Program PWSCF v.5.1.1 starts on 13Jun2016 at 2:58:33 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: ./BeSiSb2.save/ file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized file Be.rel-pbe-s-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2P 2P 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 234 87 23 11118 2516 360 Max 235 88 24 11120 2547 364 Sum 11251 4183 1151 533725 121189 17421 bravais-lattice index = 14 lattice parameter (alat) = 13.1143 a.u. unit-cell volume = 1229.5717 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 3 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 81.0000 Ry charge density cutoff = 871.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 13.114348 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.666000 celldm(5)= -0.666000 celldm(6)= 0.332000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.332000 0.943280 0.000000 ) a(3) = ( -0.666000 -0.471640 0.577928 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.351963 0.865160 ) b(2) = ( 0.000000 1.060131 0.865160 ) b(3) = ( 0.000000 0.000000 1.730321 ) PseudoPot. # 1 for Sb read from file: /home/autes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 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 Be read from file: /home/autes/Pseudo/Be.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 56f92c253d4d86db330921f37562b9e7 Pseudo is Ultrasoft, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1041 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Si read from file: /home/autes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 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 Sb 5.00 121.76000 Sb( 1.00) Be 4.00 9.01220 Be( 1.00) Si 4.00 28.08550 Si( 1.00) No symmetry found (note: 1 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) 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= 271 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036900 k( 2) = ( 0.0000000 0.0000000 0.0216290), wk = 0.0036900 k( 3) = ( 0.0000000 0.0000000 0.0432580), wk = 0.0036900 k( 4) = ( 0.0000000 0.0000000 0.0648870), wk = 0.0036900 k( 5) = ( 0.0000000 0.0000000 0.0865160), wk = 0.0036900 k( 6) = ( 0.0000000 0.0000000 0.1081451), wk = 0.0036900 k( 7) = ( 0.0000000 0.0000000 0.1297741), wk = 0.0036900 k( 8) = ( 0.0000000 0.0000000 0.1514031), wk = 0.0036900 k( 9) = ( 0.0000000 0.0000000 0.1730321), wk = 0.0036900 k( 10) = ( 0.0000000 0.0000000 0.1946611), wk = 0.0036900 k( 11) = ( 0.0000000 0.0000000 0.2162901), wk = 0.0036900 k( 12) = ( 0.0000000 0.0000000 0.2379191), wk = 0.0036900 k( 13) = ( 0.0000000 0.0000000 0.2595481), wk = 0.0036900 k( 14) = ( 0.0000000 0.0000000 0.2811771), wk = 0.0036900 k( 15) = ( 0.0000000 0.0000000 0.3028061), wk = 0.0036900 k( 16) = ( 0.0000000 0.0000000 0.3244352), wk = 0.0036900 k( 17) = ( 0.0000000 0.0000000 0.3460642), wk = 0.0036900 k( 18) = ( 0.0000000 0.0000000 0.3676932), wk = 0.0036900 k( 19) = ( 0.0000000 0.0000000 0.3893222), wk = 0.0036900 k( 20) = ( 0.0000000 0.0000000 0.4109512), wk = 0.0036900 k( 21) = ( 0.0000000 0.0000000 0.4325802), wk = 0.0036900 k( 22) = ( 0.0000000 0.0000000 0.4542092), wk = 0.0036900 k( 23) = ( 0.0000000 0.0000000 0.4758382), wk = 0.0036900 k( 24) = ( 0.0000000 0.0000000 0.4974672), wk = 0.0036900 k( 25) = ( 0.0000000 0.0000000 0.5190962), wk = 0.0036900 k( 26) = ( 0.0000000 0.0000000 0.5407253), wk = 0.0036900 k( 27) = ( 0.0000000 0.0000000 0.5623543), wk = 0.0036900 k( 28) = ( 0.0000000 0.0000000 0.5839833), wk = 0.0036900 k( 29) = ( 0.0000000 0.0000000 0.6056123), wk = 0.0036900 k( 30) = ( 0.0000000 0.0000000 0.6272413), wk = 0.0036900 k( 31) = ( 0.0000000 0.0000000 0.6488703), wk = 0.0036900 k( 32) = ( 0.0000000 0.0000000 0.6704993), wk = 0.0036900 k( 33) = ( 0.0000000 0.0000000 0.6921283), wk = 0.0036900 k( 34) = ( 0.0000000 0.0000000 0.7137573), wk = 0.0036900 k( 35) = ( 0.0000000 0.0000000 0.7353863), wk = 0.0036900 k( 36) = ( 0.0000000 0.0000000 0.7570154), wk = 0.0036900 k( 37) = ( 0.0000000 0.0000000 0.7786444), wk = 0.0036900 k( 38) = ( 0.0000000 0.0000000 0.8002734), wk = 0.0036900 k( 39) = ( 0.0000000 0.0000000 0.8219024), wk = 0.0036900 k( 40) = ( 0.0000000 0.0000000 0.8435314), wk = 0.0036900 k( 41) = ( 0.0000000 0.0000000 0.8651604), wk = 0.0036900 k( 42) = ( 0.0000000 0.0000000 0.8651604), wk = 0.0036900 k( 43) = ( -0.0125375 0.0177042 0.8651604), wk = 0.0036900 k( 44) = ( -0.0250751 0.0354084 0.8651604), wk = 0.0036900 k( 45) = ( -0.0376126 0.0531126 0.8651604), wk = 0.0036900 k( 46) = ( -0.0501502 0.0708168 0.8651604), wk = 0.0036900 k( 47) = ( -0.0626878 0.0885210 0.8651604), wk = 0.0036900 k( 48) = ( -0.0752253 0.1062252 0.8651604), wk = 0.0036900 k( 49) = ( -0.0877628 0.1239294 0.8651604), wk = 0.0036900 k( 50) = ( -0.1003004 0.1416336 0.8651604), wk = 0.0036900 k( 51) = ( -0.1128379 0.1593378 0.8651604), wk = 0.0036900 k( 52) = ( -0.1253755 0.1770420 0.8651604), wk = 0.0036900 k( 53) = ( -0.1253755 0.1770420 0.8651604), wk = 0.0036900 k( 54) = ( -0.1342951 0.1896374 0.8497266), wk = 0.0036900 k( 55) = ( -0.1432148 0.2022327 0.8342928), wk = 0.0036900 k( 56) = ( -0.1521344 0.2148281 0.8188589), wk = 0.0036900 k( 57) = ( -0.1610540 0.2274235 0.8034251), wk = 0.0036900 k( 58) = ( -0.1699737 0.2400188 0.7879913), wk = 0.0036900 k( 59) = ( -0.1788933 0.2526142 0.7725575), wk = 0.0036900 k( 60) = ( -0.1878129 0.2652095 0.7571236), wk = 0.0036900 k( 61) = ( -0.1967325 0.2778049 0.7416898), wk = 0.0036900 k( 62) = ( -0.2056522 0.2904002 0.7262560), wk = 0.0036900 k( 63) = ( -0.2145718 0.3029956 0.7108222), wk = 0.0036900 k( 64) = ( -0.2234914 0.3155910 0.6953884), wk = 0.0036900 k( 65) = ( -0.2324111 0.3281863 0.6799545), wk = 0.0036900 k( 66) = ( -0.2413307 0.3407817 0.6645207), wk = 0.0036900 k( 67) = ( -0.2502503 0.3533770 0.6490869), wk = 0.0036900 k( 68) = ( -0.2591700 0.3659724 0.6336531), wk = 0.0036900 k( 69) = ( -0.2680896 0.3785678 0.6182192), wk = 0.0036900 k( 70) = ( -0.2770092 0.3911631 0.6027854), wk = 0.0036900 k( 71) = ( -0.2859289 0.4037585 0.5873516), wk = 0.0036900 k( 72) = ( -0.2948485 0.4163538 0.5719178), wk = 0.0036900 k( 73) = ( -0.3037681 0.4289492 0.5564839), wk = 0.0036900 k( 74) = ( -0.3126877 0.4415446 0.5410501), wk = 0.0036900 k( 75) = ( -0.3126877 0.4415446 0.5410501), wk = 0.0036900 k( 76) = ( -0.3037538 0.4289290 0.5255915), wk = 0.0036900 k( 77) = ( -0.2948199 0.4163134 0.5101330), wk = 0.0036900 k( 78) = ( -0.2858859 0.4036979 0.4946744), wk = 0.0036900 k( 79) = ( -0.2769520 0.3910823 0.4792158), wk = 0.0036900 k( 80) = ( -0.2680181 0.3784668 0.4637572), wk = 0.0036900 k( 81) = ( -0.2590841 0.3658512 0.4482987), wk = 0.0036900 k( 82) = ( -0.2501502 0.3532357 0.4328401), wk = 0.0036900 k( 83) = ( -0.2412163 0.3406201 0.4173815), wk = 0.0036900 k( 84) = ( -0.2322823 0.3280045 0.4019230), wk = 0.0036900 k( 85) = ( -0.2233484 0.3153890 0.3864644), wk = 0.0036900 k( 86) = ( -0.2144145 0.3027734 0.3710058), wk = 0.0036900 k( 87) = ( -0.2054805 0.2901579 0.3555472), wk = 0.0036900 k( 88) = ( -0.1965466 0.2775423 0.3400886), wk = 0.0036900 k( 89) = ( -0.1876126 0.2649267 0.3246301), wk = 0.0036900 k( 90) = ( -0.1786787 0.2523112 0.3091715), wk = 0.0036900 k( 91) = ( -0.1697448 0.2396956 0.2937129), wk = 0.0036900 k( 92) = ( -0.1608108 0.2270801 0.2782543), wk = 0.0036900 k( 93) = ( -0.1518769 0.2144645 0.2627958), wk = 0.0036900 k( 94) = ( -0.1429430 0.2018489 0.2473372), wk = 0.0036900 k( 95) = ( -0.1340090 0.1892334 0.2318786), wk = 0.0036900 k( 96) = ( -0.1250751 0.1766178 0.2164200), wk = 0.0036900 k( 97) = ( -0.1161412 0.1640023 0.2009615), wk = 0.0036900 k( 98) = ( -0.1072072 0.1513867 0.1855029), wk = 0.0036900 k( 99) = ( -0.0982733 0.1387711 0.1700443), wk = 0.0036900 k( 100) = ( -0.0893394 0.1261556 0.1545858), wk = 0.0036900 k( 101) = ( -0.0804054 0.1135400 0.1391272), wk = 0.0036900 k( 102) = ( -0.0714715 0.1009245 0.1236686), wk = 0.0036900 k( 103) = ( -0.0625375 0.0883089 0.1082100), wk = 0.0036900 k( 104) = ( -0.0536036 0.0756933 0.0927514), wk = 0.0036900 k( 105) = ( -0.0446697 0.0630778 0.0772929), wk = 0.0036900 k( 106) = ( -0.0357357 0.0504622 0.0618343), wk = 0.0036900 k( 107) = ( -0.0268018 0.0378467 0.0463757), wk = 0.0036900 k( 108) = ( -0.0178679 0.0252311 0.0309171), wk = 0.0036900 k( 109) = ( -0.0089339 0.0126156 0.0154586), wk = 0.0036900 k( 110) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036900 k( 111) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036900 k( 112) = ( 0.0178571 0.0126459 -0.0000000), wk = 0.0036900 k( 113) = ( 0.0357143 0.0252917 0.0000000), wk = 0.0036900 k( 114) = ( 0.0535714 0.0379376 0.0000000), wk = 0.0036900 k( 115) = ( 0.0714286 0.0505834 -0.0000000), wk = 0.0036900 k( 116) = ( 0.0892857 0.0632293 0.0000000), wk = 0.0036900 k( 117) = ( 0.1071429 0.0758751 0.0000000), wk = 0.0036900 k( 118) = ( 0.1250000 0.0885210 -0.0000000), wk = 0.0036900 k( 119) = ( 0.1428571 0.1011669 -0.0000000), wk = 0.0036900 k( 120) = ( 0.1607143 0.1138127 0.0000000), wk = 0.0036900 k( 121) = ( 0.1785714 0.1264586 -0.0000000), wk = 0.0036900 k( 122) = ( 0.1964286 0.1391044 0.0000000), wk = 0.0036900 k( 123) = ( 0.2142857 0.1517503 -0.0000000), wk = 0.0036900 k( 124) = ( 0.2321429 0.1643962 -0.0000000), wk = 0.0036900 k( 125) = ( 0.2500000 0.1770420 -0.0000000), wk = 0.0036900 k( 126) = ( 0.2678571 0.1896879 0.0000000), wk = 0.0036900 k( 127) = ( 0.2857143 0.2023337 0.0000000), wk = 0.0036900 k( 128) = ( 0.3035714 0.2149796 0.0000000), wk = 0.0036900 k( 129) = ( 0.3214286 0.2276254 0.0000000), wk = 0.0036900 k( 130) = ( 0.3392857 0.2402713 -0.0000000), wk = 0.0036900 k( 131) = ( 0.3571429 0.2529172 -0.0000000), wk = 0.0036900 k( 132) = ( 0.3750000 0.2655630 0.0000000), wk = 0.0036900 k( 133) = ( 0.3928571 0.2782089 0.0000000), wk = 0.0036900 k( 134) = ( 0.4107143 0.2908547 -0.0000000), wk = 0.0036900 k( 135) = ( 0.4285714 0.3035006 -0.0000000), wk = 0.0036900 k( 136) = ( 0.4464286 0.3161464 0.0000000), wk = 0.0036900 k( 137) = ( 0.4642857 0.3287923 0.0000000), wk = 0.0036900 k( 138) = ( 0.4821429 0.3414382 0.0000000), wk = 0.0036900 k( 139) = ( 0.5000000 0.3540840 -0.0000000), wk = 0.0036900 k( 140) = ( 0.5000000 0.3540840 -0.0000000), wk = 0.0036900 k( 141) = ( 0.4910804 0.3666794 0.0154338), wk = 0.0036900 k( 142) = ( 0.4821607 0.3792747 0.0308676), wk = 0.0036900 k( 143) = ( 0.4732411 0.3918701 0.0463015), wk = 0.0036900 k( 144) = ( 0.4643215 0.4044654 0.0617353), wk = 0.0036900 k( 145) = ( 0.4554018 0.4170608 0.0771691), wk = 0.0036900 k( 146) = ( 0.4464822 0.4296562 0.0926029), wk = 0.0036900 k( 147) = ( 0.4375626 0.4422515 0.1080368), wk = 0.0036900 k( 148) = ( 0.4286430 0.4548469 0.1234706), wk = 0.0036900 k( 149) = ( 0.4197233 0.4674423 0.1389044), wk = 0.0036900 k( 150) = ( 0.4108037 0.4800376 0.1543382), wk = 0.0036900 k( 151) = ( 0.4018841 0.4926330 0.1697721), wk = 0.0036900 k( 152) = ( 0.3929644 0.5052283 0.1852059), wk = 0.0036900 k( 153) = ( 0.3840448 0.5178237 0.2006397), wk = 0.0036900 k( 154) = ( 0.3751252 0.5304191 0.2160735), wk = 0.0036900 k( 155) = ( 0.3662055 0.5430144 0.2315074), wk = 0.0036900 k( 156) = ( 0.3572859 0.5556098 0.2469412), wk = 0.0036900 k( 157) = ( 0.3483663 0.5682051 0.2623750), wk = 0.0036900 k( 158) = ( 0.3394466 0.5808005 0.2778088), wk = 0.0036900 k( 159) = ( 0.3305270 0.5933958 0.2932426), wk = 0.0036900 k( 160) = ( 0.3216074 0.6059912 0.3086765), wk = 0.0036900 k( 161) = ( 0.3126877 0.6185866 0.3241103), wk = 0.0036900 k( 162) = ( 0.3126877 0.6185866 0.3241103), wk = 0.0036900 k( 163) = ( 0.2931448 0.6130540 0.3308897), wk = 0.0036900 k( 164) = ( 0.2736018 0.6075214 0.3376690), wk = 0.0036900 k( 165) = ( 0.2540588 0.6019889 0.3444484), wk = 0.0036900 k( 166) = ( 0.2345158 0.5964563 0.3512278), wk = 0.0036900 k( 167) = ( 0.2149728 0.5909238 0.3580071), wk = 0.0036900 k( 168) = ( 0.1954298 0.5853912 0.3647865), wk = 0.0036900 k( 169) = ( 0.1758869 0.5798586 0.3715659), wk = 0.0036900 k( 170) = ( 0.1563439 0.5743261 0.3783453), wk = 0.0036900 k( 171) = ( 0.1368009 0.5687935 0.3851246), wk = 0.0036900 k( 172) = ( 0.1172579 0.5632610 0.3919040), wk = 0.0036900 k( 173) = ( 0.0977149 0.5577284 0.3986834), wk = 0.0036900 k( 174) = ( 0.0781719 0.5521958 0.4054627), wk = 0.0036900 k( 175) = ( 0.0586289 0.5466633 0.4122421), wk = 0.0036900 k( 176) = ( 0.0390860 0.5411307 0.4190215), wk = 0.0036900 k( 177) = ( 0.0195430 0.5355981 0.4258008), wk = 0.0036900 k( 178) = ( 0.0000000 0.5300656 0.4325802), wk = 0.0036900 k( 179) = ( 0.0000000 0.5300656 0.4325802), wk = 0.0036900 k( 180) = ( 0.0089286 0.5174576 0.4480295), wk = 0.0036900 k( 181) = ( 0.0178571 0.5048496 0.4634788), wk = 0.0036900 k( 182) = ( 0.0267857 0.4922416 0.4789281), wk = 0.0036900 k( 183) = ( 0.0357143 0.4796336 0.4943774), wk = 0.0036900 k( 184) = ( 0.0446429 0.4670256 0.5098267), wk = 0.0036900 k( 185) = ( 0.0535714 0.4544177 0.5252760), wk = 0.0036900 k( 186) = ( 0.0625000 0.4418097 0.5407253), wk = 0.0036900 k( 187) = ( 0.0714286 0.4292017 0.5561745), wk = 0.0036900 k( 188) = ( 0.0803571 0.4165937 0.5716238), wk = 0.0036900 k( 189) = ( 0.0892857 0.4039857 0.5870731), wk = 0.0036900 k( 190) = ( 0.0982143 0.3913777 0.6025224), wk = 0.0036900 k( 191) = ( 0.1071429 0.3787698 0.6179717), wk = 0.0036900 k( 192) = ( 0.1160714 0.3661618 0.6334210), wk = 0.0036900 k( 193) = ( 0.1250000 0.3535538 0.6488703), wk = 0.0036900 k( 194) = ( 0.1339286 0.3409458 0.6643196), wk = 0.0036900 k( 195) = ( 0.1428571 0.3283378 0.6797689), wk = 0.0036900 k( 196) = ( 0.1517857 0.3157298 0.6952182), wk = 0.0036900 k( 197) = ( 0.1607143 0.3031218 0.7106675), wk = 0.0036900 k( 198) = ( 0.1696429 0.2905139 0.7261168), wk = 0.0036900 k( 199) = ( 0.1785714 0.2779059 0.7415661), wk = 0.0036900 k( 200) = ( 0.1875000 0.2652979 0.7570154), wk = 0.0036900 k( 201) = ( 0.1964286 0.2526899 0.7724646), wk = 0.0036900 k( 202) = ( 0.2053571 0.2400819 0.7879139), wk = 0.0036900 k( 203) = ( 0.2142857 0.2274740 0.8033632), wk = 0.0036900 k( 204) = ( 0.2232143 0.2148660 0.8188125), wk = 0.0036900 k( 205) = ( 0.2321429 0.2022580 0.8342618), wk = 0.0036900 k( 206) = ( 0.2410714 0.1896500 0.8497111), wk = 0.0036900 k( 207) = ( 0.2500000 0.1770420 0.8651604), wk = 0.0036900 k( 208) = ( 0.2500000 0.1770420 0.8651604), wk = 0.0036900 k( 209) = ( 0.2647059 0.1874562 0.8523992), wk = 0.0036900 k( 210) = ( 0.2794118 0.1978705 0.8396381), wk = 0.0036900 k( 211) = ( 0.2941177 0.2082847 0.8268769), wk = 0.0036900 k( 212) = ( 0.3088235 0.2186990 0.8141158), wk = 0.0036900 k( 213) = ( 0.3235294 0.2291132 0.8013546), wk = 0.0036900 k( 214) = ( 0.3382353 0.2395274 0.7885934), wk = 0.0036900 k( 215) = ( 0.3529412 0.2499417 0.7758323), wk = 0.0036900 k( 216) = ( 0.3676471 0.2603559 0.7630711), wk = 0.0036900 k( 217) = ( 0.3823529 0.2707701 0.7503099), wk = 0.0036900 k( 218) = ( 0.3970588 0.2811844 0.7375487), wk = 0.0036900 k( 219) = ( 0.4117647 0.2915986 0.7247876), wk = 0.0036900 k( 220) = ( 0.4264706 0.3020128 0.7120264), wk = 0.0036900 k( 221) = ( 0.4411765 0.3124271 0.6992652), wk = 0.0036900 k( 222) = ( 0.4558823 0.3228413 0.6865041), wk = 0.0036900 k( 223) = ( 0.4705882 0.3332555 0.6737429), wk = 0.0036900 k( 224) = ( 0.4852941 0.3436698 0.6609818), wk = 0.0036900 k( 225) = ( 0.5000000 0.3540840 0.6482206), wk = 0.0036900 k( 226) = ( 0.5000000 0.3540840 0.6482206), wk = 0.0036900 k( 227) = ( 0.5000000 0.3540840 0.6266132), wk = 0.0036900 k( 228) = ( 0.5000000 0.3540840 0.6050059), wk = 0.0036900 k( 229) = ( 0.5000000 0.3540840 0.5833985), wk = 0.0036900 k( 230) = ( 0.5000000 0.3540840 0.5617912), wk = 0.0036900 k( 231) = ( 0.5000000 0.3540840 0.5401838), wk = 0.0036900 k( 232) = ( 0.5000000 0.3540840 0.5185765), wk = 0.0036900 k( 233) = ( 0.5000000 0.3540840 0.4969691), wk = 0.0036900 k( 234) = ( 0.5000000 0.3540840 0.4753618), wk = 0.0036900 k( 235) = ( 0.5000000 0.3540840 0.4537544), wk = 0.0036900 k( 236) = ( 0.5000000 0.3540840 0.4321471), wk = 0.0036900 k( 237) = ( 0.5000000 0.3540840 0.4105397), wk = 0.0036900 k( 238) = ( 0.5000000 0.3540840 0.3889324), wk = 0.0036900 k( 239) = ( 0.5000000 0.3540840 0.3673250), wk = 0.0036900 k( 240) = ( 0.5000000 0.3540840 0.3457176), wk = 0.0036900 k( 241) = ( 0.5000000 0.3540840 0.3241103), wk = 0.0036900 k( 242) = ( 0.5000000 0.3540840 0.3025029), wk = 0.0036900 k( 243) = ( 0.5000000 0.3540840 0.2808956), wk = 0.0036900 k( 244) = ( 0.5000000 0.3540840 0.2592882), wk = 0.0036900 k( 245) = ( 0.5000000 0.3540840 0.2376809), wk = 0.0036900 k( 246) = ( 0.5000000 0.3540840 0.2160735), wk = 0.0036900 k( 247) = ( 0.5000000 0.3540840 0.1944662), wk = 0.0036900 k( 248) = ( 0.5000000 0.3540840 0.1728588), wk = 0.0036900 k( 249) = ( 0.5000000 0.3540840 0.1512515), wk = 0.0036900 k( 250) = ( 0.5000000 0.3540840 0.1296441), wk = 0.0036900 k( 251) = ( 0.5000000 0.3540840 0.1080368), wk = 0.0036900 k( 252) = ( 0.5000000 0.3540840 0.0864294), wk = 0.0036900 k( 253) = ( 0.5000000 0.3540840 0.0648221), wk = 0.0036900 k( 254) = ( 0.5000000 0.3540840 0.0432147), wk = 0.0036900 k( 255) = ( 0.5000000 0.3540840 0.0216073), wk = 0.0036900 k( 256) = ( 0.5000000 0.3540840 -0.0000000), wk = 0.0036900 k( 257) = ( 0.0000000 0.0000000 0.8651604), wk = 0.0036900 k( 258) = ( 0.0178571 0.0126459 0.8651604), wk = 0.0036900 k( 259) = ( 0.0357143 0.0252917 0.8651604), wk = 0.0036900 k( 260) = ( 0.0535714 0.0379376 0.8651604), wk = 0.0036900 k( 261) = ( 0.0714286 0.0505834 0.8651604), wk = 0.0036900 k( 262) = ( 0.0892857 0.0632293 0.8651604), wk = 0.0036900 k( 263) = ( 0.1071429 0.0758751 0.8651604), wk = 0.0036900 k( 264) = ( 0.1250000 0.0885210 0.8651604), wk = 0.0036900 k( 265) = ( 0.1428571 0.1011669 0.8651604), wk = 0.0036900 k( 266) = ( 0.1607143 0.1138127 0.8651604), wk = 0.0036900 k( 267) = ( 0.1785714 0.1264586 0.8651604), wk = 0.0036900 k( 268) = ( 0.1964286 0.1391044 0.8651604), wk = 0.0036900 k( 269) = ( 0.2142857 0.1517503 0.8651604), wk = 0.0036900 k( 270) = ( 0.2321429 0.1643962 0.8651604), wk = 0.0036900 k( 271) = ( 0.2500000 0.1770420 0.8651604), wk = 0.0036900 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036900 k( 2) = ( 0.0000000 0.0000000 0.0125000), wk = 0.0036900 k( 3) = ( 0.0000000 0.0000000 0.0250000), wk = 0.0036900 k( 4) = ( 0.0000000 0.0000000 0.0375000), wk = 0.0036900 k( 5) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0036900 k( 6) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0036900 k( 7) = ( 0.0000000 0.0000000 0.0750000), wk = 0.0036900 k( 8) = ( 0.0000000 0.0000000 0.0875000), wk = 0.0036900 k( 9) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0036900 k( 10) = ( 0.0000000 0.0000000 0.1125000), wk = 0.0036900 k( 11) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0036900 k( 12) = ( 0.0000000 0.0000000 0.1375000), wk = 0.0036900 k( 13) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0036900 k( 14) = ( 0.0000000 0.0000000 0.1625000), wk = 0.0036900 k( 15) = ( 0.0000000 0.0000000 0.1750000), wk = 0.0036900 k( 16) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0036900 k( 17) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0036900 k( 18) = ( 0.0000000 0.0000000 0.2125000), wk = 0.0036900 k( 19) = ( 0.0000000 0.0000000 0.2250000), wk = 0.0036900 k( 20) = ( 0.0000000 0.0000000 0.2375000), wk = 0.0036900 k( 21) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0036900 k( 22) = ( 0.0000000 0.0000000 0.2625000), wk = 0.0036900 k( 23) = ( 0.0000000 0.0000000 0.2750000), wk = 0.0036900 k( 24) = ( 0.0000000 0.0000000 0.2875000), wk = 0.0036900 k( 25) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0036900 k( 26) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0036900 k( 27) = ( 0.0000000 0.0000000 0.3250000), wk = 0.0036900 k( 28) = ( 0.0000000 0.0000000 0.3375000), wk = 0.0036900 k( 29) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0036900 k( 30) = ( 0.0000000 0.0000000 0.3625000), wk = 0.0036900 k( 31) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0036900 k( 32) = ( 0.0000000 0.0000000 0.3875000), wk = 0.0036900 k( 33) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0036900 k( 34) = ( 0.0000000 0.0000000 0.4125000), wk = 0.0036900 k( 35) = ( 0.0000000 0.0000000 0.4250000), wk = 0.0036900 k( 36) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0036900 k( 37) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0036900 k( 38) = ( 0.0000000 0.0000000 0.4625000), wk = 0.0036900 k( 39) = ( 0.0000000 0.0000000 0.4750000), wk = 0.0036900 k( 40) = ( 0.0000000 0.0000000 0.4875000), wk = 0.0036900 k( 41) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036900 k( 42) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036900 k( 43) = ( -0.0125375 0.0125375 0.5000000), wk = 0.0036900 k( 44) = ( -0.0250751 0.0250751 0.5000000), wk = 0.0036900 k( 45) = ( -0.0376126 0.0376126 0.5000000), wk = 0.0036900 k( 46) = ( -0.0501502 0.0501502 0.5000000), wk = 0.0036900 k( 47) = ( -0.0626878 0.0626878 0.5000000), wk = 0.0036900 k( 48) = ( -0.0752253 0.0752253 0.5000000), wk = 0.0036900 k( 49) = ( -0.0877628 0.0877628 0.5000000), wk = 0.0036900 k( 50) = ( -0.1003004 0.1003004 0.5000000), wk = 0.0036900 k( 51) = ( -0.1128379 0.1128379 0.5000000), wk = 0.0036900 k( 52) = ( -0.1253755 0.1253755 0.5000000), wk = 0.0036900 k( 53) = ( -0.1253755 0.1253755 0.5000000), wk = 0.0036900 k( 54) = ( -0.1342951 0.1342951 0.4910804), wk = 0.0036900 k( 55) = ( -0.1432148 0.1432147 0.4821607), wk = 0.0036900 k( 56) = ( -0.1521344 0.1521344 0.4732411), wk = 0.0036900 k( 57) = ( -0.1610540 0.1610540 0.4643215), wk = 0.0036900 k( 58) = ( -0.1699737 0.1699737 0.4554018), wk = 0.0036900 k( 59) = ( -0.1788933 0.1788933 0.4464822), wk = 0.0036900 k( 60) = ( -0.1878129 0.1878129 0.4375626), wk = 0.0036900 k( 61) = ( -0.1967325 0.1967325 0.4286430), wk = 0.0036900 k( 62) = ( -0.2056522 0.2056522 0.4197233), wk = 0.0036900 k( 63) = ( -0.2145718 0.2145718 0.4108037), wk = 0.0036900 k( 64) = ( -0.2234914 0.2234914 0.4018841), wk = 0.0036900 k( 65) = ( -0.2324111 0.2324111 0.3929644), wk = 0.0036900 k( 66) = ( -0.2413307 0.2413307 0.3840448), wk = 0.0036900 k( 67) = ( -0.2502503 0.2502503 0.3751252), wk = 0.0036900 k( 68) = ( -0.2591700 0.2591700 0.3662055), wk = 0.0036900 k( 69) = ( -0.2680896 0.2680896 0.3572859), wk = 0.0036900 k( 70) = ( -0.2770092 0.2770092 0.3483663), wk = 0.0036900 k( 71) = ( -0.2859289 0.2859289 0.3394466), wk = 0.0036900 k( 72) = ( -0.2948485 0.2948485 0.3305270), wk = 0.0036900 k( 73) = ( -0.3037681 0.3037681 0.3216074), wk = 0.0036900 k( 74) = ( -0.3126877 0.3126877 0.3126878), wk = 0.0036900 k( 75) = ( -0.3126877 0.3126877 0.3126878), wk = 0.0036900 k( 76) = ( -0.3037538 0.3037538 0.3037538), wk = 0.0036900 k( 77) = ( -0.2948199 0.2948199 0.2948199), wk = 0.0036900 k( 78) = ( -0.2858859 0.2858859 0.2858859), wk = 0.0036900 k( 79) = ( -0.2769520 0.2769520 0.2769520), wk = 0.0036900 k( 80) = ( -0.2680181 0.2680181 0.2680181), wk = 0.0036900 k( 81) = ( -0.2590841 0.2590841 0.2590841), wk = 0.0036900 k( 82) = ( -0.2501502 0.2501502 0.2501502), wk = 0.0036900 k( 83) = ( -0.2412163 0.2412163 0.2412163), wk = 0.0036900 k( 84) = ( -0.2322823 0.2322823 0.2322823), wk = 0.0036900 k( 85) = ( -0.2233484 0.2233484 0.2233484), wk = 0.0036900 k( 86) = ( -0.2144145 0.2144145 0.2144145), wk = 0.0036900 k( 87) = ( -0.2054805 0.2054805 0.2054805), wk = 0.0036900 k( 88) = ( -0.1965466 0.1965466 0.1965466), wk = 0.0036900 k( 89) = ( -0.1876126 0.1876127 0.1876126), wk = 0.0036900 k( 90) = ( -0.1786787 0.1786787 0.1786787), wk = 0.0036900 k( 91) = ( -0.1697448 0.1697448 0.1697448), wk = 0.0036900 k( 92) = ( -0.1608108 0.1608108 0.1608108), wk = 0.0036900 k( 93) = ( -0.1518769 0.1518769 0.1518769), wk = 0.0036900 k( 94) = ( -0.1429430 0.1429430 0.1429430), wk = 0.0036900 k( 95) = ( -0.1340090 0.1340090 0.1340090), wk = 0.0036900 k( 96) = ( -0.1250751 0.1250751 0.1250751), wk = 0.0036900 k( 97) = ( -0.1161412 0.1161412 0.1161412), wk = 0.0036900 k( 98) = ( -0.1072072 0.1072072 0.1072072), wk = 0.0036900 k( 99) = ( -0.0982733 0.0982733 0.0982733), wk = 0.0036900 k( 100) = ( -0.0893394 0.0893394 0.0893394), wk = 0.0036900 k( 101) = ( -0.0804054 0.0804054 0.0804054), wk = 0.0036900 k( 102) = ( -0.0714715 0.0714715 0.0714715), wk = 0.0036900 k( 103) = ( -0.0625375 0.0625375 0.0625375), wk = 0.0036900 k( 104) = ( -0.0536036 0.0536036 0.0536036), wk = 0.0036900 k( 105) = ( -0.0446697 0.0446697 0.0446697), wk = 0.0036900 k( 106) = ( -0.0357357 0.0357357 0.0357357), wk = 0.0036900 k( 107) = ( -0.0268018 0.0268018 0.0268018), wk = 0.0036900 k( 108) = ( -0.0178679 0.0178679 0.0178679), wk = 0.0036900 k( 109) = ( -0.0089339 0.0089339 0.0089339), wk = 0.0036900 k( 110) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036900 k( 111) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036900 k( 112) = ( 0.0178571 0.0178571 -0.0178571), wk = 0.0036900 k( 113) = ( 0.0357143 0.0357143 -0.0357143), wk = 0.0036900 k( 114) = ( 0.0535714 0.0535714 -0.0535714), wk = 0.0036900 k( 115) = ( 0.0714286 0.0714286 -0.0714286), wk = 0.0036900 k( 116) = ( 0.0892857 0.0892857 -0.0892857), wk = 0.0036900 k( 117) = ( 0.1071429 0.1071429 -0.1071429), wk = 0.0036900 k( 118) = ( 0.1250000 0.1250000 -0.1250000), wk = 0.0036900 k( 119) = ( 0.1428571 0.1428571 -0.1428571), wk = 0.0036900 k( 120) = ( 0.1607143 0.1607143 -0.1607143), wk = 0.0036900 k( 121) = ( 0.1785714 0.1785714 -0.1785714), wk = 0.0036900 k( 122) = ( 0.1964286 0.1964286 -0.1964286), wk = 0.0036900 k( 123) = ( 0.2142857 0.2142857 -0.2142857), wk = 0.0036900 k( 124) = ( 0.2321429 0.2321429 -0.2321429), wk = 0.0036900 k( 125) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0036900 k( 126) = ( 0.2678571 0.2678571 -0.2678571), wk = 0.0036900 k( 127) = ( 0.2857143 0.2857143 -0.2857143), wk = 0.0036900 k( 128) = ( 0.3035714 0.3035714 -0.3035714), wk = 0.0036900 k( 129) = ( 0.3214286 0.3214286 -0.3214286), wk = 0.0036900 k( 130) = ( 0.3392857 0.3392857 -0.3392857), wk = 0.0036900 k( 131) = ( 0.3571429 0.3571429 -0.3571429), wk = 0.0036900 k( 132) = ( 0.3750000 0.3750000 -0.3750000), wk = 0.0036900 k( 133) = ( 0.3928571 0.3928571 -0.3928571), wk = 0.0036900 k( 134) = ( 0.4107143 0.4107143 -0.4107143), wk = 0.0036900 k( 135) = ( 0.4285714 0.4285714 -0.4285714), wk = 0.0036900 k( 136) = ( 0.4464286 0.4464286 -0.4464286), wk = 0.0036900 k( 137) = ( 0.4642857 0.4642857 -0.4642857), wk = 0.0036900 k( 138) = ( 0.4821429 0.4821429 -0.4821429), wk = 0.0036900 k( 139) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0036900 k( 140) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0036900 k( 141) = ( 0.4910804 0.5089196 -0.4910804), wk = 0.0036900 k( 142) = ( 0.4821607 0.5178393 -0.4821607), wk = 0.0036900 k( 143) = ( 0.4732411 0.5267589 -0.4732411), wk = 0.0036900 k( 144) = ( 0.4643215 0.5356785 -0.4643215), wk = 0.0036900 k( 145) = ( 0.4554018 0.5445982 -0.4554018), wk = 0.0036900 k( 146) = ( 0.4464822 0.5535178 -0.4464822), wk = 0.0036900 k( 147) = ( 0.4375626 0.5624374 -0.4375626), wk = 0.0036900 k( 148) = ( 0.4286430 0.5713571 -0.4286430), wk = 0.0036900 k( 149) = ( 0.4197233 0.5802767 -0.4197233), wk = 0.0036900 k( 150) = ( 0.4108037 0.5891963 -0.4108037), wk = 0.0036900 k( 151) = ( 0.4018841 0.5981159 -0.4018841), wk = 0.0036900 k( 152) = ( 0.3929644 0.6070356 -0.3929644), wk = 0.0036900 k( 153) = ( 0.3840448 0.6159552 -0.3840448), wk = 0.0036900 k( 154) = ( 0.3751252 0.6248748 -0.3751252), wk = 0.0036900 k( 155) = ( 0.3662055 0.6337945 -0.3662055), wk = 0.0036900 k( 156) = ( 0.3572859 0.6427141 -0.3572859), wk = 0.0036900 k( 157) = ( 0.3483663 0.6516337 -0.3483663), wk = 0.0036900 k( 158) = ( 0.3394466 0.6605534 -0.3394466), wk = 0.0036900 k( 159) = ( 0.3305270 0.6694730 -0.3305270), wk = 0.0036900 k( 160) = ( 0.3216074 0.6783926 -0.3216074), wk = 0.0036900 k( 161) = ( 0.3126877 0.6873122 -0.3126877), wk = 0.0036900 k( 162) = ( 0.3126877 0.6873122 -0.3126877), wk = 0.0036900 k( 163) = ( 0.2931448 0.6756052 -0.2931448), wk = 0.0036900 k( 164) = ( 0.2736018 0.6638982 -0.2736018), wk = 0.0036900 k( 165) = ( 0.2540588 0.6521912 -0.2540588), wk = 0.0036900 k( 166) = ( 0.2345158 0.6404842 -0.2345158), wk = 0.0036900 k( 167) = ( 0.2149728 0.6287772 -0.2149728), wk = 0.0036900 k( 168) = ( 0.1954298 0.6170702 -0.1954298), wk = 0.0036900 k( 169) = ( 0.1758869 0.6053631 -0.1758869), wk = 0.0036900 k( 170) = ( 0.1563439 0.5936561 -0.1563439), wk = 0.0036900 k( 171) = ( 0.1368009 0.5819491 -0.1368009), wk = 0.0036900 k( 172) = ( 0.1172579 0.5702421 -0.1172579), wk = 0.0036900 k( 173) = ( 0.0977149 0.5585351 -0.0977149), wk = 0.0036900 k( 174) = ( 0.0781719 0.5468281 -0.0781719), wk = 0.0036900 k( 175) = ( 0.0586289 0.5351210 -0.0586290), wk = 0.0036900 k( 176) = ( 0.0390860 0.5234140 -0.0390860), wk = 0.0036900 k( 177) = ( 0.0195430 0.5117070 -0.0195430), wk = 0.0036900 k( 178) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0036900 k( 179) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0036900 k( 180) = ( 0.0089286 0.4910714 0.0089286), wk = 0.0036900 k( 181) = ( 0.0178571 0.4821429 0.0178571), wk = 0.0036900 k( 182) = ( 0.0267857 0.4732143 0.0267857), wk = 0.0036900 k( 183) = ( 0.0357143 0.4642857 0.0357143), wk = 0.0036900 k( 184) = ( 0.0446429 0.4553571 0.0446429), wk = 0.0036900 k( 185) = ( 0.0535714 0.4464286 0.0535714), wk = 0.0036900 k( 186) = ( 0.0625000 0.4375000 0.0625000), wk = 0.0036900 k( 187) = ( 0.0714286 0.4285714 0.0714286), wk = 0.0036900 k( 188) = ( 0.0803571 0.4196429 0.0803571), wk = 0.0036900 k( 189) = ( 0.0892857 0.4107143 0.0892857), wk = 0.0036900 k( 190) = ( 0.0982143 0.4017857 0.0982143), wk = 0.0036900 k( 191) = ( 0.1071429 0.3928571 0.1071429), wk = 0.0036900 k( 192) = ( 0.1160714 0.3839286 0.1160714), wk = 0.0036900 k( 193) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0036900 k( 194) = ( 0.1339286 0.3660714 0.1339286), wk = 0.0036900 k( 195) = ( 0.1428571 0.3571429 0.1428571), wk = 0.0036900 k( 196) = ( 0.1517857 0.3482143 0.1517857), wk = 0.0036900 k( 197) = ( 0.1607143 0.3392857 0.1607143), wk = 0.0036900 k( 198) = ( 0.1696429 0.3303571 0.1696429), wk = 0.0036900 k( 199) = ( 0.1785714 0.3214286 0.1785714), wk = 0.0036900 k( 200) = ( 0.1875000 0.3125000 0.1875000), wk = 0.0036900 k( 201) = ( 0.1964286 0.3035714 0.1964286), wk = 0.0036900 k( 202) = ( 0.2053571 0.2946429 0.2053571), wk = 0.0036900 k( 203) = ( 0.2142857 0.2857143 0.2142857), wk = 0.0036900 k( 204) = ( 0.2232143 0.2767857 0.2232143), wk = 0.0036900 k( 205) = ( 0.2321429 0.2678571 0.2321429), wk = 0.0036900 k( 206) = ( 0.2410714 0.2589286 0.2410714), wk = 0.0036900 k( 207) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036900 k( 208) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036900 k( 209) = ( 0.2647059 0.2647059 0.2279191), wk = 0.0036900 k( 210) = ( 0.2794118 0.2794118 0.2058382), wk = 0.0036900 k( 211) = ( 0.2941177 0.2941177 0.1837573), wk = 0.0036900 k( 212) = ( 0.3088235 0.3088235 0.1616764), wk = 0.0036900 k( 213) = ( 0.3235294 0.3235294 0.1395954), wk = 0.0036900 k( 214) = ( 0.3382353 0.3382353 0.1175145), wk = 0.0036900 k( 215) = ( 0.3529412 0.3529412 0.0954336), wk = 0.0036900 k( 216) = ( 0.3676471 0.3676471 0.0733527), wk = 0.0036900 k( 217) = ( 0.3823529 0.3823529 0.0512718), wk = 0.0036900 k( 218) = ( 0.3970588 0.3970588 0.0291909), wk = 0.0036900 k( 219) = ( 0.4117647 0.4117647 0.0071100), wk = 0.0036900 k( 220) = ( 0.4264706 0.4264706 -0.0149709), wk = 0.0036900 k( 221) = ( 0.4411765 0.4411765 -0.0370518), wk = 0.0036900 k( 222) = ( 0.4558823 0.4558823 -0.0591328), wk = 0.0036900 k( 223) = ( 0.4705882 0.4705882 -0.0812137), wk = 0.0036900 k( 224) = ( 0.4852941 0.4852941 -0.1032946), wk = 0.0036900 k( 225) = ( 0.5000000 0.5000000 -0.1253755), wk = 0.0036900 k( 226) = ( 0.5000000 0.5000000 -0.1253755), wk = 0.0036900 k( 227) = ( 0.5000000 0.5000000 -0.1378630), wk = 0.0036900 k( 228) = ( 0.5000000 0.5000000 -0.1503505), wk = 0.0036900 k( 229) = ( 0.5000000 0.5000000 -0.1628379), wk = 0.0036900 k( 230) = ( 0.5000000 0.5000000 -0.1753254), wk = 0.0036900 k( 231) = ( 0.5000000 0.5000000 -0.1878129), wk = 0.0036900 k( 232) = ( 0.5000000 0.5000000 -0.2003004), wk = 0.0036900 k( 233) = ( 0.5000000 0.5000000 -0.2127879), wk = 0.0036900 k( 234) = ( 0.5000000 0.5000000 -0.2252754), wk = 0.0036900 k( 235) = ( 0.5000000 0.5000000 -0.2377628), wk = 0.0036900 k( 236) = ( 0.5000000 0.5000000 -0.2502503), wk = 0.0036900 k( 237) = ( 0.5000000 0.5000000 -0.2627378), wk = 0.0036900 k( 238) = ( 0.5000000 0.5000000 -0.2752253), wk = 0.0036900 k( 239) = ( 0.5000000 0.5000000 -0.2877128), wk = 0.0036900 k( 240) = ( 0.5000000 0.5000000 -0.3002003), wk = 0.0036900 k( 241) = ( 0.5000000 0.5000000 -0.3126878), wk = 0.0036900 k( 242) = ( 0.5000000 0.5000000 -0.3251752), wk = 0.0036900 k( 243) = ( 0.5000000 0.5000000 -0.3376627), wk = 0.0036900 k( 244) = ( 0.5000000 0.5000000 -0.3501502), wk = 0.0036900 k( 245) = ( 0.5000000 0.5000000 -0.3626377), wk = 0.0036900 k( 246) = ( 0.5000000 0.5000000 -0.3751252), wk = 0.0036900 k( 247) = ( 0.5000000 0.5000000 -0.3876127), wk = 0.0036900 k( 248) = ( 0.5000000 0.5000000 -0.4001001), wk = 0.0036900 k( 249) = ( 0.5000000 0.5000000 -0.4125876), wk = 0.0036900 k( 250) = ( 0.5000000 0.5000000 -0.4250751), wk = 0.0036900 k( 251) = ( 0.5000000 0.5000000 -0.4375626), wk = 0.0036900 k( 252) = ( 0.5000000 0.5000000 -0.4500501), wk = 0.0036900 k( 253) = ( 0.5000000 0.5000000 -0.4625376), wk = 0.0036900 k( 254) = ( 0.5000000 0.5000000 -0.4750250), wk = 0.0036900 k( 255) = ( 0.5000000 0.5000000 -0.4875125), wk = 0.0036900 k( 256) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0036900 k( 257) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036900 k( 258) = ( 0.0178571 0.0178571 0.4821429), wk = 0.0036900 k( 259) = ( 0.0357143 0.0357143 0.4642857), wk = 0.0036900 k( 260) = ( 0.0535714 0.0535714 0.4464286), wk = 0.0036900 k( 261) = ( 0.0714286 0.0714286 0.4285714), wk = 0.0036900 k( 262) = ( 0.0892857 0.0892857 0.4107143), wk = 0.0036900 k( 263) = ( 0.1071429 0.1071429 0.3928571), wk = 0.0036900 k( 264) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0036900 k( 265) = ( 0.1428571 0.1428571 0.3571429), wk = 0.0036900 k( 266) = ( 0.1607143 0.1607143 0.3392857), wk = 0.0036900 k( 267) = ( 0.1785714 0.1785714 0.3214286), wk = 0.0036900 k( 268) = ( 0.1964286 0.1964286 0.3035714), wk = 0.0036900 k( 269) = ( 0.2142857 0.2142857 0.2857143), wk = 0.0036900 k( 270) = ( 0.2321429 0.2321429 0.2678571), wk = 0.0036900 k( 271) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036900 Dense grid: 533725 G-vectors FFT dimensions: ( 125, 125, 125) Smooth grid: 121189 G-vectors FFT dimensions: ( 75, 75, 75) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.43 Mb ( 634, 44) NL pseudopotentials 1.12 Mb ( 317, 232) Each V/rho on FFT grid 0.72 Mb ( 46875) Each G-vector array 0.08 Mb ( 11119) G-vector shells 0.04 Mb ( 5129) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.70 Mb ( 634, 176) Each subspace H/S matrix 0.47 Mb ( 176, 176) Each matrix 0.31 Mb ( 232, 2, 44) The potential is recalculated from file : ./BeSiSb2.