Program PWSCF v.5.1.1 starts on 26Oct2015 at 6:40:58 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Ag2HgI4.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 138 72 19 5075 1887 275 Max 139 73 20 5078 1909 279 Sum 6663 3461 953 243701 91183 13297 bravais-lattice index = 14 lattice parameter (alat) = 14.6018 a.u. unit-cell volume = 1699.8803 (a.u.)^3 number of atoms/cell = 7 number of atomic types = 3 number of electrons = 62.00 number of Kohn-Sham states= 74 kinetic-energy cutoff = 54.0000 Ry charge density cutoff = 416.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 14.601768 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.665292 celldm(5)= -0.665292 celldm(6)= 0.330585 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.330585 0.943776 0.000000 ) a(3) = ( -0.665292 -0.471888 0.578539 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.350278 0.864246 ) b(2) = ( 0.000000 1.059573 0.864246 ) b(3) = ( 0.000000 0.000000 1.728491 ) 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 I read from file: /home/autes/Pseudo/I_MT_PBE_v_3_oleg_edit.UPF MD5 check sum: 1ab4f4b5fa7db8de97d041ab18f0a614 Pseudo is Norm-conserving, Zval = 7.0 Generated using "atomic" code by A. Dal Corso (Quantum ESPRESSO distribution) Using radial grid of 1247 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 3 for Ag read from file: /home/autes/Pseudo/Ag.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 30ab375624a706b88a092e30a79375fd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1237 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) I 7.00 126.90450 I( 1.00) Ag 11.00 107.86820 Ag( 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= 246 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040650 k( 2) = ( 0.0000000 0.0000000 0.0240068), wk = 0.0040650 k( 3) = ( 0.0000000 0.0000000 0.0480136), wk = 0.0040650 k( 4) = ( 0.0000000 0.0000000 0.0720205), wk = 0.0040650 k( 5) = ( 0.0000000 0.0000000 0.0960273), wk = 0.0040650 k( 6) = ( 0.0000000 0.0000000 0.1200341), wk = 0.0040650 k( 7) = ( 0.0000000 0.0000000 0.1440409), wk = 0.0040650 k( 8) = ( 0.0000000 0.0000000 0.1680477), wk = 0.0040650 k( 9) = ( 0.0000000 0.0000000 0.1920546), wk = 0.0040650 k( 10) = ( 0.0000000 0.0000000 0.2160614), wk = 0.0040650 k( 11) = ( 0.0000000 0.0000000 0.2400682), wk = 0.0040650 k( 12) = ( 0.0000000 0.0000000 0.2640750), wk = 0.0040650 k( 13) = ( 0.0000000 0.0000000 0.2880818), wk = 0.0040650 k( 14) = ( 0.0000000 0.0000000 0.3120887), wk = 0.0040650 k( 15) = ( 0.0000000 0.0000000 0.3360955), wk = 0.0040650 k( 16) = ( 0.0000000 0.0000000 0.3601023), wk = 0.0040650 k( 17) = ( 0.0000000 0.0000000 0.3841091), wk = 0.0040650 k( 18) = ( 0.0000000 0.0000000 0.4081159), wk = 0.0040650 k( 19) = ( 0.0000000 0.0000000 0.4321228), wk = 0.0040650 k( 20) = ( 0.0000000 0.0000000 0.4561296), wk = 0.0040650 k( 21) = ( 0.0000000 0.0000000 0.4801364), wk = 0.0040650 k( 22) = ( 0.0000000 0.0000000 0.5041432), wk = 0.0040650 k( 23) = ( 0.0000000 0.0000000 0.5281500), wk = 0.0040650 k( 24) = ( 0.0000000 0.0000000 0.5521568), wk = 0.0040650 k( 25) = ( 0.0000000 0.0000000 0.5761637), wk = 0.0040650 k( 26) = ( 0.0000000 0.0000000 0.6001705), wk = 0.0040650 k( 27) = ( 0.0000000 0.0000000 0.6241773), wk = 0.0040650 k( 28) = ( 0.0000000 0.0000000 0.6481841), wk = 0.0040650 k( 29) = ( 0.0000000 0.0000000 0.6721909), wk = 0.0040650 k( 30) = ( 0.0000000 0.0000000 0.6961978), wk = 0.0040650 k( 31) = ( 0.0000000 0.0000000 0.7202046), wk = 0.0040650 k( 32) = ( 0.0000000 0.0000000 0.7442114), wk = 0.0040650 k( 33) = ( 0.0000000 0.0000000 0.7682182), wk = 0.0040650 k( 34) = ( 0.0000000 0.0000000 0.7922250), wk = 0.0040650 k( 35) = ( 0.0000000 0.0000000 0.8162319), wk = 0.0040650 k( 36) = ( 0.0000000 0.0000000 0.8402387), wk = 0.0040650 k( 37) = ( 0.0000000 0.0000000 0.8642455), wk = 0.0040650 k( 38) = ( 0.0000000 0.0000000 0.8642455), wk = 0.0040650 k( 39) = ( -0.0139750 0.0197026 0.8642455), wk = 0.0040650 k( 40) = ( -0.0279499 0.0394052 0.8642455), wk = 0.0040650 k( 41) = ( -0.0419249 0.0591079 0.8642455), wk = 0.0040650 k( 42) = ( -0.0558999 0.0788105 0.8642455), wk = 0.0040650 k( 43) = ( -0.0698748 0.0985131 0.8642455), wk = 0.0040650 k( 44) = ( -0.0838498 0.1182158 0.8642455), wk = 0.0040650 k( 45) = ( -0.0978248 0.1379184 0.8642455), wk = 0.0040650 k( 46) = ( -0.1117997 0.1576210 0.8642455), wk = 0.0040650 k( 47) = ( -0.1257747 0.1773236 0.8642455), wk = 0.0040650 k( 48) = ( -0.1257747 0.1773236 0.8642455), wk = 0.0040650 k( 49) = ( -0.1356227 0.1912079 0.8472233), wk = 0.0040650 k( 50) = ( -0.1454708 0.2050922 0.8302010), wk = 0.0040650 k( 51) = ( -0.1553188 0.2189764 0.8131788), wk = 0.0040650 k( 52) = ( -0.1651668 0.2328607 0.7961565), wk = 0.0040650 k( 53) = ( -0.1750149 0.2467450 0.7791343), wk = 0.0040650 k( 54) = ( -0.1848629 0.2606292 0.7621121), wk = 0.0040650 k( 55) = ( -0.1947109 0.2745135 0.7450898), wk = 0.0040650 k( 56) = ( -0.2045590 0.2883978 0.7280676), wk = 0.0040650 k( 57) = ( -0.2144070 0.3022820 0.7110454), wk = 0.0040650 k( 58) = ( -0.2242550 0.3161663 0.6940231), wk = 0.0040650 k( 59) = ( -0.2341031 0.3300506 0.6770009), wk = 0.0040650 k( 60) = ( -0.2439511 0.3439348 0.6599786), wk = 0.0040650 k( 61) = ( -0.2537991 0.3578191 0.6429564), wk = 0.0040650 k( 62) = ( -0.2636472 0.3717034 0.6259342), wk = 0.0040650 k( 63) = ( -0.2734952 0.3855876 0.6089119), wk = 0.0040650 k( 64) = ( -0.2833432 0.3994719 0.5918897), wk = 0.0040650 k( 65) = ( -0.2931913 0.4133562 0.5748675), wk = 0.0040650 k( 66) = ( -0.3030393 0.4272404 0.5578452), wk = 0.0040650 k( 67) = ( -0.3128874 0.4411247 0.5408230), wk = 0.0040650 k( 68) = ( -0.3128874 0.4411247 0.5408230), wk = 0.0040650 k( 69) = ( -0.3031096 0.4273395 0.5239223), wk = 0.0040650 k( 70) = ( -0.2933319 0.4135544 0.5070215), wk = 0.0040650 k( 71) = ( -0.2835542 0.3997692 0.4901208), wk = 0.0040650 k( 72) = ( -0.2737764 0.3859841 0.4732201), wk = 0.0040650 k( 73) = ( -0.2639987 0.3721990 0.4563194), wk = 0.0040650 k( 74) = ( -0.2542210 0.3584138 0.4394187), wk = 0.0040650 k( 75) = ( -0.2444432 0.3446287 0.4225179), wk = 0.0040650 k( 76) = ( -0.2346655 0.3308435 0.4056172), wk = 0.0040650 k( 77) = ( -0.2248878 0.3170584 0.3887165), wk = 0.0040650 k( 78) = ( -0.2151100 0.3032732 0.3718158), wk = 0.0040650 k( 79) = ( -0.2053323 0.2894881 0.3549151), wk = 0.0040650 k( 80) = ( -0.1955546 0.2757029 0.3380144), wk = 0.0040650 k( 81) = ( -0.1857769 0.2619178 0.3211136), wk = 0.0040650 k( 82) = ( -0.1759991 0.2481326 0.3042129), wk = 0.0040650 k( 83) = ( -0.1662214 0.2343475 0.2873122), wk = 0.0040650 k( 84) = ( -0.1564437 0.2205623 0.2704115), wk = 0.0040650 k( 85) = ( -0.1466659 0.2067772 0.2535108), wk = 0.0040650 k( 86) = ( -0.1368882 0.1929921 0.2366101), wk = 0.0040650 k( 87) = ( -0.1271105 0.1792069 0.2197093), wk = 0.0040650 k( 88) = ( -0.1173328 0.1654218 0.2028086), wk = 0.0040650 k( 89) = ( -0.1075550 0.1516366 0.1859079), wk = 0.0040650 k( 90) = ( -0.0977773 0.1378515 0.1690072), wk = 0.0040650 k( 91) = ( -0.0879996 0.1240663 0.1521065), wk = 0.0040650 k( 92) = ( -0.0782218 0.1102812 0.1352057), wk = 0.0040650 k( 93) = ( -0.0684441 0.0964960 0.1183050), wk = 0.0040650 k( 94) = ( -0.0586664 0.0827109 0.1014043), wk = 0.0040650 k( 95) = ( -0.0488886 0.0689257 0.0845036), wk = 0.0040650 k( 96) = ( -0.0391109 0.0551406 0.0676029), wk = 0.0040650 k( 97) = ( -0.0293332 0.0413554 0.0507022), wk = 0.0040650 k( 98) = ( -0.0195555 0.0275703 0.0338014), wk = 0.0040650 k( 99) = ( -0.0097777 0.0137851 0.0169007), wk = 0.0040650 k( 100) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040650 k( 101) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040650 k( 102) = ( 0.0200000 0.0141859 0.0000000), wk = 0.0040650 k( 103) = ( 0.0400000 0.0283718 0.0000000), wk = 0.0040650 k( 104) = ( 0.0600000 0.0425577 0.0000000), wk = 0.0040650 k( 105) = ( 0.0800000 0.0567436 0.0000000), wk = 0.0040650 k( 106) = ( 0.1000000 0.0709295 0.0000000), wk = 0.0040650 k( 107) = ( 0.1200000 0.0851153 0.0000000), wk = 0.0040650 k( 108) = ( 0.1400000 0.0993012 0.0000000), wk = 0.0040650 k( 109) = ( 0.1600000 0.1134871 0.0000000), wk = 0.0040650 k( 110) = ( 0.1800000 0.1276730 0.0000000), wk = 0.0040650 k( 111) = ( 0.2000000 0.1418589 0.0000000), wk = 0.0040650 k( 112) = ( 0.2200000 0.1560448 0.0000000), wk = 0.0040650 k( 113) = ( 0.2400000 0.1702307 0.0000000), wk = 0.0040650 k( 114) = ( 0.2600000 0.1844166 0.0000000), wk = 0.0040650 k( 115) = ( 0.2800000 0.1986025 0.0000000), wk = 0.0040650 k( 116) = ( 0.3000000 0.2127884 0.0000000), wk = 0.0040650 k( 117) = ( 0.3200000 0.2269743 0.0000000), wk = 0.0040650 k( 118) = ( 0.3400000 0.2411602 0.0000000), wk = 0.0040650 k( 119) = ( 0.3600000 0.2553460 0.0000000), wk = 0.0040650 k( 120) = ( 0.3800000 0.2695319 0.0000000), wk = 0.0040650 k( 121) = ( 0.4000000 0.2837178 0.0000000), wk = 0.0040650 k( 122) = ( 0.4200000 0.2979037 0.0000000), wk = 0.0040650 k( 123) = ( 0.4400000 0.3120896 0.0000000), wk = 0.0040650 k( 124) = ( 0.4600000 0.3262755 0.0000000), wk = 0.0040650 k( 125) = ( 0.4800000 0.3404614 0.0000000), wk = 0.0040650 k( 126) = ( 0.5000000 0.3546473 0.0000000), wk = 0.0040650 k( 127) = ( 0.5000000 0.3546473 0.0000000), wk = 0.0040650 k( 128) = ( 0.4901520 0.3685315 0.0170222), wk = 0.0040650 k( 129) = ( 0.4803039 0.3824158 0.0340445), wk = 0.0040650 k( 130) = ( 0.4704559 0.3963001 0.0510667), wk = 0.0040650 k( 131) = ( 0.4606079 0.4101844 0.0680890), wk = 0.0040650 k( 132) = ( 0.4507598 0.4240686 0.0851112), wk = 0.0040650 k( 133) = ( 0.4409118 0.4379529 0.1021334), wk = 0.0040650 k( 134) = ( 0.4310638 0.4518371 0.1191557), wk = 0.0040650 k( 135) = ( 0.4212157 0.4657214 0.1361779), wk = 0.0040650 k( 136) = ( 0.4113677 0.4796057 0.1532002), wk = 0.0040650 k( 137) = ( 0.4015197 0.4934899 0.1702224), wk = 0.0040650 k( 138) = ( 0.3916716 0.5073742 0.1872446), wk = 0.0040650 k( 139) = ( 0.3818236 0.5212585 0.2042669), wk = 0.0040650 k( 140) = ( 0.3719755 0.5351427 0.2212891), wk = 0.0040650 k( 141) = ( 0.3621275 0.5490270 0.2383113), wk = 0.0040650 k( 142) = ( 0.3522795 0.5629113 0.2553336), wk = 0.0040650 k( 143) = ( 0.3424315 0.5767955 0.2723558), wk = 0.0040650 k( 144) = ( 0.3325834 0.5906798 0.2893781), wk = 0.0040650 k( 145) = ( 0.3227354 0.6045641 0.3064003), wk = 0.0040650 k( 146) = ( 0.3128874 0.6184483 0.3234225), wk = 0.0040650 k( 147) = ( 0.3128874 0.6184483 0.3234225), wk = 0.0040650 k( 148) = ( 0.2905382 0.6121153 0.3311868), wk = 0.0040650 k( 149) = ( 0.2681892 0.6057824 0.3389511), wk = 0.0040650 k( 150) = ( 0.2458401 0.5994494 0.3467154), wk = 0.0040650 k( 151) = ( 0.2234910 0.5931164 0.3544797), wk = 0.0040650 k( 152) = ( 0.2011419 0.5867834 0.3622440), wk = 0.0040650 k( 153) = ( 0.1787928 0.5804504 0.3700083), wk = 0.0040650 k( 154) = ( 0.1564437 0.5741174 0.3777727), wk = 0.0040650 k( 155) = ( 0.1340946 0.5677844 0.3855369), wk = 0.0040650 k( 156) = ( 0.1117455 0.5614515 0.3933012), wk = 0.0040650 k( 157) = ( 0.0893964 0.5551185 0.4010655), wk = 0.0040650 k( 158) = ( 0.0670473 0.5487855 0.4088298), wk = 0.0040650 k( 159) = ( 0.0446982 0.5424525 0.4165942), wk = 0.0040650 k( 160) = ( 0.0223491 0.5361195 0.4243584), wk = 0.0040650 k( 161) = ( 0.0000000 0.5297865 0.4321228), wk = 0.0040650 k( 162) = ( 0.0000000 0.5297865 0.4321228), wk = 0.0040650 k( 163) = ( 0.0100000 0.5156880 0.4494077), wk = 0.0040650 k( 164) = ( 0.0200000 0.5015895 0.4666926), wk = 0.0040650 k( 165) = ( 0.0300000 0.4874910 0.4839775), wk = 0.0040650 k( 166) = ( 0.0400000 0.4733925 0.5012624), wk = 0.0040650 k( 167) = ( 0.0500000 0.4592939 0.5185473), wk = 0.0040650 k( 168) = ( 0.0600000 0.4451954 0.5358322), wk = 0.0040650 k( 169) = ( 0.0700000 0.4310969 0.5531171), wk = 0.0040650 k( 170) = ( 0.0800000 0.4169984 0.5704020), wk = 0.0040650 k( 171) = ( 0.0900000 0.4028999 0.5876869), wk = 0.0040650 k( 172) = ( 0.1000000 0.3888014 0.6049719), wk = 0.0040650 k( 173) = ( 0.1100000 0.3747028 0.6222568), wk = 0.0040650 k( 174) = ( 0.1200000 0.3606043 0.6395417), wk = 0.0040650 k( 175) = ( 0.1300000 0.3465058 0.6568266), wk = 0.0040650 k( 176) = ( 0.1400000 0.3324073 0.6741115), wk = 0.0040650 k( 177) = ( 0.1500000 0.3183088 0.6913964), wk = 0.0040650 k( 178) = ( 0.1600000 0.3042103 0.7086813), wk = 0.0040650 k( 179) = ( 0.1700000 0.2901118 0.7259662), wk = 0.0040650 k( 180) = ( 0.1800000 0.2760132 0.7432511), wk = 0.0040650 k( 181) = ( 0.1900000 0.2619147 0.7605360), wk = 0.0040650 k( 182) = ( 0.2000000 0.2478162 0.7778210), wk = 0.0040650 k( 183) = ( 0.2100000 0.2337177 0.7951059), wk = 0.0040650 k( 184) = ( 0.2200000 0.2196192 0.8123908), wk = 0.0040650 k( 185) = ( 0.2300000 0.2055207 0.8296757), wk = 0.0040650 k( 186) = ( 0.2400000 0.1914222 0.8469606), wk = 0.0040650 k( 187) = ( 0.2500000 0.1773236 0.8642455), wk = 0.0040650 k( 188) = ( 0.2500000 0.1773236 0.8642455), wk = 0.0040650 k( 189) = ( 0.2656250 0.1884064 0.8506580), wk = 0.0040650 k( 190) = ( 0.2812500 0.1994891 0.8370704), wk = 0.0040650 k( 191) = ( 0.2968750 0.2105718 0.8234829), wk = 0.0040650 k( 192) = ( 0.3125000 0.2216546 0.8098954), wk = 0.0040650 k( 193) = ( 0.3281250 0.2327373 0.7963079), wk = 0.0040650 k( 194) = ( 0.3437500 0.2438200 0.7827203), wk = 0.0040650 k( 195) = ( 0.3593750 0.2549027 0.7691328), wk = 0.0040650 k( 196) = ( 0.3750000 0.2659855 0.7555453), wk = 0.0040650 k( 197) = ( 0.3906250 0.2770682 0.7419578), wk = 0.0040650 k( 198) = ( 0.4062500 0.2881509 0.7283702), wk = 0.0040650 k( 199) = ( 0.4218750 0.2992336 0.7147827), wk = 0.0040650 k( 200) = ( 0.4375000 0.3103164 0.7011952), wk = 0.0040650 k( 201) = ( 0.4531250 0.3213991 0.6876077), wk = 0.0040650 k( 202) = ( 0.4687500 0.3324818 0.6740201), wk = 0.0040650 k( 203) = ( 0.4843750 0.3435646 0.6604326), wk = 0.0040650 k( 204) = ( 0.5000000 0.3546473 0.6468451), wk = 0.0040650 k( 205) = ( 0.5000000 0.3546473 0.6468451), wk = 0.0040650 k( 206) = ( 0.5000000 0.3546473 0.6228878), wk = 0.0040650 k( 207) = ( 0.5000000 0.3546473 0.5989306), wk = 0.0040650 k( 208) = ( 0.5000000 0.3546473 0.5749734), wk = 0.0040650 k( 209) = ( 0.5000000 0.3546473 0.5510162), wk = 0.0040650 k( 210) = ( 0.5000000 0.3546473 0.5270589), wk = 0.0040650 k( 211) = ( 0.5000000 0.3546473 0.5031017), wk = 0.0040650 k( 212) = ( 0.5000000 0.3546473 0.4791445), wk = 0.0040650 k( 213) = ( 0.5000000 0.3546473 0.4551873), wk = 0.0040650 k( 214) = ( 0.5000000 0.3546473 0.4312300), wk = 0.0040650 k( 215) = ( 0.5000000 0.3546473 0.4072728), wk = 0.0040650 k( 216) = ( 0.5000000 0.3546473 0.3833156), wk = 0.0040650 k( 217) = ( 0.5000000 0.3546473 0.3593584), wk = 0.0040650 k( 218) = ( 0.5000000 0.3546473 0.3354011), wk = 0.0040650 k( 219) = ( 0.5000000 0.3546473 0.3114439), wk = 0.0040650 k( 220) = ( 0.5000000 0.3546473 0.2874867), wk = 0.0040650 k( 221) = ( 0.5000000 0.3546473 0.2635295), wk = 0.0040650 k( 222) = ( 0.5000000 0.3546473 0.2395722), wk = 0.0040650 k( 223) = ( 0.5000000 0.3546473 0.2156150), wk = 0.0040650 k( 224) = ( 0.5000000 0.3546473 0.1916578), wk = 0.0040650 k( 225) = ( 0.5000000 0.3546473 0.1677006), wk = 0.0040650 k( 226) = ( 0.5000000 0.3546473 0.1437434), wk = 0.0040650 k( 227) = ( 0.5000000 0.3546473 0.1197861), wk = 0.0040650 k( 228) = ( 0.5000000 0.3546473 0.0958289), wk = 0.0040650 k( 229) = ( 0.5000000 0.3546473 0.0718717), wk = 0.0040650 k( 230) = ( 0.5000000 0.3546473 0.0479144), wk = 0.0040650 k( 231) = ( 0.5000000 0.3546473 0.0239572), wk = 0.0040650 k( 232) = ( 0.5000000 0.3546473 0.0000000), wk = 0.0040650 k( 233) = ( 0.0000000 0.0000000 0.8642455), wk = 0.0040650 k( 234) = ( 0.0192308 0.0136403 0.8642455), wk = 0.0040650 k( 235) = ( 0.0384615 0.0272806 0.8642455), wk = 0.0040650 k( 236) = ( 0.0576923 0.0409208 0.8642455), wk = 0.0040650 k( 237) = ( 0.0769231 0.0545611 0.8642455), wk = 0.0040650 k( 238) = ( 0.0961538 0.0682014 0.8642455), wk = 0.0040650 k( 239) = ( 0.1153846 0.0818417 0.8642455), wk = 0.0040650 k( 240) = ( 0.1346154 0.0954820 0.8642455), wk = 0.0040650 k( 241) = ( 0.1538461 0.1091222 0.8642455), wk = 0.0040650 k( 242) = ( 0.1730769 0.1227625 0.8642455), wk = 0.0040650 k( 243) = ( 0.1923077 0.1364028 0.8642455), wk = 0.0040650 k( 244) = ( 0.2115385 0.1500431 0.8642455), wk = 0.0040650 k( 245) = ( 0.2307692 0.1636834 0.8642455), wk = 0.0040650 k( 246) = ( 0.2500000 0.1773236 0.8642455), wk = 0.0040650 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040650 k( 2) = ( 0.0000000 0.0000000 0.0138889), wk = 0.0040650 k( 3) = ( 0.0000000 0.0000000 0.0277778), wk = 0.0040650 k( 4) = ( 0.0000000 0.0000000 0.0416667), wk = 0.0040650 k( 5) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0040650 k( 6) = ( 0.0000000 0.0000000 0.0694444), wk = 0.0040650 k( 7) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0040650 k( 8) = ( 0.0000000 0.0000000 0.0972222), wk = 0.0040650 k( 9) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0040650 k( 10) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0040650 k( 11) = ( 0.0000000 0.0000000 0.1388889), wk = 0.0040650 k( 12) = ( 0.0000000 0.0000000 0.1527778), wk = 0.0040650 k( 13) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0040650 k( 14) = ( 0.0000000 0.0000000 0.1805556), wk = 0.0040650 k( 15) = ( 0.0000000 0.0000000 0.1944444), wk = 0.0040650 k( 16) = ( 0.0000000 0.0000000 0.2083333), wk = 0.0040650 k( 17) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0040650 k( 18) = ( 0.0000000 0.0000000 0.2361111), wk = 0.0040650 k( 19) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0040650 k( 20) = ( 0.0000000 0.0000000 0.2638889), wk = 0.0040650 k( 21) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0040650 k( 22) = ( 0.0000000 0.0000000 0.2916667), wk = 0.0040650 k( 23) = ( 0.0000000 0.0000000 0.3055556), wk = 0.0040650 k( 24) = ( 0.0000000 0.0000000 0.3194444), wk = 0.0040650 k( 25) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0040650 k( 26) = ( 0.0000000 0.0000000 0.3472222), wk = 0.0040650 k( 27) = ( 0.0000000 0.0000000 0.3611111), wk = 0.0040650 k( 28) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0040650 k( 29) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0040650 k( 30) = ( 0.0000000 0.0000000 0.4027778), wk = 0.0040650 k( 31) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0040650 k( 32) = ( 0.0000000 0.0000000 0.4305556), wk = 0.0040650 k( 33) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0040650 k( 34) = ( 0.0000000 0.0000000 0.4583333), wk = 0.0040650 k( 35) = ( 0.0000000 0.0000000 0.4722222), wk = 0.0040650 k( 36) = ( 0.0000000 0.0000000 0.4861111), wk = 0.0040650 k( 37) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0040650 k( 38) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0040650 k( 39) = ( -0.0139750 0.0139750 0.5000000), wk = 0.0040650 k( 40) = ( -0.0279499 0.0279499 0.5000000), wk = 0.0040650 k( 41) = ( -0.0419249 0.0419249 0.5000000), wk = 0.0040650 k( 42) = ( -0.0558999 0.0558999 0.5000000), wk = 0.0040650 k( 43) = ( -0.0698748 0.0698748 0.5000000), wk = 0.0040650 k( 44) = ( -0.0838498 0.0838498 0.5000000), wk = 0.0040650 k( 45) = ( -0.0978248 0.0978248 0.5000000), wk = 0.0040650 k( 46) = ( -0.1117997 0.1117997 0.5000000), wk = 0.0040650 k( 47) = ( -0.1257747 0.1257747 0.5000000), wk = 0.0040650 k( 48) = ( -0.1257747 0.1257747 0.5000000), wk = 0.0040650 k( 49) = ( -0.1356227 0.1356227 0.4901520), wk = 0.0040650 k( 50) = ( -0.1454708 0.1454708 0.4803039), wk = 0.0040650 k( 51) = ( -0.1553188 0.1553188 0.4704559), wk = 0.0040650 k( 52) = ( -0.1651668 0.1651668 0.4606079), wk = 0.0040650 k( 53) = ( -0.1750149 0.1750149 0.4507598), wk = 0.0040650 k( 54) = ( -0.1848629 0.1848629 0.4409118), wk = 0.0040650 k( 55) = ( -0.1947109 0.1947109 0.4310638), wk = 0.0040650 k( 56) = ( -0.2045590 0.2045590 0.4212157), wk = 0.0040650 k( 57) = ( -0.2144070 0.2144070 0.4113677), wk = 0.0040650 k( 58) = ( -0.2242550 0.2242550 0.4015197), wk = 0.0040650 k( 59) = ( -0.2341031 0.2341031 0.3916716), wk = 0.0040650 k( 60) = ( -0.2439511 0.2439511 0.3818236), wk = 0.0040650 k( 61) = ( -0.2537991 0.2537991 0.3719755), wk = 0.0040650 k( 62) = ( -0.2636472 0.2636472 0.3621275), wk = 0.0040650 k( 63) = ( -0.2734952 0.2734952 0.3522795), wk = 0.0040650 k( 64) = ( -0.2833432 0.2833432 0.3424314), wk = 0.0040650 k( 65) = ( -0.2931913 0.2931913 0.3325834), wk = 0.0040650 k( 66) = ( -0.3030393 0.3030393 0.3227354), wk = 0.0040650 k( 67) = ( -0.3128874 0.3128874 0.3128873), wk = 0.0040650 k( 68) = ( -0.3128874 0.3128874 0.3128873), wk = 0.0040650 k( 69) = ( -0.3031096 0.3031096 0.3031096), wk = 0.0040650 k( 70) = ( -0.2933319 0.2933319 0.2933319), wk = 0.0040650 k( 71) = ( -0.2835542 0.2835542 0.2835542), wk = 0.0040650 k( 72) = ( -0.2737764 0.2737764 0.2737764), wk = 0.0040650 k( 73) = ( -0.2639987 0.2639987 0.2639987), wk = 0.0040650 k( 74) = ( -0.2542210 0.2542210 0.2542210), wk = 0.0040650 k( 75) = ( -0.2444432 0.2444432 0.2444432), wk = 0.0040650 k( 76) = ( -0.2346655 0.2346655 0.2346655), wk = 0.0040650 k( 77) = ( -0.2248878 0.2248878 0.2248878), wk = 0.0040650 k( 78) = ( -0.2151100 0.2151100 0.2151100), wk = 0.0040650 k( 79) = ( -0.2053323 0.2053323 0.2053323), wk = 0.0040650 k( 80) = ( -0.1955546 0.1955546 0.1955546), wk = 0.0040650 k( 81) = ( -0.1857769 0.1857769 0.1857769), wk = 0.0040650 k( 82) = ( -0.1759991 0.1759991 0.1759991), wk = 0.0040650 k( 83) = ( -0.1662214 0.1662214 0.1662214), wk = 0.0040650 k( 84) = ( -0.1564437 0.1564437 0.1564437), wk = 0.0040650 k( 85) = ( -0.1466659 0.1466659 0.1466659), wk = 0.0040650 k( 86) = ( -0.1368882 0.1368882 0.1368882), wk = 0.0040650 k( 87) = ( -0.1271105 0.1271105 0.1271105), wk = 0.0040650 k( 88) = ( -0.1173328 0.1173328 0.1173328), wk = 0.0040650 k( 89) = ( -0.1075550 0.1075550 0.1075550), wk = 0.0040650 k( 90) = ( -0.0977773 0.0977773 0.0977773), wk = 0.0040650 k( 91) = ( -0.0879996 0.0879996 0.0879996), wk = 0.0040650 k( 92) = ( -0.0782218 0.0782218 0.0782218), wk = 0.0040650 k( 93) = ( -0.0684441 0.0684441 0.0684441), wk = 0.0040650 k( 94) = ( -0.0586664 0.0586664 0.0586664), wk = 0.0040650 k( 95) = ( -0.0488886 0.0488886 0.0488886), wk = 0.0040650 k( 96) = ( -0.0391109 0.0391109 0.0391109), wk = 0.0040650 k( 97) = ( -0.0293332 0.0293332 0.0293332), wk = 0.0040650 k( 98) = ( -0.0195555 0.0195555 0.0195555), wk = 0.0040650 k( 99) = ( -0.0097777 0.0097777 0.0097777), wk = 0.0040650 k( 100) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040650 k( 101) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040650 k( 102) = ( 0.0200000 0.0200000 -0.0200000), wk = 0.0040650 k( 103) = ( 0.0400000 0.0400000 -0.0400000), wk = 0.0040650 k( 104) = ( 0.0600000 0.0600000 -0.0600000), wk = 0.0040650 k( 105) = ( 0.0800000 0.0800000 -0.0800000), wk = 0.0040650 k( 106) = ( 0.1000000 0.1000000 -0.1000000), wk = 0.0040650 k( 107) = ( 0.1200000 0.1200000 -0.1200000), wk = 0.0040650 k( 108) = ( 0.1400000 0.1400000 -0.1400000), wk = 0.0040650 k( 109) = ( 0.1600000 0.1600000 -0.1600000), wk = 0.0040650 k( 110) = ( 0.1800000 0.1800000 -0.1800000), wk = 0.0040650 k( 111) = ( 0.2000000 0.2000000 -0.2000000), wk = 0.0040650 k( 112) = ( 0.2200000 0.2200000 -0.2200000), wk = 0.0040650 k( 113) = ( 0.2400000 0.2400000 -0.2400000), wk = 0.0040650 k( 114) = ( 0.2600000 0.2600000 -0.2600000), wk = 0.0040650 k( 115) = ( 0.2800000 0.2800000 -0.2800000), wk = 0.0040650 k( 116) = ( 0.3000000 0.3000000 -0.3000000), wk = 0.0040650 k( 117) = ( 0.3200000 0.3200000 -0.3200000), wk = 0.0040650 k( 118) = ( 0.3400000 0.3400000 -0.3400000), wk = 0.0040650 k( 119) = ( 0.3600000 0.3600000 -0.3600000), wk = 0.0040650 k( 120) = ( 0.3800000 0.3800000 -0.3800000), wk = 0.0040650 k( 121) = ( 0.4000000 0.4000000 -0.4000000), wk = 0.0040650 k( 122) = ( 0.4200000 0.4200000 -0.4200000), wk = 0.0040650 k( 123) = ( 0.4400000 0.4400000 -0.4400000), wk = 0.0040650 k( 124) = ( 0.4600000 0.4600000 -0.4600000), wk = 0.0040650 k( 125) = ( 0.4800000 0.4800000 -0.4800000), wk = 0.0040650 k( 126) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0040650 k( 127) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0040650 k( 128) = ( 0.4901520 0.5098480 -0.4901520), wk = 0.0040650 k( 129) = ( 0.4803039 0.5196961 -0.4803039), wk = 0.0040650 k( 130) = ( 0.4704559 0.5295441 -0.4704559), wk = 0.0040650 k( 131) = ( 0.4606079 0.5393921 -0.4606079), wk = 0.0040650 k( 132) = ( 0.4507598 0.5492402 -0.4507598), wk = 0.0040650 k( 133) = ( 0.4409118 0.5590882 -0.4409118), wk = 0.0040650 k( 134) = ( 0.4310638 0.5689362 -0.4310638), wk = 0.0040650 k( 135) = ( 0.4212157 0.5787843 -0.4212157), wk = 0.0040650 k( 