 2.5608 2.6566 2.6697 2.8634 2.8902 2.8952 2.9127 3.0493 3.0566 3.0861 3.1369 3.2195 3.2424 3.3733 3.4114 3.8302 3.9087 3.9191 3.9998 4.1936 4.2212 4.2342 4.2755 4.7232 4.7378 4.7439 4.7599 5.3011 5.3371 5.3389 5.4185 5.5611 5.5689 5.5859 5.5991 7.9945 8.0939 8.1049 8.1620 8.9535 8.9577 8.9612 8.9618 9.9179 9.9217 k = 0.1964 0.1395 0.8636 ( 7428 PWs) bands (ev): -5.4367 -5.4357 -5.4350 -5.4347 -5.3251 -5.3250 -5.3239 -5.3235 0.0311 0.0772 0.0800 0.1056 0.8864 0.9122 0.9160 0.9462 2.5315 2.6079 2.6913 2.7070 2.8390 2.8699 2.8775 2.8954 3.0467 3.0514 3.0869 3.1318 3.2183 3.2421 3.3837 3.4141 3.8340 3.8951 3.9201 3.9992 4.1987 4.2356 4.2403 4.2790 4.7168 4.7300 4.7384 4.7471 5.2995 5.3280 5.3357 5.4127 5.5534 5.5565 5.5701 5.5822 8.0394 8.1443 8.1547 8.2167 8.9341 8.9359 8.9420 8.9430 9.8987 9.9007 k = 0.2143 0.1522 0.8636 ( 7428 PWs) bands (ev): -5.4365 -5.4354 -5.4347 -5.4345 -5.3254 -5.3253 -5.3242 -5.3237 0.0355 0.0841 0.0858 0.1126 0.8766 0.8964 0.9008 0.9300 2.5607 2.6528 2.7234 2.7420 2.8120 2.8473 2.8615 2.8754 3.0449 3.0477 3.0875 3.1279 3.2176 3.2419 3.3931 3.4143 3.8399 3.8818 3.9207 3.9989 4.2025 4.2451 4.2491 4.2795 4.7134 4.7240 4.7340 4.7351 5.2994 5.3184 5.3345 5.4074 5.5481 5.5495 5.5586 5.5688 8.0750 8.1854 8.1937 8.2609 8.9161 8.9176 8.9239 8.9273 9.8840 9.8849 k = 0.2321 0.1648 0.8636 ( 7432 PWs) bands (ev): -5.4363 -5.4353 -5.4345 -5.4344 -5.3256 -5.3256 -5.3243 -5.3239 0.0384 0.0885 0.0894 0.1171 0.8725 0.8824 0.8936 0.9199 2.5804 2.6945 2.7462 2.7720 2.7888 2.8227 2.8500 2.8545 3.0440 3.0453 3.0879 3.1254 3.2172 3.2418 3.4012 3.4121 3.8480 3.8693 3.9211 3.9987 4.2049 4.2482 4.2609 4.2766 4.7136 4.7203 4.7249 4.7312 5.3011 5.3105 5.3337 5.4037 5.5433 5.5492 5.5516 5.5588 8.0980 8.2134 8.2179 8.2902 8.9019 8.9069 8.9104 8.9165 9.8748 9.8751 k = 0.2500 0.1775 0.8636 ( 7440 PWs) bands (ev): -5.4363 -5.4353 -5.4344 -5.4344 -5.3256 -5.3256 -5.3244 -5.3239 0.0393 0.0903 0.0903 0.1187 0.8743 0.8743 0.8912 0.9165 2.5874 2.7308 2.7308 2.7870 2.7981 2.7981 2.8426 2.8457 3.0441 3.0441 3.0880 3.1246 3.2170 3.2418 3.4077 3.4077 3.8579 3.8579 3.9212 3.9986 4.2057 4.2493 4.2703 4.2703 4.7175 4.7175 4.7189 4.7302 5.3048 5.3048 5.3334 5.4024 5.5417 5.5493 5.5523 5.5523 8.1060 8.2248 8.2248 8.3006 8.8966 8.9042 8.9042 8.9127 9.8717 9.8717 Writing output data file AlCuTe2.save init_run : 2.65s CPU 13.37s WALL ( 1 calls) electrons : 1022.44s CPU 1030.25s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.35s CPU 1.55s WALL ( 1 calls) Called by electrons: c_bands : 1022.41s CPU 1030.02s WALL ( 1 calls) v_of_rho : 0.19s CPU 0.95s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.18s CPU 0.56s WALL ( 1 calls) newd : 0.43s CPU 0.62s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.13s WALL ( 261 calls) cegterg : 928.07s CPU 932.60s WALL ( 515 calls) Called by sum_band: Called by *egterg: h_psi : 565.04s CPU 571.47s WALL ( 7856 calls) s_psi : 39.54s CPU 39.65s WALL ( 7856 calls) g_psi : 1.01s CPU 1.01s WALL ( 7080 calls) cdiaghg : 242.98s CPU 241.36s WALL ( 7341 calls) cegterg:over : 66.36s CPU 64.58s WALL ( 7080 calls) cegterg:upda : 20.88s CPU 23.07s WALL ( 7080 calls) cegterg:last : 16.30s CPU 16.83s WALL ( 1348 calls) Called by h_psi: h_psi:vloc : 477.65s CPU 482.22s WALL ( 7856 calls) h_psi:vnl : 86.86s CPU 88.26s WALL ( 7856 calls) add_vuspsi : 33.83s CPU 36.08s WALL ( 7856 calls) General routines calbec : 52.98s CPU 52.07s WALL ( 7856 calls) fft : 0.23s CPU 1.15s WALL ( 19 calls) ffts : 0.03s CPU 0.05s WALL ( 4 calls) fftw : 453.23s CPU 455.91s WALL ( 1050508 calls) interpolate : 0.04s CPU 0.08s WALL ( 4 calls) davcio : 0.04s CPU 2.84s WALL ( 522 calls) Parallel routines fft_scatter : 268.52s CPU 264.21s WALL ( 1050531 calls) PWSCF : 18m26.81s CPU 21m59.82s WALL This run was terminated on: 13: 7:56 12Jun2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=