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 47.4 secs Computing kpt #: 2 total cpu time spent up to now is 54.4 secs Computing kpt #: 3 total cpu time spent up to now is 62.3 secs Computing kpt #: 4 total cpu time spent up to now is 69.0 secs Computing kpt #: 5 total cpu time spent up to now is 75.7 secs Computing kpt #: 6 total cpu time spent up to now is 82.0 secs Computing kpt #: 7 total cpu time spent up to now is 88.2 secs Computing kpt #: 8 total cpu time spent up to now is 94.7 secs Computing kpt #: 9 total cpu time spent up to now is 101.0 secs Computing kpt #: 10 total cpu time spent up to now is 107.3 secs Computing kpt #: 11 total cpu time spent up to now is 113.4 secs Computing kpt #: 12 total cpu time spent up to now is 119.6 secs Computing kpt #: 13 total cpu time spent up to now is 126.0 secs Computing kpt #: 14 total cpu time spent up to now is 132.8 secs Computing kpt #: 15 total cpu time spent up to now is 140.1 secs Computing kpt #: 16 total cpu time spent up to now is 148.1 secs Computing kpt #: 17 total cpu time spent up to now is 156.2 secs Computing kpt #: 18 total cpu time spent up to now is 165.9 secs Computing kpt #: 19 total cpu time spent up to now is 173.2 secs Computing kpt #: 20 total cpu time spent up to now is 181.0 secs Computing kpt #: 21 total cpu time spent up to now is 189.8 secs Computing kpt #: 22 total cpu time spent up to now is 198.2 secs Computing kpt #: 23 total cpu time spent up to now is 207.2 secs Computing kpt #: 24 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 216.7 secs Computing kpt #: 25 total cpu time spent up to now is 224.4 secs Computing kpt #: 26 total cpu time spent up to now is 232.0 secs Computing kpt #: 27 total cpu time spent up to now is 239.7 secs Computing kpt #: 28 total cpu time spent up to now is 247.8 secs Computing kpt #: 29 total cpu time spent up to now is 255.8 secs Computing kpt #: 30 total cpu time spent up to now is 263.6 secs Computing kpt #: 31 total cpu time spent up to now is 272.2 secs Computing kpt #: 32 total cpu time spent up to now is 279.5 secs Computing kpt #: 33 total cpu time spent up to now is 286.2 secs Computing kpt #: 34 total cpu time spent up to now is 292.7 secs Computing kpt #: 35 total cpu time spent up to now is 298.7 secs Computing kpt #: 36 total cpu time spent up to now is 304.7 secs Computing kpt #: 37 total cpu time spent up to now is 310.7 secs Computing kpt #: 38 total cpu time spent up to now is 316.8 secs Computing kpt #: 39 total cpu time spent up to now is 322.7 secs Computing kpt #: 40 total cpu time spent up to now is 328.4 secs Computing kpt #: 41 total cpu time spent up to now is 335.3 secs Computing kpt #: 42 total cpu time spent up to now is 341.0 secs Computing kpt #: 43 total cpu time spent up to now is 346.7 secs Computing kpt #: 44 total cpu time spent up to now is 352.5 secs Computing kpt #: 45 total cpu time spent up to now is 358.4 secs Computing kpt #: 46 total cpu time spent up to now is 364.3 secs Computing kpt #: 47 total cpu time spent up to now is 370.2 secs Computing kpt #: 48 total cpu time spent up to now is 376.4 secs Computing kpt #: 49 total cpu time spent up to now is 382.5 secs Computing kpt #: 50 total cpu time spent up to now is 388.5 secs Computing kpt #: 51 total cpu time spent up to now is 394.6 secs Computing kpt #: 52 total cpu time spent up to now is 400.7 secs Computing kpt #: 53 total cpu time spent up to now is 406.8 secs Computing kpt #: 54 total cpu time spent up to now is 413.1 secs Computing kpt #: 55 total cpu time spent up to now is 419.3 secs Computing kpt #: 56 total cpu time spent up to now is 425.6 secs Computing kpt #: 57 total cpu time spent up to now is 432.0 secs Computing kpt #: 58 total cpu time spent up to now is 438.4 secs Computing kpt #: 59 total cpu time spent up to now is 444.7 secs Computing kpt #: 60 total cpu time spent up to now is 451.4 secs Computing kpt #: 61 total cpu time spent up to now is 458.0 secs Computing kpt #: 62 total cpu time spent up to now is 464.3 secs Computing kpt #: 63 total cpu time spent up to now is 470.7 secs Computing kpt #: 64 total cpu time spent up to now is 477.1 secs Computing kpt #: 65 total cpu time spent up to now is 483.7 secs Computing kpt #: 66 total cpu time spent up to now is 490.2 secs Computing kpt #: 67 total cpu time spent up to now is 496.6 secs Computing kpt #: 68 total cpu time spent up to now is 503.2 secs Computing kpt #: 69 total cpu time spent up to now is 509.4 secs Computing kpt #: 70 total cpu time spent up to now is 515.8 secs Computing kpt #: 71 total cpu time spent up to now is 522.5 secs Computing kpt #: 72 total cpu time spent up to now is 529.5 secs Computing kpt #: 73 total cpu time spent up to now is 536.4 secs Computing kpt #: 74 total cpu time spent up to now is 542.9 secs Computing kpt #: 75 total cpu time spent up to now is 549.9 secs Computing kpt #: 76 total cpu time spent up to now is 556.7 secs Computing kpt #: 77 total cpu time spent up to now is 563.5 secs Computing kpt #: 78 total cpu time spent up to now is 570.0 secs Computing kpt #: 79 total cpu time spent up to now is 576.0 secs Computing kpt #: 80 total cpu time spent up to now is 582.1 secs Computing kpt #: 81 total cpu time spent up to now is 588.3 secs Computing kpt #: 82 total cpu time spent up to now is 594.4 secs Computing kpt #: 83 total cpu time spent up to now is 601.0 secs Computing kpt #: 84 total cpu time spent up to now is 607.8 secs Computing kpt #: 85 total cpu time spent up to now is 614.9 secs Computing kpt #: 86 total cpu time spent up to now is 621.8 secs Computing kpt #: 87 total cpu time spent up to now is 628.8 secs Computing kpt #: 88 total cpu time spent up to now is 638.3 secs Computing kpt #: 89 total cpu time spent up to now is 645.3 secs Computing kpt #: 90 total cpu time spent up to now is 652.2 secs Computing kpt #: 91 total cpu time spent up to now is 659.4 secs Computing kpt #: 92 total cpu time spent up to now is 666.8 secs Computing kpt #: 93 total cpu time spent up to now is 673.9 secs Computing kpt #: 94 total cpu time spent up to now is 680.9 secs Computing kpt #: 95 total cpu time spent up to now is 688.1 secs Computing kpt #: 96 total cpu time spent up to now is 695.4 secs Computing kpt #: 97 total cpu time spent up to now is 702.1 secs Computing kpt #: 98 total cpu time spent up to now is 708.4 secs Computing kpt #: 99 total cpu time spent up to now is 715.3 secs Computing kpt #: 100 total cpu time spent up to now is 721.6 secs Computing kpt #: 101 total cpu time spent up to now is 727.9 secs Computing kpt #: 102 total cpu time spent up to now is 734.3 secs Computing kpt #: 103 total cpu time spent up to now is 741.4 secs Computing kpt #: 104 total cpu time spent up to now is 748.2 secs Computing kpt #: 105 total cpu time spent up to now is 755.9 secs Computing kpt #: 106 total cpu time spent up to now is 763.4 secs Computing kpt #: 107 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 773.1 secs Computing kpt #: 108 total cpu time spent up to now is 781.0 secs Computing kpt #: 109 total cpu time spent up to now is 787.8 secs Computing kpt #: 110 total cpu time spent up to now is 794.3 secs Computing kpt #: 111 total cpu time spent up to now is 801.3 secs Computing kpt #: 112 total cpu time spent up to now is 808.2 secs Computing kpt #: 113 total cpu time spent up to now is 815.3 secs Computing kpt #: 114 total cpu time spent up to now is 823.7 secs Computing kpt #: 115 total cpu time spent up to now is 831.3 secs Computing kpt #: 116 total cpu time spent up to now is 838.8 secs Computing kpt #: 117 total cpu time spent up to now is 847.5 secs Computing kpt #: 118 total cpu time spent up to now is 854.6 secs Computing kpt #: 119 total cpu time spent up to now is 862.2 secs Computing kpt #: 120 total cpu time spent up to now is 870.5 secs Computing kpt #: 121 total cpu time spent up to now is 879.0 secs Computing kpt #: 122 total cpu time spent up to now is 885.8 secs Computing kpt #: 123 total cpu time spent up to now is 892.5 secs Computing kpt #: 124 total cpu time spent up to now is 899.3 secs Computing kpt #: 125 total cpu time spent up to now is 905.9 secs Computing kpt #: 126 total cpu time spent up to now is 912.5 secs Computing kpt #: 127 total cpu time spent up to now is 919.1 secs Computing kpt #: 128 total cpu time spent up to now is 925.9 secs Computing kpt #: 129 total cpu time spent up to now is 933.0 secs Computing kpt #: 130 total cpu time spent up to now is 941.4 secs Computing kpt #: 131 total cpu time spent up to now is 947.8 secs Computing kpt #: 132 total cpu time spent up to now is 954.0 secs Computing kpt #: 133 total cpu time spent up to now is 960.2 secs Computing kpt #: 134 total cpu time spent up to now is 966.2 secs Computing kpt #: 135 total cpu time spent up to now is 972.3 secs Computing kpt #: 136 total cpu time spent up to now is 978.4 secs Computing kpt #: 137 total cpu time spent up to now is 984.3 secs Computing kpt #: 138 total cpu time spent up to now is 990.2 secs Computing kpt #: 139 total cpu time spent up to now is 996.1 secs Computing kpt #: 140 total cpu time spent up to now is 1002.2 secs Computing kpt #: 141 total cpu time spent up to now is 1008.4 secs Computing kpt #: 142 total cpu time spent up to now is 1014.5 secs Computing kpt #: 143 total cpu time spent up to now is 1020.7 secs Computing kpt #: 144 total cpu time spent up to now is 1026.9 secs Computing kpt #: 145 total cpu time spent up to now is 1033.1 secs Computing kpt #: 146 total cpu time spent up to now is 1039.2 secs Computing kpt #: 147 total cpu time spent up to now is 1045.3 secs Computing kpt #: 148 total cpu time spent up to now is 1051.5 secs Computing kpt #: 149 total cpu time spent up to now is 1057.7 secs Computing kpt #: 150 total cpu time spent up to now is 1063.8 secs Computing kpt #: 151 total cpu time spent up to now is 1070.0 secs Computing kpt #: 152 total cpu time spent up to now is 1076.3 secs Computing kpt #: 153 total cpu time spent up to now is 1082.5 secs Computing kpt #: 154 total cpu time spent up to now is 1088.8 secs Computing kpt #: 155 total cpu time spent up to now is 1095.0 secs Computing kpt #: 156 total cpu time spent up to now is 1101.3 secs Computing kpt #: 157 total cpu time spent up to now is 1107.6 secs Computing kpt #: 158 total cpu time spent up to now is 1113.7 secs Computing kpt #: 159 total cpu time spent up to now is 1120.3 secs Computing kpt #: 160 total cpu time spent up to now is 1126.9 secs Computing kpt #: 161 total cpu time spent up to now is 1133.6 secs Computing kpt #: 162 total cpu time spent up to now is 1140.4 secs Computing kpt #: 163 total cpu time spent up to now is 1146.7 secs Computing kpt #: 164 total cpu time spent up to now is 1153.1 secs Computing kpt #: 165 total cpu time spent up to now is 1159.5 secs Computing kpt #: 166 total cpu time spent up to now is 1165.7 secs Computing kpt #: 167 total cpu time spent up to now is 1172.1 secs Computing kpt #: 168 total cpu time spent up to now is 1178.4 secs Computing kpt #: 169 total cpu time spent up to now is 1184.9 secs Computing kpt #: 170 total cpu time spent up to now is 1191.2 secs Computing kpt #: 171 total cpu time spent up to now is 1197.5 secs Computing kpt #: 172 total cpu time spent up to now is 1203.9 secs Computing kpt #: 173 total cpu time spent up to now is 1210.3 secs Computing kpt #: 174 total cpu time spent up to now is 1216.8 secs Computing kpt #: 175 total cpu time spent up to now is 1223.2 secs Computing kpt #: 176 total cpu time spent up to now is 1229.6 secs Computing kpt #: 177 total cpu time spent up to now is 1238.8 secs Computing kpt #: 178 total cpu time spent up to now is 1245.2 secs Computing kpt #: 179 total cpu time spent up to now is 1251.6 secs Computing kpt #: 180 total cpu time spent up to now is 1258.0 secs Computing kpt #: 181 total cpu time spent up to now is 1264.4 secs Computing kpt #: 182 total cpu time spent up to now is 1270.8 secs Computing kpt #: 183 total cpu time spent up to now is 1277.5 secs Computing kpt #: 184 total cpu time spent up to now is 1284.0 secs Computing kpt #: 185 total cpu time spent up to now is 1290.9 secs Computing kpt #: 186 total cpu time spent up to now is 1297.3 secs Computing kpt #: 187 total cpu time spent up to now is 1304.2 secs Computing kpt #: 188 total cpu time spent up to now is 1310.6 secs Computing kpt #: 189 total cpu time spent up to now is 1317.1 secs Computing kpt #: 190 total cpu time spent up to now is 1323.5 secs Computing kpt #: 191 total cpu time spent up to now is 1329.9 secs Computing kpt #: 192 total cpu time spent up to now is 1336.3 secs Computing kpt #: 193 total cpu time spent up to now is 1342.6 secs Computing kpt #: 194 total cpu time spent up to now is 1348.9 secs Computing kpt #: 195 total cpu time spent up to now is 1355.2 secs Computing kpt #: 196 total cpu time spent up to now is 1361.5 secs Computing kpt #: 197 total cpu time spent up to now is 1367.7 secs Computing kpt #: 198 total cpu time spent up to now is 1373.9 secs Computing kpt #: 199 total cpu time spent up to now is 1380.2 secs Computing kpt #: 200 total cpu time spent up to now is 1386.5 secs Computing kpt #: 201 total cpu time spent up to now is 1392.7 secs Computing kpt #: 202 total cpu time spent up to now is 1399.1 secs Computing kpt #: 203 total cpu time spent up to now is 1405.4 secs Computing kpt #: 204 total cpu time spent up to now is 1411.4 secs Computing kpt #: 205 total cpu time spent up to now is 1417.3 secs Computing kpt #: 206 total cpu time spent up to now is 1423.0 secs Computing kpt #: 207 total cpu time spent up to now is 1428.7 secs Computing kpt #: 208 total cpu time spent up to now is 1434.3 secs Computing kpt #: 209 total cpu time spent up to now is 1440.0 secs Computing kpt #: 210 total cpu time spent up to now is 1445.9 secs Computing kpt #: 211 total cpu time spent up to now is 1451.9 secs Computing kpt #: 212 total cpu time spent up to now is 1458.0 secs Computing kpt #: 213 total cpu time spent up to now is 1464.1 secs Computing kpt #: 214 total cpu time spent up to now is 1470.1 secs Computing kpt #: 215 total cpu time spent up to now is 1476.3 secs Computing kpt #: 216 total cpu time spent up to now is 1482.4 secs Computing kpt #: 217 total cpu time spent up to now is 1488.6 secs Computing kpt #: 218 total cpu time spent up to now is 1494.8 secs Computing kpt #: 219 total cpu time spent up to now is 1501.3 secs Computing kpt #: 220 total cpu time spent up to now is 1507.5 secs Computing kpt #: 221 total cpu time spent up to now is 1513.9 secs Computing kpt #: 222 total cpu time spent up to now is 1520.3 secs Computing kpt #: 223 total cpu time spent up to now is 1526.7 secs Computing kpt #: 224 total cpu time spent up to now is 1533.8 secs Computing kpt #: 225 total cpu time spent up to now is 1540.4 secs Computing kpt #: 226 total cpu time spent up to now is 1546.6 secs Computing kpt #: 227 total cpu time spent up to now is 1552.9 secs Computing kpt #: 228 total cpu time spent up to now is 1559.1 secs Computing kpt #: 229 total cpu time spent up to now is 1565.2 secs Computing kpt #: 230 total cpu time spent up to now is 1571.4 secs Computing kpt #: 231 total cpu time spent up to now is 1577.5 secs Computing kpt #: 232 total cpu time spent up to now is 1583.7 secs Computing kpt #: 233 total cpu time spent up to now is 1589.9 secs Computing kpt #: 234 total cpu time spent up to now is 1595.9 secs Computing kpt #: 235 total cpu time spent up to now is 1602.0 secs Computing kpt #: 236 total cpu time spent up to now is 1608.1 secs Computing kpt #: 237 total cpu time spent up to now is 1614.2 secs Computing kpt #: 238 total cpu time spent up to now is 1620.5 secs Computing kpt #: 239 total cpu time spent up to now is 1626.9 secs Computing kpt #: 240 total cpu time spent up to now is 1633.2 secs Computing kpt #: 241 total cpu time spent up to now is 1639.5 secs Computing kpt #: 242 total cpu time spent up to now is 1645.6 secs Computing kpt #: 243 total cpu time spent up to now is 1651.8 secs Computing kpt #: 244 total cpu time spent up to now is 1658.0 secs Computing kpt #: 245 total cpu time spent up to now is 1664.2 secs Computing kpt #: 246 total cpu time spent up to now is 1670.5 secs Computing kpt #: 247 total cpu time spent up to now is 1676.8 secs Computing kpt #: 248 total cpu time spent up to now is 1683.2 secs Computing kpt #: 249 total cpu time spent up to now is 1689.5 secs Computing kpt #: 250 total cpu time spent up to now is 1695.9 secs Computing kpt #: 251 total cpu time spent up to now is 1702.3 secs Computing kpt #: 252 total cpu time spent up to now is 1708.5 secs Computing kpt #: 253 total cpu time spent up to now is 1714.7 secs Computing kpt #: 254 total cpu time spent up to now is 1720.9 secs Computing kpt #: 255 total cpu time spent up to now is 1726.9 secs Computing kpt #: 256 total cpu time spent up to now is 1733.1 secs Computing kpt #: 257 total cpu time spent up to now is 1738.9 secs Computing kpt #: 258 total cpu time spent up to now is 1744.8 secs Computing kpt #: 259 total cpu time spent up to now is 1750.7 secs Computing kpt #: 260 total cpu time spent up to now is 1756.5 secs Computing kpt #: 261 total cpu time spent up to now is 1762.4 secs Computing kpt #: 262 total cpu time spent up to now is 1768.2 secs Computing kpt #: 263 total cpu time spent up to now is 1774.1 secs Computing kpt #: 264 total cpu time spent up to now is 1779.9 secs Computing kpt #: 265 total cpu time spent up to now is 1785.9 secs Computing kpt #: 266 total cpu time spent up to now is 1791.8 secs Computing kpt #: 267 total cpu time spent up to now is 1797.7 secs Computing kpt #: 268 total cpu time spent up to now is 1803.6 secs Computing kpt #: 269 total cpu time spent up to now is 1809.4 secs Computing kpt #: 270 total cpu time spent up to now is 1815.2 secs Computing kpt #: 271 total cpu time spent up to now is 1820.9 secs ethr = 2.78E-11, avg # of iterations = 42.2 total cpu time spent up to now is 1821.