Program PWSCF v.5.1.1 starts on 24Oct2015 at 2:55:14 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: ./Al2HgTe4.save/ file Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 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 126 52 14 4396 1153 174 Max 127 53 15 4399 1182 177 Sum 6091 2523 709 211091 56051 8441 bravais-lattice index = 14 lattice parameter (alat) = 13.9747 a.u. unit-cell volume = 1472.9636 (a.u.)^3 number of atoms/cell = 7 number of atomic types = 3 number of electrons = 42.00 number of Kohn-Sham states= 50 kinetic-energy cutoff = 43.0000 Ry charge density cutoff = 416.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 13.974652 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.670415 celldm(5)= -0.670415 celldm(6)= 0.340831 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.340831 0.940125 0.000000 ) a(3) = ( -0.670415 -0.470062 0.574095 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.362538 0.870937 ) b(2) = ( 0.000000 1.063689 0.870937 ) b(3) = ( 0.000000 0.000000 1.741873 ) PseudoPot. # 1 for Hg read from file: /home/autes/Pseudo/Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: a7fd98bfb2640362c6e2ed76594f1960 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 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. # 2 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. # 3 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 atomic species valence mass pseudopotential Hg 12.00 200.59000 Hg( 1.00) Te 6.00 127.60000 Te( 1.00) Al 3.00 26.98150 Al( 1.00) No symmetry found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 256 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039062 k( 2) = ( 0.0000000 0.0000000 0.0235388), wk = 0.0039062 k( 3) = ( 0.0000000 0.0000000 0.0470777), wk = 0.0039062 k( 4) = ( 0.0000000 0.0000000 0.0706165), wk = 0.0039062 k( 5) = ( 0.0000000 0.0000000 0.0941553), wk = 0.0039062 k( 6) = ( 0.0000000 0.0000000 0.1176941), wk = 0.0039062 k( 7) = ( 0.0000000 0.0000000 0.1412329), wk = 0.0039062 k( 8) = ( 0.0000000 0.0000000 0.1647718), wk = 0.0039062 k( 9) = ( 0.0000000 0.0000000 0.1883106), wk = 0.0039062 k( 10) = ( 0.0000000 0.0000000 0.2118494), wk = 0.0039062 k( 11) = ( 0.0000000 0.0000000 0.2353883), wk = 0.0039062 k( 12) = ( 0.0000000 0.0000000 0.2589271), wk = 0.0039062 k( 13) = ( 0.0000000 0.0000000 0.2824659), wk = 0.0039062 k( 14) = ( 0.0000000 0.0000000 0.3060047), wk = 0.0039062 k( 15) = ( 0.0000000 0.0000000 0.3295435), wk = 0.0039062 k( 16) = ( 0.0000000 0.0000000 0.3530824), wk = 0.0039062 k( 17) = ( 0.0000000 0.0000000 0.3766212), wk = 0.0039062 k( 18) = ( 0.0000000 0.0000000 0.4001600), wk = 0.0039062 k( 19) = ( 0.0000000 0.0000000 0.4236988), wk = 0.0039062 k( 20) = ( 0.0000000 0.0000000 0.4472377), wk = 0.0039062 k( 21) = ( 0.0000000 0.0000000 0.4707765), wk = 0.0039062 k( 22) = ( 0.0000000 0.0000000 0.4943153), wk = 0.0039062 k( 23) = ( 0.0000000 0.0000000 0.5178541), wk = 0.0039062 k( 24) = ( 0.0000000 0.0000000 0.5413930), wk = 0.0039062 k( 25) = ( 0.0000000 0.0000000 0.5649318), wk = 0.0039062 k( 26) = ( 0.0000000 0.0000000 0.5884706), wk = 0.0039062 k( 27) = ( 0.0000000 0.0000000 0.6120094), wk = 0.0039062 k( 28) = ( 0.0000000 0.0000000 0.6355483), wk = 0.0039062 k( 29) = ( 0.0000000 0.0000000 0.6590871), wk = 0.0039062 k( 30) = ( 0.0000000 0.0000000 0.6826259), wk = 0.0039062 k( 31) = ( 0.0000000 0.0000000 0.7061648), wk = 0.0039062 k( 32) = ( 0.0000000 0.0000000 0.7297036), wk = 0.0039062 k( 33) = ( 0.0000000 0.0000000 0.7532424), wk = 0.0039062 k( 34) = ( 0.0000000 0.0000000 0.7767812), wk = 0.0039062 k( 35) = ( 0.0000000 0.0000000 0.8003200), wk = 0.0039062 k( 36) = ( 0.0000000 0.0000000 0.8238589), wk = 0.0039062 k( 37) = ( 0.0000000 0.0000000 0.8473977), wk = 0.0039062 k( 38) = ( 0.0000000 0.0000000 0.8709365), wk = 0.0039062 k( 39) = ( 0.0000000 0.0000000 0.8709365), wk = 0.0039062 k( 40) = ( -0.0122903 0.0175288 0.8709365), wk = 0.0039062 k( 41) = ( -0.0245806 0.0350575 0.8709365), wk = 0.0039062 k( 42) = ( -0.0368709 0.0525863 0.8709365), wk = 0.0039062 k( 43) = ( -0.0491613 0.0701151 0.8709365), wk = 0.0039062 k( 44) = ( -0.0614516 0.0876439 0.8709365), wk = 0.0039062 k( 45) = ( -0.0737419 0.1051726 0.8709365), wk = 0.0039062 k( 46) = ( -0.0860322 0.1227014 0.8709365), wk = 0.0039062 k( 47) = ( -0.0983225 0.1402302 0.8709365), wk = 0.0039062 k( 48) = ( -0.1106128 0.1577590 0.8709365), wk = 0.0039062 k( 49) = ( -0.1229032 0.1752877 0.8709365), wk = 0.0039062 k( 50) = ( -0.1229032 0.1752877 0.8709365), wk = 0.0039062 k( 51) = ( -0.1323306 0.1887334 0.8545151), wk = 0.0039062 k( 52) = ( -0.1417580 0.2021790 0.8380938), wk = 0.0039062 k( 53) = ( -0.1511854 0.2156246 0.8216724), wk = 0.0039062 k( 54) = ( -0.1606129 0.2290703 0.8052510), wk = 0.0039062 k( 55) = ( -0.1700403 0.2425159 0.7888297), wk = 0.0039062 k( 56) = ( -0.1794677 0.2559616 0.7724083), wk = 0.0039062 k( 57) = ( -0.1888951 0.2694072 0.7559869), wk = 0.0039062 k( 58) = ( -0.1983225 0.2828528 0.7395655), wk = 0.0039062 k( 59) = ( -0.2077500 0.2962985 0.7231442), wk = 0.0039062 k( 60) = ( -0.2171774 0.3097441 0.7067228), wk = 0.0039062 k( 61) = ( -0.2266048 0.3231897 0.6903014), wk = 0.0039062 k( 62) = ( -0.2360322 0.3366354 0.6738801), wk = 0.0039062 k( 63) = ( -0.2454596 0.3500810 0.6574587), wk = 0.0039062 k( 64) = ( -0.2548871 0.3635266 0.6410373), wk = 0.0039062 k( 65) = ( -0.2643145 0.3769723 0.6246160), wk = 0.0039062 k( 66) = ( -0.2737419 0.3904179 0.6081946), wk = 0.0039062 k( 67) = ( -0.2831693 0.4038636 0.5917732), wk = 0.0039062 k( 68) = ( -0.2925967 0.4173092 0.5753519), wk = 0.0039062 k( 69) = ( -0.3020242 0.4307548 0.5589305), wk = 0.0039062 k( 70) = ( -0.3114516 0.4442005 0.5425091), wk = 0.0039062 k( 71) = ( -0.3114516 0.4442005 0.5425091), wk = 0.0039062 k( 72) = ( -0.3020137 0.4307398 0.5260694), wk = 0.0039062 k( 73) = ( -0.2925757 0.4172792 0.5096298), wk = 0.0039062 k( 74) = ( -0.2831378 0.4038186 0.4931901), wk = 0.0039062 k( 75) = ( -0.2736999 0.3903580 0.4767504), wk = 0.0039062 k( 76) = ( -0.2642620 0.3768974 0.4603108), wk = 0.0039062 k( 77) = ( -0.2548240 0.3634367 0.4438711), wk = 0.0039062 k( 78) = ( -0.2453861 0.3499761 0.4274314), wk = 0.0039062 k( 79) = ( -0.2359482 0.3365155 0.4109918), wk = 0.0039062 k( 80) = ( -0.2265102 0.3230549 0.3945521), wk = 0.0039062 k( 81) = ( -0.2170723 0.3095943 0.3781124), wk = 0.0039062 k( 82) = ( -0.2076344 0.2961336 0.3616727), wk = 0.0039062 k( 83) = ( -0.1981965 0.2826730 0.3452331), wk = 0.0039062 k( 84) = ( -0.1887585 0.2692124 0.3287934), wk = 0.0039062 k( 85) = ( -0.1793206 0.2557518 0.3123537), wk = 0.0039062 k( 86) = ( -0.1698827 0.2422912 0.2959141), wk = 0.0039062 k( 87) = ( -0.1604448 0.2288305 0.2794744), wk = 0.0039062 k( 88) = ( -0.1510068 0.2153699 0.2630347), wk = 0.0039062 k( 89) = ( -0.1415689 0.2019093 0.2465950), wk = 0.0039062 k( 90) = ( -0.1321310 0.1884487 0.2301554), wk = 0.0039062 k( 91) = ( -0.1226930 0.1749881 0.2137157), wk = 0.0039062 k( 92) = ( -0.1132551 0.1615274 0.1972760), wk = 0.0039062 k( 93) = ( -0.1038172 0.1480668 0.1808364), wk = 0.0039062 k( 94) = ( -0.0943793 0.1346062 0.1643967), wk = 0.0039062 k( 95) = ( -0.0849413 0.1211456 0.1479570), wk = 0.0039062 k( 96) = ( -0.0755034 0.1076850 0.1315174), wk = 0.0039062 k( 97) = ( -0.0660655 0.0942243 0.1150777), wk = 0.0039062 k( 98) = ( -0.0566276 0.0807637 0.0986380), wk = 0.0039062 k( 99) = ( -0.0471896 0.0673031 0.0821983), wk = 0.0039062 k( 100) = ( -0.0377517 0.0538425 0.0657587), wk = 0.0039062 k( 101) = ( -0.0283138 0.0403819 0.0493190), wk = 0.0039062 k( 102) = ( -0.0188758 0.0269212 0.0328793), wk = 0.0039062 k( 103) = ( -0.0094379 0.0134606 0.0164397), wk = 0.0039062 k( 104) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039062 k( 105) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039062 k( 106) = ( 0.0192308 0.0134837 0.0000000), wk = 0.0039062 k( 107) = ( 0.0384615 0.0269673 0.0000000), wk = 0.0039062 k( 108) = ( 0.0576923 0.0404510 0.0000000), wk = 0.0039062 k( 109) = ( 0.0769231 0.0539347 0.0000000), wk = 0.0039062 k( 110) = ( 0.0961538 0.0674184 0.0000000), wk = 0.0039062 k( 111) = ( 0.1153846 0.0809020 0.0000000), wk = 0.0039062 k( 112) = ( 0.1346154 0.0943857 0.0000000), wk = 0.0039062 k( 113) = ( 0.1538461 0.1078694 0.0000000), wk = 0.0039062 k( 114) = ( 0.1730769 0.1213531 0.0000000), wk = 0.0039062 k( 115) = ( 0.1923077 0.1348367 0.0000000), wk = 0.0039062 k( 116) = ( 0.2115385 0.1483204 0.0000000), wk = 0.0039062 k( 117) = ( 0.2307692 0.1618041 0.0000000), wk = 0.0039062 k( 118) = ( 0.2500000 0.1752877 0.0000000), wk = 0.0039062 k( 119) = ( 0.2692308 0.1887714 0.0000000), wk = 0.0039062 k( 120) = ( 0.2884615 0.2022551 0.0000000), wk = 0.0039062 k( 121) = ( 0.3076923 0.2157388 0.0000000), wk = 0.0039062 k( 122) = ( 0.3269231 0.2292224 0.0000000), wk = 0.0039062 k( 123) = ( 0.3461538 0.2427061 0.0000000), wk = 0.0039062 k( 124) = ( 0.3653846 0.2561898 0.0000000), wk = 0.0039062 k( 125) = ( 0.3846154 0.2696734 0.0000000), wk = 0.0039062 k( 126) = ( 0.4038462 0.2831571 0.0000000), wk = 0.0039062 k( 127) = ( 0.4230769 0.2966408 0.0000000), wk = 0.0039062 k( 128) = ( 0.4423077 0.3101245 0.0000000), wk = 0.0039062 k( 129) = ( 0.4615385 0.3236081 0.0000000), wk = 0.0039062 k( 130) = ( 0.4807692 0.3370918 0.0000000), wk = 0.0039062 k( 131) = ( 0.5000000 0.3505755 0.0000000), wk = 0.0039062 k( 132) = ( 0.5000000 0.3505755 0.0000000), wk = 0.0039062 k( 133) = ( 0.4905726 0.3640211 0.0164214), wk = 0.0039062 k( 134) = ( 0.4811452 0.3774668 0.0328427), wk = 0.0039062 k( 135) = ( 0.4717177 0.3909124 0.0492641), wk = 0.0039062 k( 136) = ( 0.4622903 0.4043580 0.0656855), wk = 0.0039062 k( 137) = ( 0.4528629 0.4178037 0.0821068), wk = 0.0039062 k( 138) = ( 0.4434355 0.4312493 0.0985282), wk = 0.0039062 k( 139) = ( 0.4340080 0.4446949 0.1149496), wk = 0.0039062 k( 140) = ( 0.4245806 0.4581406 0.1313710), wk = 0.0039062 k( 141) = ( 0.4151532 0.4715862 0.1477923), wk = 0.0039062 k( 142) = ( 0.4057258 0.4850318 0.1642137), wk = 0.0039062 k( 143) = ( 0.3962984 0.4984775 0.1806351), wk = 0.0039062 k( 144) = ( 0.3868709 0.5119231 0.1970564), wk = 0.0039062 k( 145) = ( 0.3774435 0.5253688 0.2134778), wk = 0.0039062 k( 146) = ( 0.3680161 0.5388144 0.2298992), wk = 0.0039062 k( 147) = ( 0.3585887 0.5522600 0.2463205), wk = 0.0039062 k( 148) = ( 0.3491613 0.5657057 0.2627419), wk = 0.0039062 k( 149) = ( 0.3397339 0.5791513 0.2791633), wk = 0.0039062 k( 150) = ( 0.3303064 0.5925969 0.2955847), wk = 0.0039062 k( 151) = ( 0.3208790 0.6060426 0.3120060), wk = 0.0039062 k( 152) = ( 0.3114516 0.6194882 0.3284274), wk = 0.0039062 k( 153) = ( 0.3114516 0.6194882 0.3284274), wk = 0.0039062 k( 154) = ( 0.2906881 0.6136453 0.3355635), wk = 0.0039062 k( 155) = ( 0.2699247 0.6078024 0.3426995), wk = 0.0039062 k( 156) = ( 0.2491613 0.6019594 0.3498356), wk = 0.0039062 k( 157) = ( 0.2283978 0.5961165 0.3569716), wk = 0.0039062 k( 158) = ( 0.2076344 0.5902736 0.3641077), wk = 0.0039062 k( 159) = ( 0.1868710 0.5844307 0.3712437), wk = 0.0039062 k( 160) = ( 0.1661075 0.5785877 0.3783798), wk = 0.0039062 k( 161) = ( 0.1453441 0.5727448 0.3855159), wk = 0.0039062 k( 162) = ( 0.1245806 0.5669019 0.3926519), wk = 0.0039062 k( 163) = ( 0.1038172 0.5610590 0.3997880), wk = 0.0039062 k( 164) = ( 0.0830538 0.5552160 0.4069240), wk = 0.0039062 k( 165) = ( 0.0622903 0.5493731 0.4140601), wk = 0.0039062 k( 166) = ( 0.0415269 0.5435302 0.4211961), wk = 0.0039062 k( 167) = ( 0.0207634 0.5376873 0.4283322), wk = 0.0039062 k( 168) = ( 0.0000000 0.5318443 0.4354683), wk = 0.0039062 k( 169) = ( 0.0000000 0.5318443 0.4354683), wk = 0.0039062 k( 170) = ( 0.0092593 0.5186385 0.4515967), wk = 0.0039062 k( 171) = ( 0.0185185 0.5054327 0.4677252), wk = 0.0039062 k( 172) = ( 0.0277778 0.4922269 0.4838536), wk = 0.0039062 k( 173) = ( 0.0370370 0.4790211 0.4999821), wk = 0.0039062 k( 174) = ( 0.0462963 0.4658153 0.5161105), wk = 0.0039062 k( 175) = ( 0.0555556 0.4526095 0.5322390), wk = 0.0039062 k( 176) = ( 0.0648148 0.4394037 0.5483674), wk = 0.0039062 k( 177) = ( 0.0740741 0.4261979 0.5644959), wk = 0.0039062 k( 178) = ( 0.0833333 0.4129921 0.5806243), wk = 0.0039062 k( 179) = ( 0.0925926 0.3997863 0.5967528), wk = 0.0039062 k( 180) = ( 0.1018518 0.3865805 0.6128812), wk = 0.0039062 k( 181) = ( 0.1111111 0.3733747 0.6290097), wk = 0.0039062 k( 182) = ( 0.1203704 0.3601689 0.6451382), wk = 0.0039062 k( 183) = ( 0.1296296 0.3469631 0.6612666), wk = 0.0039062 k( 184) = ( 0.1388889 0.3337573 0.6773951), wk = 0.0039062 k( 185) = ( 0.1481482 0.3205515 0.6935235), wk = 0.0039062 k( 186) = ( 0.1574074 0.3073457 0.7096520), wk = 0.0039062 k( 187) = ( 0.1666667 0.2941399 0.7257804), wk = 0.0039062 k( 188) = ( 0.1759259 0.2809341 0.7419089), wk = 0.0039062 k( 189) = ( 0.1851852 0.2677283 0.7580373), wk = 0.0039062 k( 190) = ( 0.1944444 0.2545225 0.7741658), wk = 0.0039062 k( 191) = ( 0.2037037 0.2413167 0.7902942), wk = 0.0039062 k( 192) = ( 0.2129630 0.2281109 0.8064227), wk = 0.0039062 k( 193) = ( 0.2222222 0.2149051 0.8225511), wk = 0.0039062 k( 194) = ( 0.2314815 0.2016993 0.8386796), wk = 0.0039062 k( 195) = ( 0.2407407 0.1884935 0.8548081), wk = 0.0039062 k( 196) = ( 0.2500000 0.1752877 0.8709365), wk = 0.0039062 k( 197) = ( 0.2500000 0.1752877 0.8709365), wk = 0.0039062 k( 198) = ( 0.2656250 0.1862432 0.8575564), wk = 0.0039062 k( 199) = ( 0.2812500 0.1971987 0.8441763), wk = 0.0039062 k( 200) = ( 0.2968750 0.2081542 0.8307962), wk = 0.0039062 k( 201) = ( 0.3125000 0.2191097 0.8174161), wk = 0.0039062 k( 202) = ( 0.3281250 0.2300652 0.8040360), wk = 0.0039062 k( 203) = ( 0.3437500 0.2410206 0.7906559), wk = 0.0039062 k( 204) = ( 0.3593750 0.2519761 0.7772758), wk = 0.0039062 k( 205) = ( 0.3750000 0.2629316 0.7638956), wk = 0.0039062 k( 206) = ( 0.3906250 0.2738871 0.7505156), wk = 0.0039062 k( 207) = ( 0.4062500 0.2848426 0.7371354), wk = 0.0039062 k( 208) = ( 0.4218750 0.2957981 0.7237553), wk = 0.0039062 k( 209) = ( 0.4375000 0.3067535 0.7103752), wk = 0.0039062 k( 210) = ( 0.4531250 0.3177090 0.6969951), wk = 0.0039062 k( 211) = ( 0.4687500 0.3286645 0.6836150), wk = 0.0039062 k( 212) = ( 0.4843750 0.3396200 0.6702349), wk = 0.0039062 k( 213) = ( 0.5000000 0.3505755 0.6568548), wk = 0.0039062 k( 214) = ( 0.5000000 0.3505755 0.6568548), wk = 0.0039062 k( 215) = ( 0.5000000 0.3505755 0.6333957), wk = 0.0039062 k( 216) = ( 0.5000000 0.3505755 0.6099366), wk = 0.0039062 k( 217) = ( 0.5000000 0.3505755 0.5864775), wk = 0.0039062 k( 218) = ( 0.5000000 0.3505755 0.5630184), wk = 0.0039062 k( 219) = ( 0.5000000 0.3505755 0.5395593), wk = 0.0039062 k( 220) = ( 0.5000000 0.3505755 0.5161002), wk = 0.0039062 k( 221) = ( 0.5000000 0.3505755 0.4926411), wk = 0.0039062 k( 222) = ( 0.5000000 0.3505755 0.4691820), wk = 0.0039062 k( 223) = ( 0.5000000 0.3505755 0.4457229), wk = 0.0039062 k( 224) = ( 0.5000000 0.3505755 0.4222638), wk = 0.0039062 k( 225) = ( 0.5000000 0.3505755 0.3988047), wk = 0.0039062 k( 226) = ( 0.5000000 0.3505755 0.3753456), wk = 0.0039062 k( 227) = ( 0.5000000 0.3505755 0.3518865), wk = 0.0039062 k( 228) = ( 0.5000000 0.3505755 0.3284274), wk = 0.0039062 k( 229) = ( 0.5000000 0.3505755 0.3049683), wk = 0.0039062 k( 230) = ( 0.5000000 0.3505755 0.2815092), wk = 0.0039062 k( 231) = ( 0.5000000 0.3505755 0.2580501), wk = 0.0039062 k( 232) = ( 0.5000000 0.3505755 0.2345910), wk = 0.0039062 k( 233) = ( 0.5000000 0.3505755 0.2111319), wk = 0.0039062 k( 234) = ( 0.5000000 0.3505755 0.1876728), wk = 0.0039062 k( 235) = ( 0.5000000 0.3505755 0.1642137), wk = 0.0039062 k( 236) = ( 0.5000000 0.3505755 0.1407546), wk = 0.0039062 k( 237) = ( 0.5000000 0.3505755 0.1172955), wk = 0.0039062 k( 238) = ( 0.5000000 0.3505755 0.0938364), wk = 0.0039062 k( 239) = ( 0.5000000 0.3505755 0.0703773), wk = 0.0039062 k( 240) = ( 0.5000000 0.3505755 0.0469182), wk = 0.0039062 k( 241) = ( 0.5000000 0.3505755 0.0234591), wk = 0.0039062 k( 242) = ( 0.5000000 0.3505755 0.0000000), wk = 0.0039062 k( 243) = ( 0.0000000 0.0000000 0.8709365), wk = 0.0039062 k( 244) = ( 0.0192308 0.0134837 0.8709365), wk = 0.0039062 k( 245) = ( 0.0384615 0.0269673 0.8709365), wk = 0.0039062 k( 246) = ( 0.0576923 0.0404510 0.8709365), wk = 0.0039062 k( 247) = ( 0.0769231 0.0539347 0.8709365), wk = 0.0039062 k( 248) = ( 0.0961538 0.0674184 0.8709365), wk = 0.0039062 k( 249) = ( 0.1153846 0.0809020 0.8709365), wk = 0.0039062 k( 250) = ( 0.1346154 0.0943857 0.8709365), wk = 0.0039062 k( 251) = ( 0.1538461 0.1078694 0.8709365), wk = 0.0039062 k( 252) = ( 0.1730769 0.1213531 0.8709365), wk = 0.0039062 k( 253) = ( 0.1923077 0.1348367 0.8709365), wk = 0.0039062 k( 254) = ( 0.2115385 0.1483204 0.8709365), wk = 0.0039062 k( 255) = ( 0.2307692 0.1618041 0.8709365), wk = 0.0039062 k( 256) = ( 0.2500000 0.1752877 0.8709365), wk = 0.0039062 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039062 k( 2) = ( 0.0000000 0.0000000 0.0135135), wk = 0.0039062 k( 3) = ( 0.0000000 0.0000000 0.0270270), wk = 0.0039062 k( 4) = ( 0.0000000 0.0000000 0.0405405), wk = 0.0039062 k( 5) = ( 0.0000000 0.0000000 0.0540540), wk = 0.0039062 k( 6) = ( 0.0000000 0.0000000 0.0675676), wk = 0.0039062 k( 7) = ( 0.0000000 0.0000000 0.0810811), wk = 0.0039062 k( 8) = ( 0.0000000 0.0000000 0.0945946), wk = 0.0039062 k( 9) = ( 0.0000000 0.0000000 0.1081081), wk = 0.0039062 k( 10) = ( 0.0000000 0.0000000 0.1216216), wk = 0.0039062 k( 11) = ( 0.0000000 0.0000000 0.1351351), wk = 0.0039062 k( 12) = ( 0.0000000 0.0000000 0.1486486), wk = 0.0039062 k( 13) = ( 0.0000000 0.0000000 0.1621622), wk = 0.0039062 k( 14) = ( 0.0000000 0.0000000 0.1756757), wk = 0.0039062 k( 15) = ( 0.0000000 0.0000000 0.1891892), wk = 0.0039062 k( 16) = ( 0.0000000 0.0000000 0.2027027), wk = 0.0039062 k( 17) = ( 0.0000000 0.0000000 0.2162162), wk = 0.0039062 k( 18) = ( 0.0000000 0.0000000 0.2297297), wk = 0.0039062 k( 19) = ( 0.0000000 0.0000000 0.2432432), wk = 0.0039062 k( 20) = ( 0.0000000 0.0000000 0.2567568), wk = 0.0039062 k( 21) = ( 0.0000000 0.0000000 0.2702703), wk = 0.0039062 k( 22) = ( 0.0000000 0.0000000 0.2837838), wk = 0.0039062 k( 23) = ( 0.0000000 0.0000000 0.2972973), wk = 0.0039062 k( 24) = ( 0.0000000 0.0000000 0.3108108), wk = 0.0039062 k( 25) = ( 0.0000000 0.0000000 0.3243243), wk = 0.0039062 k( 26) = ( 0.0000000 0.0000000 0.3378378), wk = 0.0039062 k( 27) = ( 0.0000000 0.0000000 0.3513514), wk = 0.0039062 k( 28) = ( 0.0000000 0.0000000 0.3648649), wk = 0.0039062 k( 29) = ( 0.0000000 0.0000000 0.3783784), wk = 0.0039062 k( 30) = ( 0.0000000 0.0000000 0.3918919), wk = 0.0039062 k( 31) = ( 0.0000000 0.0000000 0.4054054), wk = 0.0039062 k( 32) = ( 0.0000000 0.0000000 0.4189189), wk = 0.0039062 k( 33) = ( 0.0000000 0.0000000 0.4324324), wk = 0.0039062 k( 34) = ( 0.0000000 0.0000000 0.4459459), wk = 0.0039062 k( 35) = ( 0.0000000 0.0000000 0.4594595), wk = 0.0039062 k( 36) = ( 0.0000000 0.0000000 0.4729730), wk = 0.0039062 k( 37) = ( 0.0000000 0.0000000 0.4864865), wk = 0.0039062 k( 38) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0039062 k( 39) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0039062 k( 40) = ( -0.0122903 0.0122903 0.5000000), wk = 0.0039062 k( 41) = ( -0.0245806 0.0245806 0.5000000), wk = 0.0039062 k( 42) = ( -0.0368709 0.0368709 0.5000000), wk = 0.0039062 k( 43) = ( -0.0491613 0.0491613 0.5000000), wk = 0.0039062 k( 44) = ( -0.0614516 0.0614516 0.5000000), wk = 0.0039062 k( 45) = ( -0.0737419 0.0737419 0.5000000), wk = 0.0039062 k( 46) = ( -0.0860322 0.0860322 0.5000000), wk = 0.0039062 k( 47) = ( -0.0983225 0.0983225 0.5000000), wk = 0.0039062 k( 48) = ( -0.1106128 0.1106128 0.5000000), wk = 0.0039062 k( 49) = ( -0.1229032 0.1229032 0.5000000), wk = 0.0039062 k( 50) = ( -0.1229032 0.1229032 0.5000000), wk = 0.0039062 k( 51) = ( -0.1323306 0.1323306 0.4905726), wk = 0.0039062 k( 52) = ( -0.1417580 0.1417580 0.4811452), wk = 0.0039062 k( 53) = ( -0.1511854 0.1511854 0.4717177), wk = 0.0039062 k( 54) = ( -0.1606129 0.1606129 0.4622903), wk = 0.0039062 k( 