136) = ( 0.4113677 0.5886323 -0.4113677), wk = 0.0040650 k( 137) = ( 0.4015197 0.5984803 -0.4015197), wk = 0.0040650 k( 138) = ( 0.3916716 0.6083284 -0.3916716), wk = 0.0040650 k( 139) = ( 0.3818236 0.6181764 -0.3818236), wk = 0.0040650 k( 140) = ( 0.3719755 0.6280244 -0.3719755), wk = 0.0040650 k( 141) = ( 0.3621275 0.6378725 -0.3621275), wk = 0.0040650 k( 142) = ( 0.3522795 0.6477205 -0.3522795), wk = 0.0040650 k( 143) = ( 0.3424315 0.6575686 -0.3424315), wk = 0.0040650 k( 144) = ( 0.3325834 0.6674166 -0.3325834), wk = 0.0040650 k( 145) = ( 0.3227354 0.6772646 -0.3227354), wk = 0.0040650 k( 146) = ( 0.3128874 0.6871126 -0.3128873), wk = 0.0040650 k( 147) = ( 0.3128874 0.6871126 -0.3128873), wk = 0.0040650 k( 148) = ( 0.2905382 0.6737475 -0.2905383), wk = 0.0040650 k( 149) = ( 0.2681892 0.6603823 -0.2681892), wk = 0.0040650 k( 150) = ( 0.2458401 0.6470171 -0.2458401), wk = 0.0040650 k( 151) = ( 0.2234910 0.6336519 -0.2234910), wk = 0.0040650 k( 152) = ( 0.2011419 0.6202867 -0.2011419), wk = 0.0040650 k( 153) = ( 0.1787928 0.6069215 -0.1787928), wk = 0.0040650 k( 154) = ( 0.1564437 0.5935563 -0.1564437), wk = 0.0040650 k( 155) = ( 0.1340946 0.5801911 -0.1340946), wk = 0.0040650 k( 156) = ( 0.1117455 0.5668259 -0.1117455), wk = 0.0040650 k( 157) = ( 0.0893964 0.5534608 -0.0893964), wk = 0.0040650 k( 158) = ( 0.0670473 0.5400956 -0.0670473), wk = 0.0040650 k( 159) = ( 0.0446982 0.5267304 -0.0446982), wk = 0.0040650 k( 160) = ( 0.0223491 0.5133652 -0.0223491), wk = 0.0040650 k( 161) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0040650 k( 162) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0040650 k( 163) = ( 0.0100000 0.4900000 0.0100000), wk = 0.0040650 k( 164) = ( 0.0200000 0.4800000 0.0200000), wk = 0.0040650 k( 165) = ( 0.0300000 0.4700000 0.0300000), wk = 0.0040650 k( 166) = ( 0.0400000 0.4600000 0.0400000), wk = 0.0040650 k( 167) = ( 0.0500000 0.4500000 0.0500000), wk = 0.0040650 k( 168) = ( 0.0600000 0.4400000 0.0600000), wk = 0.0040650 k( 169) = ( 0.0700000 0.4300000 0.0700000), wk = 0.0040650 k( 170) = ( 0.0800000 0.4200000 0.0800000), wk = 0.0040650 k( 171) = ( 0.0900000 0.4100000 0.0900000), wk = 0.0040650 k( 172) = ( 0.1000000 0.4000000 0.1000000), wk = 0.0040650 k( 173) = ( 0.1100000 0.3900000 0.1100000), wk = 0.0040650 k( 174) = ( 0.1200000 0.3800000 0.1200000), wk = 0.0040650 k( 175) = ( 0.1300000 0.3700000 0.1300000), wk = 0.0040650 k( 176) = ( 0.1400000 0.3600000 0.1400000), wk = 0.0040650 k( 177) = ( 0.1500000 0.3500000 0.1500000), wk = 0.0040650 k( 178) = ( 0.1600000 0.3400000 0.1600000), wk = 0.0040650 k( 179) = ( 0.1700000 0.3300000 0.1700000), wk = 0.0040650 k( 180) = ( 0.1800000 0.3200000 0.1800000), wk = 0.0040650 k( 181) = ( 0.1900000 0.3100000 0.1900000), wk = 0.0040650 k( 182) = ( 0.2000000 0.3000000 0.2000000), wk = 0.0040650 k( 183) = ( 0.2100000 0.2900000 0.2100000), wk = 0.0040650 k( 184) = ( 0.2200000 0.2800000 0.2200000), wk = 0.0040650 k( 185) = ( 0.2300000 0.2700000 0.2300000), wk = 0.0040650 k( 186) = ( 0.2400000 0.2600000 0.2400000), wk = 0.0040650 k( 187) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0040650 k( 188) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0040650 k( 189) = ( 0.2656250 0.2656250 0.2265141), wk = 0.0040650 k( 190) = ( 0.2812500 0.2812500 0.2030282), wk = 0.0040650 k( 191) = ( 0.2968750 0.2968750 0.1795422), wk = 0.0040650 k( 192) = ( 0.3125000 0.3125000 0.1560563), wk = 0.0040650 k( 193) = ( 0.3281250 0.3281250 0.1325704), wk = 0.0040650 k( 194) = ( 0.3437500 0.3437500 0.1090845), wk = 0.0040650 k( 195) = ( 0.3593750 0.3593750 0.0855986), wk = 0.0040650 k( 196) = ( 0.3750000 0.3750000 0.0621126), wk = 0.0040650 k( 197) = ( 0.3906250 0.3906250 0.0386267), wk = 0.0040650 k( 198) = ( 0.4062500 0.4062500 0.0151408), wk = 0.0040650 k( 199) = ( 0.4218750 0.4218750 -0.0083451), wk = 0.0040650 k( 200) = ( 0.4375000 0.4375000 -0.0318310), wk = 0.0040650 k( 201) = ( 0.4531250 0.4531250 -0.0553169), wk = 0.0040650 k( 202) = ( 0.4687500 0.4687500 -0.0788029), wk = 0.0040650 k( 203) = ( 0.4843750 0.4843750 -0.1022888), wk = 0.0040650 k( 204) = ( 0.5000000 0.5000000 -0.1257747), wk = 0.0040650 k( 205) = ( 0.5000000 0.5000000 -0.1257747), wk = 0.0040650 k( 206) = ( 0.5000000 0.5000000 -0.1396349), wk = 0.0040650 k( 207) = ( 0.5000000 0.5000000 -0.1534951), wk = 0.0040650 k( 208) = ( 0.5000000 0.5000000 -0.1673553), wk = 0.0040650 k( 209) = ( 0.5000000 0.5000000 -0.1812155), wk = 0.0040650 k( 210) = ( 0.5000000 0.5000000 -0.1950757), wk = 0.0040650 k( 211) = ( 0.5000000 0.5000000 -0.2089359), wk = 0.0040650 k( 212) = ( 0.5000000 0.5000000 -0.2227961), wk = 0.0040650 k( 213) = ( 0.5000000 0.5000000 -0.2366563), wk = 0.0040650 k( 214) = ( 0.5000000 0.5000000 -0.2505165), wk = 0.0040650 k( 215) = ( 0.5000000 0.5000000 -0.2643767), wk = 0.0040650 k( 216) = ( 0.5000000 0.5000000 -0.2782369), wk = 0.0040650 k( 217) = ( 0.5000000 0.5000000 -0.2920971), wk = 0.0040650 k( 218) = ( 0.5000000 0.5000000 -0.3059573), wk = 0.0040650 k( 219) = ( 0.5000000 0.5000000 -0.3198175), wk = 0.0040650 k( 220) = ( 0.5000000 0.5000000 -0.3336776), wk = 0.0040650 k( 221) = ( 0.5000000 0.5000000 -0.3475378), wk = 0.0040650 k( 222) = ( 0.5000000 0.5000000 -0.3613980), wk = 0.0040650 k( 223) = ( 0.5000000 0.5000000 -0.3752582), wk = 0.0040650 k( 224) = ( 0.5000000 0.5000000 -0.3891184), wk = 0.0040650 k( 225) = ( 0.5000000 0.5000000 -0.4029786), wk = 0.0040650 k( 226) = ( 0.5000000 0.5000000 -0.4168388), wk = 0.0040650 k( 227) = ( 0.5000000 0.5000000 -0.4306990), wk = 0.0040650 k( 228) = ( 0.5000000 0.5000000 -0.4445592), wk = 0.0040650 k( 229) = ( 0.5000000 0.5000000 -0.4584194), wk = 0.0040650 k( 230) = ( 0.5000000 0.5000000 -0.4722796), wk = 0.0040650 k( 231) = ( 0.5000000 0.5000000 -0.4861398), wk = 0.0040650 k( 232) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0040650 k( 233) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0040650 k( 234) = ( 0.0192308 0.0192308 0.4807692), wk = 0.0040650 k( 235) = ( 0.0384615 0.0384615 0.4615385), wk = 0.0040650 k( 236) = ( 0.0576923 0.0576923 0.4423077), wk = 0.0040650 k( 237) = ( 0.0769231 0.0769231 0.4230769), wk = 0.0040650 k( 238) = ( 0.0961538 0.0961538 0.4038461), wk = 0.0040650 k( 239) = ( 0.1153846 0.1153846 0.3846154), wk = 0.0040650 k( 240) = ( 0.1346154 0.1346154 0.3653846), wk = 0.0040650 k( 241) = ( 0.1538461 0.1538461 0.3461538), wk = 0.0040650 k( 242) = ( 0.1730769 0.1730769 0.3269231), wk = 0.0040650 k( 243) = ( 0.1923077 0.1923077 0.3076923), wk = 0.0040650 k( 244) = ( 0.2115385 0.2115385 0.2884615), wk = 0.0040650 k( 245) = ( 0.2307692 0.2307692 0.2692308), wk = 0.0040650 k( 246) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0040650 Dense grid: 243701 G-vectors FFT dimensions: ( 96, 96, 96) Smooth grid: 91183 G-vectors FFT dimensions: ( 72, 72, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.54 Mb ( 480, 74) NL pseudopotentials 0.61 Mb ( 240, 166) Each V/rho on FFT grid 0.28 Mb ( 18432) Each G-vector array 0.04 Mb ( 5078) G-vector shells 0.02 Mb ( 2343) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.17 Mb ( 480, 296) Each subspace H/S matrix 1.34 Mb ( 296, 296) Each matrix 0.37 Mb ( 166, 2, 74) The potential is recalculated from file : ./Ag2HgI4.save/charge-density.dat Starting wfc are 86 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 49.0 secs Computing kpt #: 2 total cpu time spent up to now is 56.3 secs Computing kpt #: 3 total cpu time spent up to now is 63.8 secs Computing kpt #: 4 total cpu time spent up to now is 75.5 secs Computing kpt #: 5 total cpu time spent up to now is 85.0 secs Computing kpt #: 6 total cpu time spent up to now is 92.5 secs Computing kpt #: 7 total cpu time spent up to now is 100.0 secs Computing kpt #: 8 total cpu time spent up to now is 108.5 secs Computing kpt #: 9 total cpu time spent up to now is 116.8 secs Computing kpt #: 10 total cpu time spent up to now is 125.1 secs Computing kpt #: 11 total cpu time spent up to now is 133.7 secs Computing kpt #: 12 total cpu time spent up to now is 142.9 secs Computing kpt #: 13 total cpu time spent up to now is 151.9 secs Computing kpt #: 14 total cpu time spent up to now is 162.9 secs Computing kpt #: 15 total cpu time spent up to now is 175.3 secs Computing kpt #: 16 total cpu time spent up to now is 185.8 secs Computing kpt #: 17 total cpu time spent up to now is 197.2 secs Computing kpt #: 18 total cpu time spent up to now is 207.8 secs Computing kpt #: 19 total cpu time spent up to now is 217.3 secs Computing kpt #: 20 total cpu time spent up to now is 228.0 secs Computing kpt #: 21 total cpu time spent up to now is 236.7 secs Computing kpt #: 22 total cpu time spent up to now is 246.0 secs Computing kpt #: 23 total cpu time spent up to now is 254.9 secs Computing kpt #: 24 total cpu time spent up to now is 263.7 secs Computing kpt #: 25 total cpu time spent up to now is 272.8 secs Computing kpt #: 26 total cpu time spent up to now is 282.0 secs Computing kpt #: 27 total cpu time spent up to now is 291.2 secs Computing kpt #: 28 total cpu time spent up to now is 300.1 secs Computing kpt #: 29 total cpu time spent up to now is 310.6 secs Computing kpt #: 30 total cpu time spent up to now is 321.1 secs Computing kpt #: 31 total cpu time spent up to now is 330.3 secs Computing kpt #: 32 total cpu time spent up to now is 339.3 secs Computing kpt #: 33 total cpu time spent up to now is 349.1 secs Computing kpt #: 34 total cpu time spent up to now is 357.9 secs Computing kpt #: 35 total cpu time spent up to now is 368.7 secs Computing kpt #: 36 total cpu time spent up to now is 380.2 secs Computing kpt #: 37 total cpu time spent up to now is 388.8 secs Computing kpt #: 38 total cpu time spent up to now is 397.4 secs Computing kpt #: 39 total cpu time spent up to now is 407.6 secs Computing kpt #: 40 total cpu time spent up to now is 417.0 secs Computing kpt #: 41 total cpu time spent up to now is 429.1 secs Computing kpt #: 42 total cpu time spent up to now is 437.8 secs Computing kpt #: 43 total cpu time spent up to now is 447.2 secs Computing kpt #: 44 total cpu time spent up to now is 456.3 secs Computing kpt #: 45 total cpu time spent up to now is 465.4 secs Computing kpt #: 46 total cpu time spent up to now is 474.4 secs Computing kpt #: 47 total cpu time spent up to now is 484.3 secs Computing kpt #: 48 total cpu time spent up to now is 493.4 secs Computing kpt #: 49 total cpu time spent up to now is 502.6 secs Computing kpt #: 50 total cpu time spent up to now is 512.9 secs Computing kpt #: 51 total cpu time spent up to now is 522.0 secs Computing kpt #: 52 total cpu time spent up to now is 531.0 secs Computing kpt #: 53 total cpu time spent up to now is 541.8 secs Computing kpt #: 54 total cpu time spent up to now is 550.7 secs Computing kpt #: 55 total cpu time spent up to now is 559.2 secs Computing kpt #: 56 total cpu time spent up to now is 568.1 secs Computing kpt #: 57 total cpu time spent up to now is 577.2 secs Computing kpt #: 58 total cpu time spent up to now is 588.2 secs Computing kpt #: 59 total cpu time spent up to now is 597.2 secs Computing kpt #: 60 total cpu time spent up to now is 607.2 secs Computing kpt #: 61 total cpu time spent up to now is 616.0 secs Computing kpt #: 62 total cpu time spent up to now is 625.6 secs Computing kpt #: 63 total cpu time spent up to now is 634.9 secs Computing kpt #: 64 total cpu time spent up to now is 643.6 secs Computing kpt #: 65 total cpu time spent up to now is 652.3 secs Computing kpt #: 66 total cpu time spent up to now is 661.1 secs Computing kpt #: 67 total cpu time spent up to now is 670.3 secs Computing kpt #: 68 total cpu time spent up to now is 681.0 secs Computing kpt #: 69 total cpu time spent up to now is 690.0 secs Computing kpt #: 70 total cpu time spent up to now is 698.8 secs Computing kpt #: 71 total cpu time spent up to now is 706.7 secs Computing kpt #: 72 total cpu time spent up to now is 715.3 secs Computing kpt #: 73 total cpu time spent up to now is 723.4 secs Computing kpt #: 74 total cpu time spent up to now is 732.0 secs Computing kpt #: 75 total cpu time spent up to now is 740.3 secs Computing kpt #: 76 total cpu time spent up to now is 748.3 secs Computing kpt #: 77 total cpu time spent up to now is 756.3 secs Computing kpt #: 78 total cpu time spent up to now is 764.5 secs Computing kpt #: 79 total cpu time spent up to now is 772.5 secs Computing kpt #: 80 total cpu time spent up to now is 780.8 secs Computing kpt #: 81 total cpu time spent up to now is 789.1 secs Computing kpt #: 82 total cpu time spent up to now is 797.2 secs Computing kpt #: 83 total cpu time spent up to now is 805.5 secs Computing kpt #: 84 total cpu time spent up to now is 813.7 secs Computing kpt #: 85 total cpu time spent up to now is 822.3 secs Computing kpt #: 86 total cpu time spent up to now is 831.0 secs Computing kpt #: 87 total cpu time spent up to now is 839.8 secs Computing kpt #: 88 total cpu time spent up to now is 848.4 secs Computing kpt #: 89 total cpu time spent up to now is 857.2 secs Computing kpt #: 90 total cpu time spent up to now is 865.7 secs Computing kpt #: 91 total cpu time spent up to now is 874.0 secs Computing kpt #: 92 total cpu time spent up to now is 881.8 secs Computing kpt #: 93 total cpu time spent up to now is 889.5 secs Computing kpt #: 94 total cpu time spent up to now is 897.1 secs Computing kpt #: 95 total cpu time spent up to now is 904.6 secs Computing kpt #: 96 total cpu time spent up to now is 912.2 secs Computing kpt #: 97 total cpu time spent up to now is 919.6 secs Computing kpt #: 98 total cpu time spent up to now is 927.0 secs Computing kpt #: 99 total cpu time spent up to now is 934.3 secs Computing kpt #: 100 total cpu time spent up to now is 941.5 secs Computing kpt #: 101 total cpu time spent up to now is 948.8 secs Computing kpt #: 102 total cpu time spent up to now is 956.1 secs Computing kpt #: 103 total cpu time spent up to now is 963.5 secs Computing kpt #: 104 total cpu time spent up to now is 971.9 secs Computing kpt #: 105 total cpu time spent up to now is 980.7 secs Computing kpt #: 106 total cpu time spent up to now is 988.0 secs Computing kpt #: 107 total cpu time spent up to now is 995.1 secs Computing kpt #: 108 total cpu time spent up to now is 1002.2 secs Computing kpt #: 109 total cpu time spent up to now is 1009.1 secs Computing kpt #: 110 total cpu time spent up to now is 1016.0 secs Computing kpt #: 111 total cpu time spent up to now is 1022.9 secs Computing kpt #: 112 total cpu time spent up to now is 1029.6 secs Computing kpt #: 113 total cpu time spent up to now is 1036.5 secs Computing kpt #: 114 total cpu time spent up to now is 1043.4 secs Computing kpt #: 115 total cpu time spent up to now is 1050.0 secs Computing kpt #: 116 total cpu time spent up to now is 1056.7 secs Computing kpt #: 117 total cpu time spent up to now is 1063.6 secs Computing kpt #: 118 total cpu time spent up to now is 1070.4 secs Computing kpt #: 119 total cpu time spent up to now is 1077.2 secs Computing kpt #: 120 total cpu time spent up to now is 1084.2 secs Computing kpt #: 121 total cpu time spent up to now is 1091.0 secs Computing kpt #: 122 total cpu time spent up to now is 1097.8 secs Computing kpt #: 123 total cpu time spent up to now is 1105.2 secs Computing kpt #: 124 total cpu time spent up to now is 1112.2 secs Computing kpt #: 125 total cpu time spent up to now is 1119.0 secs Computing kpt #: 126 total cpu time spent up to now is 1125.8 secs Computing kpt #: 127 total cpu time spent up to now is 1132.5 secs Computing kpt #: 128 total cpu time spent up to now is 1139.2 secs Computing kpt #: 129 total cpu time spent up to now is 1146.1 secs Computing kpt #: 130 total cpu time spent up to now is 1153.0 secs Computing kpt #: 131 total cpu time spent up to now is 1160.2 secs Computing kpt #: 132 total cpu time spent up to now is 1167.2 secs Computing kpt #: 133 total cpu time spent up to now is 1174.6 secs Computing kpt #: 134 total cpu time spent up to now is 1181.8 secs Computing kpt #: 135 total cpu time spent up to now is 1189.4 secs Computing kpt #: 136 total cpu time spent up to now is 1196.8 secs Computing kpt #: 137 total cpu time spent up to now is 1204.3 secs Computing kpt #: 138 total cpu time spent up to now is 1212.1 secs Computing kpt #: 139 total cpu time spent up to now is 1219.7 secs Computing kpt #: 140 total cpu time spent up to now is 1227.4 secs Computing kpt #: 141 total cpu time spent up to now is 1235.2 secs Computing kpt #: 142 total cpu time spent up to now is 1243.4 secs Computing kpt #: 143 total cpu time spent up to now is 1251.3 secs Computing kpt #: 144 total cpu time spent up to now is 1259.7 secs Computing kpt #: 145 total cpu time spent up to now is 1269.3 secs Computing kpt #: 146 total cpu time spent up to now is 1280.8 secs Computing kpt #: 147 total cpu time spent up to now is 1289.5 secs Computing kpt #: 148 total cpu time spent up to now is 1298.3 secs Computing kpt #: 149 total cpu time spent up to now is 1306.5 secs Computing kpt #: 150 total cpu time spent up to now is 1315.1 secs Computing kpt #: 151 total cpu time spent up to now is 1323.1 secs Computing kpt #: 152 total cpu time spent up to now is 1331.9 secs Computing kpt #: 153 total cpu time spent up to now is 1340.8 secs Computing kpt #: 154 total cpu time spent up to now is 1349.9 secs Computing kpt #: 155 total cpu time spent up to now is 1358.7 secs Computing kpt #: 156 total cpu time spent up to now is 1367.0 secs Computing kpt #: 157 total cpu time spent up to now is 1375.1 secs Computing kpt #: 158 total cpu time spent up to now is 1384.0 secs Computing kpt #: 159 total cpu time spent up to now is 1393.3 secs Computing kpt #: 160 total cpu time spent up to now is 1402.6 secs Computing kpt #: 161 total cpu time spent up to now is 1412.7 secs Computing kpt #: 162 total cpu time spent up to now is 1421.4 secs Computing kpt #: 163 total cpu time spent up to now is 1429.8 secs Computing kpt #: 164 total cpu time spent up to now is 1439.1 secs Computing kpt #: 165 total cpu time spent up to now is 1448.2 secs Computing kpt #: 166 total cpu time spent up to now is 1457.2 secs Computing kpt #: 167 total cpu time spent up to now is 1465.6 secs Computing kpt #: 168 total cpu time spent up to now is 1474.5 secs Computing kpt #: 169 total cpu time spent up to now is 1483.4 secs Computing kpt #: 170 total cpu time spent up to now is 1492.2 secs Computing kpt #: 171 total cpu time spent up to now is 1501.0 secs Computing kpt #: 172 total cpu time spent up to now is 1509.7 secs Computing kpt #: 173 total cpu time spent up to now is 1518.6 secs Computing kpt #: 174 total cpu time spent up to now is 1527.4 secs Computing kpt #: 175 total cpu time spent up to now is 1536.5 secs Computing kpt #: 176 total cpu time spent up to now is 1545.6 secs Computing kpt #: 177 total cpu time spent up to now is 1554.7 secs Computing kpt #: 178 total cpu time spent up to now is 1564.0 secs Computing kpt #: 179 total cpu time spent up to now is 1574.4 secs Computing kpt #: 180 total cpu time spent up to now is 1584.1 secs Computing kpt #: 181 total cpu time spent up to now is 1594.2 secs Computing kpt #: 182 total cpu time spent up to now is 1604.2 secs Computing kpt #: 183 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1617.4 secs Computing kpt #: 184 total cpu time spent up to now is 1627.4 secs Computing kpt #: 185 total cpu time spent up to now is 1638.8 secs Computing kpt #: 186 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1652.0 secs Computing kpt #: 187 total cpu time spent up to now is 1663.5 secs Computing kpt #: 188 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1676.6 secs Computing kpt #: 189 total cpu time spent up to now is 1689.7 secs Computing kpt #: 190 total cpu time spent up to now is 1699.7 secs Computing kpt #: 191 total cpu time spent up to now is 1709.8 secs Computing kpt #: 192 total cpu time spent up to now is 1719.3 secs Computing kpt #: 193 total cpu time spent up to now is 1728.8 secs Computing kpt #: 194 total cpu time spent up to now is 1738.7 secs Computing kpt #: 195 total cpu time spent up to now is 1748.7 secs Computing kpt #: 196 total cpu time spent up to now is 1758.0 secs Computing kpt #: 197 total cpu time spent up to now is 1767.2 secs Computing kpt #: 198 total cpu time spent up to now is 1776.2 secs Computing kpt #: 199 total cpu time spent up to now is 1785.3 secs Computing kpt #: 200 total cpu time spent up to now is 1794.5 secs Computing kpt #: 201 total cpu time spent up to now is 1803.6 secs Computing kpt #: 202 total cpu time spent up to now is 1812.6 secs Computing kpt #: 203 total cpu time spent up to now is 1821.7 secs Computing kpt #: 204 total cpu time spent up to now is 1830.6 secs Computing kpt #: 205 total cpu time spent up to now is 1839.5 secs Computing kpt #: 206 total cpu time spent up to now is 1848.6 secs Computing kpt #: 207 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1862.0 secs Computing kpt #: 208 total cpu time spent up to now is 1872.7 secs Computing kpt #: 209 total cpu time spent up to now is 1882.9 secs Computing kpt #: 210 total cpu time spent up to now is 1892.3 secs Computing kpt #: 211 total cpu time spent up to now is 1901.7 secs Computing kpt #: 212 total cpu time spent up to now is 1910.9 secs Computing kpt #: 213 total cpu time spent up to now is 1919.8 secs Computing kpt #: 214 total cpu time spent up to now is 1928.6 secs Computing kpt #: 215 total cpu time spent up to now is 1937.1 secs Computing kpt #: 216 total cpu time spent up to now is 1945.5 secs Computing kpt #: 217 total cpu time spent up to now is 1953.5 secs Computing kpt #: 218 total cpu time spent up to now is 1961.7 secs Computing kpt #: 219 total cpu time spent up to now is 1969.4 secs Computing kpt #: 220 total cpu time spent up to now is 1977.1 secs Computing kpt #: 221 total cpu time spent up to now is 1984.7 secs Computing kpt #: 222 total cpu time spent up to now is 1992.3 secs Computing kpt #: 223 total cpu time spent up to now is 2000.0 secs Computing kpt #: 224 total cpu time spent up to now is 2007.6 secs Computing kpt #: 225 total cpu time spent up to now is 2014.9 secs Computing kpt #: 226 total cpu time spent up to now is 2022.2 secs Computing kpt #: 227 total cpu time spent up to now is 2029.4 secs Computing kpt #: 228 total cpu time spent up to now is 2036.6 secs Computing kpt #: 229 total cpu time spent up to now is 2043.7 secs Computing kpt #: 230 total cpu time spent up to now is 2050.7 secs Computing kpt #: 231 total cpu time spent up to now is 2057.5 secs Computing kpt #: 232 total cpu time spent up to now is 2064.2 secs Computing kpt #: 233 total cpu time spent up to now is 2073.0 secs Computing kpt #: 234 total cpu time spent up to now is 2082.3 secs Computing kpt #: 235 total cpu time spent up to now is 2091.6 secs Computing kpt #: 236 total cpu time spent up to now is 2100.3 secs Computing kpt #: 237 total cpu time spent up to now is 2109.4 secs Computing kpt #: 238 total cpu time spent up to now is 2118.8 secs Computing kpt #: 239 total cpu time spent up to now is 2127.8 secs Computing kpt #: 240 total cpu time spent up to now is 2137.1 secs Computing kpt #: 241 total cpu time spent up to now is 2146.3 secs Computing kpt #: 242 total cpu time spent up to now is 2155.5 secs Computing kpt #: 243 total cpu time spent up to now is 2166.9 secs Computing kpt #: 244 total cpu time spent up to now is 2179.5 secs Computing kpt #: 245 total cpu time spent up to now is 2190.2 secs Computing kpt #: 246 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2203.3 secs ethr = 1.61E-11, avg # of iterations = 46.3 total cpu time spent up to now is 2203.