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 15195 PWs) bands (ev): -93.6997 -93.6997 -93.6996 -93.6996 -6.0166 -6.0166 -2.9750 -2.9750 -2.9016 -2.9016 -2.8996 -2.8996 -2.0185 -2.0185 -0.3065 -0.3065 1.3732 1.3732 2.0001 2.0001 2.3308 2.3308 2.3816 2.3816 2.4421 2.4421 3.2798 3.2798 3.5415 3.5415 6.0468 6.0468 6.6332 6.6332 6.6484 6.6484 7.1391 7.1391 7.1513 7.1513 8.5590 8.5590 8.6407 8.6407 k = 0.0000 0.0000 0.0216 ( 15169 PWs) bands (ev): -93.6997 -93.6997 -93.6996 -93.6996 -6.0154 -6.0154 -2.9751 -2.9748 -2.9054 -2.9049 -2.9027 -2.9024 -2.0150 -2.0147 -0.3078 -0.3021 1.3694 1.3767 1.9926 1.9947 2.3076 2.3179 2.3856 2.3937 2.4630 2.4708 3.2683 3.2865 3.5387 3.5388 6.0389 6.0401 6.6210 6.6251 6.6394 6.6415 7.1394 7.1454 7.1582 7.1643 8.5613 8.5624 8.6423 8.6578 k = 0.0000 0.0000 0.0433 ( 15157 PWs) bands (ev): -93.6997 -93.6997 -93.6996 -93.6996 -6.0119 -6.0118 -2.9752 -2.9747 -2.9176 -2.9159 -2.9101 -2.9100 -2.0044 -2.0038 -0.3059 -0.2948 1.3654 1.3798 1.9753 1.9784 2.2700 2.2837 2.4094 2.4250 2.5123 2.5214 3.2506 3.2887 3.5306 3.5322 6.0171 6.0174 6.5814 6.5879 6.6260 6.6276 7.1455 7.1487 7.1855 7.2063 8.5642 8.5743 8.6568 8.6846 k = 0.0000 0.0000 0.0649 ( 15149 PWs) bands (ev): -93.6997 -93.6997 -93.6996 -93.6996 -6.0061 -6.0059 -2.9765 -2.9757 -2.9361 -2.9335 -2.9220 -2.9219 -1.9873 -1.9865 -0.3013 -0.2847 1.3608 1.3818 1.9533 1.9569 2.2325 2.2488 2.4485 2.4687 2.5706 2.5784 3.2252 3.2856 3.5193 3.5256 5.9764 5.9813 6.5216 6.5226 6.6077 6.6115 7.1520 7.1533 7.2380 7.2717 8.5645 8.5917 8.6796 8.7007 k = 0.0000 0.0000 0.0865 ( 15143 PWs) bands (ev): -93.6997 -93.6997 -93.6996 -93.6996 -5.9979 -5.9977 -2.9836 -2.9832 -2.9542 -2.9515 -2.9382 -2.9380 -1.9647 -1.9640 -0.2944 -0.2725 1.3548 1.3815 1.9314 1.9359 2.1993 2.2194 2.4971 2.5183 2.6331 2.6371 3.1919 3.2760 3.5093 3.5224 5.9149 5.9311 6.4342 6.4534 6.5843 6.5923 7.1595 7.1600 7.3132 7.3582 8.5652 8.6057 8.7038 8.7103 k = 0.0000 0.0000 0.1081 ( 15143 PWs) bands (ev): -93.6997 -93.6997 -93.6996 -93.6996 -5.9875 -5.9872 -3.0079 -3.0065 -2.9604 -2.9592 -2.9584 -2.9582 -1.9376 -1.9373 -0.2857 -0.2588 1.3469 1.3776 1.9128 1.9201 2.1723 2.1979 2.5504 2.5680 2.6943 2.6977 3.1531 3.2600 3.5051 3.5251 5.8321 5.8657 6.3327 6.3790 6.5575 6.5707 7.1686 7.1687 7.4087 7.4637 8.5668 8.6151 8.7194 8.7246 k = 0.0000 0.0000 0.1298 ( 15137 PWs) bands (ev): -93.6997 -93.6997 -93.6996 -93.6996 -5.9746 -5.9743 -3.0432 -3.0408 -2.9824 -2.9822 -2.9601 -2.9597 -1.9074 -1.9073 -0.2759 -0.2446 1.3364 1.3690 1.8997 1.9128 2.1525 2.1857 2.6039 2.6105 2.7472 2.7630 3.1158 3.2420 3.5092 3.5346 5.7293 5.7844 6.2230 6.3018 6.5292 6.5478 7.1792 7.1796 7.5221 7.5860 8.5689 8.6210 8.7298 8.7427 k = 0.0000 0.0000 0.1514 ( 15141 PWs) bands (ev): -93.6997 -93.6997 -93.6996 -93.6996 -5.9595 -5.9591 -3.0834 -3.0805 -3.0095 -3.0094 -2.9583 -2.9583 -1.8755 -1.8745 -0.2660 -0.2305 1.3231 1.3551 1.8935 1.9158 2.1408 2.1839 2.6354 2.6507 2.7937 2.8280 3.0916 3.2307 3.5218 3.5509 5.6096 5.6874 6.1097 6.2214 6.5009 6.5243 7.1918 7.1923 7.6513 7.7231 8.5709 8.6244 8.7424 8.7600 k = 0.0000 0.0000 0.1730 ( 15143 PWs) bands (ev): -93.6997 -93.6997 -93.6996 -93.6996 -5.9421 -5.9416 -3.1267 -3.1235 -3.0395 -3.0394 -2.9562 -2.9560 -1.8423 -1.8403 -0.2566 -0.2176 1.3070 1.3359 1.8951 1.9295 2.1378 2.1926 2.6317 2.6789 2.8373 2.8920 3.0933 3.2362 3.5420 3.5736 5.4769 5.5755 5.9957 6.1369 6.4734 6.5005 7.2062 7.2069 7.7939 7.8729 8.5724 8.6260 8.7573 8.7776 k = 0.0000 0.0000 0.1947 ( 15139 PWs) bands (ev): -93.6997 -93.6997 -93.6996 -93.6996 -5.9224 -5.9218 -3.1722 -3.1689 -3.0719 -3.0718 -2.9541 -2.9536 -1.8085 -1.8052 -0.2486 -0.2068 1.2885 1.3123 1.9053 1.9532 2.1438 2.2114 2.5971 2.6774 2.8863 2.9550 3.1246 3.2636 3.5690 3.6024 5.3349 5.4511 5.8824 6.0475 6.4469 6.4764 7.2224 7.2232 7.9475 8.0333 8.5730 8.6260 8.7746 8.7962 k = 0.0000 0.0000 0.2163 ( 15147 PWs) bands (ev): -93.6997 -93.6997 -93.6996 -93.6996 -5.9004 -5.8997 -3.2191 -3.2157 -3.1062 -3.1062 -2.9521 -2.9514 -1.7746 -1.7699 -0.2426 -0.1987 1.2682 1.2855 1.9245 1.9856 2.1587 2.2383 2.5414 2.6492 2.9426 3.0172 3.1781 3.3103 3.6021 3.6368 5.1866 5.3170 5.7696 5.9532 6.4212 6.4521 7.2405 7.2413 8.1098 8.2024 8.5726 8.6250 8.7945 8.8159 k = 0.0000 0.0000 0.2379 ( 15135 PWs) bands (ev): -93.6997 -93.6997 -93.6996 -93.6996 -5.8762 -5.8755 -3.2670 -3.2636 -3.1421 -3.1420 -2.9505 -2.9497 -1.7410 -1.7348 -0.2392 -0.1940 1.2469 1.2568 1.9532 2.0245 2.1817 2.2674 2.4797 2.6068 3.0030 3.0784 3.2448 3.3704 3.6406 3.6763 5.0344 5.1763 5.6569 5.8541 6.3959 6.4274 7.2603 7.2611 8.2775 8.3771 8.5714 8.6238 8.8175 8.8370 k = 0.0000 0.0000 0.2595 ( 15148 PWs) bands (ev): -93.6997 -93.6997 -93.6996 -93.6996 -5.8498 -5.8489 -3.3154 -3.3120 -3.1791 -3.1790 -2.9496 -2.9488 -1.7080 -1.7001 -0.2389 -0.1930 1.2253 1.2273 1.9916 2.0669 2.2105 2.2775 2.4397 2.5631 3.0647 3.1382 3.3189 3.4389 3.6841 3.7201 4.8802 5.0319 5.5439 5.7509 6.3705 6.4020 7.2819 7.2825 8.4435 8.5454 8.5728 8.6323 8.8449 8.8598 k = 0.0000 0.0000 0.2812 ( 15152 PWs) bands (ev): -93.6997 -93.6997 -93.6996 -93.6996 -5.8212 -5.8202 -3.3640 -3.3607 -3.2169 -3.2167 -2.9497 -2.9488 -1.6759 -1.6662 -0.2418 -0.1961 1.1978 1.2041 2.0396 2.1062 2.2372 2.2428 2.4563 2.5322 3.1259 3.1960 3.3975 3.5123 3.7318 3.7668 4.7259 4.8865 5.4304 5.6443 6.3447 6.3758 7.3050 7.3056 8.5429 8.5983 8.6339 8.7550 8.8814 8.8859 k = 0.0000 0.0000 0.3028 ( 15158 PWs) bands (ev): -93.6997 -93.6997 -93.6996 -93.6996 -5.7904 -5.7893 -3.4125 -3.4093 -3.2552 -3.2548 -2.9510 -2.9500 -1.6448 -1.6332 -0.2481 -0.2032 1.1689 1.1838 2.0962 2.1286 2.1678 2.2806 2.5111 2.5284 3.1859 3.2516 3.4787 3.5887 3.7823 3.8144 4.5734 4.7434 5.3164 5.5350 6.3181 6.3485 7.3298 7.3301 8.5449 8.5947 8.7639 8.8886 8.9446 8.9562 k = 0.0000 0.0000 0.3244 ( 15142 PWs) bands (ev): -93.6997 -93.6997 -93.6996 -93.6996 -5.7575 -5.7563 -3.4608 -3.4575 -3.2935 -3.2930 -2.9538 -2.9528 -1.6147 -1.6012 -0.2577 -0.2142 1.1410 1.1647 2.0866 2.1205 2.1667 2.3326 2.5581 2.5824 3.2442 3.3051 3.5612 3.6664 3.8327 3.8591 4.4259 4.6066 5.2022 5.4237 6.2904 6.3200 7.3561 7.3561 8.5372 8.5859 8.8438 8.9233 9.0592 9.1216 k = 0.0000 0.0000 0.3461 ( 15128 PWs) bands (ev): -93.6997 -93.6997 -93.6996 -93.6996 -5.7225 -5.7212 -3.5085 -3.5053 -3.3316 -3.3310 -2.9584 -2.9574 -1.5855 -1.5702 -0.2705 -0.2288 1.1144 1.1473 2.0102 2.0878 2.2414 2.4001 2.6149 2.6636 3.3007 3.3565 3.6444 3.7442 3.8757 3.8938 4.2911 4.4834 5.0884 5.3112 6.2615 6.2903 7.3833 7.3838 8.5264 8.5743 8.8868 8.9489 9.1914 9.2469 k = 0.0000 0.0000 0.3677 ( 15138 PWs) bands (ev): -93.6997 -93.6997 -93.6996 -93.6996 -5.6854 -5.6840 -3.5556 -3.5524 -3.3692 -3.3686 -2.9651 -2.9641 -1.5572 -1.5402 -0.2862 -0.2466 1.0893 1.1314 1.9364 2.0440 2.3249 2.4792 2.6898 2.7524 3.3554 3.4056 3.7272 3.8186 3.8916 3.9049 4.1911 4.3872 4.9757 5.1983 6.2312 6.2591 7.4118 7.4128 8.5131 8.5605 8.9177 8.9729 9.2727 9.2760 k = 0.0000 0.0000 0.3893 ( 15134 PWs) bands (ev): -93.6997 -93.6997 -93.6996 -93.6996 -5.6464 -5.6448 -3.6019 -3.5988 -3.4061 -3.4055 -2.9742 -2.9732 -1.5297 -1.5111 -0.3046 -0.2673 1.0655 1.1173 1.8676 1.9977 2.4157 2.5666 2.7770 2.8475 3.4082 3.4517 3.8080 3.8207 3.8766 3.9112 4.1633 4.3349 4.8660 5.0861 6.1993 6.2264 7.4413 7.4430 8.4974 8.5443 8.9434 8.9952 9.2893 9.3125 k = 0.0000 0.0000 0.4110 ( 15144 PWs) bands (ev): -93.6997 -93.6997 -93.6996 -93.6996 -5.6054 -5.6036 -3.6474 -3.6443 -3.4421 -3.4414 -2.9858 -2.9850 -1.5028 -1.4827 -0.3252 -0.2904 1.0431 1.1045 1.8054 1.9538 2.5125 2.6604 2.8733 2.9480 3.4584 3.4921 3.7153 3.8016 3.8938 3.9834 4.1935 4.3262 4.7627 4.9757 6.1660 6.1923 7.4716 7.4741 8.4792 8.5258 8.9654 9.0153 9.2970 9.3438 k = 0.0000 0.0000 0.4326 ( 15138 PWs) bands (ev): -93.6997 -93.6997 -93.6996 -93.6996 -5.5625 -5.5605 -3.6919 -3.6888 -3.4769 -3.4762 -3.0004 -2.9997 -1.4763 -1.4550 -0.3478 -0.3155 1.0220 1.0930 1.7510 1.9149 2.6138 2.7584 2.9765 3.0531 3.4984 3.5154 3.5976 3.7212 3.9718 4.0574 4.2440 4.3363 4.6742 4.8693 6.1311 6.1567 7.5025 7.5061 8.4585 8.5048 8.9836 9.0319 9.3017 9.3683 k = 0.0000 0.0000 0.4542 ( 15132 PWs) bands (ev): -93.6997 -93.6997 -93.6996 -93.6996 -5.5178 -5.5156 -3.7355 -3.7323 -3.5104 -3.5097 -3.0179 -3.0175 -1.4500 -1.4277 -0.3720 -0.3422 1.0022 1.0823 1.7054 1.8825 2.7171 2.8573 3.0852 3.1617 3.4390 3.4864 3.5770 3.6819 4.0475 4.1291 4.2970 4.3318 4.6194 4.7710 6.0947 6.1196 7.5339 7.5386 8.4349 8.4812 8.9972 9.0438 9.3052 9.3850 k = 0.0000 0.0000 0.4758 ( 15106 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -5.4713 -5.4689 -3.7781 -3.7748 -3.5424 -3.5418 -3.0387 -3.0384 -1.4237 -1.4007 -0.3975 -0.3701 0.9838 1.0720 1.6696 1.8577 2.8170 2.9473 3.1964 3.2705 3.3293 3.4060 3.6203 3.6984 4.1162 4.1963 4.2914 4.3407 4.6155 4.6900 6.0568 6.0811 7.5652 7.5714 8.4084 8.4549 9.0052 9.0495 9.3090 9.3942 k = 0.0000 0.0000 0.4975 ( 15110 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -5.4231 -5.4206 -3.8196 -3.8162 -3.5727 -3.5721 -3.0627 -3.0626 -1.3973 -1.3738 -0.4241 -0.3990 0.9670 1.0619 1.6440 1.8410 2.8991 2.9910 3.2484 3.3049 3.3283 3.4025 3.6668 3.7326 4.1495 4.2522 4.2543 4.3621 4.6446 4.6492 6.0175 6.0413 7.5961 7.6040 8.3786 8.4257 9.0066 9.0477 9.3143 9.3991 k = 0.0000 0.0000 0.5191 ( 15096 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -5.3734 -5.3706 -3.8601 -3.8566 -3.6012 -3.6007 -3.0901 -3.0900 -1.3706 -1.3469 -0.4514 -0.4285 0.9519 1.0521 1.6291 1.8326 2.9254 2.9333 3.2799 3.2893 3.4452 3.5129 3.7124 3.7658 4.0989 4.2670 4.2929 4.3773 4.6490 4.6994 5.9770 6.0004 7.6260 7.6361 8.3453 8.3935 9.0006 9.0376 9.3221 9.4046 k = 0.0000 0.0000 0.5407 ( 15092 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -5.3222 -5.3192 -3.8997 -3.8961 -3.6277 -3.6273 -3.1207 -3.1204 -1.3434 -1.3198 -0.4793 -0.4584 0.9389 1.0429 1.6247 1.8325 2.8225 2.8703 3.3323 3.3787 3.5692 3.6274 3.7554 3.7817 4.0412 4.2248 4.3541 4.4208 4.6876 4.7560 5.9355 5.9586 7.6544 7.6669 8.3081 8.3579 8.9870 9.0189 9.3329 9.4132 k = 0.0000 0.0000 0.5624 ( 15088 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -5.2696 -5.2663 -3.9384 -3.9346 -3.6522 -3.6518 -3.1544 -3.1539 -1.3157 -1.2925 -0.5075 -0.4885 0.9285 1.0348 1.6304 1.8404 2.6995 2.7714 3.4288 3.4724 3.6957 3.7207 3.7752 3.7954 4.0270 4.1717 4.4159 4.4725 4.7405 4.8146 5.8931 5.9160 7.6803 7.6957 8.2667 8.3187 8.9661 8.9918 9.3468 9.4258 k = 0.0000 0.0000 0.5840 ( 15094 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -5.2157 -5.2122 -3.9762 -3.9723 -3.6744 -3.6741 -3.1907 -3.1901 -1.2875 -1.2648 -0.5360 -0.5187 0.9212 1.0287 1.6454 1.8561 2.5748 2.6583 3.5324 3.5447 3.6818 3.8219 3.8388 3.8623 4.0618 4.1369 4.4754 4.5228 4.7986 4.8732 5.8501 5.8730 7.7026 7.7214 8.2207 8.2758 8.9389 8.9575 9.3637 9.4421 k = 0.0000 0.0000 0.6056 ( 15102 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -5.1608 -5.1570 -4.0135 -4.0092 -3.6942 -3.6940 -3.2295 -3.2288 -1.2587 -1.2369 -0.5645 -0.5489 0.9175 1.0252 1.6691 1.8791 2.4514 2.5416 3.5483 3.5679 3.6946 3.8941 3.9529 3.9609 4.1282 4.1356 4.5317 4.5692 4.8579 4.9304 5.8069 5.8299 7.7200 7.7428 8.1699 8.2287 8.9069 8.9175 9.3827 9.4606 k = 0.0000 0.0000 0.6272 ( 15124 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -5.1049 -5.1008 -4.0502 -4.0457 -3.7114 -3.7114 -3.2702 -3.2696 -1.2295 -1.2086 -0.5931 -0.5789 0.9178 1.0254 1.7005 1.9090 2.3306 2.4249 3.4612 3.5371 3.8009 3.9721 4.0495 4.0789 4.1707 4.2158 4.5850 4.6110 4.9168 4.9858 5.7636 5.7871 7.7309 7.7581 8.1140 8.1774 8.8723 8.8738 9.4020 9.4751 k = 0.0000 0.0000 0.6489 ( 15126 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -5.0482 -5.0439 -4.0865 -4.0818 -3.7262 -3.7260 -3.3125 -3.3119 -1.1998 -1.1801 -0.6215 -0.6086 0.9227 1.0298 1.7390 1.9451 2.2133 2.3101 3.3613 3.4725 3.9112 4.0521 4.1323 4.1983 4.2423 4.3151 4.6357 4.6479 4.9743 5.0390 5.7207 5.7450 7.7335 7.7654 8.0528 8.1217 8.8296 8.8376 9.4143 9.4596 k = 0.0000 0.0000 0.6705 ( 15138 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.9910 -4.9864 -4.1228 -4.1178 -3.7381 -3.7378 -3.3558 -3.3552 -1.1699 -1.1513 -0.6499 -0.6381 0.9326 1.0390 1.7837 1.9862 2.1006 2.1982 3.2589 3.3914 4.0123 4.1221 4.2164 4.3070 4.3462 4.4165 4.6805 4.6855 5.0301 5.0897 5.6787 5.7041 7.7263 7.7629 7.9868 8.0616 8.7885 8.8059 9.3971 9.4112 k = 0.0000 0.0000 0.6921 ( 15142 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.9335 -4.9285 -4.1593 -4.1540 -3.7470 -3.7465 -3.3994 -3.3990 -1.1398 -1.1224 -0.6782 -0.6673 0.9477 1.0536 1.8343 1.9835 2.0413 2.0897 3.1564 3.3024 4.1000 4.1831 4.3046 4.4147 4.4575 4.5129 4.7107 4.7369 5.0839 5.1380 5.6379 5.6649 7.7082 7.7492 7.9164 7.9975 8.7543 8.7800 9.3478 9.3516 k = 0.0000 0.0000 0.7138 ( 15146 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.8758 -4.8705 -4.1962 -4.1907 -3.7528 -3.7521 -3.4429 -3.4426 -1.1095 -1.0935 -0.7063 -0.6962 0.9685 1.0739 1.8814 1.8900 1.9851 2.0909 3.0548 3.2100 4.1749 4.2393 4.3918 4.5194 4.5603 4.5999 4.7442 4.7933 5.1355 5.1840 5.5988 5.6280 7.6792 7.7244 7.8429 7.9299 8.7303 8.7625 9.2863 9.2877 k = 0.0000 0.0000 0.7354 ( 15140 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.8183 -4.8128 -4.2340 -4.2281 -3.7552 -3.7544 -3.4854 -3.4854 -1.0793 -1.0645 -0.7343 -0.7248 0.9951 1.1001 1.7808 1.8847 1.9507 2.1484 2.9546 3.1165 4.2403 4.2928 4.4677 4.6011 4.6541 4.6784 4.7924 4.8550 5.1847 5.2279 5.5619 5.5939 7.6410 7.6901 7.7680 7.8602 8.7185 8.7548 9.2207 9.2228 k = 0.0000 0.0000 0.7570 ( 15138 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.7613 -4.7555 -4.2729 -4.2668 -3.7540 -3.7531 -3.5266 -3.5264 -1.0493 -1.0356 -0.7622 -0.7532 1.0277 1.1325 1.6847 1.7889 2.0158 2.2107 2.8561 3.0231 4.2990 4.3444 4.5222 4.6389 4.7485 4.7542 4.8594 4.9177 5.2313 5.2698 5.5277 5.5632 7.5969 7.6502 7.6941 7.7902 8.7192 8.7573 9.1545 9.1591 k = 0.0000 0.0000 0.7786 ( 15132 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.7050 -4.6989 -4.3132 -4.3069 -3.7492 -3.7482 -3.5657 -3.5652 -1.0194 -1.0069 -0.7902 -0.7814 1.0664 1.1711 1.5935 1.6980 2.0850 2.2774 2.7597 2.9307 4.3524 4.3940 4.5526 4.6472 4.8297 4.8372 4.9304 4.9739 5.2747 5.3099 5.4967 5.5359 7.5515 7.6099 7.6244 7.7225 8.7314 8.7695 9.0897 9.0980 k = 0.0000 0.0000 0.8003 ( 15132 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.6499 -4.6435 -4.3553 -4.3488 -3.7405 -3.7394 -3.6020 -3.6013 -0.9898 -0.9783 -0.8181 -0.8095 1.1113 1.2160 1.5075 1.6122 2.1581 2.3480 2.6654 2.8399 4.4012 4.4414 4.5630 4.6397 4.9007 4.9142 4.9912 5.0172 5.3143 5.3479 5.4694 5.5117 7.5102 7.5625 7.5746 7.6607 8.7537 8.7901 9.0277 9.0403 k = 0.0000 0.0000 0.8219 ( 15148 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.5961 -4.5895 -4.3993 -4.3927 -3.7277 -3.7265 -3.6350 -3.6341 -0.9605 -0.9499 -0.8462 -0.8375 1.1624 1.2670 1.4270 1.5317 2.2348 2.4223 2.5737 2.7511 4.4453 4.4860 4.5582 4.6218 4.9618 4.9767 5.0335 5.0435 5.3491 5.3832 5.4457 5.4896 7.4783 7.5122 7.5496 7.6083 8.7844 8.8182 8.9694 8.9866 k = 0.0000 0.0000 0.8435 ( 15158 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.5439 -4.5373 -4.4454 -4.4387 -3.7107 -3.7096 -3.6643 -3.6632 -0.9316 -0.9216 -0.8744 -0.8655 1.2196 1.3243 1.3520 1.4568 2.3149 2.4846 2.5000 2.6647 4.4841 4.5272 4.5420 4.5961 5.0087 5.0223 5.0508 5.0529 5.3785 5.4151 5.4244 5.4674 7.4603 7.4770 7.5390 7.5689 8.8222 8.8525 8.9154 8.9372 k = 0.0000 0.0000 0.8652 ( 15162 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.4937 -4.4937 -4.4869 -4.4869 -3.6896 -3.6896 -3.6884 -3.6884 -0.9029 -0.9029 -0.8935 -0.8935 1.2828 1.2828 1.3876 1.3876 2.3982 2.3982 2.5809 2.5809 4.5167 4.5167 4.5642 4.5642 5.0389 5.0389 5.0485 5.0485 5.4030 5.4030 5.4431 5.4431 7.4595 7.4595 7.5453 7.5453 8.8661 8.8661 8.8924 8.8924 k = 0.0000 0.0000 0.8652 ( 15162 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.4937 -4.4937 -4.4869 -4.4869 -3.6896 -3.6896 -3.6884 -3.6884 -0.9029 -0.9029 -0.8935 -0.8935 1.2828 1.2828 1.3876 1.3876 2.3982 2.3982 2.5809 2.5809 4.5167 4.5167 4.5642 4.5642 5.0389 5.0389 5.0485 5.0485 5.4030 5.4030 5.4431 5.4431 7.4595 7.4595 7.5453 7.5453 8.8661 8.8661 8.8924 8.8924 k =-0.0125 0.0177 0.8652 ( 15154 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.4938 -4.4938 -4.4871 -4.4871 -3.6906 -3.6906 -3.6895 -3.6895 -0.8992 -0.8992 -0.8897 -0.8897 1.2833 1.2833 1.3879 1.3879 2.3991 2.3991 2.5818 2.5818 4.5108 4.5108 4.5584 4.5584 5.0355 5.0355 5.0474 5.0474 5.3989 5.3989 5.4393 5.4394 7.4655 7.4655 7.5516 7.5516 8.8727 8.8727 8.9001 8.9001 k =-0.0251 0.0354 0.8652 ( 15126 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.4945 -4.4945 -4.4878 -4.4878 -3.6937 -3.6937 -3.6926 -3.6926 -0.8881 -0.8881 -0.8783 -0.8783 1.2848 1.2848 1.3889 1.3889 2.4018 2.4018 2.5845 2.5845 4.4930 4.4930 4.5411 4.5411 5.0261 5.0261 5.0430 5.0430 5.3871 5.3871 5.4284 5.4284 7.4833 7.4833 7.5701 7.5701 8.8923 8.8923 8.9226 8.9226 k =-0.0376 0.0531 0.8652 ( 15144 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.4956 -4.4956 -4.4889 -4.4889 -3.6986 -3.6986 -3.6974 -3.6974 -0.8700 -0.8700 -0.8597 -0.8597 1.2873 1.2873 1.3905 1.3905 2.4063 2.4063 2.5891 2.5891 4.4633 4.4633 4.5130 4.5130 5.0121 5.0121 5.0349 5.0349 5.3684 5.3684 5.4108 5.4108 7.5121 7.5121 7.5997 7.5997 8.9241 8.9241 8.9584 8.9584 k =-0.0502 0.0708 0.8652 ( 15140 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.4973 -4.4973 -4.4907 -4.4907 -3.7050 -3.7050 -3.7037 -3.7037 -0.8451 -0.8451 -0.8340 -0.8340 1.2908 1.2908 1.3927 1.3927 2.4125 2.4125 2.5954 2.5954 4.4219 4.4219 4.4750 4.4750 4.9943 4.9943 5.0232 5.0232 5.3438 5.3438 5.3876 5.3876 7.5503 7.5503 7.6389 7.6389 8.9664 8.9664 9.0049 9.0049 k =-0.0627 0.0885 0.8652 ( 15136 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.4999 -4.4999 -4.4933 -4.4933 -3.7123 -3.7123 -3.7110 -3.7110 -0.8139 -0.8139 -0.8020 -0.8020 1.2954 1.2954 1.3957 1.3957 2.4205 2.4205 2.6035 2.6035 4.3694 4.3694 4.4282 4.4282 4.9730 4.9730 5.0081 5.0081 5.3144 5.3144 5.3600 5.3600 7.5965 7.5965 7.6860 7.6860 9.0165 9.0165 9.0585 9.0585 k =-0.0752 0.1062 0.8652 ( 15138 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.5035 -4.5035 -4.4971 -4.4971 -3.7200 -3.7200 -3.7187 -3.7187 -0.7770 -0.7770 -0.7640 -0.7640 1.3012 1.3012 1.3993 1.3993 2.4302 2.4302 2.6134 2.6134 4.3071 4.3071 4.3739 4.3739 4.9488 4.9488 4.9903 4.9903 5.2813 5.2813 5.3293 5.3293 7.6488 7.6488 7.7394 7.7394 9.0700 9.0700 9.1142 9.1142 k =-0.0878 0.1239 0.8652 ( 15146 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.5084 -4.5084 -4.5021 -4.5021 -3.7274 -3.7274 -3.7261 -3.7261 -0.7351 -0.7351 -0.7209 -0.7209 1.3082 1.3082 1.4038 1.4038 2.4416 2.4416 2.6249 2.6249 4.2365 4.2365 4.3131 4.3132 4.9219 4.9219 4.9701 4.9701 5.2455 5.2455 5.2965 5.2965 7.7053 7.7053 7.7971 7.7971 9.1205 9.1205 9.1653 9.1653 k =-0.1003 0.1416 0.8652 ( 15130 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.5149 -4.5149 -4.5087 -4.5087 -3.7340 -3.7340 -3.7326 -3.7326 -0.6890 -0.6890 -0.6735 -0.6735 1.3166 1.3166 1.4091 1.4091 2.4546 2.4546 2.6381 2.6381 4.1596 4.1596 4.2472 4.2472 4.8926 4.8926 4.9479 4.9479 5.2077 5.2077 5.2625 5.2625 7.7642 7.7642 7.8576 7.8576 9.1590 9.1590 9.2037 9.2037 k =-0.1128 0.1593 0.8652 ( 15130 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.5232 -4.5232 -4.5172 -4.5172 -3.7389 -3.7389 -3.7376 -3.7376 -0.6397 -0.6397 -0.6227 -0.6227 1.3265 1.3265 1.4154 1.4154 2.4692 2.4692 2.6530 2.6530 4.0783 4.0783 4.1772 4.1772 4.8612 4.8612 4.9242 4.9242 5.1688 5.1688 5.2277 5.2277 7.8236 7.8236 7.9190 7.9190 9.1753 9.1753 9.2216 9.2216 k =-0.1254 0.1770 0.8652 ( 15150 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.5335 -4.5335 -4.5278 -4.5278 -3.7418 -3.7418 -3.7404 -3.7404 -0.5880 -0.5880 -0.5694 -0.5693 1.3383 1.3383 1.4229 1.4229 2.4854 2.4854 2.6693 2.6693 3.9944 3.9944 4.1048 4.1048 4.8279 4.8279 4.8990 4.8990 5.1294 5.1294 5.1925 5.1925 7.8819 7.8819 7.9796 7.9796 9.1626 9.1626 9.2142 9.2142 k =-0.1254 0.1770 0.8652 ( 15150 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.5335 -4.5335 -4.5278 -4.5278 -3.7418 -3.7418 -3.7404 -3.7404 -0.5880 -0.5880 -0.5694 -0.5693 1.3383 1.3383 1.4229 1.4229 2.4854 2.4854 2.6693 2.6693 3.9944 3.9944 4.1048 4.1048 4.8279 4.8279 4.8990 4.8990 5.1294 5.1294 5.1925 5.1925 7.8819 7.8819 7.9796 7.9796 9.1626 9.1626 9.2142 9.2142 k =-0.1343 0.1896 0.8497 ( 15142 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.5651 -4.5595 -4.5202 -4.5149 -3.7694 -3.7685 -3.7125 -3.7117 -0.5783 -0.5577 -0.5230 -0.5036 1.3117 1.3861 1.3934 1.4693 2.4408 2.5560 2.6263 2.7388 3.9012 3.9647 4.0229 4.0787 4.7868 4.8034 4.8667 4.8825 5.1007 5.1067 5.1554 5.1857 7.9206 7.9291 8.0206 8.0282 9.1111 9.1605 9.1702 9.2168 k =-0.1432 0.2022 0.8343 ( 15137 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.5959 -4.5904 -4.5117 -4.5067 -3.7965 -3.7955 -3.6778 -3.6770 -0.5709 -0.5481 -0.4559 -0.4357 1.2923 1.3673 1.4388 1.5171 2.3991 2.5850 2.6288 2.8093 3.8060 3.9331 3.9378 4.0497 4.7306 4.7593 4.8234 4.8506 5.0782 5.0891 5.1293 5.1840 7.9606 7.9821 8.0677 8.0788 9.0383 9.1022 9.1576 9.2168 k =-0.1521 0.2148 0.8189 ( 15138 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.6257 -4.6202 -4.5074 -4.5028 -3.8227 -3.8216 -3.6380 -3.6370 -0.5666 -0.5412 -0.3870 -0.3659 1.2807 1.3501 1.4909 1.5660 2.3604 2.5478 2.7010 2.8802 3.7103 3.8503 3.9004 4.0177 4.6618 4.6981 4.7698 4.8010 5.0626 5.0763 5.1170 5.1859 7.9991 8.0394 8.1197 8.1287 8.9513 9.0168 9.1523 9.2152 k =-0.1611 0.2274 0.8034 ( 15132 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.6544 -4.6490 -4.5068 -4.5026 -3.8480 -3.8468 -3.5937 -3.5927 -0.5659 -0.5375 -0.3165 -0.2944 1.2772 1.3404 1.5441 1.6157 2.3249 2.5131 2.7739 2.9510 3.6153 3.7622 3.8659 3.9822 4.5835 4.6239 4.7080 4.7360 5.0528 5.0692 5.1141 5.1898 8.0323 8.0985 8.1724 8.1780 8.8591 8.9204 9.1464 9.2124 k =-0.1700 0.2400 0.7880 ( 15124 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.6819 -4.6766 -4.5092 -4.5053 -3.8721 -3.8709 -3.5459 -3.5447 -0.5690 -0.5374 -0.2449 -0.2216 1.2819 1.3384 1.5982 1.6660 2.2926 2.4814 2.8464 3.0206 3.5221 3.6744 3.8300 3.9428 4.4985 4.5406 4.6412 4.6603 5.0472 5.0668 5.1157 5.1949 8.0554 8.1538 8.2136 8.2355 8.7715 8.8220 9.1407 9.2093 k =-0.1789 0.2526 0.7726 ( 15129 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.7082 -4.7030 -4.5139 -4.5104 -3.8952 -3.8940 -3.4952 -3.4939 -0.5763 -0.5412 -0.1723 -0.1478 1.2950 1.3441 1.6528 1.7165 2.2636 2.4526 2.9179 3.0874 3.4325 3.5881 3.7928 3.8990 4.4086 4.4509 4.5710 4.5800 5.0441 5.0673 5.1193 5.2003 8.0615 8.1864 8.2565 8.2955 8.6989 8.7317 9.1359 9.2065 k =-0.1878 0.2652 0.7571 ( 15132 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.7331 -4.7280 -4.5203 -4.5172 -3.9171 -3.9158 -3.4425 -3.4411 -0.5876 -0.5490 -0.0992 -0.0735 1.3163 1.3575 1.7078 1.7670 2.2381 2.4269 2.9867 3.1473 3.3501 3.5043 3.7545 3.8501 4.3155 4.3570 4.4908 4.5085 5.0425 5.0693 5.1239 5.2058 8.0436 8.1755 8.3123 8.3559 8.6484 8.6614 9.1324 9.2050 k =-0.1967 0.2778 0.7417 ( 15132 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.7566 -4.7515 -4.5280 -4.5252 -3.9378 -3.9365 -3.3886 -3.3871 -0.6029 -0.5607 -0.0260 0.0011 1.3455 1.3784 1.7629 1.8172 2.2162 2.4044 3.0488 3.1845 3.2908 3.4251 3.7154 3.7960 4.2202 4.2611 4.4073 4.4448 5.0418 5.0720 5.1286 5.2111 7.9985 8.1254 8.3727 8.4154 8.6064 8.6314 9.1306 9.2050 k =-0.2057 0.2904 0.7263 ( 15130 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.7785 -4.7736 -4.5364 -4.5339 -3.9572 -3.9558 -3.3342 -3.3328 -0.6216 -0.5759 0.0468 0.0752 1.3819 1.4062 1.8177 1.8669 2.1980 2.3849 3.0836 3.1740 3.2889 3.3585 3.6757 3.7382 4.1235 4.1650 4.3271 4.3871 5.0414 5.0747 5.1333 5.2160 7.9301 8.0476 8.4328 8.4723 8.5796 8.6239 9.1301 9.2063 k =-0.2146 0.3030 0.7108 ( 15126 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.7990 -4.7941 -4.5452 -4.5429 -3.9752 -3.9738 -3.2800 -3.2787 -0.6433 -0.5941 0.1186 0.1485 1.4247 1.4405 1.8720 1.9156 2.1839 2.3687 3.0472 3.1787 3.2825 3.3410 3.6316 3.6842 4.0267 4.0713 4.2532 4.3363 5.0410 5.0772 5.1378 5.2207 7.8470 7.9543 8.4904 8.5222 8.5692 8.6216 9.1294 9.2065 k =-0.2235 0.3156 0.6954 ( 15120 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.8178 -4.8130 -4.5540 -4.5520 -3.9918 -3.9904 -3.2268 -3.2257 -0.6673 -0.6149 0.1887 0.2202 1.4716 1.4819 1.9254 1.9629 2.1742 2.3557 2.9823 3.1482 3.2956 3.3475 3.5722 3.6499 3.9317 3.9837 4.1878 4.2928 5.0407 5.0793 5.1419 5.2249 7.7570 7.8546 8.5402 8.5446 8.5907 8.6177 9.1267 9.2019 k =-0.2324 0.3282 0.6800 ( 15127 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.8349 -4.8303 -4.5626 -4.5609 -4.0070 -4.0055 -3.1753 -3.1744 -0.6928 -0.6374 0.2566 0.2895 1.5181 1.5327 1.9774 2.0081 2.1695 2.3459 2.9158 3.0890 3.3195 3.3463 3.5015 3.6297 3.8415 3.9100 4.1327 4.2564 5.0401 5.0810 5.1457 5.2288 7.6658 7.7540 8.5327 8.5916 8.6076 8.6367 9.1206 9.1902 k =-0.2413 0.3408 0.6645 ( 15133 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.8504 -4.8458 -4.5708 -4.5693 -4.0207 -4.0192 -3.1263 -3.1257 -0.7191 -0.6609 0.3213 0.3557 1.5647 1.5901 2.0273 2.0503 2.1710 2.3393 2.8528 3.0262 3.2938 3.3590 3.4363 3.6004 3.7618 3.8630 4.0891 4.2267 5.0395 5.0823 5.1491 5.2324 7.5773 7.6565 8.5195 8.5874 8.6413 8.6776 9.1115 9.1732 k =-0.2503 0.3534 0.6491 ( 15130 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.8641 -4.8596 -4.5784 -4.5771 -4.0328 -4.0313 -3.0804 -3.0802 -0.7452 -0.6845 0.3819 0.4177 1.6119 1.6509 2.0733 2.0884 2.1806 2.3358 2.7950 2.9653 3.2497 3.3169 3.4113 3.5470 3.7021 3.8473 4.0585 4.2030 5.0386 5.0831 5.1523 5.2357 7.4941 7.5644 8.5031 8.5670 8.6808 8.7144 9.1010 9.1545 k =-0.2592 0.3660 0.6337 ( 15136 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.8761 -4.8716 -4.5853 -4.5841 -4.0434 -4.0419 -3.0387 -3.0386 -0.7702 -0.7073 0.4375 0.4746 1.6583 1.7129 2.1085 2.1267 2.2001 2.3352 2.7438 2.9075 3.2008 3.2432 3.3875 3.4765 3.6739 3.8480 4.0426 4.1846 5.0377 5.0836 5.1550 5.2386 7.4185 7.4799 8.4850 8.5437 8.7150 8.7458 9.0910 9.1366 k =-0.2681 0.3786 0.6182 ( 15140 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.8862 -4.8818 -4.5912 -4.5903 -4.0524 -4.0509 -3.0020 -3.0015 -0.7932 -0.7285 0.4871 0.5254 1.7021 1.7742 2.1311 2.1666 2.2274 2.3373 2.7004 2.8535 3.1529 3.1683 3.3406 3.4004 3.6747 3.8497 4.0416 4.1707 5.0367 5.0837 5.1575 5.2413 7.3521 7.4045 8.4669 8.5199 8.7437 8.7715 9.0826 9.1208 k =-0.2770 0.3912 0.6028 ( 15145 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.8946 -4.8902 -4.5962 -4.5954 -4.0598 -4.0582 -2.9708 -2.9699 -0.8135 -0.7472 0.5295 0.5688 1.7414 1.8322 2.1489 2.2032 2.2570 2.3417 2.6662 2.8036 3.0952 3.1140 3.2836 3.3256 3.6894 3.8469 4.0520 4.1606 5.0358 5.0837 5.1595 5.2435 7.2964 7.3398 8.4501 8.4976 8.7669 8.7917 9.0764 9.1073 k =-0.2859 0.4038 0.5874 ( 15145 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.9011 -4.8968 -4.6001 -4.5995 -4.0656 -4.0640 -2.9457 -2.9445 -0.8302 -0.7626 0.5639 0.6039 1.7741 1.8838 2.1645 2.2342 2.2840 2.3477 2.6429 2.7582 3.0332 3.0827 3.2292 3.2569 3.7070 3.8409 4.0674 4.1534 5.0350 5.0836 5.1612 5.2454 7.2525 7.2870 8.4359 8.4784 8.7846 8.8066 9.0725 9.0963 k =-0.2948 0.4164 0.5719 ( 15147 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.9057 -4.9014 -4.6030 -4.6025 -4.0697 -4.0681 -2.9273 -2.9258 -0.8427 -0.7742 0.5891 0.6297 1.7986 1.9253 2.1778 2.2577 2.3050 2.3540 2.6316 2.7186 2.9835 3.0645 3.1849 3.1985 3.7222 3.8344 4.0824 4.1483 5.0343 5.0834 5.1624 5.2468 7.2214 7.2475 8.4252 8.4638 8.7971 8.8168 9.0708 9.0877 k =-0.3038 0.4289 0.5565 ( 15147 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.9085 -4.9043 -4.6047 -4.6043 -4.0722 -4.0706 -2.9161 -2.9145 -0.8504 -0.7813 0.6046 0.6455 1.8138 1.9524 2.1870 2.2724 2.3181 2.3589 2.6318 2.6873 2.9510 3.0587 3.1560 3.1563 3.7324 3.8295 4.0933 4.1450 5.0339 5.0832 5.1632 5.2477 7.2033 7.2225 8.4186 8.4545 8.8046 8.8227 9.0708 9.0817 k =-0.3127 0.4415 0.5411 ( 15157 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.9095 -4.9052 -4.6052 -4.6050 -4.0730 -4.0715 -2.9123 -2.9106 -0.8530 -0.7837 0.6098 0.6508 1.8190 1.9619 2.1903 2.2774 2.3226 2.3608 2.6359 2.6727 2.9397 3.0590 3.1394 3.1461 3.7360 3.8276 4.0973 4.1437 5.0337 5.0832 5.1634 5.2480 7.1975 7.2138 8.4164 8.4514 8.8071 8.8246 9.0713 9.0792 k =-0.3127 0.4415 0.5411 ( 15157 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.9095 -4.9052 -4.6052 -4.6050 -4.0730 -4.0715 -2.9123 -2.9106 -0.8530 -0.7837 0.6098 0.6508 1.8190 1.9619 2.1903 2.2774 2.3226 2.3608 2.6359 2.6727 2.9397 3.0590 3.1394 3.1461 3.7360 3.8276 4.0973 4.1437 5.0337 5.0832 5.1634 5.2480 7.1975 7.2138 8.4164 8.4514 8.8071 8.8246 9.0713 9.0792 k =-0.3038 0.4289 0.5256 ( 15145 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.9295 -4.9253 -4.5619 -4.5616 -4.0873 -4.0859 -2.9095 -2.9078 -0.8680 -0.7990 0.6274 0.6746 1.7981 1.9222 2.1412 2.2393 2.3465 2.3656 2.6258 2.6586 2.8842 2.9996 3.0865 3.0886 3.7799 3.8772 4.1313 4.1904 5.0455 5.0874 5.1716 5.2511 7.2281 7.2451 8.4760 8.5030 8.8376 8.8553 9.1442 9.1446 k =-0.2948 0.4163 0.5101 ( 15153 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.9567 -4.9527 -4.5170 -4.5166 -4.0911 -4.0899 -2.9071 -2.9053 -0.8853 -0.8172 0.6326 0.6858 1.7817 1.8833 2.0912 2.2042 2.3702 2.3709 2.6334 2.6566 2.8385 2.9429 3.0265 3.0367 3.8282 3.9293 4.1713 4.2411 5.0504 5.0832 5.1747 5.2480 7.2603 7.2779 8.5240 8.5412 8.8313 8.8522 9.2029 9.2091 k =-0.2859 0.4037 0.4947 ( 15145 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.9903 -4.9865 -4.4705 -4.4700 -4.0853 -4.0844 -2.9050 -2.9032 -0.9050 -0.8384 0.6269 0.6853 1.7690 1.8451 2.0431 2.1742 2.3681 2.3837 2.6617 2.6641 2.8124 2.8910 2.9672 2.9855 3.8800 3.9838 4.2159 4.2955 5.0476 5.0701 5.1721 5.2383 7.2941 7.3122 8.5591 8.5651 8.8009 8.8276 9.2628 9.2725 k =-0.2770 0.3911 0.4792 ( 15139 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -5.0294 -5.0259 -4.4224 -4.4219 -4.0708 -4.0702 -2.9034 -2.9015 -0.9272 -0.8625 0.6116 0.6746 1.7586 1.8072 1.9992 2.1498 2.3541 2.3843 2.6566 2.7119 2.8207 2.8489 2.9118 2.9396 3.9345 4.0402 4.2643 4.3532 5.0368 5.0480 5.1635 5.2222 7.3297 7.3482 8.5763 8.5817 8.7594 8.7930 9.3281 9.3401 k =-0.2680 0.3785 0.4638 ( 15119 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -5.0727 -5.0694 -4.3730 -4.3724 -4.0490 -4.0486 -2.9022 -2.9003 -0.9518 -0.8894 0.5886 0.6554 1.7482 1.7696 1.9624 2.1312 2.3302 2.3753 2.6358 2.7417 2.8232 2.8395 2.8851 2.9256 3.9910 4.0983 4.3156 4.4138 5.0169 5.0175 5.1486 5.2002 7.3672 7.3859 8.5785 8.5941 8.7157 8.7560 9.4002 9.4138 k =-0.2591 0.3659 0.4483 ( 15115 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -5.1190 -5.1160 -4.3221 -4.3214 -4.0209 -4.0209 -2.9014 -2.8995 -0.9788 -0.9191 0.5593 0.6291 1.7323 1.7345 1.9361 2.1180 2.2993 2.3605 2.6093 2.7251 2.7797 2.8129 2.9447 2.9856 4.0488 4.1572 4.3688 4.4770 4.9770 4.9897 5.1275 5.1732 7.4067 7.4254 8.5759 8.5981 8.6768 8.7213 9.4783 9.4928 k =-0.2502 0.3532 0.4328 ( 15141 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -5.1674 -5.1646 -4.2700 -4.2692 -3.9879 -3.9877 -2.9011 -2.8992 -1.0080 -0.9514 0.5252 0.5974 1.6956 1.7147 1.9234 2.1095 2.2639 2.3422 2.5821 2.6972 2.7294 2.7745 3.0419 3.0776 4.1069 4.2158 4.4230 4.5424 4.9288 4.9533 5.1008 5.1428 7.4481 7.4667 8.5722 8.5923 8.6506 8.6917 9.5605 9.5748 k =-0.2412 0.3406 0.4174 ( 15127 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -5.2170 -5.2144 -4.2166 -4.2157 -3.9506 -3.9502 -2.9012 -2.8994 -1.0394 -0.9860 0.4874 0.5613 1.6598 1.6882 1.9246 2.1046 2.2258 2.3218 2.5543 2.6672 2.6863 2.7400 3.1521 3.1824 4.1639 4.2719 4.4775 4.6093 4.8731 4.9090 5.0698 5.1117 7.4917 7.5099 8.5702 8.5753 8.6430 8.6688 9.6442 9.6572 k =-0.2323 0.3280 0.4019 ( 15131 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -5.2671 -5.2648 -4.1621 -4.1610 -3.9098 -3.9092 -2.9019 -2.9000 -1.0728 -1.0229 0.4469 0.5221 1.6252 1.6572 1.9371 2.1014 2.1870 2.3004 2.5243 2.6269 2.6636 2.7138 3.2692 3.2949 4.2180 4.3217 4.5316 4.6754 4.8124 4.8574 5.0371 5.0843 7.5374 7.5552 8.5556 8.5719 8.6481 8.6533 9.7262 9.7361 k =-0.2233 0.3154 0.3865 ( 15131 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -5.3172 -5.3150 -4.1065 -4.1054 -3.8662 -3.8654 -2.9029 -2.9011 -1.1081 -1.0618 0.4045 0.4805 1.5922 1.6241 1.9578 2.0981 2.1490 2.2793 2.4913 2.5870 2.6529 2.6975 3.3904 3.4120 4.2658 4.3587 4.5860 4.7148 4.7728 4.8000 5.0073 5.0662 7.5852 7.6024 8.5396 8.5781 8.6454 8.6606 9.8006 9.8031 k =-0.2144 0.3028 0.3710 ( 15131 PWs) bands (ev): -93.6997 -93.6996 -93.6996 -93.6996 -5.3668 -5.3648 -4.0500 -4.0487 -3.8201 -3.8192 -2.9044 -2.9026 -1.1450 -1.1024 0.3609 0.4373 1.5611 1.5909 1.9827 2.0921 2.1145 2.2595 2.4556 2.5535 2.6499 2.6908 3.5134 3.5315 4.3023 4.3747 4.6417 4.6590 4.7398 4.8207 4.9890 5.0635 7.6350 7.6517 8.5288 8.5891 8.6447 8.6790 9.8010 9.8046 k =-0.2055 0.2902 0.3555 ( 15133 PWs) bands (ev): -93.6997 -93.6996 -93.6996 -93.6996 -5.4156 -5.4138 -3.9927 -3.9913 -3.7721 -3.7711 -2.9063 -2.9046 -1.1835 -1.1446 0.3167 0.3931 1.5321 1.5586 2.0036 2.0816 2.0908 2.2412 2.4186 2.5291 2.6535 2.6925 3.6359 3.6508 4.3201 4.3638 4.5882 4.6608 4.7192 4.8704 4.9980 5.0803 7.6868 7.7029 8.5223 8.6044 8.6506 8.7026 9.6684 9.6836 k =-0.1965 0.2775 0.3401 ( 15125 PWs) bands (ev): -93.6997 -93.6997 -93.6996 -93.6996 -5.4633 -5.4616 -3.9347 -3.9330 -3.7226 -3.7215 -2.9086 -2.9069 -1.2234 -1.1881 0.2723 0.3484 1.5054 1.5279 2.0015 2.0660 2.0961 2.2233 2.3821 2.5159 2.6631 2.7011 3.7543 3.7662 4.3106 4.3266 4.5221 4.6020 4.7835 4.9048 5.0446 5.1160 7.7404 7.7560 8.5184 8.6221 8.6625 8.7307 9.5219 9.5334 k =-0.1876 0.2649 0.3246 ( 15135 PWs) bands (ev): -93.6997 -93.6997 -93.6996 -93.6996 -5.5097 -5.5081 -3.8760 -3.8742 -3.6720 -3.6708 -2.9113 -2.9096 -1.2645 -1.2326 0.2280 0.3035 1.4813 1.4993 1.9789 2.0463 2.1265 2.2044 2.3479 2.5148 2.6779 2.7155 3.8620 3.8715 4.2689 4.2695 4.4703 4.5444 4.8590 4.9410 5.1138 5.1670 7.7956 7.8107 8.5138 8.6381 8.6806 8.7621 9.3739 9.3777 k =-0.1787 0.2523 0.3092 ( 15145 PWs) bands (ev): -93.6997 -93.6997 -93.6996 -93.6996 -5.5546 -5.5531 -3.8169 -3.8149 -3.6205 -3.6193 -2.9142 -2.9126 -1.3065 -1.2781 0.1842 0.2588 1.4598 1.4731 1.9516 2.0237 2.1631 2.1838 2.3197 2.5252 2.6975 2.7346 3.9457 3.9537 4.1975 4.2032 4.4434 4.5046 4.9399 4.9902 5.1923 5.2293 7.8521 7.8668 8.5040 8.6463 8.7047 8.7940 9.2220 9.2285 k =-0.1697 0.2397 0.2937 ( 15131 PWs) bands (ev): -93.6997 -93.6997 -93.6996 -93.6996 -5.5978 -5.5965 -3.7574 -3.7553 -3.5685 -3.5673 -2.9175 -2.9159 -1.3494 -1.3243 0.1412 0.2146 1.4411 1.4494 1.9251 1.9999 2.1621 2.1917 2.3064 2.5450 2.7211 2.7576 3.9830 3.9907 4.1201 4.1246 4.4565 4.5027 5.0250 5.0523 5.2753 5.2996 7.9095 7.9241 8.4831 8.6403 8.7302 8.8182 9.0719 9.0941 k =-0.1608 0.2271 0.2783 ( 15133 PWs) bands (ev): -93.6997 -93.6997 -93.6996 -93.6996 -5.6393 -5.6380 -3.6978 -3.6954 -3.5164 -3.5152 -2.9209 -2.9194 -1.3929 -1.3709 0.0992 0.1711 1.4251 1.4283 1.9007 1.9758 2.1404 2.1956 2.3235 2.5718 2.7483 2.7838 3.9592 3.9648 4.0461 4.0461 4.5178 4.5510 5.1136 5.1245 5.3612 5.3757 7.9676 7.9822 8.4446 8.6125 8.7403 8.8024 8.9435 9.0024 k =-0.1519 0.2145 0.2628 ( 15139 PWs) bands (ev): -93.6997 -93.6997 -93.6996 -93.6996 -5.6789 -5.6777 -3.6381 -3.6355 -3.4644 -3.4632 -2.9245 -2.9232 -1.4370 -1.4179 0.0584 0.1285 1.4099 1.4120 1.8792 1.9523 2.1199 2.1803 2.3646 2.6033 2.7784 2.8125 3.8892 3.8912 3.9714 3.9753 4.6132 4.6378 5.2045 5.2053 5.4490 5.4559 8.0255 8.0406 8.3846 8.5567 8.6811 8.7080 8.8900 8.9907 k =-0.1429 0.2018 0.2473 ( 15147 PWs) bands (ev): -93.6997 -93.6997 -93.6996 -93.6996 -5.7165 -5.7155 -3.5785 -3.5757 -3.4128 -3.4117 -2.9283 -2.9270 -1.4813 -1.4650 0.0189 0.0871 1.3941 1.4015 1.8608 1.9298 2.1018 2.1599 2.4151 2.6373 2.8106 2.8427 3.7998 3.8005 3.8940 3.8984 4.7254 4.7447 5.2904 5.2998 5.5382 5.5393 8.0823 8.0986 8.3044 8.4735 8.5574 8.5784 8.9057 9.0131 k =-0.1340 0.1892 0.2319 ( 15157 PWs) bands (ev): -93.6997 -93.6997 -93.6996 -93.6996 -5.7521 -5.7511 -3.5192 -3.5162 -3.3620 -3.3609 -2.9321 -2.9309 -1.5259 -1.5122 -0.0190 0.0469 1.3809 1.3937 1.8459 1.9090 2.0867 2.1401 2.4688 2.6720 2.8438 2.8734 3.7033 3.7075 3.8125 3.8167 4.8447 4.8604 5.3812 5.3970 5.6250 5.6286 8.1334 8.1550 8.2115 8.3700 8.4221 8.4442 8.9377 9.0362 k =-0.1251 0.1766 0.2164 ( 15147 PWs) bands (ev): -93.6997 -93.6997 -93.6996 -93.6996 -5.7857 -5.7847 -3.4604 -3.4572 -3.3122 -3.3113 -2.9360 -2.9349 -1.5705 -1.5591 -0.0552 0.0082 1.3703 1.3882 1.8345 1.8904 2.0752 2.1227 2.5231 2.7053 2.8765 2.9031 3.6060 3.6155 3.7298 3.7339 4.9661 4.9793 5.4760 5.4966 5.7122 5.7196 8.0958 8.1846 8.2004 8.2543 8.2981 8.3233 8.9698 9.0505 k =-0.1161 0.1640 0.2010 ( 15151 PWs) bands (ev): -93.6997 -93.6997 -93.6996 -93.6996 -5.8170 -5.8162 -3.4023 -3.3989 -3.2639 -3.2630 -2.9397 -2.9388 -1.6149 -1.6057 -0.0895 -0.0290 1.3619 1.3849 1.8269 1.8743 2.0677 2.1087 2.5759 2.7352 2.9064 2.9296 3.5104 3.5282 3.6492 3.6540 5.0868 5.0982 5.5743 5.5985 5.8005 5.8108 7.9886 8.1250 8.1368 8.1459 8.2850 8.2905 8.9952 9.0550 k =-0.1072 0.1514 0.1855 ( 15141 PWs) bands (ev): -93.6997 -93.6997 -93.6996 -93.6996 -5.8462 -5.8455 -3.3452 -3.3416 -3.2173 -3.2165 -2.9434 -2.9426 -1.6590 -1.6517 -0.1218 -0.0645 1.3558 1.3835 1.8231 1.8615 2.0645 2.0987 2.6253 2.7590 2.9300 2.9500 3.4187 3.4489 3.5742 3.5810 5.2050 5.2150 5.6756 5.7024 5.8891 5.9018 7.8789 7.9998 8.0203 8.0277 8.3314 8.3341 9.0086 9.0487 k =-0.0983 0.1388 0.1700 ( 15141 PWs) bands (ev): -93.6997 -93.6997 -93.6996 -93.6996 -5.8732 -5.8725 -3.2893 -3.2856 -3.1728 -3.1720 -2.9469 -2.9462 -1.7025 -1.6970 -0.1520 -0.0981 1.3517 1.3834 1.8232 1.8523 2.0658 2.0930 2.6684 2.7733 2.9426 2.9602 3.3340 3.3819 3.5098 3.5195 5.3193 5.3284 5.7793 5.8078 5.9776 5.9921 7.7714 7.8778 7.8995 7.9106 8.3802 8.3850 9.0055 9.0304 k =-0.0893 0.1262 0.1546 ( 15135 PWs) bands (ev): -93.6997 -93.6997 -93.6996 -93.6996 -5.8979 -5.8973 -3.2350 -3.2312 -3.1308 -3.1300 -2.9502 -2.9496 -1.7452 -1.7413 -0.1799 -0.1297 1.3493 1.3843 1.8273 1.8475 2.0716 2.0920 2.7010 2.7741 2.9388 2.9552 3.2606 3.3306 3.4614 3.4743 5.4286 5.4370 5.8847 5.9142 6.0651 6.0810 7.6681 7.7617 7.7833 7.7975 8.4282 8.4337 8.9843 8.9999 k =-0.0804 0.1135 0.1391 ( 15135 PWs) bands (ev): -93.6997 -93.6997 -93.6996 -93.6996 -5.9204 -5.9198 -3.1826 -3.1787 -3.0916 -3.0909 -2.9530 -2.9527 -1.7868 -1.7842 -0.2054 -0.1592 1.3484 1.3855 1.8354 1.8474 2.0820 2.0961 2.7173 2.7582 2.9160 2.9320 3.2044 3.2962 3.4339 3.4486 5.5319 5.5399 5.9907 6.0204 6.1508 6.1677 7.5709 7.6531 7.6737 7.6899 8.4732 8.4791 8.9473 8.9590 k =-0.0715 0.1009 0.1237 ( 15145 PWs) bands (ev): -93.6997 -93.6997 -93.6996 -93.6996 -5.9405 -5.9400 -3.1326 -3.1287 -3.0559 -3.0552 -2.9553 -2.9552 -1.8269 -1.8254 -0.2284 -0.1864 1.3488 1.3868 1.8475 1.8525 2.0972 2.1053 2.7116 2.7250 2.8762 2.8914 3.1710 3.2768 3.4273 3.4414 5.6285 5.6362 6.0960 6.1254 6.2340 6.2513 7.4809 7.5529 7.5720 7.5892 8.5138 8.5200 8.8995 8.9113 k =-0.0625 0.0883 0.1082 ( 15139 PWs) bands (ev): -93.6997 -93.6997 -93.6996 -93.6996 -5.9583 -5.9579 -3.0854 -3.0816 -3.0244 -3.0234 -2.9567 -2.9564 -1.8651 -1.8645 -0.2486 -0.2113 1.3502 1.3876 1.8630 1.8635 2.1170 2.1198 2.6780 2.6828 2.8239 2.8378 3.1612 3.2693 3.4364 3.4480 5.7176 5.7249 6.1990 6.2273 6.3135 6.3306 7.3994 7.4619 7.4793 7.4963 8.5484 8.5553 8.8465 8.8617 k =-0.0536 0.0757 0.0928 ( 15157 PWs) bands (ev): -93.6997 -93.6997 -93.6996 -93.6996 -5.9737 -5.9734 -3.0418 -3.0382 -2.9988 -2.9974 -2.9559 -2.9551 -1.9009 -1.9008 -0.2661 -0.2335 1.3524 1.3876 1.8788 1.8830 2.1398 2.1415 2.6228 2.6367 2.7639 2.7766 3.1695 3.2700 3.4542 3.4630 5.7982 5.8051 6.2976 6.3242 6.3880 6.4045 7.3275 7.3810 7.3964 7.4123 8.5746 8.5831 8.7940 8.8157 k =-0.0447 0.0631 0.0773 ( 15165 PWs) bands (ev): -93.6997 -93.6997 -93.6996 -93.6996 -5.9868 -5.9865 -3.0024 -2.9991 -2.9826 -2.9810 -2.9491 -2.9479 -1.9338 -1.9333 -0.2806 -0.2531 1.3552 1.3869 1.8993 1.9055 2.1651 2.1705 2.5645 2.5815 2.7001 2.7119 3.1878 3.2751 3.4756 3.4816 5.8695 5.8758 6.3894 6.4134 6.4562 6.4712 7.2660 7.3110 7.3243 7.3381 8.5890 8.6002 8.7475 8.7796 k =-0.0357 0.0505 0.0618 ( 15149 PWs) bands (ev): -93.6997 -93.6997 -93.6996 -93.6996 -5.9975 -5.9973 -2.9768 -2.9755 -2.9681 -2.9653 -2.9352 -2.9343 -1.9626 -1.9618 -0.2921 -0.2698 1.3584 1.3853 1.9234 1.9302 2.1955 2.2038 2.5075 2.5241 2.6354 2.6468 3.2101 3.2814 3.4967 3.5005 5.9303 5.9358 6.4716 6.4917 6.5167 6.5291 7.2158 7.2525 7.2637 7.2747 8.5893 8.6028 8.7116 8.7569 k =-0.0268 0.0378 0.0464 ( 15167 PWs) bands (ev): -93.6997 -93.6997 -93.6996 -93.6996 -6.0059 -6.0057 -2.9753 -2.9745 -2.9399 -2.9377 -2.9209 -2.9204 -1.9863 -1.9855 -0.3005 -0.2837 1.3619 1.3830 1.9492 1.9553 2.2306 2.2410 2.4557 2.4700 2.5722 2.5834 3.2324 3.2864 3.5151 3.5174 5.9795 5.9839 6.5410 6.5549 6.5689 6.5766 7.1776 7.2063 7.2156 7.2229 8.5792 8.5916 8.6847 8.7355 k =-0.0179 0.0252 0.0309 ( 15157 PWs) bands (ev): -93.6997 -93.6997 -93.6996 -93.6996 -6.0118 -6.0117 -2.9751 -2.9746 -2.9187 -2.9173 -2.9097 -2.9095 -2.0040 -2.0034 -0.3058 -0.2944 1.3656 1.3801 1.9737 1.9782 2.2691 2.2805 2.4134 2.4245 2.5131 2.5236 3.2523 3.2884 3.5294 3.5305 6.0159 6.0191 6.5938 6.5982 6.6122 6.6124 7.1519 7.1726 7.1804 7.1839 8.5673 8.5761 8.6608 8.6929 k =-0.0089 0.0126 0.0155 ( 15161 PWs) bands (ev): -93.6997 -93.6997 -93.6996 -93.6996 -6.0154 -6.0153 -2.9751 -2.9748 -2.9056 -2.9051 -2.9026 -2.9024 -2.0150 -2.0146 -0.3078 -0.3021 1.3694 1.3768 1.9923 1.9947 2.3072 2.3173 2.3866 2.3935 2.4632 2.4715 3.2684 3.2865 3.5383 3.5388 6.0386 6.0402 6.6238 6.6250 6.6368 6.6404 7.1391 7.1507 7.1588 7.1593 8.5599 8.5644 8.6432 8.6578 k = 0.0000 0.0000 0.0000 ( 15195 PWs) bands (ev): -93.6997 -93.6997 -93.6996 -93.6996 -6.0166 -6.0166 -2.9750 -2.9750 -2.9016 -2.9016 -2.8996 -2.8996 -2.0185 -2.0185 -0.3065 -0.3065 1.3732 1.3732 2.0001 2.0001 2.3308 2.3308 2.3816 2.3816 2.4421 2.4421 3.2798 3.2798 3.5415 3.5415 6.0468 6.0468 6.6332 6.6332 6.6484 6.6484 7.1391 7.1391 7.1513 7.1513 8.5590 8.5590 8.6407 8.6407 k = 0.0000 0.0000 0.0000 ( 15195 PWs) bands (ev): -93.6997 -93.6997 -93.6996 -93.6996 -6.0166 -6.0166 -2.9750 -2.9750 -2.9016 -2.9016 -2.8996 -2.8996 -2.0185 -2.0185 -0.3065 -0.3065 1.3732 1.3732 2.0001 2.0001 2.3308 2.3308 2.3816 2.3816 2.4421 2.4421 3.2798 3.2798 3.5415 3.5415 6.0468 6.0468 6.6332 6.6332 6.6484 6.6484 7.1391 7.1391 7.1513 7.1513 8.5590 8.5590 8.6407 8.6407 k = 0.0179 0.0126-0.0000 ( 15175 PWs) bands (ev): -93.6997 -93.6997 -93.6996 -93.6996 -6.0153 -6.0153 -2.9857 -2.9857 -2.9018 -2.9018 -2.8998 -2.8998 -2.0087 -2.0087 -0.3078 -0.3078 1.3733 1.3733 2.0040 2.0040 2.3331 2.3331 2.3841 2.3841 2.4442 2.4442 3.2813 3.2813 3.5430 3.5430 6.0397 6.0397 6.6225 6.6225 6.6409 6.6409 7.1183 7.1183 7.1743 7.1743 8.5548 8.5548 8.6498 8.6498 k = 0.0357 0.0253 0.0000 ( 15179 PWs) bands (ev): -93.6997 -93.6997 -93.6996 -93.6996 -6.0116 -6.0116 -3.0166 -3.0166 -2.9025 -2.9025 -2.9005 -2.9005 -1.9806 -1.9806 -0.3118 -0.3118 1.3739 1.3739 2.0155 2.0155 2.3396 2.3396 2.3918 2.3918 2.4502 2.4502 3.2858 3.2858 3.5473 3.5473 6.0188 6.0188 6.5910 6.5910 6.6188 6.6188 7.0946 7.0946 7.2046 7.2046 8.5431 8.5431 8.6742 8.6742 k = 0.0536 0.0379 0.0000 ( 15171 PWs) bands (ev): -93.6997 -93.6997 -93.6996 -93.6996 -6.0054 -6.0054 -3.0643 -3.0643 -2.9036 -2.9036 -2.9017 -2.9017 -1.9376 -1.9376 -0.3182 -0.3182 1.3753 1.3753 2.0343 2.0343 2.3502 2.3502 2.4047 2.4047 2.4602 2.4602 3.2932 3.2932 3.5546 3.5546 5.9845 5.9845 6.5407 6.5407 6.5832 6.5832 7.0728 7.0728 7.2372 7.2372 8.5236 8.5236 8.7087 8.7087 k = 0.0714 0.0506-0.0000 ( 15175 PWs) bands (ev): -93.6997 -93.6997 -93.6996 -93.6996 -5.9968 -5.9968 -3.1251 -3.1251 -2.9052 -2.9052 -2.9033 -2.9033 -1.8836 -1.8836 -0.3271 -0.3271 1.3781 1.3781 2.0598 2.0598 2.3643 2.3643 2.4229 2.4229 2.4744 2.4744 3.3035 3.3035 3.5647 3.5647 5.9378 5.9378 6.4745 6.4745 6.5354 6.5354 7.0530 7.0530 7.2720 7.2720 8.4947 8.4947 8.7486 8.7486 k = 0.0893 0.0632 0.0000 ( 15183 PWs) bands (ev): -93.6997 -93.6997 -93.6996 -93.6996 -5.9856 -5.9856 -3.1952 -3.1952 -2.9073 -2.9073 -2.9053 -2.9053 -1.8222 -1.8222 -0.3382 -0.3382 1.3831 1.3831 2.0914 2.0914 2.3815 2.3815 2.4464 2.4464 2.4927 2.4927 3.3168 3.3168 3.5777 3.5777 5.8795 5.8795 6.3952 6.3952 6.4774 6.4774 7.0350 7.0350 7.3088 7.3088 8.4559 8.4559 8.7890 8.7890 k = 0.1071 0.0759 0.0000 ( 15159 PWs) bands (ev): -93.6997 -93.6997 -93.6996 -93.6996 -5.9720 -5.9720 -3.2722 -3.2722 -2.9096 -2.9096 -2.9078 -2.9078 -1.7564 -1.7564 -0.3514 -0.3514 1.3911 1.3911 2.1282 2.1282 2.4015 2.4015 2.4747 2.4747 2.5155 2.5155 3.3330 3.3330 3.5935 3.5935 5.8108 5.8108 6.3060 6.3060 6.4109 6.4109 7.0187 7.0187 7.3473 7.3473 8.4075 8.4075 8.8244 8.8244 k = 0.1250 0.0885-0.0000 ( 15155 PWs) bands (ev): -93.6997 -93.6997 -93.6996 -93.6996 -5.9560 -5.9560 -3.3538 -3.3538 -2.9124 -2.9124 -2.9106 -2.9106 -1.6883 -1.6883 -0.3664 -0.3664 1.4028 1.4028 2.1696 2.1696 2.4241 2.4241 2.5069 2.5069 2.5432 2.5432 3.3522 3.3522 3.6122 3.6122 5.7326 5.7326 6.2096 6.2096 6.3376 6.3376 7.0040 7.0040 7.3873 7.3873 8.3501 8.3501 8.8484 8.8484 k = 0.1429 0.1012-0.0000 ( 15163 PWs) bands (ev): -93.6997 -93.6997 -93.6996 -93.6996 -5.9374 -5.9374 -3.4386 -3.4386 -2.9155 -2.9155 -2.9137 -2.9137 -1.6198 -1.6198 -0.3831 -0.3831 1.4190 1.4190 2.2149 2.2149 2.4491 2.4491 2.5416 2.5416 2.5766 2.5766 3.3742 3.3742 3.6337 3.6337 5.6457 5.6457 6.1084 6.1084 6.2590 6.2590 6.9907 6.9907 7.4284 7.4284 8.2847 8.2847 8.8521 8.8521 k = 0.1607 0.1138 0.0000 ( 15159 PWs) bands (ev): -93.6997 -93.6997 -93.6996 -93.6996 -5.9165 -5.9165 -3.5255 -3.5255 -2.9188 -2.9188 -2.9171 -2.9171 -1.5519 -1.5519 -0.4011 -0.4011 1.4402 1.4402 2.2635 2.2635 2.4764 2.4764 2.5777 2.5777 2.6162 2.6162 3.3990 3.3990 3.6580 3.6580 5.5509 5.5509 6.0045 6.0045 6.1764 6.1764 6.9785 6.9785 7.4703 7.4703 8.2121 8.2121 8.8236 8.8236 k = 0.1786 0.1265-0.0000 ( 15159 PWs) bands (ev): -93.6997 -93.6997 -93.6996 -93.6996 -5.8930 -5.8930 -3.6136 -3.6136 -2.9224 -2.9224 -2.9207 -2.9207 -1.4856 -1.4856 -0.4204 -0.4204 1.4671 1.4671 2.3146 2.3146 2.5059 2.5059 2.6151 2.6151 2.6614 2.6614 3.4267 3.4267 3.6850 3.6850 5.4490 5.4490 5.8995 5.8995 6.0909 6.0909 6.9672 6.9672 7.5123 7.5123 8.1332 8.1332 8.7575 8.7575 k = 0.1964 0.1391 0.0000 ( 15147 PWs) bands (ev): -93.6997 -93.6997 -93.6996 -93.6996 -5.8672 -5.8672 -3.7025 -3.7025 -2.9261 -2.9261 -2.9245 -2.9245 -1.4218 -1.4218 -0.4406 -0.4406 1.5000 1.5000 2.3676 2.3676 2.5373 2.5373 2.6543 2.6543 2.7110 2.7110 3.4571 3.4571 3.7147 3.7147 5.3405 5.3405 5.7950 5.7950 6.0034 6.0034 6.9562 6.9562 7.5537 7.5537 8.0490 8.0490 8.6615 8.6615 k = 0.2143 0.1518-0.0000 ( 15159 PWs) bands (ev): -93.6997 -93.6997 -93.6996 -93.6996 -5.8389 -5.8389 -3.7915 -3.7915 -2.9300 -2.9300 -2.9285 -2.9285 -1.3610 -1.3610 -0.4615 -0.4615 1.5394 1.5394 2.4220 2.4220 2.5704 2.5704 2.6954 2.6954 2.7639 2.7639 3.4902 3.4902 3.7469 3.7469 5.2262 5.2262 5.6917 5.6917 5.9148 5.9148 6.9454 6.9454 7.5937 7.5937 7.9605 7.9605 8.5471 8.5471 k = 0.2321 0.1644-0.0000 ( 15175 PWs) bands (ev): -93.6997 -93.6997 -93.6996 -93.6996 -5.8082 -5.8082 -3.8804 -3.8804 -2.9340 -2.9340 -2.9326 -2.9326 -1.3034 -1.3034 -0.4829 -0.4829 1.5854 1.5854 2.4772 2.4772 2.6049 2.6049 2.7387 2.7387 2.8192 2.8192 3.5259 3.5259 3.7817 3.7817 5.1070 5.1070 5.5903 5.5903 5.8256 5.8256 6.9342 6.9342 7.6313 7.6313 7.8687 7.8687 8.4235 8.4235 k = 0.2500 0.1770-0.0000 ( 15183 PWs) bands (ev): -93.6997 -93.6997 -93.6996 -93.6996 -5.7751 -5.7751 -3.9688 -3.9688 -2.9380 -2.9380 -2.9366 -2.9366 -1.2494 -1.2494 -0.5048 -0.5048 1.6382 1.6382 2.5325 2.5325 2.6405 2.6405 2.7839 2.7839 2.8761 2.8761 3.5642 3.5642 3.8189 3.8189 4.9838 4.9838 5.4913 5.4913 5.7363 5.7363 6.9223 6.9223 7.6654 7.6654 7.7750 7.7750 8.2965 8.2965 k = 0.2679 0.1897 0.0000 ( 15147 PWs) bands (ev): -93.6997 -93.6997 -93.6996 -93.6996 -5.7396 -5.7396 -4.0565 -4.0565 -2.9420 -2.9420 -2.9407 -2.9407 -1.1991 -1.1991 -0.5268 -0.5268 1.6977 1.6977 2.5874 2.5874 2.6768 2.6768 2.8308 2.8308 2.9338 2.9338 3.6048 3.6048 3.8583 3.8583 4.8575 4.8575 5.3949 5.3949 5.6475 5.6475 6.9091 6.9091 7.6754 7.6754 7.6998 7.6998 8.1699 8.1699 k = 0.2857 0.2023 0.0000 ( 15151 PWs) bands (ev): -93.6997 -93.6997 -93.6996 -93.6996 -5.7017 -5.7017 -4.1432 -4.1432 -2.9459 -2.9459 -2.9447 -2.9447 -1.1525 -1.1525 -0.5489 -0.5489 1.7639 1.7639 2.6413 2.6413 2.7135 2.7135 2.8788 2.8788 2.9917 2.9917 3.6478 3.6478 3.8998 3.8998 4.7289 4.7289 5.3012 5.3012 5.5595 5.5595 6.8944 6.8944 7.5829 7.5829 7.7220 7.7220 8.0461 8.0461 k = 0.3036 0.2150 0.0000 ( 15163 PWs) bands (ev): -93.6997 -93.6997 -93.6996 -93.6996 -5.6614 -5.6614 -4.2289 -4.2289 -2.9497 -2.9497 -2.9486 -2.9486 -1.1096 -1.1096 -0.5710 -0.5710 1.8365 1.8365 2.6937 2.6937 2.7500 2.7500 2.9275 2.9275 3.0491 3.0491 3.6928 3.6928 3.9429 3.9429 4.5992 4.5992 5.2104 5.2104 5.4726 5.4726 6.8779 6.8779 7.4884 7.4884 7.7418 7.7418 7.9272 7.9272 k = 0.3214 0.2276 0.0000 ( 15155 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -5.6188 -5.6188 -4.3133 -4.3133 -2.9534 -2.9534 -2.9523 -2.9523 -1.0700 -1.0700 -0.5929 -0.5929 1.9152 1.9152 2.7441 2.7441 2.7858 2.7858 2.9760 2.9760 3.1051 3.1051 3.7399 3.7399 3.9870 3.9870 4.4697 4.4697 5.1225 5.1225 5.3872 5.3872 6.8596 6.8596 7.3957 7.3957 