55) = ( -0.1700403 0.1700403 0.4528629), wk = 0.0039062 k( 56) = ( -0.1794677 0.1794677 0.4434355), wk = 0.0039062 k( 57) = ( -0.1888951 0.1888951 0.4340080), wk = 0.0039062 k( 58) = ( -0.1983225 0.1983225 0.4245806), wk = 0.0039062 k( 59) = ( -0.2077500 0.2077500 0.4151532), wk = 0.0039062 k( 60) = ( -0.2171774 0.2171774 0.4057258), wk = 0.0039062 k( 61) = ( -0.2266048 0.2266048 0.3962984), wk = 0.0039062 k( 62) = ( -0.2360322 0.2360322 0.3868710), wk = 0.0039062 k( 63) = ( -0.2454596 0.2454596 0.3774435), wk = 0.0039062 k( 64) = ( -0.2548871 0.2548871 0.3680161), wk = 0.0039062 k( 65) = ( -0.2643145 0.2643145 0.3585887), wk = 0.0039062 k( 66) = ( -0.2737419 0.2737419 0.3491613), wk = 0.0039062 k( 67) = ( -0.2831693 0.2831693 0.3397339), wk = 0.0039062 k( 68) = ( -0.2925967 0.2925967 0.3303064), wk = 0.0039062 k( 69) = ( -0.3020242 0.3020242 0.3208790), wk = 0.0039062 k( 70) = ( -0.3114516 0.3114516 0.3114516), wk = 0.0039062 k( 71) = ( -0.3114516 0.3114516 0.3114516), wk = 0.0039062 k( 72) = ( -0.3020137 0.3020137 0.3020137), wk = 0.0039062 k( 73) = ( -0.2925757 0.2925757 0.2925757), wk = 0.0039062 k( 74) = ( -0.2831378 0.2831378 0.2831378), wk = 0.0039062 k( 75) = ( -0.2736999 0.2736999 0.2736999), wk = 0.0039062 k( 76) = ( -0.2642620 0.2642619 0.2642620), wk = 0.0039062 k( 77) = ( -0.2548240 0.2548240 0.2548240), wk = 0.0039062 k( 78) = ( -0.2453861 0.2453861 0.2453861), wk = 0.0039062 k( 79) = ( -0.2359482 0.2359482 0.2359482), wk = 0.0039062 k( 80) = ( -0.2265102 0.2265102 0.2265102), wk = 0.0039062 k( 81) = ( -0.2170723 0.2170723 0.2170723), wk = 0.0039062 k( 82) = ( -0.2076344 0.2076344 0.2076344), wk = 0.0039062 k( 83) = ( -0.1981965 0.1981965 0.1981965), wk = 0.0039062 k( 84) = ( -0.1887585 0.1887585 0.1887585), wk = 0.0039062 k( 85) = ( -0.1793206 0.1793206 0.1793206), wk = 0.0039062 k( 86) = ( -0.1698827 0.1698827 0.1698827), wk = 0.0039062 k( 87) = ( -0.1604448 0.1604448 0.1604448), wk = 0.0039062 k( 88) = ( -0.1510068 0.1510068 0.1510068), wk = 0.0039062 k( 89) = ( -0.1415689 0.1415689 0.1415689), wk = 0.0039062 k( 90) = ( -0.1321310 0.1321310 0.1321310), wk = 0.0039062 k( 91) = ( -0.1226930 0.1226930 0.1226931), wk = 0.0039062 k( 92) = ( -0.1132551 0.1132551 0.1132551), wk = 0.0039062 k( 93) = ( -0.1038172 0.1038172 0.1038172), wk = 0.0039062 k( 94) = ( -0.0943793 0.0943793 0.0943793), wk = 0.0039062 k( 95) = ( -0.0849413 0.0849413 0.0849413), wk = 0.0039062 k( 96) = ( -0.0755034 0.0755034 0.0755034), wk = 0.0039062 k( 97) = ( -0.0660655 0.0660655 0.0660655), wk = 0.0039062 k( 98) = ( -0.0566276 0.0566276 0.0566276), wk = 0.0039062 k( 99) = ( -0.0471896 0.0471896 0.0471896), wk = 0.0039062 k( 100) = ( -0.0377517 0.0377517 0.0377517), wk = 0.0039062 k( 101) = ( -0.0283138 0.0283138 0.0283138), wk = 0.0039062 k( 102) = ( -0.0188758 0.0188758 0.0188759), wk = 0.0039062 k( 103) = ( -0.0094379 0.0094379 0.0094379), wk = 0.0039062 k( 104) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039062 k( 105) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039062 k( 106) = ( 0.0192308 0.0192308 -0.0192308), wk = 0.0039062 k( 107) = ( 0.0384615 0.0384615 -0.0384615), wk = 0.0039062 k( 108) = ( 0.0576923 0.0576923 -0.0576923), wk = 0.0039062 k( 109) = ( 0.0769231 0.0769231 -0.0769231), wk = 0.0039062 k( 110) = ( 0.0961538 0.0961538 -0.0961538), wk = 0.0039062 k( 111) = ( 0.1153846 0.1153846 -0.1153846), wk = 0.0039062 k( 112) = ( 0.1346154 0.1346154 -0.1346154), wk = 0.0039062 k( 113) = ( 0.1538461 0.1538461 -0.1538461), wk = 0.0039062 k( 114) = ( 0.1730769 0.1730769 -0.1730769), wk = 0.0039062 k( 115) = ( 0.1923077 0.1923077 -0.1923077), wk = 0.0039062 k( 116) = ( 0.2115385 0.2115385 -0.2115385), wk = 0.0039062 k( 117) = ( 0.2307692 0.2307692 -0.2307692), wk = 0.0039062 k( 118) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0039062 k( 119) = ( 0.2692308 0.2692308 -0.2692308), wk = 0.0039062 k( 120) = ( 0.2884615 0.2884615 -0.2884615), wk = 0.0039062 k( 121) = ( 0.3076923 0.3076923 -0.3076923), wk = 0.0039062 k( 122) = ( 0.3269231 0.3269231 -0.3269231), wk = 0.0039062 k( 123) = ( 0.3461538 0.3461538 -0.3461538), wk = 0.0039062 k( 124) = ( 0.3653846 0.3653846 -0.3653846), wk = 0.0039062 k( 125) = ( 0.3846154 0.3846154 -0.3846154), wk = 0.0039062 k( 126) = ( 0.4038462 0.4038462 -0.4038461), wk = 0.0039062 k( 127) = ( 0.4230769 0.4230769 -0.4230769), wk = 0.0039062 k( 128) = ( 0.4423077 0.4423077 -0.4423077), wk = 0.0039062 k( 129) = ( 0.4615385 0.4615385 -0.4615385), wk = 0.0039062 k( 130) = ( 0.4807692 0.4807692 -0.4807692), wk = 0.0039062 k( 131) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0039062 k( 132) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0039062 k( 133) = ( 0.4905726 0.5094274 -0.4905726), wk = 0.0039062 k( 134) = ( 0.4811452 0.5188548 -0.4811452), wk = 0.0039062 k( 135) = ( 0.4717177 0.5282823 -0.4717177), wk = 0.0039062 k( 136) = ( 0.4622903 0.5377097 -0.4622903), wk = 0.0039062 k( 137) = ( 0.4528629 0.5471371 -0.4528629), wk = 0.0039062 k( 138) = ( 0.4434355 0.5565645 -0.4434355), wk = 0.0039062 k( 139) = ( 0.4340080 0.5659919 -0.4340081), wk = 0.0039062 k( 140) = ( 0.4245806 0.5754194 -0.4245806), wk = 0.0039062 k( 141) = ( 0.4151532 0.5848468 -0.4151532), wk = 0.0039062 k( 142) = ( 0.4057258 0.5942742 -0.4057258), wk = 0.0039062 k( 143) = ( 0.3962984 0.6037016 -0.3962984), wk = 0.0039062 k( 144) = ( 0.3868709 0.6131290 -0.3868710), wk = 0.0039062 k( 145) = ( 0.3774435 0.6225565 -0.3774435), wk = 0.0039062 k( 146) = ( 0.3680161 0.6319839 -0.3680161), wk = 0.0039062 k( 147) = ( 0.3585887 0.6414113 -0.3585887), wk = 0.0039062 k( 148) = ( 0.3491613 0.6508387 -0.3491613), wk = 0.0039062 k( 149) = ( 0.3397339 0.6602661 -0.3397338), wk = 0.0039062 k( 150) = ( 0.3303064 0.6696936 -0.3303064), wk = 0.0039062 k( 151) = ( 0.3208790 0.6791210 -0.3208790), wk = 0.0039062 k( 152) = ( 0.3114516 0.6885484 -0.3114516), wk = 0.0039062 k( 153) = ( 0.3114516 0.6885484 -0.3114516), wk = 0.0039062 k( 154) = ( 0.2906881 0.6759785 -0.2906881), wk = 0.0039062 k( 155) = ( 0.2699247 0.6634086 -0.2699247), wk = 0.0039062 k( 156) = ( 0.2491613 0.6508387 -0.2491613), wk = 0.0039062 k( 157) = ( 0.2283978 0.6382688 -0.2283978), wk = 0.0039062 k( 158) = ( 0.2076344 0.6256989 -0.2076344), wk = 0.0039062 k( 159) = ( 0.1868710 0.6131290 -0.1868709), wk = 0.0039062 k( 160) = ( 0.1661075 0.6005591 -0.1661075), wk = 0.0039062 k( 161) = ( 0.1453441 0.5879893 -0.1453441), wk = 0.0039062 k( 162) = ( 0.1245806 0.5754194 -0.1245806), wk = 0.0039062 k( 163) = ( 0.1038172 0.5628495 -0.1038172), wk = 0.0039062 k( 164) = ( 0.0830538 0.5502796 -0.0830538), wk = 0.0039062 k( 165) = ( 0.0622903 0.5377097 -0.0622903), wk = 0.0039062 k( 166) = ( 0.0415269 0.5251398 -0.0415269), wk = 0.0039062 k( 167) = ( 0.0207634 0.5125699 -0.0207634), wk = 0.0039062 k( 168) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0039062 k( 169) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0039062 k( 170) = ( 0.0092593 0.4907407 0.0092593), wk = 0.0039062 k( 171) = ( 0.0185185 0.4814815 0.0185185), wk = 0.0039062 k( 172) = ( 0.0277778 0.4722222 0.0277778), wk = 0.0039062 k( 173) = ( 0.0370370 0.4629630 0.0370370), wk = 0.0039062 k( 174) = ( 0.0462963 0.4537037 0.0462963), wk = 0.0039062 k( 175) = ( 0.0555556 0.4444444 0.0555556), wk = 0.0039062 k( 176) = ( 0.0648148 0.4351852 0.0648148), wk = 0.0039062 k( 177) = ( 0.0740741 0.4259259 0.0740741), wk = 0.0039062 k( 178) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0039062 k( 179) = ( 0.0925926 0.4074074 0.0925926), wk = 0.0039062 k( 180) = ( 0.1018518 0.3981481 0.1018518), wk = 0.0039062 k( 181) = ( 0.1111111 0.3888889 0.1111111), wk = 0.0039062 k( 182) = ( 0.1203704 0.3796296 0.1203704), wk = 0.0039062 k( 183) = ( 0.1296296 0.3703704 0.1296296), wk = 0.0039062 k( 184) = ( 0.1388889 0.3611111 0.1388889), wk = 0.0039062 k( 185) = ( 0.1481482 0.3518518 0.1481482), wk = 0.0039062 k( 186) = ( 0.1574074 0.3425926 0.1574074), wk = 0.0039062 k( 187) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0039062 k( 188) = ( 0.1759259 0.3240741 0.1759259), wk = 0.0039062 k( 189) = ( 0.1851852 0.3148148 0.1851852), wk = 0.0039062 k( 190) = ( 0.1944444 0.3055556 0.1944444), wk = 0.0039062 k( 191) = ( 0.2037037 0.2962963 0.2037037), wk = 0.0039062 k( 192) = ( 0.2129630 0.2870370 0.2129630), wk = 0.0039062 k( 193) = ( 0.2222222 0.2777778 0.2222222), wk = 0.0039062 k( 194) = ( 0.2314815 0.2685185 0.2314815), wk = 0.0039062 k( 195) = ( 0.2407407 0.2592593 0.2407407), wk = 0.0039062 k( 196) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0039062 k( 197) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0039062 k( 198) = ( 0.2656250 0.2656250 0.2266936), wk = 0.0039062 k( 199) = ( 0.2812500 0.2812500 0.2033871), wk = 0.0039062 k( 200) = ( 0.2968750 0.2968750 0.1800807), wk = 0.0039062 k( 201) = ( 0.3125000 0.3125000 0.1567742), wk = 0.0039062 k( 202) = ( 0.3281250 0.3281250 0.1334678), wk = 0.0039062 k( 203) = ( 0.3437500 0.3437500 0.1101613), wk = 0.0039062 k( 204) = ( 0.3593750 0.3593750 0.0868549), wk = 0.0039062 k( 205) = ( 0.3750000 0.3750000 0.0635484), wk = 0.0039062 k( 206) = ( 0.3906250 0.3906250 0.0402420), wk = 0.0039062 k( 207) = ( 0.4062500 0.4062500 0.0169355), wk = 0.0039062 k( 208) = ( 0.4218750 0.4218750 -0.0063709), wk = 0.0039062 k( 209) = ( 0.4375000 0.4375000 -0.0296774), wk = 0.0039062 k( 210) = ( 0.4531250 0.4531250 -0.0529838), wk = 0.0039062 k( 211) = ( 0.4687500 0.4687500 -0.0762903), wk = 0.0039062 k( 212) = ( 0.4843750 0.4843750 -0.0995967), wk = 0.0039062 k( 213) = ( 0.5000000 0.5000000 -0.1229032), wk = 0.0039062 k( 214) = ( 0.5000000 0.5000000 -0.1229032), wk = 0.0039062 k( 215) = ( 0.5000000 0.5000000 -0.1363709), wk = 0.0039062 k( 216) = ( 0.5000000 0.5000000 -0.1498387), wk = 0.0039062 k( 217) = ( 0.5000000 0.5000000 -0.1633064), wk = 0.0039062 k( 218) = ( 0.5000000 0.5000000 -0.1767742), wk = 0.0039062 k( 219) = ( 0.5000000 0.5000000 -0.1902419), wk = 0.0039062 k( 220) = ( 0.5000000 0.5000000 -0.2037096), wk = 0.0039062 k( 221) = ( 0.5000000 0.5000000 -0.2171774), wk = 0.0039062 k( 222) = ( 0.5000000 0.5000000 -0.2306451), wk = 0.0039062 k( 223) = ( 0.5000000 0.5000000 -0.2441129), wk = 0.0039062 k( 224) = ( 0.5000000 0.5000000 -0.2575806), wk = 0.0039062 k( 225) = ( 0.5000000 0.5000000 -0.2710484), wk = 0.0039062 k( 226) = ( 0.5000000 0.5000000 -0.2845161), wk = 0.0039062 k( 227) = ( 0.5000000 0.5000000 -0.2979838), wk = 0.0039062 k( 228) = ( 0.5000000 0.5000000 -0.3114516), wk = 0.0039062 k( 229) = ( 0.5000000 0.5000000 -0.3249193), wk = 0.0039062 k( 230) = ( 0.5000000 0.5000000 -0.3383871), wk = 0.0039062 k( 231) = ( 0.5000000 0.5000000 -0.3518548), wk = 0.0039062 k( 232) = ( 0.5000000 0.5000000 -0.3653226), wk = 0.0039062 k( 233) = ( 0.5000000 0.5000000 -0.3787903), wk = 0.0039062 k( 234) = ( 0.5000000 0.5000000 -0.3922581), wk = 0.0039062 k( 235) = ( 0.5000000 0.5000000 -0.4057258), wk = 0.0039062 k( 236) = ( 0.5000000 0.5000000 -0.4191935), wk = 0.0039062 k( 237) = ( 0.5000000 0.5000000 -0.4326613), wk = 0.0039062 k( 238) = ( 0.5000000 0.5000000 -0.4461290), wk = 0.0039062 k( 239) = ( 0.5000000 0.5000000 -0.4595968), wk = 0.0039062 k( 240) = ( 0.5000000 0.5000000 -0.4730645), wk = 0.0039062 k( 241) = ( 0.5000000 0.5000000 -0.4865323), wk = 0.0039062 k( 242) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0039062 k( 243) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0039062 k( 244) = ( 0.0192308 0.0192308 0.4807692), wk = 0.0039062 k( 245) = ( 0.0384615 0.0384615 0.4615385), wk = 0.0039062 k( 246) = ( 0.0576923 0.0576923 0.4423077), wk = 0.0039062 k( 247) = ( 0.0769231 0.0769231 0.4230769), wk = 0.0039062 k( 248) = ( 0.0961538 0.0961538 0.4038461), wk = 0.0039062 k( 249) = ( 0.1153846 0.1153846 0.3846154), wk = 0.0039062 k( 250) = ( 0.1346154 0.1346154 0.3653846), wk = 0.0039062 k( 251) = ( 0.1538461 0.1538461 0.3461538), wk = 0.0039062 k( 252) = ( 0.1730769 0.1730769 0.3269231), wk = 0.0039062 k( 253) = ( 0.1923077 0.1923077 0.3076923), wk = 0.0039062 k( 254) = ( 0.2115385 0.2115385 0.2884615), wk = 0.0039062 k( 255) = ( 0.2307692 0.2307692 0.2692308), wk = 0.0039062 k( 256) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0039062 Dense grid: 211091 G-vectors FFT dimensions: ( 96, 96, 96) Smooth grid: 56051 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.23 Mb ( 296, 50) NL pseudopotentials 0.37 Mb ( 148, 166) Each V/rho on FFT grid 0.28 Mb ( 18432) Each G-vector array 0.03 Mb ( 4397) G-vector shells 0.02 Mb ( 2033) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.90 Mb ( 296, 200) Each subspace H/S matrix 0.61 Mb ( 200, 200) Each matrix 0.25 Mb ( 166, 2, 50) The potential is recalculated from file : ./Al2HgTe4.save/charge-density.dat Starting wfc are 66 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 49.3 secs Computing kpt #: 2 total cpu time spent up to now is 54.1 secs Computing kpt #: 3 total cpu time spent up to now is 58.8 secs Computing kpt #: 4 total cpu time spent up to now is 63.4 secs Computing kpt #: 5 total cpu time spent up to now is 67.8 secs Computing kpt #: 6 total cpu time spent up to now is 72.2 secs Computing kpt #: 7 total cpu time spent up to now is 76.4 secs Computing kpt #: 8 total cpu time spent up to now is 81.1 secs Computing kpt #: 9 total cpu time spent up to now is 86.5 secs Computing kpt #: 10 total cpu time spent up to now is 91.1 secs Computing kpt #: 11 total cpu time spent up to now is 95.2 secs Computing kpt #: 12 total cpu time spent up to now is 99.4 secs Computing kpt #: 13 total cpu time spent up to now is 103.6 secs Computing kpt #: 14 total cpu time spent up to now is 108.2 secs Computing kpt #: 15 total cpu time spent up to now is 112.8 secs Computing kpt #: 16 total cpu time spent up to now is 117.5 secs Computing kpt #: 17 total cpu time spent up to now is 122.2 secs Computing kpt #: 18 total cpu time spent up to now is 126.9 secs Computing kpt #: 19 total cpu time spent up to now is 131.5 secs Computing kpt #: 20 total cpu time spent up to now is 135.7 secs Computing kpt #: 21 total cpu time spent up to now is 140.3 secs Computing kpt #: 22 total cpu time spent up to now is 144.7 secs Computing kpt #: 23 total cpu time spent up to now is 149.2 secs Computing kpt #: 24 total cpu time spent up to now is 153.6 secs Computing kpt #: 25 total cpu time spent up to now is 158.1 secs Computing kpt #: 26 total cpu time spent up to now is 162.5 secs Computing kpt #: 27 total cpu time spent up to now is 167.0 secs Computing kpt #: 28 total cpu time spent up to now is 171.6 secs Computing kpt #: 29 total cpu time spent up to now is 176.1 secs Computing kpt #: 30 total cpu time spent up to now is 180.8 secs Computing kpt #: 31 total cpu time spent up to now is 185.9 secs Computing kpt #: 32 total cpu time spent up to now is 191.1 secs Computing kpt #: 33 total cpu time spent up to now is 196.5 secs Computing kpt #: 34 total cpu time spent up to now is 201.8 secs Computing kpt #: 35 total cpu time spent up to now is 208.6 secs Computing kpt #: 36 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 215.6 secs Computing kpt #: 37 total cpu time spent up to now is 221.7 secs Computing kpt #: 38 total cpu time spent up to now is 228.1 secs Computing kpt #: 39 total cpu time spent up to now is 234.0 secs Computing kpt #: 40 total cpu time spent up to now is 240.1 secs Computing kpt #: 41 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 248.8 secs Computing kpt #: 42 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 255.6 secs Computing kpt #: 43 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 262.7 secs Computing kpt #: 44 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 269.3 secs Computing kpt #: 45 total cpu time spent up to now is 275.1 secs Computing kpt #: 46 total cpu time spent up to now is 279.9 secs Computing kpt #: 47 total cpu time spent up to now is 284.7 secs Computing kpt #: 48 total cpu time spent up to now is 289.3 secs Computing kpt #: 49 total cpu time spent up to now is 293.9 secs Computing kpt #: 50 total cpu time spent up to now is 298.4 secs Computing kpt #: 51 total cpu time spent up to now is 303.1 secs Computing kpt #: 52 total cpu time spent up to now is 307.7 secs Computing kpt #: 53 total cpu time spent up to now is 312.3 secs Computing kpt #: 54 total cpu time spent up to now is 316.9 secs Computing kpt #: 55 total cpu time spent up to now is 321.1 secs Computing kpt #: 56 total cpu time spent up to now is 325.3 secs Computing kpt #: 57 total cpu time spent up to now is 329.4 secs Computing kpt #: 58 total cpu time spent up to now is 333.5 secs Computing kpt #: 59 total cpu time spent up to now is 337.6 secs Computing kpt #: 60 total cpu time spent up to now is 341.7 secs Computing kpt #: 61 total cpu time spent up to now is 345.7 secs Computing kpt #: 62 total cpu time spent up to now is 349.8 secs Computing kpt #: 63 total cpu time spent up to now is 353.9 secs Computing kpt #: 64 total cpu time spent up to now is 358.0 secs Computing kpt #: 65 total cpu time spent up to now is 361.9 secs Computing kpt #: 66 total cpu time spent up to now is 366.0 secs Computing kpt #: 67 total cpu time spent up to now is 370.0 secs Computing kpt #: 68 total cpu time spent up to now is 374.1 secs Computing kpt #: 69 total cpu time spent up to now is 378.1 secs Computing kpt #: 70 total cpu time spent up to now is 382.2 secs Computing kpt #: 71 total cpu time spent up to now is 388.9 secs Computing kpt #: 72 total cpu time spent up to now is 393.2 secs Computing kpt #: 73 total cpu time spent up to now is 397.1 secs Computing kpt #: 74 total cpu time spent up to now is 401.1 secs Computing kpt #: 75 total cpu time spent up to now is 405.0 secs Computing kpt #: 76 total cpu time spent up to now is 408.9 secs Computing kpt #: 77 total cpu time spent up to now is 412.8 secs Computing kpt #: 78 total cpu time spent up to now is 416.7 secs Computing kpt #: 79 total cpu time spent up to now is 420.6 secs Computing kpt #: 80 total cpu time spent up to now is 424.6 secs Computing kpt #: 81 total cpu time spent up to now is 428.5 secs Computing kpt #: 82 total cpu time spent up to now is 432.4 secs Computing kpt #: 83 total cpu time spent up to now is 436.5 secs Computing kpt #: 84 total cpu time spent up to now is 440.6 secs Computing kpt #: 85 total cpu time spent up to now is 444.9 secs Computing kpt #: 86 total cpu time spent up to now is 449.2 secs Computing kpt #: 87 total cpu time spent up to now is 453.6 secs Computing kpt #: 88 total cpu time spent up to now is 458.1 secs Computing kpt #: 89 total cpu time spent up to now is 462.5 secs Computing kpt #: 90 total cpu time spent up to now is 466.8 secs Computing kpt #: 91 total cpu time spent up to now is 471.1 secs Computing kpt #: 92 total cpu time spent up to now is 475.5 secs Computing kpt #: 93 total cpu time spent up to now is 479.8 secs Computing kpt #: 94 total cpu time spent up to now is 484.4 secs Computing kpt #: 95 total cpu time spent up to now is 488.9 secs Computing kpt #: 96 total cpu time spent up to now is 493.4 secs Computing kpt #: 97 total cpu time spent up to now is 498.0 secs Computing kpt #: 98 total cpu time spent up to now is 503.1 secs Computing kpt #: 99 total cpu time spent up to now is 507.6 secs Computing kpt #: 100 total cpu time spent up to now is 512.4 secs Computing kpt #: 101 total cpu time spent up to now is 516.9 secs Computing kpt #: 102 total cpu time spent up to now is 521.7 secs Computing kpt #: 103 total cpu time spent up to now is 526.4 secs Computing kpt #: 104 total cpu time spent up to now is 530.9 secs Computing kpt #: 105 total cpu time spent up to now is 535.6 secs Computing kpt #: 106 total cpu time spent up to now is 540.1 secs Computing kpt #: 107 total cpu time spent up to now is 545.3 secs Computing kpt #: 108 total cpu time spent up to now is 550.0 secs Computing kpt #: 109 total cpu time spent up to now is 554.8 secs