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 11327 PWs) bands (ev): -8.3653 -8.3653 -7.8524 -7.8524 -7.8487 -7.8487 -7.8453 -7.8453 -3.1379 -3.1379 -3.1120 -3.1120 -1.5685 -1.5685 -1.4825 -1.4825 -1.4251 -1.4251 -0.8438 -0.8438 0.3542 0.3542 0.5920 0.5920 0.6309 0.6309 0.6757 0.6757 0.7635 0.7635 0.9432 0.9432 1.0947 1.0947 1.1615 1.1615 1.3459 1.3459 1.5760 1.5760 1.5874 1.5874 1.9384 1.9384 2.0130 2.0130 2.1275 2.1275 2.3221 2.3221 2.5474 2.5474 2.8819 2.8819 2.9691 2.9691 3.7825 3.7825 4.5116 4.5116 4.5495 4.5495 5.5764 5.5764 7.7716 7.7716 8.0723 8.0723 8.6736 8.6736 9.4464 9.4464 9.6964 9.6964 k = 0.0000 0.0000 0.0240 ( 11323 PWs) bands (ev): -8.3649 -8.3649 -7.8530 -7.8520 -7.8492 -7.8485 -7.8455 -7.8454 -3.1380 -3.1379 -3.1121 -3.1119 -1.5691 -1.5682 -1.4829 -1.4821 -1.4254 -1.4246 -0.8438 -0.8429 0.3514 0.3572 0.5894 0.5933 0.6269 0.6347 0.6713 0.6798 0.7597 0.7677 0.9414 0.9451 1.0867 1.1009 1.1501 1.1735 1.3434 1.3488 1.5727 1.5788 1.5819 1.5905 1.9272 1.9398 2.0131 2.0183 2.1218 2.1411 2.3125 2.3339 2.5422 2.5542 2.8726 2.8917 2.9564 2.9846 3.7794 3.7817 4.5074 4.5094 4.5426 4.5460 5.5818 5.5867 7.7696 7.7770 8.0752 8.0768 8.6714 8.6747 9.4370 9.4556 9.6948 9.6982 k = 0.0000 0.0000 0.0480 ( 11331 PWs) bands (ev): -8.3636 -8.3635 -7.8540 -7.8521 -7.8499 -7.8485 -7.8461 -7.8460 -3.1382 -3.1380 -3.1121 -3.1118 -1.5700 -1.5682 -1.4832 -1.4817 -1.4255 -1.4240 -0.8428 -0.8410 0.3489 0.3605 0.5856 0.5933 0.6227 0.6381 0.6669 0.6833 0.7560 0.7725 0.9398 0.9468 1.0781 1.1024 1.1421 1.1848 1.3416 1.3520 1.5673 1.5747 1.5814 1.5911 1.9107 1.9291 2.0169 2.0297 2.1230 2.1613 2.3058 2.3470 2.5392 2.5628 2.8635 2.9025 2.9463 3.0033 3.7722 3.7771 4.4943 4.4977 4.5286 4.5361 5.6023 5.6116 7.7711 7.7855 8.0855 8.0883 8.6681 8.6747 9.4274 9.4645 9.6936 9.7004 k = 0.0000 0.0000 0.0720 ( 11325 PWs) bands (ev): -8.3614 -8.3613 -7.8553 -7.8529 -7.8506 -7.8490 -7.8470 -7.8466 -3.1385 -3.1382 -3.1122 -3.1117 -1.5711 -1.5685 -1.4835 -1.4813 -1.4255 -1.4232 -0.8409 -0.8383 0.3467 0.3640 0.5809 0.5918 0.6183 0.6404 0.6631 0.6866 0.7523 0.7779 0.9385 0.9479 1.0694 1.0963 1.1408 1.1947 1.3405 1.3555 1.5575 1.5697 1.5821 1.5911 1.8914 1.9105 2.0226 2.0463 2.1282 2.1857 2.3028 2.3606 2.5387 2.5735 2.8544 2.9139 2.9397 3.0252 3.7608 3.7686 4.4662 4.4718 4.5154 4.5265 5.6360 5.6490 7.7758 7.7964 8.1033 8.1066 8.6640 8.6741 9.4179 9.4731 9.6925 9.7031 k = 0.0000 0.0000 0.0960 ( 11313 PWs) bands (ev): -8.3584 -8.3582 -7.8570 -7.8544 -7.8516 -7.8502 -7.8480 -7.8471 -3.1389 -3.1385 -3.1123 -3.1115 -1.5724 -1.5691 -1.4837 -1.4808 -1.4252 -1.4223 -0.8382 -0.8348 0.3449 0.3676 0.5752 0.5890 0.6138 0.6405 0.6608 0.6902 0.7484 0.7839 0.9375 0.9481 1.0609 1.0842 1.1445 1.2028 1.3400 1.3592 1.5444 1.5656 1.5801 1.5926 1.8700 1.8884 2.0299 2.0658 2.1344 2.2125 2.3035 2.3741 2.5414 2.5871 2.8453 2.9209 2.9421 3.0503 3.7448 3.7564 4.4243 4.4344 4.5041 4.5181 5.6804 5.6961 7.7831 7.8090 8.1285 8.1314 8.6595 8.6733 9.4086 9.4813 9.6917 9.7064 k = 0.0000 0.0000 0.1200 ( 11319 PWs) bands (ev): -8.3545 -8.3543 -7.8591 -7.8564 -7.8532 -7.8521 -7.8488 -7.8473 -3.1394 -3.1389 -3.1125 -3.1114 -1.5738 -1.5701 -1.4840 -1.4802 -1.4248 -1.4214 -0.8348 -0.8305 0.3434 0.3713 0.5686 0.5848 0.6092 0.6381 0.6599 0.6944 0.7442 0.7905 0.9368 0.9470 1.0526 1.0699 1.1501 1.2089 1.3395 1.3633 1.5298 1.5611 1.5765 1.5956 1.8467 1.8655 2.0391 2.0869 2.1396 2.2393 2.3079 2.3871 2.5483 2.6039 2.8368 2.9203 2.9574 3.0782 3.7241 3.7402 4.3737 4.3897 4.4923 4.5091 5.7327 5.7503 7.7925 7.8225 8.1597 8.1625 8.6554 8.6731 9.3999 9.4890 9.6911 9.7106 k = 0.0000 0.0000 0.1440 ( 11333 PWs) bands (ev): -8.3498 -8.3496 -7.8617 -7.8589 -7.8554 -7.8545 -7.8493 -7.8475 -3.1399 -3.1393 -3.1127 -3.1111 -1.5753 -1.5713 -1.4842 -1.4795 -1.4241 -1.4203 -0.8308 -0.8257 0.3421 0.3749 0.5613 0.5793 0.6045 0.6340 0.6596 0.6998 0.7397 0.7973 0.9361 0.9443 1.0438 1.0559 1.1558 1.2127 1.3385 1.3680 1.5144 1.5557 1.5734 1.5991 1.8220 1.8429 2.0500 2.1089 2.1436 2.2623 2.3168 2.3995 2.5606 2.6244 2.8296 2.9197 2.9787 3.1085 3.6983 3.7199 4.3178 4.3411 4.4792 4.4987 5.7906 5.8091 7.8032 7.8361 8.1943 8.1997 8.6528 8.6747 9.3919 9.4963 9.6910 9.7160 k = 0.0000 0.0000 0.1680 ( 11337 PWs) bands (ev): -8.3442 -8.3440 -7.8647 -7.8619 -7.8582 -7.8575 -7.8498 -7.8476 -3.1404 -3.1399 -3.1129 -3.1109 -1.5769 -1.5729 -1.4845 -1.4788 -1.4232 -1.4192 -0.8263 -0.8204 0.3412 0.3784 0.5535 0.5724 0.6000 0.6291 0.6593 0.7062 0.7348 0.8045 0.9347 0.9404 1.0324 1.0455 1.1611 1.2142 1.3367 1.3732 1.4989 1.5495 1.5712 1.6031 1.7967 1.8206 2.0625 2.1311 2.1473 2.2765 2.3323 2.4120 2.5795 2.6481 2.8246 2.9220 3.0035 3.1408 3.6674 3.6956 4.2590 4.2909 4.4645 4.4867 5.8519 5.8707 7.8148 7.8493 8.2305 8.2408 8.6534 8.6798 9.3851 9.5030 9.6916 9.7228 k = 0.0000 0.0000 0.1921 ( 11337 PWs) bands (ev): -8.3379 -8.3376 -7.8682 -7.8651 -7.8615 -7.8608 -7.8503 -7.8477 -3.1411 -3.1404 -3.1131 -3.1106 -1.5786 -1.5746 -1.4847 -1.4779 -1.4222 -1.4180 -0.8215 -0.8149 0.3405 0.3818 0.5451 0.5644 0.5954 0.6241 0.6589 0.7135 0.7296 0.8118 0.9303 0.9373 1.0185 1.0389 1.1656 1.2135 1.3340 1.3785 1.4836 1.5427 1.5703 1.6073 1.7717 1.7984 2.0766 2.1477 2.1565 2.2818 2.3507 2.4270 2.6052 2.6744 2.8230 2.9282 3.0310 3.1746 3.6315 3.6671 4.1989 4.2405 4.4480 4.4728 5.9150 5.9334 7.8267 7.8617 8.2657 8.2822 8.6594 8.6906 9.3800 9.5092 9.6935 9.7314 k = 0.0000 0.0000 0.2161 ( 11344 PWs) bands (ev): -8.3307 -8.3305 -7.8721 -7.8688 -7.8651 -7.8644 -7.8509 -7.8479 -3.1418 -3.1410 -3.1134 -3.1103 -1.5804 -1.5764 -1.4849 -1.4770 -1.4210 -1.4168 -0.8165 -0.8092 0.3400 0.3847 0.5362 0.5556 0.5906 0.6193 0.6584 0.7212 0.7243 0.8191 0.9225 0.9353 1.0044 1.0342 1.1691 1.2106 1.3307 1.3828 1.4693 1.5353 1.5705 1.6116 1.7474 1.7764 2.0922 2.1532 2.1770 2.2826 2.3650 2.4486 2.6366 2.7023 2.8260 2.9389 3.0604 3.2094 3.5909 3.6347 4.1390 4.1909 4.4300 4.4571 5.9784 5.9959 7.8382 7.8730 8.2965 8.3199 8.6733 8.7098 9.3768 9.5150 9.6974 9.7420 k = 0.0000 0.0000 0.2401 ( 11356 PWs) bands (ev): -8.3228 -8.3226 -7.8763 -7.8728 -7.8690 -7.8684 -7.8515 -7.8482 -3.1425 -3.1416 -3.1137 -3.1100 -1.5823 -1.5782 -1.4852 -1.4759 -1.4196 -1.4155 -0.8115 -0.8036 0.3396 0.3873 0.5271 0.5461 0.5854 0.6152 0.6579 0.7184 0.7294 0.8264 0.9129 0.9323 0.9915 1.0305 1.1712 1.2057 1.3272 1.3847 1.4567 1.5273 1.5716 1.6159 1.7238 1.7549 2.1093 2.1588 2.1967 2.2823 2.3742 2.4771 2.6722 2.7306 2.8352 2.9542 3.0913 3.2446 3.5464 3.5986 4.0800 4.1427 4.4104 4.4397 6.0408 6.0574 7.8489 7.8831 8.3199 8.3504 8.6970 8.7397 9.3761 9.5206 9.7038 9.7549 k = 0.0000 0.0000 0.2641 ( 11372 PWs) bands (ev): -8.3143 -8.3140 -7.8809 -7.8772 -7.8733 -7.8726 -7.8523 -7.8486 -3.1433 -3.1422 -3.1140 -3.1096 -1.5843 -1.5800 -1.4854 -1.4747 -1.4182 -1.4142 -0.8067 -0.7982 0.3395 0.3892 0.5177 0.5364 0.5796 0.6120 0.6576 0.7127 0.7374 0.8336 0.9023 0.9273 0.9807 1.0273 1.1718 1.1991 1.3238 1.3824 1.4469 1.5188 1.5733 1.6200 1.7013 1.7344 2.1278 2.1656 2.2136 2.2831 2.3820 2.5101 2.7102 2.7584 2.8518 2.9738 3.1229 3.2797 3.4991 3.5596 4.0226 4.0959 4.3893 4.4206 6.1010 6.1172 7.8581 7.8917 8.3344 8.3718 8.7304 8.7808 9.3780 9.5264 9.7133 9.7703 k = 0.0000 0.0000 0.2881 ( 11388 PWs) bands (ev): -8.3050 -8.3047 -7.8858 -7.8819 -7.8778 -7.8769 -7.8532 -7.8492 -3.1440 -3.1427 -3.1143 -3.1093 -1.5864 -1.5816 -1.4856 -1.4735 -1.4166 -1.4128 -0.8023 -0.7932 0.3394 0.3905 0.5081 0.5266 0.5733 0.6100 0.6575 0.7069 0.7451 0.8406 0.8915 0.9195 0.9726 1.0245 1.1706 1.1911 1.3206 1.3746 1.4408 1.5098 1.5751 1.6236 1.6800 1.7154 2.1470 2.1734 2.2271 2.2869 2.3924 2.5449 2.7486 2.7853 2.8767 2.9968 3.1545 3.3137 3.4508 3.5189 3.9672 4.0504 4.3670 4.4001 6.1576 6.1747 7.8650 7.8987 8.3404 8.3848 8.7712 8.8312 9.3826 9.5330 9.7263 9.7885 k = 0.0000 0.0000 0.3121 ( 11390 PWs) bands (ev): -8.2950 -8.2948 -7.8910 -7.8868 -7.8825 -7.8815 -7.8543 -7.8499 -3.1448 -3.1432 -3.1147 -3.1090 -1.5886 -1.5829 -1.4859 -1.4722 -1.4150 -1.4115 -0.7983 -0.7887 0.3393 0.3911 0.4983 0.5172 0.5665 0.6091 0.6575 0.7012 0.7523 0.8470 0.8810 0.9091 0.9671 1.0220 1.1677 1.1821 1.3176 1.3613 1.4374 1.5006 1.5766 1.6261 1.6606 1.6986 2.1651 2.1816 2.2392 2.2947 2.4077 2.5801 2.7855 2.8126 2.9092 3.0224 3.1848 3.3437 3.4055 3.4787 3.9140 4.0059 4.3435 4.3782 6.2096 6.2296 7.8688 7.9040 8.3395 8.3915 8.8160 8.8873 9.3899 9.5409 9.7428 9.8093 k = 0.0000 0.0000 0.3361 ( 11382 PWs) bands (ev): -8.2845 -8.2843 -7.8964 -7.8920 -7.8873 -7.8862 -7.8555 -7.8509 -3.1455 -3.1437 -3.1150 -3.1086 -1.5909 -1.5841 -1.4862 -1.4708 -1.4134 -1.4101 -0.7949 -0.7849 0.3392 0.3908 0.4883 0.5083 0.5595 0.6092 0.6577 0.6956 0.7588 0.8517 0.8722 0.8971 0.9635 1.0196 1.1629 1.1725 1.3145 1.3440 1.4352 1.4915 1.5770 1.6254 1.6457 1.6849 2.1769 2.1922 2.2534 2.3079 2.4277 2.6143 2.8189 2.8429 2.9473 3.0491 3.2114 3.3491 3.3831 3.4449 3.8632 3.9622 4.3190 4.3551 6.2562 6.2811 7.8692 7.9076 8.3337 8.3938 8.8614 8.9451 9.3993 9.5506 9.7622 9.8323 k = 0.0000 0.0000 0.3601 ( 11388 PWs) bands (ev): -8.2734 -8.2732 -7.9020 -7.8975 -7.8922 -7.8910 -7.8570 -7.8521 -3.1462 -3.1441 -3.1154 -3.1083 -1.5932 -1.5850 -1.4865 -1.4694 -1.4117 -1.4087 -0.7922 -0.7819 0.3391 0.3896 0.4783 0.5000 0.5522 0.6104 0.6578 0.6904 0.7644 0.8509 0.8684 0.8851 0.9609 1.0173 1.1557 1.1631 1.3105 1.3245 1.4328 1.4828 1.5757 1.6173 1.6395 1.6749 2.1808 2.2043 2.2721 2.3282 2.4511 2.6459 2.8488 2.8770 2.9884 3.0756 3.2277 3.3272 3.3763 3.4378 3.8156 3.9190 4.2936 4.3310 6.2969 6.3283 7.8660 7.9090 8.3244 8.3931 8.9051 9.0013 9.4101 9.5623 9.7821 9.8250 k = 0.0000 0.0000 0.3841 ( 11386 PWs) bands (ev): -8.2618 -8.2616 -7.9077 -7.9031 -7.8972 -7.8959 -7.8587 -7.8536 -3.1469 -3.1445 -3.1158 -3.1081 -1.5955 -1.5857 -1.4867 -1.4680 -1.4100 -1.4074 -0.7903 -0.7797 0.3388 0.3874 0.4686 0.4923 0.5449 0.6123 0.6575 0.6858 0.7688 0.8438 0.8668 0.8779 0.9587 1.0146 1.1454 1.1553 1.2984 1.3111 1.4296 1.4748 1.5722 1.6059 1.6377 1.6694 2.1813 2.2140 2.2955 2.3562 2.4760 2.6727 2.8775 2.9128 3.0289 3.1008 3.2253 3.3263 3.3529 3.4544 3.7728 3.8762 4.2674 4.3059 6.3312 6.3704 7.8597 7.9081 8.3125 8.3900 8.9454 9.0531 9.4215 9.5755 9.7922 9.7993 k = 0.0000 0.0000 0.4081 ( 11376 PWs) bands (ev): -8.2498 -8.2495 -7.9135 -7.9088 -7.9022 -7.9008 -7.8607 -7.8553 -3.1475 -3.1448 -3.1161 -3.1078 -1.5976 -1.5863 -1.4870 -1.4666 -1.4083 -1.4060 -0.7892 -0.7784 0.3383 0.3842 0.4593 0.4850 0.5375 0.6147 0.6563 0.6824 0.7717 0.8343 0.8599 0.8800 0.9569 1.0110 1.1328 1.1487 1.2770 1.3061 1.4255 1.4676 1.5665 1.5961 1.6361 1.6682 2.1806 2.2211 2.3227 2.3906 2.5007 2.6920 2.9062 2.9485 3.0636 3.1269 3.2146 3.3332 3.3442 3.4702 3.7377 3.8342 4.2405 4.2801 6.3587 6.4067 7.8508 7.9047 8.2984 8.3844 8.9820 9.0992 9.4328 9.5895 9.7730 9.7969 k = 0.0000 0.0000 0.4321 ( 11384 PWs) bands (ev): -8.2373 -8.2370 -7.9193 -7.9146 -7.9072 -7.9058 -7.8629 -7.8574 -3.1480 -3.1450 -3.1165 -3.1076 -1.5996 -1.5867 -1.4873 -1.4653 -1.4067 -1.4047 -0.7889 -0.7781 0.3376 0.3800 0.4506 0.4782 0.5302 0.6175 0.6531 0.6809 0.7729 0.8236 0.8544 0.8839 0.9556 1.0055 1.1194 1.1429 1.2552 1.3017 1.4207 1.4610 1.5596 1.5881 1.6340 1.6699 2.1798 2.2272 2.3526 2.4282 2.5245 2.7007 2.9348 2.9832 3.0887 3.1571 3.2105 3.3268 3.3652 3.4765 3.7145 3.7935 4.2130 4.2536 6.3788 6.4362 7.8400 7.8990 8.2819 8.3758 9.0150 9.1389 9.4439 9.6029 9.7614 9.7894 k = 0.0000 0.0000 0.4561 ( 11380 PWs) bands (ev): -8.2245 -8.2241 -7.9251 -7.9204 -7.9122 -7.9107 -7.8655 -7.8599 -3.1484 -3.1452 -3.1168 -3.1075 -1.6014 -1.5870 -1.4875 -1.4640 -1.4052 -1.4035 -0.7895 -0.7787 0.3366 0.3747 0.4424 0.4717 0.5229 0.6203 0.6478 0.6815 0.7727 0.8126 0.8522 0.8873 0.9551 0.9966 1.1067 1.1379 1.2352 1.2973 1.4156 1.4551 1.5524 1.5816 1.6318 1.6735 2.1795 2.2333 2.3834 2.4639 2.5492 2.6971 2.9627 3.0169 3.1113 3.1819 3.2240 3.3320 3.3839 3.4720 3.7057 3.7562 4.1849 4.2266 6.3913 6.4585 7.8283 7.8918 8.2624 8.3634 9.0453 9.1725 9.4550 9.6147 9.7596 9.7864 k = 0.0000 0.0000 0.4801 ( 11396 PWs) bands (ev): -8.2114 -8.2109 -7.9308 -7.9262 -7.9171 -7.9156 -7.8684 -7.8627 -3.1488 -3.1454 -3.1171 -3.1074 -1.6029 -1.5872 -1.4877 -1.4628 -1.4037 -1.4022 -0.7908 -0.7801 0.3353 0.3685 0.4347 0.4655 0.5158 0.6229 0.6404 0.6838 0.7713 0.8022 0.8525 0.8892 0.9560 0.9831 1.0964 1.1334 1.2180 1.2931 1.4105 1.4496 1.5456 1.5762 1.6296 1.6782 2.1799 2.2401 2.4121 2.4893 2.5810 2.6832 2.9902 3.0504 3.1390 3.1941 3.2569 3.3419 3.3949 3.4654 3.7023 3.7314 4.1564 4.1991 6.3961 6.4728 7.8162 7.8837 8.2392 8.3465 9.0738 9.2011 9.4668 9.6249 9.7649 9.7947 k = 0.0000 0.0000 0.5041 ( 11400 PWs) bands (ev): -8.1981 -8.1975 -7.9365 -7.9320 -7.9219 -7.9203 -7.8717 -7.8659 -3.1490 -3.1454 -3.1174 -3.1073 -1.6043 -1.5873 -1.4879 -1.4618 -1.4024 -1.4011 -0.7930 -0.7823 0.3338 0.3616 0.4274 0.4596 0.5089 0.6242 0.6321 0.6869 0.7691 0.7934 0.8547 0.8896 0.9589 0.9647 1.0898 1.1291 1.2043 1.2895 1.4057 1.4444 1.5393 1.5717 1.6272 1.6835 2.1814 2.2480 2.4336 2.4995 2.6235 2.6657 3.0181 3.0849 3.1713 3.2076 3.2882 3.3451 3.4033 3.4688 3.6826 3.7384 4.1274 4.1712 6.3929 6.4787 7.8043 7.8757 8.2117 8.3248 9.1018 9.2264 9.4798 9.6352 9.7750 9.8156 k = 0.0000 0.0000 0.5282 ( 11412 PWs) bands (ev): -8.1846 -8.1838 -7.9420 -7.9376 -7.9266 -7.9249 -7.8753 -7.8695 -3.1492 -3.1455 -3.1176 -3.1074 -1.6054 -1.5874 -1.4880 -1.4609 -1.4011 -1.3999 -0.7957 -0.7853 0.3320 0.3541 0.4200 0.4540 0.5024 0.6181 0.6294 0.6901 0.7664 0.7866 0.8577 0.8888 0.9423 0.9639 1.0867 1.1245 1.1944 1.2867 1.4012 1.4396 1.5334 1.5680 1.6247 1.6893 2.1841 2.2568 2.4405 2.4971 2.6547 2.6739 3.0471 3.1207 3.2010 3.2281 3.2905 3.3545 3.4209 3.4814 3.6645 3.7581 4.0980 4.1430 6.3823 6.4761 7.7930 7.8685 8.1797 8.2983 9.1301 9.2503 9.4945 9.6470 9.7902 9.8461 k = 0.0000 0.0000 0.5522 ( 11408 PWs) bands (ev): -8.1709 -8.1700 -7.9473 -7.9431 -7.9311 -7.9294 -7.8794 -7.8735 -3.1493 -3.1454 -3.1178 -3.1074 -1.6063 -1.5874 -1.4879 -1.4602 -1.4000 -1.3989 -0.7990 -0.7889 0.3300 0.3462 0.4123 0.4489 0.4964 0.6060 0.6307 0.6928 0.7632 0.7822 0.8609 0.8877 0.9181 0.9705 1.0864 1.1194 1.1885 1.2852 1.3973 1.4351 1.5278 1.5651 1.6223 1.6954 2.1877 2.2662 2.4306 2.4821 2.6611 2.7272 3.0766 3.1571 3.2100 3.2533 3.2828 3.3719 3.4461 3.5016 3.6569 3.7811 4.0683 4.1147 6.3645 6.4650 7.7825 7.8628 8.1431 8.2675 9.1594 9.2744 9.5110 9.6615 9.8101 9.8832 k = 0.0000 0.0000 0.5762 ( 11410 PWs) bands (ev): -8.1572 -8.1561 -7.9525 -7.9484 -7.9354 -7.9336 -7.8838 -7.8779 -3.1493 -3.1454 -3.1179 -3.1076 -1.6069 -1.5875 -1.4878 -1.4596 -1.3989 -1.3979 -0.8027 -0.7929 0.3279 0.3382 0.4038 0.4443 0.4910 0.5922 0.6323 0.6944 0.7593 0.7801 0.8633 0.8878 0.8942 0.9783 1.0883 1.1139 1.1861 1.2850 1.3940 1.4309 1.5224 1.5626 1.6199 1.7016 2.1921 2.2753 2.4087 2.4565 2.6831 2.7811 3.1021 3.1832 3.1971 3.2725 3.3066 3.3809 3.4779 3.5300 3.6602 3.8047 4.0383 4.0865 6.3403 6.4458 7.7726 7.8589 8.1026 8.2334 9.1904 9.3000 9.5292 9.6788 9.8338 9.9249 k = 0.0000 0.0000 0.6002 ( 11410 PWs) bands (ev): -8.1434 -8.1423 -7.9574 -7.9535 -7.9395 -7.9376 -7.8886 -7.8828 -3.1492 -3.1453 -3.1180 -3.1078 -1.6072 -1.5876 -1.4874 -1.4593 -1.3980 -1.3970 -0.8067 -0.7973 0.3259 0.3304 0.3946 0.4402 0.4863 0.5773 0.6337 0.6948 0.7549 0.7792 0.8633 0.8732 0.8899 0.9865 1.0917 1.1088 1.1864 1.2861 1.3912 1.4272 1.5171 1.5605 1.6180 1.7078 2.1963 2.2818 2.3807 2.4284 2.7131 2.8328 3.1050 3.1693 3.2278 3.2905 3.3363 3.3908 3.5138 3.5646 3.6718 3.8276 4.0084 4.0588 6.3107 6.4191 7.7629 7.8568 8.0592 8.1973 9.2230 9.3279 9.5489 9.6982 9.8600 9.9694 k = 0.0000 0.0000 0.6242 ( 11416 PWs) bands (ev): -8.1298 -8.1284 -7.9621 -7.9584 -7.9432 -7.9412 -7.8939 -7.8881 -3.1491 -3.1452 -3.1180 -3.1081 -1.6073 -1.5878 -1.4869 -1.4593 -1.3972 -1.3962 -0.8108 -0.8019 0.3220 0.3248 0.3845 0.4366 0.4822 0.5616 0.6350 0.6940 0.7499 0.7781 0.8517 0.8667 0.8939 0.9942 1.0965 1.1049 1.1889 1.2886 1.3891 1.4241 1.5117 1.5582 1.6168 1.7139 2.1986 2.2812 2.3522 2.4068 2.7445 2.8773 3.0773 3.1771 3.2552 3.3084 3.3632 3.4120 3.5513 3.6023 3.6890 3.8486 3.9786 4.0322 6.2769 6.3860 7.7530 7.8558 8.0147 8.1606 9.2573 9.3584 9.5696 9.7188 9.8871 10.0151 k = 0.0000 0.0000 0.6482 ( 11412 PWs) bands (ev): -8.1163 -8.1148 -7.9665 -7.9630 -7.9467 -7.9446 -7.8995 -7.8938 -3.1489 -3.1451 -3.1180 -3.1085 -1.6071 -1.5881 -1.4863 -1.4595 -1.3964 -1.3955 -0.8149 -0.8066 0.3151 0.3232 0.3740 0.4330 0.4786 0.5458 0.6363 0.6920 0.7446 0.7749 0.8393 0.8664 0.8991 1.0003 1.1008 1.1043 1.1929 1.2921 1.3879 1.4221 1.5062 1.5555 1.6170 1.7198 2.1952 2.2681 2.3294 2.3995 2.7728 2.9026 3.0561 3.1805 3.2792 3.3316 3.3910 3.4396 3.5891 3.6408 3.7096 3.8663 3.9495 4.0079 6.2402 6.3478 7.7424 7.8543 7.9716 8.1250 9.2930 9.3914 9.5908 9.7394 9.9138 10.0600 k = 0.0000 0.0000 0.6722 ( 11408 PWs) bands (ev): -8.1030 -8.1014 -7.9706 -7.9674 -7.9499 -7.9475 -7.9054 -7.8999 -3.1486 -3.1450 -3.1178 -3.1090 -1.6067 -1.5885 -1.4854 -1.4600 -1.3958 -1.3949 -0.8189 -0.8113 0.3085 0.3223 0.3632 0.4290 0.4755 0.5305 0.6374 0.6891 0.7394 0.7684 0.8331 0.8664 0.9052 1.0041 1.1018 1.1102 1.1981 1.2960 1.3876 1.4212 1.5005 1.5518 1.6190 1.7252 2.1817 2.2436 2.3187 2.4066 2.7933 2.8931 3.0656 3.1753 3.3054 3.3580 3.4202 3.4678 3.6261 3.6782 3.7321 3.8783 3.9219 3.9885 6.2021 6.3059 7.7304 7.8479 7.9354 8.0919 9.3299 9.4268 9.6116 9.7586 9.9387 10.1011 k = 0.0000 0.0000 0.6962 ( 11388 PWs) bands (ev): -8.0900 -8.0883 -7.9745 -7.9715 -7.9526 -7.9501 -7.9116 -7.9063 -3.1483 -3.1449 -3.1176 -3.1095 -1.6061 -1.5891 -1.4843 -1.4607 -1.3952 -1.3944 -0.8227 -0.8157 0.3028 0.3221 0.3526 0.4242 0.4729 0.5163 0.6385 0.6853 0.7346 0.7598 0.8321 0.8666 0.9118 1.0052 1.1042 1.1174 1.2046 1.2997 1.3886 1.4221 1.4945 1.5468 1.6231 1.7299 2.1586 2.2133 2.3215 2.4229 2.8004 2.8605 3.0975 3.1701 3.3327 3.3838 3.4490 3.4949 3.6610 3.7127 3.7544 3.8821 3.8971 3.9773 6.1642 6.2619 7.7170 7.8288 7.9147 8.0624 9.3677 9.4642 9.6310 9.7751 9.9604 10.1345 k = 0.0000 0.0000 0.7202 ( 11394 PWs) bands (ev): -8.0775 -8.0756 -7.9781 -7.9755 -7.9549 -7.9522 -7.9181 -7.9129 -3.1480 -3.1449 -3.1174 -3.1100 -1.6053 -1.5899 -1.4829 -1.4617 -1.3947 -1.3939 -0.8261 -0.8200 0.2980 0.3224 0.3428 0.4180 0.4708 0.5040 0.6395 0.6807 0.7303 0.7509 0.8341 0.8666 0.9188 1.0036 1.1081 1.1243 1.2122 1.3022 1.3914 1.4247 1.4882 1.5403 1.6296 1.7334 2.1308 2.1815 2.3345 2.4448 2.7845 2.8290 3.1350 3.1719 3.3584 3.4072 3.4753 3.5208 3.6920 3.7422 3.7726 3.8736 3.8832 3.9754 6.1282 6.2174 7.7025 7.7976 7.9100 8.0371 9.4059 9.5031 9.6477 9.7876 9.9784 10.1545 k = 0.0000 0.0000 0.7442 ( 11390 PWs) bands (ev): -8.0655 -8.0636 -7.9815 -7.9793 -7.9568 -7.9538 -7.9246 -7.9196 -3.1476 -3.1449 -3.1170 -3.1107 -1.6043 -1.5908 -1.4814 -1.4629 -1.3943 -1.3936 -0.8290 -0.8238 0.2942 0.3220 0.3354 0.4101 0.4693 0.4940 0.6407 0.6757 0.7268 0.7430 0.8375 0.8662 0.9262 0.9998 1.1131 1.1304 1.2211 1.3027 1.3962 1.4294 1.4815 1.5325 1.6383 1.7354 2.1032 2.1504 2.3542 2.4702 2.7457 2.8055 3.1689 3.1841 3.3809 3.4276 3.4983 3.5452 3.7155 3.7639 3.7837 3.8579 3.8867 3.9789 6.0956 6.1743 7.6876 7.7630 7.9131 8.0161 9.4443 9.5428 9.6603 9.7948 9.9928 10.1572 k = 0.0000 0.0000 0.7682 ( 11394 PWs) bands (ev): -8.0542 -8.0524 -7.9848 -7.9830 -7.9580 -7.9549 -7.9309 -7.9263 -3.1472 -3.1450 -3.1165 -3.1113 -1.6031 -1.5919 -1.4797 -1.4644 -1.3939 -1.3934 -0.8315 -0.8272 0.2917 0.3179 0.3338 0.4005 0.4684 0.4864 0.6420 0.6703 0.7242 0.7366 0.8414 0.8654 0.9339 0.9946 1.1184 1.1350 1.2311 1.3009 1.4030 1.4359 1.4744 1.5233 1.6492 1.7352 2.0790 2.1214 2.3788 2.4980 2.7004 2.7793 3.1918 3.2088 3.4001 3.4443 3.5184 3.5671 3.7240 3.7754 3.7915 3.8499 3.9009 3.9832 6.0682 6.1342 7.6737 7.7305 7.9193 7.9988 9.4821 9.5823 9.6677 9.7959 10.0044 10.1444 k = 0.0000 0.0000 0.7922 ( 11410 PWs) bands (ev): -8.0440 -8.0423 -7.9880 -7.9867 -7.9586 -7.9554 -7.9368 -7.9326 -3.1468 -3.1451 -3.1160 -3.1120 -1.6018 -1.5931 -1.4778 -1.4660 -1.3937 -1.3932 -0.8333 -0.8300 0.2905 0.3112 0.3370 0.3899 0.4681 0.4808 0.6437 0.6650 0.7225 0.7315 0.8455 0.8640 0.9418 0.9883 1.1237 1.1377 1.2418 1.2968 1.4114 1.4442 1.4668 1.5129 1.6619 1.7321 2.0602 2.0957 2.4074 2.5268 2.6557 2.7483 3.2114 3.2328 3.4166 3.4558 3.5368 3.5848 3.7187 3.7693 3.8071 3.8518 3.9204 3.9858 6.0473 6.0987 7.6621 7.7024 7.9269 7.9846 9.5189 9.6190 9.6702 9.7903 10.0147 10.1226 k = 0.0000 0.0000 0.8162 ( 11410 PWs) bands (ev): -8.0352 -8.0338 -7.9910 -7.9902 -7.9585 -7.9555 -7.9419 -7.9383 -3.1464 -3.1453 -3.1154 -3.1127 -1.6004 -1.5945 -1.4759 -1.4678 -1.3934 -1.3931 -0.8345 -0.8322 0.2906 0.3047 0.3426 0.3789 0.4685 0.4766 0.6458 0.6600 0.7217 0.7276 0.8495 0.8621 0.9498 0.9813 1.1285 1.1387 1.2528 1.2906 1.4208 1.4530 1.4598 1.5016 1.6758 1.7258 2.0484 2.0742 2.4393 2.5510 2.6189 2.7142 3.2297 3.2491 3.4311 3.4613 3.5545 3.5952 3.7115 3.7534 3.8257 3.8562 3.9401 3.9851 6.0342 6.0695 7.6544 7.6801 7.9351 7.9727 9.5538 9.6412 9.6780 9.7779 10.0255 10.0980 k = 0.0000 0.0000 0.8402 ( 11412 PWs) bands (ev): -8.0288 -8.0280 -7.9935 -7.9931 -7.9576 -7.9555 -7.9451 -7.9427 -3.1461 -3.1455 -3.1148 -3.1134 -1.5989 -1.5959 -1.4739 -1.4698 -1.3933 -1.3931 -0.8350 -0.8338 0.2921 0.2992 0.3499 0.3683 0.4696 0.4736 0.6484 0.6555 0.7219 0.7248 0.8532 0.8596 0.9579 0.9737 1.1327 1.1380 1.2635 1.2828 1.4304 1.4490 1.4661 1.4897 1.6902 1.7162 2.0441 2.0578 2.4741 2.5443 2.6164 2.6790 3.2447 3.2561 3.4440 3.4605 3.5713 3.5954 3.7116 3.7358 3.8415 3.8570 3.9575 3.9803 6.0297 6.0476 7.6516 7.6641 7.9437 7.9622 9.5857 9.6338 9.7048 9.7589 10.0384 10.0746 k = 0.0000 0.0000 0.8642 ( 11428 PWs) bands (ev): -8.0260 -8.0260 -7.9945 -7.9945 -7.9563 -7.9563 -7.9454 -7.9454 -3.1458 -3.1458 -3.1141 -3.1141 -1.5974 -1.5974 -1.4718 -1.4718 -1.3931 -1.3931 -0.8347 -0.8347 0.2950 0.2950 0.3585 0.3585 0.4712 0.4712 0.6516 0.6516 0.7229 0.7229 0.8566 0.8566 0.9659 0.9659 1.1359 1.1359 1.2736 1.2736 1.4400 1.4400 1.4777 1.4777 1.7040 1.7040 2.0474 2.0474 2.5106 2.5106 2.6447 2.6447 3.2542 3.2542 3.4542 3.4542 3.5861 3.5861 3.7206 3.7206 3.8522 3.8522 3.9711 3.9711 6.0342 6.0342 7.6547 7.6547 7.9527 7.9527 9.6131 9.6131 9.7340 9.7340 10.0545 10.0545 k = 0.0000 0.0000 0.8642 ( 11428 PWs) bands (ev): -8.0260 -8.0260 -7.9945 -7.9945 -7.9563 -7.9563 -7.9454 -7.9454 -3.1458 -3.1458 -3.1141 -3.1141 -1.5974 -1.5974 -1.4718 -1.4718 -1.3931 -1.3931 -0.8347 -0.8347 0.2950 0.2950 0.3585 0.3585 0.4712 0.4712 0.6516 0.6516 0.7229 0.7229 0.8566 0.8566 0.9659 0.9659 1.1359 1.1359 1.2736 1.2736 1.4400 1.4400 1.4777 1.4777 1.7040 1.7040 2.0474 2.0474 2.5106 2.5106 2.6447 2.6447 3.2542 3.2542 3.4542 3.4542 3.5861 3.5861 3.7206 3.7206 3.8522 3.8522 3.9711 3.9711 6.0342 6.0342 7.6547 7.6547 7.9527 7.9527 9.6131 9.6131 9.7340 9.7340 10.0545 10.0545 k =-0.0140 0.0197 0.8642 ( 11422 PWs) bands (ev): -8.0261 -8.0259 -7.9949 -7.9943 -7.9565 -7.9559 -7.9455 -7.9453 -3.1463 -3.1453 -3.1146 -3.1138 -1.5983 -1.5969 -1.4731 -1.4706 -1.3935 -1.3930 -0.8353 -0.8334 0.2918 0.2990 0.3517 0.3663 0.4685 0.4745 0.6468 0.6563 0.7131 0.7315 0.8561 0.8580 0.9631 0.9715 1.1281 1.1443 1.2720 1.2760 1.4371 1.4431 1.4761 1.4804 1.7034 1.7049 2.0453 2.0507 2.5051 2.5148 2.6409 2.6488 3.2516 3.2544 3.4516 3.4544 3.5836 3.5855 3.7173 3.7195 3.8483 3.8536 3.9662 3.9750 6.0341 6.0385 7.6563 7.6580 7.9500 7.9611 9.6041 9.6234 9.7273 9.7461 10.0499 10.0563 k =-0.0279 0.0394 0.8642 ( 11406 PWs) bands (ev): -8.0261 -8.0258 -7.9955 -7.9943 -7.9567 -7.9554 -7.9456 -7.9454 -3.1469 -3.1450 -3.1151 -3.1135 -1.5994 -1.5968 -1.4746 -1.4696 -1.3941 -1.3932 -0.8350 -0.8313 0.2895 0.3036 0.3460 0.3750 0.4662 0.4781 0.6419 0.6608 0.7028 0.7383 0.8563 0.8606 0.9633 0.9796 1.1208 1.1533 1.2711 1.2794 1.4345 1.4464 1.4757 1.4842 1.7031 1.7061 2.0442 2.0550 2.4984 2.5178 2.6374 2.6531 3.2465 3.2526 3.4468 3.4515 3.5785 3.5819 3.7098 3.7136 3.8423 3.8526 3.9605 3.9777 6.0382 6.0468 7.6630 7.6664 7.9529 7.9750 9.5936 9.6362 9.7280 9.7618 10.0426 10.0551 k =-0.0419 0.0591 0.8642 ( 11400 PWs) bands (ev): -8.0260 -8.0257 -7.9963 -7.9946 -7.9566 -7.9548 -7.9457 -7.9454 -3.1476 -3.1447 -3.1157 -3.1134 -1.6009 -1.5970 -1.4762 -1.4686 -1.3950 -1.3936 -0.8339 -0.8286 0.2883 0.3084 0.3418 0.3843 0.4643 0.4823 0.6368 0.6650 0.6924 0.7429 0.8572 0.8650 0.9663 0.9897 1.1142 1.1626 1.2710 1.2838 1.4324 1.4498 1.4766 1.4891 1.7030 1.7075 2.0441 2.0603 2.4905 2.5196 2.6343 2.6575 3.2384 3.2487 3.4403 3.4449 3.5714 3.5751 3.6985 3.7030 3.8347 3.8493 3.9541 3.9791 6.0462 6.0593 7.6745 7.6794 7.9608 7.9940 9.5791 9.6513 9.7373 9.7803 10.0334 10.0513 k =-0.0559 0.0788 0.8642 ( 11412 PWs) bands (ev): -8.0260 -8.0256 -7.9974 -7.9952 -7.9564 -7.9540 -7.9458 -7.9454 -3.1483 -3.1445 -3.1164 -3.1134 -1.6027 -1.5976 -1.4779 -1.4678 -1.3961 -1.3942 -0.8320 -0.8254 0.2882 0.3128 0.3397 0.3941 0.4628 0.4870 0.6317 0.6687 0.6824 0.7450 0.8589 0.8714 0.9718 1.0011 1.1083 1.1720 1.2715 1.2895 1.4308 1.4531 1.4786 1.4951 1.7031 1.7092 2.0451 2.0667 2.4817 2.5202 2.6315 2.6619 3.2271 3.2428 3.4323 3.4341 3.5623 3.5660 3.6837 3.6880 3.8258 3.8438 3.9470 3.9791 6.0579 6.0756 7.6903 7.6969 7.9731 8.0175 9.5589 9.6657 9.7540 9.8020 10.0238 10.0456 k =-0.0699 0.0985 0.8642 ( 11396 PWs) bands (ev): -8.0261 -8.0256 -7.9988 -7.9963 -7.9560 -7.9531 -7.9457 -7.9452 -3.1492 -3.1444 -3.1172 -3.1136 -1.6047 -1.5986 -1.4798 -1.4671 -1.3976 -1.3950 -0.8294 -0.8218 0.2892 0.3159 0.3404 0.4042 0.4618 0.4921 0.6265 0.6698 0.6755 0.7448 0.8616 0.8800 0.9793 1.0134 1.1030 1.1814 1.2727 1.2968 1.4298 1.4565 1.4817 1.5021 1.7036 1.7114 2.0471 2.0742 2.4719 2.5198 2.6292 2.6661 3.2120 3.2348 3.4187 3.4233 3.5498 3.5569 3.6657 3.6695 3.8162 3.8367 3.9393 3.9776 6.0732 6.0956 7.7101 7.7183 7.9890 8.0443 9.5319 9.6734 9.7756 9.8289 10.0137 10.0403 k =-0.0838 0.1182 0.8642 ( 11394 PWs) bands (ev): -8.0264 -8.0259 -8.0006 -7.9977 -7.9552 -7.9520 -7.9454 -7.9446 -3.1501 -3.1444 -3.1180 -3.1138 -1.6069 -1.5998 -1.4817 -1.4664 -1.3993 -1.3960 -0.8263 -0.8180 0.2913 0.3175 0.3440 0.4142 0.4615 0.4978 0.6211 0.6628 0.6772 0.7430 0.8653 0.8903 0.9881 1.0261 1.0986 1.1903 1.2747 1.3062 1.4296 1.4600 1.4860 1.5103 1.7043 1.7141 2.0501 2.0826 2.4614 2.5185 2.6271 2.6701 3.1927 3.2248 3.3990 3.4131 3.5339 3.5483 3.6442 3.6491 3.8062 3.8282 3.9308 3.9747 6.0917 6.1188 7.7333 7.7430 8.0074 8.0733 9.4977 9.6661 9.7994 9.8627 9.9964 10.0408 k =-0.0978 0.1379 0.8642 ( 11398 PWs) bands (ev): -8.0270 -8.0265 -8.0029 -7.9996 -7.9543 -7.9507 -7.9446 -7.9436 -3.1511 -3.1443 -3.1188 -3.1142 -1.6092 -1.6014 -1.4837 -1.4659 -1.4012 -1.3972 -0.8228 -0.8142 0.2944 0.3184 0.3497 0.4238 0.4621 0.5039 0.6157 0.6551 0.6800 0.7401 0.8701 0.9022 0.9975 1.0386 1.0952 1.1985 1.2776 1.3179 1.4302 1.4638 1.4914 1.5196 1.7054 1.7174 2.0541 2.0921 2.4504 2.5165 2.6254 2.6737 3.1691 3.2124 3.3753 3.4020 3.5153 3.5398 3.6202 3.6277 3.7961 3.8190 3.9214 3.9705 6.1130 6.1450 7.7592 7.7706 8.0273 8.1031 9.4554 9.6393 9.8209 9.8978 9.9618 10.0472 k =-0.1118 0.1576 0.8642 ( 11390 PWs) bands (ev): -8.0280 -8.0275 -8.0055 -8.0020 -7.9530 -7.9492 -7.9433 -7.9420 -3.1521 -3.1444 -3.1196 -3.1147 -1.6116 -1.6032 -1.4857 -1.4653 -1.4035 -1.3985 -0.8191 -0.8106 0.2986 0.3194 0.3566 0.4319 0.4645 0.5103 0.6103 0.6483 0.6826 0.7368 0.8762 0.9151 1.0069 1.0505 1.0931 1.2057 1.2812 1.3320 1.4316 1.4677 1.4980 1.5300 1.7069 1.7215 2.0590 2.1026 2.4389 2.5139 2.6239 2.6767 3.1412 3.1975 3.3485 3.3896 3.4947 3.5310 3.5951 3.6059 3.7859 3.8092 3.9113 3.9651 6.1369 6.1735 7.7872 7.8003 8.0476 8.1323 9.4050 9.5941 9.8253 9.8723 9.9623 10.0429 k =-0.1258 0.1773 0.8642 ( 11394 PWs) bands (ev): -8.0294 -8.0289 -8.0085 -8.0050 -7.9513 -7.9473 -7.9414 -7.9399 -3.1532 -3.1444 -3.1204 -3.1153 -1.6140 -1.6052 -1.4878 -1.4648 -1.4061 -1.4000 -0.8153 -0.8073 0.3036 0.3209 0.3641 0.4375 0.4694 0.5171 0.6050 0.6423 0.6847 0.7337 0.8832 0.9287 1.0160 1.0610 1.0928 1.2120 1.2856 1.3483 1.4338 1.4718 1.5060 1.5416 1.7087 1.7265 2.0648 2.1140 2.4273 2.5111 2.6226 2.6790 3.1094 3.1798 3.3193 3.3755 3.4732 3.5212 3.5708 3.5842 3.7756 3.7993 3.9002 3.9586 6.1627 6.2040 7.8166 7.8314 8.0673 8.1595 9.3468 9.5347 9.7784 9.7988 9.9946 10.0476 k =-0.1258 0.1773 0.8642 ( 11394 PWs) bands (ev): -8.0294 -8.0289 -8.0085 -8.0050 -7.9513 -7.9473 -7.9414 -7.9399 -3.1532 -3.1444 -3.1204 -3.1153 -1.6140 -1.6052 -1.4878 -1.4648 -1.4061 -1.4000 -0.8153 -0.8073 0.3036 0.3209 0.3641 0.4375 0.4694 0.5171 0.6050 0.6423 0.6847 0.7337 0.8832 0.9287 1.0160 1.0610 1.0928 1.2120 1.2856 1.3483 1.4338 1.4718 1.5060 1.5416 1.7087 1.7265 2.0648 2.1140 2.4273 2.5111 2.6226 2.6790 3.1094 3.1798 3.3193 3.3755 3.4732 3.5212 3.5708 3.5842 3.7756 3.7993 3.9002 3.9586 6.1627 6.2040 7.8166 7.8314 8.0673 8.1595 9.3468 9.5347 9.7784 9.7988 9.9946 10.0476 k =-0.1356 0.1912 0.8472 ( 11392 PWs) bands (ev): -8.0293 -8.0287 -8.0134 -8.0096 -7.9513 -7.9478 -7.9384 -7.9344 -3.1539 -3.1444 -3.1211 -3.1156 -1.6150 -1.6074 -1.4891 -1.4645 -1.4081 -1.4012 -0.8129 -0.8050 0.3060 0.3197 0.3703 0.4413 0.4742 0.5237 0.6011 0.6388 0.6874 0.7295 0.8940 0.9387 1.0188 1.0661 1.0998 1.2152 1.2925 1.3606 1.4322 1.4701 1.5158 1.5552 1.7070 1.7269 2.0758 2.1209 2.3997 2.5260 2.6023 2.7014 3.0964 3.1712 3.2860 3.3554 3.4455 3.5097 3.5523 3.5774 3.7599 3.8007 3.8932 3.9566 6.1833 6.2306 7.8426 7.8539 8.0770 8.1785 9.3045 9.4922 9.7089 9.7373 9.9989 10.0523 k =-0.1455 0.2051 0.8302 ( 11400 PWs) bands (ev): -8.0299 -8.0292 -8.0181 -8.0142 -7.9531 -7.9503 -7.9319 -7.9273 -3.1547 -3.1445 -3.1219 -3.1159 -1.6161 -1.6095 -1.4905 -1.4640 -1.4102 -1.4025 -0.8102 -0.8025 0.3093 0.3192 0.3771 0.4442 0.4798 0.5296 0.5985 0.6359 0.6903 0.7268 0.9052 0.9480 1.0212 1.0675 1.1104 1.2158 1.3001 1.3733 1.4321 1.4686 1.5264 1.5691 1.7009 1.7313 2.0896 2.1314 2.3712 2.5400 2.5873 2.7213 3.0779 3.1567 3.2555 3.3325 3.4181 3.4928 3.5363 3.5688 3.7420 3.8029 3.8833 3.9549 6.2068 6.2617 7.8683 7.8834 8.0866 8.1975 9.2540 9.4440 9.6383 9.6575 10.0021 10.0564 k =-0.1553 0.2190 0.8132 ( 11410 PWs) bands (ev): -8.0312 -8.0303 -8.0225 -8.0184 -7.9554 -7.9530 -7.9246 -7.9197 -3.1555 -3.1445 -3.1227 -3.1162 -1.6174 -1.6115 -1.4920 -1.4634 -1.4124 -1.4038 -0.8073 -0.8000 0.3135 0.3197 0.3842 0.4464 0.4857 0.5342 0.5973 0.6332 0.6938 0.7261 0.9165 0.9563 1.0233 1.0671 1.1230 1.2143 1.3081 1.3848 1.4343 1.4684 1.5370 1.5831 1.6946 1.7361 2.1056 2.1450 2.3444 2.5415 2.5869 2.7371 3.0539 3.1371 3.2294 3.3080 3.3910 3.4718 3.5205 3.5580 3.7235 3.8060 3.8715 3.9535 6.2330 6.2961 7.8941 7.9184 8.0964 8.2170 9.1955 9.3878 9.5680 9.5817 10.0034 10.0633 k =-0.1652 0.2329 0.7962 ( 11407 PWs) bands (ev): -8.0331 -8.0321 -8.0263 -8.0222 -7.9576 -7.9558 -7.9170 -7.9119 -3.1563 -3.1446 -3.1234 -3.1165 -1.6190 -1.6133 -1.4936 -1.4628 -1.4147 -1.4051 -0.8043 -0.7974 0.3183 0.3214 0.3913 0.4483 0.4916 0.5371 0.5975 0.6307 0.6982 0.7274 0.9274 0.9637 1.0251 1.0661 1.1364 1.2111 1.3159 1.3936 1.4402 1.4699 1.5475 1.5973 1.6901 1.7404 2.1227 2.1616 2.3208 2.5306 2.6002 2.7467 3.0257 3.1147 3.2070 3.2826 3.3639 3.4479 3.5029 3.5447 3.7058 3.8101 3.8586 3.9521 6.2613 6.3326 7.9206 7.9573 8.1066 8.2378 9.1304 9.3209 9.4985 9.5212 10.0026 10.0700 k =-0.1750 0.2467 0.7791 ( 11404 PWs) bands (ev): -8.0360 -8.0348 -8.0290 -8.0253 -7.9599 -7.9584 -7.9096 -7.9042 -3.1571 -3.1448 -3.1241 -3.1168 -1.6208 -1.6146 -1.4952 -1.4621 -1.4170 -1.4064 -0.8013 -0.7948 0.3230 0.3250 0.3983 0.4500 0.4970 0.5384 0.5987 0.6281 0.7031 0.7314 0.9366 0.9707 1.0266 1.0651 1.1504 1.2067 1.3233 1.3989 1.4500 1.4732 1.5579 1.6116 1.6879 1.7440 2.1396 2.1806 2.3019 2.5172 2.6160 2.7482 2.9962 3.0922 3.1873 3.2567 3.3363 3.4220 3.4825 3.5291 3.6897 3.8150 3.8455 3.9510 6.2912 6.3704 7.9477 7.9991 8.1176 8.2607 9.0607 9.2439 9.4393 9.4694 9.9998 10.0719 k =-0.1849 0.2606 0.7621 ( 11403 PWs) bands (ev): -8.0396 -8.0380 -8.0310 -8.0277 -7.9620 -7.9609 -7.9022 -7.8968 -3.1579 -3.1450 -3.1248 -3.1170 -1.6229 -1.6157 -1.4968 -1.4614 -1.4192 -1.4076 -0.7983 -0.7921 0.3269 0.3310 0.4050 0.4516 0.5019 0.5385 0.6002 0.6257 0.7080 0.7384 0.9428 0.9785 1.0277 1.0642 1.1647 1.2013 1.3298 1.4017 1.4620 1.4783 1.5683 1.6260 1.6885 1.7468 2.1540 2.2015 2.2898 2.5048 2.6299 2.7402 2.9683 3.0711 3.1692 3.2305 3.3077 3.3949 3.4592 3.5118 3.6759 3.8202 3.8331 3.9501 6.3220 6.4083 7.9746 8.0429 8.1296 8.2864 8.9891 9.1609 9.3901 9.4234 9.9951 10.0663 k =-0.1947 0.2745 0.7451 ( 11391 PWs) bands (ev): -8.0435 -8.0416 -8.0326 -8.0295 -7.9640 -7.9633 -7.8952 -7.8896 -3.1587 -3.1453 -3.1254 -3.1172 -1.6251 -1.6165 -1.4985 -1.4608 -1.4214 -1.4087 -0.7955 -0.7893 0.3314 0.3379 0.4115 0.4531 0.5059 0.5379 0.6016 0.6238 0.7122 0.7484 0.9453 0.9876 1.0281 1.0639 1.1790 1.1955 1.3356 1.4035 1.4736 1.4859 1.5791 1.6408 1.6920 1.7490 2.1633 2.2235 2.2873 2.4940 2.6393 2.7231 2.9446 3.0513 3.1514 3.2057 3.2779 3.3674 3.4327 3.4936 3.6645 3.8176 3.8295 3.9495 6.3530 6.4456 8.0012 8.0875 8.1433 8.3156 8.9179 9.0766 9.3481 9.3818 9.9879 10.0523 k =-0.2046 0.2884 0.7281 ( 11391 PWs) bands (ev): -8.0474 -8.0453 -8.0340 -8.0309 -7.9660 -7.9655 -7.8885 -7.8828 -3.1595 -3.1456 -3.1259 -3.1174 -1.6274 -1.6171 -1.5001 -1.4602 -1.4236 -1.4098 -0.7929 -0.7865 0.3368 0.3453 0.4175 0.4545 0.5089 0.5369 0.6023 0.6229 0.7158 0.7607 0.9445 0.9972 1.0282 1.0643 1.1867 1.1957 1.3407 1.4053 1.4818 1.4969 1.5908 1.6559 1.6978 1.7506 2.1662 2.2452 2.2959 2.4846 2.6424 2.6997 2.9271 3.0316 3.1310 3.1853 3.2468 3.3408 3.4031 3.4755 3.6552 3.8066 3.8357 3.9493 6.3836 6.4814 8.0269 8.1293 8.1620 8.3483 8.8490 8.9941 9.3112 9.3439 9.9780 10.0312 k =-0.2144 0.3023 0.7110 ( 11386 PWs) bands (ev): -8.0511 -8.0489 -8.0352 -8.0321 -7.9678 -7.9675 -7.8823 -7.8764 -3.1602 -3.1459 -3.1264 -3.1176 -1.6296 -1.6175 -1.5017 -1.4596 -1.4256 -1.4107 -0.7906 -0.7835 0.3428 0.3531 0.4231 0.4558 0.5109 0.5357 0.6021 0.6233 0.7189 0.7743 0.9414 1.0048 1.0294 1.0652 1.1806 1.2088 1.3456 1.4078 1.4871 1.5100 1.6034 1.6712 1.7055 1.7521 2.1643 2.2656 2.3140 2.4760 2.6376 2.6745 2.9167 3.0104 3.1053 3.1710 3.2151 3.3167 3.3708 3.4583 3.6477 3.7956 3.8427 3.9495 6.4131 6.5150 8.0518 8.1584 8.1948 8.3841 8.7840 8.9154 9.2785 9.3092 9.9644 10.0059 k =-0.2243 0.3162 0.6940 ( 11383 PWs) bands (ev): -8.0546 -8.0524 -8.0363 -8.0331 -7.9697 -7.9692 -7.8765 -7.8705 -3.1608 -3.1463 -3.1268 -3.1178 -1.6318 -1.6178 -1.5032 -1.4591 -1.4275 -1.4115 -0.7884 -0.7806 0.3494 0.3612 0.4283 0.4569 0.5120 0.5343 0.6011 0.6249 0.7216 0.7882 0.9371 1.0075 1.0342 1.0668 1.1734 1.2216 1.3507 1.4113 1.4906 1.5235 1.6167 1.6861 1.7147 1.7538 2.1603 2.2843 2.3375 2.4667 2.6255 2.6526 2.9134 2.9869 3.0754 3.1580 3.1848 3.2973 3.3366 3.4423 3.6416 3.7855 3.8497 3.9499 6.4410 6.5459 8.0755 8.1781 8.2377 8.4223 8.7242 8.8416 9.2494 9.2776 9.9442 9.9814 k =-0.2341 0.3301 0.6770 ( 11393 PWs) bands (ev): -8.0579 -8.0557 -8.0371 -8.0339 -7.9714 -7.9707 -7.8712 -7.8652 -3.1614 -3.1467 -3.1272 -3.1179 -1.6339 -1.6179 -1.5047 -1.4586 -1.4292 -1.4122 -0.7865 -0.7778 0.3563 0.3695 0.4331 0.4580 0.5121 0.5328 0.6001 0.6272 0.7240 0.8015 0.9320 1.0056 1.0421 1.0689 1.1659 1.2329 1.3562 1.4162 1.4929 1.5368 1.6299 1.6997 1.7254 1.7560 2.1562 2.3008 2.3631 2.4546 2.6090 2.6379 2.9144 2.9626 3.0433 3.1365 3.1617 3.2846 3.3017 3.4276 3.6365 3.7763 3.8566 3.9506 6.4667 6.5735 8.0978 8.1969 8.2812 8.4618 8.6710 8.7737 9.2239 9.2491 9.9147 9.9624 k =-0.2440 0.3439 0.6600 ( 11401 PWs) bands (ev): -8.0609 -8.0587 -8.0379 -8.0345 -7.9730 -7.9720 -7.8665 -7.8604 -3.1620 -3.1470 -3.1275 -3.1181 -1.6359 -1.6180 -1.5062 -1.4582 -1.4308 -1.4128 -0.7848 -0.7751 0.3635 0.3780 0.4375 0.4589 0.5115 0.5311 0.5993 0.6296 0.7260 0.8136 0.9267 1.0014 1.0502 1.0717 1.1584 1.2421 1.3623 1.4229 1.4942 1.5497 1.6419 1.7114 1.7375 1.7594 2.1528 2.3144 2.3878 2.4395 2.5922 2.6333 2.9097 2.9459 3.0102 3.1071 3.1434 3.2636 3.2830 3.4142 3.6322 3.7680 3.8630 3.9512 6.4901 6.5975 8.1185 8.2164 8.3217 8.5011 8.6256 8.7125 9.2018 9.2243 9.8790 9.9479 k =-0.2538 0.3578 0.6430 ( 11394 PWs) bands (ev): -8.0636 -8.0615 -8.0384 -8.0350 -7.9744 -7.9731 -7.8624 -7.8562 -3.1625 -3.1474 -3.1278 -3.1182 -1.6377 -1.6179 -1.5076 -1.4579 -1.4321 -1.4133 -0.7833 -0.7726 0.3707 0.3865 0.4413 0.4598 0.5101 0.5294 0.5993 0.6319 0.7275 0.8239 0.9218 0.9962 1.0570 1.0759 1.1509 1.2489 1.3686 1.4314 1.4950 1.5620 1.6517 1.7213 1.7500 1.7640 2.1504 2.3232 2.4086 2.4244 2.5787 2.6394 2.8875 2.9474 2.9769 3.0776 3.1236 3.2289 3.2854 3.4020 3.6286 3.7606 3.8688 3.9518 6.5108 6.6179 8.1371 8.2365 8.3565 8.5373 8.5910 8.6588 9.1832 9.2039 9.8407 9.9358 k =-0.2636 0.3717 0.6259 ( 11397 PWs) bands (ev): -8.0660 -8.0639 -8.0388 -8.0352 -7.9756 -7.9741 -7.8588 -7.8527 -3.1629 -3.1478 -3.1280 -3.1183 -1.6393 -1.6178 -1.5089 -1.4576 -1.4333 -1.4136 -0.7820 -0.7704 0.3776 0.3950 0.4445 0.4608 0.5080 0.5277 0.5999 0.6337 0.7284 0.8317 0.9176 0.9907 1.0617 1.0815 1.1435 1.2535 1.3746 1.4417 1.4955 1.5733 1.6587 1.7303 1.7611 1.7703 2.1487 2.3243 2.4142 2.4232 2.5727 2.6541 2.8585 2.9413 2.9575 3.0518 3.1027 3.1953 3.2924 3.3910 3.6255 3.7540 3.8738 3.9521 6.5285 6.6345 8.1536 8.2561 8.3823 8.5526 8.5840 8.6148 9.1679 9.1888 9.8024 9.9255 k =-0.2735 0.3856 0.6089 ( 11401 PWs) bands (ev): -8.0681 -8.0661 -8.0390 -8.0353 -7.9767 -7.9749 -7.8560 -7.8497 -3.1632 -3.1481 -3.1281 -3.1183 -1.6407 -1.6175 -1.5100 -1.4574 -1.4342 -1.4138 -0.7809 -0.7685 0.3839 0.4034 0.4468 0.4622 0.5056 0.5261 0.6014 0.6350 0.7283 0.8369 0.9142 0.9854 1.0649 1.0877 1.1363 1.2559 1.3797 1.4531 1.4961 1.5831 1.6633 1.7387 1.7689 1.7781 2.1474 2.3171 2.4137 2.4290 2.5766 2.6739 2.8293 2.9086 2.9623 3.0336 3.0819 3.1645 3.3018 3.3814 3.6230 3.7481 3.8779 3.9521 6.5433 6.6476 8.1677 8.2738 8.3963 8.5400 8.5789 8.6140 9.1559 9.1799 9.7658 9.9169 k =-0.2833 0.3995 0.5919 ( 11403 PWs) bands (ev): -8.0698 -8.0679 -8.0390 -8.0352 -7.9776 -7.9755 -7.8537 -7.8475 -3.1635 -3.1484 -3.1282 -3.1184 -1.6420 -1.6172 -1.5111 -1.4573 -1.4349 -1.4139 -0.7800 -0.7668 0.3893 0.4117 0.4480 0.4639 0.5031 0.5247 0.6035 0.6357 0.7273 0.8396 0.9117 0.9805 1.0673 1.0936 1.1298 1.2567 1.3838 1.4640 1.4978 1.5910 1.6666 1.7461 1.7740 1.7850 2.1462 2.3057 2.4185 2.4312 2.5887 2.6937 2.8041 2.8765 2.9590 3.0282 3.0630 3.1378 3.3118 3.3732 3.6208 3.7429 3.8809 3.9516 6.5549 6.6571 8.1795 8.2877 8.3996 8.5216 8.5686 8.6380 9.1479 9.1773 9.7328 9.9101 k =-0.2932 0.4134 0.5749 ( 11395 PWs) bands (ev): -8.0712 -8.0694 -8.0388 -8.0349 -7.9782 -7.9760 -7.8521 -7.8459 -3.1637 -3.1486 -3.1283 -3.1184 -1.6430 -1.6167 -1.5120 -1.4572 -1.4353 -1.4140 -0.7793 -0.7656 0.3935 0.4197 0.4480 0.4660 0.5010 0.5233 0.6063 0.6360 0.7251 0.8401 0.9095 0.9763 1.0693 1.0981 1.1244 1.2560 1.3866 1.4720 1.5020 1.5964 1.6694 1.7520 1.7774 1.7891 2.1453 2.2947 2.4201 2.4394 2.6043 2.7044 2.7895 2.8479 2.9469 3.0342 3.0480 3.1167 3.3217 3.3670 3.6190 3.7382 3.8828 3.9505 6.5633 6.6634 8.1888 8.2960 8.3984 8.5007 8.5725 8.6561 9.1447 9.1807 9.7051 9.9052 k =-0.3030 0.4272 0.5578 ( 11399 PWs) bands (ev): -8.0722 -8.0705 -8.0384 -8.0344 -7.9787 -7.9762 -7.8512 -7.8450 -3.1638 -3.1488 -3.1282 -3.1185 -1.6438 -1.6162 -1.5127 -1.4572 -1.4355 -1.4139 -0.7789 -0.7647 0.3965 0.4273 0.4466 0.4683 0.4995 0.5221 0.6092 0.6360 0.7217 0.8390 0.9072 0.9730 1.0711 1.0997 1.1216 1.2541 1.3881 1.4755 1.5094 1.5991 1.6719 1.7560 1.7792 1.7898 2.1448 2.2866 2.4197 2.4533 2.6185 2.6974 2.7865 2.8305 2.9321 3.0354 3.0485 3.1026 3.3303 3.3632 3.6176 3.7341 3.8835 3.9488 6.5684 6.6665 8.1958 8.2973 8.3983 8.4836 8.5788 8.6662 9.1468 9.1895 9.6844 9.9022 k =-0.3129 0.4411 0.5408 ( 11396 PWs) bands (ev): -8.0729 -8.0713 -8.0377 -8.0337 -7.9790 -7.9763 -7.8510 -7.8448 -3.1638 -3.1489 -3.1282 -3.1185 -1.6444 -1.6157 -1.5133 -1.4573 -1.4355 -1.4137 -0.7787 -0.7642 0.3982 0.4343 0.4439 0.4705 0.4989 0.5213 0.6119 0.6362 0.7172 0.8368 0.9043 0.9708 1.0728 1.0974 1.1222 1.2512 1.3884 1.4757 1.5178 1.5994 1.6733 1.7569 1.7794 1.7886 2.1452 2.2821 2.4213 2.4693 2.6250 2.6833 2.7745 2.8357 2.9199 3.0329 3.0606 3.0979 3.3365 3.3631 3.6165 3.7304 3.8829 3.9466 6.5703 6.6668 8.2000 8.2919 8.4023 8.4722 8.5818 8.6680 9.1540 9.2028 9.6722 9.9008 k =-0.3129 0.4411 0.5408 ( 11396 PWs) bands (ev): -8.0729 -8.0713 -8.0377 -8.0337 -7.9790 -7.9763 -7.8510 -7.8448 -3.1638 -3.1489 -3.1282 -3.1185 -1.6444 -1.6157 -1.5133 -1.4573 -1.4355 -1.4137 -0.7787 -0.7642 0.3982 0.4343 0.4439 0.4705 0.4989 0.5213 0.6119 0.6362 0.7172 0.8368 0.9043 0.9708 1.0728 1.0974 1.1222 1.2512 1.3884 1.4757 1.5178 1.5994 1.6733 1.7569 1.7794 1.7886 2.1452 2.2821 2.4213 2.4693 2.6250 2.6833 2.7745 2.8357 2.9199 3.0329 3.0606 3.0979 3.3365 3.3631 3.6165 3.7304 3.8829 3.9466 6.5703 6.6668 8.2000 8.2919 8.4023 8.4722 8.5818 8.6680 9.1540 9.2028 9.6722 9.9008 k =-0.3031 0.4273 0.5239 ( 11396 PWs) bands (ev): -8.0764 -8.0753 -8.0305 -8.0262 -7.9826 -7.9795 -7.8510 -7.8447 -3.1638 -3.1492 -3.1271 -3.1176 -1.6433 -1.6154 -1.5114 -1.4571 -1.4324 -1.4117 -0.7709 -0.7579 0.3965 0.4316 0.4465 0.4688 0.5000 0.5166 0.6111 0.6322 0.7202 0.8441 0.9051 0.9644 1.0689 1.0835 1.1220 1.2446 1.3853 1.4764 1.5157 1.6001 1.6580 1.7418 1.7676 1.7781 2.1430 2.2831 2.4072 2.4688 2.6285 2.6748 2.7621 2.8252 2.9321 3.0115 3.0784 3.0958 3.3608 3.3923 3.6135 3.7272 3.8830 3.9505 6.5814 6.6751 8.2021 8.2969 8.4439 8.5103 8.6228 8.7130 9.2371 9.2875 9.7515 9.8723 k =-0.2933 0.4136 0.5070 ( 11404 PWs) bands (ev): -8.0828 -8.0820 -8.0230 -8.0184 -7.9835 -7.9802 -7.8510 -7.8446 -3.1636 -3.1494 -3.1261 -3.1167 -1.6418 -1.6151 -1.5094 -1.4572 -1.4294 -1.4100 -0.7636 -0.7522 0.3944 0.4280 0.4489 0.4678 0.5026 0.5128 0.6107 0.6281 0.7233 0.8500 0.9058 0.9591 1.0606 1.0723 1.1224 1.2406 1.3828 1.4768 1.5135 1.5993 1.6441 1.7265 1.7562 1.7690 2.1398 2.2842 2.3917 2.4647 2.6282 2.6624 2.7514 2.8222 2.9326 2.9934 3.1000 3.1101 3.3827 3.4271 3.6083 3.7228 3.8806 3.9513 6.5925 6.6821 8.1997 8.2953 8.4888 8.5505 8.6618 8.7542 9.3149 9.3683 9.8052 9.8318 k =-0.2836 0.3998 0.4901 ( 11406 PWs) bands (ev): -8.0916 -8.0910 -8.0153 -8.0105 -7.9822 -7.9787 -7.8511 -7.8445 -3.1634 -3.1496 -3.1250 -3.1159 -1.6401 -1.6146 -1.5074 -1.4574 -1.4265 -1.4085 -0.7571 -0.7471 0.3917 0.4242 0.4506 0.4682 0.5059 0.5103 0.6108 0.6239 0.7265 0.8530 0.9066 0.9563 1.0489 1.0653 1.1218 1.2389 1.3808 1.4765 1.5112 1.5967 1.6319 1.7117 1.7454 1.7610 2.1357 2.2853 2.3752 2.4560 2.6230 2.6488 2.7432 2.8265 2.9198 2.9836 3.1219 3.1406 3.4028 3.4645 3.6015 3.7178 3.8759 3.9489 6.6036 6.6875 8.1929 8.2883 8.5350 8.5923 8.6990 8.7914 9.3847 9.4421 9.7896 9.8323 k =-0.2738 0.3860 0.4732 ( 11408 PWs) bands (ev): -8.1023 -8.1017 -8.0074 -8.0024 -7.9790 -7.9754 -7.8511 -7.8445 -3.1629 -3.1497 -3.1239 -3.1152 -1.6380 -1.6140 -1.5054 -1.4578 -1.4239 -1.4073 -0.7515 -0.7427 0.3884 0.4206 0.4516 0.4698 0.5077 0.5111 0.6112 0.6198 0.7295 0.8520 0.9085 0.9566 1.0375 1.0593 1.1199 1.2386 1.3792 1.4753 1.5089 1.5919 1.6218 1.6977 1.7354 1.7539 2.1310 2.2866 2.3582 2.4428 2.6082 2.6407 2.7369 2.8363 2.9001 2.9812 3.1491 3.1768 3.4203 3.5017 3.5951 3.7127 3.8700 3.9432 6.6141 6.6911 8.1817 8.2768 8.5805 8.6349 8.7352 8.8247 9.4437 9.5043 9.7561 9.8315 k =-0.2640 0.3722 0.4563 ( 11402 PWs) bands (ev): -8.1143 -8.1138 -7.9993 -7.9943 -7.9746 -7.9710 -7.8511 -7.8444 -3.1624 -3.1498 -3.1228 -3.1146 -1.6358 -1.6133 -1.5034 -1.4584 -1.4214 -1.4063 -0.7470 -0.7388 0.3847 0.4175 0.4524 0.4717 0.5084 0.5151 0.6119 0.6159 0.7324 0.8472 0.9118 0.9594 1.0280 1.0538 1.1169 1.2392 1.3780 1.4731 1.5069 1.5847 1.6141 1.6847 1.7265 1.7476 2.1257 2.2881 2.3409 2.4260 2.5857 2.6379 2.7317 2.8449 2.8844 2.9844 3.1791 3.2163 3.4337 3.5312 3.5966 3.7076 3.8643 3.9342 6.6237 6.6927 8.1666 8.2611 8.6230 8.6771 8.7721 8.8550 9.4892 9.5491 9.7281 9.8177 k =-0.2542 0.3584 0.4394 ( 11396 PWs) bands (ev): -8.1272 -8.1267 -7.9912 -7.9860 -7.9692 -7.9656 -7.8511 -7.8444 -3.1617 -3.1497 -3.1218 -3.1140 -1.6332 -1.6124 -1.5015 -1.4592 -1.4192 -1.4056 -0.7436 -0.7357 0.3806 0.4151 0.4532 0.4733 0.5104 0.5196 0.6112 0.6141 0.7349 0.8400 0.9161 0.9624 1.0218 1.0489 1.1132 1.2403 1.3769 1.4701 1.5049 1.5755 1.6086 1.6727 1.7188 1.7419 2.1201 2.2897 2.3237 2.4070 2.5603 2.6366 2.7268 2.8352 2.8913 2.9932 3.2090 3.2578 3.4414 3.5394 3.6201 3.7022 3.8610 3.9222 6.6318 6.6920 8.1480 8.2420 8.6597 8.7169 8.8119 8.8838 9.5189 9.5710 9.7051 9.7966 k =-0.2444 0.3446 0.4225 ( 11392 PWs) bands (ev): -8.1407 -8.1401 -7.9830 -7.9778 -7.9633 -7.9597 -7.8511 -7.8444 -3.1609 -3.1496 -3.1208 -3.1135 -1.6305 -1.6114 -1.4997 -1.4600 -1.4173 -1.4051 -0.7413 -0.7333 0.3764 0.4134 0.4541 0.4748 0.5137 0.5245 0.6081 0.6155 0.7370 0.8320 0.9212 0.9628 1.0192 1.0454 1.1092 1.2416 1.3756 1.4667 1.5029 1.5649 1.6050 1.6617 1.7122 1.7369 2.1142 2.2911 2.3069 2.3876 2.5338 2.6350 2.7216 2.8144 2.9138 3.0075 3.2358 3.3004 3.4425 3.5342 3.6591 3.6949 3.8630 3.9074 6.6376 6.6887 8.1266 8.2201 8.6887 8.7516 8.8567 8.9135 9.5310 9.5712 9.6809 9.7697 k =-0.2347 0.3308 0.4056 ( 11392 PWs) bands (ev): -8.1546 -8.1539 -7.9748 -7.9695 -7.9570 -7.9534 -7.8511 -7.8445 -3.1600 -3.1494 -3.1198 -3.1130 -1.6275 -1.6102 -1.4979 -1.4610 -1.4156 -1.4049 -0.7402 -0.7317 0.3723 0.4124 0.4550 0.4764 0.5178 0.5299 0.6051 0.6178 0.7386 0.8244 0.9269 0.9592 1.0186 1.0450 1.1057 1.2429 1.3738 1.4631 1.5006 1.5536 1.6027 1.6517 1.7067 1.7324 2.1080 2.2894 2.2928 2.3698 2.5071 2.6325 2.7160 2.7930 2.9415 3.0271 3.2565 3.3426 3.4366 3.5293 3.6810 3.7059 3.8726 3.8905 6.6403 6.6824 8.1031 8.1961 8.7093 8.7786 8.9068 8.9465 9.5222 9.5601 9.6458 9.7381 k =-0.2249 0.3171 0.3887 ( 11400 PWs) bands (ev): -8.1685 -8.1679 -7.9666 -7.9613 -7.9504 -7.9469 -7.8511 -7.8445 -3.1591 -3.1492 -3.1189 -3.1126 -1.6244 -1.6089 -1.4963 -1.4620 -1.4142 -1.4049 -0.7403 -0.7311 0.3684 0.4120 0.4556 0.4788 0.5220 0.5358 0.6028 0.6207 0.7396 0.8180 0.9331 0.9526 1.0166 1.0482 1.1040 1.2441 1.3712 1.4598 1.4979 1.5421 1.6013 1.6432 1.7020 1.7287 2.1015 2.2744 2.2909 2.3561 2.4804 2.6284 2.7096 2.7739 2.9713 3.0512 3.2678 3.3808 3.4256 3.5317 3.6659 3.7511 3.8725 3.8907 6.6387 6.6729 8.0784 8.1708 8.7226 8.7968 8.9607 8.9835 9.4919 9.5435 9.5973 9.7040 k =-0.2151 0.3033 0.3718 ( 11402 PWs) bands (ev): -8.1825 -8.1819 -7.9585 -7.9532 -7.9436 -7.9402 -7.8510 -7.8446 -3.1580 -3.1489 -3.1180 -3.1123 -1.6211 -1.6074 -1.4947 -1.4631 -1.4130 -1.4051 -0.7414 -0.7315 0.3647 0.4121 0.4561 0.4823 0.5259 0.5424 0.6013 0.6245 0.7400 0.8134 0.9393 0.9448 1.0128 1.0518 1.1060 1.2454 1.3677 1.4570 1.4943 1.5312 1.5999 1.6368 1.6980 1.7257 2.0946 2.2588 2.2872 2.3486 2.4542 2.6219 2.7026 2.7584 3.0017 3.0792 3.2676 3.3939 3.4297 3.5438 3.6481 3.7953 3.8572 3.9156 6.6313 6.6603 8.0535 8.1448 8.7298 8.8070 9.0161 9.0230 9.4457 9.5077 9.5514 9.6712 k =-0.2053 0.2895 0.3549 ( 11406 PWs) bands (ev): -8.1964 -8.1957 -7.9504 -7.9451 -7.9368 -7.9335 -7.8510 -7.8447 -3.1568 -3.1485 -3.1172 -3.1120 -1.6178 -1.6058 -1.4933 -1.4643 -1.4122 -1.4056 -0.7435 -0.7330 0.3614 0.4126 0.4566 0.4869 0.5294 0.5492 0.6007 0.6290 0.7396 0.8108 0.9342 0.9477 1.0082 1.0522 1.1127 1.2470 1.3630 1.4548 1.4895 1.5216 1.5973 1.6332 1.6946 1.7236 2.0874 2.2429 2.2821 2.3472 2.4287 2.6123 2.6956 2.7468 3.0306 3.1102 3.2561 3.3770 3.4524 3.5628 3.6344 3.8193 3.8644 3.9460 6.6169 6.6444 8.0295 8.1190 8.7321 8.8104 9.0607 9.0693 9.3892 9.4416 9.5261 9.6430 k =-0.1956 0.2757 0.3380 ( 11402 PWs) bands (ev): -8.2101 -8.2095 -7.9425 -7.9372 -7.9300 -7.9268 -7.8510 -7.8448 -3.1556 -3.1481 -3.1165 -3.1118 -1.6143 -1.6041 -1.4920 -1.4655 -1.4116 -1.4062 -0.7465 -0.7355 0.3584 0.4131 0.4576 0.4926 0.5326 0.5561 0.6012 0.6344 0.7385 0.8103 0.9244 0.9547 1.0040 1.0493 1.1228 1.2490 1.3573 1.4531 1.4827 1.5144 1.5934 1.6324 1.6921 1.7227 2.0799 2.2268 2.2779 2.3499 2.4040 2.5991 2.6897 2.7387 3.0553 3.1432 3.2350 3.3586 3.4633 3.5765 3.6391 3.8145 3.9056 3.9801 6.5949 6.6246 8.0071 8.0939 8.7304 8.8083 9.0890 9.1119 9.3331 9.3704 9.5086 9.6210 k =-0.1858 0.2619 0.3211 ( 11404 PWs) bands (ev): -8.2235 -8.2229 -7.9347 -7.9295 -7.9233 -7.9201 -7.8509 -7.8449 -3.1544 -3.1476 -3.1158 -3.1116 -1.6107 -1.6022 -1.4908 -1.4668 -1.4114 -1.4070 -0.7504 -0.7390 0.3557 0.4134 0.4594 0.4993 0.5357 0.5626 0.6030 0.6407 0.7368 0.8118 0.9143 0.9608 1.0014 1.0442 1.1338 1.2518 1.3507 1.4517 1.4741 1.5099 1.5885 1.6334 1.6906 1.7230 2.0726 2.2108 2.2757 2.3548 2.3805 2.5826 2.6856 2.7334 3.0718 3.1768 3.2065 3.3463 3.4572 3.5753 3.6698 3.8125 3.9528 4.0167 6.5657 6.5996 7.9870 8.0700 8.7253 8.8013 9.0909 9.1220 9.2992 9.3194 9.4976 9.6052 k =-0.1760 0.2481 0.3042 ( 11394 PWs) bands (ev): -8.2367 -8.2360 -7.9271 -7.9220 -7.9166 -7.9136 -7.8508 -7.8450 -3.1531 -3.1470 -3.1152 -3.1115 -1.6072 -1.6002 -1.4898 -1.4680 -1.4114 -1.4079 -0.7550 -0.7434 0.3532 0.4133 0.4625 0.5068 0.5388 0.5687 0.6059 0.6480 0.7347 0.8152 0.9042 0.9644 1.0021 1.0382 1.1438 1.2557 1.3435 1.4503 1.4644 1.5074 1.5835 1.6347 1.6907 1.7250 2.0656 2.1955 2.2755 2.3562 2.3628 2.5633 2.6833 2.7300 3.0763 3.1722 3.2096 3.3443 3.4386 3.5657 3.7128 3.8216 4.0007 4.0548 6.5297 6.5683 7.9698 8.0476 8.7174 8.7899 9.0489 9.0814 9.2865 9.3266 9.4965 9.5962 k =-0.1662 0.2343 0.2873 ( 11398 PWs) bands (ev): -8.2494 -8.2488 -7.9198 -7.9148 -7.9101 -7.9072 -7.8508 -7.8452 -3.1518 -3.1465 -3.1147 -3.1113 -1.6037 -1.5981 -1.4889 -1.4693 -1.4118 -1.4088 -0.7603 -0.7487 0.3510 0.4124 0.4668 0.5150 0.5418 0.5742 0.6100 0.6562 0.7321 0.8200 0.8944 0.9644 1.0069 1.0320 1.1518 1.2606 1.3361 1.4479 1.4556 1.5061 1.5790 1.6352 1.6928 1.7286 2.0593 2.1815 2.2763 2.3375 2.3677 2.5422 2.6824 2.7282 3.0672 3.1346 3.2369 3.3538 3.4171 3.5497 3.7609 3.8426 4.0482 4.0937 6.4875 6.5301 7.9553 8.0267 8.7072 8.7740 8.9772 9.0108 9.2900 9.3617 9.5090 9.5948 k =-0.1564 0.2206 0.2704 ( 11390 PWs) bands (ev): -8.2616 -8.2610 -7.9127 -7.9079 -7.9037 -7.9010 -7.8507 -7.8453 -3.1504 -3.1459 -3.1142 -3.1113 -1.6002 -1.5958 -1.4881 -1.4705 -1.4126 -1.4097 -0.7662 -0.7547 0.3489 0.4109 0.4726 0.5238 0.5450 0.5793 0.6149 0.6653 0.7292 0.8256 0.8855 0.9618 1.0138 1.0270 1.1572 1.2660 1.3293 