7.7540 7.7540 7.8164 7.8164 k = 0.3393 0.2403-0.0000 ( 15154 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -5.5738 -5.5738 -4.3964 -4.3964 -2.9568 -2.9568 -2.9559 -2.9559 -1.0336 -1.0336 -0.6146 -0.6146 1.9996 1.9996 2.7919 2.7919 2.8205 2.8205 3.0233 3.0233 3.1592 3.1592 3.7887 3.7887 4.0307 4.0307 4.3423 4.3423 5.0379 5.0379 5.3034 5.3034 6.8398 6.8398 7.3058 7.3058 7.7005 7.7005 7.7136 7.7136 k = 0.3571 0.2529-0.0000 ( 15166 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -5.5265 -5.5265 -4.4780 -4.4780 -2.9600 -2.9600 -2.9591 -2.9591 -1.0002 -1.0002 -0.6361 -0.6361 2.0892 2.0892 2.8366 2.8366 2.8537 2.8537 3.0683 3.0683 3.2105 3.2105 3.8391 3.8391 4.0668 4.0668 4.2248 4.2248 4.9567 4.9567 5.2217 5.2217 6.8193 6.8193 7.2197 7.2197 7.6045 7.6045 7.6138 7.6138 k = 0.3750 0.2656 0.0000 ( 15158 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -5.4770 -5.4770 -4.5580 -4.5580 -2.9629 -2.9629 -2.9621 -2.9621 -0.9694 -0.9694 -0.6573 -0.6573 2.1835 2.1835 2.8758 2.8758 2.8865 2.8865 3.1092 3.1092 3.2584 3.2584 3.8906 3.8906 4.0437 4.0437 4.1698 4.1698 4.8796 4.8796 5.1421 5.1421 6.7989 6.7989 7.1384 7.1384 7.5153 7.5153 7.5227 7.5227 k = 0.3929 0.2782 0.0000 ( 15170 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -5.4251 -5.4251 -4.6363 -4.6363 -2.9654 -2.9654 -2.9648 -2.9648 -0.9409 -0.9409 -0.6782 -0.6782 2.2816 2.2816 2.9054 2.9054 2.9217 2.9217 3.1441 3.1441 3.3024 3.3024 3.9324 3.9324 3.9515 3.9515 4.1982 4.1982 4.8074 4.8074 5.0648 5.0648 6.7798 6.7798 7.0628 7.0628 7.4356 7.4356 7.4415 7.4415 k = 0.4107 0.2909-0.0000 ( 15162 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -5.3710 -5.3710 -4.7129 -4.7129 -2.9677 -2.9677 -2.9671 -2.9671 -0.9144 -0.9144 -0.6989 -0.6989 2.3827 2.3827 2.9275 2.9275 2.9560 2.9560 3.1701 3.1701 3.3421 3.3421 3.8279 3.8279 3.9984 3.9984 4.2393 4.2393 4.7417 4.7417 4.9903 4.9903 6.7636 6.7636 6.9938 6.9938 7.3663 7.3663 7.3710 7.3710 k = 0.4286 0.3035-0.0000 ( 15182 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -5.3147 -5.3147 -4.7877 -4.7877 -2.9695 -2.9695 -2.9691 -2.9691 -0.8895 -0.8895 -0.7194 -0.7194 2.4856 2.4856 2.9426 2.9426 2.9872 2.9872 3.1837 3.1837 3.3772 3.3772 3.7246 3.7246 4.0525 4.0525 4.2774 4.2774 4.6858 4.6858 4.9187 4.9187 6.7517 6.7517 6.9322 6.9322 7.3085 7.3085 7.3120 7.3120 k = 0.4464 0.3161 0.0000 ( 15186 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -5.2561 -5.2561 -4.8606 -4.8606 -2.9709 -2.9709 -2.9706 -2.9706 -0.8660 -0.8660 -0.7397 -0.7397 2.5885 2.5885 2.9486 2.9486 3.0149 3.0149 3.1805 3.1805 3.4081 3.4081 3.6362 3.6362 4.1068 4.1068 4.3047 4.3047 4.6457 4.6457 4.8505 4.8505 6.7454 6.7454 6.8788 6.8788 7.2627 7.2627 7.2652 7.2652 k = 0.4643 0.3288 0.0000 ( 15146 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -5.1954 -5.1954 -4.9316 -4.9316 -2.9720 -2.9720 -2.9718 -2.9718 -0.8436 -0.8436 -0.7600 -0.7600 2.6888 2.6888 2.9414 2.9414 3.0402 3.0402 3.1590 3.1590 3.4355 3.4355 3.5681 3.5681 4.1604 4.1604 4.3119 4.3119 4.6301 4.6301 4.7866 4.7866 6.7461 6.7461 6.8340 6.8340 7.2296 7.2296 7.2312 7.2312 k = 0.4821 0.3414 0.0000 ( 15158 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -5.1326 -5.1326 -5.0007 -5.0007 -2.9726 -2.9726 -2.9725 -2.9725 -0.8220 -0.8220 -0.7804 -0.7804 2.7817 2.7817 2.9138 2.9138 3.0647 3.0647 3.1255 3.1255 3.4609 3.4609 3.5206 3.5206 4.2119 4.2119 4.2946 4.2946 4.6430 4.6430 4.7283 4.7283 6.7547 6.7547 6.7984 6.7984 7.2097 7.2097 7.2104 7.2104 k = 0.5000 0.3541-0.0000 ( 15158 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -5.0677 -5.0677 -5.0677 -5.0677 -2.9727 -2.9727 -2.9727 -2.9727 -0.8010 -0.8010 -0.8010 -0.8010 2.8597 2.8597 2.8597 2.8597 3.0923 3.0923 3.0923 3.0923 3.4874 3.4874 3.4874 3.4874 4.2584 4.2584 4.2584 4.2584 4.6786 4.6786 4.6786 4.6786 6.7720 6.7720 6.7720 6.7720 7.2032 7.2032 7.2032 7.2032 k = 0.5000 0.3541-0.0000 ( 15158 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -5.0677 -5.0677 -5.0677 -5.0677 -2.9727 -2.9727 -2.9727 -2.9727 -0.8010 -0.8010 -0.8010 -0.8010 2.8597 2.8597 2.8597 2.8597 3.0923 3.0923 3.0923 3.0923 3.4874 3.4874 3.4874 3.4874 4.2584 4.2584 4.2584 4.2584 4.6786 4.6786 4.6786 4.6786 6.7720 6.7720 6.7720 6.7720 7.2032 7.2032 7.2032 7.2032 k = 0.4911 0.3667 0.0154 ( 15158 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -5.0669 -5.0667 -5.0666 -5.0666 -2.9790 -2.9790 -2.9726 -2.9725 -0.8029 -0.7985 -0.7934 -0.7934 2.8260 2.8566 2.8570 2.8865 3.0624 3.0872 3.0921 3.1188 3.4722 3.4726 3.4963 3.5000 4.2364 4.2515 4.2662 4.2795 4.6697 4.6754 4.6777 4.6862 6.7721 6.7768 6.7794 6.7823 7.2040 7.2077 7.2099 7.2114 k = 0.4822 0.3793 0.0309 ( 15170 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -5.0645 -5.0641 -5.0633 -5.0633 -2.9976 -2.9976 -2.9720 -2.9718 -0.8043 -0.7954 -0.7710 -0.7709 2.7859 2.8471 2.8492 2.9049 3.0304 3.0780 3.0866 3.1420 3.4516 3.4529 3.5000 3.5116 4.2098 4.2404 4.2795 4.3031 4.6526 4.6674 4.6765 4.6980 6.7787 6.7897 6.8006 6.8082 7.2115 7.2197 7.2295 7.2320 k = 0.4732 0.3919 0.0463 ( 15180 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -5.0604 -5.0598 -5.0579 -5.0579 -3.0277 -3.0276 -2.9709 -2.9707 -0.8052 -0.7919 -0.7347 -0.7344 2.7402 2.8302 2.8364 2.9105 3.0008 3.0664 3.0759 3.1620 3.4250 3.4289 3.4994 3.5229 4.1763 4.2217 4.3001 4.3297 4.6288 4.6479 4.6823 4.7142 6.7911 6.8066 6.8381 6.8489 7.2260 7.2392 7.2621 7.2653 k = 0.4643 0.4045 0.0617 ( 15178 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -5.0547 -5.0538 -5.0503 -5.0503 -3.0680 -3.0679 -2.9695 -2.9691 -0.8055 -0.7878 -0.6856 -0.6852 2.6894 2.8056 2.8184 2.8940 2.9818 3.0551 3.0605 3.1786 3.3936 3.4009 3.4952 3.5344 4.1354 4.1944 4.3278 4.3566 4.6020 4.6205 4.6930 4.7347 6.8083 6.8267 6.8903 6.9036 7.2479 7.2667 7.3070 7.3106 k = 0.4554 0.4171 0.0772 ( 15182 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -5.0473 -5.0463 -5.0406 -5.0406 -3.1171 -3.1170 -2.9677 -2.9672 -0.8055 -0.7834 -0.6253 -0.6247 2.6346 2.7729 2.7951 2.8570 2.9696 3.0408 3.0487 3.1908 3.3586 3.3712 3.4882 3.5461 4.0876 4.1585 4.3606 4.3767 4.5793 4.5871 4.7089 4.7596 6.8287 6.8486 6.9563 6.9709 7.2778 7.3029 7.3635 7.3672 k = 0.4465 0.4297 0.0926 ( 15164 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -5.0385 -5.0372 -5.0287 -5.0287 -3.1735 -3.1733 -2.9654 -2.9649 -0.8050 -0.7786 -0.5555 -0.5546 2.5766 2.7328 2.7664 2.8099 2.9524 3.0172 3.0496 3.1961 3.3215 3.3437 3.4797 3.5579 4.0334 4.1146 4.3784 4.3941 4.5517 4.5725 4.7296 4.7886 6.8509 6.8709 7.0348 7.0498 7.3163 7.3479 7.4309 7.4340 k = 0.4376 0.4423 0.1080 ( 15160 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -5.0282 -5.0268 -5.0147 -5.0146 -3.2357 -3.2354 -2.9629 -2.9622 -0.8043 -0.7736 -0.4777 -0.4766 2.5162 2.6861 2.7325 2.7585 2.9276 2.9892 3.0550 3.1898 3.2842 3.3242 3.4714 3.5697 3.9738 4.0637 4.3552 4.4157 4.5269 4.5886 4.7549 4.8210 6.8736 6.8927 7.1245 7.1389 7.3635 7.4015 7.5084 7.5103 k = 0.4286 0.4548 0.1235 ( 15156 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -5.0167 -5.0150 -4.9985 -4.9985 -3.3022 -3.3019 -2.9600 -2.9592 -0.8035 -0.7686 -0.3937 -0.3920 2.4545 2.6342 2.6941 2.7052 2.8965 2.9565 3.0596 3.1692 3.2498 3.3158 3.4653 3.5816 3.9097 4.0066 4.3140 4.4013 4.5372 4.6211 4.7841 4.8563 6.8960 6.9138 7.2243 7.2371 7.4190 7.4628 7.5952 7.5954 k = 0.4197 0.4674 0.1389 ( 15154 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -5.0039 -5.0020 -4.9802 -4.9802 -3.3719 -3.3715 -2.9568 -2.9560 -0.8026 -0.7636 -0.3047 -0.3025 2.3922 2.5787 2.6510 2.6519 2.8606 2.9185 3.0571 3.1376 3.2235 3.3154 3.4633 3.5935 3.8422 3.9446 4.2640 4.3595 4.5741 4.6615 4.8165 4.8937 6.9177 6.9341 7.3329 7.3431 7.4823 7.5304 7.6887 7.6905 k = 0.4108 0.4800 0.1543 ( 15160 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.9902 -4.9881 -4.9599 -4.9599 -3.4436 -3.4430 -2.9534 -2.9525 -0.8019 -0.7588 -0.2122 -0.2093 2.3300 2.5210 2.5969 2.6070 2.8206 2.8752 3.0413 3.0998 3.2112 3.3176 3.4669 3.6052 3.7726 3.8787 4.2106 4.3092 4.6194 4.7056 4.8510 4.9324 6.9387 6.9538 7.4494 7.4557 7.5525 7.6030 7.7897 7.7937 k = 0.4019 0.4926 0.1698 ( 15158 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.9758 -4.9734 -4.9375 -4.9375 -3.5162 -3.5156 -2.9498 -2.9487 -0.8014 -0.7544 -0.1177 -0.1137 2.2686 2.4625 2.5435 2.5608 2.7771 2.8270 3.0115 3.0587 3.2132 3.3195 3.4757 3.6163 3.7023 3.8097 4.1574 4.2571 4.6670 4.7509 4.8870 4.9717 6.9592 6.9734 7.5718 7.5727 7.6306 7.6792 7.8977 7.9042 k = 0.3930 0.5052 0.1852 ( 15150 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.9608 -4.9582 -4.9130 -4.9130 -3.5889 -3.5881 -2.9460 -2.9449 -0.8014 -0.7506 -0.0223 -0.0171 2.2086 2.4041 2.4918 2.5143 2.7306 2.7747 2.9728 3.0157 3.2243 3.3193 3.4869 3.6258 3.6348 3.7386 4.1077 4.2062 4.7150 4.7964 4.9235 5.0107 6.9796 6.9931 7.6806 7.7019 7.7253 7.7579 8.0122 8.0210 k = 0.3840 0.5178 0.2006 ( 15158 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.9458 -4.9430 -4.8865 -4.8865 -3.6606 -3.6596 -2.9421 -2.9409 -0.8019 -0.7477 0.0724 0.0792 2.1508 2.3468 2.4427 2.4689 2.6818 2.7192 2.9299 2.9718 3.2392 3.3156 3.4887 3.5823 3.6326 3.6663 4.0647 4.1589 4.7622 4.8409 4.9596 5.0489 7.0003 7.0133 7.7713 7.8355 7.8387 7.8455 8.1322 8.1433 k = 0.3751 0.5304 0.2161 ( 15162 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.9313 -4.9281 -4.8580 -4.8579 -3.7304 -3.7293 -2.9381 -2.9368 -0.8033 -0.7459 0.1650 0.1738 2.0955 2.2912 2.3977 2.4258 2.6313 2.6616 2.8855 2.9275 3.2537 3.3059 3.4536 3.5732 3.5936 3.6355 4.0320 4.1172 4.8078 4.8839 4.9947 5.0856 7.0213 7.0342 7.8564 7.9196 7.9739 7.9769 8.2567 8.2700 k = 0.3662 0.5430 0.2315 ( 15150 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.9177 -4.9143 -4.8275 -4.8275 -3.7973 -3.7961 -2.9341 -2.9327 -0.8058 -0.7453 0.2538 0.2653 2.0434 2.2376 2.3581 2.3861 2.5795 2.6029 2.8413 2.8837 3.2639 3.2856 3.3989 3.5214 3.5936 3.6347 4.0126 4.0832 4.8513 4.9248 5.0281 5.1200 7.0432 7.0561 7.9411 8.0014 8.1125 8.1143 8.3842 8.3996 k = 0.3573 0.5556 0.2469 ( 15130 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.9059 -4.9023 -4.7951 -4.7950 -3.8604 -3.8590 -2.9301 -2.9287 -0.8094 -0.7464 0.3371 0.3518 1.9949 2.1862 2.3256 2.3508 2.5273 2.5442 2.7984 2.8410 3.2480 3.2649 3.3498 3.4508 3.6233 3.6328 4.0077 4.0589 4.8920 4.9627 5.0592 5.1517 7.0659 7.0791 8.0257 8.0832 8.2494 8.2557 8.5130 8.5305 k = 0.3484 0.5682 0.2624 ( 15142 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.8968 -4.8930 -4.7608 -4.7607 -3.9183 -3.9168 -2.9262 -2.9247 -0.8145 -0.7493 0.4131 0.4318 1.9505 2.1371 2.3019 2.3206 2.4752 2.4872 2.7577 2.8000 3.1933 3.2517 3.3102 3.3833 3.6351 3.6577 4.0165 4.0454 4.9293 4.9971 5.0874 5.1799 7.0897 7.1034 8.1097 8.1640 8.3851 8.3955 8.6408 8.6600 k = 0.3394 0.5808 0.2778 ( 15146 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.8915 -4.8875 -4.7246 -4.7244 -3.9698 -3.9682 -2.9224 -2.9209 -0.8212 -0.7542 0.4799 0.5032 1.9104 2.0903 2.2885 2.2943 2.4241 2.4345 2.7200 2.7616 3.1301 3.2210 3.2726 3.3204 3.6460 3.6957 4.0366 4.0432 4.9627 5.0273 5.1123 5.2043 7.1146 7.1289 8.1922 8.2430 8.5159 8.5300 8.7644 8.7846 k = 0.3305 0.5934 0.2932 ( 15154 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.8911 -4.8869 -4.6866 -4.6864 -4.0136 -4.0119 -2.9188 -2.9172 -0.8298 -0.7615 0.5357 0.5645 1.8751 2.0457 2.2679 2.2863 2.3749 2.3918 2.6861 2.7266 3.0647 3.1745 3.2322 3.2617 3.6673 3.7368 4.0518 4.0657 4.9917 5.0523 5.1335 5.2241 7.1409 7.1558 8.2721 8.3186 8.6362 8.6531 8.8801 8.8996 k = 0.3216 0.6060 0.3087 ( 15145 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.8968 -4.8926 -4.6468 -4.6465 -4.0483 -4.0467 -2.9154 -2.9138 -0.8403 -0.7713 0.5793 0.6140 1.8445 2.0030 2.2341 2.2934 2.3305 2.3668 2.6574 2.6963 3.0006 3.1184 3.1876 3.2043 3.6979 3.7808 4.0703 4.1019 5.0156 5.0712 5.1506 5.2388 7.1685 7.1841 8.3476 8.3890 8.7371 8.7551 8.9834 8.9990 k = 0.3127 0.6186 0.3241 ( 15157 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.9095 -4.9052 -4.6052 -4.6050 -4.0730 -4.0715 -2.9123 -2.9106 -0.8530 -0.7837 0.6098 0.6508 1.8190 1.9619 2.1903 2.2774 2.3226 2.3608 2.6359 2.6727 2.9397 3.0590 3.1394 3.1461 3.7360 3.8276 4.0973 4.1437 5.0337 5.0832 5.1634 5.2480 7.1975 7.2138 8.4164 8.4514 8.8071 8.8246 9.0713 9.0792 k = 0.3127 0.6186 0.3241 ( 15157 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.9095 -4.9052 -4.6052 -4.6050 -4.0730 -4.0715 -2.9123 -2.9106 -0.8530 -0.7837 0.6098 0.6508 1.8190 1.9619 2.1903 2.2774 2.3226 2.3608 2.6359 2.6727 2.9397 3.0590 3.1394 3.1461 3.7360 3.8276 4.0973 4.1437 5.0337 5.0832 5.1634 5.2480 7.1975 7.2138 8.4164 8.4514 8.8071 8.8246 9.0713 9.0792 k = 0.2931 0.6131 0.3309 ( 15149 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.9209 -4.9168 -4.5839 -4.5835 -4.0777 -4.0762 -2.9120 -2.9103 -0.8597 -0.7907 0.6177 0.6615 1.8089 1.9437 2.1648 2.2554 2.3299 2.3632 2.6347 2.6665 2.9141 3.0336 3.1065 3.1465 3.7530 3.8475 4.1124 4.1610 4.9927 5.0620 5.2020 5.2796 7.2150 7.2340 8.4469 8.4781 8.8192 8.8374 9.1051 9.1099 k = 0.2736 0.6075 0.3377 ( 15151 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.9383 -4.9344 -4.5609 -4.5604 -4.0736 -4.0722 -2.9139 -2.9122 -0.8677 -0.7995 0.6207 0.6670 1.8001 1.9260 2.1300 2.2238 2.3296 2.3732 2.6420 2.6623 2.8940 3.0071 3.0956 3.1574 3.7676 3.8646 4.1309 4.1741 4.9213 5.0010 5.2693 5.3309 7.2422 7.2673 8.4813 8.5077 8.8184 8.8378 9.1338 9.1401 k = 0.2541 0.6020 0.3444 ( 15145 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.9584 -4.9548 -4.5405 -4.5400 -4.0597 -4.0584 -2.9181 -2.9165 -0.8766 -0.8097 0.6194 0.6678 1.7939 1.9103 2.0883 2.1866 2.3205 2.3870 2.6493 2.6587 2.8867 2.9858 3.1042 3.1733 3.7792 3.8796 4.1531 4.1835 4.8449 4.9296 5.3323 5.3771 7.2797 7.3125 8.5191 8.5406 8.8120 8.8334 9.1613 9.1711 k = 0.2345 0.5965 0.3512 ( 15134 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.9795 -4.9761 -4.5252 -4.5247 -4.0356 -4.0344 -2.9251 -2.9236 -0.8862 -0.8213 0.6148 0.6643 1.7905 1.8970 2.0437 2.1475 2.3034 2.3978 2.6426 2.6641 2.8950 2.9783 3.1241 3.1931 3.7864 3.8931 4.1779 4.1922 4.7671 4.8549 5.3831 5.4127 7.3279 7.3690 8.5588 8.5785 8.8044 8.8289 9.1927 9.2053 k = 0.2150 0.5909 0.3580 ( 15132 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -5.0003 -4.9973 -4.5156 -4.5151 -4.0021 -4.0009 -2.9351 -2.9337 -0.8963 -0.8340 0.6076 0.6573 1.7893 1.8854 2.0001 2.1099 2.2783 2.4006 2.6319 2.6703 2.9168 2.9865 3.1517 3.2162 3.7882 3.9052 4.1933 4.2146 4.6889 4.7789 5.4165 5.4382 7.3867 7.4362 8.5990 8.6224 8.7981 8.8277 9.2306 9.2449 k = 0.1954 0.5854 0.3648 ( 15134 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -5.0202 -5.0175 -4.5110 -4.5107 -3.9607 -3.9594 -2.9482 -2.9470 -0.9064 -0.8474 0.5987 0.6476 1.7893 1.8744 1.9607 2.0764 2.2464 2.3922 2.6243 2.6759 2.9480 3.0077 3.1854 3.2422 3.7841 3.9146 4.2035 4.2497 4.6110 4.7025 5.4279 5.4560 7.4557 7.5133 8.6397 8.6684 8.7956 8.8346 9.2751 9.2903 k = 0.1759 0.5799 0.3716 ( 15131 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -5.0388 -5.0364 -4.5104 -4.5101 -3.9132 -3.9119 -2.9646 -2.9636 -0.9163 -0.8612 0.5890 0.6359 1.7885 1.8624 1.9286 2.0488 2.2102 2.3722 2.6222 2.6814 2.9842 3.0388 3.2244 3.2706 3.7747 3.9187 4.2193 4.2900 4.5342 4.6267 5.4208 5.4627 7.5344 7.5999 8.6783 8.7069 8.8017 8.8576 9.3244 9.3399 k = 0.1563 0.5743 0.3783 ( 15142 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -5.0558 -5.0537 -4.5125 -4.5122 -3.8616 -3.8602 -2.9843 -2.9834 -0.9257 -0.8751 0.5791 0.6229 1.7843 1.8488 1.9062 2.0284 2.1725 2.3436 2.6250 2.6863 3.0222 3.0770 3.2678 3.3011 3.7613 3.9152 4.2439 4.3329 4.4597 4.5530 5.3992 5.4557 7.6219 7.6950 8.7073 8.7279 8.8249 8.9035 9.3748 9.3898 k = 0.1368 0.5688 0.3851 ( 15147 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -5.0711 -5.0692 -4.5161 -4.5159 -3.8076 -3.8061 -3.0072 -3.0065 -0.9342 -0.8887 0.5695 0.6095 1.7752 1.8347 1.8937 2.0146 2.1360 2.3101 2.6306 2.6901 3.0602 3.1198 3.3147 3.3333 3.7454 3.9032 4.2775 4.3623 4.3989 4.4875 5.3656 5.4354 7.7176 7.7978 8.7220 8.7345 8.8667 8.9667 9.4202 9.4341 k = 0.1173 0.5633 0.3919 ( 15140 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -5.0845 -5.0829 -4.5204 -4.5203 -3.7528 -3.7512 -3.0330 -3.0325 -0.9417 -0.9016 0.5607 0.5961 1.7627 1.8203 1.8895 2.0054 2.1037 2.2750 2.6373 2.6924 3.0975 3.1644 3.3631 3.3671 3.7288 3.8836 4.2983 4.3273 4.3828 4.4713 5.3228 5.4034 7.8202 7.9070 8.7272 8.7348 8.9151 9.0346 9.4510 9.4639 k = 0.0977 0.5577 0.3987 ( 15150 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -5.0959 -5.0945 -4.5249 -4.5248 -3.6988 -3.6972 -3.0613 -3.0608 -0.9477 -0.9137 0.5532 0.5834 1.7505 1.8054 1.8910 1.9967 2.0796 2.2403 2.6441 2.6928 3.1340 3.2075 3.3995 3.4140 3.7138 3.8584 4.2395 4.3066 4.3889 4.5134 5.2738 5.3618 7.9284 8.0212 8.7281 8.7329 8.9536 9.0926 9.4558 9.4687 k = 0.0782 0.5522 0.4055 ( 15137 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -5.1053 -5.1042 -4.5290 -4.5290 -3.6472 -3.6456 -3.0909 -3.0903 -0.9522 -0.9246 0.5471 0.5717 1.7410 1.7905 1.8954 1.9844 2.0676 2.2074 2.6507 2.6915 3.1692 3.2454 3.4332 3.4619 3.7029 3.8296 4.1792 4.2453 4.4418 