Computing kpt #: 110 total cpu time spent up to now is 559.8 secs Computing kpt #: 111 total cpu time spent up to now is 564.5 secs Computing kpt #: 112 total cpu time spent up to now is 569.3 secs Computing kpt #: 113 total cpu time spent up to now is 573.8 secs Computing kpt #: 114 total cpu time spent up to now is 578.0 secs Computing kpt #: 115 total cpu time spent up to now is 582.5 secs Computing kpt #: 116 total cpu time spent up to now is 586.8 secs Computing kpt #: 117 total cpu time spent up to now is 591.0 secs Computing kpt #: 118 total cpu time spent up to now is 595.5 secs Computing kpt #: 119 total cpu time spent up to now is 600.1 secs Computing kpt #: 120 total cpu time spent up to now is 604.9 secs Computing kpt #: 121 total cpu time spent up to now is 609.4 secs Computing kpt #: 122 total cpu time spent up to now is 613.9 secs Computing kpt #: 123 total cpu time spent up to now is 618.1 secs Computing kpt #: 124 total cpu time spent up to now is 622.3 secs Computing kpt #: 125 total cpu time spent up to now is 626.4 secs Computing kpt #: 126 total cpu time spent up to now is 630.7 secs Computing kpt #: 127 total cpu time spent up to now is 634.8 secs Computing kpt #: 128 total cpu time spent up to now is 638.8 secs Computing kpt #: 129 total cpu time spent up to now is 642.9 secs Computing kpt #: 130 total cpu time spent up to now is 647.0 secs Computing kpt #: 131 total cpu time spent up to now is 651.0 secs Computing kpt #: 132 total cpu time spent up to now is 655.1 secs Computing kpt #: 133 total cpu time spent up to now is 659.1 secs Computing kpt #: 134 total cpu time spent up to now is 663.3 secs Computing kpt #: 135 total cpu time spent up to now is 667.5 secs Computing kpt #: 136 total cpu time spent up to now is 671.7 secs Computing kpt #: 137 total cpu time spent up to now is 675.9 secs Computing kpt #: 138 total cpu time spent up to now is 680.1 secs Computing kpt #: 139 total cpu time spent up to now is 685.9 secs Computing kpt #: 140 total cpu time spent up to now is 691.3 secs Computing kpt #: 141 total cpu time spent up to now is 695.5 secs Computing kpt #: 142 total cpu time spent up to now is 699.6 secs Computing kpt #: 143 total cpu time spent up to now is 703.8 secs Computing kpt #: 144 total cpu time spent up to now is 708.2 secs Computing kpt #: 145 total cpu time spent up to now is 712.3 secs Computing kpt #: 146 total cpu time spent up to now is 716.5 secs Computing kpt #: 147 total cpu time spent up to now is 720.6 secs Computing kpt #: 148 total cpu time spent up to now is 724.6 secs Computing kpt #: 149 total cpu time spent up to now is 728.8 secs Computing kpt #: 150 total cpu time spent up to now is 732.7 secs Computing kpt #: 151 total cpu time spent up to now is 736.7 secs Computing kpt #: 152 total cpu time spent up to now is 740.7 secs Computing kpt #: 153 total cpu time spent up to now is 744.7 secs Computing kpt #: 154 total cpu time spent up to now is 748.7 secs Computing kpt #: 155 total cpu time spent up to now is 752.8 secs Computing kpt #: 156 total cpu time spent up to now is 756.7 secs Computing kpt #: 157 total cpu time spent up to now is 760.7 secs Computing kpt #: 158 total cpu time spent up to now is 764.8 secs Computing kpt #: 159 total cpu time spent up to now is 768.9 secs Computing kpt #: 160 total cpu time spent up to now is 772.9 secs Computing kpt #: 161 total cpu time spent up to now is 777.0 secs Computing kpt #: 162 total cpu time spent up to now is 781.1 secs Computing kpt #: 163 total cpu time spent up to now is 785.1 secs Computing kpt #: 164 total cpu time spent up to now is 789.1 secs Computing kpt #: 165 total cpu time spent up to now is 793.3 secs Computing kpt #: 166 total cpu time spent up to now is 797.4 secs Computing kpt #: 167 total cpu time spent up to now is 801.6 secs Computing kpt #: 168 total cpu time spent up to now is 805.7 secs Computing kpt #: 169 total cpu time spent up to now is 809.9 secs Computing kpt #: 170 total cpu time spent up to now is 814.1 secs Computing kpt #: 171 total cpu time spent up to now is 818.3 secs Computing kpt #: 172 total cpu time spent up to now is 822.7 secs Computing kpt #: 173 total cpu time spent up to now is 826.9 secs Computing kpt #: 174 total cpu time spent up to now is 831.1 secs Computing kpt #: 175 total cpu time spent up to now is 835.3 secs Computing kpt #: 176 total cpu time spent up to now is 839.5 secs Computing kpt #: 177 total cpu time spent up to now is 843.6 secs Computing kpt #: 178 total cpu time spent up to now is 847.8 secs Computing kpt #: 179 total cpu time spent up to now is 852.2 secs Computing kpt #: 180 total cpu time spent up to now is 856.3 secs Computing kpt #: 181 total cpu time spent up to now is 860.4 secs Computing kpt #: 182 total cpu time spent up to now is 864.5 secs Computing kpt #: 183 total cpu time spent up to now is 868.6 secs Computing kpt #: 184 total cpu time spent up to now is 872.7 secs Computing kpt #: 185 total cpu time spent up to now is 876.8 secs Computing kpt #: 186 total cpu time spent up to now is 881.1 secs Computing kpt #: 187 total cpu time spent up to now is 885.3 secs Computing kpt #: 188 total cpu time spent up to now is 889.5 secs Computing kpt #: 189 total cpu time spent up to now is 893.9 secs Computing kpt #: 190 total cpu time spent up to now is 898.5 secs Computing kpt #: 191 total cpu time spent up to now is 903.0 secs Computing kpt #: 192 total cpu time spent up to now is 907.5 secs Computing kpt #: 193 total cpu time spent up to now is 912.1 secs Computing kpt #: 194 total cpu time spent up to now is 916.7 secs Computing kpt #: 195 total cpu time spent up to now is 921.4 secs Computing kpt #: 196 total cpu time spent up to now is 925.9 secs Computing kpt #: 197 total cpu time spent up to now is 930.4 secs Computing kpt #: 198 total cpu time spent up to now is 934.8 secs Computing kpt #: 199 total cpu time spent up to now is 939.5 secs Computing kpt #: 200 total cpu time spent up to now is 944.5 secs Computing kpt #: 201 total cpu time spent up to now is 949.1 secs Computing kpt #: 202 total cpu time spent up to now is 956.0 secs Computing kpt #: 203 total cpu time spent up to now is 960.8 secs Computing kpt #: 204 total cpu time spent up to now is 965.5 secs Computing kpt #: 205 total cpu time spent up to now is 970.1 secs Computing kpt #: 206 total cpu time spent up to now is 974.8 secs Computing kpt #: 207 total cpu time spent up to now is 979.4 secs Computing kpt #: 208 total cpu time spent up to now is 984.9 secs Computing kpt #: 209 total cpu time spent up to now is 991.3 secs Computing kpt #: 210 total cpu time spent up to now is 995.8 secs Computing kpt #: 211 total cpu time spent up to now is 1000.4 secs Computing kpt #: 212 total cpu time spent up to now is 1005.2 secs Computing kpt #: 213 total cpu time spent up to now is 1009.8 secs Computing kpt #: 214 total cpu time spent up to now is 1014.4 secs Computing kpt #: 215 total cpu time spent up to now is 1019.5 secs Computing kpt #: 216 total cpu time spent up to now is 1024.1 secs Computing kpt #: 217 total cpu time spent up to now is 1028.7 secs Computing kpt #: 218 total cpu time spent up to now is 1033.3 secs Computing kpt #: 219 total cpu time spent up to now is 1037.9 secs Computing kpt #: 220 total cpu time spent up to now is 1042.2 secs Computing kpt #: 221 total cpu time spent up to now is 1046.5 secs Computing kpt #: 222 total cpu time spent up to now is 1050.8 secs Computing kpt #: 223 total cpu time spent up to now is 1055.1 secs Computing kpt #: 224 total cpu time spent up to now is 1059.3 secs Computing kpt #: 225 total cpu time spent up to now is 1063.5 secs Computing kpt #: 226 total cpu time spent up to now is 1067.8 secs Computing kpt #: 227 total cpu time spent up to now is 1072.1 secs Computing kpt #: 228 total cpu time spent up to now is 1076.4 secs Computing kpt #: 229 total cpu time spent up to now is 1080.8 secs Computing kpt #: 230 total cpu time spent up to now is 1085.1 secs Computing kpt #: 231 total cpu time spent up to now is 1089.5 secs Computing kpt #: 232 total cpu time spent up to now is 1093.7 secs Computing kpt #: 233 total cpu time spent up to now is 1097.9 secs Computing kpt #: 234 total cpu time spent up to now is 1102.2 secs Computing kpt #: 235 total cpu time spent up to now is 1106.4 secs Computing kpt #: 236 total cpu time spent up to now is 1110.6 secs Computing kpt #: 237 total cpu time spent up to now is 1114.9 secs Computing kpt #: 238 total cpu time spent up to now is 1119.0 secs Computing kpt #: 239 total cpu time spent up to now is 1123.2 secs Computing kpt #: 240 total cpu time spent up to now is 1127.4 secs Computing kpt #: 241 total cpu time spent up to now is 1131.5 secs Computing kpt #: 242 total cpu time spent up to now is 1135.5 secs Computing kpt #: 243 total cpu time spent up to now is 1141.2 secs Computing kpt #: 244 total cpu time spent up to now is 1147.0 secs Computing kpt #: 245 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1153.8 secs Computing kpt #: 246 total cpu time spent up to now is 1159.7 secs Computing kpt #: 247 total cpu time spent up to now is 1167.6 secs Computing kpt #: 248 total cpu time spent up to now is 1173.0 secs Computing kpt #: 249 total cpu time spent up to now is 1178.1 secs Computing kpt #: 250 total cpu time spent up to now is 1183.0 secs Computing kpt #: 251 total cpu time spent up to now is 1188.1 secs Computing kpt #: 252 total cpu time spent up to now is 1192.8 secs Computing kpt #: 253 total cpu time spent up to now is 1197.6 secs Computing kpt #: 254 total cpu time spent up to now is 1202.2 secs Computing kpt #: 255 total cpu time spent up to now is 1206.8 secs Computing kpt #: 256 total cpu time spent up to now is 1211.4 secs ethr = 2.38E-11, avg # of iterations = 45.0 total cpu time spent up to now is 1211.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 7043 PWs) bands (ev): -6.9849 -6.9849 -5.6873 -5.6873 -5.6724 -5.6724 -5.6423 -5.6423 -3.0360 -3.0360 -3.0268 -3.0268 -1.5861 -1.5861 -1.4822 -1.4822 -1.4216 -1.4216 -0.9566 -0.9566 -0.5568 -0.5568 1.5936 1.5936 1.7865 1.7865 1.9404 1.9404 2.1947 2.1947 2.4877 2.4877 3.1834 3.1834 3.3206 3.3206 4.5257 4.5257 5.3265 5.3265 5.3559 5.3559 6.4116 6.4116 7.2005 7.2005 7.8679 7.8679 8.8484 8.8484 k = 0.0000 0.0000 0.0235 ( 7055 PWs) bands (ev): -6.9840 -6.9840 -5.6879 -5.6869 -5.6731 -5.6730 -5.6434 -5.6424 -3.0382 -3.0347 -3.0272 -3.0263 -1.5926 -1.5797 -1.4859 -1.4788 -1.4253 -1.4193 -0.9570 -0.9525 -0.5640 -0.5483 1.5761 1.6046 1.7595 1.8142 1.9133 1.9698 2.1736 2.2218 2.4789 2.4987 3.1757 3.1910 3.3142 3.3242 4.5200 4.5247 5.3195 5.3212 5.3447 5.3516 6.4241 6.4253 7.2022 7.2100 7.8656 7.8784 8.8449 8.8480 k = 0.0000 0.0000 0.0471 ( 7055 PWs) bands (ev): -6.9813 -6.9813 -5.6887 -5.6868 -5.6751 -5.6750 -5.6457 -5.6437 -3.0411 -3.0348 -3.0274 -3.0252 -1.5990 -1.5735 -1.4898 -1.4757 -1.4302 -1.4183 -0.9539 -0.9447 -0.5697 -0.5386 1.5545 1.6082 1.7324 1.8405 1.8902 2.0021 2.1610 2.2523 2.4727 2.5112 3.1675 3.1980 3.3059 3.3260 4.5072 4.5173 5.2915 5.2947 5.3310 5.3409 6.4604 6.4628 7.2152 7.2305 7.8717 7.8970 8.8368 8.8438 k = 0.0000 0.0000 0.0706 ( 7051 PWs) bands (ev): -6.9768 -6.9767 -5.6896 -5.6871 -5.6783 -5.6781 -5.6489 -5.6461 -3.0445 -3.0361 -3.0278 -3.0236 -1.6053 -1.5678 -1.4940 -1.4730 -1.4359 -1.4183 -0.9477 -0.9335 -0.5740 -0.5278 1.5314 1.6051 1.7046 1.8400 1.8944 2.0369 2.1583 2.2836 2.4691 2.5238 3.1582 3.2027 3.2990 3.3279 4.4868 4.5034 5.2382 5.2488 5.3200 5.3315 6.5150 6.5184 7.2398 7.2619 7.8860 7.9233 8.8228 8.8354 k = 0.0000 0.0000 0.0942 ( 7047 PWs) bands (ev): -6.9705 -6.9704 -5.6909 -5.6883 -5.6830 -5.6821 -5.6531 -5.6495 -3.0484 -3.0383 -3.0286 -3.0218 -1.6113 -1.5626 -1.4985 -1.4706 -1.4417 -1.4191 -0.9391 -0.9193 -0.5769 -0.5164 1.5091 1.5975 1.6761 1.8111 1.9264 2.0726 2.1658 2.3137 2.4675 2.5353 3.1479 3.2018 3.2987 3.3320 4.4583 4.4830 5.1712 5.1903 5.3078 5.3214 6.5810 6.5855 7.2760 7.3040 7.9084 7.9568 8.8011 8.8224 k = 0.0000 0.0000 0.1177 ( 7039 PWs) bands (ev): -6.9624 -6.9623 -5.6925 -5.6919 -5.6889 -5.6856 -5.6581 -5.6536 -3.0526 -3.0411 -3.0296 -3.0199 -1.6170 -1.5584 -1.5032 -1.4691 -1.4466 -1.4203 -0.9288 -0.9028 -0.5785 -0.5045 1.4891 1.5871 1.6481 1.7762 1.9626 2.1071 2.1830 2.3397 2.4682 2.5445 3.1378 3.1947 3.3082 3.3399 4.4208 4.4563 5.0965 5.1257 5.2936 5.3094 6.6519 6.6581 7.3236 7.3562 7.9387 7.9971 8.7717 8.8044 k = 0.0000 0.0000 0.1412 ( 7035 PWs) bands (ev): -6.9525 -6.9524 -5.6987 -5.6960 -5.6949 -5.6883 -5.6637 -5.6578 -3.0572 -3.0443 -3.0307 -3.0181 -1.6224 -1.5553 -1.5079 -1.4690 -1.4496 -1.4216 -0.9172 -0.8847 -0.5790 -0.4928 1.4721 1.5741 1.6228 1.7399 1.9983 2.1381 2.2086 2.3572 2.4732 2.5509 3.1303 3.1853 3.3265 3.3521 4.3741 4.4234 5.0180 5.0595 5.2776 5.2955 6.7227 6.7314 7.3818 7.4174 7.9768 8.0444 8.7363 8.7811 k = 0.0000 0.0000 0.1648 ( 7035 PWs) bands (ev): -6.9409 -6.9408 -5.7074 -5.7043 -5.6983 -5.6915 -5.6697 -5.6616 -3.0622 -3.0479 -3.0320 -3.0164 -1.6273 -1.5537 -1.5125 -1.4703 -1.4501 -1.4228 -0.9049 -0.8656 -0.5785 -0.4817 1.4579 1.5567 1.6039 1.7049 2.0306 2.1644 2.2398 2.3606 2.4866 2.5556 3.1282 3.1782 3.3513 3.3682 4.3183 4.3848 4.9385 4.9944 5.2600 5.2798 6.7899 6.8020 7.4480 7.4855 8.0231 8.0990 8.6970 8.7524 k = 0.0000 0.0000 0.1883 ( 7017 PWs) bands (ev): -6.9276 -6.9275 -5.7178 -5.7137 -5.7032 -5.6959 -5.6756 -5.6646 -3.0675 -3.0517 -3.0334 -3.0148 -1.6317 -1.5538 -1.5168 -1.4719 -1.4488 -1.4236 -0.8923 -0.8461 -0.5773 -0.4718 1.4451 1.5353 1.5923 1.6753 2.0566 2.1835 2.2725 2.3511 2.5087 2.5624 3.1333 3.1769 3.3800 3.3883 4.2543 4.3415 4.8597 4.9317 5.2412 5.2627 6.8520 6.8681 7.5185 7.5570 8.0787 8.1621 8.6556 8.7190 k = 0.0000 0.0000 0.2118 ( 7011 PWs) bands (ev): -6.9126 -6.9125 -5.7294 -5.7243 -5.7097 -5.7021 -5.6805 -5.6670 -3.0730 -3.0558 -3.0348 -3.0133 -1.6357 -1.5555 -1.5205 -1.4729 -1.4466 -1.4241 -0.8799 -0.8269 -0.5756 -0.4635 1.4303 1.5129 1.5844 1.6568 2.0728 2.1887 2.3034 2.3397 2.5341 2.5784 3.1460 3.1826 3.4060 3.4171 4.1836 4.2950 4.7825 4.8715 5.2217 5.2447 6.9085 6.9290 7.5878 7.6273 8.1444 8.2344 8.6141 8.6826 k = 0.0000 0.0000 0.2354 ( 7005 PWs) bands (ev): -6.8960 -6.8959 -5.7422 -5.7359 -5.7177 -5.7103 -5.6843 -5.6688 -3.0787 -3.0601 -3.0361 -3.0119 -1.6392 -1.5586 -1.5235 -1.4730 -1.4440 -1.4240 -0.8678 -0.8083 -0.5738 -0.4575 1.4105 1.4892 1.5807 1.6538 2.0758 2.1699 2.3313 2.3413 2.5604 2.6074 3.1652 3.1954 3.4283 3.4534 4.1086 4.2473 4.7073 4.8134 5.2018 5.2260 6.9601 6.9849 7.6507 7.6916 8.2197 8.3144 8.5761 8.6466 k = 0.0000 0.0000 0.2589 ( 7005 PWs) bands (ev): -6.8778 -6.8777 -5.7561 -5.7486 -5.7268 -5.7200 -5.6874 -5.6704 -3.0846 -3.0644 -3.0374 -3.0107 -1.6422 -1.5625 -1.5258 -1.4723 -1.4413 -1.4235 -0.8561 -0.7907 -0.5721 -0.4540 1.3850 1.4606 1.5874 1.6638 2.0644 2.1287 2.3556 2.3599 2.5918 2.6452 3.1884 3.2153 3.4495 3.4926 4.0320 4.2013 4.6339 4.7566 5.1819 5.2071 7.0077 7.0367 7.7033 7.7466 8.2982 8.3890 8.5534 8.6202 k = 0.0000 0.0000 0.2825 ( 7023 PWs) bands (ev): -6.8580 -6.8580 -5.7707 -5.7623 -5.7369 -5.7307 -5.6902 -5.6720 -3.0905 -3.0687 -3.0386 -3.0096 -1.6449 -1.5668 -1.5274 -1.4711 -1.4387 -1.4224 -0.8449 -0.7744 -0.5708 -0.4533 1.3556 1.4265 1.6064 1.6819 2.0408 2.0762 2.3801 2.3866 2.6299 2.6873 3.2122 3.2420 3.4690 3.5336 3.9567 4.1597 4.5620 4.7005 5.1622 5.1882 7.0524 7.0851 7.7443 7.7908 8.3557 8.4189 8.5723 8.6371 k = 0.0000 0.0000 0.3060 ( 7011 PWs) bands (ev): -6.8368 -6.8367 -5.7861 -5.7768 -5.7478 -5.7422 -5.6930 -5.6738 -3.0963 -3.0729 -3.0398 -3.0086 -1.6471 -1.5711 -1.5282 -1.4696 -1.4363 -1.4208 -0.8342 -0.7594 -0.5700 -0.4555 1.3233 1.3888 1.6343 1.7029 2.0105 2.0233 2.4055 2.4157 2.6735 2.7310 3.2344 3.2741 3.4859 3.5749 3.8867 4.1254 4.4915 4.6448 5.1430 5.1695 7.0949 7.1310 7.7744 7.8243 8.3560 8.4042 8.6336 8.7238 k = 0.0000 0.0000 0.3295 ( 7013 PWs) bands (ev): -6.8142 -6.8140 -5.8021 -5.7921 -5.7593 -5.7541 -5.6959 -5.6759 -3.1021 -3.0770 -3.0409 -3.0078 -1.6489 -1.5751 -1.5282 -1.4680 -1.4341 -1.4188 -0.8241 -0.7459 -0.5700 -0.4606 1.2884 1.3486 1.6650 1.7192 1.9793 1.9841 2.4291 2.4462 2.7203 2.7747 3.2540 3.3087 3.5003 3.6144 3.8271 4.0997 4.4228 4.5895 5.1243 5.1512 7.1359 7.1751 7.7953 7.8485 8.3202 8.3664 8.7266 8.8324 k = 0.0000 0.0000 0.3531 ( 7017 PWs) bands (ev): -6.7902 -6.7899 -5.8184 -5.8080 -5.7713 -5.7664 -5.6991 -5.6784 -3.1076 -3.0809 -3.0421 -3.0072 -1.6505 -1.5787 -1.5274 -1.4667 -1.4323 -1.4165 -0.8143 -0.7338 -0.5706 -0.4683 1.2499 1.3069 1.6844 1.7243 1.9608 1.9708 2.4494 2.4764 2.7684 2.8166 3.2706 3.3431 3.5126 3.6469 3.7872 4.0822 4.3571 4.5353 5.1061 5.1334 7.1759 7.2180 7.8088 7.8646 8.2734 8.3158 8.8224 8.9206 k = 0.0000 0.0000 0.3766 ( 7021 PWs) bands (ev): -6.7649 -6.7645 -5.8351 -5.8243 -5.7836 -5.7789 -5.7027 -5.6814 -3.1128 -3.0846 -3.0433 -3.0067 -1.6517 -1.5819 -1.5259 -1.4657 -1.4306 -1.4141 -0.8049 -0.7234 -0.5718 -0.4784 1.2067 1.2637 1.6681 1.7279 1.9665 1.9906 2.4650 2.5048 2.8158 2.8559 3.2849 3.3746 3.5232 3.6640 3.7797 4.0692 4.2977 4.4832 5.0886 5.1161 7.2152 7.2601 7.8163 7.8739 8.2218 8.2584 8.8901 8.9782 k = 0.0000 0.0000 0.4002 ( 7017 PWs) bands (ev): -6.7385 -6.7379 -5.8520 -5.8410 -5.7963 -5.7916 -5.7068 -5.6851 -3.1178 -3.0880 -3.0445 -3.0065 -1.6527 -1.5845 -1.5236 -1.4652 -1.4291 -1.4117 -0.7957 -0.7146 -0.5730 -0.4905 1.1576 1.2184 1.6288 1.7244 1.9995 2.0359 2.4748 2.5297 2.8597 2.8930 3.2990 3.4001 3.5337 3.6715 3.8024 4.0526 4.2506 4.4353 5.0716 5.0995 7.2539 7.3017 7.8187 7.8775 8.1669 8.1964 8.9248 9.0037 k = 0.0000 0.0000 0.4237 ( 7015 PWs) bands (ev): -6.7109 -6.7101 -5.8688 -5.8578 -5.8091 -5.8044 -5.7115 -5.6893 -3.1223 -3.0910 -3.0458 -3.0064 -1.6535 -1.5865 -1.5207 -1.4651 -1.4277 -1.4095 -0.7865 -0.7077 -0.5739 -0.5041 1.1027 1.1692 1.5864 1.7127 2.0525 2.0957 2.4790 2.5493 2.8957 2.9311 3.3160 3.4178 3.5471 3.6851 3.8375 4.0229 4.2232 4.3947 5.0552 5.0834 7.2920 7.3429 7.8166 7.8761 8.1090 8.1308 8.9474 9.0134 k = 0.0000 0.0000 0.4472 ( 7013 PWs) bands (ev): -6.6822 -6.6813 -5.8856 -5.8747 -5.8220 -5.8172 -5.7168 -5.6944 -3.1264 -3.0938 -3.0473 -3.0067 -1.6540 -1.5881 -1.5172 -1.4657 -1.4266 -1.4075 -0.7773 -0.7029 -0.5738 -0.5188 1.0427 1.1148 1.5490 1.6997 2.1143 2.1626 2.4801 2.5626 2.9233 2.9718 3.3381 3.4297 3.5644 3.7083 3.8756 3.9792 4.2139 4.3658 5.0393 5.0679 7.3295 7.3839 7.8096 7.8700 8.0476 8.0634 8.9666 9.0201 k = 0.0000 0.0000 0.4708 ( 7019 PWs) bands (ev): -6.6526 -6.6515 -5.9022 -5.8915 -5.8350 -5.8301 -5.7227 -5.7002 -3.1300 -3.0962 -3.0488 -3.0072 -1.6542 -1.5892 -1.5133 -1.4668 -1.4257 -1.4059 -0.7680 -0.7005 -0.5719 -0.5339 0.9784 1.0543 1.5203 1.6898 2.1728 2.2309 2.4846 2.5707 2.9475 3.0128 3.3650 3.4400 3.5820 3.7381 3.9097 3.9341 4.2128 4.3539 5.0239 5.0531 7.3659 7.4246 7.7964 7.8590 7.9805 7.9989 8.9848 9.0273 k = 0.0000 0.0000 0.4943 ( 7019 PWs) bands (ev): -6.6222 -6.6208 -5.9184 -5.9081 -5.8480 -5.8429 -5.7292 -5.7068 -3.1330 -3.0983 -3.0505 -3.0080 -1.6542 -1.5898 -1.5092 -1.4684 -1.4251 -1.4046 -0.7586 -0.7005 -0.5677 -0.5486 0.9109 0.9883 1.5008 1.6848 2.2135 2.2928 2.5039 2.5796 2.9729 3.0531 3.3920 3.4528 3.5941 3.7707 3.8818 3.9559 4.2140 4.3602 5.0090 5.0390 7.4005 7.4648 7.7733 7.8412 7.9095 7.9416 9.0028 9.0367 k = 0.0000 0.0000 0.5179 ( 7009 PWs) bands (ev): -6.5910 -6.5894 -5.9342 -5.9243 -5.8610 -5.8557 -5.7365 -5.7142 -3.1356 -3.1000 -3.0523 -3.0091 -1.6540 -1.5901 -1.5050 -1.4704 -1.4250 -1.4038 -0.7495 -0.7028 -0.5652 -0.5578 0.8410 0.9180 1.4901 1.6853 2.2254 2.3363 2.5455 2.6031 3.0021 3.0926 3.4091 3.4728 3.5951 3.8006 3.8553 3.9953 4.2190 4.3806 4.9947 5.0258 7.4317 7.5038 7.7346 7.8024 7.8530 7.8948 9.0211 9.0492 k = 0.0000 0.0000 0.5414 ( 7017 PWs) bands (ev): -6.5592 -6.5572 -5.9495 -5.9401 -5.8738 -5.8684 -5.7444 -5.7225 -3.1375 -3.1014 -3.0543 -3.0106 -1.6535 -1.5900 -1.5012 -1.4725 -1.4254 -1.4032 -0.7413 -0.7067 -0.5756 -0.5490 0.7697 0.8447 1.4870 1.6913 2.2119 2.3513 2.6017 2.6544 3.0358 