1.4405 1.4523 1.5055 1.5752 1.6343 1.6972 1.7342 2.0539 2.1692 2.2757 2.3218 2.3734 2.5195 2.6820 2.7277 3.0459 3.0956 3.2513 3.3700 3.4045 3.5304 3.8114 3.8733 4.0949 4.1329 6.4395 6.4850 7.9434 8.0073 8.6950 8.7536 8.8953 8.9315 9.2978 9.3965 9.5364 9.6020 k =-0.1467 0.2068 0.2535 ( 11372 PWs) bands (ev): -8.2734 -8.2728 -7.9058 -7.9012 -7.8975 -7.8950 -7.8506 -7.8455 -3.1491 -3.1452 -3.1138 -3.1112 -1.5970 -1.5933 -1.4874 -1.4717 -1.4136 -1.4106 -0.7725 -0.7613 0.3471 0.4087 0.4795 0.5329 0.5484 0.5842 0.6205 0.6750 0.7261 0.8311 0.8786 0.9580 1.0143 1.0304 1.1600 1.2706 1.3240 1.4306 1.4526 1.5055 1.5724 1.6319 1.7039 1.7414 2.0498 2.1586 2.2692 2.3143 2.3783 2.4957 2.6815 2.7285 3.0150 3.0580 3.2449 3.3796 3.4150 3.5150 3.8636 3.9107 4.1405 4.1718 6.3862 6.4334 7.9332 7.9891 8.6798 8.7277 8.8121 8.8543 9.3047 9.4235 9.5748 9.6177 k =-0.1369 0.1930 0.2366 ( 11360 PWs) bands (ev): -8.2846 -8.2840 -7.8993 -7.8950 -7.8915 -7.8893 -7.8505 -7.8457 -3.1478 -3.1446 -3.1134 -3.1112 -1.5940 -1.5906 -1.4868 -1.4728 -1.4148 -1.4115 -0.7792 -0.7683 0.3455 0.4060 0.4875 0.5422 0.5518 0.5890 0.6264 0.6852 0.7229 0.8342 0.8756 0.9540 1.0089 1.0407 1.1608 1.2724 1.3218 1.4206 1.4543 1.5059 1.5705 1.6283 1.7127 1.7503 2.0467 2.1498 2.2561 2.3153 2.3818 2.4709 2.6797 2.7307 2.9769 3.0238 3.2210 3.3742 3.4436 3.5136 3.9168 3.9528 4.1846 4.2101 6.3282 6.3759 7.9237 7.9721 8.6560 8.6936 8.7354 8.7886 9.3111 9.4427 9.6161 9.6407 k =-0.1271 0.1792 0.2197 ( 11354 PWs) bands (ev): -8.2952 -8.2947 -7.8931 -7.8891 -7.8857 -7.8838 -7.8503 -7.8459 -3.1466 -3.1439 -3.1132 -3.1112 -1.5912 -1.5878 -1.4863 -1.4739 -1.4161 -1.4125 -0.7861 -0.7757 0.3441 0.4028 0.4963 0.5515 0.5555 0.5939 0.6325 0.6953 0.7196 0.8329 0.8785 0.9503 1.0030 1.0522 1.1598 1.2702 1.3232 1.4110 1.4576 1.5069 1.5694 1.6239 1.7231 1.7606 2.0447 2.1429 2.2402 2.3205 2.3836 2.4454 2.6756 2.7339 2.9350 2.9937 3.1886 3.3535 3.4781 3.5295 3.9709 3.9983 4.2270 4.2475 6.2662 6.3133 7.9138 7.9560 8.6097 8.6361 8.6918 8.7422 9.3181 9.4564 9.6491 9.6707 k =-0.1173 0.1654 0.2028 ( 11352 PWs) bands (ev): -8.3052 -8.3047 -7.8873 -7.8836 -7.8802 -7.8787 -7.8502 -7.8461 -3.1454 -3.1432 -3.1129 -3.1112 -1.5887 -1.5849 -1.4859 -1.4749 -1.4175 -1.4135 -0.7931 -0.7833 0.3429 0.3993 0.5056 0.5591 0.5606 0.5989 0.6385 0.7038 0.7176 0.8281 0.8866 0.9473 0.9973 1.0636 1.1576 1.2650 1.3272 1.4019 1.4625 1.5088 1.5690 1.6191 1.7350 1.7720 2.0433 2.1375 2.2240 2.3270 2.3830 2.4199 2.6683 2.7374 2.8928 2.9680 3.1533 3.3227 3.5147 3.5556 4.0255 4.0462 4.2673 4.2836 6.2009 6.2466 7.9024 7.9407 8.5451 8.5636 8.6758 8.7118 9.3262 9.4668 9.6710 9.7002 k =-0.1076 0.1516 0.1859 ( 11350 PWs) bands (ev): -8.3145 -8.3140 -7.8819 -7.8786 -7.8751 -7.8738 -7.8501 -7.8463 -3.1442 -3.1426 -3.1128 -3.1112 -1.5862 -1.5821 -1.4856 -1.4759 -1.4189 -1.4146 -0.8001 -0.7909 0.3420 0.3956 0.5152 0.5630 0.5694 0.6039 0.6445 0.7062 0.7208 0.8216 0.8975 0.9452 0.9924 1.0744 1.1544 1.2581 1.3320 1.3934 1.4691 1.5118 1.5693 1.6140 1.7482 1.7845 2.0423 2.1332 2.2089 2.3328 2.3764 2.3984 2.6573 2.7386 2.8541 2.9472 3.1177 3.2872 3.5514 3.5856 4.0807 4.0959 4.3054 4.3183 6.1333 6.1767 7.8888 7.9260 8.4764 8.4922 8.6674 8.6905 9.3354 9.4750 9.6858 9.7188 k =-0.0978 0.1379 0.1690 ( 11334 PWs) bands (ev): -8.3231 -8.3227 -7.8770 -7.8739 -7.8702 -7.8693 -7.8499 -7.8465 -3.1431 -3.1419 -3.1126 -3.1112 -1.5839 -1.5795 -1.4852 -1.4768 -1.4202 -1.4157 -0.8069 -0.7985 0.3414 0.3917 0.5249 0.5670 0.5778 0.6090 0.6504 0.7031 0.7281 0.8148 0.9094 0.9444 0.9888 1.0842 1.1506 1.2506 1.3365 1.3858 1.4774 1.5162 1.5701 1.6091 1.7625 1.7980 2.0411 2.1289 2.1959 2.3343 2.3588 2.3892 2.6425 2.7322 2.8254 2.9318 3.0835 3.2500 3.5871 3.6164 4.1361 4.1470 4.3408 4.3512 6.0641 6.1049 7.8734 7.9111 8.4098 8.4244 8.6624 8.6755 9.3456 9.4815 9.6948 9.7256 k =-0.0880 0.1241 0.1521 ( 11336 PWs) bands (ev): -8.3309 -8.3306 -7.8724 -7.8696 -7.8658 -7.8652 -7.8497 -7.8467 -3.1422 -3.1412 -3.1125 -3.1113 -1.5817 -1.5770 -1.4850 -1.4776 -1.4214 -1.4169 -0.8134 -0.8058 0.3411 0.3876 0.5346 0.5710 0.5857 0.6140 0.6559 0.6987 0.7352 0.8081 0.9202 0.9458 0.9872 1.0929 1.1461 1.2431 1.3398 1.3790 1.4871 1.5221 1.5714 1.6044 1.7780 1.8123 2.0393 2.1232 2.1860 2.3190 2.3481 2.3862 2.6247 2.7126 2.8130 2.9216 3.0513 3.2127 3.6210 3.6461 4.1914 4.1990 4.3735 4.3822 5.9944 6.0321 7.8569 7.8955 8.3476 8.3611 8.6592 8.6662 9.3563 9.4862 9.6991 9.7246 k =-0.0782 0.1103 0.1352 ( 11330 PWs) bands (ev): -8.3380 -8.3377 -7.8684 -7.8657 -7.8617 -7.8614 -7.8495 -7.8468 -3.1413 -3.1406 -3.1124 -3.1114 -1.5796 -1.5748 -1.4847 -1.4784 -1.4225 -1.4180 -0.8195 -0.8127 0.3412 0.3836 0.5439 0.5750 0.5931 0.6189 0.6610 0.6941 0.7410 0.8018 0.9274 0.9493 0.9897 1.1003 1.1414 1.2358 1.3418 1.3734 1.4981 1.5294 1.5733 1.6001 1.7947 1.8277 2.0367 2.1148 2.1798 2.2920 2.3432 2.3854 2.6049 2.6840 2.8134 2.9162 3.0220 3.1762 3.6525 3.6740 4.2462 4.2513 4.4031 4.4111 5.9253 5.9595 7.8400 7.8789 8.2909 8.3032 8.6560 8.6633 9.3671 9.4891 9.7002 9.7201 k =-0.0684 0.0965 0.1183 ( 11334 PWs) bands (ev): -8.3444 -8.3441 -7.8648 -7.8622 -7.8581 -7.8581 -7.8493 -7.8470 -3.1406 -3.1400 -3.1124 -3.1114 -1.5776 -1.5729 -1.4845 -1.4791 -1.4235 -1.4192 -0.8252 -0.8191 0.3416 0.3795 0.5527 0.5790 0.5999 0.6237 0.6651 0.6896 0.7454 0.7960 0.9310 0.9524 0.9982 1.1065 1.1364 1.2286 1.3423 1.3688 1.5101 1.5377 1.5756 1.5961 1.8124 1.8439 2.0333 2.1037 2.1762 2.2635 2.3354 2.3854 2.5849 2.6544 2.8195 2.9145 2.9957 3.1411 3.6812 3.6993 4.2997 4.3033 4.4296 4.4375 5.8578 5.8884 7.8236 7.8616 8.2400 8.2510 8.6543 8.6640 9.3778 9.4898 9.6992 9.7151 k =-0.0587 0.0827 0.1014 ( 11332 PWs) bands (ev): -8.3499 -8.3496 -7.8617 -7.8592 -7.8553 -7.8550 -7.8490 -7.8471 -3.1399 -3.1394 -3.1123 -3.1115 -1.5757 -1.5713 -1.4842 -1.4797 -1.4242 -1.4203 -0.8302 -0.8250 0.3424 0.3755 0.5609 0.5829 0.6059 0.6283 0.6676 0.6863 0.7484 0.7906 0.9331 0.9532 1.0122 1.1116 1.1315 1.2213 1.3419 1.3650 1.5228 1.5464 1.5785 1.5926 1.8312 1.8611 2.0293 2.0903 2.1725 2.2366 2.3253 2.3840 2.5667 2.6278 2.8277 2.9155 2.9728 3.1080 3.7066 3.7217 4.3508 4.3540 4.4532 4.4613 5.7933 5.8201 7.8084 7.8441 8.1955 8.2051 8.6548 8.6661 9.3882 9.4883 9.6973 9.7109 k =-0.0489 0.0689 0.0845 ( 11328 PWs) bands (ev): -8.3546 -8.3544 -7.8591 -7.8566 -7.8530 -7.8524 -7.8485 -7.8471 -3.1394 -3.1389 -3.1123 -3.1116 -1.5740 -1.5700 -1.4840 -1.4803 -1.4249 -1.4213 -0.8346 -0.8302 0.3435 0.3715 0.5684 0.5865 0.6111 0.6327 0.6678 0.6848 0.7505 0.7856 0.9347 0.9523 1.0289 1.1153 1.1275 1.2136 1.3412 1.3617 1.5356 1.5546 1.5818 1.5894 1.8509 1.8792 2.0249 2.0756 2.1652 2.2133 2.3149 2.3794 2.5523 2.6056 2.8367 2.9181 2.9538 3.0774 3.7286 3.7408 4.3982 4.4020 4.4737 4.4823 5.7335 5.7563 7.7951 7.8270 8.1576 8.1657 8.6572 8.6687 9.3984 9.4847 9.6953 9.7075 k =-0.0391 0.0551 0.0676 ( 11330 PWs) bands (ev): -8.3585 -8.3583 -7.8570 -7.8544 -7.8515 -7.8504 -7.8478 -7.8470 -3.1389 -3.1385 -3.1122 -3.1117 -1.5725 -1.5691 -1.4837 -1.4808 -1.4253 -1.4223 -0.8382 -0.8347 0.3449 0.3677 0.5751 0.5896 0.6155 0.6363 0.6665 0.6846 0.7522 0.7809 0.9363 0.9508 1.0460 1.1156 1.1273 1.2052 1.3406 1.3585 1.5481 1.5618 1.5854 1.5866 1.8711 1.8978 2.0209 2.0600 2.1525 2.1942 2.3071 2.3711 2.5431 2.5879 2.8458 2.9191 2.9410 3.0495 3.7470 3.7565 4.4400 4.4451 4.4916 4.5008 5.6802 5.6989 7.7842 7.8111 8.1264 8.1330 8.6607 8.6713 9.4083 9.4792 9.6939 9.7047 k =-0.0293 0.0414 0.0507 ( 11330 PWs) bands (ev): -8.3615 -8.3614 -7.8553 -7.8529 -7.8506 -7.8491 -7.8469 -7.8466 -3.1385 -3.1382 -3.1122 -3.1117 -1.5711 -1.5685 -1.4835 -1.4813 -1.4255 -1.4232 -0.8409 -0.8383 0.3468 0.3640 0.5809 0.5920 0.6194 0.6382 0.6660 0.6841 0.7541 0.7764 0.9379 0.9490 1.0620 1.1119 1.1321 1.1957 1.3407 1.3553 1.5594 1.5680 1.5839 1.5888 1.8912 1.9159 2.0175 2.0443 2.1377 2.1765 2.3040 2.3597 2.5391 2.5739 2.8549 2.9126 2.9399 3.0247 3.7617 3.7686 4.4735 4.4797 4.5083 4.5178 5.6356 5.6499 7.7761 7.7971 8.1022 8.1072 8.6646 8.6733 9.4180 9.4723 9.6935 9.7024 k =-0.0196 0.0276 0.0338 ( 11320 PWs) bands (ev): -8.3636 -8.3635 -7.8540 -7.8521 -7.8499 -7.8485 -7.8461 -7.8460 -3.1382 -3.1380 -3.1121 -3.1118 -1.5700 -1.5682 -1.4832 -1.4818 -1.4255 -1.4240 -0.8428 -0.8410 0.3489 0.3605 0.5857 0.5933 0.6231 0.6375 0.6678 0.6826 0.7566 0.7720 0.9396 0.9471 1.0756 1.1070 1.1399 1.1851 1.3417 1.3520 1.5678 1.5746 1.5814 1.5908 1.9104 1.9312 2.0147 2.0296 2.1263 2.1582 2.3061 2.3468 2.5392 2.5629 2.8638 2.9021 2.9465 3.0030 3.7725 3.7771 4.4957 4.5007 4.5266 4.5338 5.6020 5.6117 7.7712 7.7856 8.0851 8.0884 8.6683 8.6745 9.4275 9.4643 9.6938 9.7002 k =-0.0098 0.0138 0.0169 ( 11331 PWs) bands (ev): -8.3649 -8.3649 -7.8530 -7.8520 -7.8492 -7.8485 -7.8455 -7.8454 -3.1380 -3.1379 -3.1121 -3.1119 -1.5691 -1.5682 -1.4829 -1.4822 -1.4254 -1.4246 -0.8438 -0.8429 0.3514 0.3572 0.5894 0.5933 0.6269 0.6346 0.6715 0.6796 0.7597 0.7676 0.9414 0.9451 1.0864 1.1013 1.1500 1.1735 1.3434 1.3488 1.5727 1.5789 1.5818 1.5904 1.9271 1.9400 2.0127 2.0185 2.1223 2.1407 2.3125 2.3339 2.5422 2.5542 2.8727 2.8916 2.9565 2.9845 3.7794 3.7817 4.5075 4.5097 4.5425 4.5459 5.5817 5.5866 7.7696 7.7770 8.0751 8.0768 8.6715 8.6747 9.4370 9.4556 9.6949 9.6982 k = 0.0000 0.0000 0.0000 ( 11327 PWs) bands (ev): -8.3653 -8.3653 -7.8524 -7.8524 -7.8487 -7.8487 -7.8453 -7.8453 -3.1379 -3.1379 -3.1120 -3.1120 -1.5685 -1.5685 -1.4825 -1.4825 -1.4251 -1.4251 -0.8438 -0.8438 0.3542 0.3542 0.5920 0.5920 0.6309 0.6309 0.6757 0.6757 0.7635 0.7635 0.9432 0.9432 1.0947 1.0947 1.1615 1.1615 1.3459 1.3459 1.5760 1.5760 1.5874 1.5874 1.9384 1.9384 2.0130 2.0130 2.1275 2.1275 2.3221 2.3221 2.5474 2.5474 2.8819 2.8819 2.9691 2.9691 3.7825 3.7825 4.5116 4.5116 4.5495 4.5495 5.5764 5.5764 7.7716 7.7716 8.0723 8.0723 8.6736 8.6736 9.4464 9.4464 9.6964 9.6964 k = 0.0000 0.0000 0.0000 ( 11327 PWs) bands (ev): -8.3653 -8.3653 -7.8524 -7.8524 -7.8487 -7.8487 -7.8453 -7.8453 -3.1379 -3.1379 -3.1120 -3.1120 -1.5685 -1.5685 -1.4825 -1.4825 -1.4251 -1.4251 -0.8438 -0.8438 0.3542 0.3542 0.5920 0.5920 0.6309 0.6309 0.6757 0.6757 0.7635 0.7635 0.9432 0.9432 1.0947 1.0947 1.1615 1.1615 1.3459 1.3459 1.5760 1.5760 1.5874 1.5874 1.9384 1.9384 2.0130 2.0130 2.1275 2.1275 2.3221 2.3221 2.5474 2.5474 2.8819 2.8819 2.9691 2.9691 3.7825 3.7825 4.5116 4.5116 4.5495 4.5495 5.5764 5.5764 7.7716 7.7716 8.0723 8.0723 8.6736 8.6736 9.4464 9.4464 9.6964 9.6964 k = 0.0200 0.0142 0.0000 ( 11315 PWs) bands (ev): -8.3649 -8.3649 -7.8526 -7.8526 -7.8490 -7.8490 -7.8453 -7.8453 -3.1380 -3.1380 -3.1121 -3.1121 -1.5688 -1.5688 -1.4826 -1.4826 -1.4252 -1.4252 -0.8441 -0.8441 0.3546 0.3546 0.5915 0.5915 0.6315 0.6315 0.6759 0.6759 0.7634 0.7634 0.9430 0.9430 1.0888 1.0888 1.1670 1.1670 1.3465 1.3465 1.5749 1.5749 1.5894 1.5894 1.9385 1.9385 2.0144 2.0144 2.1286 2.1286 2.3222 2.3222 2.5489 2.5489 2.8829 2.8829 2.9698 2.9698 3.7802 3.7802 4.5052 4.5052 4.5474 4.5474 5.5842 5.5842 7.7706 7.7706 8.0735 8.0735 8.6693 8.6693 9.4380 9.4380 9.6834 9.6834 k = 0.0400 0.0284 0.0000 ( 11355 PWs) bands (ev): -8.3634 -8.3634 -7.8536 -7.8536 -7.8497 -7.8497 -7.8453 -7.8453 -3.1381 -3.1381 -3.1124 -3.1124 -1.5696 -1.5696 -1.4827 -1.4827 -1.4255 -1.4255 -0.8451 -0.8451 0.3559 0.3559 0.5900 0.5900 0.6331 0.6331 0.6765 0.6765 0.7629 0.7629 0.9420 0.9420 1.0749 1.0749 1.1794 1.1794 1.3484 1.3484 1.5727 1.5727 1.5942 1.5942 1.9386 1.9386 2.0183 2.0183 2.1318 2.1318 2.3226 2.3226 2.5536 2.5536 2.8858 2.8858 2.9720 2.9720 3.7735 3.7735 4.4864 4.4864 4.5411 4.5411 5.6069 5.6069 7.7675 7.7675 8.0768 8.0768 8.6567 8.6567 9.4132 9.4132 9.6465 9.6465 k = 0.0600 0.0426 0.0000 ( 11331 PWs) bands (ev): -8.3611 -8.3611 -7.8558 -7.8558 -7.8502 -7.8502 -7.8453 -7.8453 -3.1383 -3.1383 -3.1128 -3.1128 -1.5710 -1.5710 -1.4829 -1.4829 -1.4260 -1.4260 -0.8467 -0.8467 0.3579 0.3579 0.5876 0.5876 0.6354 0.6354 0.6780 0.6780 0.7624 0.7624 0.9405 0.9405 1.0582 1.0582 1.1933 1.1933 1.3524 1.3524 1.5707 1.5707 1.6005 1.6005 1.9389 1.9389 2.0246 2.0246 2.1370 2.1370 2.3232 2.3232 2.5613 2.5613 2.8905 2.8905 2.9758 2.9758 3.7624 3.7624 4.4572 4.4572 4.5305 4.5305 5.6428 5.6428 7.7624 7.7624 8.0824 8.0824 8.6367 8.6367 9.3726 9.3726 9.5904 9.5904 k = 0.0800 0.0567 0.0000 ( 11336 PWs) bands (ev): -8.3578 -8.3578 -7.8594 -7.8594 -7.8504 -7.8504 -7.8454 -7.8454 -3.1386 -3.1386 -3.1135 -3.1135 -1.5728 -1.5728 -1.4833 -1.4833 -1.4267 -1.4267 -0.8489 -0.8489 0.3605 0.3605 0.5844 0.5844 0.6375 0.6375 0.6808 0.6808 0.7618 0.7618 0.9383 0.9383 1.0408 1.0408 1.2060 1.2060 1.3588 1.3588 1.5692 1.5692 1.6081 1.6081 1.9397 1.9397 2.0331 2.0331 2.1441 2.1441 2.3241 2.3241 2.5720 2.5720 2.8967 2.8967 2.9814 2.9814 3.7470 3.7470 4.4195 4.4195 4.5157 4.5157 5.6896 5.6896 7.7551 7.7551 8.0901 8.0901 8.6105 8.6105 9.3180 9.3180 9.5200 9.5200 k = 0.1000 0.0709 0.0000 ( 11340 PWs) bands (ev): -8.3536 -8.3536 -7.8641 -7.8641 -7.8505 -7.8505 -7.8454 -7.8454 -3.1390 -3.1390 -3.1143 -3.1143 -1.5751 -1.5751 -1.4837 -1.4837 -1.4277 -1.4277 -0.8514 -0.8514 0.3635 0.3635 0.5803 0.5803 0.6390 0.6390 0.6855 0.6855 0.7611 0.7611 0.9357 0.9357 1.0238 1.0238 1.2158 1.2158 1.3682 1.3682 1.5681 1.5681 1.6166 1.6166 1.9410 1.9410 2.0434 2.0434 2.1530 2.1530 2.3254 2.3254 2.5853 2.5853 2.9041 2.9041 2.9890 2.9890 3.7276 3.7276 4.3755 4.3755 4.4969 4.4969 5.7448 5.7448 7.7454 7.7454 8.0999 8.0999 8.5798 8.5798 9.2515 9.2515 9.4396 9.4396 k = 0.1200 0.0851 0.0000 ( 11336 PWs) bands (ev): -8.3485 -8.3485 -7.8699 -7.8699 -7.8506 -7.8506 -7.8455 -7.8455 -3.1395 -3.1395 -3.1153 -3.1153 -1.5777 -1.5777 -1.4843 -1.4843 -1.4288 -1.4288 -0.8543 -0.8543 0.3667 0.3667 0.5753 0.5753 0.6398 0.6398 0.6918 0.6918 0.7609 0.7609 0.9326 0.9326 1.0079 1.0079 1.2224 1.2224 1.3809 1.3809 1.5675 1.5675 1.6261 1.6261 1.9429 1.9429 2.0554 2.0554 2.1635 2.1635 2.3270 2.3270 2.6012 2.6012 2.9125 2.9125 2.9990 2.9990 3.7044 3.7044 4.3272 4.3272 4.4742 4.4742 5.8062 5.8062 7.7334 7.7334 8.1116 8.1116 8.5462 8.5462 9.1761 9.1761 9.3526 9.3526 k = 0.1400 0.0993 0.0000 ( 11348 PWs) bands (ev): -8.3425 -8.3425 -7.8767 -7.8767 -7.8506 -7.8506 -7.8456 -7.8456 -3.1400 -3.1400 -3.1164 -3.1164 -1.5806 -1.5806 -1.4850 -1.4850 -1.4303 -1.4303 -0.8575 -0.8575 0.3700 0.3700 0.5694 0.5694 0.6398 0.6398 0.6988 0.6988 0.7614 0.7614 0.9291 0.9291 0.9935 0.9935 1.2259 1.2259 1.3964 1.3964 1.5673 1.5673 1.6365 1.6365 1.9454 1.9454 2.0687 2.0687 2.1754 2.1754 2.3292 2.3292 2.6195 2.6195 2.9214 2.9214 3.0116 3.0116 3.6779 3.6779 4.2759 4.2759 4.4479 4.4479 5.8716 5.8716 7.7192 7.7192 8.1252 8.1252 8.5113 8.5113 9.0945 9.0945 9.2615 9.2615 k = 0.1600 0.1135 0.0000 ( 11372 PWs) bands (ev): -8.3357 -8.3357 -7.8845 -7.8845 -7.8506 -7.8506 -7.8457 -7.8457 -3.1405 -3.1405 -3.1176 -3.1176 -1.5838 -1.5838 -1.4859 -1.4859 -1.4319 -1.4319 -0.8607 -0.8607 0.3731 0.3731 0.5627 0.5627 0.6395 0.6395 0.7053 0.7053 0.7633 0.7633 0.9252 0.9252 0.9811 0.9811 1.2271 1.2271 1.4139 1.4139 1.5674 1.5674 1.6476 1.6476 1.9487 1.9487 2.0831 2.0831 2.1883 2.1883 2.3318 2.3318 2.6399 2.6399 2.9306 2.9306 3.0270 3.0270 3.6483 3.6483 4.2227 4.2227 4.4182 4.4182 5.9393 5.9393 7.7029 7.7029 8.1403 8.1403 8.4766 8.4766 9.0093 9.0093 9.1682 9.1682 k = 0.1800 0.1277 0.0000 ( 11364 PWs) bands (ev): -8.3279 -8.3279 -7.8933 -7.8933 -7.8505 -7.8505 -7.8458 -7.8458 -3.1411 -3.1411 -3.1190 -3.1190 -1.5871 -1.5871 -1.4869 -1.4869 -1.4338 -1.4338 -0.8639 -0.8639 0.3762 0.3762 0.5552 0.5552 0.6391 0.6391 0.7100 0.7100 0.7672 0.7672 0.9213 0.9213 0.9711 0.9711 1.2270 1.2270 1.4323 1.4324 1.5679 1.5679 1.6596 1.6596 1.9526 1.9526 2.0981 2.0981 2.2021 2.2021 2.3350 2.3350 2.6623 2.6623 2.9402 2.9402 3.0454 3.0454 3.6163 3.6163 4.1687 4.1687 4.3855 4.3855 6.0077 6.0077 7.6851 7.6851 8.1567 8.1567 8.4433 8.4433 8.9228 8.9228 9.0745 9.0745 k = 0.2000 0.1419 0.0000 ( 11364 PWs) bands (ev): -8.3194 -8.3194 -7.9030 -7.9030 -7.8505 -7.8505 -7.8459 -7.8459 -3.1417 -3.1417 -3.1204 -3.1204 -1.5905 -1.5905 -1.4881 -1.4881 -1.4359 -1.4359 -0.8671 -0.8671 0.3789 0.3789 0.5471 0.5471 0.6388 0.6388 0.7121 0.7122 0.7725 0.7725 0.9174 0.9174 0.9637 0.9637 1.2266 1.2266 1.4509 1.4509 1.5687 1.5687 1.6723 1.6723 1.9570 1.9570 2.1136 2.1136 2.2163 2.2163 2.3389 2.3389 2.6865 2.6865 2.9500 2.9500 3.0664 3.0664 3.5822 3.5822 4.1142 4.1142 4.3498 4.3498 6.0751 6.0751 7.6668 7.6668 8.1741 8.1741 8.4122 8.4122 8.8368 8.8368 8.9817 8.9817 k = 0.2200 0.1560 0.0000 ( 11360 PWs) bands (ev): -8.3100 -8.3100 -7.9135 -7.9135 -7.8504 -7.8504 -7.8460 -7.8460 -3.1424 -3.1424 -3.1219 -3.1219 -1.5939 -1.5939 -1.4893 -1.4893 -1.4382 -1.4382 -0.8700 -0.8700 0.3814 0.3814 0.5385 0.5385 0.6388 0.6388 0.7120 0.7120 0.7781 0.7781 0.9138 0.9138 0.9592 0.9592 1.2268 1.2268 1.4687 1.4687 1.5696 1.5696 1.6859 1.6859 1.9620 1.9620 2.1290 2.1290 2.2307 2.2307 2.3437 2.3437 2.7122 2.7122 2.9601 2.9601 3.0901 3.0901 3.5467 3.5467 4.0597 4.0597 4.3117 4.3117 6.1400 6.1400 7.6489 7.6489 8.1918 8.1918 8.3838 8.3838 8.7530 8.7530 8.8909 8.8909 k = 0.2400 0.1702 0.0000 ( 11360 PWs) bands (ev): -8.2999 -8.2999 -7.9248 -7.9248 -7.8504 -7.8504 -7.8461 -7.8461 -3.1430 -3.1430 -3.1235 -3.1235 -1.5973 -1.5973 -1.4907 -1.4907 -1.4407 -1.4407 -0.8728 -0.8728 0.3837 0.3837 0.5296 0.5296 0.6390 0.6390 0.7101 0.7101 0.7825 0.7825 0.9108 0.9108 0.9575 0.9575 1.2286 1.2286 1.4851 1.4851 1.5707 1.5707 1.7004 1.7004 1.9673 1.9673 2.1439 2.1439 2.2450 2.2450 2.3494 2.3494 2.7392 2.7392 2.9708 2.9708 3.1162 3.1162 3.5104 3.5104 4.0055 4.0055 4.2712 4.2712 6.2011 6.2011 7.6331 7.6331 8.2090 8.2090 8.3582 8.3582 8.6730 8.6730 8.8031 8.8031 k = 0.2600 0.1844 0.0000 ( 11356 PWs) bands (ev): -8.2891 -8.2891 -7.9368 -7.9368 -7.8503 -7.8503 -7.8462 -7.8462 -3.1436 -3.1436 -3.1251 -3.1251 -1.6007 -1.6007 -1.4921 -1.4921 -1.4432 -1.4432 -0.8752 -0.8752 0.3857 0.3857 0.5205 0.5205 0.6395 0.6395 0.7071 0.7071 0.7847 0.7847 0.9084 0.9084 0.9582 0.9582 1.2328 1.2328 1.4995 1.4995 1.5718 1.5718 1.7159 1.7159 1.9728 1.9728 2.1577 2.1577 2.2590 2.2590 2.3562 2.3562 2.7675 2.7675 2.9820 2.9820 3.1444 3.1444 3.4738 3.4738 3.9517 3.9517 4.2289 4.2289 6.2570 6.2570 7.6209 7.6209 8.2242 8.2242 8.3355 8.3355 8.5986 8.5986 8.7190 8.7190 k = 0.2800 0.1986 0.0000 ( 11352 PWs) bands (ev): -8.2776 -8.2776 -7.9495 -7.9495 -7.8502 -7.8502 -7.8464 -7.8464 -3.1442 -3.1442 -3.1267 -3.1267 -1.6039 -1.6039 -1.4936 -1.4936 -1.4458 -1.4458 -0.8774 -0.8774 0.3877 0.3877 0.5113 0.5113 0.6404 0.6404 0.7035 0.7035 0.7846 0.7846 0.9066 0.9066 0.9603 0.9603 1.2401 1.2401 1.5117 1.5117 1.5728 1.5728 1.7322 1.7322 1.9783 1.9783 2.1700 2.1700 2.2726 2.2726 2.3639 2.3639 2.7967 2.7967 2.9940 2.9940 3.1746 3.1746 3.4376 3.4376 3.8985 3.8985 4.1849 4.1849 6.3064 6.3064 7.6139 7.6139 8.2351 8.2351 8.3155 8.3155 8.5326 8.5326 8.6393 8.6393 k = 0.3000 0.2128 0.0000 ( 11368 PWs) bands (ev): -8.2654 -8.2654 -7.9629 -7.9629 -7.8502 -7.8502 -7.8465 -7.8465 -3.1447 -3.1447 -3.1283 -3.1283 -1.6070 -1.6070 -1.4952 -1.4952 -1.4484 -1.4484 -0.8793 -0.8793 0.3895 0.3895 0.5022 0.5022 0.6415 0.6415 0.6995 0.6995 0.7825 0.7825 0.9053 0.9053 0.9628 0.9628 1.2510 1.2510 1.5215 1.5215 1.5733 1.5733 1.7493 1.7493 1.9837 1.9837 2.1801 2.1801 2.2860 2.2860 2.3725 2.3725 2.8267 2.8267 3.0068 3.0068 3.2065 3.2065 3.4022 3.4022 3.8459 3.8459 4.1396 4.1396 6.3483 6.3483 7.6136 7.6136 8.2382 8.2382 8.2965 8.2965 8.4794 8.4794 8.5648 8.5648 k = 0.3200 0.2270 0.0000 ( 11376 PWs) bands (ev): -8.2526 -8.2526 -7.9768 -7.9768 -7.8501 -7.8501 -7.8466 -7.8466 -3.1452 -3.1452 -3.1298 -3.1298 -1.6098 -1.6098 -1.4967 -1.4967 -1.4510 -1.4510 -0.8809 -0.8809 0.3912 0.3912 0.4933 0.4933 0.6429 0.6429 0.6953 0.6953 0.7788 0.7788 0.9046 0.9046 0.9648 0.9648 1.2656 1.2657 1.5290 1.5290 1.5732 1.5732 1.7669 1.7669 1.9888 1.9888 2.1876 2.1876 2.2994 2.2994 2.3814 2.3815 2.8573 2.8573 3.0203 3.0203 3.2399 3.2399 3.3682 3.3682 3.7943 3.7943 4.0934 4.0934 6.3822 6.3822 7.6209 7.6209 8.2318 8.2318 8.2735 8.2735 8.4454 8.4454 8.4959 8.4959 k = 0.3400 0.2412 0.0000 ( 11400 PWs) bands (ev): -8.2393 -8.2393 -7.9912 -7.9912 -7.8500 -7.8500 -7.8468 -7.8468 -3.1457 -3.1457 -3.1313 -3.1313 -1.6125 -1.6125 -1.4982 -1.4982 -1.4535 -1.4534 -0.8822 -0.8822 0.3930 0.3930 0.4847 0.4847 0.6446 0.6446 0.6911 0.6911 0.7743 0.7743 0.9043 0.9043 0.9655 0.9655 1.2838 1.2838 1.5345 1.5345 1.5720 1.5720 1.7846 1.7846 1.9935 1.9935 2.1924 2.1924 2.3129 2.3129 2.3903 2.3903 2.8881 2.8881 3.0347 3.0347 3.2746 3.2746 3.3361 3.3361 3.7437 3.7437 4.0466 4.0466 6.4080 6.4080 7.6361 7.6361 8.2173 8.2173 8.2423 8.2423 8.4292 8.4292 8.4368 8.4368 k = 0.3600 0.2553 0.0000 ( 11400 PWs) bands (ev): -8.2254 -8.2254 -8.0061 -8.0061 -7.8500 -7.8500 -7.8469 -7.8469 -3.1460 -3.1460 -3.1327 -3.1327 -1.6149 -1.6149 -1.4997 -1.4997 -1.4557 -1.4557 -0.8832 -0.8832 0.3948 0.3948 0.4765 0.4765 0.6466 0.6466 0.6870 0.6870 0.7693 0.7693 0.9046 0.9046 0.9648 0.9648 1.3050 1.3050 1.5381 1.5381 1.5698 1.5698 1.8020 1.8020 1.9978 1.9978 2.1944 2.1944 2.3267 2.3267 2.3986 2.3986 2.9189 2.9189 3.0499 3.0499 3.3034 3.3034 3.3131 3.3131 3.6945 3.6945 3.9995 3.9995 6.4264 6.4264 7.6587 7.6587 8.1945 8.1945 8.2090 8.2090 8.3758 8.3758 8.4367 8.4367 k = 0.3800 0.2695 0.0000 ( 11400 PWs) bands (ev): -8.2110 -8.2110 -8.0213 -8.0213 -7.8499 -7.8499 -7.8470 -7.8470 -3.1463 -3.1463 -3.1340 -3.1340 -1.6170 -1.6170 -1.5010 -1.5010 -1.4578 -1.4578 -0.8840 -0.8840 0.3967 0.3967 0.4689 0.4689 0.6487 0.6487 0.6831 0.6831 0.7643 0.7643 0.9054 0.9055 0.9629 0.9629 1.3284 1.3284 1.5395 1.5395 1.5667 1.5667 1.8187 1.8187 2.0015 2.0015 2.1942 2.1942 2.3404 2.3405 2.4057 2.4057 2.9491 2.9491 3.0658 3.0658 3.2778 3.2778 3.3479 3.3479 3.6470 3.6470 3.9528 3.9528 6.4383 6.4383 7.6878 7.6878 8.1605 8.1605 8.1837 8.1837 8.3261 8.3261 8.4471 8.4471 k = 0.4000 0.2837 0.0000 ( 11400 PWs) bands (ev): -8.1962 -8.1962 -8.0369 -8.0369 -7.8498 -7.8498 -7.8471 -7.8471 -3.1466 -3.1466 -3.1351 -3.1351 -1.6188 -1.6188 -1.5022 -1.5022 -1.4596 -1.4596 -0.8847 -0.8847 0.3987 0.3987 0.4619 0.4619 0.6510 0.6511 0.6794 0.6794 0.7595 0.7595 0.9068 0.9068 0.9600 0.9600 1.3530 1.3530 1.5381 1.5381 1.5635 1.5635 1.8340 1.8340 2.0048 2.0048 2.1922 2.1922 2.3540 2.3540 2.4112 2.4112 2.9780 2.9780 3.0822 3.0822 3.2532 3.2532 3.3850 3.3850 3.6019 3.6019 3.9069 3.9069 6.4451 6.4451 7.7217 7.7217 8.1261 8.1261 8.1599 8.1599 8.2833 8.2833 8.4601 8.4601 k = 0.4200 0.2979 0.0000 ( 11392 PWs) bands (ev): -8.1811 -8.1811 -8.0526 -8.0526 -7.8497 -7.8497 -7.8472 -7.8472 -3.1467 -3.1467 -3.1361 -3.1361 -1.6204 -1.6204 -1.5033 -1.5033 -1.4611 -1.4611 -0.8851 -0.8851 0.4007 0.4007 0.4557 0.4557 0.6535 0.6535 0.6760 0.6760 0.7552 0.7552 0.9085 0.9085 0.9565 0.9565 1.3782 1.3782 1.5329 1.5329 1.5611 1.5611 1.8476 1.8476 2.0075 2.0075 2.1892 2.1892 2.3669 2.3670 2.4147 2.4148 3.0050 3.0050 3.0981 3.0981 3.2323 3.2323 3.4217 3.4217 3.5602 3.5602 3.8626 3.8626 6.4483 6.4483 7.7583 7.7583 8.0963 8.0963 8.1352 8.1352 8.2478 8.2478 8.4732 8.4732 k = 0.4400 0.3121 0.0000 ( 11416 PWs) bands (ev): -8.1658 -8.1658 -8.0685 -8.0685 -7.8497 -7.8497 -7.8473 -7.8473 -3.1468 -3.1468 -3.1370 -3.1370 -1.6216 -1.6216 -1.5041 -1.5041 -1.4624 -1.4624 -0.8855 -0.8855 0.4026 0.4026 0.4504 0.4504 0.6559 0.6559 0.6728 0.6728 0.7515 0.7515 0.9104 0.9104 0.9529 0.9529 1.4029 1.4029 1.5238 1.5238 1.5599 1.5599 1.8588 1.8588 2.0096 2.0096 2.1857 2.1857 2.3789 2.3790 2.4161 2.4162 3.0293 3.0293 3.1115 3.1115 3.2163 3.2163 3.4567 3.4567 3.5233 3.5233 3.8214 3.8214 6.4493 6.4493 7.7950 7.7950 8.0728 8.0728 8.1098 8.1098 8.2197 8.2197 8.4848 8.4848 k = 0.4600 0.3263 0.0000 ( 11420 PWs) bands (ev): -8.1502 -8.1502 -8.0844 -8.0844 -7.8496 -7.8496 -7.8474 -7.8474 -3.1469 -3.1469 -3.1376 -3.1376 -1.6224 -1.6224 -1.5048 -1.5048 -1.4632 -1.4632 -0.8857 -0.8857 0.4043 0.4043 0.4462 0.4462 0.6584 0.6584 0.6700 0.6700 0.7488 0.7488 0.9124 0.9124 0.9497 0.9497 1.4264 1.4264 1.5114 1.5114 1.5595 1.5595 1.8672 1.8672 2.0112 2.0112 2.1827 2.1827 2.3897 2.3897 2.4153 2.4153 3.0500 3.0500 3.1193 3.1193 3.2073 3.2073 3.4833 3.4833 3.4980 3.4980 3.7856 3.7856 6.4491 6.4491 7.8283 7.8283 8.0564 8.0564 8.0852 8.0852 8.1993 8.1993 8.4938 8.4938 k = 0.4800 0.3405 0.0000 ( 11452 PWs) bands (ev): -8.1349 -8.1349 -8.1000 -8.1000 -7.8496 -7.8496 -7.8474 -7.8474 -3.1469 -3.1469 -3.1379 -3.1379 -1.6229 -1.6229 -1.5052 -1.5052 -1.4638 -1.4638 -0.8858 -0.8858 0.4055 0.4055 0.4435 0.4435 0.6605 0.6605 0.6675 0.6675 0.7471 0.7471 0.9138 0.9138 0.9473 0.9473 1.4471 1.4471 1.4974 1.4974 1.5594 1.5594 1.8724 1.8724 2.0121 2.0121 2.1806 2.1806 2.3988 2.3988 2.4122 2.4123 3.0655 3.0655 3.1200 3.1200 3.2050 3.2050 3.4704 3.4704 3.5137 3.5137 3.7595 3.7595 6.4486 6.4486 7.8530 