3.1314 3.4116 3.4953 3.5872 3.8148 3.8639 4.0387 4.2305 4.4093 4.9809 5.0135 7.4554 7.5394 7.6809 7.7318 7.8268 7.8589 9.0401 9.0654 k = 0.0000 0.0000 0.5649 ( 7011 PWs) bands (ev): -6.5270 -6.5246 -5.9642 -5.9554 -5.8866 -5.8810 -5.7530 -5.7316 -3.1388 -3.1025 -3.0564 -3.0125 -1.6527 -1.5897 -1.4983 -1.4739 -1.4265 -1.4031 -0.7356 -0.7111 -0.5838 -0.5359 0.6975 0.7698 1.4903 1.7024 2.1836 2.3421 2.6616 2.7270 3.0742 3.1702 3.4044 3.4978 3.5913 3.8222 3.8970 4.0873 4.2484 4.4427 4.9679 5.0023 7.4598 7.5577 7.6313 7.6616 7.8099 7.8291 9.0602 9.0851 k = 0.0000 0.0000 0.5885 ( 7027 PWs) bands (ev): -6.4943 -6.4915 -5.9782 -5.9700 -5.8993 -5.8936 -5.7622 -5.7415 -3.1396 -3.1032 -3.0587 -3.0148 -1.6516 -1.5892 -1.4972 -1.4740 -1.4283 -1.4032 -0.7347 -0.7145 -0.5866 -0.5198 0.6251 0.6944 1.4989 1.7180 2.1481 2.3202 2.7166 2.8038 3.1169 3.2101 3.3936 3.4781 3.6154 3.8343 3.9374 4.1415 4.2707 4.4785 4.9556 4.9925 7.4225 7.5110 7.6093 7.6486 7.7965 7.8011 9.0818 9.1080 k = 0.0000 0.0000 0.6120 ( 7017 PWs) bands (ev): -6.4614 -6.4582 -5.9915 -5.9840 -5.9120 -5.9062 -5.7718 -5.7520 -3.1397 -3.1036 -3.0610 -3.0175 -1.6502 -1.5887 -1.4981 -1.4722 -1.4308 -1.4035 -0.7388 -0.7175 -0.5823 -0.5009 0.5529 0.6191 1.5118 1.7373 2.1105 2.2939 2.7577 2.8700 3.1627 3.2540 3.3861 3.4601 3.6443 3.8496 3.9820 4.1999 4.2956 4.5153 4.9442 4.9845 7.3458 7.4229 7.6058 7.6782 7.7712 7.7889 9.1052 9.1335 k = 0.0000 0.0000 0.6355 ( 7007 PWs) bands (ev): -6.4284 -6.4247 -6.0039 -5.9971 -5.9248 -5.9188 -5.7819 -5.7631 -3.1393 -3.1037 -3.0634 -3.0206 -1.6485 -1.5882 -1.5006 -1.4691 -1.4340 -1.4040 -0.7454 -0.7224 -0.5703 -0.4792 0.4812 0.5447 1.5278 1.7589 2.0741 2.2680 2.7781 2.9108 3.2112 3.3031 3.3919 3.4575 3.6709 3.8663 4.0299 4.2608 4.3214 4.5520 4.9340 4.9784 7.2515 7.3231 7.6073 7.7121 7.7408 7.7876 9.1300 9.1610 k = 0.0000 0.0000 0.6591 ( 7002 PWs) bands (ev): -6.3954 -6.3912 -6.0155 -6.0094 -5.9376 -5.9317 -5.7920 -5.7745 -3.1384 -3.1036 -3.0658 -3.0241 -1.6465 -1.5880 -1.5038 -1.4655 -1.4377 -1.4048 -0.7528 -0.7294 -0.5514 -0.4549 0.4104 0.4716 1.5461 1.7806 2.0422 2.2456 2.7761 2.9168 3.2645 3.3461 3.4262 3.4741 3.6940 3.8839 4.0795 4.3217 4.3476 4.5878 4.9254 4.9745 7.1501 7.2185 7.6025 7.7068 7.7475 7.7949 9.1559 9.1897 k = 0.0000 0.0000 0.6826 ( 7006 PWs) bands (ev): -6.3627 -6.3578 -6.0263 -6.0208 -5.9507 -5.9449 -5.8022 -5.7861 -3.1370 -3.1034 -3.0681 -3.0279 -1.6441 -1.5882 -1.5068 -1.4624 -1.4413 -1.4057 -0.7602 -0.7379 -0.5267 -0.4279 0.3407 0.4004 1.5656 1.7989 2.0193 2.2287 2.7542 2.8926 3.3188 3.3774 3.4877 3.5085 3.7147 3.9027 4.1295 4.3665 4.3876 4.6216 4.9189 4.9730 7.0463 7.1117 7.5897 7.6730 7.7798 7.8096 9.1820 9.2189 k = 0.0000 0.0000 0.7062 ( 7012 PWs) bands (ev): -6.3303 -6.3248 -6.0365 -6.0314 -5.9640 -5.9586 -5.8119 -5.7975 -3.1351 -3.1032 -3.0701 -3.0321 -1.6413 -1.5891 -1.5092 -1.4610 -1.4436 -1.4070 -0.7671 -0.7469 -0.4971 -0.3983 0.2724 0.3312 1.5855 1.8084 2.0108 2.2190 2.7174 2.8492 3.3662 3.4104 3.5421 3.5656 3.7375 3.9241 4.1785 4.3900 4.4446 4.6521 4.9153 4.9738 6.9433 7.0054 7.5708 7.6381 7.8101 7.8286 9.2075 9.2474 k = 0.0000 0.0000 0.7297 ( 7018 PWs) bands (ev): -6.2984 -6.2923 -6.0462 -6.0412 -5.9776 -5.9727 -5.8211 -5.8084 -3.1327 -3.1032 -3.0716 -3.0365 -1.6383 -1.5906 -1.5108 -1.4629 -1.4432 -1.4084 -0.7734 -0.7556 -0.4634 -0.3663 0.2057 0.2643 1.6048 1.8057 2.0204 2.2174 2.6707 2.7954 3.4043 3.4480 3.5854 3.6205 3.7721 3.9493 4.2254 4.4097 4.4990 4.6776 4.9156 4.9765 6.8443 6.9021 7.5488 7.6034 7.8377 7.8491 9.2312 9.2737 k = 0.0000 0.0000 0.7532 ( 7020 PWs) bands (ev): -6.2673 -6.2605 -6.0558 -6.0503 -5.9913 -5.9872 -5.8292 -5.8186 -3.1301 -3.1036 -3.0724 -3.0410 -1.6349 -1.5930 -1.5111 -1.4674 -1.4406 -1.4101 -0.7787 -0.7638 -0.4262 -0.3321 0.1410 0.2002 1.6230 1.7928 2.0458 2.2243 2.6182 2.7365 3.4378 3.4854 3.6194 3.6514 3.8253 3.9786 4.2695 4.4266 4.5485 4.6969 4.9205 4.9803 6.7524 6.8046 7.5262 7.5701 7.8619 7.8691 9.2520 9.2953 k = 0.0000 0.0000 0.7768 ( 7020 PWs) bands (ev): -6.2371 -6.2296 -6.0661 -6.0593 -6.0047 -6.0017 -5.8361 -5.8275 -3.1271 -3.1045 -3.0724 -3.0457 -1.6311 -1.5961 -1.5102 -1.4730 -1.4371 -1.4121 -0.7829 -0.7710 -0.3859 -0.2963 0.0791 0.1389 1.6400 1.7748 2.0817 2.2390 2.5638 2.6758 3.4693 3.5198 3.6387 3.6648 3.8878 4.0096 4.3103 4.4399 4.5921 4.7095 4.9297 4.9842 6.6711 6.7161 7.5050 7.5394 7.8824 7.8871 9.2691 9.3076 k = 0.0000 0.0000 0.8003 ( 7020 PWs) bands (ev): -6.2081 -6.1998 -6.0779 -6.0695 -6.0167 -6.0149 -5.8415 -5.8350 -3.1240 -3.1062 -3.0713 -3.0503 -1.6270 -1.5999 -1.5082 -1.4789 -1.4334 -1.4144 -0.7860 -0.7770 -0.3431 -0.2600 0.0214 0.0810 1.6558 1.7553 2.1238 2.2591 2.5116 2.6157 3.4992 3.5495 3.6432 3.6702 3.9476 4.0378 4.3475 4.4486 4.6294 4.7158 4.9419 4.9868 6.6042 6.6403 7.4873 7.5127 7.8989 7.9020 9.2816 9.3067 k = 0.0000 0.0000 0.8239 ( 7022 PWs) bands (ev): -6.1805 -6.1714 -6.0924 -6.0825 -6.0263 -6.0253 -5.8452 -5.8408 -3.1207 -3.1084 -3.0693 -3.0548 -1.6227 -1.6042 -1.5050 -1.4850 -1.4298 -1.4170 -0.7879 -0.7819 -0.2989 -0.2269 -0.0284 0.0274 1.6709 1.7361 2.1694 2.2780 2.4688 2.5584 3.5271 3.5719 3.6405 3.6691 3.9978 4.0575 4.3807 4.4508 4.6601 4.7165 4.9550 4.9870 6.5552 6.5806 7.4746 7.4914 7.9110 7.9130 9.2884 9.2996 k = 0.0000 0.0000 0.8474 ( 7002 PWs) bands (ev): -6.1547 -6.1449 -6.1100 -6.0996 -6.0323 -6.0316 -5.8470 -5.8448 -3.1174 -3.1111 -3.0665 -3.0591 -1.6182 -1.6088 -1.5010 -1.4908 -1.4263 -1.4198 -0.7884 -0.7854 -0.2555 -0.2078 -0.0594 -0.0199 1.6859 1.7182 2.2154 2.2809 2.4501 2.5068 3.5519 3.5803 3.6414 3.6618 4.0350 4.0648 4.4089 4.4450 4.6841 4.7118 4.9672 4.9839 6.5272 6.5404 7.4681 7.4764 7.9186 7.9196 9.2901 9.2937 k = 0.0000 0.0000 0.8709 ( 6996 PWs) bands (ev): -6.1312 -6.1312 -6.1205 -6.1205 -6.0340 -6.0340 -5.8469 -5.8469 -3.1141 -3.1141 -3.0631 -3.0631 -1.6135 -1.6135 -1.4962 -1.4962 -1.4229 -1.4229 -0.7876 -0.7876 -0.2196 -0.2196 -0.0542 -0.0542 1.7015 1.7015 2.2565 2.2565 2.4665 2.4665 3.5713 3.5713 3.6507 3.6507 4.0575 4.0575 4.4309 4.4309 4.7012 4.7012 4.9772 4.9772 6.5222 6.5222 7.4686 7.4686 7.9215 7.9215 9.2908 9.2908 k = 0.0000 0.0000 0.8709 ( 6996 PWs) bands (ev): -6.1312 -6.1312 -6.1205 -6.1205 -6.0340 -6.0340 -5.8469 -5.8469 -3.1141 -3.1141 -3.0631 -3.0631 -1.6135 -1.6135 -1.4962 -1.4962 -1.4229 -1.4229 -0.7876 -0.7876 -0.2196 -0.2196 -0.0542 -0.0542 1.7015 1.7015 2.2565 2.2565 2.4665 2.4665 3.5713 3.5713 3.6507 3.6507 4.0575 4.0575 4.4309 4.4309 4.7012 4.7012 4.9772 4.9772 6.5222 6.5222 7.4686 7.4686 7.9215 7.9215 9.2908 9.2908 k =-0.0123 0.0175 0.8709 ( 7010 PWs) bands (ev): -6.1313 -6.1310 -6.1209 -6.1199 -6.0346 -6.0345 -5.8475 -5.8461 -3.1158 -3.1127 -3.0681 -3.0585 -1.6200 -1.6080 -1.5054 -1.4877 -1.4285 -1.4185 -0.7883 -0.7793 -0.2197 -0.2163 -0.0586 -0.0494 1.7002 1.7037 2.2549 2.2587 2.4591 2.4746 3.5639 3.5726 3.6433 3.6545 4.0499 4.0610 4.4213 4.4357 4.6941 4.7046 4.9723 4.9774 6.5222 6.5290 7.4710 7.4718 7.9236 7.9345 9.2838 9.2966 k =-0.0246 0.0351 0.8709 ( 7012 PWs) bands (ev): -6.1313 -6.1306 -6.1211 -6.1190 -6.0361 -6.0360 -5.8480 -5.8451 -3.1177 -3.1116 -3.0734 -3.0546 -1.6273 -1.6035 -1.5151 -1.4804 -1.4348 -1.4152 -0.7814 -0.7636 -0.2167 -0.2097 -0.0625 -0.0440 1.6999 1.7067 2.2538 2.2615 2.4522 2.4834 3.5512 3.5671 3.6315 3.6554 4.0384 4.0607 4.4071 4.4360 4.6831 4.7047 4.9629 4.9733 6.5291 6.5425 7.4791 7.4807 7.9404 7.9625 9.2687 9.3053 k =-0.0369 0.0526 0.8709 ( 7012 PWs) bands (ev): -6.1313 -6.1302 -6.1211 -6.1180 -6.0385 -6.0383 -5.8483 -5.8441 -3.1198 -3.1109 -3.0788 -3.0512 -1.6356 -1.6004 -1.5247 -1.4746 -1.4414 -1.4133 -0.7673 -0.7409 -0.2109 -0.1996 -0.0662 -0.0378 1.7005 1.7107 2.2533 2.2649 2.4460 2.4928 3.5340 3.5546 3.6141 3.6537 4.0233 4.0565 4.3886 4.4320 4.6683 4.7018 4.9493 4.9649 6.5427 6.5625 7.4925 7.4949 7.9705 8.0049 9.2449 9.3174 k =-0.0492 0.0701 0.8709 ( 7016 PWs) bands (ev): -6.1314 -6.1300 -6.1213 -6.1171 -6.0413 -6.0411 -5.8484 -5.8430 -3.1222 -3.1107 -3.0841 -3.0484 -1.6446 -1.5990 -1.5334 -1.4708 -1.4475 -1.4127 -0.7463 -0.7117 -0.2026 -0.1863 -0.0695 -0.0306 1.7020 1.7155 2.2534 2.2688 2.4402 2.5028 3.5131 3.5355 3.5907 3.6494 4.0048 4.0489 4.3663 4.4244 4.6502 4.6966 4.9317 4.9529 6.5627 6.5885 7.5110 7.5142 8.0122 8.0604 9.2146 9.3305 k =-0.0615 0.0876 0.8709 ( 7034 PWs) bands (ev): -6.1317 -6.1302 -6.1218 -6.1167 -6.0441 -6.0437 -5.8482 -5.8417 -3.1248 -3.1113 -3.0890 -3.0463 -1.6544 -1.5999 -1.5404 -1.4702 -1.4516 -1.4132 -0.7189 -0.6767 -0.1923 -0.1697 -0.0726 -0.0219 1.7044 1.7212 2.2540 2.2734 2.4349 2.5134 3.4888 3.5103 3.5607 3.6420 3.9837 4.0381 4.3410 4.4134 4.6291 4.6894 4.9106 4.9378 6.5887 6.6203 7.5342 7.5380 8.0630 8.1272 9.1787 9.2988 k =-0.0737 0.1052 0.8709 ( 7028 PWs) bands (ev): -6.1322 -6.1310 -6.1233 -6.1176 -6.0460 -6.0453 -5.8477 -5.8403 -3.1277 -3.1128 -3.0929 -3.0448 -1.6647 -1.6033 -1.5451 -1.4733 -1.4527 -1.4147 -0.6858 -0.6366 -0.1806 -0.1500 -0.0753 -0.0115 1.7076 1.7277 2.2552 2.2784 2.4300 2.5246 3.4617 3.4794 3.5243 3.6315 3.9605 4.0247 4.3136 4.3998 4.6054 4.6804 4.8868 4.9205 6.6203 6.6572 7.5614 7.5657 8.1199 8.2028 9.1371 9.2503 k =-0.0860 0.1227 0.8709 ( 7020 PWs) bands (ev): -6.1332 -6.1328 -6.1263 -6.1200 -6.0462 -6.0451 -5.8469 -5.8388 -3.1310 -3.1154 -3.0958 -3.0438 -1.6756 -1.6092 -1.5476 -1.4785 -1.4521 -1.4169 -0.6476 -0.5925 -0.1679 -0.1274 -0.0774 0.0011 1.7118 1.7351 2.2569 2.2840 2.4254 2.5363 3.4318 3.4433 3.4822 3.6176 3.9362 4.0092 4.2850 4.3840 4.5796 4.6696 4.8608 4.9015 6.6570 6.6989 7.5920 7.5968 8.1791 8.2839 9.0900 9.1948 k =-0.0983 0.1402 0.8709 ( 7012 PWs) bands (ev): -6.1372 -6.1342 -6.1313 -6.1235 -6.0443 -6.0426 -5.8458 -5.8370 -3.1346 -3.1188 -3.0976 -3.0433 -1.6867 -1.6169 -1.5484 -1.4841 -1.4513 -1.4198 -0.6052 -0.5453 -0.1547 -0.1022 -0.0786 0.0164 1.7168 1.7432 2.2591 2.2902 2.4211 2.5485 3.3973 3.4032 3.4362 3.6007 3.9117 3.9919 4.2559 4.3665 4.5519 4.6567 4.8336 4.8816 6.6983 6.7448 7.6251 7.6306 8.2363 8.3663 9.0374 9.1310 k =-0.1106 0.1578 0.8709 ( 7020 PWs) bands (ev): -6.1444 -6.1392 -6.1356 -6.1268 -6.0401 -6.0376 -5.8442 -5.8350 -3.1387 -3.1224 -3.0989 -3.0432 -1.6979 -1.6257 -1.5483 -1.4895 -1.4506 -1.4231 -0.5594 -0.4967 -0.1412 -0.0787 -0.0741 0.0347 1.7226 1.7520 2.2617 2.2968 2.4169 2.5609 3.3537 3.3604 3.3913 3.5812 3.8874 3.9735 4.2267 4.3478 4.5225 4.6414 4.8061 4.8615 6.7437 6.7946 7.6597 7.6662 8.2865 8.4442 8.9791 9.0568 k =-0.1229 0.1753 0.8709 ( 7016 PWs) bands (ev): -6.1542 -6.1497 -6.1377 -6.1295 -6.0337 -6.0303 -5.8422 -5.8327 -3.1430 -3.1261 -3.0999 -3.0433 -1.7089 -1.6350 -1.5477 -1.4944 -1.4503 -1.4267 -0.5114 -0.4485 -0.1271 -0.0752 -0.0447 0.0560 1.7292 1.7616 2.2649 2.3039 2.4129 2.5735 3.3032 3.3092 3.3532 3.5598 3.8640 3.9542 4.1978 4.3283 4.4917 4.6234 4.7793 4.8415 6.7927 6.8476 7.6949 7.7028 8.3241 8.5098 8.9149 8.9767 k =-0.1229 0.1753 0.8709 ( 7016 PWs) bands (ev): -6.1542 -6.1497 -6.1377 -6.1295 -6.0337 -6.0303 -5.8422 -5.8327 -3.1430 -3.1261 -3.0999 -3.0433 -1.7089 -1.6350 -1.5477 -1.4944 -1.4503 -1.4267 -0.5114 -0.4485 -0.1271 -0.0752 -0.0447 0.0560 1.7292 1.7616 2.2649 2.3039 2.4129 2.5735 3.3032 3.3092 3.3532 3.5598 3.8640 3.9542 4.1978 4.3283 4.4917 4.6234 4.7793 4.8415 6.7927 6.8476 7.6949 7.7028 8.3241 8.5098 8.9149 8.9767 k =-0.1323 0.1887 0.8545 ( 7018 PWs) bands (ev): -6.1649 -6.1605 -6.1380 -6.1307 -6.0282 -6.0255 -5.8378 -5.8301 -3.1465 -3.1290 -3.0978 -3.0460 -1.7137 -1.6468 -1.5443 -1.4952 -1.4539 -1.4310 -0.4733 -0.4125 -0.0864 -0.0812 -0.0085 0.0415 1.7336 1.7701 2.2547 2.3178 2.4381 2.5731 3.2642 3.2758 3.3169 3.5341 3.8353 3.9313 4.1899 4.3144 4.4779 4.6165 4.7453 4.8085 6.8343 6.8916 7.7263 7.7302 8.3483 8.5501 8.8397 8.9264 k =-0.1418 0.2022 0.8381 ( 7020 PWs) bands (ev): -6.1755 -6.1715 -6.1419 -6.1357 -6.0206 -6.0186 -5.8315 -5.8258 -3.1501 -3.1321 -3.0950 -3.0487 -1.7179 -1.6585 -1.5410 -1.4955 -1.4578 -1.4351 -0.4348 -0.3805 -0.0973 -0.0417 0.0247 0.0495 1.7346 1.7834 2.2325 2.3317 2.4700 2.5846 3.2115 3.2379 3.2887 3.5071 3.7997 3.9001 4.1823 4.2998 4.4632 4.6075 4.7099 4.7742 6.8848 6.9449 7.7525 7.7647 8.3630 8.5770 8.7610 8.8436 k =-0.1512 0.2156 0.8217 ( 7014 PWs) bands (ev): -6.1860 -6.1823 -6.1484 -6.1432 -6.0124 -6.0113 -5.8231 -5.8197 -3.1536 -3.1354 -3.0917 -3.0515 -1.7215 -1.6700 -1.5380 -1.4954 -1.4620 -1.4388 -0.3972 -0.3558 -0.0992 -0.0224 0.0488 0.0949 1.7346 1.7991 2.2084 2.3387 2.5044 2.6079 3.1536 3.1953 3.2619 3.4795 3.7570 3.8617 4.1750 4.2849 4.4469 4.5941 4.6764 4.7406 6.9432 7.0060 7.7765 7.7999 8.3681 8.5904 8.6827 8.7556 k =-0.1606 0.2291 0.8053 ( 7018 PWs) bands (ev): -6.1962 -6.1929 -6.1565 -6.1520 -6.0050 -6.0044 -5.8128 -5.8119 -3.1570 -3.1388 -3.0882 -3.0542 -1.7244 -1.6811 -1.5353 -1.4950 -1.4664 -1.4421 -0.3632 -0.3403 -0.0883 -0.0207 0.0923 0.1465 1.7348 1.8160 2.1849 2.3395 2.5390 2.6404 3.0942 3.1486 3.2342 3.4514 3.7078 3.8180 4.1682 4.2698 4.4279 4.5715 4.6508 4.7097 7.0079 7.0734 7.7970 7.8331 8.3633 8.5893 8.6090 8.6711 k =-0.1700 0.2425 0.7888 ( 7014 PWs) bands (ev): -6.2060 -6.2030 -6.1654 -6.1614 -5.9995 -5.9980 -5.8026 -5.8008 -3.1601 -3.1424 -3.0848 -3.0566 -1.7267 -1.6917 -1.5331 -1.4947 -1.4706 -1.4449 -0.3459 -0.3231 -0.0649 -0.0187 0.1428 0.2004 1.7354 1.8335 2.1628 2.3365 2.5719 2.6787 3.0352 3.0991 3.2049 3.4222 3.6534 3.7711 4.1617 4.2536 4.4054 4.5383 4.6358 4.6835 7.0776 7.1457 7.8118 7.8618 8.3476 8.5424 8.5595 8.6120 k =-0.1795 0.2560 0.7724 ( 7013 PWs) bands (ev): -6.2155 -6.2127 -6.1746 -6.1711 -5.9954 -5.9926 -5.7919 -5.7876 -3.1630 -3.1461 -3.0819 -3.0582 -1.7285 -1.7017 -1.5314 -1.4952 -1.4736 -1.4471 -0.3498 -0.2994 -0.0343 -0.0076 0.1958 0.2558 1.7365 1.8515 2.1425 2.3315 2.6012 2.7193 2.9786 3.0482 3.1739 3.3909 3.5965 3.7229 4.1552 4.2348 4.3794 4.4997 4.6281 4.6634 7.1507 7.2211 7.8186 7.8829 8.3210 8.4826 8.4980 8.5912 k =-0.1889 0.2694 0.7560 ( 7011 PWs) bands (ev): -6.2245 -6.2219 -6.1839 -6.1807 -5.9924 -5.9885 -5.7804 -5.7737 -3.1655 -3.1498 -3.0804 -3.0583 -1.7303 -1.7105 -1.5302 -1.4977 -1.4745 -1.4487 -0.3607 -0.2817 -0.0074 0.0222 0.2501 0.3124 1.7383 1.8698 2.1242 2.3255 2.6244 2.7573 2.9285 2.9981 3.1411 3.3553 3.5407 3.6754 4.1478 4.2120 4.3509 4.4615 4.6244 4.6493 7.2256 7.2978 7.8155 7.8926 8.2874 8.4135 8.4591 8.5756 k =-0.1983 0.2829 0.7396 ( 7014 PWs) bands (ev): -6.2330 -6.2306 -6.1931 -6.1900 -5.9903 -5.9855 -5.7683 -5.7595 -3.1676 -3.1534 -3.0807 -3.0566 -1.7334 -1.7169 -1.5295 -1.5022 -1.4729 -1.4498 -0.3748 -0.2717 0.0191 0.0650 0.3049 0.3700 1.7407 1.8883 2.1079 2.3190 2.6375 2.7797 2.8974 2.9517 3.1062 3.3129 3.4904 3.6305 4.1368 4.1857 4.3212 4.4279 4.6230 4.6406 7.3005 7.3733 7.8017 7.8880 8.2548 8.3492 8.4332 8.5603 k =-0.2077 0.2963 0.7231 ( 7010 PWs) bands (ev): -6.2411 -6.2386 -6.2019 -6.1990 -5.9890 -5.9832 -5.7561 -5.7453 -3.1695 -3.1570 -3.0826 -3.0534 -1.7392 -1.7194 -1.5293 -1.5082 -1.4698 -1.4505 -0.3901 -0.2685 0.0505 0.1116 0.3599 0.4280 1.7440 1.9070 2.0935 2.3122 2.6361 2.7653 2.9047 2.9147 3.0691 3.2623 3.4491 3.5898 4.1167 4.1598 4.2920 4.4015 4.6231 4.6365 7.3732 7.4441 7.7782 7.8698 8.2288 8.2932 8.4139 8.5458 k =-0.2172 0.3097 0.7067 ( 7010 PWs) bands (ev): -6.2486 -6.2460 -6.2103 -6.2075 -5.9882 -5.9817 -5.7441 -5.7314 -3.1709 -3.1605 -3.0854 -3.0492 -1.7466 -1.7191 -1.5294 -1.5149 -1.4658 -1.4505 -0.4058 -0.2703 0.0861 0.1593 0.4148 0.4861 1.7481 1.9258 2.0810 2.3049 2.6173 2.7265 2.8862 2.9405 3.0300 3.2049 3.4177 3.5545 4.0841 4.1365 4.2669 4.3821 4.6244 4.6361 7.4405 7.5037 7.7492 7.8455 8.2092 8.2456 8.3981 8.5329 k =-0.2266 0.3232 0.6903 ( 6998 PWs) bands (ev): -6.2555 -6.2528 -6.2182 -6.2154 -5.9878 -5.9807 -5.7325 -5.7183 -3.1722 -3.1638 -3.0887 -3.0447 -1.7544 -1.7171 -1.5301 -1.5216 -1.4616 -1.4499 -0.4211 -0.2753 0.1239 0.2064 0.4689 0.5438 1.7533 1.9449 2.0703 2.2969 2.5840 2.6797 2.8701 2.9749 2.9950 3.1447 3.3950 3.5252 4.0443 4.1103 4.2496 4.3684 4.6265 4.6388 7.4961 7.5408 7.7228 7.8299 8.1923 8.2052 8.3850 8.5222 k =-0.2360 0.3366 0.6739 ( 6998 PWs) bands (ev): -6.2618 -6.2588 -6.2255 -6.2227 -5.9877 -5.9799 -5.7217 -5.7060 -3.1732 -3.1667 -3.0922 -3.0400 -1.7621 -1.7141 -1.5330 -1.5266 -1.4580 -1.4482 -0.4357 -0.2823 0.1620 0.2520 0.5220 0.6003 1.7595 1.9643 2.0612 2.2879 2.5426 2.6296 2.8560 2.9459 3.0231 3.0879 3.3792 3.5022 4.0022 4.0788 4.2409 4.3586 4.6292 4.6440 7.5275 7.5443 7.7127 7.8391 8.1703 8.1753 8.3742 8.5136 k =-0.2455 0.3501 0.6575 ( 7002 PWs) bands (ev): -6.2674 -6.2642 -6.2321 -6.2294 -5.9876 -5.9795 -5.7118 -5.6948 -3.1744 -3.1690 -3.0958 -3.0354 -1.7694 -1.7103 -1.5394 -1.5282 -1.4556 -1.4449 -0.4494 -0.2903 0.1991 0.2952 0.5733 0.6551 1.7669 1.9842 2.0534 2.2773 2.4984 2.5795 2.8319 2.9120 3.0216 3.0770 3.3684 3.4856 3.9607 4.0439 4.2388 4.3512 4.6326 4.6510 7.5205 7.5227 7.7298 7.8724 8.1406 8.1563 8.3654 8.5066 k =-0.2549 0.3635 0.6410 ( 7003 PWs) bands (ev): -6.2723 -6.2689 -6.2380 -6.2352 -5.9876 -5.9791 -5.7029 -5.6849 -3.1760 -3.1703 -3.0995 -3.0309 -1.7763 -1.7059 -1.5469 -1.5288 -1.4541 -1.4404 -0.4620 -0.2989 0.2338 0.3352 0.6222 0.7072 1.7753 2.0049 2.0464 2.2646 2.4551 2.5326 2.7920 2.8817 2.9845 3.1143 3.3606 3.4754 3.9213 4.0083 4.2409 4.3456 4.6367 4.6595 7.4846 7.4926 7.7645 7.9161 8.1150 8.1364 8.3582 8.5010 k =-0.2643 0.3770 0.6246 ( 7004 PWs) bands (ev): -6.2765 -6.2728 -6.2432 -6.2404 -5.9877 -5.9788 -5.6953 -5.6763 -3.1780 -3.1708 -3.1030 -3.0267 -1.7827 -1.7009 -1.5546 -1.5291 -1.4531 -1.4355 -0.4734 -0.3075 0.2652 0.3710 0.6679 0.7557 1.7845 2.0264 2.0396 2.2489 2.4148 2.4926 2.7423 2.8443 2.9628 3.1536 3.3535 3.4722 3.8852 3.9735 4.2457 4.3412 4.6414 4.6691 7.4467 7.4541 7.8025 7.9600 8.0931 8.1167 8.3524 8.4965 k =-0.2737 0.3904 0.6082 ( 7004 PWs) bands (ev): -6.2799 -6.2760 -6.2476 -6.2447 -5.9876 -5.9785 -5.6890 -5.6691 -3.1801 -3.1706 -3.1063 -3.0229 -1.7884 -1.6955 -1.5623 -1.5291 -1.4522 -1.4306 -0.4834 -0.3160 0.2924 0.4021 0.7095 0.7995 1.7939 2.0311 2.0499 2.2299 2.3792 2.4632 2.6892 2.7997 2.9542 3.1921 3.3454 3.4763 3.8530 3.9405 4.2522 4.3377 4.6465 4.6795 7.4113 7.4159 7.8370 7.9987 8.0751 8.0990 8.3480 8.4932 k =-0.2832 0.4039 0.5918 ( 7003 PWs) bands (ev): -6.2826 -6.2784 -6.2511 -6.2482 -5.9874 -5.9782 -5.6841 -5.6635 -3.1820 -3.1702 -3.1094 -3.0195 -1.7936 -1.6896 -1.5700 -1.5291 -1.4515 -1.4258 -0.4920 -0.3241 0.3145 0.4277 0.7460 0.8376 1.8027 2.0211 2.0742 2.2086 2.3507 2.4465 2.6359 2.7533 2.9515 3.2287 3.3363 3.4870 3.8247 3.9101 4.2594 4.3351 4.6521 4.6903 7.3808 7.3825 7.8658 8.0280 8.0609 8.0860 8.3450 8.4908 k =-0.2926 0.4173 0.5754 ( 7005 PWs) bands (ev): -6.2845 -6.2801 -6.2539 -6.2508 -5.9872 -5.9778 -5.6807 -5.6595 -3.1837 -3.1696 -3.1121 -3.0165 -1.7982 -1.6835 -1.5774 -1.5289 -1.4507 -1.4213 -0.4991 -0.3316 0.3309 0.4471 0.7764 0.8689 1.8095 2.0085 2.0993 2.1876 2.3330 2.4418 2.5842 2.7089 2.9510 3.2603 3.3296 3.5036 3.8000 3.8825 4.2669 4.3333 4.6580 4.7013 7.3544 7.3586 7.8878 8.0406 8.0520 8.0829 8.3436 8.4895 k =-0.3020 0.4308 0.5589 ( 7005 PWs) bands (ev): -6.2856 -6.2810 -6.2557 -6.2526 -5.9867 -5.9773 -5.6788 -5.6571 -3.1851 -3.1688 -3.1145 -3.0140 -1.8020 -1.6770 -1.5846 -1.5286 -1.4500 -1.4173 -0.5047 -0.3385 0.3411 0.4599 0.7995 0.8924 1.8122 1.9946 2.1200 2.1746 2.3285 2.4467 2.5352 2.6686 2.9510 3.2761 3.3369 3.5250 3.7785 3.8581 4.2741 4.3323 4.6640 4.7121 7.3351 7.3434 7.9028 8.0362 8.0485 8.0897 8.3440 8.4891 k =-0.3115 0.4442 0.5425 ( 7008 PWs) bands (ev): -6.2860 -6.2811 -6.2568 -6.2534 -5.9861 -5.9767 -5.6784 -5.6564 -3.1862 -3.1681 -3.1164 -3.0120 -1.8053 -1.6704 -1.5914 -1.5282 -1.4493 -1.4137 -0.5087 -0.3446 0.3445 0.4658 0.8143 0.9075 1.8090 1.9815 2.1223 2.1863 2.3374 2.4579 2.4901 2.6349 2.9511 3.2714 3.3637 3.5504 3.7595 3.8371 4.2805 4.3324 4.6700 4.7226 7.3245 7.3370 7.9108 8.0301 8.0461 8.0952 8.3461 8.4897 k =-0.3115 0.4442 0.5425 ( 7008 PWs) bands (ev): -6.2860 -6.2811 -6.2568 -6.2534 -5.9861 -5.9767 -5.6784 -5.6564 -3.1862 -3.1681 -3.1164 -3.0120 -1.8053 -1.6704 -1.5914 -1.5282 -1.4493 -1.4137 -0.5087 -0.3446 0.3445 0.4658 0.8143 0.9075 1.8090 1.9815 2.1223 2.1863 2.3374 2.4579 2.4901 2.6349 2.9511 3.2714 3.3637 3.5504 3.7595 3.8371 4.2805 4.3324 4.6700 4.7226 7.3245 7.3370 7.9108 8.0301 8.0461 8.0952 8.3461 8.4897 k =-0.3020 0.4307 0.5261 ( 7004 PWs) bands (ev): -6.2891 -6.2836 -6.2504 -6.2473 -5.9878 -5.9781 -5.6791 -5.6566 -3.1857 -3.1692 -3.1129 -3.0105 -1.8002 -1.6698 -1.5902 -1.5207 -1.4507 -1.4123 -0.5038 -0.3438 0.2997 0.4302 0.8395 0.9383 1.7930 1.9525 2.1163 2.1670 2.3155 2.4366 2.4810 2.6119 2.9563 3.2838 3.3801 3.5427 3.7546 3.8470 4.2875 4.3339 4.6729 4.7285 7.3577 7.3760 7.9297 8.0562 8.0713 8.1127 8.4033 8.5460 k =-0.2926 0.4173 0.5096 ( 7004 PWs) bands (ev): -6.3105 -6.3063 -6.2285 -6.2252 -5.9853 -5.9754 -5.6797 -5.6569 -3.1849 -3.1696 -3.1089 -3.0092 -1.7943 -1.6694 -1.5886 -1.5130 -1.4524 -1.4110 -0.5029 -0.3474 0.2530 0.3906 0.8701 0.9735 1.7783 1.9244 2.1098 2.1478 2.2951 2.4162 2.4754 2.5885 2.9658 3.2986 3.3953 3.5340 3.7549 3.8651 4.2906 4.3317 4.6735 4.7318 7.3900 7.4144 7.9455 8.0757 8.0913 8.1318 8.4560 8.5944 k =-0.2831 0.4038 0.4932 ( 7006 PWs) bands (ev): -6.3369 -6.3337 -6.2043 -6.2009 -5.9796 -5.9692 -5.6803 -5.6572 -3.1837 -3.1694 -3.1044 -3.0082 -1.7874 -1.6693 -1.5866 -1.5053 -1.4543 -1.4101 -0.5058 -0.3552 0.2051 0.3487 0.9044 1.0115 1.7651 1.8981 2.1012 2.1299 2.2768 2.3981 2.4717 2.5651 2.9786 3.3153 3.4072 3.5291 3.7611 3.8889 4.2897 4.3256 4.6717 4.7326 7.4213 7.4517 7.9591 8.0878 8.1072 8.1555 8.5035 8.6354 k =-0.2737 0.3904 0.4768 ( 7012 PWs) bands (ev): -6.3661 -6.3636 -6.1792 -6.1758 -5.9713 -5.9604 -5.6808 -5.6575 -3.1820 -3.1686 -3.0996 -3.0074 -1.7797 -1.6693 -1.5842 -1.4977 -1.4564 -1.4093 -0.5122 -0.3665 0.1567 0.3053 0.9404 1.0511 1.7540 1.8745 2.0875 2.1158 2.2613 2.3827 2.4694 2.5425 2.9940 3.3328 3.4143 3.5318 3.7731 3.9159 4.2850 4.3157 4.6677 4.7310 7.4513 7.4875 7.9716 8.0925 8.1243 8.1822 8.5449 8.6698 k =-0.2643 0.3769 0.4603 ( 7010 PWs) bands (ev): -6.3971 -6.3951 -6.1536 -6.1502 -5.9610 -5.9496 -5.6814 -5.6580 -3.1798 -3.1671 -3.0945 -3.0070 -1.7713 -1.6695 -1.5814 -1.4903 -1.4585 -1.4089 -0.5217 -0.3809 0.1080 0.2611 0.9769 1.0907 1.7455 1.8544 2.0687 2.1057 2.2486 2.3704 2.4679 2.5212 3.0119 3.3497 3.4179 3.5434 3.7905 3.9442 4.2763 4.3032 4.6616 4.7274 7.4800 7.5216 7.9839 8.0935 8.1436 8.2102 8.5794 8.6978 k =-0.2548 0.3634 0.4439 ( 7010 PWs) bands (ev): -6.4291 -6.4276 -6.1278 -6.1243 -5.9493 -5.9373 -5.6819 -5.6584 -3.1772 -3.1651 -3.0892 -3.0068 -1.7622 -1.6698 -1.5783 -1.4832 -1.4605 -1.4087 -0.5338 -0.3977 0.0595 0.2167 1.0124 1.1292 1.7406 1.8384 2.0474 2.0969 2.2384 2.3611 2.4665 2.5017 3.0320 3.3639 3.4226 3.5618 3.8123 3.9711 4.2625 4.2910 4.6540 4.7223 7.5075 7.5538 7.9971 8.0937 8.1652 8.2394 8.6056 8.7193 k =-0.2454 0.3500 0.4274 ( 7018 PWs) bands (ev): -6.4618 -6.4607 -6.1017 -6.0983 -5.9365 -5.9240 -5.6823 -5.6589 -3.1739 -3.1625 -3.0837 -3.0069 -1.7525 -1.6702 -1.5751 -1.4772 -1.4618 -1.4088 -0.5482 -0.4165 0.0114 0.1723 1.0459 1.1651 1.7401 1.8270 2.0255 2.0880 2.2301 2.3547 2.4647 2.4846 3.0547 3.3738 3.4323 3.5846 3.8370 3.9937 4.2425 4.2834 4.6455 4.7165 7.5339 7.5843 8.0118 8.0950 8.1893 8.2698 8.6225 8.7336 k =-0.2359 0.3365 0.4110 ( 7014 PWs) bands (ev): -6.4948 -6.4939 -6.0756 -6.0722 -5.9229 -5.9099 -5.6828 -5.6594 -3.1702 -3.1594 -3.0781 -3.0073 -1.7421 -1.6706 -1.5717 -1.4740 -1.4606 -1.4092 -0.5645 -0.4368 -0.0363 0.1282 1.0765 1.1972 1.7451 1.8204 2.0043 2.0787 2.2232 2.3506 2.4607 2.4723 3.0797 3.3813 3.4461 3.6104 3.8626 4.0086 4.2181 4.2834 4.6370 4.7110 7.5596 7.6132 8.0287 8.0982 8.2157 8.3014 8.6287 8.7398 k =-0.2265 0.3231 0.3946 ( 7016 PWs) bands (ev): -6.5277 -6.5271 -6.0495 -6.0461 -5.9087 -5.8952 -5.6832 -5.6600 -3.1659 -3.1557 -3.0724 -3.0079 -1.7313 -1.6709 -1.5682 -1.4744 -1.4562 -1.4098 -0.5823 -0.4581 -0.0832 0.0846 1.1035 1.2245 1.7562 1.8184 1.9848 2.0692 2.2170 2.3479 2.4525 2.4677 3.1071 3.3894 3.4609 3.6383 3.8857 4.0129 4.1933 4.2929 4.6294 4.7067 7.5847 7.6408 8.0482 8.1042 8.2440 8.3339 8.6234 8.7366 k =-0.2171 0.3096 0.3781 ( 7012 PWs) bands (ev): -6.5604 -6.5599 -6.0236 -6.0202 -5.8941 -5.8801 -5.6835 -5.6606 -3.1612 -3.1515 -3.0669 -3.0087 -1.7200 -1.6711 -1.5648 -1.4765 -1.4504 -1.4108 -0.6013 -0.4801 -0.1294 0.0417 1.1269 1.2464 1.7728 1.8205 1.9680 2.0600 2.2109 2.3449 2.4453 2.4671 3.1361 3.3996 3.4742 3.6677 3.9010 4.0059 4.1739 4.3120 4.6241 4.7050 7.6094 7.6672 8.0702 8.1134 8.2733 8.3664 8.6060 8.7229 k =-0.2076 0.2961 0.3617 ( 7020 PWs) bands (ev): -6.5926 -6.5922 -5.9978 -5.9945 -5.8793 -5.8649 -5.6838 -5.6613 -3.1560 -3.1468 -3.0614 -3.0097 -1.7083 -1.6711 -1.5615 -1.4792 -1.4444 -1.4121 -0.6212 -0.5024 -0.1745 -0.0004 1.1467 1.2630 1.7911 1.8283 1.9548 2.0519 2.2048 2.3399 2.4427 2.4687 3.1660 3.4115 3.4850 3.6978 3.9031 3.9883 4.1680 4.3382 4.6229 4.7069 7.6334 7.6922 8.0948 8.1259 8.3023 8.3975 8.5769 8.6983 k =-0.1982 0.2827 0.3452 ( 7014 PWs) bands (ev): -6.6241 -6.6238 -5.9725 -5.9691 -5.8644 -5.8496 -5.6841 -5.6619 -3.1505 -3.1415 -3.0561 -3.0109 -1.6962 -1.6708 -1.5583 -1.4821 -1.4386 -1.4136 -0.6416 -0.5249 -0.2186 -0.0416 1.1635 1.2751 1.8012 1.8487 1.9456 2.0463 2.1985 2.3318 2.4456 2.4729 3.1954 3.4229 3.4936 3.7270 3.8916 3.9611 4.1809 4.3681 4.6277 4.7133 7.6562 7.7152 8.1210 8.1418 8.3294 8.4242 8.5387 8.6634 k =-0.1888 0.2692 0.3288 ( 7014 PWs) bands (ev): -6.6548 -6.6547 -5.9476 -5.9443 -5.8494 -5.8343 -5.6843 -5.6626 -3.1447 -3.1359 -3.0510 -3.0122 -1.6838 -1.6703 -1.5552 -1.4851 -1.4332 -1.4154 -0.6623 -0.5473 -0.2613 -0.0818 1.1780 1.2838 1.8010 1.8806 1.9395 2.0443 2.1928 2.3208 2.4536 2.4799 3.2228 3.4296 3.5018 3.7508 3.8731 3.9297 4.2099 4.3990 4.6403 4.7250 7.6767 7.7350 8.1469 8.1612 8.3519 8.4366 8.5006 8.6208 k =-0.1793 0.2558 0.3124 ( 7006 PWs) bands (ev): -6.6847 -6.6846 -5.9232 -5.9199 -5.8345 -5.8192 -5.6844 -5.6633 -3.1386 -3.1297 -3.0462 -3.0136 -1.6720 -1.6686 -1.5522 -1.4881 -1.4284 -1.4173 -0.6830 -0.5696 -0.3024 -0.1209 1.1911 1.2902 1.7956 1.9124 1.9395 2.0459 2.1888 2.3080 2.4653 2.4897 3.2468 3.4278 3.5097 3.7574 3.8570 3.9080 4.2497 4.4294 4.6620 4.7421 7.6927 7.7493 8.1685 8.1844 8.3652 8.4124 8.4838 8.5758 k =-0.1699 0.2423 0.2959 ( 7012 PWs) bands (ev): -6.7135 -6.7134 -5.8995 -5.8962 -5.8199 -5.8043 -5.6845 -5.6640 -3.1323 -3.1232 -3.0417 -3.0151 -1.6687 -1.6577 -1.5494 -1.4911 -1.4245 -1.4194 -0.7036 -0.5918 -0.3418 -0.1587 1.2036 1.2956 1.7878 1.9169 1.9672 2.0496 2.1881 2.2946 2.4796 2.5023 3.2658 3.4170 3.5127 3.7355 3.8482 3.9137 4.2962 4.4594 4.6925 4.7645 7.7011 7.7542 8.1828 8.2066 8.3508 8.3826 8.4677 8.5354 k =-0.1604 0.2288 0.2795 ( 7010 PWs) bands (ev): -6.7412 -6.7411 -5.8766 -5.8733 -5.8055 -5.7898 -5.6846 -5.6646 -3.1258 -3.1164 -3.0376 -3.0165 -1.6670 -1.6447 -1.5465 -1.4940 -1.4231 -1.4197 -0.7240 -0.6139 -0.3790 -0.1951 1.2163 1.3009 1.7793 1.9084 2.0037 2.0539 2.1923 2.2823 2.4952 2.5171 3.2790 3.3993 3.5043 3.6928 3.8529 3.9423 4.3473 4.4903 4.7305 4.7921 7.6974 7.7448 8.1856 8.2176 8.3074 8.3660 8.4402 8.4966 k =-0.1510 0.2154 0.2630 ( 7010 PWs) bands (ev): -6.7678 -6.7676 -5.8545 -5.8512 -5.7914 -5.7758 -5.6845 -5.6653 -3.1192 -3.1093 -3.0339 -3.0180 -1.6650 -1.6315 -1.5436 -1.4968 -1.4252 -1.4173 -0.7440 -0.6362 -0.4138 -0.2301 1.2298 1.3069 1.7714 1.8975 2.0270 2.0661 2.2014 2.2730 2.5110 2.5334 3.2859 3.3768 3.4825 3.6409 3.8756 3.9813 4.4017 4.5238 4.7741 4.8240 7.6763 7.7160 8.1724 8.2019 8.2587 8.3391 8.4173 8.4695 k =-0.1416 0.2019 0.2466 ( 7010 PWs) bands (ev): -6.7930 -6.7929 -5.8334 -5.8300 -5.7778 -5.7622 -5.6843 -5.6659 -3.1126 -3.1021 -3.0306 -3.0194 -1.6626 -1.6183 -1.5405 -1.4996 -1.4280 -1.4154 -0.7635 -0.6589 -0.4456 -0.2636 1.2447 1.3142 1.7645 1.8854 2.0275 2.0907 2.2148 2.2690 2.5260 2.5504 3.2865 3.3515 3.4507 3.5859 3.9135 4.0256 4.4588 4.5613 4.8214 4.8597 7.6337 7.6658 8.1303 8.1574 8.2106 8.3002 8.4158 8.4774 k =-0.1321 0.1884 0.2302 ( 7016 PWs) bands (ev): -6.8169 -6.8168 -5.8133 -5.8099 -5.7647 -5.7493 -5.6840 -5.6664 -3.1059 -3.0949 -3.0278 -3.0207 -1.6597 -1.6053 -1.5371 -1.5021 -1.4309 -1.4141 -0.7825 -0.6822 -0.4742 -0.2955 1.2614 1.3233 1.7594 1.8728 2.0190 2.1101 2.2329 2.2713 2.5388 2.5671 3.2812 3.3252 3.4139 3.5312 3.9618 4.0728 4.5182 4.6036 4.8710 4.8984 7.5690 7.5963 8.0443 8.0991 8.1743 8.2698 8.4392 8.5053 k =-0.1227 0.1750 0.2137 ( 7016 PWs) bands (ev): -6.8394 -6.8392 -5.7944 -5.7908 -5.7521 -5.7371 -5.6836 -5.6669 -3.0992 -3.0877 -3.0255 -3.0219 -1.6564 -1.5927 -1.5332 -1.5045 -1.4340 -1.4135 -0.8011 -0.7063 -0.4991 -0.3256 1.2801 1.3346 1.7561 1.8601 2.0072 2.1176 2.2559 2.2783 2.5483 2.5821 3.2704 3.2996 3.3771 3.4794 4.0164 4.1218 4.5798 4.6508 4.9215 4.9393 7.4861 7.5118 7.9471 8.0124 8.1544 8.2528 8.4738 8.5414 k =-0.1133 0.1615 0.1973 ( 7014 PWs) bands (ev): -6.8604 -6.8602 -5.7766 -5.7731 -5.7402 -5.7258 -5.6829 -5.6672 -3.0926 -3.0806 -3.0239 -3.0227 -1.6527 -1.5809 -1.5288 -1.5064 -1.4371 -1.4134 -0.8192 -0.7313 -0.5203 -0.3539 1.3011 1.3483 1.7549 1.8475 1.9941 2.1157 2.2776 2.2905 2.5532 2.5944 3.2548 3.2762 3.3443 3.4323 4.0743 4.1714 4.6437 4.7027 4.9720 4.9816 7.3909 7.4162 7.8490 7.9165 8.1373 8.2384 8.5135 8.5807 k =-0.1038 0.1481 0.1808 ( 7008 PWs) bands (ev): -6.8799 -6.8797 -5.7602 -5.7566 -5.7290 -5.7155 -5.6817 -5.6672 -3.0861 -3.0738 -3.0242 -3.0219 -1.6486 -1.5703 -1.5240 -1.5073 -1.4403 -1.4139 -0.8368 -0.7569 -0.5377 -0.3804 1.3242 1.3646 1.7558 1.8351 1.9805 2.1086 2.2854 2.3132 2.5525 2.6027 3.2349 3.2566 3.3183 3.3916 4.1334 4.2207 4.7097 4.7590 5.0215 5.0248 7.2886 7.3130 7.7537 7.8201 8.1169 8.2195 8.5557 8.6201 k =-0.0944 0.1346 0.1644 ( 7020 PWs) bands (ev): -6.8978 -6.8977 -5.7452 -5.7415 -5.7187 -5.7067 -5.6799 -5.6669 -3.0799 -3.0673 -3.0249 -3.0210 -1.6442 -1.5616 -1.5199 -1.5056 -1.4435 -1.4146 -0.8539 -0.7828 -0.5515 -0.4051 1.3492 1.3838 1.7585 1.8233 1.9669 2.0995 2.2852 2.3354 2.5459 2.6059 3.2124 3.2429 3.2991 3.3585 4.1917 4.2685 4.7777 4.8192 5.0665 5.0708 7.1828 7.2053 7.6630 7.7267 8.0916 8.1930 8.5989 8.6581 k =-0.0849 0.1211 0.1480 ( 7022 PWs) bands (ev): -6.9141 -6.9140 -5.7317 -5.7279 -5.7095 -5.6996 -5.6771 -5.6660 -3.0738 -3.0611 -3.0255 -3.0205 -1.6394 -1.5555 -1.5174 -1.4999 -1.4466 -1.4155 -0.8705 -0.8087 -0.5620 -0.4278 1.3755 1.4064 1.7622 1.8129 1.9534 2.0899 2.2784 2.3525 2.5341 2.6037 3.1910 3.2352 3.2848 3.3342 4.2481 4.3142 4.8477 4.8826 5.1085 5.1168 7.0759 7.0959 7.5782 7.6381 8.0616 8.1589 8.6416 8.6941 k =-0.0755 0.1077 0.1315 ( 7033 PWs) bands (ev): -6.9289 -6.9287 -5.7197 -5.7159 -5.7016 -5.6947 -5.6730 -5.6642 -3.0680 -3.0555 -3.0259 -3.0204 -1.6343 -1.5523 -1.5152 -1.4917 -1.4494 -1.4163 -0.8864 -0.8340 -0.5696 -0.4487 1.4023 1.4327 1.7649 1.8061 1.9400 2.0806 2.2646 2.3628 2.5185 2.5964 3.1739 3.2321 3.2736 3.3195 4.3011 4.3568 4.9190 4.9485 5.1488 5.1601 6.9699 6.9868 7.5002 7.5554 8.0285 8.1190 8.6827 8.7275 k =-0.0661 0.0942 0.1151 ( 7037 PWs) bands (ev): -6.9419 -6.9418 -5.7094 -5.7054 -5.6953 -5.6915 -5.6682 -5.6613 -3.0625 -3.0504 -3.0262 -3.0207 -1.6289 -1.5520 -1.5120 -1.4828 -1.4517 -1.4170 -0.9015 -0.8581 -0.5746 -0.4678 1.4290 1.4627 1.7628 1.8067 1.9266 2.0721 2.2444 2.3649 2.5016 2.5850 3.1624 3.2306 3.2665 3.3134 4.3499 4.3957 4.9909 5.0160 5.1867 5.2001 6.8665 6.8800 7.4298 7.4796 7.9942 8.0762 8.7210 8.7576 k =-0.0566 0.0808 0.0986 ( 7033 PWs) bands (ev): -6.9533 -6.9532 -5.7011 -5.6965 -5.6905 -5.6894 -5.6630 -5.6574 -3.0574 -3.0458 -3.0264 -3.0213 -1.6233 -1.5541 -1.5078 -1.4751 -1.4523 -1.4174 -0.9156 -0.8806 -0.5772 -0.4852 1.4554 1.4954 1.7554 1.8152 1.9128 2.0641 2.2195 2.3574 2.4865 2.5711 3.1564 3.2268 3.2666 3.3131 4.3936 4.4304 5.0623 5.0836 5.2217 5.2361 6.7673 6.7775 7.3678 7.4116 7.9609 8.0329 8.7553 8.7838 k =-0.0472 0.0673 0.0822 ( 7041 PWs) bands (ev): -6.9629 -6.9628 -5.6951 -5.6894 -5.6876 -5.6863 -5.6579 -5.6531 -3.0527 -3.0419 -3.0265 -3.0222 -1.6175 -1.5577 -1.5032 -1.4712 -1.4495 -1.4175 -0.9282 -0.9010 -0.5779 -0.5009 1.4815 1.5292 1.7461 1.8287 1.8981 2.0555 2.1932 2.3400 2.4759 2.5559 3.1551 3.2202 3.2735 3.3160 4.4317 4.4603 5.1315 5.1496 5.2531 5.2676 6.6744 6.6815 7.3148 7.3520 7.9305 7.9917 8.7845 8.8056 k =-0.0378 0.0538 0.0658 ( 7045 PWs) bands (ev): -6.9708 -6.9707 -5.6917 -5.6873 -5.6828 -5.6820 -5.6531 -5.6492 -3.0484 -3.0387 -3.0266 -3.0233 -1.6114 -1.5624 -1.4985 -1.4712 -1.4435 -1.4175 -0.9392 -0.9188 -0.5767 -0.5150 1.5072 1.5616 1.7380 1.8447 1.8824 2.0433 2.1712 2.3144 2.4706 2.5405 3.1574 3.2129 3.2838 3.3199 4.4635 4.4850 5.1963 5.2111 5.2804 5.2944 6.5900 6.5946 7.2712 7.3015 7.9045 7.9542 8.8080 8.8227 k =-0.0283 0.0404 0.0493 ( 7053 PWs) bands (ev): -6.9770 -6.9769 -5.6899 -5.6868 -5.6782 -5.6780 -5.6489 -5.6459 -3.0445 -3.0362 -3.0268 -3.0245 -1.6052 -1.5678 -1.4940 -1.4731 -1.4366 -1.4176 -0.9479 -0.9335 -0.5739 -0.5275 1.5320 1.5883 1.7351 1.8545 1.8733 2.0242 2.1597 2.2840 2.4699 2.5255 3.1623 3.2055 3.2950 3.3232 4.4890 4.5042 5.2533 5.2643 5.3035 5.3166 6.5173 6.5203 7.2376 7.2606 7.8844 7.9221 8.8255 8.8354 k =-0.0189 0.0269 0.0329 ( 7057 PWs) bands (ev): -6.9814 -6.9814 -5.6887 -5.6867 -5.6750 -5.6749 -5.6456 -5.6436 -3.0411 -3.0348 -3.0270 -3.0256 -1.5989 -1.5736 -1.4897 -1.4758 -1.4304 -1.4180 -0.9540 -0.9448 -0.5696 -0.5387 1.5554 1.6034 1.7421 1.8375 1.8903 1.9983 2.1611 2.2521 2.4729 2.5114 3.1687 3.1982 3.3055 3.3249 4.5079 4.5175 5.2969 5.3033 5.3236 5.3355 6.4604 6.4624 7.2145 7.2299 7.8712 7.8965 8.8376 8.8438 k =-0.0094 0.0135 0.0164 ( 7055 PWs) bands (ev): -6.9840 -6.9840 -5.6879 -5.6869 -5.6731 -5.6730 -5.6434 -5.6424 -3.0382 -3.0347 -3.0271 -3.0263 -1.5925 -1.5798 -1.4858 -1.4789 -1.4253 -1.4193 -0.9570 -0.9525 -0.5639 -0.5484 1.5765 1.6041 1.7609 1.8132 1.9139 1.9691 2.1738 2.2215 2.4790 2.4986 3.1759 3.1909 3.3143 3.3241 4.5201 4.5248 5.3198 5.3223 5.3443 5.3512 6.4239 6.4250 7.2020 7.2098 7.8655 7.8783 8.8450 8.8480 k = 0.0000 0.0000 0.0000 ( 7043 PWs) bands (ev): -6.9849 -6.9849 -5.6873 -5.6873 -5.6724 -5.6724 -5.6423 -5.6423 -3.0360 -3.0360 -3.0268 -3.0268 -1.5861 -1.5861 -1.4822 -1.4822 -1.4216 -1.4216 -0.9566 -0.9566 -0.5568 -0.5568 1.5936 1.5936 1.7865 1.7865 1.9404 1.9404 2.1947 2.1947 2.4877 2.4877 3.1834 3.1834 3.3206 3.3206 4.5257 4.5257 5.3265 5.3265 5.3559 5.3559 6.4116 6.4116 7.2005 7.2005 7.8679 7.8679 8.8484 8.8484 k = 0.0000 0.0000 0.0000 ( 7043 PWs) bands (ev): -6.9849 -6.9849 -5.6873 -5.6873 -5.6724 -5.6724 -5.6423 -5.6423 -3.0360 -3.0360 -3.0268 -3.0268 -1.5861 -1.5861 -1.4822 -1.4822 -1.4216 -1.4216 -0.9566 -0.9566 -0.5568 -0.5568 1.5936 1.5936 1.7865 1.7865 1.9404 1.9404 2.1947 2.1947 2.4877 2.4877 3.1834 3.1834 3.3206 3.3206 4.5257 4.5257 5.3265 5.3265 5.3559 5.3559 6.4116 6.4116 7.2005 7.2005 7.8679 7.8679 8.8484 8.8484 k = 0.0192 0.0135 0.0000 ( 7059 PWs) bands (ev): -6.9840 -6.9840 -5.6886 -5.6886 -5.6724 -5.6724 -5.6425 -5.6425 -3.0368 -3.0368 -3.0266 -3.0266 -1.5873 -1.5873 -1.4823 -1.4823 -1.4219 -1.4219 -0.9546 -0.9546 -0.5555 -0.5555 1.5951 1.5951 1.7874 1.7874 1.9417 1.9417 2.1900 2.1900 2.4943 2.4943 3.1843 3.1843 3.3215 3.3215 4.5219 4.5219 5.3160 5.3160 5.3528 5.3528 6.4226 6.4226 7.2031 7.2031 7.8681 7.8681 8.8422 8.8422 k = 0.0385 0.0270 0.0000 ( 7067 PWs) bands (ev): -6.9813 -6.9813 -5.6925 -5.6925 -5.6724 -5.6724 -5.6432 -5.6432 -3.0392 -3.0392 -3.0262 -3.0262 -1.5906 -1.5906 -1.4827 -1.4827 -1.4225 -1.4225 -0.9487 -0.9487 -0.5513 -0.5513 1.5996 1.5996 1.7901 1.7901 1.9457 1.9457 2.1773 2.1773 2.5127 2.5127 3.1869 3.1869 3.3243 3.3243 4.5106 4.5106 5.2860 5.2860 5.3437 5.3437 6.4540 6.4540 7.2112 7.2112 7.8689 7.8689 8.8233 8.8233 k = 0.0577 0.0405 0.0000 ( 7055 PWs) bands (ev): -6.9769 -6.9769 -5.6991 -5.6991 -5.6725 -5.6725 -5.6441 -5.6441 -3.0428 -3.0428 -3.0259 -3.0259 -1.5957 -1.5957 -1.4834 -1.4834 -1.4235 -1.4235 -0.9396 -0.9396 -0.5438 -0.5438 1.6067 1.6067 1.7947 1.7947 1.9522 1.9522 2.1596 2.1596 2.5402 2.5402 3.1913 3.1913 3.3289 3.3289 4.4918 4.4918 5.2402 5.2402 5.3287 5.3287 6.5021 6.5021 7.2246 7.2246 7.8698 7.8698 8.7909 8.7909 k = 0.0769 0.0539 0.0000 ( 7040 PWs) bands (ev): -6.9706 -6.9706 -5.7087 -5.7087 -5.6725 -5.6725 -5.6451 -5.6451 -3.0472 -3.0472 -3.0259 -3.0259 -1.6024 -1.6024 -1.4847 -1.4847 -1.4249 -1.4249 -0.9282 -0.9282 -0.5326 -0.5326 1.6156 1.6156 1.8012 1.8012 1.9612 1.9612 2.1400 2.1400 2.5740 2.5740 3.1974 3.1974 3.3353 3.3353 4.4656 4.4656 5.1832 5.1832 5.3082 5.3082 6.5622 6.5622 7.2434 7.2434 7.8705 7.8705 8.7448 8.7448 k = 0.0962 0.0674 0.0000 ( 7044 PWs) bands (ev): -6.9625 -6.9625 -5.7211 -5.7211 -5.6725 -5.6725 -5.6460 -5.6460 -3.0525 -3.0525 -3.0262 -3.0262 -1.6101 -1.6101 -1.4864 -1.4864 -1.4266 -1.4266 -0.9157 -0.9157 -0.5168 -0.5168 1.6255 1.6255 1.8098 1.8098 1.9724 1.9724 2.1211 2.1211 2.6121 2.6121 3.2050 3.2050 3.3434 3.3434 4.4322 4.4322 5.1191 5.1191 5.2825 5.2825 6.6299 6.6299 7.2676 7.2676 7.8703 7.8703 8.6853 8.6853 k = 0.1154 0.0809 0.0000 ( 7052 PWs) bands (ev): -6.9528 -6.9528 -5.7364 -5.7364 -5.6726 -5.6726 -5.6468 -5.6468 -3.0584 -3.0584 -3.0269 -3.0269 -1.6184 -1.6184 -1.4888 -1.4888 -1.4287 -1.4287 -0.9033 -0.9033 -0.4957 -0.4957 1.6349 1.6349 1.8209 1.8209 1.9853 1.9853 2.1052 2.1052 2.6531 2.6531 3.2141 3.2141 3.3530 3.3530 4.3919 4.3919 5.0513 5.0513 5.2522 5.2522 6.7017 6.7017 7.2971 7.2971 7.8683 7.8683 8.6138 8.6138 k = 0.1346 0.0944 0.0000 ( 7040 PWs) bands (ev): -6.9413 -6.9413 -5.7544 -5.7544 -5.6727 -5.6727 -5.6475 -5.6475 -3.0648 -3.0648 -3.0277 -3.0277 -1.6270 -1.6270 -1.4918 -1.4918 -1.4311 -1.4311 -0.8921 -0.8921 -0.4686 -0.4686 1.6421 1.6421 1.8348 1.8348 1.9993 1.9993 2.0944 2.0945 2.6960 2.6960 3.2245 3.2245 3.3640 3.3640 4.3451 4.3451 4.9824 4.9824 5.2178 5.2178 6.7745 6.7745 7.3316 7.3316 7.8637 7.8637 8.5326 8.5326 k = 0.1538 0.1079 0.0000 ( 7016 PWs) bands (ev): -6.9281 -6.9281 -5.7750 -5.7750 -5.6727 -5.6727 -5.6481 -5.6481 -3.0716 -3.0716 -3.0288 -3.0288 -1.6357 -1.6357 -1.4953 -1.4953 -1.4337 -1.4337 -0.8827 -0.8827 -0.4354 -0.4354 1.6454 1.6454 1.8521 1.8521 2.0133 2.0133 2.0909 2.0909 2.7401 2.7401 3.2361 3.2361 3.3761 3.3761 4.2926 4.2926 4.9142 4.9142 5.1800 5.1800 6.8464 6.8464 7.3706 7.3706 7.8554 7.8554 8.4438 8.4438 k = 0.1731 0.1214 0.0000 ( 7016 PWs) bands (ev): -6.9132 -6.9132 -5.7980 -5.7980 -5.6728 -5.6728 -5.6487 -5.6487 -3.0788 -3.0788 -3.0301 -3.0301 -1.6442 -1.6442 -1.4995 -1.4995 -1.4365 -1.4365 -0.8757 -0.8757 -0.3959 -0.3959 1.6436 1.6436 1.8731 1.8731 2.0262 2.0262 2.0961 2.0961 2.7848 2.7848 3.2487 3.2487 3.3892 3.3892 4.2352 4.2352 4.8478 4.8478 5.1394 5.1394 6.9158 6.9158 7.4132 7.4132 7.8427 7.8427 8.3498 8.3498 k = 0.1923 0.1348 0.0000 ( 7032 PWs) bands (ev): -6.8967 -6.8967 -5.8232 -5.8232 -5.6729 -5.6729 -5.6492 -5.6492 -3.0861 -3.0861 -3.0316 -3.0316 -1.6523 -1.6523 -1.5041 -1.5040 -1.4394 -1.4394 -0.8711 -0.8711 -0.3507 -0.3507 1.6361 1.6361 1.8974 1.8974 2.0384 2.0384 2.1099 2.1099 2.8298 2.8298 3.2620 3.2620 3.4029 3.4029 4.1740 4.1740 4.7841 4.7841 5.0967 5.0967 6.9817 6.9817 7.4579 7.4579 7.8251 7.8251 8.2522 8.2523 k = 0.2115 0.1483 0.0000 ( 7028 PWs) bands (ev): -6.8786 -6.8786 -5.8504 -5.8504 -5.6730 -5.6730 -5.6496 -5.6496 -3.0935 -3.0935 -3.0332 -3.0332 -1.6599 -1.6599 -1.5090 -1.5090 -1.4425 -1.4425 -0.8685 -0.8685 -0.3002 -0.3002 1.6232 1.6232 1.9244 1.9244 2.0512 2.0513 2.1303 2.1303 2.8747 2.8747 3.2758 3.2758 3.4169 3.4169 4.1103 4.1103 4.7233 4.7233 5.0526 5.0526 7.0435 7.0435 7.5024 7.5024 7.8030 7.8030 8.1525 8.1525 k = 0.2308 0.1618 0.0000 ( 7016 PWs) bands (ev): -6.8590 -6.8590 -5.8795 -5.8795 -5.6731 -5.6731 -5.6500 -5.6500 -3.1008 -3.1008 -3.0348 -3.0348 -1.6671 -1.6671 -1.5143 -1.5143 -1.4456 -1.4456 -0.8678 -0.8678 -0.2454 -0.2454 1.6055 1.6055 1.9532 1.9533 2.0663 2.0663 2.1552 2.1552 2.9190 2.9190 3.2899 3.2900 3.4307 3.4307 4.0457 4.0457 4.6658 4.6658 5.0078 5.0078 7.1008 7.1008 7.5427 7.5427 7.7781 7.7781 8.0506 8.0506 k = 0.2500 0.1753 0.0000 ( 7012 PWs) bands (ev): -6.8379 -6.8379 -5.9101 -5.9101 -5.6732 -5.6732 -5.6504 -5.6504 -3.1080 -3.1080 -3.0365 -3.0365 -1.6737 -1.6737 -1.5198 -1.5198 -1.4488 -1.4488 -0.8684 -0.8684 -0.1869 -0.1869 1.5839 1.5839 1.9828 1.9828 2.0839 2.0839 2.1831 2.1831 2.9624 2.9624 3.3040 3.3040 3.4437 3.4437 3.9816 3.9816 4.6117 4.6117 4.9629 4.9629 7.1528 7.1528 7.5717 7.5717 7.7527 7.7527 7.9481 7.9481 k = 0.2692 0.1888 0.0000 ( 7016 PWs) bands (ev): -6.8155 -6.8155 -5.9421 -5.9421 -5.6733 -5.6733 -5.6507 -5.6507 -3.1150 -3.1150 -3.0383 -3.0383 -1.6797 -1.6797 -1.5255 -1.5255 -1.4519 -1.4519 -0.8701 -0.8701 -0.1256 -0.1256 1.5591 1.5591 2.0121 2.0121 2.1042 2.1042 2.2130 2.2130 3.0045 3.0045 3.3178 3.3178 3.4552 3.4552 3.9197 3.9197 4.5611 4.5611 4.9187 4.9187 7.1981 7.1981 7.5790 7.5790 7.7245 7.7245 7.8555 7.8555 k = 0.2885 0.2023 0.0000 ( 7024 PWs) bands (ev): -6.7917 -6.7917 -5.9752 -5.9752 -5.6734 -5.6734 -5.6510 -5.6510 -3.1216 -3.1216 -3.0400 -3.0400 -1.6851 -1.6851 -1.5311 -1.5311 -1.4550 -1.4549 -0.8725 -0.8725 -0.0623 -0.0623 1.5319 1.5320 2.0403 2.0403 2.1266 2.1267 2.2442 2.2442 3.0451 3.0451 3.3310 3.3310 3.4645 3.4645 3.8616 3.8616 4.5140 4.5140 4.8757 4.8757 7.2341 7.2341 7.5579 7.5579 7.6799 7.6799 7.7774 7.7774 k = 0.3077 0.2157 0.0000 ( 7020 PWs) bands (ev): -6.7667 -6.7667 -6.0093 -6.0093 -5.6735 -5.6735 -5.6513 -5.6513 -3.1279 -3.1279 -3.0417 -3.0417 -1.6899 -1.6899 -1.5367 -1.5367 -1.4579 -1.4579 -0.8754 -0.8754 0.0021 0.0021 1.5028 1.5028 2.0667 2.0667 2.1507 2.1507 2.2759 2.2759 3.0836 3.0836 3.3433 3.3433 3.4706 3.4706 3.8089 3.8089 4.4708 4.4708 4.8346 4.8346 7.2557 7.2557 7.5111 7.5111 7.6283 7.6283 7.7040 7.7040 k = 0.3269 0.2292 0.0000 ( 7008 PWs) bands (ev): -6.7407 -6.7407 -6.0439 -6.0439 -5.6735 -5.6735 -5.6516 -5.6516 -3.1336 -3.1336 -3.0433 -3.0433 -1.6942 -1.6942 -1.5421 -1.5421 -1.4607 -1.4607 -0.8784 -0.8784 0.0669 0.0669 1.4723 1.4723 2.0911 2.0911 2.1754 2.1755 2.3074 2.3074 3.1198 3.1198 3.3544 3.3544 3.4725 3.4725 3.7635 3.7635 4.4315 4.4315 4.7960 4.7960 7.2557 7.2557 7.4521 7.4521 7.5803 7.5803 7.6417 7.6417 k = 0.3462 0.2427 0.0000 ( 6996 PWs) bands (ev): -6.7138 -6.7138 -6.0789 -6.0789 -5.6736 -5.6736 -5.6519 -5.6519 -3.1389 -3.1389 -3.0448 -3.0448 -1.6979 -1.6979 -1.5473 -1.5473 -1.4633 -1.4633 -0.8816 -0.8816 0.1310 0.1310 1.4407 1.4407 2.1132 2.1132 2.2002 2.2002 2.3381 2.3381 3.1533 3.1533 3.3640 3.3640 3.4697 3.4697 3.7265 3.7265 4.3963 4.3963 4.7604 4.7604 7.2286 7.2286 7.3985 7.3985 7.5244 7.5244 7.5846 7.5846 k = 0.3654 0.2562 0.0000 ( 6988 PWs) bands (ev): -6.6862 -6.6862 -6.1138 -6.1138 -5.6737 -5.6737 -5.6521 -5.6521 -3.1437 -3.1437 -3.0462 -3.0462 -1.7011 -1.7011 -1.5521 -1.5521 -1.4657 -1.4657 -0.8846 -0.8846 0.1935 0.1936 1.4086 1.4086 2.1330 2.1330 2.2240 2.2240 2.3673 2.3673 3.1836 3.1836 3.3715 3.3716 3.4626 3.4626 3.6985 3.6985 4.3655 4.3655 4.7282 4.7282 7.1803 7.1803 7.3552 7.3552 7.4663 7.4663 7.5246 7.5246 k = 0.3846 0.2697 0.0000 ( 6988 PWs) bands (ev): -6.6584 -6.6584 -6.1483 -6.1483 -5.6738 -5.6738 -5.6523 -5.6523 -3.1478 -3.1478 -3.0475 -3.0475 -1.7038 -1.7038 -1.5565 -1.5565 -1.4678 -1.4678 -0.8874 -0.8874 0.2533 0.2533 1.3767 1.3767 2.1503 2.1503 2.2461 2.2461 2.3941 2.3941 3.2103 3.2103 3.3764 3.3764 3.4531 3.4531 3.6784 3.6784 4.3390 4.3390 4.6998 4.6998 7.1239 7.1239 7.3179 7.3179 7.4135 7.4135 7.4685 7.4685 k = 0.4038 0.2832 0.0000 ( 6964 PWs) bands (ev): -6.6307 -6.6307 -6.1818 -6.1818 -5.6738 -5.6738 -5.6524 -5.6524 -3.1514 -3.1514 -3.0486 -3.0486 -1.7060 -1.7060 -1.5603 -1.5603 -1.4697 -1.4697 -0.8899 -0.8899 0.3089 0.3089 1.3457 1.3457 2.1650 2.1650 2.2659 2.2660 2.4180 2.4180 3.2333 3.2333 3.3774 3.3775 3.4444 3.4444 3.6646 3.6646 4.3170 4.3170 4.6756 4.6756 7.0692 7.0692 7.2839 7.2839 7.3691 7.3691 7.4189 7.4189 k = 0.4231 0.2966 0.0000 ( 6980 PWs) bands (ev): -6.6039 -6.6039 -6.2134 -6.2134 -5.6739 -5.6739 -5.6526 -5.6526 -3.1543 -3.1543 -3.0495 -3.0495 -1.7078 -1.7078 -1.5636 -1.5636 -1.4712 -1.4712 -0.8920 -0.8920 0.3586 0.3586 1.3168 1.3168 2.1771 2.1771 2.2830 2.2830 2.4383 2.4383 3.2522 3.2522 3.3743 3.3743 3.4392 3.4392 3.6551 3.6551 4.2993 4.2993 4.6557 4.6557 7.0209 7.0209 7.2533 7.2533 7.3341 7.3341 7.3766 7.3766 k = 0.4423 0.3101 0.0000 ( 6972 PWs) bands (ev): -6.5791 -6.5791 -6.2419 -6.2419 -5.6739 -5.6739 -5.6527 -5.6527 -3.1567 -3.1567 -3.0502 -3.0502 -1.7091 -1.7091 -1.5662 -1.5662 -1.4725 -1.4725 -0.8937 -0.8937 0.4007 0.4007 1.2915 1.2915 2.1865 2.1865 2.2967 2.2967 2.4546 2.4546 3.2669 3.2669 3.3681 3.3681 3.4378 3.4378 3.6484 3.6484 4.2858 4.2858 4.6402 4.6402 6.9817 6.9817 7.2272 7.2272 7.3085 7.3085 7.3422 7.3422 k = 0.4615 0.3236 0.0000 ( 6984 PWs) bands (ev): -6.5582 -6.5582 -6.2656 -6.2656 -5.6739 -5.6739 -5.6528 -5.6528 -3.1583 -3.1583 -3.0508 -3.0508 -1.7101 -1.7101 -1.5681 -1.5681 -1.4733 -1.4733 -0.8950 -0.8950 0.4329 0.4329 1.2715 1.2715 2.1932 2.1932 2.3068 2.3068 2.4666 2.4666 3.2776 3.2776 3.3616 3.3616 3.4385 3.4385 3.6438 3.6438 4.2764 4.2764 4.6291 4.6291 6.9529 6.9529 7.2074 7.2074 7.2919 7.2919 7.3161 7.3161 k = 0.4808 0.3371 0.0000 ( 6972 PWs) bands (ev): -6.5438 -6.5438 -6.2817 -6.2817 -5.6739 -5.6739 -5.6528 -5.6528 -3.1593 -3.1593 -3.0511 -3.0511 -1.7106 -1.7106 -1.5692 -1.5692 -1.4739 -1.4739 -0.8957 -0.8957 0.4533 0.4533 1.2585 1.2585 2.1972 2.1972 2.3130 2.3130 2.4739 2.4739 3.2841 3.2841 3.3568 3.3568 3.4397 3.4397 3.6411 3.6411 4.2708 4.2708 4.6225 4.6225 6.9354 6.9354 7.1951 7.1951 7.2835 7.2835 7.2989 7.2989 k = 0.5000 0.3506 0.0000 ( 6976 PWs) bands (ev): -6.5385 -6.5385 -6.2876 -6.2876 -5.6739 -5.6739 -5.6528 -5.6528 -3.1596 -3.1596 -3.0512 -3.0512 -1.7108 -1.7108 -1.5696 -1.5696 -1.4741 -1.4741 -0.8960 -0.8960 0.4603 0.4603 1.2540 1.2540 2.1985 2.1985 2.3150 2.3150 2.4763 2.4763 3.2863 3.2863 3.3551 3.3551 3.4402 3.4402 3.6402 3.6402 4.2689 4.2689 4.6203 4.6203 6.9294 6.9294 7.1909 7.1909 7.2815 7.2815 7.2923 7.2923 k = 0.5000 0.3506 0.0000 ( 6976 PWs) bands (ev): -6.5385 -6.5385 -6.2876 -6.2876 -5.6739 -5.6739 -5.6528 -5.6528 -3.1596 -3.1596 -3.0512 -3.0512 -1.7108 -1.7108 -1.5696 -1.5696 -1.4741 -1.4741 -0.8960 -0.8960 0.4603 0.4603 1.2540 1.2540 2.1985 2.1985 2.3150 2.3150 2.4763 2.4763 3.2863 3.2863 3.3551 3.3551 3.4402 3.4402 3.6402 3.6402 4.2689 4.2689 4.6203 4.6203 6.9294 6.9294 7.1909 7.1909 7.2815 7.2815 7.2923 7.2923 k = 0.4906 0.3640 0.0164 ( 6972 PWs) bands (ev): -6.5379 -6.5377 -6.2874 -6.2870 -5.6747 -5.6745 -5.6542 -5.6528 -3.1629 -3.1563 -3.0559 -3.0472 -1.7186 -1.7032 -1.5848 -1.5552 -1.4778 -1.4698 -0.9054 -0.8812 0.4590 0.4622 1.2468 1.2560 2.1943 2.2009 2.3086 2.3210 2.4708 2.4813 3.2753 3.2854 3.3251 3.3772 3.4308 3.4621 3.6022 3.6791 4.2619 4.2750 4.6176 4.6208 6.9268 6.9354 7.1794 7.2081 7.2658 7.2853 7.3035 7.3103 k = 0.4811 0.3775 0.0328 ( 6988 PWs) bands (ev): -6.5359 -6.5354 -6.2864 -6.2856 -5.6770 -5.6768 -5.6568 -5.6537 -3.1660 -3.1530 -3.0612 -3.0438 -1.7266 -1.6956 -1.5997 -1.5425 -1.4807 -1.4655 -0.9092 -0.8616 0.4584 0.4646 1.2345 1.2528 2.1876 2.2019 2.3027 2.3253 2.4647 2.4863 3.2421 3.2756 3.3141 3.3683 3.4411 3.4936 3.5651 3.7187 4.2539 4.2802 4.6131 4.6192 6.9274 6.9441 7.1755 7.2287 7.2585 7.2915 7.3257 7.3418 k = 0.4717 0.3909 0.0493 ( 6996 PWs) bands (ev): -6.5324 -6.5317 -6.2847 -6.2835 -5.6817 -5.6811 -5.6598 -5.6551 -3.1690 -3.1497 -3.0671 -3.0411 -1.7349 -1.6880 -1.6138 -1.5328 -1.4819 -1.4610 -0.9071 -0.8377 0.4584 0.4677 1.2174 1.2444 2.1778 2.2017 2.2987 2.3273 2.4577 2.4917 3.1945 3.2656 3.3014 3.3552 3.4507 3.5259 3.5360 3.7588 4.2447 4.2845 4.6070 4.6160 6.9305 6.9545 7.1808 7.2489 7.2651 7.3078 7.3556 7.3791 k = 0.4623 0.4044 0.0657 ( 6998 PWs) bands (ev): -6.5275 -6.5267 -6.2823 -6.2807 -5.6893 -5.6880 -5.6626 -5.6562 -3.1718 -3.1466 -3.0735 -3.0389 -1.7435 -1.6805 -1.6265 -1.5274 -1.4806 -1.4566 -0.8991 -0.8099 0.4590 0.4715 1.1957 1.2309 2.1644 2.2004 2.2971 2.3264 2.4497 2.4979 3.1431 3.2536 3.2730 3.3546 3.4543 3.4914 3.5766 3.7991 4.2340 4.2877 4.6000 4.6115 6.9356 6.9657 7.1963 7.2681 7.2877 7.3338 7.3922 7.4213 k = 0.4529 0.4178 0.0821 ( 7010 PWs) bands (ev): -6.5213 -6.5202 -6.2792 -6.2771 -5.7000 -5.6979 -5.6648 -5.6568 -3.1743 -3.1437 -3.0803 -3.0371 -1.7524 -1.6732 -1.6373 -1.5262 -1.4768 -1.4523 -0.8854 -0.7788 0.4602 0.4758 1.1699 1.2126 2.1476 2.1981 2.2981 2.3225 2.4409 2.5052 3.0903 3.2240 3.2515 3.3604 3.4516 3.4565 3.6188 3.8394 4.2214 4.2895 4.5931 4.6065 6.9420 6.9771 7.2223 7.2944 7.3194 7.3680 7.4342 7.4675 k = 0.4434 0.4312 0.0985 ( 7006 PWs) bands (ev): -6.5136 -6.5123 -6.2754 -6.2729 -5.7135 -5.7107 -5.6664 -5.6571 -3.1766 -3.1412 -3.0873 -3.0357 -1.7614 -1.6667 -1.6454 -1.5281 -1.4718 -1.4482 -0.8664 -0.7450 0.4621 0.4808 1.1404 1.1899 2.1277 2.1949 2.3005 2.3163 2.4313 2.5136 3.0371 3.1784 3.2402 3.3675 3.4176 3.4495 3.6592 3.8793 4.2065 4.2898 4.5874 4.6016 6.9501 6.9886 7.2585 7.3289 7.3595 7.4087 7.4807 7.5170 k = 0.4340 0.4447 0.1149 ( 7010 PWs) bands (ev): -6.5046 -6.5031 -6.2710 -6.2681 -5.7295 -5.7260 -5.6677 -5.6572 -3.1786 -3.1390 -3.0946 -3.0345 -1.7703 -1.6632 -1.6487 -1.5316 -1.4667 -1.4444 -0.8429 -0.7091 0.4647 0.4864 1.1077 1.1633 2.1054 2.1908 2.2992 2.3125 2.4215 2.5229 2.9838 3.1284 3.2293 3.3732 3.3817 3.4439 3.6968 3.9188 4.1888 4.2884 4.5837 4.5977 6.9601 7.0006 7.3042 7.3692 7.4091 7.4543 7.5309 7.5692 k = 0.4246 0.4581 0.1314 ( 7012 PWs) bands (ev): -6.4943 -6.4925 -6.2661 -6.2627 -5.7477 -5.7435 -5.6688 -5.6571 -3.1803 -3.1373 -3.1017 -3.0334 -1.7790 -1.6651 -1.6448 -1.5359 -1.4619 -1.4410 -0.8156 -0.6716 0.4679 0.4926 1.0723 1.1331 2.0814 2.1858 2.2887 2.3157 2.4120 2.5328 2.9311 3.0764 3.2168 3.3459 3.3767 3.4398 3.7307 3.9576 4.1678 4.2855 4.5830 4.5955 6.9727 7.0138 7.3581 7.4135 7.4667 7.5042 7.5845 7.6234 k = 0.4152 0.4716 0.1478 ( 7004 PWs) bands (ev): -6.4826 -6.4807 -6.2607 -6.2569 -5.7678 -5.7631 -5.6698 -5.6570 -3.1818 -3.1362 -3.1087 -3.0322 -1.7870 -1.6685 -1.6380 -1.5404 -1.4578 -1.4380 -0.7854 -0.6332 0.4718 0.4992 1.0349 1.1001 2.0562 2.1798 2.2741 2.3198 2.4039 2.5426 2.8792 3.0235 3.2007 3.3151 3.3729 3.4407 3.7601 3.9953 4.1433 4.2817 4.5853 4.5958 6.9883 7.0286 7.4184 7.4618 7.5282 7.5589 7.6418 7.6792 k = 0.4057 0.4850 0.1642 ( 6992 PWs) bands (ev): -6.4697 -6.4676 -6.2551 -6.2508 -5.7896 -5.7843 -5.6708 -5.6568 -3.1830 -3.1360 -3.1151 -3.0310 -1.7943 -1.6713 -1.6307 -1.5449 -1.4544 -1.4353 -0.7532 -0.5945 0.4763 0.5062 0.9961 1.0648 2.0305 2.1728 2.2574 2.3213 2.3989 2.5516 2.8287 2.9706 3.1788 3.2909 3.3630 3.4474 3.7840 4.0316 4.1155 4.2780 4.5899 4.5996 7.0070 7.0456 7.4819 7.5147 7.5872 7.6207 7.7035 7.7361 k = 0.3963 0.4985 0.1806 ( 6986 PWs) bands (ev): -6.4555 -6.4532 -6.2493 -6.2446 -5.8128 -5.8069 -5.6717 -5.6566 -3.1840 -3.1369 -3.1203 -3.0295 -1.8006 -1.6733 -1.6232 -1.5489 -1.4516 -1.4327 -0.7201 -0.5563 0.4812 0.5133 0.9571 1.0281 2.0045 2.1648 2.2393 2.3183 2.3982 2.5590 2.7801 2.9188 3.1504 3.2748 3.3496 3.4580 3.8017 4.0623 4.0885 4.2756 4.5959 4.6076 7.0290 7.0649 7.5435 7.5750 7.6417 7.6868 7.7708 7.7943 k = 0.3869 0.5119 0.1971 ( 6988 PWs) bands (ev): -6.4401 -6.4376 -6.2436 -6.2385 -5.8369 -5.8305 -5.6725 -5.6565 -3.1847 -3.1394 -3.1238 -3.0279 -1.8058 -1.6745 -1.6161 -1.5522 -1.4494 -1.4304 -0.6869 -0.5192 0.4861 0.5201 0.9188 0.9908 1.9789 2.1553 2.2203 2.3107 2.4010 2.5633 2.7341 2.8693 3.1174 3.2653 3.3356 3.4710 3.8128 4.0457 4.1045 4.2755 4.6029 4.6191 7.0541 7.0867 7.5997 7.6427 7.6936 7.7515 7.8429 7.8558 k = 0.3774 0.5254 0.2135 ( 6992 PWs) bands (ev): -6.4236 -6.4209 -6.2383 -6.2328 -5.8616 -5.8547 -5.6733 -5.6563 -3.1853 -3.1434 -3.1255 -3.0261 -1.8099 -1.6750 -1.6095 -1.5546 -1.4479 -1.4280 -0.6545 -0.4841 0.4902 0.5261 0.8827 0.9542 1.9539 2.1441 2.2014 2.2997 2.4054 2.5630 2.6917 2.8234 3.0828 3.2600 3.3232 3.4855 3.8174 4.0106 4.1352 4.2783 4.6113 4.6328 7.0822 7.1109 7.6523 7.7122 7.7443 7.8116 7.9083 7.9315 k = 0.3680 0.5388 0.2299 ( 6996 PWs) bands (ev): -6.4059 -6.4031 -6.2339 -6.2279 -5.8863 -5.8789 -5.6741 -5.6562 -3.1857 -3.1481 -3.1260 -3.0241 -1.8127 -1.6750 -1.6038 -1.5556 -1.4469 -1.4257 -0.6239 -0.4516 0.4916 0.5307 0.8506 0.9200 1.9297 2.1301 2.1835 2.2865 2.4090 2.5566 2.6535 2.7826 3.0491 3.2569 3.3147 3.5008 3.8161 3.9738 4.1645 4.2840 4.6206 4.6476 7.1130 7.1374 7.7019 7.7767 7.7963 7.8675 7.9693 8.0167 k = 0.3586 0.5523 0.2463 ( 7010 PWs) bands (ev): -6.3873 -6.3843 -6.2307 -6.2244 -5.9103 -5.9024 -5.6749 -5.6561 -3.1860 -3.1527 -3.1258 -3.0220 -1.8144 -1.6746 -1.5993 -1.5549 -1.4463 -1.4235 -0.5956 -0.4224 0.4877 0.5337 0.8242 0.8908 1.9066 2.1126 2.1679 2.2719 2.4097 2.5437 2.6192 2.7485 3.0183 3.2545 3.3116 3.5161 3.8100 3.9373 4.1915 4.2921 4.6305 4.6628 7.1462 7.1659 7.7481 7.8303 7.8516 7.9198 8.0307 8.1041 k = 0.3492 0.5657 0.2627 ( 6998 PWs) bands (ev): -6.3677 -6.3645 -6.2296 -6.2231 -5.9326 -5.9243 -5.6757 -5.6561 -3.1862 -3.1570 -3.1251 -3.0199 -1.8149 -1.6739 -1.5962 -1.5522 -1.4463 -1.4213 -0.5704 -0.3973 0.4754 0.5339 0.8046 0.8704 1.8847 2.0911 2.1550 2.2564 2.4056 2.5266 2.5876 2.7210 2.9920 3.2529 3.3143 3.5305 3.8009 3.9030 4.2158 4.3016 4.6404 4.6776 7.1814 7.1962 7.7903 7.8769 7.9036 7.9682 8.0935 8.1908 k = 0.3397 0.5792 0.2792 ( 6990 PWs) bands (ev): -6.3472 -6.3439 -6.2313 -6.2249 -5.9523 -5.9437 -5.6764 -5.6561 -3.1864 -3.1607 -3.1237 -3.0177 -1.8141 -1.6730 -1.5943 -1.5478 -1.4465 -1.4192 -0.5489 -0.3767 0.4536 0.5293 0.7926 0.8621 1.8640 2.0663 2.1445 2.2400 2.3955 2.5092 2.5574 2.6983 2.9715 3.2530 3.3221 3.5426 3.7901 3.8730 4.2371 4.3114 4.6498 4.6914 7.2181 7.2281 7.8278 7.9202 7.9482 8.0110 8.1575 8.2745 k = 0.3303 0.5926 0.2956 ( 6994 PWs) bands (ev): -6.3260 -6.3225 -6.2366 -6.2306 -5.9683 -5.9594 -5.6771 -5.6562 -3.1864 -3.1639 -3.1219 -3.0157 -1.8123 -1.6721 -1.5932 -1.5420 -1.4472 -1.4172 -0.5312 -0.3609 0.4232 0.5168 0.7896 0.8670 1.8445 2.0392 2.1359 2.2228 2.3794 2.4932 2.5292 2.6776 2.9579 3.2559 3.3336 3.5509 3.7789 3.8503 4.2551 4.3204 4.6581 4.7038 7.2551 7.2618 7.8603 7.9607 7.9858 8.0465 8.2220 8.3532 k = 0.3209 0.6060 0.3120 ( 6998 PWs) bands (ev): -6.3046 -6.3008 -6.2460 -6.2408 -5.9797 -5.9705 -5.6778 -5.6563 -3.1864 -3.1663 -3.1194 -3.0137 -1.8093 -1.6712 -1.5923 -1.5354 -1.4481 -1.4154 -0.5178 -0.3502 0.3862 0.4953 0.7971 0.8830 1.8262 2.0107 2.1287 2.2049 2.3593 2.4772 2.5057 2.6568 2.9513 3.2620 3.3478 3.5536 3.7683 3.8378 4.2697 4.3276 4.6650 4.7143 7.2906 7.2984 7.8878 7.9977 8.0179 8.0742 8.2853 8.4253 k = 0.3115 0.6195 0.3284 ( 7008 PWs) bands (ev): -6.2860 -6.2811 -6.2568 -6.2534 -5.9861 -5.9767 -5.6784 -5.6564 -3.1862 -3.1681 -3.1164 -3.0120 -1.8053 -1.6704 -1.5914 -1.5282 -1.4493 -1.4137 -0.5087 -0.3446 0.3445 0.4658 0.8143 0.9075 1.8090 1.9815 2.1223 2.1863 2.3374 2.4579 2.4901 2.6349 2.9511 3.2714 3.3637 3.5504 3.7595 3.8371 4.2805 4.3324 4.6700 4.7226 7.3245 7.3370 7.9108 8.0301 8.0461 8.0952 8.3461 8.4897 k = 0.3115 0.6195 0.3284 ( 7008 PWs) bands (ev): -6.2860 -6.2811 -6.2568 -6.2534 -5.9861 -5.9767 -5.6784 -5.6564 -3.1862 -3.1681 -3.1164 -3.0120 -1.8053 -1.6704 -1.5914 -1.5282 -1.4493 -1.4137 -0.5087 -0.3446 0.3445 0.4658 0.8143 0.9075 1.8090 1.9815 2.1223 2.1863 2.3374 2.4579 2.4901 2.6349 2.9511 3.2714 3.3637 3.5504 3.7595 3.8371 4.2805 4.3324 4.6700 4.7226 7.3245 7.3370 7.9108 8.0301 8.0461 8.0952 8.3461 8.4897 k = 0.2907 0.6136 0.3356 ( 7004 PWs) bands (ev): -6.2919 -6.2869 -6.2497 -6.2463 -5.9863 -5.9768 -5.6790 -5.6568 -3.1859 -3.1687 -3.1146 -3.0114 -1.8029 -1.6703 -1.5906 -1.5248 -1.4499 -1.4131 -0.5066 -0.3449 0.3238 0.4479 0.8282 0.9229 1.7987 1.9612 2.1188 2.1816 2.3285 2.4481 2.4894 2.6297 2.9529 3.2748 3.3704 3.5484 3.7580 3.8402 4.2789 4.3295 4.6751 4.7278 7.3412 7.3574 7.9175 8.0367 8.0596 8.1092 8.3735 8.5145 k = 0.2699 0.6078 0.3427 ( 7002 PWs) bands (ev): -6.3065 -6.3020 -6.2359 -6.2325 -5.9831 -5.9733 -5.6801 -5.6578 -3.1855 -3.1691 -3.1121 -3.0109 -1.7999 -1.6704 -1.5892 -1.5211 -1.4505 -1.4126 -0.5065 -0.3487 0.3014 0.4253 0.8486 0.9428 1.7827 1.9292 2.1127 2.1793 2.3243 2.4381 2.4946 2.6333 2.9564 3.2754 3.3763 3.5485 3.7599 3.8443 4.2677 4.3190 4.6847 4.7356 7.3623 7.3843 7.9221 8.0329 8.0807 8.1278 8.4052 8.5384 k = 0.2492 0.6020 0.3498 ( 7002 PWs) bands (ev): -6.3217 -6.3177 -6.2240 -6.2209 -5.9764 -5.9662 -5.6819 -5.6594 -3.1850 -3.1695 -3.1088 -3.0107 -1.7963 -1.6710 -1.5870 -1.5172 -1.4511 -1.4123 -0.5084 -0.3564 0.2800 0.4011 0.8729 0.9652 1.7620 1.8908 2.1031 2.1719 2.3301 2.4301 2.5024 2.6446 2.9618 3.2729 3.3818 3.5511 3.7653 3.8488 4.2495 4.3027 4.6953 4.7434 7.3876 7.4171 7.9279 8.0294 8.1040 8.1440 8.4428 8.5648 k = 0.2284 0.5961 0.3570 ( 7005 PWs) bands (ev): -6.3362 -6.3326 -6.2152 -6.2124 -5.9662 -5.9556 -5.6843 -5.6618 -3.1844 -3.1699 -3.1048 -3.0107 -1.7920 -1.6722 -1.5840 -1.5132 -1.4517 -1.4123 -0.5123 -0.3680 0.2615 0.3773 0.8989 0.9884 1.7379 1.8500 2.0895 2.1566 2.3470 2.4257 2.5108 2.6617 2.9692 3.2673 3.3874 3.5563 3.7739 3.8536 4.2267 4.2827 4.7040 4.7491 7.4172 7.4553 7.9366 8.0307 8.1258 8.1563 8.4870 8.5963 k = 0.2076 0.5903 0.3641 ( 7011 PWs) bands (ev): -6.3497 -6.3465 -6.2094 -6.2070 -5.9532 -5.9419 -5.6875 -5.6651 -3.1837 -3.1703 -3.1001 -3.0111 -1.7872 -1.6740 -1.5801 -1.5091 -1.4523 -1.4124 -0.5179 -0.3831 0.2466 0.3551 0.9253 1.0114 1.7117 1.8090 2.0721 2.1355 2.3710 2.4261 2.5186 2.6825 2.9786 3.2585 3.3938 3.5635 3.7852 3.8592 4.2011 4.2606 4.7084 4.7510 7.4508 7.4982 7.9486 8.0380 8.1444 8.1659 8.5374 8.6344 k = 0.1869 0.5844 0.3712 ( 6997 PWs) bands (ev): -6.3621 -6.3592 -6.2061 -6.2040 -5.9378 -5.9258 -5.6915 -5.6691 -3.1830 -3.1708 -3.0949 -3.0118 -1.7819 -1.6765 -1.5753 -1.5052 -1.4528 -1.4130 -0.5248 -0.4012 0.2358 0.3353 0.9513 1.0334 1.6849 1.7693 2.0519 2.1114 2.3960 2.4337 2.5256 2.7049 2.9899 3.2466 3.4015 3.5718 3.7987 3.8665 4.1743 4.2379 4.7070 4.7482 7.4883 7.5451 7.9640 8.0508 8.1570 8.1769 8.5932 8.6794 k = 0.1661 0.5786 0.3784 ( 7007 PWs) bands (ev): -6.3733 -6.3708 -6.2047 -6.2029 -5.9208 -5.9082 -5.6963 -5.6742 -3.1822 -3.1712 -3.0893 -3.0130 -1.7761 -1.6796 -1.5698 -1.5017 -1.4531 -1.4138 -0.5327 -0.4215 0.2289 0.3181 0.9763 1.0538 1.6584 1.7317 2.0304 2.0862 2.4144 2.4525 2.5324 2.7274 3.0024 3.2323 3.4109 3.5797 3.8136 3.8764 4.1476 4.2159 4.6996 4.7403 7.5295 7.5952 7.9822 8.0670 8.1630 8.1924 8.6531 8.7301 k = 0.1453 0.5727 0.3855 ( 7007 PWs) bands (ev): -6.3832 -6.3811 -6.2045 -6.2031 -5.9030 -5.8897 -5.7020 -5.6801 -3.1813 -3.1717 -3.0832 -3.0146 -1.7699 -1.6832 -1.5636 -1.4988 -1.4531 -1.4150 -0.5409 -0.4429 0.2253 0.3035 1.0000 1.0721 1.6332 1.6968 2.0091 2.0609 2.4263 2.4778 2.5414 2.7482 3.0155 3.2161 3.4223 3.5859 3.8291 3.8894 4.1220 4.1959 4.6863 4.7274 7.5737 7.6471 8.0026 8.0837 8.1659 8.2113 8.7154 8.7848 k = 0.1246 0.5669 0.3927 ( 7008 PWs) bands (ev): -6.3919 -6.3901 -6.2052 -6.2040 -5.8848 -5.8709 -5.7085 -5.6871 -3.1805 -3.1722 -3.0770 -3.0167 -1.7634 -1.6874 -1.5569 -1.4970 -1.4526 -1.4167 -0.5488 -0.4646 0.2244 0.2912 1.0222 1.0878 1.6103 1.6651 1.9894 2.0364 2.4365 2.4975 2.5579 2.7660 3.0286 3.1990 3.4357 3.5893 3.8446 3.9049 4.0989 4.1788 4.6683 4.7098 7.6203 7.6992 8.0245 8.0985 8.1680 8.2322 8.7784 8.8405 k = 0.1038 0.5611 0.3998 ( 7007 PWs) bands (ev): -6.3993 -6.3978 -6.2063 -6.2053 -5.8668 -5.8524 -5.7158 -5.6950 -3.1797 -3.1727 -3.0706 -3.0194 -1.7566 -1.6922 -1.5498 -1.4964 -1.4512 -1.4187 -0.5558 -0.4856 0.2256 0.2809 1.0426 1.1007 1.5904 1.6368 1.9722 2.0136 2.4463 2.5061 2.5851 2.7792 3.0414 3.1816 3.4510 3.5893 3.8593 3.9211 4.0802 4.1654 4.6475 4.6885 7.6680 7.7491 8.0473 8.1105 8.1700 8.2530 8.8399 8.8941 k = 0.0831 0.5552 0.4069 ( 7011 PWs) bands (ev): -6.4053 -6.4041 -6.2075 -6.2067 -5.8494 -5.8347 -5.7237 -5.7039 -3.1788 -3.1732 -3.0642 -3.0225 -1.7497 -1.6974 -1.5425 -1.4974 -1.4490 -1.4212 -0.5612 -0.5052 0.2284 0.2722 1.0612 1.1103 1.5742 1.6121 1.9583 1.9930 2.4559 2.5075 2.6178 2.7864 3.0537 3.1646 3.4680 3.5859 3.8725 3.9343 4.0692 4.1555 4.6260 4.6650 7.7152 7.7933 8.0701 8.1208 8.1724 8.2697 8.8970 8.9421 k = 0.0623 0.5494 0.4141 ( 7011 PWs) bands (ev): -6.4100 -6.4091 -6.2086 -6.2080 -5.8329 -5.8186 -5.7318 -5.7136 -3.1780 -3.1738 -3.0578 -3.0262 -1.7427 -1.7030 -1.5351 -1.4999 -1.4460 -1.4241 -0.5646 -0.5226 0.2322 0.2648 1.0777 1.1163 1.5621 1.5914 1.9482 1.9753 2.4651 2.5054 2.6519 2.7864 3.0658 3.1484 3.4860 3.5789 3.8843 3.9398 4.0694 4.1479 4.6068 4.6409 7.7595 7.8280 8.0915 8.1304 8.1771 8.2785 8.9466 8.9813 k = 0.0415 0.5435 0.4212 ( 7027 PWs) bands (ev): -6.4133 -6.4127 -6.2094 -6.2091 -5.8180 -5.8052 -5.7391 -5.7237 -3.1773 -3.1744 -3.0517 -3.0304 -1.7357 -1.7090 -1.5278 -1.5037 -1.4425 -1.4274 -0.5653 -0.5374 0.2367 0.2582 1.0918 1.1185 1.5548 1.5748 1.9422 1.9608 2.4738 2.5012 2.6849 2.7788 3.0781 3.1331 3.5046 3.5688 3.8950 3.9364 4.0807 4.1401 4.5928 4.6186 7.7985 7.8497 8.1087 8.1370 8.1896 8.2765 8.9856 9.0091 k = 0.0208 0.5377 0.4283 ( 7019 PWs) bands (ev): -6.4153 -6.4150 -6.2099 -6.2098 -5.8056 -5.7972 -5.7432 -5.7335 -3.1765 -3.1751 -3.0458 -3.0351 -1.7287 -1.7153 -1.5208 -1.5086 -1.4387 -1.4310 -0.5632 -0.5492 0.2416 0.2523 1.1033 1.1170 1.5525 1.5626 1.9406 1.9500 2.4819 2.4957 2.7155 2.7637 3.0910 3.1185 3.5230 3.5558 3.9056 3.9274 4.0979 4.1297 4.5865 4.6006 7.8295 7.8569 8.1212 8.1365 8.2129 8.2629 9.0119 9.0238 k = 0.0000 0.5318 0.4355 ( 7010 PWs) bands (ev): -6.4158 -6.4158 -6.2101 -6.2101 -5.7975 -5.7975 -5.7411 -5.7411 -3.1758 -3.1758 -3.0402 -3.0402 -1.7219 -1.7219 -1.5144 -1.5144 -1.4348 -1.4348 -0.5578 -0.5578 0.2468 0.2468 1.1118 1.1118 1.5551 1.5551 1.9432 1.9432 2.4892 2.4892 2.7422 2.7422 3.1045 3.1045 3.5403 3.5403 3.9165 3.9165 4.1153 4.1153 4.5893 4.5893 7.8496 7.8496 8.1305 8.1305 8.2400 8.2400 9.0247 9.0247 k = 0.0000 0.5318 0.4355 ( 7010 PWs) bands (ev): -6.4158 -6.4158 -6.2101 -6.2101 -5.7975 -5.7975 -5.7411 -5.7411 -3.1758 -3.1758 -3.0402 -3.0402 -1.7219 -1.7219 -1.5144 -1.5144 -1.4348 -1.4348 -0.5578 -0.5578 0.2468 0.2468 1.1118 1.1118 1.5551 1.5551 1.9432 1.9432 2.4892 2.4892 2.7422 2.7422 3.1045 3.1045 3.5403 3.5403 3.9165 3.9165 4.1153 4.1153 4.5893 4.5893 7.8496 7.8496 8.1305 8.1305 8.2400 8.2400 9.0247 9.0247 k = 0.0093 0.5186 0.4516 ( 7018 PWs) bands (ev): -6.4154 -6.4152 -6.2099 -6.2095 -5.7985 -5.7976 -5.7421 -5.7406 -3.1776 -3.1737 -3.0420 -3.0385 -1.7254 -1.7179 -1.5171 -1.5114 -1.4368 -1.4326 -0.5624 -0.5550 0.2396 0.2466 1.1010 1.1117 1.5444 1.5707 1.9346 1.9572 2.4779 2.5026 2.7418 2.7497 3.0945 3.1136 3.5238 3.5625 3.9076 3.9288 4.1079 4.1253 4.5875 4.5904 7.8410 7.8519 8.1257 8.1334 8.2278 8.2483 9.0124 9.0351 k = 0.0185 0.5054 0.4677 ( 7020 PWs) bands (ev): -6.4140 -6.4135 -6.2091 -6.2083 -5.8004 -5.7986 -5.7435 -5.7407 -3.1790 -3.1713 -3.0438 -3.0367 -1.7282 -1.7132 -1.5196 -1.5082 -1.4386 -1.4304 -0.5687 -0.5541 0.2255 0.2391 1.0803 1.1001 1.5394 1.5896 1.9318 1.9764 2.4687 2.5179 2.7488 2.7638 3.0853 3.1209 3.5141 3.5890 3.9018 3.9444 4.1030 4.1378 4.5850 4.5910 7.8261 7.8478 8.1190 8.1341 8.2127 8.2527 8.9987 9.0428 k = 0.0278 0.4922 0.4839 ( 7022 PWs) bands (ev): -6.4116 -6.4108 -6.2076 -6.2064 -5.8033 -5.8006 -5.7455 -5.7413 -3.1801 -3.1686 -3.0456 -3.0351 -1.7304 -1.7081 -1.5217 -1.5051 -1.4402 -1.4281 -0.5764 -0.5549 0.2050 0.2247 1.0510 1.0775 1.5399 1.6101 1.9349 2.0000 2.4620 2.5349 2.7629 2.7836 3.0790 3.1263 3.5112 3.6181 3.8990 3.9631 4.1013 4.1528 4.5820 4.5910 7.8056 7.8375 8.1101 8.1319 8.1961 8.2534 8.9839 9.0471 k = 0.0370 0.4790 0.5000 ( 7016 PWs) bands (ev): -6.4082 -6.4070 -6.2055 -6.2039 -5.8072 -5.8036 -5.7479 -5.7423 -3.1808 -3.1658 -3.0474 -3.0335 -1.7319 -1.7025 -1.5234 -1.5020 -1.4414 -1.4258 -0.5855 -0.5574 0.1788 0.2039 1.0142 1.0450 1.5448 1.6306 1.9437 2.0275 2.4577 2.5531 2.7837 2.8083 3.0774 3.1307 3.5140 3.6480 3.8989 3.9838 4.1035 4.1707 4.5787 4.5908 7.7800 7.8216 8.0986 8.1250 8.1807 8.2509 8.9681 9.0471 k = 0.0463 0.4658 0.5161 ( 7002 PWs) bands (ev): -6.4037 -6.4023 -6.2027 -6.2007 -5.8120 -5.8076 -5.7507 -5.7440 -3.1811 -3.1628 -3.0491 -3.0321 -1.7327 -1.6965 -1.5247 -1.4992 -1.4422 -1.4236 -0.5955 -0.5612 0.1479 0.1775 0.9712 1.0043 1.5523 1.6496 1.9583 2.0581 2.4563 2.5721 2.8103 2.8368 3.0820 3.1359 3.5210 3.6775 3.9008 4.0049 4.1115 4.1914 4.5752 4.5906 7.7502 7.8010 8.0835 8.1116 8.1691 8.2461 8.9512 9.0421 k = 0.0556 0.4526 0.5322 ( 7002 PWs) bands (ev): -6.3983 -6.3966 -6.1993 -6.1970 -5.8177 -5.8125 -5.7540 -5.7461 -3.1809 -3.1596 -3.0508 -3.0308 -1.7328 -1.6901 -1.5255 -1.4969 -1.4424 -1.4214 -0.6061 -0.5662 0.1132 0.1464 0.9229 0.9571 1.5607 1.6658 1.9783 2.0912 2.4581 2.5915 2.8418 2.8687 3.0937 3.1436 3.5305 3.7055 3.9045 4.0233 4.1276 4.2149 4.5719 4.5909 7.7172 7.7764 8.0639 8.0922 8.1616 8.2399 8.9332 9.0313 k = 0.0648 0.4394 0.5484 ( 7006 PWs) bands (ev): -6.3919 -6.3899 -6.1953 -6.1926 -5.8244 -5.8184 -5.7577 -5.7487 -3.1804 -3.1563 -3.0524 -3.0296 -1.7322 -1.6834 -1.5258 -1.4951 -1.4421 -1.4193 -0.6169 -0.5721 0.0756 0.1116 0.8703 0.9047 1.5682 1.6780 2.0035 2.1262 2.4635 2.6108 2.8770 2.9038 3.1126 3.1553 3.5411 3.7319 3.9093 4.0370 4.1529 4.2411 4.5693 4.5922 7.6817 7.7490 8.0393 8.0690 8.1559 8.2327 8.9144 9.0149 k = 0.0741 0.4262 0.5645 ( 7002 PWs) bands (ev): -6.3846 -6.3823 -6.1908 -6.1877 -5.8319 -5.8253 -5.7619 -5.7518 -3.1794 -3.1530 -3.0540 -3.0287 -1.7310 -1.6765 -1.5257 -1.4940 -1.4412 -1.4174 -0.6275 -0.5784 0.0359 0.0740 0.8142 0.8485 1.5736 1.6855 2.0335 2.1628 2.4724 2.6297 2.9147 2.9429 3.1376 3.1721 3.5517 3.7565 3.9146 4.0462 4.1860 4.2694 4.5681 4.5953 7.6448 7.7196 8.0104 8.0428 8.1504 8.2249 8.8954 8.9935 k = 0.0833 0.4130 0.5806 ( 7000 PWs) bands (ev): -6.3763 -6.3737 -6.1857 -6.1822 -5.8404 -5.8331 -5.7663 -5.7553 -3.1780 -3.1496 -3.0555 -3.0279 -1.7291 -1.6693 -1.5251 -1.4936 -1.4397 -1.4157 -0.6376 -0.5849 -0.0049 0.0344 0.7554 0.7893 1.5759 1.6877 2.0679 2.2009 2.4850 2.6481 2.9538 2.9867 3.1662 3.1948 3.5620 3.7799 3.9201 4.0521 4.2236 4.2993 4.5688 4.6008 7.6071 7.6890 7.9779 8.0135 8.1438 8.2160 8.8770 8.9690 k = 0.0926 0.3998 0.5968 ( 6998 PWs) bands (ev): -6.3672 -6.3643 -6.1801 -6.1763 -5.8496 -5.8418 -5.7712 -5.7593 -3.1762 -3.1462 -3.0569 -3.0274 -1.7266 -1.6620 -1.5240 -1.4940 -1.4378 -1.4142 -0.6467 -0.5911 -0.0463 -0.0063 0.6946 0.7281 1.5748 1.6844 2.1061 2.2405 2.5008 2.6662 2.9937 3.0350 3.1955 3.2245 3.5717 3.8025 3.9253 4.0556 4.2629 4.3301 4.5722 4.6097 7.5693 7.6579 7.9428 7.9811 8.1356 8.2055 8.8602 8.9438 k = 0.1019 0.3866 0.6129 ( 7012 PWs) bands (ev): -6.3572 -6.3539 -6.1740 -6.1699 -5.8597 -5.8514 -5.7764 -5.7637 -3.1740 -3.1428 -3.0583 -3.0272 -1.7235 -1.6546 -1.5225 -1.4949 -1.4356 -1.4129 -0.6544 -0.5966 -0.0876 -0.0475 0.6323 0.6655 1.5702 1.6760 2.1476 2.2815 2.5194 2.6841 3.0338 3.0870 3.2236 3.2604 3.5811 3.8249 3.9304 4.0568 4.3012 4.3614 4.5792 4.6228 7.5320 7.6268 7.9055 7.9457 8.1251 8.1925 8.8462 8.9205 k = 0.1111 0.3734 0.6290 ( 7020 PWs) bands (ev): -6.3464 -6.3428 -6.1675 -6.1632 -5.8705 -5.8618 -5.7819 -5.7686 -3.1715 -3.1395 -3.0597 -3.0272 -1.7199 -1.6471 -1.5207 -1.4962 -1.4335 -1.4119 -0.6605 -0.6012 -0.1281 -0.0884 0.5692 0.6021 1.5624 1.6630 2.1917 2.3238 2.5406 2.7022 3.0727 3.1416 3.2508 3.3001 3.5910 3.8470 3.9357 4.0559 4.3365 4.3927 4.5904 4.6404 7.4956 7.5960 7.8665 7.9076 8.1118 8.1763 8.8360 8.9013 k = 0.1204 0.3602 0.6451 ( 7024 PWs) bands (ev): -6.3349 -6.3309 -6.1607 -6.1561 -5.8820 -5.8731 -5.7877 -5.7737 -3.1687 -3.1361 -3.0610 -3.0276 -1.7158 -1.6395 -1.5187 -1.4978 -1.4316 -1.4113 -0.6646 -0.6045 -0.1675 -0.1286 0.5056 0.5385 1.5518 1.6463 2.2378 2.3669 2.5640 2.7210 3.1083 3.1971 3.2773 3.3419 3.6022 3.8678 3.9429 4.0531 4.3678 4.4232 4.6063 4.6622 7.4604 7.5656 7.8262 7.8673 8.0956 8.1564 8.8302 8.8882 k = 0.1296 0.3470 0.6613 ( 7026 PWs) bands (ev): -6.3226 -6.3182 -6.1537 -6.1489 -5.8942 -5.8850 -5.7937 -5.7792 -3.1657 -3.1327 -3.0622 -3.0282 -1.7114 -1.6319 -1.5169 -1.4991 -1.4301 -1.4109 -0.6665 -0.6063 -0.2053 -0.1674 0.4421 0.4750 1.5391 1.6269 2.2852 2.4100 2.5897 2.7410 3.1385 3.2506 3.3037 3.3848 3.6158 3.8851 3.9546 4.0490 4.3952 4.4522 4.6268 4.6875 7.4267 7.5357 7.7854 7.8253 8.0763 8.1324 8.8296 8.8821 k = 0.1389 0.3338 0.6774 ( 7026 PWs) bands (ev): -6.3096 -6.3049 -6.1464 -6.1415 -5.9070 -5.8977 -5.7999 -5.7849 -3.1625 -3.1293 -3.0634 -3.0292 -1.7068 -1.6241 -1.5158 -1.4995 -1.4293 -1.4108 -0.6661 -0.6064 -0.2409 -0.2044 0.3790 0.4121 1.5249 1.6055 2.3332 2.4524 2.6178 2.7625 3.1618 3.2939 3.3346 3.4280 3.6327 3.8972 3.9728 4.0455 4.4195 4.4786 4.6513 4.7151 7.3947 7.5063 7.7448 7.7823 8.0539 8.1047 8.8345 8.8834 k = 0.1481 0.3206 0.6935 ( 7024 PWs) bands (ev): -6.2960 -6.2909 -6.1390 -6.1340 -5.9203 -5.9110 -5.8063 -5.7908 -3.1593 -3.1259 -3.0645 -3.0305 -1.7020 -1.6162 -1.5161 -1.4985 -1.4294 -1.4110 -0.6633 -0.6047 -0.2739 -0.2390 0.3167 0.3501 1.5098 1.5831 2.3809 2.4929 2.6487 2.7859 3.1779 3.3179 3.3750 3.4702 3.6535 3.9055 3.9945 4.0462 4.4415 4.5024 4.6784 4.7434 7.3645 7.4771 7.7052 7.7391 8.0288 8.0738 8.8453 8.8918 k = 0.1574 0.3073 0.7097 ( 7022 PWs) bands (ev): -6.2818 -6.2763 -6.1317 -6.1266 -5.9341 -5.9248 -5.8127 -5.7969 -3.1560 -3.1223 -3.0656 -3.0322 -1.6973 -1.6082 -1.5178 -1.4960 -1.4305 -1.4114 -0.6582 -0.6013 -0.3040 -0.2707 0.2554 0.2893 1.4943 1.5603 2.4275 2.5306 2.6826 2.8117 3.1875 3.3292 3.4142 3.5090 3.6792 3.9134 4.0131 4.0579 4.4618 4.5237 4.7064 4.7712 7.3363 7.4481 7.6676 7.6966 8.0013 8.0405 8.8619 8.9065 k = 0.1667 0.2941 0.7258 ( 7036 PWs) bands (ev): -6.2671 -6.2612 -6.1244 -6.1195 -5.9483 -5.9391 -5.8191 -5.8030 -3.1528 -3.1187 -3.0666 -3.0341 -1.6926 -1.6000 -1.5202 -1.4924 -1.4325 -1.4122 -0.6510 -0.5964 -0.3307 -0.2991 0.1957 0.2301 1.4791 1.5379 2.4722 2.5650 2.7195 2.8403 3.1917 3.3333 3.4432 3.5405 3.7110 3.9226 4.0275 4.0824 4.4804 4.5426 4.7338 4.7973 7.3102 7.4192 7.6328 7.6558 7.9720 8.0060 8.8839 8.9267 k = 0.1759 0.2809 0.7419 ( 7034 PWs) bands (ev): -6.2519 -6.2457 -6.1175 -6.1128 -5.9626 -5.9538 -5.8253 -5.8090 -3.1497 -3.1151 -3.0676 -3.0364 -1.6882 -1.5917 -1.5231 -1.4883 -1.4354 -1.4133 -0.6420 -0.5904 -0.3533 -0.3234 0.1377 0.1728 1.4645 1.5163 2.5140 2.5957 2.7589 2.8716 3.1915 3.3327 3.4590 3.5606 3.7497 3.9338 4.0459 4.1125 4.4974 4.5592 4.7595 4.8206 7.2863 7.3903 7.6010 7.6182 7.9416 7.9715 8.9108 8.9514 k = 0.1852 0.2677 0.7580 ( 7028 PWs) bands (ev): -6.2364 -6.2297 -6.1112 -6.1067 -5.9770 -5.9686 -5.8313 -5.8149 -3.1469 -3.1113 -3.0684 -3.0391 -1.6841 -1.5832 -1.5260 -1.4838 -1.4392 -1.4148 -0.6317 -0.5839 -0.3713 -0.3429 0.0820 0.1177 1.4511 1.4960 2.5522 2.6228 2.8002 2.9057 3.1879 3.3290 3.4615 3.5678 3.7937 3.9472 4.0718 4.1436 4.5126 4.5735 4.7828 4.8406 7.2649 7.3618 7.5718 7.5854 7.9110 7.9380 8.9415 8.9794 k = 0.1944 0.2545 0.7742 ( 7032 PWs) bands (ev): -6.2206 -6.2135 -6.1057 -6.1016 -5.9911 -5.9834 -5.8370 -5.8204 -3.1444 -3.1074 -3.0690 -3.0419 -1.6804 -1.5746 -1.5289 -1.4791 -1.4437 -1.4168 -0.6209 -0.5778 -0.3842 -0.3569 0.0290 0.0653 1.4391 1.4773 2.5861 2.6464 2.8427 2.9417 3.1817 3.3236 3.4530 3.5631 3.8395 3.9629 4.1038 4.1734 4.5261 4.5850 4.8031 4.8567 7.2463 7.3340 7.5446 7.5591 7.8813 7.9065 8.9746 9.0095 k = 0.2037 0.2413 0.7903 ( 7030 PWs) bands (ev): -6.2046 -6.1972 -6.1016 -6.0977 -6.0045 -5.9978 -5.8421 -5.8255 -3.1422 -3.1037 -3.0694 -3.0450 -1.6772 -1.5662 -1.5315 -1.4746 -1.4485 -1.4191 -0.6105 -0.5730 -0.3912 -0.3647 -0.0206 0.0161 1.4289 1.4606 2.6154 2.6664 2.8857 2.9785 3.1732 3.3177 3.4367 3.5492 3.8830 3.9806 4.1388 4.2006 4.5379 4.5937 4.8202 4.8689 7.2307 7.3076 7.5203 7.5387 7.8538 7.8777 9.0085 9.0399 k = 0.2130 0.2281 0.8064 ( 7026 PWs) bands (ev): -6.1886 -6.1808 -6.0997 -6.0956 -6.0166 -6.0113 -5.8466 -5.8300 -3.1404 -3.1001 -3.0695 -3.0483 -1.6745 -1.5580 -1.5338 -1.4705 -1.4534 -1.4217 -0.6014 -0.5700 -0.3921 -0.3665 -0.0659 -0.0292 1.4207 1.4462 2.6399 2.6828 2.9286 3.0144 3.1628 3.3122 3.4162 3.5291 3.9208 3.9998 4.1732 4.2240 4.5483 4.5991 4.8343 4.8773 7.2186 7.2834 7.5003 7.5230 7.8296 7.8525 9.0411 9.0686 k = 0.2222 0.2149 0.8226 ( 7026 PWs) bands (ev): -6.1727 -6.1646 -6.1010 -6.0959 -6.0266 -6.0231 -5.8503 -5.8338 -3.1389 -3.0969 -3.0693 -3.0516 -1.6724 -1.5505 -1.5357 -1.4679 -1.4570 -1.4245 -0.5943 -0.5688 -0.3871 -0.3634 -0.1054 -0.0694 1.4148 1.4341 2.6596 2.6952 2.9703 3.0470 3.1504 3.3076 3.3952 3.5061 3.9502 4.0193 4.2041 4.2425 4.5574 4.6013 4.8453 4.8824 7.2102 7.2621 7.4850 7.5111 7.8099 7.8315 9.0698 9.0924 k = 0.2315 0.2017 0.8387 ( 7030 PWs) bands (ev): -6.1572 -6.1489 -6.1061 -6.0995 -6.0337 -6.0319 -5.8531 -5.8366 -3.1379 -3.0944 -3.0686 -3.0546 -1.6709 -1.5443 -1.5371 -1.4685 -1.4573 -1.4271 -0.5893 -0.5690 -0.3778 -0.3584 -0.1368 -0.1027 1.4111 1.4247 2.6743 2.7037 3.0093 3.0730 3.1362 3.3038 3.3779 3.4840 3.9703 4.0368 4.2292 4.2554 4.5656 4.6007 4.8534 4.8849 7.2056 7.2447 7.4745 7.5028 7.7954 7.8156 9.0921 9.1085 k = 0.2407 0.1885 0.8548 ( 7030 PWs) bands (ev): -6.1425 -6.1346 -6.1145 -6.1067 -6.0377 -6.0371 -5.8548 -5.8383 -3.1373 -3.0928 -3.0677 -3.0571 -1.6700 -1.5401 -1.5378 -1.4706 -1.4558 -1.4291 -0.5863 -0.5698 -0.3668 -0.3554 -0.1573 -0.1257 1.4097 1.4181 2.6835 2.7085 3.0434 3.0864 3.1229 3.3004 3.3676 3.4672 3.9817 4.0491 4.2464 4.2619 4.5722 4.5983 4.8586 4.8857 7.2042 7.2326 7.4684 7.4978 7.7867 7.8057 9.1066 9.1162 k = 0.2500 0.1753 0.8709 ( 7032 PWs) bands (ev): -6.1315 -6.1288 -6.1198 -6.1138 -6.0392 -6.0386 -5.8554 -5.8389 -3.1371 -3.0922 -3.0672 -3.0582 -1.6697 -1.5388 -1.5378 -1.4716 -1.4550 -1.4299 -0.5854 -0.5701 -0.3591 -0.3573 -0.1644 -0.1343 1.4097 1.4155 2.6867 2.7100 3.0633 3.0831 3.1184 3.2989 3.3645 3.4608 3.9853 4.0534 4.2533 4.2631 4.5751 4.5967 4.8604 4.8858 7.2043 7.2279 7.4664 7.4961 7.7838 7.8023 9.1120 9.1179 k = 0.2500 0.1753 0.8709 ( 7032 PWs) bands (ev): -6.1315 -6.1288 -6.1198 -6.1138 -6.0392 -6.0386 -5.8554 -5.8389 -3.1371 -3.0922 -3.0672 -3.0582 -1.6697 -1.5388 -1.5378 -1.4716 -1.4550 -1.4299 -0.5854 -0.5701 -0.3591 -0.3573 -0.1644 -0.1343 1.4097 1.4155 2.6867 2.7100 3.0633 3.0831 3.1184 3.2989 3.3645 3.4608 3.9853 4.0534 4.2533 4.2631 4.5751 4.5967 4.8604 4.8858 7.2043 7.2279 7.4664 7.4961 7.7838 7.8023 9.1120 9.1179 k = 0.2656 0.1862 0.8576 ( 7026 PWs) bands (ev): -6.1364 -6.1299 -6.1182 -6.1109 -6.0386 -6.0381 -5.8551 -5.8388 -3.1371 -3.0925 -3.0673 -3.0578 -1.6695 -1.5425 -1.5347 -1.4717 -1.4548 -1.4295 -0.5900 -0.5742 -0.3564 -0.3518 -0.1625 -0.1321 1.4119 1.4185 2.6779 2.7019 3.0422 3.0800 3.1368 3.2846 3.3854 3.4677 3.9850 4.0519 4.2527 4.2646 4.5749 4.5981 4.8605 4.8864 7.1890 7.2108 7.4832 7.5096 7.7819 7.8006 9.1123 9.1198 k = 0.2812 0.1972 0.8442 ( 7025 PWs) bands (ev): -6.1427 -6.1354 -6.1140 -6.1071 -6.0374 -6.0368 -5.8545 -5.8384 -3.1370 -3.0933 -3.0679 -3.0569 -1.6690 -1.5471 -1.5322 -1.4718 -1.4543 -1.4283 -0.6031 -0.5842 -0.3445 -0.3398 -0.1574 -0.1270 1.4189 1.4271 2.6539 2.6797 3.0064 3.0665 3.1635 3.2658 3.4236 3.4894 3.9841 4.0479 4.2519 4.2682 4.5746 4.6017 4.8609 4.8878 7.1481 7.1673 7.5247 7.5465 7.7771 7.7959 9.1135 9.1247 k = 0.2969 0.2082 0.8308 ( 7023 PWs) bands (ev): -6.1487 -6.1414 -6.1102 -6.1042 -6.0360 -6.0351 -5.8536 -5.8379 -3.1368 -3.0947 -3.0689 -3.0555 -1.6684 -1.5520 -1.5309 -1.4717 -1.4537 -1.4264 -0.6211 -0.5970 -0.3266 -0.3220 -0.1500 -0.1201 1.4309 1.4404 2.6184 2.6473 2.9654 3.0392 3.1873 3.2595 3.4614 3.5225 3.9827 4.0423 4.2518 4.2737 4.5750 4.6066 4.8620 4.8899 7.0926 7.1103 7.5753 7.5985 7.7706 7.7899 9.1158 9.1314 k = 0.3125 0.2191 0.8174 ( 7023 PWs) bands (ev): -6.1541 -6.1470 -6.1071 -6.1020 -6.0345 -6.0334 -5.8525 -5.8373 -3.1365 -3.0964 -3.0702 -3.0539 -1.6678 -1.5572 -1.5309 -1.4715 -1.4532 -1.4239 -0.6399 -0.6103 -0.3061 -0.2999 -0.1410 -0.1117 1.4476 1.4580 2.5760 2.6086 2.9197 2.9985 3.2103 3.2654 3.4951 3.5590 3.9806 4.0364 4.2526 4.2809 4.5763 4.6122 4.8639 4.8923 7.0311 7.0475 7.6250 7.6558 7.7666 7.7865 9.1187 9.1388 k = 0.3281 0.2301 0.8040 ( 7015 PWs) bands (ev): -6.1587 -6.1519 -6.1045 -6.1005 -6.0334 -6.0321 -5.8512 -5.8368 -3.1363 -3.0985 -3.0719 -3.0521 -1.6673 -1.5629 -1.5319 -1.4714 -1.4526 -1.4212 -0.6566 -0.6217 -0.2848 -0.2758 -0.1311 -0.1019 1.4687 1.4795 2.5303 2.5667 2.8700 2.9495 3.2338 3.2786 3.5228 3.5916 3.9773 4.0309 4.2542 4.2898 4.5785 4.6179 4.8669 4.8951 6.9687 6.9832 7.6636 7.6993 7.7792 7.7957 9.1210 9.1455 k = 0.3438 0.2410 0.7907 ( 7013 PWs) bands (ev): -6.1624 -6.1560 -6.1024 -6.0992 -6.0329 -6.0316 -5.8500 -5.8364 -3.1359 -3.1008 -3.0740 -3.0504 -1.6672 -1.5689 -1.5338 -1.4715 -1.4520 -1.4187 -0.6693 -0.6296 -0.2637 -0.2517 -0.1206 -0.0904 1.4936 1.5042 2.4840 2.5240 2.8173 2.8966 3.2568 3.2960 3.5426 3.6164 3.9725 4.0265 4.2565 4.3000 4.5811 4.6237 4.8708 4.8981 6.9090 6.9210 7.6799 7.7079 7.8207 7.8363 9.1212 9.1504 k = 0.3594 0.2520 0.7773 ( 7021 PWs) bands (ev): -6.1652 -6.1592 -6.1006 -6.0982 -6.0330 -6.0318 -5.8489 -5.8362 -3.1356 -3.1032 -3.0765 -3.0487 -1.6675 -1.5752 -1.5361 -1.4721 -1.4513 -1.4167 -0.6769 -0.6328 -0.2436 -0.2286 -0.1099 -0.0771 1.5216 1.5315 2.4393 2.4825 2.7627 2.8428 3.2783 3.3154 3.5533 3.6317 3.9662 4.0228 4.2588 4.3108 4.5832 4.6291 4.8752 4.9010 6.8543 6.8642 7.6788 7.7002 7.8723 7.9029 9.1180 9.1525 k = 0.3750 0.2629 0.7639 ( 7023 PWs) bands (ev): -6.1671 -6.1615 -6.0992 -6.0973 -6.0339 -6.0328 -5.8480 -5.8361 -3.1354 -3.1058 -3.0794 -3.0473 -1.6686 -1.5819 -1.5386 -1.4733 -1.4507 -1.4154 -0.6787 -0.6308 -0.2252 -0.2072 -0.0993 -0.0620 1.5520 1.5608 2.3976 2.4435 2.7077 2.7901 3.2976 3.3352 3.5547 3.6378 3.9587 4.0194 4.2604 4.3213 4.5839 4.6343 4.8790 4.9035 6.8062 6.8162 7.6711 7.6891 7.9304 7.9757 9.1107 9.1512 k = 0.3906 0.2739 0.7505 ( 7021 PWs) bands (ev): -6.1680 -6.1628 -6.0983 -6.0969 -6.0354 -6.0345 -5.8472 -5.8361 -3.1352 -3.1084 -3.0825 -3.0460 -1.6706 -1.5888 -1.5410 -1.4749 -1.4502 -1.4150 -0.6744 -0.6230 -0.2087 -0.1877 -0.0891 -0.0458 1.5836 1.5913 2.3603 2.4083 2.6534 2.7401 3.3144 3.3535 3.5473 3.6360 3.9501 4.0155 4.2605 4.3307 4.5821 4.6388 4.8807 4.9049 6.7662 6.7799 7.6624 7.6781 7.9906 8.0504 9.0992 9.1461 k = 0.4062 0.2848 0.7371 ( 7020 PWs) bands (ev): -6.1678 -6.1630 -6.0983 -6.0970 -6.0373 -6.0367 -5.8466 -5.8362 -3.1351 -3.1111 -3.0858 -3.0450 -1.6737 -1.5958 -1.5432 -1.4771 -1.4499 -1.4153 -0.6641 -0.6096 -0.1940 -0.1700 -0.0795 -0.0292 1.6149 1.6227 2.3283 2.3775 2.6012 2.6940 3.3282 3.3684 3.5321 3.6284 3.9404 4.0106 4.2588 4.3382 4.5774 4.6424 4.8786 4.9044 6.7366 6.7565 7.6550 7.6689 8.0508 8.1256 9.0839 9.1370 k = 0.4219 0.2958 0.7238 ( 7012 PWs) bands (ev): -6.1665 -6.1621 -6.0997 -6.0982 -6.0393 -6.0387 -5.8460 -5.8362 -3.1353 -3.1137 -3.0891 -3.0442 -1.6777 -1.6027 -1.5451 -1.4796 -1.4499 -1.4163 -0.6481 -0.5908 -0.1809 -0.1534 -0.0711 -0.0128 1.6442 1.6543 2.3025 2.3518 2.5523 2.6534 3.3388 3.3779 3.5100 3.6174 3.9297 4.0045 4.2548 4.3435 4.5695 4.6446 4.8714 4.9009 6.7190 6.7461 7.6502 7.6625 8.1094 8.2001 9.0650 9.1239 k = 0.4375 0.3068 0.7104 ( 7018 PWs) bands (ev): -6.1643 -6.1602 -6.1032 -6.1011 -6.0409 -6.0400 -5.8456 -5.8361 -3.1359 -3.1163 -3.0923 -3.0436 -1.6828 -1.6095 -1.5465 -1.4824 -1.4499 -1.4179 -0.6269 -0.5673 -0.1689 -0.1374 -0.0644 0.0026 1.6704 1.6848 2.2834 2.3312 2.5083 2.6195 3.3457 3.3803 3.4822 3.6052 3.9180 3.9969 4.2484 4.3463 4.5587 4.6451 4.8587 4.8937 6.7140 6.7483 7.6492 7.6599 8.1651 8.2730 9.0427 9.1064 k = 0.4531 0.3177 0.6970 ( 7020 PWs) bands (ev): -6.1610 -6.1574 -6.1093 -6.1063 -6.0414 -6.0399 -5.8450 -5.8357 -3.1369 -3.1189 -3.0951 -3.0433 -1.6887 -1.6162 -1.5474 -1.4854 -1.4501 -1.4198 -0.6014 -0.5399 -0.1577 -0.1211 -0.0597 0.0169 1.6926 1.7122 2.2711 2.3160 2.4706 2.5937 3.3481 3.3740 3.4500 3.5936 3.9054 3.9879 4.2396 4.3466 4.5452 4.6437 4.8409 4.8829 6.7209 6.7620 7.6527 7.6619 8.2165 8.3429 9.0169 9.0841 k = 0.4688 0.3287 0.6836 ( 7018 PWs) bands (ev): -6.1569 -6.1537 -6.1181 -6.1141 -6.0403 -6.0382 -5.8443 -5.8350 -3.1384 -3.1214 -3.0974 -3.0432 -1.6952 -1.6227 -1.5479 -1.4884 -1.4502 -1.4221 -0.5728 -0.5100 -0.1470 -0.1037 -0.0571 0.0300 1.7101 1.7351 2.2650 2.3062 2.4411 2.5771 3.3448 3.3590 3.4148 3.5829 3.8921 3.9776 4.2283 4.3440 4.5292 4.6401 4.8198 4.8694 6.7379 6.7849 7.6614 7.6694 8.2618 8.4081 8.9875 9.0563 k = 0.4844 0.3396 0.6702 ( 7020 PWs) bands (ev): -6.1530 -6.1498 -6.1292 -6.1234 -6.0377 -6.0349 -5.8434 -5.8340 -3.1405 -3.1238 -3.0990 -3.0432 -1.7020 -1.6289 -1.5480 -1.4915 -1.4503 -1.4244 -0.5422 -0.4789 -0.1368 -0.0860 -0.0551 0.0427 1.7223 1.7518 2.2636 2.3021 2.4214 2.5704 3.3316 3.3373 3.3801 3.5722 3.8783 3.9663 4.2144 4.3382 4.5111 4.6336 4.7981 4.8550 6.7628 6.8144 7.6755 7.6829 8.2987 8.4655 8.9539 9.0215 k = 0.5000 0.3506 0.6569 ( 7016 PWs) bands (ev): -6.1542 -6.1497 -6.1377 -6.1295 -6.0338 -6.0304 -5.8421 -5.8326 -3.1430 -3.1261 -3.0999 -3.0433 -1.7089 -1.6350 -1.5477 -1.4945 -1.4503 -1.4267 -0.5114 -0.4485 -0.1271 -0.0752 -0.0447 