7.8530 8.0486 8.0486 8.0642 8.0642 8.1870 8.1870 8.4995 8.4995 k = 0.5000 0.3546 0.0000 ( 11464 PWs) bands (ev): -8.1242 -8.1242 -8.1107 -8.1107 -7.8496 -7.8496 -7.8474 -7.8474 -3.1470 -3.1470 -3.1381 -3.1381 -1.6231 -1.6231 -1.5053 -1.5053 -1.4640 -1.4640 -0.8859 -0.8859 0.4059 0.4059 0.4426 0.4426 0.6617 0.6617 0.6662 0.6662 0.7465 0.7465 0.9143 0.9143 0.9464 0.9464 1.4580 1.4580 1.4886 1.4886 1.5594 1.5594 1.8741 1.8741 2.0125 2.0125 2.1798 2.1798 2.4045 2.4045 2.4086 2.4086 3.0718 3.0718 3.1186 3.1186 3.2053 3.2053 3.4634 3.4634 3.5224 3.5224 3.7496 3.7496 6.4484 6.4484 7.8624 7.8624 8.0498 8.0498 8.0522 8.0522 8.1828 8.1828 8.5015 8.5015 k = 0.5000 0.3546 0.0000 ( 11464 PWs) bands (ev): -8.1242 -8.1242 -8.1107 -8.1107 -7.8496 -7.8496 -7.8474 -7.8474 -3.1470 -3.1470 -3.1381 -3.1381 -1.6231 -1.6231 -1.5053 -1.5053 -1.4640 -1.4640 -0.8859 -0.8859 0.4059 0.4059 0.4426 0.4426 0.6617 0.6617 0.6662 0.6662 0.7465 0.7465 0.9143 0.9143 0.9464 0.9464 1.4580 1.4580 1.4886 1.4886 1.5594 1.5594 1.8741 1.8741 2.0125 2.0125 2.1798 2.1798 2.4045 2.4045 2.4086 2.4086 3.0718 3.0718 3.1186 3.1186 3.2053 3.2053 3.4634 3.4634 3.5224 3.5224 3.7496 3.7496 6.4484 6.4484 7.8624 7.8624 8.0498 8.0498 8.0522 8.0522 8.1828 8.1828 8.5015 8.5015 k = 0.4902 0.3685 0.0170 ( 11462 PWs) bands (ev): -8.1241 -8.1238 -8.1106 -8.1105 -7.8500 -7.8497 -7.8477 -7.8476 -3.1480 -3.1460 -3.1382 -3.1378 -1.6248 -1.6216 -1.5086 -1.5018 -1.4653 -1.4623 -0.8869 -0.8839 0.4053 0.4068 0.4420 0.4431 0.6577 0.6614 0.6659 0.6687 0.7421 0.7505 0.9121 0.9175 0.9436 0.9511 1.4557 1.4586 1.4861 1.4916 1.5552 1.5620 1.8727 1.8748 2.0035 2.0191 2.1742 2.1860 2.3964 2.4015 2.4111 2.4203 3.0609 3.0725 3.1124 3.1279 3.2048 3.2079 3.4494 3.4716 3.5196 3.5313 3.7446 3.7543 6.4463 6.4521 7.8579 7.8716 8.0430 8.0519 8.0549 8.0612 8.1851 8.1853 8.4996 8.5122 k = 0.4803 0.3824 0.0340 ( 11436 PWs) bands (ev): -8.1236 -8.1229 -8.1099 -8.1097 -7.8511 -7.8508 -7.8482 -7.8478 -3.1491 -3.1453 -3.1383 -3.1374 -1.6265 -1.6203 -1.5116 -1.4982 -1.4663 -1.4604 -0.8870 -0.8811 0.4049 0.4078 0.4414 0.4436 0.6520 0.6575 0.6667 0.6712 0.7375 0.7540 0.9105 0.9218 0.9431 0.9571 1.4515 1.4577 1.4838 1.4949 1.5493 1.5634 1.8707 1.8747 1.9927 2.0229 2.1692 2.1929 2.3892 2.3974 2.4178 2.4347 3.0430 3.0649 3.1079 3.1368 3.2052 3.2144 3.4333 3.4698 3.5271 3.5422 3.7396 3.7589 6.4459 6.4576 7.8580 7.8852 8.0387 8.0565 8.0621 8.0743 8.1918 8.1928 8.5065 8.5317 k = 0.4705 0.3963 0.0511 ( 11398 PWs) bands (ev): -8.1225 -8.1216 -8.1088 -8.1085 -7.8533 -7.8531 -7.8487 -7.8477 -3.1503 -3.1447 -3.1382 -3.1367 -1.6284 -1.6191 -1.5144 -1.4945 -1.4670 -1.4582 -0.8861 -0.8775 0.4046 0.4091 0.4408 0.4441 0.6452 0.6521 0.6666 0.6731 0.7329 0.7572 0.9088 0.9273 0.9455 0.9643 1.4452 1.4557 1.4816 1.4985 1.5414 1.5640 1.8681 1.8737 1.9807 2.0234 2.1646 2.2006 2.3847 2.3949 2.4248 2.4510 3.0218 3.0524 3.1020 3.1421 3.2051 3.2256 3.4164 3.4608 3.5415 3.5533 3.7351 3.7636 6.4470 6.4647 7.8628 7.9029 8.0377 8.0653 8.0725 8.0898 8.2031 8.2060 8.5221 8.5599 k = 0.4606 0.4102 0.0681 ( 11396 PWs) bands (ev): -8.1210 -8.1197 -8.1073 -8.1068 -7.8567 -7.8564 -7.8490 -7.8476 -3.1515 -3.1443 -3.1381 -3.1359 -1.6303 -1.6180 -1.5168 -1.4908 -1.4673 -1.4558 -0.8843 -0.8730 0.4045 0.4105 0.4402 0.4446 0.6373 0.6456 0.6655 0.6740 0.7283 0.7600 0.9069 0.9340 0.9502 0.9724 1.4365 1.4529 1.4790 1.5021 1.5316 1.5641 1.8649 1.8717 1.9677 2.0203 2.1604 2.2091 2.3834 2.3939 2.4320 2.4689 2.9989 3.0371 3.0938 3.1434 3.2035 3.2403 3.3991 3.4484 3.5577 3.5645 3.7321 3.7688 6.4495 6.4734 7.8720 7.9242 8.0405 8.0780 8.0858 8.1071 8.2192 8.2254 8.5463 8.5966 k = 0.4508 0.4241 0.0851 ( 11388 PWs) bands (ev): -8.1190 -8.1174 -8.1053 -8.1047 -7.8611 -7.8607 -7.8493 -7.8474 -3.1528 -3.1441 -3.1379 -3.1350 -1.6323 -1.6172 -1.5189 -1.4871 -1.4672 -1.4532 -0.8815 -0.8679 0.4045 0.4120 0.4397 0.4452 0.6286 0.6380 0.6636 0.6742 0.7240 0.7628 0.9047 0.9417 0.9568 0.9814 1.4254 1.4496 1.4758 1.5055 1.5203 1.5641 1.8611 1.8687 1.9543 2.0137 2.1567 2.2181 2.3854 2.3945 2.4392 2.4881 2.9752 3.0203 3.0833 3.1420 3.1997 3.2560 3.3816 3.4341 3.5680 3.5803 3.7317 3.7749 6.4532 6.4836 7.8856 7.9481 8.0477 8.0942 8.1019 8.1258 8.2406 8.2516 8.5789 8.6417 k = 0.4409 0.4380 0.1021 ( 11400 PWs) bands (ev): -8.1165 -8.1147 -8.1028 -8.1021 -7.8664 -7.8659 -7.8495 -7.8471 -3.1540 -3.1441 -3.1376 -3.1339 -1.6342 -1.6165 -1.5206 -1.4835 -1.4668 -1.4504 -0.8779 -0.8621 0.4045 0.4135 0.4394 0.4460 0.6191 0.6295 0.6610 0.6737 0.7201 0.7656 0.9026 0.9499 0.9649 0.9913 1.4116 1.4459 1.4715 1.5049 1.5115 1.5643 1.8566 1.8645 1.9407 2.0038 2.1532 2.2273 2.3906 2.3971 2.4464 2.5084 2.9513 3.0025 3.0712 3.1396 3.1933 3.2698 3.3646 3.4180 3.5727 3.5990 3.7350 3.7824 6.4579 6.4951 7.9032 7.9732 8.0604 8.1127 8.1210 8.1452 8.2679 8.2850 8.6195 8.6949 k = 0.4311 0.4518 0.1192 ( 11400 PWs) bands (ev): -8.1136 -8.1115 -8.1000 -8.0991 -7.8725 -7.8720 -7.8497 -7.8469 -3.1552 -3.1442 -3.1373 -3.1327 -1.6361 -1.6160 -1.5220 -1.4800 -1.4660 -1.4475 -0.8733 -0.8557 0.4045 0.4150 0.4392 0.4471 0.6090 0.6204 0.6576 0.6726 0.7167 0.7687 0.9008 0.9579 0.9743 1.0018 1.3952 1.4420 1.4647 1.4939 1.5131 1.5650 1.8512 1.8593 1.9272 1.9912 2.1502 2.2361 2.3972 2.4033 2.4533 2.5296 2.9275 2.9841 3.0581 3.1372 3.1842 3.2787 3.3495 3.4004 3.5741 3.6180 3.7424 3.7914 6.4636 6.5077 7.9245 7.9974 8.0802 8.1323 8.1438 8.1654 8.3017 8.3254 8.6679 8.7559 k = 0.4212 0.4657 0.1362 ( 11394 PWs) bands (ev): -8.1103 -8.1079 -8.0967 -8.0957 -7.8796 -7.8789 -7.8499 -7.8467 -3.1564 -3.1444 -3.1369 -3.1315 -1.6380 -1.6157 -1.5229 -1.4766 -1.4649 -1.4445 -0.8679 -0.8489 0.4045 0.4166 0.4394 0.4485 0.5984 0.6109 0.6536 0.6710 0.7138 0.7720 0.8994 0.9652 0.9850 1.0128 1.3763 1.4378 1.4534 1.4846 1.5157 1.5664 1.8443 1.8534 1.9142 1.9764 2.1475 2.2442 2.4027 2.4154 2.4599 2.5516 2.9043 2.9655 3.0443 3.1354 3.1728 3.2787 3.3383 3.3817 3.5739 3.6366 3.7533 3.8021 6.4701 6.5213 7.9491 8.0197 8.1079 8.1526 8.1703 8.1860 8.3426 8.3726 8.7237 8.8244 k = 0.4114 0.4796 0.1532 ( 11396 PWs) bands (ev): -8.1066 -8.1040 -8.0930 -8.0919 -7.8874 -7.8866 -7.8500 -7.8465 -3.1575 -3.1447 -3.1364 -3.1302 -1.6397 -1.6155 -1.5235 -1.4734 -1.4635 -1.4415 -0.8618 -0.8416 0.4045 0.4180 0.4398 0.4503 0.5874 0.6011 0.6491 0.6689 0.7114 0.7757 0.8983 0.9716 0.9966 1.0241 1.3549 1.4320 1.4384 1.4789 1.5180 1.5684 1.8351 1.8474 1.9018 1.9599 2.1454 2.2513 2.4083 2.4316 2.4659 2.5741 2.8823 2.9467 3.0301 3.1341 3.1600 3.2688 3.3299 3.3634 3.5738 3.6542 3.7670 3.8145 6.4772 6.5355 7.9766 8.0400 8.1424 8.1734 8.2003 8.2072 8.3906 8.4262 8.7866 8.8999 k = 0.4015 0.4935 0.1702 ( 11400 PWs) bands (ev): -8.1026 -8.0997 -8.0890 -8.0877 -7.8959 -7.8950 -7.8502 -7.8463 -3.1585 -3.1451 -3.1359 -3.1290 -1.6413 -1.6154 -1.5237 -1.4704 -1.4617 -1.4384 -0.8549 -0.8339 0.4043 0.4194 0.4404 0.4524 0.5762 0.5914 0.6442 0.6665 0.7096 0.7798 0.8976 0.9770 1.0088 1.0354 1.3316 1.4158 1.4303 1.4755 1.5198 1.5710 1.8235 1.8412 1.8899 1.9422 2.1439 2.2574 2.4140 2.4510 2.4713 2.5968 2.8623 2.9279 3.0155 3.1298 3.1502 3.2526 3.3176 3.3488 3.5753 3.6705 3.7822 3.8283 6.4848 6.5501 8.0065 8.0597 8.1816 8.1948 8.2281 8.2349 8.4456 8.4858 8.8561 8.9821 k = 0.3917 0.5074 0.1872 ( 11404 PWs) bands (ev): -8.0983 -8.0952 -8.0846 -8.0831 -7.9050 -7.9041 -7.8503 -7.8461 -3.1595 -3.1455 -3.1353 -3.1277 -1.6427 -1.6154 -1.5235 -1.4677 -1.4597 -1.4354 -0.8474 -0.8260 0.4041 0.4209 0.4412 0.4548 0.5648 0.5818 0.6392 0.6638 0.7083 0.7842 0.8974 0.9814 1.0210 1.0465 1.3066 1.3947 1.4252 1.4734 1.5212 1.5740 1.8098 1.8347 1.8785 1.9237 2.1431 2.2625 2.4199 2.4716 2.4767 2.6191 2.8452 2.9093 3.0001 3.1166 3.1499 3.2339 3.2983 3.3386 3.5791 3.6852 3.7982 3.8434 6.4929 6.5650 8.0383 8.0796 8.2147 8.2254 8.2500 8.2729 8.5073 8.5508 8.9317 9.0706 k = 0.3818 0.5213 0.2043 ( 11400 PWs) bands (ev): -8.0938 -8.0905 -8.0799 -8.0782 -7.9147 -7.9136 -7.8504 -7.8459 -3.1605 -3.1459 -3.1346 -3.1264 -1.6439 -1.6154 -1.5231 -1.4653 -1.4573 -1.4323 -0.8395 -0.8180 0.4038 0.4225 0.4421 0.4576 0.5535 0.5725 0.6343 0.6609 0.7076 0.7891 0.8976 0.9848 1.0329 1.0573 1.2804 1.3726 1.4203 1.4722 1.5221 1.5775 1.7945 1.8278 1.8671 1.9048 2.1430 2.2667 2.4256 2.4773 2.4972 2.6401 2.8320 2.8912 2.9836 3.0990 3.1546 3.2152 3.2757 3.3299 3.5849 3.6982 3.8141 3.8591 6.5013 6.5798 8.0712 8.1005 8.2365 8.2686 8.2725 8.3155 8.5750 8.6209 9.0130 9.1649 k = 0.3720 0.5351 0.2213 ( 11394 PWs) bands (ev): -8.0891 -8.0858 -8.0749 -8.0729 -7.9248 -7.9236 -7.8505 -7.8457 -3.1613 -3.1464 -3.1339 -3.1251 -1.6449 -1.6155 -1.5223 -1.4632 -1.4546 -1.4293 -0.8311 -0.8098 0.4034 0.4242 0.4429 0.4605 0.5423 0.5635 0.6295 0.6577 0.7075 0.7945 0.8981 0.9870 1.0441 1.0676 1.2536 1.3504 1.4153 1.4716 1.5227 1.5812 1.7779 1.8204 1.8557 1.8857 2.1434 2.2703 2.4312 2.4782 2.5213 2.6587 2.8240 2.8742 2.9656 3.0806 3.1581 3.1986 3.2540 3.3222 3.5919 3.7092 3.8294 3.8750 6.5101 6.5943 8.1034 8.1236 8.2575 8.2951 8.3135 8.3622 8.6482 8.6956 9.0995 9.2645 k = 0.3621 0.5490 0.2383 ( 11386 PWs) bands (ev): -8.0845 -8.0812 -8.0695 -8.0672 -7.9351 -7.9338 -7.8506 -7.8455 -3.1620 -3.1468 -3.1330 -3.1239 -1.6455 -1.6157 -1.5213 -1.4615 -1.4516 -1.4263 -0.8224 -0.8017 0.4028 0.4262 0.4434 0.4635 0.5316 0.5551 0.6252 0.6545 0.7079 0.8003 0.8989 0.9880 1.0541 1.0773 1.2266 1.3288 1.4103 1.4715 1.5229 1.5849 1.7605 1.8125 1.8439 1.8667 2.1443 2.2733 2.4363 2.4768 2.5454 2.6734 2.8217 2.8594 2.9459 3.0634 3.1523 3.1863 3.2401 3.3166 3.5993 3.7181 3.8435 3.8907 6.5192 6.6084 8.1304 8.1527 8.2778 8.3191 8.3584 8.4121 8.7261 8.7743 9.1904 9.3691 k = 0.3523 0.5629 0.2553 ( 11378 PWs) bands (ev): -8.0801 -8.0769 -8.0638 -8.0612 -7.9454 -7.9439 -7.8507 -7.8453 -3.1626 -3.1473 -3.1322 -3.1227 -1.6459 -1.6158 -1.5200 -1.4602 -1.4485 -1.4235 -0.8135 -0.7936 0.4022 0.4285 0.4436 0.4665 0.5215 0.5471 0.6213 0.6511 0.7088 0.8067 0.8999 0.9876 1.0624 1.0863 1.2000 1.3085 1.4054 1.4720 1.5227 1.5886 1.7427 1.8038 1.8316 1.8482 2.1453 2.2759 2.4409 2.4734 2.5681 2.6833 2.8209 2.8517 2.9245 3.0491 3.1357 3.1709 3.2429 3.3150 3.6062 3.7248 3.8559 3.9054 6.5286 6.6219 8.1513 8.1870 8.2974 8.3448 8.4037 8.4640 8.8080 8.8564 9.2852 9.4779 k = 0.3424 0.5768 0.2724 ( 11386 PWs) bands (ev): -8.0763 -8.0733 -8.0578 -8.0548 -7.9555 -7.9538 -7.8508 -7.8451 -3.1631 -3.1477 -3.1312 -3.1216 -1.6460 -1.6158 -1.5185 -1.4591 -1.4453 -1.4208 -0.8046 -0.7858 0.4015 0.4310 0.4433 0.4691 0.5124 0.5397 0.6180 0.6476 0.7102 0.8137 0.9010 0.9856 1.0686 1.0944 1.1744 1.2900 1.4006 1.4727 1.5220 1.5921 1.7247 1.7943 1.8187 1.8307 2.1462 2.2779 2.4434 2.4692 2.5882 2.6886 2.8131 2.8579 2.9026 3.0396 3.1141 3.1501 3.2594 3.3182 3.6117 3.7294 3.8664 3.9189 6.5385 6.6346 8.1687 8.2221 8.3169 8.3727 8.4492 8.5166 8.8929 8.9412 9.3827 9.5905 k = 0.3326 0.5907 0.2894 ( 11394 PWs) bands (ev): -8.0734 -8.0708 -8.0515 -8.0481 -7.9648 -7.9628 -7.8508 -7.8450 -3.1635 -3.1482 -3.1303 -3.1205 -1.6458 -1.6159 -1.5169 -1.4582 -1.4420 -1.4183 -0.7957 -0.7782 0.4006 0.4335 0.4427 0.4710 0.5051 0.5329 0.6153 0.6439 0.7121 0.8211 0.9021 0.9820 1.0725 1.1010 1.1507 1.2740 1.3961 1.4736 1.5210 1.5952 1.7070 1.7835 1.8053 1.8148 2.1467 2.2796 2.4414 2.4670 2.6049 2.6900 2.8008 2.8664 2.8883 3.0364 3.0902 3.1287 3.2828 3.3270 3.6155 3.7317 3.8745 3.9305 6.5487 6.6464 8.1829 8.2540 8.3386 8.4031 8.4943 8.5688 8.9798 9.0279 9.4815 9.7056 k = 0.3227 0.6046 0.3064 ( 11398 PWs) bands (ev): -8.0721 -8.0700 -8.0448 -8.0410 -7.9729 -7.9705 -7.8509 -7.8449 -3.1637 -3.1486 -3.1292 -3.1195 -1.6453 -1.6158 -1.5152 -1.4576 -1.4387 -1.4159 -0.7870 -0.7710 0.3996 0.4350 0.4425 0.4715 0.5004 0.5267 0.6133 0.6401 0.7145 0.8289 0.9033 0.9770 1.0739 1.1042 1.1310 1.2610 1.3920 1.4747 1.5196 1.5977 1.6898 1.7711 1.7920 1.8008 2.1464 2.2809 2.4333 2.4679 2.6173 2.6882 2.7877 2.8521 2.9017 3.0394 3.0667 3.1102 3.3095 3.3416 3.6172 3.7320 3.8801 3.9398 6.5593 6.6571 8.1935 8.2780 8.3664 8.4363 8.5387 8.6196 9.0674 9.1155 9.5794 9.8204 k = 0.3129 0.6184 0.3234 ( 11396 PWs) bands (ev): -8.0729 -8.0713 -8.0377 -8.0337 -7.9790 -7.9763 -7.8510 -7.8448 -3.1638 -3.1489 -3.1282 -3.1185 -1.6444 -1.6157 -1.5133 -1.4573 -1.4355 -1.4137 -0.7787 -0.7642 0.3982 0.4343 0.4439 0.4705 0.4989 0.5213 0.6119 0.6362 0.7172 0.8368 0.9043 0.9708 1.0728 1.0974 1.1222 1.2512 1.3884 1.4757 1.5178 1.5994 1.6733 1.7569 1.7794 1.7886 2.1452 2.2821 2.4213 2.4693 2.6250 2.6833 2.7745 2.8357 2.9199 3.0329 3.0606 3.0979 3.3365 3.3631 3.6165 3.7304 3.8829 3.9466 6.5703 6.6668 8.2000 8.2919 8.4023 8.4722 8.5818 8.6680 9.1540 9.2028 9.6722 9.9008 k = 0.3129 0.6184 0.3234 ( 11396 PWs) bands (ev): -8.0729 -8.0713 -8.0377 -8.0337 -7.9790 -7.9763 -7.8510 -7.8448 -3.1638 -3.1489 -3.1282 -3.1185 -1.6444 -1.6157 -1.5133 -1.4573 -1.4355 -1.4137 -0.7787 -0.7642 0.3982 0.4343 0.4439 0.4705 0.4989 0.5213 0.6119 0.6362 0.7172 0.8368 0.9043 0.9708 1.0728 1.0974 1.1222 1.2512 1.3884 1.4757 1.5178 1.5994 1.6733 1.7569 1.7794 1.7886 2.1452 2.2821 2.4213 2.4693 2.6250 2.6833 2.7745 2.8357 2.9199 3.0329 3.0606 3.0979 3.3365 3.3631 3.6165 3.7304 3.8829 3.9466 6.5703 6.6668 8.2000 8.2919 8.4023 8.4722 8.5818 8.6680 9.1540 9.2028 9.6722 9.9008 k = 0.2905 0.6121 0.3312 ( 11392 PWs) bands (ev): -8.0757 -8.0742 -8.0335 -8.0295 -7.9802 -7.9773 -7.8511 -7.8448 -3.1638 -3.1491 -3.1276 -3.1180 -1.6438 -1.6156 -1.5122 -1.4572 -1.4340 -1.4128 -0.7749 -0.7612 0.3975 0.4331 0.4449 0.4698 0.4991 0.5192 0.6114 0.6344 0.7190 0.8406 0.9045 0.9671 1.0710 1.0921 1.1217 1.2469 1.3859 1.4749 1.5170 1.6000 1.6674 1.7493 1.7736 1.7846 2.1427 2.2803 2.4149 2.4702 2.6263 2.6789 2.7701 2.8314 2.9267 3.0219 3.0701 3.0997 3.3482 3.3752 3.6100 3.7237 3.8873 3.9526 6.5752 6.6704 8.2011 8.2921 8.4205 8.4940 8.6037 8.6914 9.1937 9.2425 9.7109 9.8921 k = 0.2682 0.6058 0.3390 ( 11397 PWs) bands (ev): -8.0805 -8.0791 -8.0293 -8.0257 -7.9790 -7.9758 -7.8515 -7.8452 -3.1637 -3.1494 -3.1269 -3.1176 -1.6430 -1.6156 -1.5109 -1.4574 -1.4323 -1.4118 -0.7712 -0.7582 0.3969 0.4318 0.4457 0.4694 0.4995 0.5177 0.6108 0.6326 0.7216 0.8448 0.9037 0.9621 1.0682 1.0886 1.1218 1.2415 1.3818 1.4725 1.5158 1.6004 1.6642 1.7405 1.7674 1.7826 2.1366 2.2741 2.4081 2.4714 2.6245 2.6745 2.7686 2.8309 2.9303 3.0140 3.0845 3.1098 3.3597 3.3872 3.5945 3.7081 3.8968 3.9632 6.5802 6.6731 8.2013 8.2873 8.4393 8.5241 8.6293 8.7182 9.2339 9.2823 9.7460 9.8753 k = 0.2458 0.5994 0.3467 ( 11398 PWs) bands (ev): -8.0859 -8.0845 -8.0268 -8.0239 -7.9749 -7.9714 -7.8522 -7.8459 -3.1634 -3.1498 -3.1260 -3.1171 -1.6420 -1.6156 -1.5092 -1.4577 -1.4305 -1.4110 -0.7674 -0.7553 0.3963 0.4304 0.4461 0.4694 0.4999 0.5166 0.6102 0.6310 0.7247 0.8491 0.9013 0.9572 1.0652 1.0871 1.1218 1.2354 1.3766 1.4694 1.5138 1.6005 1.6633 1.7312 1.7609 1.7819 2.1271 2.2639 2.4010 2.4716 2.6206 2.6738 2.7691 2.8318 2.9316 3.0126 3.1007 3.1272 3.3705 3.3983 3.5739 3.6875 3.9075 3.9747 6.5853 6.6749 8.2014 8.2805 8.4599 8.5601 8.6570 8.7479 9.2735 9.3214 9.7751 9.8617 k = 0.2235 0.5931 0.3545 ( 11388 PWs) bands (ev): -8.0913 -8.0900 -8.0264 -8.0241 -7.9685 -7.9646 -7.8533 -7.8469 -3.1631 -3.1503 -3.1251 -3.1166 -1.6408 -1.6157 -1.5072 -1.4582 -1.4286 -1.4102 -0.7637 -0.7525 0.3957 0.4291 0.4461 0.4697 0.5001 0.5159 0.6093 0.6296 0.7280 0.8524 0.8970 0.9539 1.0627 1.0871 1.1216 1.2286 1.3710 1.4660 1.5112 1.6002 1.6635 1.7220 1.7548 1.7818 2.1148 2.2499 2.3942 2.4694 2.6177 2.6771 2.7704 2.8315 2.9347 3.0160 3.1155 3.1521 3.3798 3.4078 3.5517 3.6653 3.9163 3.9848 6.5909 6.6762 8.2019 8.2733 8.4836 8.5993 8.6861 8.7799 9.3114 9.3592 9.7916 9.8586 k = 0.2011 0.5868 0.3622 ( 11391 PWs) bands (ev): -8.0965 -8.0952 -8.0274 -8.0256 -7.9605 -7.9563 -7.8547 -7.8482 -3.1627 -3.1508 -3.1240 -3.1162 -1.6395 -1.6159 -1.5049 -1.4590 -1.4266 -1.4095 -0.7600 -0.7497 0.3953 0.4280 0.4457 0.4701 0.5003 0.5154 0.6083 0.6284 0.7313 0.8527 0.8924 0.9533 1.0607 1.0885 1.1209 1.2215 1.3655 1.4625 1.5083 1.5994 1.6629 1.7134 1.7495 1.7819 2.1010 2.2324 2.3881 2.4643 2.6182 2.6836 2.7714 2.8298 2.9418 3.0220 3.1289 3.1824 3.3864 3.4144 3.5310 3.6443 3.9215 3.9918 6.5969 6.6769 8.2032 8.2668 8.5104 8.6387 8.7179 8.8134 9.3468 9.3954 9.7921 9.8671 k = 0.1788 0.5805 0.3700 ( 11375 PWs) bands (ev): -8.1013 -8.1001 -8.0291 -8.0277 -7.9519 -7.9473 -7.8565 -7.8500 -3.1623 -3.1514 -3.1230 -3.1158 -1.6380 -1.6163 -1.5023 -1.4600 -1.4246 -1.4089 -0.7565 -0.7471 0.3950 0.4271 0.4452 0.4706 0.5003 0.5150 0.6071 0.6276 0.7342 0.8472 0.8916 0.9550 1.0592 1.0908 1.1200 1.2143 1.3609 1.4586 1.5059 1.5985 1.6601 1.7052 1.7462 1.7821 2.0869 2.2120 2.3833 2.4571 2.6223 2.6922 2.7712 2.8283 2.9524 3.0295 3.1415 3.2148 3.3882 3.4180 3.5141 3.6281 3.9221 3.9950 6.6035 6.6772 8.2055 8.2616 8.5399 8.6739 8.7558 8.8482 9.3787 9.4299 9.7857 9.8750 k = 0.1564 0.5741 0.3778 ( 11376 PWs) bands (ev): -8.1056 -8.1045 -8.0311 -8.0300 -7.9430 -7.9382 -7.8587 -7.8522 -3.1618 -3.1520 -3.1219 -3.1155 -1.6364 -1.6168 -1.4995 -1.4613 -1.4226 -1.4085 -0.7531 -0.7448 0.3951 0.4261 0.4446 0.4709 0.5002 0.5146 0.6060 0.6269 0.7367 0.8359 0.8955 0.9582 1.0581 1.0935 1.1193 1.2071 1.3576 1.4537 1.5050 1.5974 1.6546 1.6968 1.7454 1.7821 2.0737 2.1895 2.3799 2.4485 2.6289 2.7016 2.7701 2.8285 2.9650 3.0376 3.1536 3.2458 3.3828 3.4216 3.4999 3.6200 3.9181 3.9939 6.6106 6.6772 8.2087 8.2576 8.5711 8.7016 8.8017 8.8837 9.4062 9.4630 9.7794 9.8732 k = 0.1341 0.5678 0.3855 ( 11380 PWs) bands (ev): -8.1094 -8.1084 -8.0332 -8.0323 -7.9342 -7.9291 -7.8613 -7.8549 -3.1612 -3.1527 -3.1208 -3.1153 -1.6348 -1.6175 -1.4965 -1.4629 -1.4206 -1.4082 -0.7499 -0.7426 0.3955 0.4249 0.4443 0.4707 0.5003 0.5140 0.6052 0.6262 0.7386 0.8221 0.9022 0.9618 1.0577 1.0953 1.1199 1.2001 1.3557 1.4471 1.5062 1.5961 1.6471 1.6873 1.7472 1.7817 2.0624 2.1662 2.3781 2.4395 2.6369 2.7101 2.7699 2.8305 2.9783 3.0459 3.1653 3.2707 3.3721 3.4287 3.4864 3.6215 3.9100 3.9883 6.6181 6.6767 8.2129 8.2547 8.6030 8.7220 8.8538 8.9200 9.4286 9.4951 9.7761 9.8613 k = 0.1117 0.5615 0.3933 ( 11375 PWs) bands (ev): -8.1126 -8.1118 -8.0351 -8.0344 -7.9256 -7.9204 -7.8643 -7.8580 -3.1606 -3.1534 -3.1198 -3.1151 -1.6331 -1.6183 -1.4933 -1.4647 -1.4187 -1.4082 -0.7470 -0.7408 0.3964 0.4233 0.4447 0.4700 0.5006 0.5132 0.6050 0.6252 0.7403 0.8078 0.9105 0.9649 1.0580 1.0950 1.1229 1.1934 1.3557 1.4387 1.5100 1.5945 1.6386 1.6770 1.7506 1.7810 2.0537 2.1432 2.3777 2.4304 2.6453 2.7148 2.7734 2.8335 2.9917 3.0536 3.1765 3.2830 3.3632 3.4361 3.4782 3.6303 3.8990 3.9784 6.6259 6.6758 8.2178 8.2527 8.6342 8.7367 8.9083 8.9569 9.4463 9.5264 9.7768 9.8420 k = 0.0894 0.5551 0.4011 ( 11378 PWs) bands (ev): -8.1153 -8.1146 -8.0367 -8.0362 -7.9175 -7.9121 -7.8678 -7.8616 -3.1600 -3.1541 -3.1188 -3.1150 -1.6313 -1.6193 -1.4901 -1.4667 -1.4169 -1.4083 -0.7444 -0.7394 0.3978 0.4210 0.4460 0.4686 0.5012 0.5122 0.6054 0.6238 0.7419 0.7942 0.9195 0.9667 1.0592 1.0925 1.1282 1.1867 1.3576 1.4289 1.5162 1.5918 1.6307 1.6662 1.7547 1.7799 2.0481 2.1216 2.3785 2.4216 2.6538 2.7142 2.7819 2.8364 3.0047 3.0598 3.1873 3.2804 3.3604 3.4301 3.4907 3.6412 3.8872 3.9647 6.6337 6.6743 8.2230 8.2512 8.6634 8.7466 8.9607 8.9942 9.4610 9.5560 9.7815 9.8179 k = 0.0670 0.5488 0.4088 ( 11383 PWs) bands (ev): -8.1174 -8.1169 -8.0381 -8.0377 -7.9098 -7.9044 -7.8717 -7.8656 -3.1593 -3.1549 -3.1180 -3.1151 -1.6296 -1.6205 -1.4868 -1.4690 -1.4152 -1.4087 -0.7421 -0.7384 0.3997 0.4181 0.4480 0.4665 0.5021 0.5109 0.6066 0.6219 0.7438 0.7819 0.9288 0.9667 1.0616 1.0885 1.1351 1.1801 1.3616 1.4180 1.5244 1.5870 1.6252 1.6556 1.7591 1.7783 2.0458 2.1019 2.3805 2.4133 2.6623 2.7096 2.7938 2.8380 3.0173 3.0633 3.1978 3.2690 3.3614 3.4150 3.5191 3.6490 3.8779 3.9480 6.6413 6.6721 8.2284 8.2497 8.6894 8.7520 9.0064 9.0306 9.4760 9.5813 9.7868 9.7958 k = 0.0447 0.5425 0.4166 ( 11384 PWs) bands (ev): -8.1188 -8.1185 -8.0390 -8.0387 -7.9027 -7.8975 -7.8757 -7.8701 -3.1586 -3.1556 -3.1172 -3.1152 -1.6279 -1.6218 -1.4836 -1.4716 -1.4136 -1.4092 -0.7403 -0.7378 0.4021 0.4149 0.4507 0.4638 0.5033 0.5094 0.6085 0.6195 0.7465 0.7713 0.9379 0.9645 1.0649 1.0838 1.1428 1.1733 1.3676 1.4067 1.5343 1.5791 1.6235 1.6457 1.7633 1.7762 2.0470 2.0848 2.3836 2.4057 2.6707 2.7030 2.8064 2.8374 3.0296 3.0632 3.2081 3.2554 3.3640 3.3993 3.5526 3.6485 3.8747 3.9292 6.6484 6.6692 8.2336 8.2478 8.7114 8.7531 9.0426 9.0614 9.4955 9.5942 9.7726 9.8046 k = 0.0223 0.5361 0.4244 ( 11379 PWs) bands (ev): -8.1197 -8.1195 -8.0396 -8.0394 -7.8965 -7.8924 -7.8791 -7.8748 -3.1579 -3.1564 -3.1165 -3.1155 -1.6263 -1.6232 -1.4804 -1.4744 -1.4122 -1.4100 -0.7389 -0.7377 0.4049 0.4115 0.4539 0.4607 0.5047 0.5078 0.6110 0.6168 0.7504 0.7626 0.9465 0.9602 1.0691 1.0788 1.1508 1.1662 1.3755 1.3955 1.5454 1.5687 1.6254 1.6371 1.7672 1.7737 2.0515 2.0706 2.3878 2.3988 2.6790 2.6953 2.8181 2.8339 3.0412 3.0590 3.2187 3.2422 3.3685 3.3859 3.5858 3.6370 3.8800 3.9101 6.6548 6.6653 8.2382 8.2454 8.7289 8.7497 9.0684 9.0797 9.5225 9.5842 9.7772 9.8200 k = 0.0000 0.5298 0.4321 ( 11384 PWs) bands (ev): -8.1199 -8.1199 -8.0397 -8.0397 -7.8921 -7.8921 -7.8788 -7.8788 -3.1571 -3.1571 -3.1160 -3.1160 -1.6247 -1.6247 -1.4773 -1.4773 -1.4110 -1.4110 -0.7381 -0.7381 0.4081 0.4081 0.4573 0.4573 0.5062 0.5062 0.6139 0.6139 0.7556 0.7556 0.9541 0.9541 1.0738 1.0738 1.1586 1.1586 1.3849 1.3849 1.5571 1.5571 1.6301 1.6301 1.7707 1.7707 2.0595 2.0595 2.3929 2.3929 2.6873 2.6873 2.8274 2.8274 3.0514 3.0514 3.2300 3.2300 3.3756 3.3756 3.6151 3.6151 3.8927 3.8927 6.6605 6.6605 8.2422 8.2422 8.7417 8.7417 9.0818 9.0818 9.5552 9.5552 9.8056 9.8056 k = 0.0000 0.5298 0.4321 ( 11384 PWs) bands (ev): -8.1199 -8.1199 -8.0397 -8.0397 -7.8921 -7.8921 -7.8788 -7.8788 -3.1571 -3.1571 -3.1160 -3.1160 -1.6247 -1.6247 -1.4773 -1.4773 -1.4110 -1.4110 -0.7381 -0.7381 0.4081 0.4081 0.4573 0.4573 0.5062 0.5062 0.6139 0.6139 0.7556 0.7556 0.9541 0.9541 1.0738 1.0738 1.1586 1.1586 1.3849 1.3849 1.5571 1.5571 1.6301 1.6301 1.7707 1.7707 2.0595 2.0595 2.3929 2.3929 2.6873 2.6873 2.8274 2.8274 3.0514 3.0514 3.2300 3.2300 3.3756 3.3756 3.6151 3.6151 3.8927 3.8927 6.6605 6.6605 8.2422 8.2422 8.7417 8.7417 9.0818 9.0818 9.5552 9.5552 9.8056 9.8056 k = 0.0100 0.5157 0.4494 ( 11392 PWs) bands (ev): -8.1197 -8.1196 -8.0396 -8.0395 -7.8923 -7.8922 -7.8790 -7.8789 -3.1571 -3.1570 -3.1164 -3.1155 -1.6257 -1.6235 -1.4775 -1.4771 -1.4112 -1.4108 -0.7389 -0.7379 0.4053 0.4106 0.4551 0.4589 0.5014 0.5106 0.6092 0.6188 0.7544 0.7564 0.9489 0.9580 1.0703 1.0743 1.1543 1.1641 1.3771 1.3923 1.5486 1.5628 1.6268 1.6316 1.7577 1.7822 2.0559 2.0672 2.3862 2.4035 2.6760 2.6892 2.8165 2.8449 3.0356 3.0722 3.2207 3.2430 3.3760 3.3794 3.6123 3.6181 3.8904 3.8939 6.6541 6.6626 8.2307 8.2447 8.7283 8.7509 9.0801 9.0880 9.5517 9.5599 9.8054 9.8105 k = 0.0200 0.5016 0.4667 ( 11398 PWs) bands (ev): -8.1191 -8.1189 -8.0393 -8.0389 -7.8928 -7.8926 -7.8797 -7.8794 -3.1571 -3.1568 -3.1169 -3.1150 -1.6264 -1.6221 -1.4776 -1.4769 -1.4112 -1.4104 -0.7404 -0.7384 0.4021 0.4128 0.4526 0.4599 0.4964 0.5143 0.6051 0.6239 0.7528 0.7567 0.9428 0.9604 1.0642 1.0721 1.1514 1.1700 1.3692 1.3993 1.5380 1.5651 1.6224 1.6304 1.7444 1.7913 2.0570 2.0789 2.3827 2.4184 2.6578 2.6813 2.8153 2.8638 3.0274 3.0957 3.2159 3.2588 3.3810 3.3871 3.6096 3.6214 3.8871 3.8940 6.6433 6.6603 8.2111 8.2378 8.7119 8.7544 9.0836 9.0986 9.5498 9.5659 9.8085 9.8181 k = 0.0300 0.4875 0.4840 ( 11388 PWs) bands (ev): -8.1181 -8.1177 -8.0386 -8.0381 -7.8936 -7.8933 -7.8807 -7.8803 -3.1569 -3.1565 -3.1173 -3.1145 -1.6269 -1.6206 -1.4777 -1.4766 -1.4111 -1.4099 -0.7426 -0.7396 0.3986 0.4148 0.4496 0.4599 0.4916 0.5173 0.6017 0.6290 0.7509 0.7565 0.9359 0.9611 1.0558 1.0674 1.1502 1.1759 1.3612 1.4059 1.5259 1.5637 1.6178 1.6262 1.7316 1.7970 2.0626 2.0939 2.3809 2.4375 2.6349 2.6674 2.8228 2.8806 3.0286 3.1201 3.2162 3.2763 3.3906 3.3984 3.6070 3.6253 3.8828 3.8932 6.6286 6.6538 8.1847 8.2220 8.6923 8.7501 9.0924 9.1136 9.5499 9.5731 9.8122 9.8222 k = 0.0400 0.4734 0.5013 ( 11388 PWs) bands (ev): -8.1166 -8.1161 -8.0377 -8.0370 -7.8947 -7.8943 -7.8821 -7.8815 -3.1566 -3.1562 -3.1177 -3.1141 -1.6272 -1.6189 -1.4778 -1.4763 -1.4110 -1.4093 -0.7454 -0.7414 0.3947 0.4164 0.4462 0.4587 0.4874 0.5194 0.5990 0.6340 0.7487 0.7557 0.9287 0.9600 1.0453 1.0611 1.1502 1.1815 1.3534 1.4119 1.5130 1.5589 1.6133 1.6188 1.7195 1.7990 2.0723 2.1116 2.3791 2.4601 2.6093 2.6529 2.8360 2.8944 3.0392 3.1438 3.2219 3.2945 3.4045 3.4127 3.6049 3.6300 3.8776 3.8915 6.6103 6.6434 8.1529 8.1984 8.6689 8.7372 9.1057 9.1335 9.5522 9.5819 9.8143 9.8226 k = 0.0500 0.4593 0.5185 ( 11398 PWs) bands (ev): -8.1147 -8.1140 -8.0364 -8.0356 -7.8961 -7.8957 -7.8838 -7.8831 -3.1563 -3.1557 -3.1181 -3.1136 -1.6273 -1.6170 -1.4778 -1.4760 -1.4107 -1.4087 -0.7488 -0.7439 0.3904 0.4177 0.4423 0.4558 0.4840 0.5206 0.5974 0.6389 0.7461 0.7542 0.9212 0.9573 1.0334 1.0538 1.1509 1.1865 1.3457 1.4173 1.4997 1.5513 1.6076 1.6102 1.7080 1.7976 2.0849 2.1308 2.3755 2.4849 2.5836 2.6428 2.8528 2.9062 3.0571 3.1660 3.2328 3.3125 3.4211 3.4302 3.6034 3.6360 3.8716 3.8889 6.5887 6.6293 8.1172 8.1686 8.6407 8.7152 9.1225 9.1585 9.5570 9.5927 9.8156 9.8232 k = 0.0600 0.4452 0.5358 ( 11398 PWs) bands (ev): -8.1123 -8.1116 -8.0349 -8.0339 -7.8978 -7.8974 -7.8858 -7.8850 -3.1559 -3.1552 -3.1184 -3.1132 -1.6271 -1.6151 -1.4778 -1.4756 -1.4103 -1.4079 -0.7527 -0.7469 0.3855 0.4184 0.4378 0.4517 0.4817 0.5209 0.5967 0.6435 0.7430 0.7523 0.9136 0.9530 1.0206 1.0460 1.1519 1.1911 1.3382 1.4219 1.4863 1.5419 1.5961 1.6057 1.6967 1.7935 2.0986 2.1497 2.3697 2.5087 2.5618 2.6403 2.8721 2.9181 3.0795 3.1871 3.2476 3.3302 3.4379 3.4511 3.6032 3.6439 3.8649 3.8858 6.5644 6.6120 8.0787 8.1343 8.6073 8.6848 9.1416 9.1879 9.5643 9.6058 9.8176 9.8248 k = 0.0700 0.4311 0.5531 ( 11400 PWs) bands (ev): -8.1096 -8.1087 -8.0331 -8.0320 -7.8999 -7.8994 -7.8882 -7.8872 -3.1555 -3.1545 -3.1187 -3.1128 -1.6266 -1.6131 -1.4777 -1.4753 -1.4098 -1.4071 -0.7570 -0.7504 0.3802 0.4185 0.4325 0.4467 0.4799 0.5205 0.5968 0.6478 0.7393 0.7502 0.9059 0.9477 1.0077 1.0381 1.1527 1.1952 1.3309 1.4256 1.4733 1.5316 1.5830 1.6019 1.6854 1.7873 2.1109 2.1656 2.3634 2.5175 2.5590 2.6470 2.8934 2.9315 3.1043 3.2081 3.2643 3.3476 3.4535 3.4744 3.6048 3.6539 3.8580 3.8824 6.5380 6.5919 8.0385 8.0969 8.5684 8.6471 9.1623 9.2204 9.5738 9.6213 9.8212 9.8283 k = 0.0800 0.4170 0.5704 ( 11402 PWs) bands (ev): -8.1064 -8.1054 -8.0310 -8.0298 -7.9023 -7.9017 -7.8908 -7.8896 -3.1549 -3.1539 -3.1189 -3.1124 -1.6260 -1.6111 -1.4776 -1.4748 -1.4093 -1.4063 -0.7618 -0.7544 0.3744 0.4172 0.4268 0.4418 0.4784 0.5195 0.5977 0.6518 0.7348 0.7481 0.8981 0.9415 0.9951 1.0303 1.1531 1.1987 1.3236 1.4282 1.4609 1.5211 1.5693 1.5981 1.6742 1.7798 2.1181 2.1753 2.3611 2.5081 2.5798 2.6622 2.9164 2.9470 3.1303 3.2297 3.2811 3.3648 3.4671 3.4979 3.6090 3.6664 3.8511 3.8788 6.5100 6.5696 7.9975 8.0578 8.5245 8.6031 9.1840 9.2548 9.5850 9.6392 9.8258 9.8349 k = 0.0900 0.4029 0.5877 ( 11396 PWs) bands (ev): -8.1029 -8.1017 -8.0287 -8.0273 -7.9051 -7.9044 -7.8937 -7.8923 -3.1544 -3.1531 -3.1191 -3.1120 -1.6251 -1.6090 -1.4775 -1.4744 -1.4087 -1.4053 -0.7668 -0.7588 0.3682 0.4136 0.4210 0.4376 0.4769 0.5182 0.5990 0.6554 0.7297 0.7462 0.8902 0.9350 0.9835 1.0230 1.1529 1.2017 1.3162 1.4290 1.4500 1.5109 1.5556 1.5945 1.6634 1.7716 2.1166 2.1764 2.3669 2.5017 2.6053 2.6840 2.9408 2.9648 3.1569 3.2520 3.2969 3.3820 3.4783 3.5197 3.6167 3.6813 3.8447 3.8755 6.4809 6.5456 7.9565 8.0182 8.4762 8.5540 9.2062 9.2898 9.5974 9.6592 9.8313 9.8458 k = 0.1000 0.3888 0.6050 ( 11390 PWs) bands (ev): -8.0989 -8.0977 -8.0262 -8.0247 -7.9083 -7.9074 -7.8967 -7.8952 -3.1538 -3.1524 -3.1192 -3.1117 -1.6240 -1.6070 -1.4773 -1.4739 -1.4081 -1.4044 -0.7721 -0.7635 0.3616 0.4071 0.4155 0.4347 0.4753 0.5164 0.6007 0.6584 0.7243 0.7446 0.8823 0.9281 0.9733 1.0168 1.1517 1.2040 1.3085 1.4265 1.4423 1.5013 1.5425 1.5907 1.6534 1.7631 2.1044 2.1690 2.3820 2.5047 2.6308 2.7101 2.9662 2.9847 3.1839 3.2741 3.3114 3.3990 3.4869 3.5384 3.6281 3.6979 3.8393 3.8730 6.4514 6.5203 7.9163 7.9788 8.4245 8.5010 9.2282 9.3241 9.6103 9.6809 9.8384 9.8612 k = 0.1100 0.3747 0.6223 ( 11396 PWs) bands (ev): -8.0947 -8.0934 -8.0234 -8.0218 -7.9118 -7.9108 -7.8999 -7.8983 -3.1532 -3.1516 -3.1193 -3.1114 -1.6227 -1.6050 -1.4770 -1.4734 -1.4075 -1.4033 -0.7775 -0.7684 0.3546 0.3990 0.4090 0.4329 0.4736 0.5143 0.6024 0.6607 0.7187 0.7433 0.8746 0.9210 0.9649 1.0118 1.1496 1.2055 1.3003 1.4201 1.4383 1.4927 1.5302 1.5867 1.6446 1.7546 2.0829 2.1545 2.4049 2.5173 2.6559 2.7382 2.9919 3.0063 3.2110 3.2945 3.3257 3.4160 3.4934 3.5528 3.6429 3.7156 3.8357 3.8715 6.4219 6.4942 7.8774 7.9406 8.3701 8.4452 9.2495 9.3567 9.6232 9.7037 9.8477 9.8813 k = 0.1200 0.3606 0.6395 ( 11386 PWs) bands (ev): -8.0901 -8.0887 -8.0205 -8.0188 -7.9157 -7.9145 -7.9033 -7.9015 -3.1526 -3.1507 -3.1193 -3.1112 -1.6212 -1.6032 -1.4767 -1.4729 -1.4069 -1.4023 -0.7830 -0.7735 0.3474 0.3903 0.4015 0.4319 0.4719 0.5117 0.6043 0.6623 0.7135 0.7424 0.8673 0.9133 0.9585 1.0083 1.1463 1.2059 1.2916 1.4129 1.4353 1.4851 1.5192 1.5822 1.6377 1.7464 2.0551 2.1345 2.4332 2.5379 2.6805 2.7670 3.0166 3.0296 3.2375 3.3120 3.3409 3.4330 3.4984 3.5629 3.6598 3.7333 3.8345 3.8715 6.3930 6.4676 7.8404 7.9040 8.3142 8.3875 9.2697 9.3867 9.6360 9.7271 9.8599 9.9060 k = 0.1300 0.3465 0.6568 ( 11386 PWs) bands (ev): -8.0852 -8.0837 -8.0174 -8.0156 -7.9199 -7.9185 -7.9068 -7.9048 -3.1520 -3.1499 -3.1193 -3.1111 -1.6196 -1.6015 -1.4764 -1.4723 -1.4064 -1.4012 -0.7884 -0.7786 0.3401 0.3813 0.3931 0.4312 0.4702 0.5085 0.6060 0.6631 0.7088 0.7420 0.8611 0.9054 0.9540 1.0065 1.1417 1.2048 1.2828 1.4065 1.4315 1.4787 1.5099 1.5769 1.6328 1.7388 2.0239 2.1108 2.4651 2.5639 2.7044 2.7956 3.0384 3.0543 3.2619 3.3281 3.3561 3.4505 3.5025 3.5694 3.6775 3.7502 3.8361 3.8732 6.3651 6.4411 7.8058 7.8698 8.2574 8.3290 9.2883 9.4131 9.6489 9.7503 9.8756 9.9349 k = 0.1400 0.3324 0.6741 ( 11392 PWs) bands (ev): -8.0801 -8.0785 -8.0142 -8.0123 -7.9244 -7.9229 -7.9104 -7.9082 -3.1513 -3.1491 -3.1191 -3.1110 -1.6179 -1.5999 -1.4760 -1.4718 -1.4058 -1.4002 -0.7937 -0.7837 0.3328 0.3724 0.3842 0.4305 0.4684 0.5047 0.6078 0.6631 0.7045 0.7422 0.8560 0.8972 0.9513 1.0061 1.1361 1.2018 1.2744 1.4016 1.4263 1.4732 1.5025 1.5708 1.6301 1.7317 1.9914 2.0852 2.4990 2.5931 2.7277 2.8237 3.0564 3.0797 3.2818 3.3469 3.3692 3.4678 3.5062 3.5743 3.6945 3.7652 3.8408 3.8765 6.3387 6.4148 7.7740 7.8382 8.2006 8.2704 9.3050 9.4351 9.6625 9.7728 9.8952 9.9676 k = 0.1500 0.3183 0.6914 ( 11396 PWs) bands (ev): -8.0747 -8.0731 -8.0109 -8.0089 -7.9292 -7.9274 -7.9141 -7.9118 -3.1508 -3.1483 -3.1190 -3.1110 -1.6160 -1.5985 -1.4756 -1.4712 -1.4054 -1.3992 -0.7989 -0.7888 0.3255 0.3637 0.3749 0.4299 0.4667 0.5003 0.6095 0.6625 0.7006 0.7428 0.8526 0.8893 0.9501 1.0071 1.1295 1.1964 1.2670 1.3980 1.4201 1.4686 1.4970 1.5640 1.6293 1.7254 1.9587 2.0591 2.5339 2.6240 2.7500 2.8513 3.0699 3.1043 3.2958 3.3682 3.3816 3.4824 3.5102 3.5809 3.7102 3.7778 3.8481 3.8812 6.3141 6.3893 7.7453 7.8097 8.1446 8.2126 9.3195 9.4522 9.6777 9.7942 9.9183 10.0033 k = 0.1600 0.3042 0.7087 ( 11402 PWs) bands (ev): -8.0691 -8.0675 -8.0075 -8.0055 -7.9341 -7.9321 -7.9179 -7.9154 -3.1502 -3.1475 -3.1187 -3.1110 -1.6141 -1.5974 -1.4752 -1.4706 -1.4049 -1.3982 -0.8038 -0.7936 0.3186 0.3553 0.3655 0.4292 0.4650 0.4956 0.6113 0.6615 0.6970 0.7438 0.8510 0.8819 0.9499 1.0091 1.1223 1.1887 1.2611 1.3951 1.4136 1.4648 1.4932 1.5566 1.6302 1.7200 1.9268 2.0336 2.5688 2.6554 2.7712 2.8786 3.0785 3.1270 3.3050 3.3792 3.4053 3.4886 3.5171 3.5933 3.7238 3.7879 3.8572 3.8867 6.2917 6.3646 7.7202 7.7846 8.0902 8.1561 9.3317 9.4643 9.6950 9.8143 9.9447 10.0414 k = 0.1700 0.2901 0.7260 ( 11398 PWs) bands (ev): -8.0634 -8.0617 -8.0042 -8.0022 -7.9390 -7.9368 -7.9217 -7.9191 -3.1497 -3.1468 -3.1184 -3.1111 -1.6121 -1.5964 -1.4747 -1.4701 -1.4045 -1.3972 -0.8083 -0.7982 0.3121 0.3473 0.3564 0.4285 0.4635 0.4905 0.6132 0.6601 0.6937 0.7450 0.8513 0.8753 0.9505 1.0118 1.1147 1.1789 1.2568 1.3915 1.4085 1.4617 1.4906 1.5489 1.6325 1.7154 1.8963 2.0093 2.6028 2.6867 2.7912 2.9056 3.0824 3.1470 3.3100 3.3835 3.4353 3.4846 3.5286 3.6128 3.7351 3.7958 3.8668 3.8922 6.2718 6.3411 7.6990 7.7631 8.0379 8.1017 9.3416 9.4719 9.7144 9.8328 9.9737 10.0810 k = 0.1800 0.2760 0.7433 ( 11394 PWs) bands (ev): -8.0576 -8.0558 -8.0010 -7.9991 -7.9439 -7.9415 -7.9256 -7.9229 -3.1492 -3.1461 -3.1180 -3.1113 -1.6101 -1.5957 -1.4743 -1.4696 -1.4042 -1.3964 -0.8124 -0.8024 0.3062 0.3398 0.3477 0.4277 0.4620 0.4855 0.6153 0.6583 0.6907 0.7461 0.8533 0.8698 0.9514 1.0148 1.1074 1.1681 1.2536 1.3858 1.4064 1.4591 1.4890 1.5410 1.6360 1.7117 1.8676 1.9868 2.6350 2.7174 2.8097 2.9318 3.0825 3.1641 3.3101 3.3867 3.4605 3.4799 3.5430 3.6369 3.7442 3.8016 3.8757 3.8971 6.2546 6.3191 7.6817 7.7455 7.9885 8.0500 9.3493 9.4758 9.7356 9.8494 10.0047 10.1214 k = 0.1900 0.2619 0.7605 ( 11390 PWs) bands (ev): -8.0517 -8.0500 -7.9982 -7.9962 -7.9485 -7.9459 -7.9294 -7.9266 -3.1488 -3.1455 -3.1175 -3.1115 -1.6082 -1.5953 -1.4738 -1.4692 -1.4039 -1.3956 -0.8161 -0.8063 0.3010 0.3326 0.3399 0.4268 0.4608 0.4806 0.6176 0.6562 0.6881 0.7471 0.8568 0.8653 0.9521 1.0178 1.1004 1.1570 1.2514 1.3784 1.4069 1.4569 1.4881 1.5330 1.6406 1.7087 1.8412 1.9667 2.6647 2.7470 2.8269 2.9564 3.0804 3.1785 3.3046 3.3891 3.4572 3.5010 3.5600 3.6627 3.7514 3.8059 3.8831 3.9008 6.2402 6.2987 7.6687 7.7318 7.9428 8.0015 9.3549 9.4770 9.7579 9.8636 10.0373 10.1617 k = 0.2000 0.2478 0.7778 ( 11394 PWs) bands (ev): -8.0459 -8.0442 -7.9958 -7.9940 -7.9525 -7.9497 -7.9333 -7.9304 -3.1484 -3.1450 -3.1170 -3.1118 -1.6062 -1.5951 -1.4734 -1.4688 -1.4036 -1.3950 -0.8193 -0.8097 0.2966 0.3258 0.3333 0.4258 0.4598 0.4761 0.6201 0.6536 0.6860 0.7477 0.8602 0.8633 0.9523 1.0208 1.0940 1.1467 1.2498 1.3706 1.4088 1.4552 1.4876 1.5253 1.6461 1.7064 1.8172 1.9491 2.6911 2.7747 2.8430 2.9772 3.0783 3.1907 3.2943 3.3864 3.4507 3.5268 3.5788 3.6872 3.7577 3.8088 3.8883 3.9029 6.2289 6.2802 7.6599 7.7218 7.9014 7.9568 9.3589 9.4763 9.7806 9.8749 10.0708 10.1998 k = 0.2100 0.2337 0.7951 ( 11396 PWs) bands (ev): -8.0403 -8.0386 -7.9942 -7.9925 -7.9557 -7.9528 -7.9370 -7.9342 -3.1481 -3.1446 -3.1165 -3.1122 -1.6044 -1.5952 -1.4730 -1.4685 -1.4034 -1.3944 -0.8219 -0.8126 0.2931 0.3196 0.3278 0.4248 0.4592 0.4720 0.6228 0.6506 0.6845 0.7481 0.8588 0.8679 0.9516 1.0238 1.0880 1.1378 1.2487 1.3632 1.4113 1.4537 1.4875 1.5181 1.6523 1.7045 1.7961 1.9343 2.7138 2.7993 2.8587 2.9909 3.0799 3.2020 3.2808 3.3745 3.4521 3.5491 3.5982 3.7077 3.7647 3.8107 3.8911 3.9032 6.2206 6.2637 7.6552 7.7153 7.8655 7.9164 9.3615 9.4746 9.8029 9.8828 10.1047 10.2302 k = 0.2200 0.2196 0.8124 ( 11398 PWs) bands (ev): -8.0352 -8.0335 -7.9937 -7.9920 -7.9576 -7.9547 -7.9405 -7.9377 -3.1478 -3.1443 -3.1160 -3.1126 -1.6026 -1.5955 -1.4727 -1.4683 -1.4032 -1.3940 -0.8240 -0.8148 0.2906 0.3142 0.3237 0.4240 0.4590 0.4686 0.6256 0.6474 0.6834 0.7482 0.8572 0.8737 0.9501 1.0269 1.0825 1.1311 1.2479 1.3568 1.4141 1.4524 1.4878 1.5116 1.6590 1.7029 1.7783 1.9226 2.7322 2.8189 2.8745 2.9951 3.0871 3.2135 3.2663 3.3561 3.4588 3.5672 3.6159 3.7216 3.7739 3.8121 3.8920 3.9018 6.2154 6.2494 7.6543 7.7114 7.8367 7.8810 9.3631 9.4726 9.8239 9.8866 10.1375 10.2511 k = 0.2300 0.2055 0.8297 ( 11390 PWs) bands (ev): -8.0308 -8.0292 -7.9941 -7.9924 -7.9581 -7.9555 -7.9434 -7.9410 -3.1477 -3.1440 -3.1154 -3.1131 -1.6010 -1.5961 -1.4724 -1.4681 -1.4031 -1.3937 -0.8255 -0.8165 0.2889 0.3101 0.3207 0.4233 0.4592 0.4657 0.6285 0.6442 0.6827 0.7483 0.8563 0.8790 0.9479 1.0300 1.0774 1.1265 1.2475 1.3519 1.4165 1.4515 1.4883 1.5063 1.6656 1.7011 1.7644 1.9141 2.7458 2.8324 2.8903 2.9916 3.0978 3.2256 3.2530 3.3359 3.4663 3.5807 3.6299 3.7291 3.7843 3.8137 3.8914 3.8992 6.2131 6.2378 7.6564 7.7087 7.8172 7.8513 9.3640 9.4707 9.8430 9.8862 10.1667 10.2664 k = 0.2400 0.1914 0.8470 ( 11384 PWs) bands (ev): -8.0277 -8.0262 -7.9949 -7.9932 -7.9575 -7.9558 -7.9453 -7.9437 -3.1476 -3.1439 -3.1148 -3.1136 -1.5997 -1.5969 -1.4722 -1.4680 -1.4030 -1.3935 -0.8264 -0.8175 0.2879 0.3074 0.3190 0.4228 0.4597 0.4636 0.6312 0.6413 0.6824 0.7482 0.8558 0.8828 0.9460 1.0326 1.0735 1.1240 1.2473 1.3487 1.4182 1.4508 1.4889 1.5027 1.6712 1.6993 1.7554 1.9089 2.7542 2.8399 2.9033 2.9854 3.1069 3.2370 3.2433 3.3186 3.4717 3.5891 3.6387 3.7324 3.7920 3.8156 3.8905 3.8965 6.2132 6.2293 7.6597 7.7062 7.8092 7.8283 9.3645 9.4695 9.8593 9.8815 10.1879 10.2763 k = 0.2500 0.1773 0.8642 ( 11392 PWs) bands (ev): -8.0266 -8.0251 -7.9952 -7.9936 -7.9567 -7.9563 -7.9456 -7.9451 -3.1475 -3.1438 -3.1145 -3.1139 -1.5989 -1.5974 -1.4722 -1.4680 -1.4030 -1.3934 -0.8267 -0.8179 0.2876 0.3065 0.3184 0.4226 0.4602 0.4625 0.6325 0.6399 0.6822 0.7482 0.8556 0.8842 0.9452 1.0336 1.0720 1.1232 1.2472 1.3476 1.4188 1.4505 1.4892 1.5013 1.6734 1.6984 1.7522 1.9072 2.7571 2.8423 2.9087 2.9823 3.1104 3.2392 3.2430 3.3109 3.4736 3.5920 3.6417 3.7333 3.7947 3.8167 3.8900 3.8953 6.2139 6.2257 7.6615 7.7048 7.8121 7.8150 9.3646 9.4690 9.8708 9.8738 10.1959 10.2798 k = 0.2500 0.1773 0.8642 ( 11392 PWs) bands (ev): -8.0266 -8.0251 -7.9952 -7.9936 -7.9567 -7.9563 -7.9456 -7.9451 -3.1475 -3.1438 -3.1145 -3.1139 -1.5989 -1.5974 -1.4722 -1.4680 -1.4030 -1.3934 -0.8267 -0.8179 0.2876 0.3065 0.3184 0.4226 0.4602 0.4625 0.6325 0.6399 0.6822 0.7482 0.8556 0.8842 0.9452 1.0336 1.0720 1.1232 1.2472 1.3476 1.4188 1.4505 1.4892 1.5013 1.6734 1.6984 1.7522 1.9072 2.7571 2.8423 2.9087 2.9823 3.1104 3.2392 3.2430 3.3109 3.4736 3.5920 3.6417 3.7333 3.7947 3.8167 3.8900 3.8953 6.2139 6.2257 7.6615 7.7048 7.8121 7.8150 9.3646 9.4690 9.8708 9.8738 10.1959 10.2798 k = 0.2656 0.1884 0.8507 ( 11386 PWs) bands (ev): -8.0269 -8.0254 -7.9951 -7.9935 -7.9571 -7.9560 -7.9456 -7.9446 -3.1475 -3.1438 -3.1146 -3.1138 -1.5992 -1.5972 -1.4722 -1.4681 -1.4029 -1.3934 -0.8267 -0.8179 0.2878 0.3067 0.3187 0.4220 0.4604 0.4630 0.6321 0.6406 0.6824 0.7480 0.8554 0.8842 0.9450 1.0339 1.0712 1.1248 1.2469 1.3475 1.4190 1.4505 1.4891 1.5014 1.6732 1.6971 1.7568 1.9089 2.7532 2.8324 2.9113 2.9758 3.1160 3.2235 3.2596 3.3146 3.4740 3.5923 3.6411 3.7331 3.7926 3.8187 3.8886 3.8981 6.2118 6.2247 7.6624 7.7068 7.8097 7.8198 9.3668 9.4713 9.8643 9.8759 10.1942 10.2719 k = 0.2812 0.1995 0.8371 ( 11388 PWs) bands (ev): -8.0277 -8.0262 -7.9949 -7.9932 -7.9575 -7.9559 -7.9452 -7.9437 -3.1475 -3.1439 -3.1149 -3.1136 -1.5997 -1.5969 -1.4723 -1.4682 -1.4027 -1.3934 -0.8268 -0.8180 0.2882 0.3074 0.3198 0.4202 0.4609 0.4641 0.6312 0.6426 0.6829 0.7474 0.8550 0.8840 0.9445 1.0347 1.0693 1.1291 1.2461 1.3471 1.4197 1.4503 1.4888 1.5015 1.6728 1.6948 1.7686 1.9137 2.7420 2.8099 2.9132 2.9589 3.1275 3.2103 3.2744 3.3271 3.4755 3.5934 3.6391 3.7321 3.7873 3.8233 3.8871 3.9043 6.2062 6.2211 7.6654 7.7123 7.8099 7.8271 9.3731 9.4783 9.8532 9.8744 10.1895 10.2520 k = 0.2969 0.2106 0.8235 ( 11400 PWs) bands (ev): -8.0287 -8.0273 -7.9946 -7.9929 -7.9579 -7.9558 -7.9445 -7.9427 -3.1476 -3.1440 -3.1152 -3.1134 -1.6003 -1.5966 -1.4724 -1.4684 -1.4025 -1.3934 -0.8268 -0.8181 0.2887 0.3083 0.3218 0.4175 0.4614 0.4660 0.6301 0.6454 0.6834 0.7464 0.8546 0.8836 0.9444 1.0360 1.0672 1.1358 1.2449 1.3464 1.4209 1.4501 1.4883 1.5017 1.6724 1.6936 1.7849 1.9215 2.7241 2.7824 2.9077 2.9373 3.1373 3.2031 3.2873 3.3457 3.4786 3.5955 3.6358 3.7301 3.7800 3.8280 3.8874 3.9127 6.1979 6.2143 7.6705 7.7204 7.8141 7.8363 9.3834 9.4899 9.8393 9.8695 10.1815 10.2264 k = 0.3125 0.2217 0.8099 ( 11403 PWs) bands (ev): -8.0299 -8.0285 -7.9943 -7.9927 -7.9581 -7.9557 -7.9437 -7.9418 -3.1477 -3.1442 -3.1154 -3.1132 -1.6010 -1.5964 -1.4727 -1.4685 -1.4021 -1.3935 -0.8267 -0.8182 0.2894 0.3091 0.3249 0.4143 0.4617 0.4686 0.6290 0.6486 0.6835 0.7453 0.8543 0.8829 0.9451 1.0375 1.0656 1.1440 1.2433 1.3453 1.4227 1.4499 1.4875 1.5021 1.6722 1.6939 1.8044 1.9318 2.7004 2.7533 2.8915 2.9155 3.1432 3.2011 3.3014 3.3643 3.4837 3.5985 3.6312 3.7273 3.7716 3.8310 3.8908 3.9232 6.1879 6.2044 7.6774 7.7295 7.8232 7.8481 9.3972 9.5062 9.8228 9.8626 10.1690 10.1991 k = 0.3281 0.2327 0.7963 ( 11401 PWs) bands (ev): -8.0310 -8.0296 -7.9940 -7.9924 -7.9581 -7.9556 -7.9430 -7.9411 -3.1478 -3.1443 -3.1158 -3.1130 -1.6017 -1.5964 -1.4732 -1.4686 -1.4017 -1.3936 -0.8267 -0.8183 0.2902 0.3100 0.3287 0.4111 0.4619 0.4718 0.6280 0.6520 0.6831 0.7442 0.8545 0.8819 0.9470 1.0389 1.0653 1.1533 1.2415 1.3439 1.4249 1.4498 1.4867 1.5026 1.6727 1.6956 1.8263 1.9445 2.6727 2.7242 2.8664 2.8935 3.1474 3.2017 3.3165 3.3796 3.4911 3.6017 3.6257 3.7239 3.7622 3.8312 3.8974 3.9351 6.1768 6.1923 7.6854 7.7380 7.8378 7.8633 9.4135 9.5267 9.8042 9.8554 10.1515 10.1725 k = 0.3438 0.2438 0.7827 ( 11399 PWs) bands (ev): -8.0319 -8.0306 -7.9939 -7.9923 -7.9580 -7.9553 -7.9425 -7.9407 -3.1480 -3.1444 -3.1161 -3.1130 -1.6025 -1.5966 -1.4741 -1.4685 -1.4013 -1.3938 -0.8266 -0.8182 0.2909 0.3110 0.3329 0.4084 0.4619 0.4754 0.6269 0.6555 0.6818 0.7432 0.8553 0.8808 0.9500 1.0399 1.0667 1.1632 1.2398 1.3422 1.4271 1.4500 1.4860 1.5033 1.6741 1.6982 1.8502 1.9591 2.6428 2.6956 2.8372 2.8691 3.1520 3.2029 3.3305 3.3906 3.5004 3.6031 3.6205 3.7199 3.7528 3.8291 3.9064 3.9477 6.1657 6.1788 7.6939 7.7449 7.8578 7.8824 9.4313 9.5508 9.7842 9.8494 10.1303 10.1480 k = 0.3594 0.2549 0.7691 ( 11399 PWs) bands (ev): -8.0327 -8.0314 -7.9940 -7.9923 -7.9577 -7.9549 -7.9421 -7.9405 -3.1483 -3.1445 -3.1164 -3.1130 -1.6034 -1.5969 -1.4751 -1.4682 -1.4009 -1.3941 -0.8263 -0.8180 0.2915 0.3123 0.3370 0.4067 0.4618 0.4793 0.6257 0.6591 0.6796 0.7425 0.8567 0.8800 0.9542 1.0406 1.0694 1.1732 1.2385 1.3403 1.4292 1.4506 1.4858 1.5042 1.6764 1.7012 1.8756 1.9753 2.6124 2.6676 2.8064 2.8421 3.1572 3.2039 3.3418 3.3976 3.5104 3.5990 3.6188 3.7141 3.7451 3.8256 3.9162 3.9600 6.1555 6.1653 7.7026 7.7503 7.8817 7.9059 9.4491 9.5775 9.7639 9.8459 10.1070 10.1262 k = 0.3750 0.2660 0.7555 ( 11405 PWs) bands (ev): -8.0332 -8.0320 -7.9942 -7.9924 -7.9573 -7.9544 -7.9421 -7.9406 -3.1486 -3.1446 -3.1168 -3.1130 -1.6043 -1.5974 -1.4764 -1.4679 -1.4006 -1.3945 -0.8259 -0.8176 0.2920 0.3137 0.3407 0.4064 0.4616 0.4834 0.6243 0.6626 0.6764 0.7421 0.8587 0.8803 0.9595 1.0411 1.0732 1.1827 1.2381 1.3382 1.4307 1.4518 1.4859 1.5055 1.6796 1.7044 1.9022 1.9927 2.5826 2.6405 2.7754 2.8139 3.1624 3.2047 3.3499 3.4017 3.5196 3.5895 3.6197 3.7050 3.7410 3.8216 3.9252 3.9711 6.1465 6.1534 7.7115 7.7550 7.9073 7.9338 9.4647 9.6049 9.7453 9.8459 10.0833 10.1068 k = 0.3906 0.2771 0.7420 ( 11399 PWs) bands (ev): -8.0333 -8.0322 -7.9947 -7.9928 -7.9567 -7.9538 -7.9422 -7.9409 -3.1491 -3.1446 -3.1172 -3.1131 -1.6053 -1.5980 -1.4778 -1.4675 -1.4005 -1.3950 -0.8254 -0.8170 0.2926 0.3152 0.3437 0.4079 0.4613 0.4877 0.6227 0.6660 0.6725 0.7419 0.8608 0.8821 0.9657 1.0418 1.0774 1.1910 1.2396 1.3360 1.4315 1.4537 1.4866 1.5073 1.6834 1.7076 1.9294 2.0108 2.5544 2.6147 2.7451 2.7858 3.1666 3.2049 3.3551 3.4033 3.5270 3.5774 3.6205 3.6923 3.7413 3.8175 3.9324 3.9799 6.1383 6.1455 7.7206 7.7596 7.9330 7.9654 9.4761 9.6295 9.7323 9.8502 10.0602 10.0898 k = 0.4062 0.2882 0.7284 ( 11412 PWs) bands (ev): -8.0332 -8.0322 -7.9955 -7.9935 -7.9561 -7.9530 -7.9425 -7.9414 -3.1496 -3.1446 -3.1176 -3.1133 -1.6063 -1.5988 -1.4793 -1.4670 -1.4005 -1.3956 -0.8246 -0.8161 0.2932 0.3166 0.3461 0.4110 0.4611 0.4920 0.6209 0.6675 0.6700 0.7416 0.8628 0.8857 0.9726 1.0426 1.0816 1.1971 1.2436 1.3340 1.4317 1.4562 1.4877 1.5099 1.6877 1.7107 1.9566 2.0292 2.5283 2.5906 2.7165 2.7590 3.1688 3.2046 3.3579 3.4028 3.5320 3.5637 3.6199 3.6772 3.7447 3.8138 3.9366 3.9855 6.1312 6.1428 7.7304 7.7649 7.9582 7.9989 9.4805 9.6437 9.7320 9.8594 10.0375 10.0752 k = 0.4219 0.2992 0.7148 ( 11410 PWs) bands (ev): -8.0327 -8.0318 -7.9967 -7.9945 -7.9553 -7.9522 -7.9428 -7.9419 -3.1501 -3.1445 -3.1180 -3.1136 -1.6075 -1.5997 -1.4808 -1.4666 -1.4008 -1.3963 -0.8236 -0.8151 0.2940 0.3178 0.3482 0.4154 0.4610 0.4963 0.6187 0.6630 0.6729 0.7411 0.8649 0.8911 0.9801 1.0438 1.0854 1.2009 1.2504 1.3323 1.4316 1.4591 1.4892 1.5133 1.6922 1.7135 1.9830 2.0472 2.5045 2.5687 2.6905 2.7348 3.1678 3.2039 3.3589 3.4003 3.5343 3.5493 3.6174 3.6608 3.7504 3.8109 3.9374 3.9875 6.1271 6.1444 7.7413 7.7714 7.9821 8.0325 9.4761 9.6433 9.7477 9.8735 10.0144 10.0631 k = 0.4375 0.3103 0.7012 ( 11402 PWs) bands (ev): -8.0320 -8.0312 -7.9984 -7.9959 -7.9546 -7.9513 -7.9431 -7.9422 -3.1507 -3.1445 -3.1185 -3.1138 -1.6087 -1.6007 -1.4823 -1.4662 -1.4013 -1.3970 -0.8224 -0.8138 0.2951 0.3186 0.3505 0.4206 0.4613 0.5007 0.6163 0.6583 0.6760 0.7403 0.8675 0.8978 0.9880 1.0456 1.0885 1.2032 1.2590 1.3314 1.4314 1.4620 1.4911 1.5177 1.6967 1.7162 2.0077 2.0643 2.4832 2.5496 2.6677 2.7141 3.1630 3.2025 3.3580 3.3962 3.5313 3.5371 3.6129 3.6438 3.7575 3.8088 3.9344 3.9857 6.1268 6.1500 7.7535 7.7794 8.0042 8.0648 9.4624 9.6333 9.7711 9.8914 9.9888 10.0537 k = 0.4531 0.3214 0.6876 ( 11389 PWs) bands (ev): -8.0310 -8.0303 -8.0006 -7.9978 -7.9538 -7.9504 -7.9432 -7.9422 -3.1513 -3.1444 -3.1190 -3.1142 -1.6100 -1.6018 -1.4838 -1.4658 -1.4022 -1.3977 -0.8210 -0.8123 0.2966 0.3191 0.3531 0.4259 0.4622 0.5049 0.6137 0.6538 0.6788 0.7390 0.8708 0.9051 0.9959 1.0482 1.0906 1.2049 1.2679 1.3319 1.4314 1.4648 1.4938 1.5228 1.7009 1.7186 2.0293 2.0800 2.4644 2.5340 2.6489 2.6979 3.1544 3.2000 3.3545 3.3914 3.5171 3.5338 3.6061 3.6268 3.7653 3.8074 3.9278 3.9804 6.1304 6.1593 7.7673 7.7892 8.0240 8.0946 9.4406 9.6176 9.7934 9.9069 9.9620 10.0470 k = 0.4688 0.3325 0.6740 ( 11394 PWs) bands (ev): -8.0300 -8.0294 -8.0033 -8.0002 -7.9531 -7.9494 -7.9430 -7.9419 -3.1519 -3.1444 -3.1195 -3.1145 -1.6113 -1.6029 -1.4852 -1.4654 -1.4033 -1.3984 -0.8193 -0.8107 0.2984 0.3195 0.3563 0.4307 0.4637 0.5091 0.6109 0.6495 0.6813 0.7373 0.8747 0.9129 1.0035 1.0515 1.0919 1.2067 1.2759 1.3344 1.4318 1.4672 1.4972 1.5286 1.7044 1.7210 2.0466 2.0939 2.4485 2.5223 2.6348 2.6865 3.1423 3.1957 3.3469 3.3868 3.5015 3.5306 3.5966 3.6109 3.7726 3.8059 3.9186 3.9727 6.1379 6.1719 7.7828 7.8010 8.0411 8.1207 9.4128 9.5962 9.8079 9.8908 9.9592 10.0418 k = 0.4844 0.3436 0.6604 ( 11392 PWs) bands (ev): -8.0292 -8.0287 -8.0062 -8.0028 -7.9523 -7.9484 -7.9424 -7.9411 -3.1526 -3.1444 -3.1199 -3.1149 -1.6126 -1.6040 -1.4866 -1.4651 -1.4046 -1.3991 -0.8174 -0.8090 0.3008 0.3201 0.3600 0.4346 0.4662 0.5132 0.6080 0.6457 0.6833 0.7355 0.8789 0.9208 1.0104 1.0558 1.0924 1.2091 1.2819 1.3399 1.4325 1.4695 1.5013 1.5349 1.7071 1.7236 2.0586 2.1055 2.4359 2.5147 2.6260 2.6803 3.1271 3.1891 3.3349 3.3822 3.4865 3.5264 3.5843 3.5968 3.7771 3.8035 3.9086 3.9646 6.1489 6.1870 7.7995 7.8150 8.0555 8.1426 9.3809 9.5686 9.8068 9.8449 9.9776 10.0394 k = 0.5000 0.3546 0.6468 ( 11394 PWs) bands (ev): -8.0294 -8.0289 -8.0086 -8.0050 -7.9513 -7.9474 -7.9413 -7.9399 -3.1532 -3.1444 -3.1204 -3.1153 -1.6140 -1.6052 -1.4878 -1.4648 -1.4061 -1.4000 -0.8153 -0.8073 0.3036 0.3209 0.3641 0.4375 0.4694 0.5171 0.6050 0.6423 0.6847 0.7337 0.8832 0.9287 1.0160 1.0610 1.0928 1.2120 1.2856 1.3483 1.4338 1.4718 1.5060 1.5416 1.7087 1.7265 2.0648 2.1140 2.4273 2.5111 2.6226 2.6790 3.1094 3.1798 3.3193 3.3755 3.4732 3.5212 3.5708 3.5842 3.7757 3.7993 3.9002 3.9586 6.1627 6.2040 7.8166 7.8314 8.0673 8.1595 9.3468 9.5347 9.7784 9.7988 9.9946 10.0476 k = 0.5000 0.3546 0.6468 ( 11394 PWs) bands (ev): -8.0294 -8.0289 -8.0086 -8.0050 -7.9513 -7.9474 -7.9413 -7.9399 -3.1532 -3.1444 -3.1204 -3.1153 -1.6140 -1.6052 -1.4878 -1.4648 -1.4061 -1.4000 -0.8153 -0.8073 0.3036 0.3209 0.3641 0.4375 0.4694 0.5171 0.6050 0.6423 0.6847 0.7337 0.8832 0.9287 1.0160 1.0610 1.0928 1.2120 1.2856 1.3483 1.4338 1.4718 1.5060 1.5416 1.7087 1.7265 2.0648 2.1140 2.4273 2.5111 2.6226 2.6790 3.1094 3.1798 3.3193 3.3755 3.4732 3.5212 3.5708 3.5842 3.7757 3.7993 3.9002 3.9586 6.1627 6.2040 7.8166 7.8314 8.0673 8.1595 9.3468 9.5347 9.7784 9.7988 9.9946 10.0476 k = 0.5000 0.3546 0.6229 ( 11384 PWs) bands (ev): -8.0314 -8.0308 -8.0120 -8.0084 -7.9493 -7.9452 -7.9389 -7.9372 -3.1542 -3.1445 -3.1212 -3.1160 -1.6164 -1.6073 -1.4899 -1.4644 -1.4088 -1.4015 -0.8117 -0.8046 0.3095 0.3233 0.3718 0.4404 0.4768 0.5241 0.5999 0.6372 0.6865 0.7310 0.8912 0.9422 1.0243 1.0695 1.0948 1.2176 1.2908 1.3662 1.4369 1.4758 1.5155 1.5544 1.7111 1.7326 2.0714 2.1262 2.4158 2.5081 2.6216 2.6803 3.0747 3.1594 3.2887 3.3588 3.4520 3.5094 3.5492 3.5635 3.7655 3.7894 3.8885 3.9512 6.1899 6.2356 7.8463 7.8632 8.0856 8.1833 9.2824 9.4655 9.6861 9.7205 10.0190 10.0849 k = 0.5000 0.3546 0.5989 ( 11400 PWs) bands (ev): -8.0340 -8.0333 -8.0159 -8.0122 -7.9468 -7.9425 -7.9359 -7.9342 -3.1552 -3.1447 -3.1220 -3.1167 -1.6188 -1.6095 -1.4920 -1.4640 -1.4119 -1.4032 -0.8083 -0.8025 0.3160 0.3264 0.3797 0.4416 0.4855 0.5311 0.5953 0.6327 0.6880 0.7291 0.8998 0.9552 1.0319 1.0759 1.0992 1.2227 1.2968 1.3849 1.4410 1.4798 1.5268 1.5684 1.7139 1.7399 2.0787 2.1391 2.4047 2.5052 2.6208 2.6804 3.0377 3.1358 3.2575 3.3385 3.4324 3.4948 3.5316 3.5438 3.7554 3.7797 3.8760 3.9430 6.2182 6.2679 7.8760 7.8951 8.1019 8.2029 9.2125 9.3891 9.5870 9.6277 10.0412 10.1082 k = 0.5000 0.3546 0.5750 ( 11400 PWs) bands (ev): -8.0371 -8.0362 -8.0201 -8.0164 -7.9438 -7.9394 -7.9325 -7.9307 -3.1562 -3.1448 -3.1229 -3.1176 -1.6210 -1.6117 -1.4941 -1.4637 -1.4151 -1.4050 -0.8053 -0.8011 0.3230 0.3303 0.3876 0.4418 0.4946 0.5382 0.5912 