0.0560 1.7292 1.7616 2.2649 2.3039 2.4129 2.5736 3.3031 3.3092 3.3532 3.5598 3.8640 3.9543 4.1978 4.3283 4.4917 4.6234 4.7793 4.8415 6.7927 6.8476 7.6949 7.7028 8.3241 8.5098 8.9149 8.9767 k = 0.5000 0.3506 0.6569 ( 7016 PWs) bands (ev): -6.1542 -6.1497 -6.1377 -6.1295 -6.0338 -6.0304 -5.8421 -5.8326 -3.1430 -3.1261 -3.0999 -3.0433 -1.7089 -1.6350 -1.5477 -1.4945 -1.4503 -1.4267 -0.5114 -0.4485 -0.1271 -0.0752 -0.0447 0.0560 1.7292 1.7616 2.2649 2.3039 2.4129 2.5736 3.3031 3.3092 3.3532 3.5598 3.8640 3.9543 4.1978 4.3283 4.4917 4.6234 4.7793 4.8415 6.7927 6.8476 7.6949 7.7028 8.3241 8.5098 8.9149 8.9767 k = 0.5000 0.3506 0.6334 ( 7018 PWs) bands (ev): -6.1674 -6.1637 -6.1404 -6.1325 -6.0247 -6.0204 -5.8393 -5.8296 -3.1478 -3.1301 -3.1010 -3.0437 -1.7205 -1.6454 -1.5469 -1.4992 -1.4503 -1.4307 -0.4579 -0.3996 -0.1101 -0.0662 -0.0100 0.0829 1.7375 1.7729 2.2688 2.3123 2.4085 2.5874 3.2408 3.2481 3.3165 3.5350 3.8394 3.9327 4.1669 4.3063 4.4568 4.6000 4.7520 4.8203 6.8499 6.9088 7.7330 7.7430 8.3449 8.5547 8.8376 8.8937 k = 0.5000 0.3506 0.6099 ( 7014 PWs) bands (ev): -6.1825 -6.1795 -6.1438 -6.1359 -6.0137 -6.0086 -5.8359 -5.8260 -3.1524 -3.1339 -3.1020 -3.0443 -1.7315 -1.6557 -1.5463 -1.5034 -1.4506 -1.4346 -0.4064 -0.3592 -0.0901 -0.0468 0.0264 0.1129 1.7466 1.7851 2.2732 2.3211 2.4041 2.6011 3.1730 3.1861 3.2823 3.5099 3.8158 3.9110 4.1369 4.2838 4.4209 4.5728 4.7275 4.8000 6.9099 6.9727 7.7691 7.7816 8.3401 8.5546 8.7577 8.8231 k = 0.5000 0.3506 0.5865 ( 7014 PWs) bands (ev): -6.1990 -6.1968 -6.1478 -6.1399 -6.0012 -5.9953 -5.8317 -5.8218 -3.1567 -3.1376 -3.1031 -3.0448 -1.7417 -1.6657 -1.5459 -1.5071 -1.4512 -1.4382 -0.3611 -0.3310 -0.0654 -0.0123 0.0640 0.1455 1.7568 1.7981 2.2781 2.3305 2.3997 2.6142 3.1037 3.1233 3.2504 3.4851 3.7930 3.8895 4.1083 4.2611 4.3847 4.5422 4.7059 4.7807 6.9722 7.0385 7.8017 7.8171 8.3092 8.5028 8.6809 8.7573 k = 0.5000 0.3506 0.5630 ( 7018 PWs) bands (ev): -6.2166 -6.2150 -6.1525 -6.1445 -5.9875 -5.9809 -5.8268 -5.8169 -3.1604 -3.1413 -3.1042 -3.0453 -1.7510 -1.6754 -1.5458 -1.5105 -1.4520 -1.4413 -0.3304 -0.3124 -0.0323 0.0378 0.1023 0.1800 1.7679 1.8120 2.2834 2.3402 2.3951 2.6262 3.0352 3.0608 3.2211 3.4613 3.7707 3.8686 4.0811 4.2379 4.3491 4.5093 4.6870 4.7625 7.0357 7.1054 7.8294 7.8474 8.2565 8.4173 8.6046 8.6825 k = 0.5000 0.3506 0.5396 ( 7014 PWs) bands (ev): -6.2350 -6.2340 -6.1578 -6.1497 -5.9726 -5.9654 -5.8212 -5.8114 -3.1636 -3.1449 -3.1055 -3.0458 -1.7594 -1.6845 -1.5460 -1.5138 -1.4530 -1.4440 -0.3240 -0.2946 0.0125 0.1001 0.1407 0.2159 1.7800 1.8269 2.2890 2.3503 2.3905 2.6365 2.9697 3.0001 3.1949 3.4390 3.7486 3.8483 4.0557 4.2141 4.3148 4.4752 4.6702 4.7453 7.0999 7.1725 7.8505 7.8701 8.1886 8.3181 8.5275 8.6008 k = 0.5000 0.3506 0.5161 ( 7016 PWs) bands (ev): -6.2540 -6.2535 -6.1637 -6.1557 -5.9568 -5.9491 -5.8149 -5.8052 -3.1661 -3.1482 -3.1067 -3.0460 -1.7667 -1.6930 -1.5466 -1.5170 -1.4540 -1.4459 -0.3319 -0.2849 0.0685 0.1701 0.1788 0.2530 1.7933 1.8429 2.2950 2.3605 2.3857 2.6437 2.9094 2.9423 3.1723 3.4182 3.7267 3.8288 4.0323 4.1893 4.2831 4.4410 4.6550 4.7290 7.1636 7.2389 7.8632 7.8821 8.1128 8.2151 8.4505 8.5170 k = 0.5000 0.3506 0.4926 ( 7016 PWs) bands (ev): -6.2735 -6.2732 -6.1701 -6.1622 -5.9403 -5.9321 -5.8079 -5.7984 -3.1682 -3.1512 -3.1080 -3.0461 -1.7729 -1.7008 -1.5476 -1.5202 -1.4552 -1.4472 -0.3477 -0.2848 0.1325 0.2160 0.2437 0.2920 1.8078 1.8602 2.3012 2.3701 2.3815 2.6453 2.8577 2.8891 3.1536 3.3993 3.7048 3.8100 4.0112 4.1629 4.2549 4.4075 4.6411 4.7136 7.2259 7.3035 7.8641 7.8794 8.0364 8.1138 8.3750 8.4338 k = 0.5000 0.3506 0.4692 ( 7012 PWs) bands (ev): -6.2934 -6.2928 -6.1770 -6.1693 -5.9232 -5.9146 -5.8003 -5.7909 -3.1698 -3.1536 -3.1093 -3.0460 -1.7781 -1.7079 -1.5494 -1.5230 -1.4564 -1.4479 -0.3694 -0.2926 0.2004 0.2518 0.3106 0.3413 1.8235 1.8790 2.3076 2.3720 2.3846 2.6379 2.8184 2.8425 3.1392 3.3821 3.6829 3.7920 3.9923 4.1351 4.2310 4.3756 4.6282 4.6990 7.2859 7.3652 7.8394 7.8653 7.9642 8.0230 8.3031 8.3529 k = 0.5000 0.3506 0.4457 ( 7004 PWs) bands (ev): -6.3133 -6.3124 -6.1843 -6.1768 -5.9056 -5.8966 -5.7922 -5.7830 -3.1714 -3.1550 -3.1107 -3.0457 -1.7822 -1.7141 -1.5520 -1.5253 -1.4577 -1.4481 -0.3957 -0.3067 0.2667 0.2863 0.3591 0.4129 1.8407 1.8995 2.3142 2.3662 2.3946 2.6187 2.7890 2.8099 3.1290 3.3666 3.6610 3.7745 3.9753 4.1064 4.2112 4.3462 4.6162 4.6852 7.3424 7.4226 7.7809 7.8420 7.8872 7.9590 8.2364 8.2759 k = 0.5000 0.3506 0.4223 ( 6998 PWs) bands (ev): -6.3330 -6.3318 -6.1919 -6.1846 -5.8877 -5.8785 -5.7835 -5.7746 -3.1731 -3.1551 -3.1120 -3.0452 -1.7853 -1.7194 -1.5556 -1.5268 -1.4590 -1.4477 -0.4258 -0.3259 0.3141 0.3286 0.4092 0.4912 1.8594 1.9218 2.3206 2.3586 2.4052 2.5905 2.7590 2.8011 3.1230 3.3528 3.6392 3.7574 3.9598 4.0783 4.1949 4.3199 4.6051 4.6721 7.3940 7.4739 7.7062 7.7819 7.8273 7.9127 8.1766 8.2041 k = 0.5000 0.3506 0.3988 ( 7006 PWs) bands (ev): -6.3524 -6.3510 -6.1998 -6.1928 -5.8695 -5.8603 -5.7745 -5.7658 -3.1749 -3.1540 -3.1135 -3.0445 -1.7872 -1.7236 -1.5603 -1.5276 -1.4604 -1.4471 -0.4591 -0.3495 0.3435 0.3708 0.4709 0.5696 1.8796 1.9461 2.3259 2.3501 2.4156 2.5594 2.7341 2.8066 3.1208 3.3406 3.6176 3.7406 3.9443 4.0521 4.1814 4.2977 4.5949 4.6598 7.4391 7.5156 7.6287 7.6948 7.7849 7.8659 8.1243 8.1386 k = 0.5000 0.3506 0.3753 ( 6994 PWs) bands (ev): -6.3714 -6.3697 -6.2077 -6.2011 -5.8514 -5.8421 -5.7653 -5.7568 -3.1768 -3.1516 -3.1149 -3.0437 -1.7882 -1.7269 -1.5658 -1.5277 -1.4619 -1.4462 -0.4951 -0.3768 0.3688 0.4017 0.5408 0.6465 1.9014 1.9724 2.3264 2.3444 2.4253 2.5301 2.7177 2.8200 3.1221 3.3301 3.5962 3.7239 3.9272 4.0296 4.1702 4.2802 4.5856 4.6483 7.4732 7.5271 7.5721 7.6109 7.7381 7.8144 8.0770 8.0814 k = 0.5000 0.3506 0.3519 ( 6990 PWs) bands (ev): -6.3897 -6.3880 -6.2157 -6.2094 -5.8333 -5.8241 -5.7558 -5.7476 -3.1786 -3.1481 -3.1165 -3.0428 -1.7882 -1.7289 -1.5720 -1.5271 -1.4635 -1.4451 -0.5332 -0.4074 0.3907 0.4252 0.6132 0.7208 1.9246 2.0004 2.3172 2.3461 2.4334 2.5057 2.7108 2.8391 3.1265 3.3212 3.5753 3.7072 3.9070 4.0115 4.1611 4.2681 4.5775 4.6377 7.4510 7.5072 7.5267 7.5859 7.6891 7.7601 8.0263 8.0378 k = 0.5000 0.3506 0.3284 ( 6982 PWs) bands (ev): -6.4074 -6.4056 -6.2236 -6.2177 -5.8155 -5.8066 -5.7463 -5.7384 -3.1801 -3.1438 -3.1180 -3.0418 -1.7872 -1.7297 -1.5787 -1.5261 -1.4652 -1.4440 -0.5729 -0.4407 0.4090 0.4436 0.6850 0.7917 1.9489 2.0298 2.3037 2.3504 2.4383 2.4885 2.7136 2.8630 3.1336 3.3140 3.5550 3.6904 3.8834 3.9969 4.1546 4.2613 4.5706 4.6281 7.3821 7.4405 7.5277 7.5800 7.6471 7.7072 7.9790 7.9905 k = 0.5000 0.3506 0.3050 ( 6982 PWs) bands (ev): -6.4243 -6.4224 -6.2314 -6.2259 -5.7981 -5.7895 -5.7367 -5.7292 -3.1812 -3.1390 -3.1195 -3.0407 -1.7854 -1.7292 -1.5858 -1.5248 -1.4670 -1.4429 -0.6135 -0.4763 0.4240 0.4577 0.7547 0.8586 1.9741 2.0600 2.2891 2.3543 2.4378 2.4808 2.7260 2.8914 3.1431 3.3086 3.5355 3.6735 3.8572 3.9838 4.1515 4.2591 4.5651 4.6197 7.3135 7.3679 7.5193 7.5498 7.6201 7.6619 7.9211 7.9388 k = 0.5000 0.3506 0.2815 ( 6974 PWs) bands (ev): -6.4403 -6.4384 -6.2389 -6.2339 -5.7812 -5.7732 -5.7273 -5.7200 -3.1819 -3.1341 -3.1205 -3.0396 -1.7829 -1.7273 -1.5931 -1.5232 -1.4690 -1.4420 -0.6544 -0.5136 0.4357 0.4680 0.8213 0.9210 1.9997 2.0901 2.2752 2.3571 2.4334 2.4810 2.7475 2.9242 3.1545 3.3051 3.5169 3.6564 3.8291 3.9702 4.1525 4.2605 4.5614 4.6125 7.2491 7.3004 7.4806 7.5147 7.5959 7.6268 7.8478 7.8939 k = 0.5000 0.3506 0.2581 ( 6990 PWs) bands (ev): -6.4553 -6.4535 -6.2461 -6.2415 -5.7650 -5.7578 -5.7181 -5.7111 -3.1822 -3.1307 -3.1196 -3.0386 -1.7796 -1.7238 -1.6006 -1.5214 -1.4712 -1.4414 -0.6948 -0.5522 0.4446 0.4750 0.8843 0.9785 2.0251 2.1190 2.2629 2.3581 2.4293 2.4845 2.7776 2.9612 3.1675 3.3037 3.4994 3.6393 3.8000 3.9549 4.1575 4.2645 4.5595 4.6069 7.1900 7.2387 7.4303 7.4734 7.5681 7.5956 7.7745 7.8416 k = 0.5000 0.3506 0.2346 ( 6988 PWs) bands (ev): -6.4693 -6.4675 -6.2529 -6.2487 -5.7497 -5.7433 -5.7093 -5.7025 -3.1820 -3.1305 -3.1154 -3.0377 -1.7757 -1.7189 -1.6081 -1.5194 -1.4736 -1.4412 -0.7340 -0.5914 0.4509 0.4792 0.9431 1.0308 2.0500 2.1457 2.2533 2.3574 2.4277 2.4885 2.8152 3.0019 3.1819 3.3047 3.4831 3.6220 3.7700 3.9373 4.1658 4.2698 4.5597 4.6029 7.1365 7.1830 7.3801 7.4286 7.5338 7.5636 7.7038 7.7820 k = 0.5000 0.3506 0.2111 ( 6996 PWs) bands (ev): -6.4821 -6.4804 -6.2593 -6.2555 -5.7354 -5.7301 -5.7007 -5.6942 -3.1813 -3.1321 -3.1091 -3.0370 -1.7712 -1.7126 -1.6154 -1.5175 -1.4763 -1.4416 -0.7712 -0.6307 0.4550 0.4811 0.9973 1.0777 2.0739 2.1684 2.2473 2.3553 2.4287 2.4920 2.8595 3.0456 3.1971 3.3082 3.4686 3.6046 3.7395 3.9176 4.1765 4.2755 4.5621 4.6006 7.0890 7.1335 7.3333 7.3853 7.4940 7.5290 7.6368 7.7201 k = 0.5000 0.3506 0.1877 ( 6998 PWs) bands (ev): -6.4938 -6.4922 -6.2651 -6.2618 -5.7223 -5.7182 -5.6927 -5.6863 -3.1802 -3.1344 -3.1021 -3.0366 -1.7662 -1.7052 -1.6223 -1.5159 -1.4791 -1.4427 -0.8055 -0.6696 0.4575 0.4811 1.0467 1.1192 2.0965 2.1854 2.2465 2.3524 2.4316 2.4944 2.9093 3.0912 3.2129 3.3145 3.4561 3.5871 3.7082 3.8957 4.1885 4.2807 4.5667 4.6002 7.0477 7.0902 7.2912 7.3459 7.4520 7.4915 7.5742 7.6586 k = 0.5000 0.3506 0.1642 ( 7004 PWs) bands (ev): -6.5041 -6.5027 -6.2703 -6.2674 -5.7106 -5.7077 -5.6851 -5.6789 -3.1787 -3.1370 -3.0949 -3.0365 -1.7606 -1.6973 -1.6281 -1.5148 -1.4818 -1.4447 -0.8361 -0.7074 0.4586 0.4796 1.0910 1.1551 2.1173 2.1953 2.2520 2.3490 2.4360 2.4957 2.9632 3.1369 3.2289 3.3233 3.4466 3.5695 3.6763 3.8717 4.2009 4.2846 4.5731 4.6016 7.0127 7.0529 7.2548 7.3120 7.4099 7.4524 7.5165 7.5985 k = 0.5000 0.3506 0.1408 ( 7008 PWs) bands (ev): -6.5132 -6.5120 -6.2750 -6.2725 -5.7004 -5.6986 -5.6781 -5.6721 -3.1768 -3.1399 -3.0876 -3.0368 -1.7546 -1.6902 -1.6317 -1.5149 -1.4842 -1.4476 -0.8621 -0.7436 0.4589 0.4771 1.1302 1.1856 2.1361 2.1995 2.2617 2.3452 2.4412 2.4957 3.0199 3.1799 3.2454 3.3338 3.4418 3.5518 3.6438 3.8455 4.2131 4.2870 4.5810 4.6044 6.9839 7.0214 7.2246 7.2845 7.3695 7.4133 7.4642 7.5407 k = 0.5000 0.3506 0.1173 ( 7010 PWs) bands (ev): -6.5210 -6.5199 -6.2789 -6.2769 -5.6919 -5.6910 -5.6716 -5.6661 -3.1745 -3.1430 -3.0805 -3.0377 -1.7482 -1.6859 -1.6310 -1.5173 -1.4855 -1.4513 -0.8829 -0.7777 0.4587 0.4741 1.1641 1.2105 2.1527 2.2012 2.2727 2.3411 2.4469 2.4947 3.0778 3.2163 3.2636 3.3442 3.4436 3.5346 3.6111 3.8171 4.2247 4.2877 4.5896 4.6082 6.9614 6.9953 7.2012 7.2638 7.3318 7.3762 7.4177 7.4858 k = 0.5000 0.3506 0.0938 ( 7002 PWs) bands (ev): -6.5273 -6.5265 -6.2822 -6.2805 -5.6852 -5.6848 -5.6659 -5.6610 -3.1719 -3.1462 -3.0737 -3.0391 -1.7413 -1.6860 -1.6248 -1.5225 -1.4854 -1.4557 -0.8978 -0.8090 0.4584 0.4708 1.1927 1.2300 2.1670 2.2019 2.2832 2.3368 2.4530 2.4926 3.1355 3.2424 3.2837 3.3531 3.4513 3.5192 3.5803 3.7862 4.2353 4.2867 4.5982 4.6124 6.9448 6.9743 7.1849 7.2501 7.2975 7.3433 7.3773 7.4346 k = 0.5000 0.3506 0.0704 ( 6994 PWs) bands (ev): -6.5323 -6.5316 -6.2847 -6.2834 -5.6803 -5.6799 -5.6609 -5.6570 -3.1691 -3.1495 -3.0672 -3.0411 -1.7340 -1.6899 -1.6138 -1.5308 -1.4838 -1.4604 -0.9066 -0.8370 0.4582 0.4676 1.2160 1.2441 2.1786 2.2022 2.2925 2.3320 2.4591 2.4896 3.1913 3.2601 3.3007 3.3627 3.4546 3.5064 3.5609 3.7528 4.2451 4.2841 4.6062 4.6164 6.9339 6.9576 7.1758 7.2421 7.2687 7.3168 7.3436 7.3879 k = 0.5000 0.3506 0.0469 ( 6990 PWs) bands (ev): -6.5358 -6.5354 -6.2864 -6.2856 -5.6768 -5.6765 -5.6570 -5.6542 -3.1661 -3.1529 -3.0613 -3.0438 -1.7264 -1.6960 -1.6000 -1.5419 -1.4812 -1.4652 -0.9091 -0.8612 0.4584 0.4646 1.2340 1.2527 2.1877 2.2020 2.3008 2.3269 2.4651 2.4858 3.2418 3.2737 3.3104 3.3750 3.4433 3.4865 3.5713 3.7170 4.2539 4.2802 4.6128 4.6193 6.9281 6.9448 7.1739 7.2290 7.2568 7.2982 7.3172 7.3469 k = 0.5000 0.3506 0.0235 ( 6976 PWs) bands (ev): -6.5379 -6.5377 -6.2874 -6.2870 -5.6747 -5.6745 -5.6543 -5.6528 -3.1629 -3.1563 -3.0559 -3.0472 -1.7187 -1.7031 -1.5849 -1.5550 -1.4779 -1.4698 -0.9055 -0.8810 0.4590 0.4622 1.2467 1.2560 2.1942 2.2010 2.3083 2.3212 2.4709 2.4813 3.2753 3.2853 3.3238 3.3788 3.4308 3.4616 3.6025 3.6791 4.2619 4.2751 4.6176 4.6208 6.9268 6.9355 7.1791 7.2084 7.2649 7.2884 7.2991 7.3128 k = 0.5000 0.3506 0.0000 ( 6976 PWs) bands (ev): -6.5385 -6.5385 -6.2876 -6.2876 -5.6739 -5.6739 -5.6528 -5.6528 -3.1596 -3.1596 -3.0512 -3.0512 -1.7108 -1.7108 -1.5696 -1.5696 -1.4741 -1.4741 -0.8960 -0.8960 0.4603 0.4603 1.2540 1.2540 2.1985 2.1985 2.3150 2.3150 2.4763 2.4763 3.2863 3.2863 3.3551 3.3551 3.4402 3.4402 3.6402 3.6402 4.2689 4.2689 4.6203 4.6203 6.9294 6.9294 7.1909 7.1909 7.2815 7.2815 7.2923 7.2923 k = 0.0000 0.0000 0.8709 ( 6996 PWs) bands (ev): -6.1312 -6.1312 -6.1205 -6.1205 -6.0340 -6.0340 -5.8469 -5.8469 -3.1141 -3.1141 -3.0631 -3.0631 -1.6135 -1.6135 -1.4962 -1.4962 -1.4229 -1.4229 -0.7876 -0.7876 -0.2196 -0.2196 -0.0542 -0.0542 1.7015 1.7015 2.2565 2.2565 2.4665 2.4665 3.5713 3.5713 3.6507 3.6507 4.0575 4.0575 4.4309 4.4309 4.7012 4.7012 4.9772 4.9772 6.5222 6.5222 7.4686 7.4686 7.9215 7.9215 9.2908 9.2908 k = 0.0192 0.0135 0.8709 ( 6998 PWs) bands (ev): -6.1312 -6.1311 -6.1209 -6.1200 -6.0341 -6.0340 -5.8479 -5.8459 -3.1169 -3.1114 -3.0635 -3.0626 -1.6200 -1.6071 -1.4979 -1.4944 -1.4240 -1.4223 -0.7864 -0.7849 -0.2206 -0.2176 -0.0580 -0.0565 1.6940 1.6973 2.2530 2.2685 2.4666 2.4846 3.5663 3.5698 3.6453 3.6530 4.0548 4.0590 4.4285 4.4291 4.6955 4.7024 4.9728 4.9771 6.5290 6.5303 7.4712 7.4742 7.9186 7.9190 9.2854 9.2942 k = 0.0385 0.0270 0.8709 ( 7016 PWs) bands (ev): -6.1312 -6.1310 -6.1213 -6.1194 -6.0343 -6.0342 -5.8489 -5.8449 -3.1197 -3.1086 -3.0640 -3.0621 -1.6264 -1.6007 -1.4998 -1.4927 -1.4256 -1.4222 -0.7813 -0.7783 -0.2204 -0.2145 -0.0677 -0.0646 1.6762 1.6819 2.2598 2.2870 2.4854 2.5184 3.5550 3.5609 3.6375 3.6517 4.0511 4.0595 4.4218 4.4233 4.6857 4.6990 4.9644 4.9728 6.5506 6.5531 7.4817 7.4876 7.9101 7.9109 9.2782 9.2938 k = 0.0577 0.0405 0.8709 ( 7008 PWs) bands (ev): -6.1312 -6.1308 -6.1215 -6.1188 -6.0347 -6.0345 -5.8498 -5.8440 -3.1223 -3.1060 -3.0644 -3.0617 -1.6327 -1.5944 -1.5019 -1.4910 -1.4276 -1.4224 -0.7725 -0.7680 -0.2192 -0.2108 -0.0827 -0.0780 1.6502 1.6574 2.2777 2.3113 2.5206 2.5646 3.5375 3.5438 3.6281 3.6465 4.0462 4.0591 4.4109 4.4138 4.6729 4.6916 4.9529 4.9650 6.5860 6.5892 7.4997 7.5081 7.8959 7.8973 9.2686 9.2857 k = 0.0769 0.0539 0.8709 ( 7002 PWs) bands (ev): -6.1312 -6.1306 -6.1215 -6.1181 -6.0351 -6.0349 -5.8507 -5.8431 -3.1249 -3.1035 -3.0649 -3.0612 -1.6388 -1.5883 -1.5042 -1.4892 -1.4301 -1.4230 -0.7600 -0.7541 -0.2177 -0.2072 -0.1022 -0.0955 1.6190 1.6267 2.3059 2.3419 2.5685 2.6203 3.5139 3.5185 3.6173 3.6372 4.0403 4.0581 4.3959 4.4008 4.6581 4.6808 4.9394 4.9547 6.6336 6.6372 7.5240 7.5346 7.8759 7.8781 9.2562 9.2711 k = 0.0962 0.0674 0.8709 ( 7016 PWs) bands (ev): -6.1312 -6.1304 -6.1215 -6.1174 -6.0357 -6.0353 -5.8516 -5.8423 -3.1273 -3.1012 -3.0653 -3.0607 -1.6446 -1.5823 -1.5068 -1.4873 -1.4329 -1.4239 -0.7440 -0.7369 -0.2167 -0.2054 -0.1246 -0.1151 1.5849 1.5927 2.3431 2.3788 2.6249 2.6829 3.4841 3.4854 3.6046 3.6238 4.0335 4.0567 4.3773 4.3846 4.6428 4.6680 4.9251 4.9431 6.6917 6.6951 7.5530 7.5654 7.8500 7.8534 9.2407 9.2528 k = 0.1154 0.0809 0.8709 ( 7026 PWs) bands (ev): -6.1312 -6.1301 -6.1213 -6.1167 -6.0362 -6.0359 -5.8524 -5.8415 -3.1294 -3.0992 -3.0657 -3.0602 -1.6500 -1.5764 -1.5097 -1.4853 -1.4360 -1.4249 -0.7250 -0.7167 -0.2188 -0.2088 -0.1468 -0.1327 1.5504 1.5578 2.3876 2.4217 2.6867 2.7501 3.4454 3.4485 3.5895 3.6060 4.0260 4.0553 4.3561 4.3660 4.6279 4.6541 4.9111 4.9312 6.7582 6.7609 7.5848 7.5981 7.8186 7.8236 9.2225 9.2321 k = 0.1346 0.0944 0.8709 ( 7022 PWs) bands (ev): -6.1313 -6.1298 -6.1211 -6.1161 -6.0369 -6.0365 -5.8532 -5.8409 -3.1314 -3.0973 -3.0660 -3.0598 -1.6549 -1.5706 -1.5129 -1.4831 -1.4393 -1.4259 -0.7033 -0.6939 -0.2289 -0.2221 -0.1631 -0.1432 1.5172 1.5242 2.4375 2.4696 2.7512 2.8199 3.3996 3.4083 3.5716 3.5832 4.0181 4.0541 4.3338 4.3459 4.6143 4.6405 4.8981 4.9199 6.8310 6.8326 7.6156 7.6291 7.7833 7.7909 9.2021 9.2099 k = 0.1538 0.1079 0.8709 ( 7020 PWs) bands (ev): -6.1313 -6.1295 -6.1208 -6.1154 -6.0375 -6.0370 -5.8538 -5.8403 -3.1331 -3.0958 -3.0664 -3.0594 -1.6592 -1.5649 -1.5164 -1.4809 -1.4427 -1.4270 -0.6796 -0.6691 -0.2501 -0.2455 -0.1698 -0.1454 1.4867 1.4934 2.4909 2.5208 2.8161 2.8901 3.3493 3.3654 3.5509 3.5549 4.0100 4.0532 4.3119 4.3253 4.6024 4.6278 4.8867 4.9098 6.9079 6.9083 7.6374 7.6493 7.7503 7.7623 9.1806 9.1873 k = 0.1731 0.1214 0.8709 ( 7016 PWs) bands (ev): -6.1314 -6.1293 -6.1205 -6.1149 -6.0380 -6.0375 -5.8544 -5.8398 -3.1345 -3.0945 -3.0666 -3.0590 -1.6629 -1.5594 -1.5202 -1.4785 -1.4461 -1.4280 -0.6547 -0.6431 -0.2779 -0.2741 -0.1703 -0.1434 1.4602 1.4666 2.5453 2.5732 2.8793 2.9577 3.2962 3.3230 3.5209 3.5279 4.0023 4.0528 4.2921 4.3056 4.5926 4.6169 4.8772 4.9013 6.9847 6.9876 7.6304 7.6405 7.7381 7.7551 9.1595 9.1656 k = 0.1923 0.1348 0.8709 ( 7022 PWs) bands (ev): -6.1315 -6.1291 -6.1202 -6.1144 -6.0385 -6.0380 -5.8548 -5.8394 -3.1356 -3.0935 -3.0669 -3.0586 -1.6658 -1.5539 -1.5244 -1.4761 -1.4493 -1.4288 -0.6301 -0.6174 -0.3070 -0.3036 -0.1685 -0.1402 1.4387 1.4447 2.5974 2.6236 2.9387 3.0177 3.2425 3.2876 3.4811 3.5042 3.9954 4.0528 4.2756 4.2883 4.5849 4.6082 4.8698 4.8945 7.0599 7.0665 7.5901 7.6028 7.7504 7.7689 9.1405 9.1463 k = 0.2115 0.1483 0.8709 ( 7034 PWs) bands (ev): -6.1315 -6.1289 -6.1200 -6.1141 -6.0389 -6.0383 -5.8551 -5.8391 -3.1364 -3.0928 -3.0670 -3.0584 -1.6679 -1.5486 -1.5288 -1.4740 -1.4522 -1.4294 -0.6078 -0.5940 -0.3331 -0.3304 -0.1664 -0.1371 1.4228 1.4287 2.6428 2.6675 2.9922 3.0611 3.1907 3.2704 3.4367 3.4825 3.9900 4.0530 4.2633 4.2747 4.5795 4.6019 4.8646 4.8897 7.1288 7.1408 7.5376 7.5556 7.7673 7.7859 9.1253 9.1311 k = 0.2308 0.1618 0.8709 ( 7034 PWs) bands (ev): -6.1315 -6.1288 -6.1199 -6.1139 -6.0391 -6.0386 -5.8553 -5.8390 -3.1369 -3.0923 -3.0671 -3.0582 -1.6692 -1.5434 -1.5334 -1.4723 -1.4542 -1.4298 -0.5915 -0.5767 -0.3520 -0.3499 -0.1649 -0.1350 1.4130 1.4188 2.6749 2.6985 3.0376 3.0800 3.1447 3.2812 3.3916 3.4667 3.9865 4.0533 4.2558 4.2661 4.5762 4.5980 4.8614 4.8868 7.1825 7.2015 7.4889 7.5140 7.7794 7.7980 9.1154 9.1213 k = 0.2500 0.1753 0.8709 ( 7032 PWs) bands (ev): -6.1315 -6.1288 -6.1198 -6.1138 -6.0392 -6.0386 -5.8554 -5.8389 -3.1371 -3.0922 -3.0672 -3.0582 -1.6697 -1.5388 -1.5378 -1.4716 -1.4550 -1.4299 -0.5854 -0.5701 -0.3591 -0.3573 -0.1644 -0.1343 1.4097 1.4155 2.6867 2.7100 3.0633 3.0831 3.1184 3.2989 3.3645 3.4608 3.9853 4.0534 4.2533 4.2631 4.5751 4.5967 4.8604 4.8858 7.2043 7.2279 7.4664 7.4961 7.7838 7.8023 9.1120 9.1179 Writing output data file Al2HgTe4.save init_run : 5.34s CPU 12.49s WALL ( 1 calls) electrons : 1159.84s CPU 1170.30s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.66s CPU 1.67s WALL ( 1 calls) Called by electrons: c_bands : 1159.80s CPU 1169.62s WALL ( 1 calls) v_of_rho : 0.16s CPU 0.85s WALL ( 1 calls) v_h : 0.03s CPU 0.03s WALL ( 1 calls) v_xc : 0.12s CPU 0.70s WALL ( 1 calls) newd : 0.66s CPU 0.87s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.11s WALL ( 256 calls) cegterg : 1102.58s CPU 1109.53s WALL ( 675 calls) Called by sum_band: Called by *egterg: h_psi : 720.50s CPU 730.20s WALL ( 12459 calls) s_psi : 38.84s CPU 39.34s WALL ( 12459 calls) g_psi : 1.20s CPU 1.28s WALL ( 11528 calls) cdiaghg : 233.39s CPU 230.74s WALL ( 11784 calls) cegterg:over : 75.67s CPU 73.00s WALL ( 11528 calls) cegterg:upda : 19.87s CPU 23.40s WALL ( 11528 calls) cegterg:last : 17.54s CPU 18.44s WALL ( 2226 calls) Called by h_psi: h_psi:vloc : 626.32s CPU 633.71s WALL ( 12459 calls) h_psi:vnl : 93.64s CPU 95.25s WALL ( 12459 calls) add_vuspsi : 33.07s CPU 37.39s WALL ( 12459 calls) General routines calbec : 60.53s CPU 57.67s WALL ( 12459 calls) fft : 0.86s CPU 1.64s WALL ( 19 calls) ffts : 0.01s CPU 0.10s WALL ( 4 calls) fftw : 575.60s CPU 577.07s WALL ( 1334536 calls) interpolate : 0.25s CPU 0.36s WALL ( 4 calls) davcio : 0.03s CPU 2.47s WALL ( 512 calls) Parallel routines fft_scatter : 339.37s CPU 333.14s WALL ( 1334559 calls) PWSCF : 20m19.73s CPU 22m32.29s WALL This run was terminated on: 3:17:45 24Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=