0.6287 0.6894 0.7281 0.9089 0.9665 1.0393 1.0814 1.1052 1.2277 1.3035 1.4035 1.4462 1.4835 1.5402 1.5838 1.7174 1.7486 2.0866 2.1527 2.3944 2.5024 2.6202 2.6790 2.9994 3.1091 3.2266 3.3145 3.4154 3.4781 3.5177 3.5253 3.7454 3.7702 3.8629 3.9341 6.2471 6.3004 7.9047 7.9266 8.1160 8.2179 9.1388 9.3079 9.4869 9.5293 10.0550 10.0990 k = 0.5000 0.3546 0.5510 ( 11390 PWs) bands (ev): -8.0407 -8.0396 -8.0246 -8.0209 -7.9403 -7.9358 -7.9287 -7.9269 -3.1571 -3.1449 -3.1237 -3.1185 -1.6232 -1.6139 -1.4962 -1.4634 -1.4185 -1.4069 -0.8029 -0.8005 0.3303 0.3352 0.3957 0.4417 0.5035 0.5449 0.5881 0.6250 0.6909 0.7278 0.9181 0.9753 1.0470 1.0866 1.1120 1.2329 1.3109 1.4205 1.4531 1.4871 1.5556 1.6006 1.7215 1.7587 2.0951 2.1665 2.3854 2.4999 2.6198 2.6759 2.9610 3.0794 3.1968 3.2871 3.4009 3.4613 3.5057 3.5083 3.7355 3.7610 3.8492 3.9246 6.2759 6.3325 7.9318 7.9570 8.1278 8.2278 9.0625 9.2236 9.3877 9.4297 10.0509 10.0715 k = 0.5000 0.3546 0.5271 ( 11394 PWs) bands (ev): -8.0447 -8.0434 -8.0294 -8.0258 -7.9364 -7.9318 -7.9247 -7.9227 -3.1579 -3.1451 -3.1245 -3.1194 -1.6252 -1.6160 -1.4982 -1.4633 -1.4220 -1.4089 -0.8014 -0.8006 0.3373 0.3414 0.4036 0.4413 0.5118 0.5510 0.5862 0.6218 0.6928 0.7280 0.9271 0.9808 1.0546 1.0916 1.1201 1.2388 1.3189 1.4345 1.4623 1.4903 1.5730 1.6190 1.7265 1.7701 2.1041 2.1801 2.3783 2.4978 2.6191 2.6708 2.9235 3.0472 3.1690 3.2579 3.3883 3.4456 3.4916 3.4952 3.7258 3.7521 3.8350 3.9147 6.3044 6.3636 7.9565 7.9857 8.1375 8.2329 8.9850 9.1380 9.2902 9.3311 10.0141 10.0360 k = 0.5000 0.3546 0.5031 ( 11390 PWs) bands (ev): -8.0491 -8.0476 -8.0344 -8.0309 -7.9321 -7.9274 -7.9203 -7.9184 -3.1587 -3.1452 -3.1252 -3.1204 -1.6270 -1.6179 -1.5003 -1.4632 -1.4256 -1.4110 -0.8021 -0.8000 0.3436 0.3490 0.4113 0.4409 0.5194 0.5559 0.5861 0.6190 0.6953 0.7287 0.9354 0.9831 1.0615 1.0952 1.1312 1.2456 1.3275 1.4450 1.4734 1.4934 1.5922 1.6390 1.7323 1.7827 2.1133 2.1929 2.3739 2.4961 2.6175 2.6642 2.8881 3.0132 3.1437 3.2281 3.3770 3.4316 3.4765 3.4846 3.7163 3.7437 3.8205 3.9044 6.3318 6.3931 7.9779 8.0122 8.1455 8.2334 8.9073 9.0521 9.1952 9.2345 9.9515 9.9889 k = 0.5000 0.3546 0.4791 ( 11392 PWs) bands (ev): -8.0538 -8.0521 -8.0396 -8.0362 -7.9274 -7.9226 -7.9158 -7.9139 -3.1593 -3.1453 -3.1260 -3.1214 -1.6288 -1.6197 -1.5023 -1.4632 -1.4293 -1.4132 -0.8042 -0.7999 0.3495 0.3573 0.4184 0.4408 0.5262 0.5592 0.5879 0.6169 0.6983 0.7297 0.9427 0.9831 1.0666 1.0964 1.1465 1.2537 1.3364 1.4530 1.4849 1.4964 1.6128 1.6607 1.7391 1.7961 2.1227 2.2044 2.3729 2.4949 2.6132 2.6575 2.8558 2.9785 3.1214 3.1988 3.3665 3.4194 3.4621 3.4742 3.7071 3.7357 3.8058 3.8939 6.3577 6.4205 7.9955 8.0360 8.1522 8.2301 8.8304 8.9671 9.1029 9.1408 9.8761 9.9253 k = 0.5000 0.3546 0.4552 ( 11402 PWs) bands (ev): -8.0588 -8.0568 -8.0449 -8.0417 -7.9224 -7.9176 -7.9111 -7.9092 -3.1598 -3.1454 -3.1268 -3.1225 -1.6303 -1.6211 -1.5043 -1.4634 -1.4331 -1.4155 -0.8071 -0.8005 0.3553 0.3659 0.4244 0.4414 0.5323 0.5613 0.5910 0.6159 0.7020 0.7308 0.9488 0.9813 1.0696 1.0950 1.1656 1.2631 1.3456 1.4597 1.4946 1.5000 1.6345 1.6840 1.7467 1.8098 2.1317 2.2140 2.3760 2.4940 2.6034 2.6534 2.8274 2.9440 3.1024 3.1712 3.3563 3.4088 3.4483 3.4641 3.6980 3.7283 3.7908 3.8833 6.3817 6.4453 8.0086 8.0566 8.1579 8.2237 8.7550 8.8838 9.0137 9.0503 9.7914 9.8490 k = 0.5000 0.3546 0.4312 ( 11390 PWs) bands (ev): -8.0638 -8.0617 -8.0502 -8.0472 -7.9172 -7.9124 -7.9063 -7.9045 -3.1602 -3.1455 -3.1275 -3.1235 -1.6317 -1.6223 -1.5062 -1.4637 -1.4368 -1.4178 -0.8109 -0.8020 0.3611 0.3745 0.4284 0.4434 0.5379 0.5631 0.5945 0.6166 0.7061 0.7319 0.9532 0.9785 1.0706 1.0915 1.1873 1.2739 1.3551 1.4657 1.4996 1.5066 1.6569 1.7087 1.7554 1.8233 2.1399 2.2218 2.3827 2.4935 2.5876 2.6528 2.8036 2.9110 3.0868 3.1461 3.3464 3.3997 3.4347 3.4546 3.6892 3.7217 3.7757 3.8727 6.4033 6.4671 8.0172 8.0737 8.1624 8.2154 8.6817 8.8030 8.9278 8.9636 9.6998 9.7635 k = 0.5000 0.3546 0.4073 ( 11394 PWs) bands (ev): -8.0690 -8.0667 -8.0556 -8.0528 -7.9118 -7.9071 -7.9015 -7.8997 -3.1604 -3.1455 -3.1283 -3.1246 -1.6330 -1.6231 -1.5081 -1.4642 -1.4405 -1.4202 -0.8154 -0.8044 0.3667 0.3827 0.4301 0.4469 0.5430 0.5652 0.5976 0.6191 0.7105 0.7329 0.9558 0.9753 1.0697 1.0861 1.2108 1.2861 1.3648 1.4713 1.5022 1.5139 1.6797 1.7342 1.7650 1.8362 2.1466 2.2286 2.3919 2.4930 2.5679 2.6542 2.7848 2.8803 3.0747 3.1241 3.3366 3.3918 3.4212 3.4457 3.6805 3.7158 3.7605 3.8621 6.4223 6.4857 8.0214 8.0871 8.1648 8.2066 8.6111 8.7251 8.8455 8.8808 9.6031 9.6716 k = 0.5000 0.3546 0.3833 ( 11384 PWs) bands (ev): -8.0742 -8.0717 -8.0609 -8.0583 -7.9064 -7.9017 -7.8966 -7.8948 -3.1605 -3.1455 -3.1290 -3.1257 -1.6341 -1.6235 -1.5099 -1.4649 -1.4441 -1.4228 -0.8205 -0.8075 0.3722 0.3905 0.4305 0.4508 0.5479 0.5683 0.6003 0.6233 0.7152 0.7338 0.9563 0.9721 1.0670 1.0793 1.2351 1.2995 1.3745 1.4764 1.5043 1.5200 1.7027 1.7601 1.7756 1.8480 2.1514 2.2352 2.4011 2.4925 2.5474 2.6550 2.7725 2.8534 3.0656 3.1062 3.3269 3.3851 3.4077 3.4379 3.6720 3.7109 3.7453 3.8518 6.4383 6.5007 8.0217 8.0964 8.1631 8.1994 8.5436 8.6509 8.7669 8.8023 9.5030 9.5752 k = 0.5000 0.3546 0.3594 ( 11386 PWs) bands (ev): -8.0794 -8.0768 -8.0661 -8.0638 -7.9010 -7.8963 -7.8918 -7.8901 -3.1604 -3.1455 -3.1297 -3.1267 -1.6350 -1.6236 -1.5117 -1.4659 -1.4476 -1.4253 -0.8261 -0.8114 0.3774 0.3975 0.4303 0.4539 0.5528 0.5724 0.6031 0.6285 0.7198 0.7347 0.9546 0.9693 1.0627 1.0713 1.2597 1.3138 1.3843 1.4813 1.5061 1.5250 1.7256 1.7834 1.7893 1.8588 2.1539 2.2424 2.4070 2.4914 2.5293 2.6526 2.7683 2.8316 3.0591 3.0931 3.3173 3.3790 3.3941 3.4311 3.6636 3.7070 3.7301 3.8418 6.4512 6.5121 8.0187 8.1015 8.1564 8.1949 8.4795 8.5807 8.6924 8.7281 9.4011 9.4762 k = 0.5000 0.3546 0.3354 ( 11402 PWs) bands (ev): -8.0844 -8.0818 -8.0712 -8.0691 -7.8955 -7.8910 -7.8871 -7.8854 -3.1602 -3.1455 -3.1304 -3.1278 -1.6357 -1.6234 -1.5134 -1.4670 -1.4509 -1.4280 -0.8322 -0.8159 0.3823 0.4033 0.4302 0.4560 0.5580 0.5778 0.6063 0.6340 0.7242 0.7354 0.9512 0.9667 1.0565 1.0628 1.2841 1.3286 1.3941 1.4858 1.5078 1.5289 1.7479 1.7969 1.8126 1.8688 2.1546 2.2499 2.4060 2.4895 2.5158 2.6455 2.7732 2.8165 3.0544 3.0853 3.3076 3.3726 3.3817 3.4256 3.6552 3.7040 3.7150 3.8322 6.4610 6.5199 8.0130 8.1021 8.1464 8.1914 8.4191 8.5150 8.6223 8.6584 9.2988 9.3763 k = 0.5000 0.3546 0.3114 ( 11410 PWs) bands (ev): -8.0894 -8.0867 -8.0761 -8.0742 -7.8902 -7.8858 -7.8825 -7.8808 -3.1598 -3.1454 -3.1311 -3.1289 -1.6362 -1.6230 -1.5150 -1.4684 -1.4540 -1.4307 -0.8385 -0.8210 0.3869 0.4077 0.4304 0.4568 0.5638 0.5843 0.6100 0.6398 0.7280 0.7364 0.9469 0.9637 1.0481 1.0543 1.3077 1.3438 1.4039 1.4901 1.5094 1.5320 1.7692 1.8091 1.8358 1.8793 2.1541 2.2573 2.3976 2.4866 2.5067 2.6340 2.7862 2.8098 3.0515 3.0827 3.2981 3.3620 3.3740 3.4215 3.6468 3.6987 3.7033 3.8231 6.4678 6.5243 8.0049 8.0980 8.1356 8.1869 8.3628 8.4541 8.5570 8.5932 9.1976 9.2767 k = 0.5000 0.3546 0.2875 ( 11414 PWs) bands (ev): -8.0942 -8.0915 -8.0809 -8.0792 -7.8850 -7.8808 -7.8780 -7.8764 -3.1593 -3.1453 -3.1318 -3.1299 -1.6364 -1.6223 -1.5164 -1.4701 -1.4568 -1.4334 -0.8449 -0.8266 0.3911 0.4105 0.4314 0.4565 0.5703 0.5919 0.6143 0.6454 0.7305 0.7382 0.9423 0.9601 1.0380 1.0460 1.3303 1.3591 1.4137 1.4942 1.5108 1.5345 1.7889 1.8212 1.8553 1.8924 2.1529 2.2635 2.3846 2.4823 2.4993 2.6193 2.8052 2.8127 3.0510 3.0842 3.2885 3.3481 3.3705 3.4187 3.6384 3.6840 3.7021 3.8145 6.4717 6.5256 7.9944 8.0890 8.1252 8.1799 8.3111 8.3982 8.4969 8.5326 9.0990 9.1790 k = 0.5000 0.3546 0.2635 ( 11414 PWs) bands (ev): -8.0987 -8.0961 -8.0853 -8.0838 -7.8800 -7.8760 -7.8738 -7.8722 -3.1586 -3.1451 -3.1324 -3.1310 -1.6364 -1.6215 -1.5177 -1.4719 -1.4593 -1.4362 -0.8513 -0.8325 0.3950 0.4116 0.4330 0.4553 0.5775 0.6004 0.6189 0.6508 0.7315 0.7411 0.9377 0.9559 1.0269 1.0374 1.3512 1.3741 1.4235 1.4978 1.5123 1.5368 1.8064 1.8329 1.8699 1.9100 2.1517 2.2673 2.3711 2.4756 2.4918 2.6023 2.8232 2.8297 3.0534 3.0886 3.2790 3.3334 3.3687 3.4175 3.6300 3.6687 3.7024 3.8066 6.4731 6.5240 7.9817 8.0760 8.1154 8.1697 8.2646 8.3475 8.4423 8.4767 9.0044 9.0845 k = 0.5000 0.3546 0.2396 ( 11410 PWs) bands (ev): -8.1030 -8.1005 -8.0895 -8.0882 -7.8753 -7.8715 -7.8697 -7.8682 -3.1578 -3.1450 -3.1331 -3.1320 -1.6362 -1.6206 -1.5187 -1.4741 -1.4615 -1.4391 -0.8575 -0.8387 0.3985 0.4117 0.4349 0.4534 0.5854 0.6094 0.6240 0.6559 0.7316 0.7445 0.9332 0.9512 1.0153 1.0283 1.3702 1.3887 1.4333 1.5010 1.5140 1.5391 1.8213 1.8433 1.8820 1.9303 2.1508 2.2672 2.3605 2.4658 2.4842 2.5837 2.8421 2.8559 3.0588 3.0949 3.2696 3.3183 3.3683 3.4177 3.6214 3.6533 3.7039 3.7993 6.4724 6.5200 7.9670 8.0597 8.1056 8.1557 8.2244 8.3019 8.3936 8.4256 8.9150 8.9943 k = 0.5000 0.3546 0.2156 ( 11408 PWs) bands (ev): -8.1069 -8.1046 -8.0934 -8.0922 -7.8708 -7.8673 -7.8659 -7.8645 -3.1570 -3.1448 -3.1337 -3.1330 -1.6357 -1.6198 -1.5194 -1.4764 -1.4634 -1.4420 -0.8635 -0.8449 0.4014 0.4112 0.4367 0.4511 0.5937 0.6186 0.6292 0.6605 0.7312 0.7478 0.9291 0.9462 1.0036 1.0189 1.3869 1.4025 1.4430 1.5033 1.5159 1.5418 1.8336 1.8514 1.8946 1.9509 2.1505 2.2623 2.3549 2.4534 2.4768 2.5643 2.8658 2.8841 3.0667 3.1023 3.2603 3.3031 3.3695 3.4197 3.6125 3.6378 3.7063 3.7927 6.4700 6.5141 7.9506 8.0406 8.0958 8.1376 8.1911 8.2611 8.3510 8.3792 8.8321 8.9095 k = 0.5000 0.3546 0.1917 ( 11412 PWs) bands (ev): -8.1105 -8.1083 -8.0970 -8.0960 -7.8667 -7.8635 -7.8624 -7.8611 -3.1560 -3.1446 -3.1343 -3.1340 -1.6349 -1.6190 -1.5198 -1.4790 -1.4649 -1.4448 -0.8690 -0.8511 0.4036 0.4105 0.4383 0.4489 0.6024 0.6275 0.6347 0.6646 0.7307 0.7508 0.9254 0.9410 0.9920 1.0092 1.4012 1.4152 1.4525 1.5045 1.5184 1.5449 1.8436 1.8572 1.9086 1.9703 2.1509 2.2534 2.3542 2.4398 2.4693 2.5443 2.8924 2.9130 3.0765 3.1101 3.2512 3.2878 3.3724 3.4232 3.6034 3.6222 3.7096 3.7867 6.4664 6.5067 7.9330 8.0190 8.0861 8.1169 8.1644 8.2247 8.3144 8.3377 8.7568 8.8311 k = 0.5000 0.3546 0.1677 ( 11392 PWs) bands (ev): -8.1138 -8.1118 -8.1001 -8.0993 -7.8630 -7.8601 -7.8591 -7.8580 -3.1549 -3.1445 -3.1350 -3.1349 -1.6339 -1.6185 -1.5197 -1.4817 -1.4661 -1.4477 -0.8739 -0.8572 0.4050 0.4101 0.4394 0.4469 0.6113 0.6357 0.6407 0.6680 0.7302 0.7533 0.9221 0.9360 0.9808 0.9995 1.4134 1.4263 1.4615 1.5048 1.5216 1.5488 1.8517 1.8616 1.9235 1.9875 2.1521 2.2424 2.3571 2.4263 2.4615 2.5242 2.9203 2.9418 3.0871 3.1178 3.2424 3.2726 3.3773 3.4285 3.5937 3.6065 3.7137 3.7813 6.4620 6.4982 7.9153 7.9954 8.0767 8.0964 8.1423 8.1919 8.2833 8.3011 8.6903 8.7601 k = 0.5000 0.3546 0.1437 ( 11384 PWs) bands (ev): -8.1166 -8.1149 -8.1029 -8.1022 -7.8596 -7.8572 -7.8561 -7.8553 -3.1538 -3.1443 -3.1359 -3.1355 -1.6327 -1.6182 -1.5191 -1.4847 -1.4669 -1.4505 -0.8782 -0.8630 0.4054 0.4099 0.4402 0.4454 0.6201 0.6422 0.6474 0.6707 0.7301 0.7552 0.9191 0.9316 0.9701 0.9900 1.4239 1.4357 1.4692 1.5041 1.5258 1.5529 1.8577 1.8653 1.9385 2.0019 2.1542 2.2309 2.3621 2.4141 2.4536 2.5043 2.9482 2.9696 3.0974 3.1250 3.2339 3.2576 3.3844 3.4354 3.5831 3.5910 3.7183 3.7764 6.4575 6.4893 7.8984 7.9707 8.0680 8.0782 8.1229 8.1625 8.2572 8.2694 8.6332 8.6969 k = 0.5000 0.3546 0.1198 ( 11402 PWs) bands (ev): -8.1190 -8.1175 -8.1053 -8.1047 -7.8567 -7.8548 -7.8535 -7.8530 -3.1527 -3.1443 -3.1367 -3.1360 -1.6313 -1.6182 -1.5179 -1.4879 -1.4673 -1.4532 -0.8817 -0.8684 0.4052 0.4097 0.4405 0.4446 0.6287 0.6475 0.6538 0.6726 0.7306 0.7563 0.9163 0.9280 0.9605 0.9808 1.4328 1.4433 1.4751 1.5025 1.5310 1.5568 1.8622 1.8686 1.9533 2.0129 2.1570 2.2198 2.3684 2.4042 2.4455 2.4849 2.9754 2.9959 3.1060 3.1310 3.2259 3.2433 3.3939 3.4437 3.5704 3.5771 3.7233 3.7718 6.4532 6.4804 7.8834 7.9461 8.0602 8.0637 8.1055 8.1360 8.2353 8.2427 8.5863 8.6423 k = 0.5000 0.3546 0.0958 ( 11404 PWs) bands (ev): -8.1210 -8.1198 -8.1073 -8.1068 -7.8543 -7.8528 -7.8514 -7.8510 -3.1515 -3.1444 -3.1374 -3.1365 -1.6298 -1.6186 -1.5163 -1.4913 -1.4673 -1.4558 -0.8843 -0.8733 0.4050 0.4093 0.4408 0.4441 0.6369 0.6522 0.6591 0.6734 0.7320 0.7565 0.9140 0.9254 0.9523 0.9721 1.4405 1.4495 1.4793 1.5003 1.5372 1.5600 1.8656 1.8715 1.9674 2.0201 2.1605 2.2097 2.3754 2.3972 2.4373 2.4663 3.0010 3.0201 3.1117 3.1354 3.2187 3.2303 3.4055 3.4530 3.5553 3.5651 3.7286 3.7674 6.4497 6.4718 7.8711 7.9230 8.0520 8.0548 8.0902 8.1124 8.2171 8.2210 8.5497 8.5965 k = 0.5000 0.3546 0.0719 ( 11404 PWs) bands (ev): -8.1225 -8.1216 -8.1088 -8.1085 -7.8524 -7.8513 -7.8497 -7.8494 -3.1503 -3.1447 -3.1379 -3.1370 -1.6281 -1.6193 -1.5141 -1.4948 -1.4670 -1.4582 -0.8861 -0.8776 0.4049 0.4086 0.4411 0.4439 0.6446 0.6562 0.6627 0.6731 0.7346 0.7556 0.9122 0.9232 0.9463 0.9642 1.4469 1.4542 1.4820 1.4976 1.5438 1.5622 1.8684 1.8736 1.9806 2.0234 2.1646 2.2008 2.3830 2.3937 2.4291 2.4489 3.0244 3.0419 3.1140 3.1369 3.2124 3.2196 3.4192 3.4624 3.5399 3.5536 3.7340 3.7632 6.4471 6.4640 7.8625 7.9023 8.0453 8.0503 8.0770 8.0918 8.2026 8.2041 8.5233 8.5595 k = 0.5000 0.3546 0.0479 ( 11420 PWs) bands (ev): -8.1236 -8.1229 -8.1099 -8.1097 -7.8509 -7.8502 -7.8484 -7.8483 -3.1491 -3.1453 -3.1382 -3.1374 -1.6264 -1.6203 -1.5115 -1.4983 -1.4663 -1.4604 -0.8870 -0.8812 0.4050 0.4077 0.4415 0.4435 0.6516 0.6596 0.6647 0.6715 0.7381 0.7535 0.9116 0.9206 0.9434 0.9571 1.4521 1.4573 1.4841 1.4946 1.5500 1.5629 1.8708 1.8747 1.9928 2.0229 2.1692 2.1929 2.3908 2.3941 2.4209 2.4332 3.0449 3.0601 3.1135 3.1342 3.2076 3.2122 3.4342 3.4701 3.5266 3.5422 3.7394 3.7588 6.4460 6.4574 7.8580 7.8850 8.0426 8.0482 8.0661 8.0743 8.1918 8.1922 8.5067 8.5314 k = 0.5000 0.3546 0.0240 ( 11460 PWs) bands (ev): -8.1241 -8.1238 -8.1106 -8.1105 -7.8500 -7.8497 -7.8477 -7.8476 -3.1480 -3.1460 -3.1382 -3.1378 -1.6247 -1.6216 -1.5086 -1.5018 -1.4653 -1.4623 -0.8869 -0.8839 0.4053 0.4068 0.4420 0.4431 0.6575 0.6620 0.6652 0.6689 0.7422 0.7504 0.9123 0.9173 0.9436 0.9510 1.4558 1.4586 1.4861 1.4915 1.5553 1.5619 1.8728 1.8748 2.0035 2.0191 2.1742 2.1859 2.3979 2.3992 2.4126 2.4196 3.0614 3.0717 3.1134 3.1272 3.2051 3.2076 3.4496 3.4716 3.5196 3.5313 3.7446 3.7543 6.4464 6.4521 7.8579 7.8715 8.0442 8.0486 8.0575 8.0605 8.1851 8.1852 8.4996 8.5121 k = 0.5000 0.3546 0.0000 ( 11464 PWs) bands (ev): -8.1242 -8.1242 -8.1107 -8.1107 -7.8496 -7.8496 -7.8474 -7.8474 -3.1470 -3.1470 -3.1381 -3.1381 -1.6231 -1.6231 -1.5053 -1.5053 -1.4640 -1.4640 -0.8859 -0.8859 0.4059 0.4059 0.4426 0.4426 0.6617 0.6617 0.6662 0.6662 0.7465 0.7465 0.9143 0.9143 0.9464 0.9464 1.4580 1.4580 1.4886 1.4886 1.5594 1.5594 1.8741 1.8741 2.0125 2.0125 2.1798 2.1798 2.4045 2.4045 2.4086 2.4086 3.0718 3.0718 3.1186 3.1186 3.2053 3.2053 3.4634 3.4634 3.5224 3.5224 3.7496 3.7496 6.4484 6.4484 7.8624 7.8624 8.0498 8.0498 8.0522 8.0522 8.1828 8.1828 8.5015 8.5015 k = 0.0000 0.0000 0.8642 ( 11428 PWs) bands (ev): -8.0260 -8.0260 -7.9945 -7.9945 -7.9563 -7.9563 -7.9454 -7.9454 -3.1458 -3.1458 -3.1141 -3.1141 -1.5974 -1.5974 -1.4718 -1.4718 -1.3931 -1.3931 -0.8347 -0.8347 0.2950 0.2950 0.3585 0.3585 0.4712 0.4712 0.6516 0.6516 0.7229 0.7229 0.8566 0.8566 0.9659 0.9659 1.1359 1.1359 1.2736 1.2736 1.4400 1.4400 1.4777 1.4777 1.7040 1.7040 2.0474 2.0474 2.5106 2.5106 2.6447 2.6447 3.2542 3.2542 3.4542 3.4542 3.5861 3.5861 3.7206 3.7206 3.8522 3.8522 3.9711 3.9711 6.0342 6.0342 7.6547 7.6547 7.9527 7.9527 9.6131 9.6131 9.7340 9.7340 10.0545 10.0545 k = 0.0192 0.0136 0.8642 ( 11430 PWs) bands (ev): -8.0261 -8.0260 -7.9946 -7.9944 -7.9563 -7.9562 -7.9454 -7.9453 -3.1460 -3.1455 -3.1142 -3.1141 -1.5975 -1.5973 -1.4720 -1.4716 -1.3938 -1.3927 -0.8351 -0.8340 0.2938 0.2963 0.3533 0.3638 0.4707 0.4716 0.6498 0.6532 0.7188 0.7266 0.8505 0.8640 0.9567 0.9752 1.1258 1.1451 1.2650 1.2823 1.4392 1.4408 1.4778 1.4780 1.7020 1.7050 2.0356 2.0515 2.5136 2.5140 2.6448 2.6544 3.2530 3.2545 3.4501 3.4543 3.5784 3.5931 3.7113 3.7295 3.8420 3.8606 3.9661 3.9730 6.0361 6.0374 7.6543 7.6579 7.9492 7.9500 9.5974 9.6268 9.7249 9.7437 10.0554 10.0564 k = 0.0385 0.0273 0.8642 ( 11430 PWs) bands (ev): -8.0262 -8.0259 -7.9947 -7.9943 -7.9563 -7.9562 -7.9454 -7.9453 -3.1462 -3.1453 -3.1142 -3.1141 -1.5976 -1.5973 -1.4722 -1.4713 -1.3946 -1.3923 -0.8351 -0.8330 0.2928 0.2978 0.3483 0.3693 0.4700 0.4718 0.6478 0.6543 0.7144 0.7297 0.8459 0.8723 0.9477 0.9847 1.1151 1.1529 1.2566 1.2908 1.4384 1.4416 1.4784 1.4786 1.6991 1.7049 2.0169 2.0479 2.5228 2.5237 2.6548 2.6730 3.2511 3.2539 3.4421 3.4502 3.5703 3.5996 3.7018 3.7377 3.8301 3.8671 3.9582 3.9721 6.0430 6.0456 7.6566 7.6638 7.9398 7.9413 9.5799 9.6364 9.7180 9.7537 10.0591 10.0612 k = 0.0577 0.0409 0.8642 ( 11426 PWs) bands (ev): -8.0263 -8.0258 -7.9947 -7.9942 -7.9564 -7.9562 -7.9455 -7.9453 -3.1464 -3.1451 -3.1142 -3.1140 -1.5977 -1.5973 -1.4723 -1.4709 -1.3954 -1.3921 -0.8348 -0.8316 0.2919 0.2992 0.3434 0.3748 0.4693 0.4718 0.6457 0.6548 0.7098 0.7323 0.8430 0.8813 0.9389 0.9942 1.1041 1.1590 1.2491 1.2989 1.4374 1.4425 1.4794 1.4797 1.6956 1.7036 1.9928 2.0378 2.5377 2.5395 2.6735 2.6989 3.2486 3.2519 3.4302 3.4422 3.5615 3.6054 3.6924 3.7451 3.8171 3.8719 3.9475 3.9686 6.0544 6.0584 7.6611 7.6723 7.9253 7.9272 9.5602 9.6378 9.7178 9.7645 10.0661 10.0691 k = 0.0769 0.0546 0.8642 ( 11410 PWs) bands (ev): -8.0263 -8.0257 -7.9948 -7.9941 -7.9564 -7.9562 -7.9455 -7.9452 -3.1466 -3.1449 -3.1143 -3.1140 -1.5979 -1.5972 -1.4723 -1.4706 -1.3964 -1.3920 -0.8341 -0.8300 0.2913 0.3007 0.3388 0.3805 0.4684 0.4715 0.6436 0.6547 0.7053 0.7344 0.8417 0.8906 0.9305 1.0039 1.0931 1.1628 1.2430 1.3066 1.4362 1.4434 1.4810 1.4810 1.6919 1.7014 1.9649 2.0230 2.5574 2.5607 2.6996 2.7305 3.2454 3.2482 3.4150 3.4306 3.5519 3.6102 3.6834 3.7515 3.8035 3.8753 3.9345 3.9628 6.0699 6.0751 7.6674 7.6829 7.9067 7.9085 9.5380 9.6280 9.7271 9.7764 10.0767 10.0804 k = 0.0962 0.0682 0.8642 ( 11408 PWs) bands (ev): -8.0264 -8.0256 -7.9949 -7.9940 -7.9565 -7.9562 -7.9455 -7.9452 -3.1468 -3.1447 -3.1143 -3.1140 -1.5980 -1.5973 -1.4724 -1.4702 -1.3974 -1.3921 -0.8333 -0.8282 0.2907 0.3020 0.3344 0.3863 0.4675 0.4709 0.6416 0.6539 0.7010 0.7362 0.8419 0.9000 0.9223 1.0134 1.0823 1.1638 1.2388 1.3139 1.4347 1.4443 1.4825 1.4831 1.6882 1.6984 1.9348 2.0054 2.5811 2.5867 2.7310 2.7657 3.2411 3.2425 3.3970 3.4159 3.5415 3.6137 3.6749 3.7564 3.7906 3.8776 3.9196 3.9553 6.0885 6.0948 7.6745 7.6948 7.8857 7.8866 9.5136 9.6097 9.7434 9.7893 10.0912 10.0953 k = 0.1154 0.0818 0.8642 ( 11400 PWs) bands (ev): -8.0264 -8.0255 -7.9950 -7.9939 -7.9565 -7.9562 -7.9455 -7.9452 -3.1470 -3.1445 -3.1143 -3.1140 -1.5982 -1.5973 -1.4724 -1.4698 -1.3985 -1.3922 -0.8322 -0.8263 0.2903 0.3032 0.3305 0.3923 0.4666 0.4701 0.6396 0.6524 0.6969 0.7380 0.8432 0.9091 0.9145 1.0230 1.0721 1.1619 1.2370 1.3206 1.4328 1.4452 1.4841 1.4855 1.6852 1.6948 1.9040 1.9866 2.6079 2.6169 2.7660 2.8026 3.2346 3.2352 3.3773 3.3988 3.5304 3.6157 3.6673 3.7583 3.7806 3.8791 3.9034 3.9467 6.1093 6.1167 7.6812 7.7071 7.8633 7.8641 9.4877 9.5868 9.7635 9.8031 10.1097 10.1137 k = 0.1346 0.0955 0.8642 ( 11396 PWs) bands (ev): -8.0265 -8.0254 -7.9951 -7.9938 -7.9566 -7.9562 -7.9456 -7.9452 -3.1471 -3.1443 -3.1144 -3.1140 -1.5984 -1.5973 -1.4724 -1.4694 -1.3995 -1.3924 -0.8311 -0.8245 0.2899 0.3042 0.3271 0.3982 0.4657 0.4689 0.6379 0.6503 0.6932 0.7398 0.8453 0.9073 0.9176 1.0324 1.0627 1.1574 1.2372 1.3268 1.4306 1.4462 1.4856 1.4884 1.6831 1.6907 1.8735 1.9680 2.6366 2.6504 2.8029 2.8392 3.2246 3.2263 3.3575 3.3799 3.5187 3.6157 3.6606 3.7543 3.7775 3.8801 3.8866 3.9374 6.1310 6.1395 7.6859 7.7181 7.8408 7.8444 9.4612 9.5621 9.7851 9.8172 10.1321 10.1347 k = 0.1538 0.1091 0.8642 ( 11400 PWs) bands (ev): -8.0265 -8.0253 -7.9951 -7.9938 -7.9566 -7.9562 -7.9456 -7.9451 -3.1472 -3.1442 -3.1144 -3.1139 -1.5985 -1.5973 -1.4723 -1.4690 -1.4005 -1.3927 -0.8300 -0.8227 0.2894 0.3050 0.3242 0.4041 0.4648 0.4674 0.6363 0.6479 0.6900 0.7417 0.8478 0.9007 0.9254 1.0415 1.0542 1.1511 1.2388 1.3324 1.4281 1.4472 1.4869 1.4914 1.6824 1.6865 1.8443 1.9507 2.6658 2.6865 2.8405 2.8727 3.2130 3.2138 3.3399 3.3597 3.5070 3.6134 3.6549 3.7471 3.7792 3.8700 3.8810 3.9281 6.1525 6.1619 7.6869 7.7257 7.8221 7.8290 9.4356 9.5376 9.8069 9.8310 10.1570 10.1580 k = 0.1731 0.1228 0.8642 ( 11404 PWs) bands (ev): -8.0265 -8.0253 -7.9952 -7.9937 -7.9567 -7.9562 -7.9456 -7.9451 -3.1473 -3.1441 -3.1144 -3.1139 -1.5986 -1.5974 -1.4723 -1.4687 -1.4013 -1.3929 -0.8289 -0.8211 0.2890 0.3056 0.3220 0.4096 0.4641 0.4657 0.6350 0.6455 0.6872 0.7436 0.8503 0.8950 0.9322 1.0470 1.0502 1.1439 1.2411 1.3374 1.4254 1.4482 1.4879 1.4944 1.6825 1.6834 1.8171 1.9357 2.6940 2.7242 2.8776 2.8999 3.1941 3.2046 3.3265 3.3382 3.4961 3.6091 3.6502 3.7409 3.7824 3.8544 3.8820 3.9192 6.1725 6.1826 7.6834 7.7268 7.8108 7.8194 9.4123 9.5150 9.8276 9.8439 10.1776 10.1865 k = 0.1923 0.1364 0.8642 ( 11410 PWs) bands (ev): -8.0265 -8.0252 -7.9952 -7.9937 -7.9567 -7.9563 -7.9456 -7.9451 -3.1474 -3.1440 -3.1145 -3.1139 -1.5987 -1.5974 -1.4723 -1.4684 -1.4020 -1.3931 -0.8280 -0.8197 0.2885 0.3060 0.3203 0.4147 0.4634 0.4638 0.6339 0.6432 0.6851 0.7454 0.8525 0.8904 0.9377 1.0413 1.0582 1.1365 1.2434 1.3416 1.4229 1.4491 1.4886 1.4972 1.6788 1.6864 1.7929 1.9235 2.7193 2.7620 2.9132 2.9171 3.1700 3.2007 3.3153 3.3180 3.4867 3.6034 3.6465 3.7368 3.7859 3.8404 3.8835 3.9111 6.1896 6.2004 7.6766 7.7215 7.8075 7.8152 9.3924 9.4959 9.8461 9.8550 10.1916 10.2165 k = 0.2115 0.1500 0.8642 ( 11394 PWs) bands (ev): -8.0265 -8.0252 -7.9952 -7.9936 -7.9567 -7.9563 -7.9456 -7.9451 -3.1475 -3.1439 -3.1145 -3.1139 -1.5988 -1.5974 -1.4722 -1.4682 -1.4026 -1.3933 -0.8273 -0.8187 0.2881 0.3063 0.3192 0.4188 0.4621 0.4629 0.6331 0.6414 0.6835 0.7469 0.8542 0.8870 0.9418 1.0371 1.0652 1.1299 1.2454 1.3449 1.4207 1.4499 1.4890 1.4994 1.6760 1.6910 1.7725 1.9145 2.7394 2.7981 2.9214 2.9457 3.1436 3.2056 3.2909 3.3135 3.4796 3.5978 3.6438 3.7345 3.7896 3.8287 3.8855 3.9041 6.2028 6.2141 7.6691 7.7135 7.8089 7.8143 9.3773 9.4813 9.8608 9.8635 10.1967 10.2457 k = 0.2308 0.1637 0.8642 ( 11386 PWs) bands (ev): -8.0266 -8.0251 -7.9952 -7.9936 -7.9567 -7.9563 -7.9456 -7.9451 -3.1475 -3.1438 -3.1145 -3.1139 -1.5989 -1.5974 -1.4722 -1.4681 -1.4029 -1.3934 -0.8269 -0.8181 0.2878 0.3064 0.3186 0.4216 0.4607 0.4626 0.6327 0.6403 0.6826 0.7479 0.8553 0.8849 0.9443 1.0345 1.0701 1.1251 1.2468 1.3470 1.4193 1.4504 1.4892 1.5008 1.6741 1.6960 1.7579 1.9090 2.7525 2.8284 2.9149 2.9715 3.1205 3.2199 3.2657 3.3115 3.4751 3.5936 3.6422 3.7336 3.7930 3.8201 3.8881 3.8984 6.2111 6.2228 7.6635 7.7072 7.8111 7.8147 9.3679 9.4722 9.8690 9.8704 10.1965 10.2697 k = 0.2500 0.1773 0.8642 ( 11392 PWs) bands (ev): -8.0266 -8.0251 -7.9952 -7.9936 -7.9567 -7.9563 -7.9456 -7.9451 -3.1475 -3.1438 -3.1145 -3.1139 -1.5989 -1.5974 -1.4722 -1.4680 -1.4030 -1.3934 -0.8267 -0.8179 0.2876 0.3065 0.3184 0.4226 0.4602 0.4625 0.6325 0.6399 0.6822 0.7482 0.8556 0.8842 0.9452 1.0336 1.0720 1.1232 1.2472 1.3476 1.4188 1.4505 1.4892 1.5013 1.6734 1.6984 1.7522 1.9072 2.7571 2.8423 2.9087 2.9823 3.1104 3.2392 3.2430 3.3109 3.4736 3.5920 3.6417 3.7333 3.7947 3.8167 3.8900 3.8953 6.2139 6.2257 7.6615 7.7048 7.8121 7.8150 9.3646 9.4690 9.8708 9.8738 10.1959 10.2798 Writing output data file Ag2HgI4.save init_run : 2.59s CPU 10.71s WALL ( 1 calls) electrons : 2132.08s CPU 2164.56s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.63s CPU 1.85s WALL ( 1 calls) Called by electrons: c_bands : 2131.99s CPU 2164.28s WALL ( 1 calls) v_of_rho : 0.30s CPU 0.95s WALL ( 1 calls) v_h : 0.08s CPU 0.08s WALL ( 1 calls) v_xc : 0.21s CPU 0.63s WALL ( 1 calls) newd : 0.59s CPU 0.88s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.11s CPU 0.22s WALL ( 246 calls) cegterg : 2039.67s CPU 2068.79s WALL ( 693 calls) Called by sum_band: Called by *egterg: h_psi : 1082.21s CPU 1101.72s WALL ( 12332 calls) s_psi : 68.78s CPU 68.95s WALL ( 12332 calls) g_psi : 2.61s CPU 2.72s WALL ( 11393 calls) cdiaghg : 569.13s CPU 568.64s WALL ( 11639 calls) cegterg:over : 178.01s CPU 176.63s WALL ( 11393 calls) cegterg:upda : 71.28s CPU 74.45s WALL ( 11393 calls) cegterg:last : 55.99s CPU 56.91s WALL ( 2063 calls) Called by h_psi: h_psi:vloc : 920.71s CPU 937.14s WALL ( 12332 calls) h_psi:vnl : 159.69s CPU 161.85s WALL ( 12332 calls) add_vuspsi : 62.08s CPU 66.05s WALL ( 12332 calls) General routines calbec : 97.55s CPU 95.62s WALL ( 12332 calls) fft : 0.35s CPU 1.54s WALL ( 19 calls) ffts : 0.01s CPU 0.30s WALL ( 4 calls) fftw : 841.53s CPU 850.41s WALL ( 1816052 calls) interpolate : 0.16s CPU 0.45s WALL ( 4 calls) davcio : 0.04s CPU 3.02s WALL ( 492 calls) Parallel routines fft_scatter : 415.55s CPU 419.50s WALL ( 1816075 calls) PWSCF : 37m14.44s CPU 41m23.27s WALL This run was terminated on: 7:22:20 26Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=