4.5639 5.2227 5.3133 8.0408 8.1382 8.7274 8.7305 8.9639 9.1184 9.4419 9.4518 k = 0.0586 0.5467 0.4122 ( 15141 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -5.1126 -5.1118 -4.5325 -4.5325 -3.6004 -3.5990 -3.1200 -3.1195 -0.9551 -0.9341 0.5429 0.5616 1.7354 1.7763 1.9014 1.9684 2.0673 2.1771 2.6570 2.6887 3.2027 3.2739 3.4667 3.5046 3.6984 3.7995 4.1268 4.1846 4.5003 4.6106 5.1748 5.2610 8.1549 8.2541 8.7261 8.7282 8.9347 9.0881 9.4378 9.4449 k = 0.0391 0.5411 0.4190 ( 15141 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -5.1178 -5.1172 -4.5352 -4.5351 -3.5614 -3.5603 -3.1460 -3.1455 -0.9561 -0.9420 0.5406 0.5532 1.7340 1.7633 1.9083 1.9520 2.0751 2.1499 2.6631 2.6848 3.2334 3.2895 3.4992 3.5369 3.7016 3.7707 4.0870 4.1310 4.5579 4.6451 5.1380 5.2090 8.2667 8.3604 8.7249 8.7264 8.8783 9.0101 9.4505 9.4549 k = 0.0195 0.5356 0.4258 ( 15136 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -5.1208 -5.1206 -4.5368 -4.5368 -3.5346 -3.5340 -3.1647 -3.1643 -0.9553 -0.9482 0.5405 0.5468 1.7367 1.7520 1.9163 1.9377 2.0882 2.1259 2.6690 2.6800 3.2600 3.2910 3.5283 3.5526 3.7116 3.7460 4.0654 4.0896 4.6088 4.6585 5.1215 5.1630 8.3679 8.4346 8.7241 8.7250 8.8312 8.9168 9.4648 9.4669 k = 0.0000 0.5301 0.4326 ( 15128 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -5.1218 -5.1218 -4.5373 -4.5373 -3.5247 -3.5247 -3.1715 -3.1715 -0.9527 -0.9527 0.5425 0.5425 1.7429 1.7429 1.9258 1.9258 2.1053 2.1053 2.6747 2.6747 3.2801 3.2801 3.5485 3.5485 3.7265 3.7265 4.0662 4.0662 4.6452 4.6452 5.1310 5.1310 8.4369 8.4369 8.7242 8.7242 8.8431 8.8431 9.4710 9.4710 k = 0.0000 0.5301 0.4326 ( 15128 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -5.1218 -5.1218 -4.5373 -4.5373 -3.5247 -3.5247 -3.1715 -3.1715 -0.9527 -0.9527 0.5425 0.5425 1.7429 1.7429 1.9258 1.9258 2.1053 2.1053 2.6747 2.6747 3.2801 3.2801 3.5485 3.5485 3.7265 3.7265 4.0662 4.0662 4.6452 4.6452 5.1310 5.1310 8.4369 8.4369 8.7242 8.7242 8.8431 8.8431 9.4710 9.4710 k = 0.0089 0.5175 0.4480 ( 15138 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -5.1209 -5.1207 -4.5366 -4.5365 -3.5257 -3.5254 -3.1723 -3.1722 -0.9553 -0.9529 0.5356 0.5375 1.7351 1.7435 1.9219 1.9317 2.1108 2.1134 2.6602 2.6693 3.2833 3.2908 3.5505 3.5549 3.7333 3.7342 4.0699 4.0704 4.6423 4.6478 5.1290 5.1295 8.4315 8.4381 8.7243 8.7270 8.8335 8.8374 9.4754 9.4782 k = 0.0179 0.5048 0.4635 ( 15142 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -5.1180 -5.1176 -4.5343 -4.5342 -3.5283 -3.5278 -3.1745 -3.1744 -0.9606 -0.9558 0.5173 0.5209 1.7189 1.7350 1.9222 1.9411 2.1297 2.1344 2.6279 2.6446 3.2989 3.3150 3.5610 3.5701 3.7535 3.7553 4.0819 4.0824 4.6390 4.6505 5.1235 5.1245 8.4226 8.4351 8.7277 8.7313 8.8110 8.8175 9.4893 9.4955 k = 0.0268 0.4922 0.4789 ( 15138 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -5.1132 -5.1126 -4.5305 -4.5303 -3.5326 -3.5319 -3.1782 -3.1781 -0.9684 -0.9614 0.4888 0.4938 1.6920 1.7141 1.9305 1.9572 2.1611 2.1672 2.5817 2.6041 3.3238 3.3495 3.5813 3.5951 3.7840 3.7863 4.1023 4.1028 4.6352 4.6536 5.1146 5.1159 8.4111 8.4282 8.7306 8.7338 8.7844 8.7874 9.5078 9.5190 k = 0.0357 0.4796 0.4944 ( 15144 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -5.1064 -5.1056 -4.5251 -4.5249 -3.5386 -3.5377 -3.1834 -3.1832 -0.9782 -0.9692 0.4518 0.4578 1.6537 1.6797 1.9479 1.9812 2.2030 2.2109 2.5258 2.5526 3.3552 3.3900 3.6128 3.6306 3.8209 3.8235 4.1298 4.1329 4.6311 4.6577 5.1023 5.1039 8.3981 8.4185 8.7065 8.7351 8.7578 8.7752 9.5245 9.5436 k = 0.0446 0.4670 0.5098 ( 15136 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -5.0977 -5.0966 -4.5183 -4.5180 -3.5463 -3.5451 -3.1902 -3.1899 -0.9898 -0.9789 0.4079 0.4146 1.6058 1.6339 1.9725 2.0115 2.2531 2.2639 2.4646 2.4961 3.3908 3.4324 3.6566 3.6766 3.8612 3.8631 4.1643 4.1720 4.6268 4.6639 5.0866 5.0885 8.3849 8.4070 8.6625 8.7021 8.7609 8.7828 9.5332 9.5638 k = 0.0536 0.4544 0.5253 ( 15138 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -5.0870 -5.0858 -4.5101 -4.5097 -3.5557 -3.5543 -3.1984 -3.1982 -1.0025 -0.9899 0.3589 0.3659 1.5505 1.5796 1.9998 2.0434 2.3062 2.3239 2.4041 2.4445 3.4293 3.4744 3.7120 3.7325 3.9025 3.9031 4.2044 4.2191 4.6230 4.6731 5.0679 5.0697 8.3722 8.3947 8.6124 8.6598 8.7737 8.7953 9.5302 9.5740 k = 0.0625 0.4418 0.5407 ( 15146 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -5.0744 -5.0730 -4.5005 -4.5001 -3.5668 -3.5651 -3.2083 -3.2079 -1.0159 -1.0019 0.3063 0.3133 1.4904 1.5196 2.0224 2.0676 2.3411 2.3455 2.3955 2.4276 3.4704 3.5160 3.7761 3.7967 3.9405 3.9467 4.2473 4.2715 4.6208 4.6870 5.0464 5.0475 8.3610 8.3826 8.5607 8.6171 8.7885 8.8096 9.5149 9.5701 k = 0.0714 0.4292 0.5562 ( 15144 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -5.0600 -5.0583 -4.4897 -4.4892 -3.5795 -3.5777 -3.2197 -3.2193 -1.0293 -1.0140 0.2512 0.2579 1.4273 1.4560 2.0276 2.0682 2.3142 2.3436 2.4648 2.4742 3.5143 3.5584 3.8439 3.8671 3.9766 3.9938 4.2901 4.3256 4.6221 4.7071 5.0223 5.0225 8.3518 8.3714 8.5095 8.5759 8.8043 8.8246 9.4887 9.5522 k = 0.0804 0.4166 0.5716 ( 15144 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -5.0437 -5.0418 -4.4778 -4.4772 -3.5938 -3.5918 -3.2327 -3.2323 -1.0422 -1.0259 0.1947 0.2010 1.3629 1.3908 2.0027 2.0350 2.3150 2.3646 2.5384 2.5425 3.5618 3.6030 3.9095 3.9404 4.0116 4.0479 4.3300 4.3760 4.6304 4.7346 4.9941 4.9969 8.3449 8.3617 8.4600 8.5369 8.8206 8.8397 9.4533 9.5230 k = 0.0893 0.4040 0.5871 ( 15140 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -5.0256 -5.0235 -4.4648 -4.4641 -3.6097 -3.6074 -3.2473 -3.2469 -1.0541 -1.0370 0.1375 0.1431 1.2985 1.3253 1.9509 1.9771 2.3462 2.4104 2.6133 2.6160 3.6133 3.6507 3.9678 4.0079 4.0514 4.1116 4.3657 4.4171 4.6502 4.7693 4.9633 4.9710 8.3393 8.3537 8.4139 8.5008 8.8371 8.8544 9.4103 9.4844 k = 0.0982 0.3914 0.6025 ( 15142 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -5.0057 -5.0034 -4.4510 -4.4502 -3.6269 -3.6245 -3.2636 -3.2631 -1.0644 -1.0467 0.0802 0.0850 1.2352 1.2607 1.8845 1.9069 2.3959 2.4706 2.6881 2.6911 3.6693 3.7021 4.0170 4.0490 4.1135 4.1838 4.3976 4.4455 4.6844 4.8079 4.9304 4.9480 8.3301 8.3472 8.3764 8.4679 8.8534 8.8684 9.3616 9.4385 k = 0.1071 0.3788 0.6180 ( 15146 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.9841 -4.9816 -4.4366 -4.4357 -3.6454 -3.6428 -3.2814 -3.2810 -1.0727 -1.0546 0.0231 0.0270 1.1741 1.1980 1.8114 1.8315 2.4559 2.5389 2.7616 2.7662 3.7299 3.7575 4.0585 4.0716 4.1866 4.2595 4.4279 4.4646 4.7301 4.8402 4.8965 4.9376 8.3038 8.3414 8.3603 8.4384 8.8694 8.8815 9.3090 9.3870 k = 0.1161 0.3662 0.6334 ( 15150 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.9609 -4.9582 -4.4218 -4.4208 -3.6648 -3.6621 -3.3009 -3.3004 -1.0787 -1.0603 -0.0334 -0.0306 1.1158 1.1380 1.7358 1.7543 2.5222 2.6122 2.8332 2.8403 3.7949 3.8167 4.0846 4.0928 4.2576 4.3321 4.4589 4.4832 4.7795 4.8482 4.8651 4.9575 8.2660 8.3347 8.3591 8.4129 8.8851 8.8935 9.2543 9.3321 k = 0.1250 0.3536 0.6489 ( 15144 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.9360 -4.9331 -4.4070 -4.4058 -3.6848 -3.6820 -3.3219 -3.3214 -1.0820 -1.0634 -0.0893 -0.0876 1.0612 1.0815 1.6598 1.6768 2.5925 2.6885 2.9023 2.9127 3.8637 3.8791 4.0893 4.1189 4.3212 4.3930 4.4928 4.5124 4.8044 4.8404 4.8614 4.9999 8.2268 8.3247 8.3609 8.3923 8.9007 8.9051 9.1990 9.2755 k = 0.1339 0.3409 0.6643 ( 15150 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.9096 -4.9065 -4.3926 -4.3912 -3.7050 -3.7022 -3.3444 -3.3439 -1.0824 -1.0637 -0.1444 -0.1439 1.0107 1.0292 1.5844 1.6003 2.6657 2.7666 2.9686 2.9830 3.9346 3.9432 4.0860 4.1350 4.3723 4.4382 4.5311 4.5566 4.7854 4.8362 4.9056 5.0480 8.1882 8.3095 8.3613 8.3762 8.9171 8.9174 9.1445 9.2187 k = 0.1429 0.3283 0.6798 ( 15142 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.8818 -4.8785 -4.3790 -4.3775 -3.7248 -3.7220 -3.3683 -3.3678 -1.0796 -1.0610 -0.1995 -0.1987 0.9650 0.9816 1.5104 1.5252 2.7408 2.8458 3.0320 3.0511 4.0048 4.0066 4.0757 4.1404 4.4070 4.4764 4.5750 4.6004 4.7723 4.8445 4.9556 5.0951 8.1508 8.2893 8.3573 8.3622 8.9321 8.9354 9.0921 9.1633 k = 0.1518 0.3157 0.6952 ( 15144 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.8526 -4.8491 -4.3670 -4.3652 -3.7437 -3.7409 -3.3936 -3.3930 -1.0735 -1.0550 -0.2543 -0.2522 0.9245 0.9392 1.4385 1.4523 2.8172 2.9253 3.0928 3.1171 4.0559 4.0630 4.0727 4.1387 4.4275 4.5155 4.6219 4.6240 4.7881 4.8675 5.0026 5.1386 8.1147 8.2656 8.3466 8.3469 8.9501 8.9571 9.0438 9.1103 k = 0.1607 0.3031 0.7107 ( 15128 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.8221 -4.8185 -4.3571 -4.3550 -3.7607 -3.7580 -3.4200 -3.4195 -1.0640 -1.0457 -0.3083 -0.3049 0.8896 0.9023 1.3690 1.3818 2.8944 3.0045 3.1511 3.1811 4.0357 4.0895 4.1215 4.1500 4.4446 4.5542 4.6262 4.6766 4.8310 4.9027 5.0446 5.1768 8.0801 8.2395 8.3277 8.3278 8.9642 8.9823 9.0089 9.0616 k = 0.1696 0.2905 0.7261 ( 15124 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.7906 -4.7868 -4.3502 -4.3478 -3.7751 -3.7726 -3.4475 -3.4470 -1.0511 -1.0330 -0.3615 -0.3568 0.8606 0.8714 1.3022 1.3142 2.9719 3.0830 3.2071 3.2435 4.0091 4.0754 4.1466 4.1800 4.4740 4.5818 4.6457 4.7310 4.8830 4.9449 5.0807 5.2086 8.0472 8.2119 8.3011 8.3042 8.9421 9.0003 9.0194 9.0281 k = 0.1786 0.2779 0.7416 ( 15118 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.7580 -4.7540 -4.3471 -4.3443 -3.7859 -3.7836 -3.4759 -3.4754 -1.0348 -1.0170 -0.4140 -0.4080 0.8377 0.8466 1.2386 1.2497 3.0496 3.1602 3.2613 3.3048 3.9788 4.0474 4.1418 4.1958 4.5240 4.6036 4.6892 4.7859 4.9338 4.9893 5.1100 5.2330 8.0165 8.1833 8.2677 8.2768 8.9081 8.9702 9.0472 9.0473 k = 0.1875 0.2653 0.7570 ( 15124 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.7246 -4.7205 -4.3484 -4.3453 -3.7923 -3.7903 -3.5050 -3.5045 -1.0152 -0.9977 -0.4656 -0.4583 0.8210 0.8281 1.1783 1.1885 3.1269 3.2356 3.3138 3.3652 3.9452 4.0134 4.1135 4.1882 4.5898 4.6383 4.7414 4.8400 4.9791 5.0322 5.1320 5.2494 7.9886 8.1545 8.2298 8.2470 8.8780 8.9365 9.0678 9.0686 k = 0.1964 0.2527 0.7725 ( 15114 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.6905 -4.6863 -4.3547 -4.3513 -3.7938 -3.7921 -3.5346 -3.5341 -0.9922 -0.9751 -0.5162 -0.5078 0.8105 0.8159 1.1217 1.1310 3.2038 3.3087 3.3648 3.4255 3.9089 3.9753 4.0707 4.1604 4.6635 4.6874 4.7955 4.8922 5.0168 5.0712 5.1464 5.2574 7.9641 8.1262 8.1896 8.2168 8.8540 8.9084 9.0709 9.0716 k = 0.2054 0.2401 0.7879 ( 15116 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.6560 -4.6516 -4.3662 -4.3624 -3.7902 -3.7887 -3.5644 -3.5639 -0.9661 -0.9493 -0.5658 -0.5563 0.8064 0.8101 1.0690 1.0774 3.2798 3.3789 3.4145 3.4859 3.8702 3.9344 4.0196 4.1188 4.7393 4.7448 4.8489 4.9413 5.0453 5.1045 5.1530 5.2566 7.9438 8.0996 8.1495 8.1879 8.8372 8.8871 9.0527 9.0535 k = 0.2143 0.2275 0.8034 ( 15114 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.6212 -4.6168 -4.3826 -4.3786 -3.7814 -3.7801 -3.5942 -3.5936 -0.9369 -0.9206 -0.6142 -0.6037 0.8084 0.8106 1.0204 1.0279 3.3546 3.4455 3.4626 3.5467 3.8292 3.8914 3.9638 4.0687 4.8051 4.8132 4.8995 4.9863 5.0636 5.1312 5.1520 5.2470 7.9281 8.0758 8.1117 8.1619 8.8279 8.8730 9.0189 9.0227 k = 0.2232 0.2149 0.8188 ( 15116 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.5866 -4.5820 -4.4035 -4.3993 -3.7679 -3.7669 -3.6236 -3.6230 -0.9048 -0.8890 -0.6612 -0.6498 0.8165 0.8173 0.9763 0.9828 3.4278 3.5082 3.5087 3.6074 3.7860 3.8474 3.9067 4.0135 4.8645 4.8818 4.9455 5.0263 5.0707 5.1446 5.1506 5.2290 7.9173 8.0558 8.0784 8.1403 8.8266 8.8665 8.9793 8.9871 k = 0.2321 0.2023 0.8343 ( 15118 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.5523 -4.5477 -4.4283 -4.4239 -3.7504 -3.7495 -3.6522 -3.6517 -0.8701 -0.8548 -0.7066 -0.6944 0.8299 0.8304 0.9367 0.9423 3.4983 3.5513 3.5665 3.6648 3.7401 3.8052 3.8522 3.9562 4.9199 4.9408 4.9849 5.0612 5.0653 5.1328 5.1625 5.2040 7.9109 8.0408 8.0519 8.1240 8.8332 8.8677 8.9401 8.9528 k = 0.2411 0.1896 0.8497 ( 15128 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.5189 -4.5143 -4.4561 -4.4517 -3.7294 -3.7287 -3.6798 -3.6791 -0.8331 -0.8183 -0.7501 -0.7372 0.8484 0.8499 0.9022 0.9069 3.5641 3.5862 3.6189 3.6909 3.7019 3.7800 3.8082 3.9011 4.9686 4.9832 5.0139 5.0474 5.0925 5.1206 5.1616 5.1805 7.9080 8.0314 8.0344 8.1140 8.8472 8.8760 8.9054 8.9235 k = 0.2500 0.1770 0.8652 ( 15132 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.4895 -4.4838 -4.4838 -4.4803 -3.7062 -3.7062 -3.7051 -3.7038 -0.8005 -0.7849 -0.7849 -0.7726 0.8703 0.8703 0.8748 0.8812 3.5979 3.6137 3.6504 3.6504 3.6952 3.7897 3.7897 3.8695 4.9990 4.9991 5.0251 5.0277 5.1147 5.1147 5.1435 5.1772 7.9072 8.0283 8.0283 8.1106 8.8606 8.8849 8.8849 8.9075 k = 0.2500 0.1770 0.8652 ( 15132 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.4895 -4.4838 -4.4838 -4.4803 -3.7062 -3.7062 -3.7051 -3.7038 -0.8005 -0.7849 -0.7849 -0.7726 0.8703 0.8703 0.8748 0.8812 3.5979 3.6137 3.6504 3.6504 3.6952 3.7897 3.7897 3.8695 4.9990 4.9991 5.0251 5.0277 5.1147 5.1147 5.1435 5.1772 7.9072 8.0283 8.0283 8.1106 8.8606 8.8849 8.8849 8.9075 k = 0.2647 0.1875 0.8524 ( 15136 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.5044 -4.4998 -4.4694 -4.4652 -3.7195 -3.7189 -3.6909 -3.6902 -0.8184 -0.8038 -0.7681 -0.7551 0.8624 0.8639 0.8917 0.8947 3.5513 3.5659 3.5802 3.6341 3.7320 3.8272 3.8353 3.9219 4.9899 4.9903 5.0232 5.0361 5.1079 5.1162 5.1541 5.1788 7.9029 8.0249 8.0262 8.1072 8.8555 8.8809 8.8941 8.9135 k = 0.2794 0.1979 0.8396 ( 15125 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.5202 -4.5160 -4.4552 -4.4513 -3.7320 -3.7314 -3.6760 -3.6755 -0.8428 -0.8282 -0.7465 -0.7339 0.8620 0.8661 0.9151 0.9165 3.4599 3.4790 3.5108 3.5581 3.7694 3.8524 3.9602 4.0315 4.9716 4.9753 5.0156 5.0461 5.1004 5.1176 5.1730 5.1837 7.8883 8.0125 8.0227 8.0986 8.8497 8.8771 8.9110 8.9252 k = 0.2941 0.2083 0.8269 ( 15129 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.5344 -4.5305 -4.4437 -4.4399 -3.7431 -3.7425 -3.6620 -3.6615 -0.8668 -0.8522 -0.7257 -0.7138 0.8714 0.8782 0.9426 0.9433 3.3647 3.3813 3.4334 3.4707 3.8112 3.8825 4.0859 4.1441 4.9535 4.9580 5.0038 5.0504 5.0948 5.1180 5.1927 5.1935 7.8624 7.9886 8.0196 8.0881 8.8481 8.8772 8.9317 8.9397 k = 0.3088 0.2187 0.8141 ( 15133 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.5470 -4.5433 -4.4345 -4.4311 -3.7527 -3.7521 -3.6494 -3.6490 -0.8886 -0.8741 -0.7062 -0.6950 0.8897 0.8989 0.9741 0.9745 3.2686 3.2825 3.3506 3.3811 3.8539 3.9154 4.2017 4.2475 4.9373 4.9412 4.9905 5.0493 5.0893 5.1169 5.2064 5.2141 7.8261 7.9524 8.0175 8.0781 8.8513 8.8821 8.9559 8.9570 k = 0.3235 0.2291 0.8014 ( 15124 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.5578 -4.5544 -4.4277 -4.4245 -3.7608 -3.7604 -3.6391 -3.6388 -0.9066 -0.8923 -0.6879 -0.6777 0.9156 0.9271 1.0094 1.0098 3.1731 3.1843 3.2659 3.2916 3.8961 3.9488 4.3014 4.3353 4.9234 4.9265 4.9792 5.0451 5.0832 5.1149 5.2245 5.2343 7.7824 7.9062 8.0159 8.0692 8.8597 8.8921 8.9777 8.9839 k = 0.3382 0.2395 0.7886 ( 15120 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.5667 -4.5636 -4.4230 -4.4200 -3.7675 -3.7671 -3.6317 -3.6314 -0.9194 -0.9054 -0.6711 -0.6619 0.9478 0.9615 1.0478 1.0487 3.0791 3.0880 3.1817 3.2038 3.9371 3.9809 4.3780 4.4026 4.9113 4.9140 4.9743 5.0398 5.0765 5.1133 5.2469 5.2545 7.7348 7.8537 8.0142 8.0609 8.8732 8.9073 9.0020 9.0155 k = 0.3529 0.2499 0.7758 ( 15120 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.5737 -4.5710 -4.4203 -4.4176 -3.7727 -3.7724 -3.6278 -3.6275 -0.9260 -0.9124 -0.6556 -0.6476 0.9851 1.0008 1.0890 1.0907 2.9876 2.9945 3.0995 3.1188 3.9760 4.0107 4.4258 4.4466 4.8997 4.9020 4.9800 5.0348 5.0699 5.1129 5.2739 5.2754 7.6875 7.7995 8.0118 8.0526 8.8916 8.9275 9.0298 9.0503 k = 0.3676 0.2604 0.7631 ( 15123 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.5788 -4.5764 -4.4196 -4.4172 -3.7764 -3.7762 -3.6277 -3.6274 -0.9255 -0.9122 -0.6415 -0.6348 1.0261 1.0435 1.1322 1.1349 2.8997 2.9049 3.0207 3.0376 4.0122 4.0369 4.4438 4.4673 4.8876 4.8892 4.9951 5.0305 5.0645 5.1126 5.2978 5.3048 7.6449 7.7479 8.0084 8.0440 8.9147 8.9525 9.0607 9.0873 k = 0.3824 0.2708 0.7503 ( 15137 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.5818 -4.5797 -4.4210 -4.4188 -3.7786 -3.7784 -3.6314 -3.6311 -0.9170 -0.9042 -0.6288 -0.6234 1.0694 1.0883 1.1765 1.1806 2.8164 2.8202 2.9466 2.9614 4.0449 4.0585 4.4362 4.4678 4.8750 4.8758 5.0118 5.0271 5.0618 5.1108 5.3215 5.3365 7.6115 7.7038 8.0038 8.0350 8.9420 8.9816 9.0934 9.1252 k = 0.3971 0.2812 0.7375 ( 15142 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.5828 -4.5811 -4.4245 -4.4225 -3.7792 -3.7791 -3.6390 -3.6386 -0.9005 -0.8882 -0.6174 -0.6133 1.1137 1.1337 1.2210 1.2264 2.7390 2.7415 2.8783 2.8912 4.0732 4.0745 4.4097 4.4520 4.8627 4.8628 5.0223 5.0246 5.0629 5.1060 5.3441 5.3636 7.5917 7.6713 7.9982 8.0254 8.9728 9.0142 9.1264 9.1621 k = 0.4118 0.2916 0.7248 ( 15133 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.5818 -4.5803 -4.4303 -4.4285 -3.7783 -3.7783 -3.6498 -3.6494 -0.8757 -0.8639 -0.6073 -0.6047 1.1575 1.1781 1.2643 1.2711 2.6687 2.6704 2.8174 2.8283 4.0839 4.0961 4.3700 4.4235 4.8507 4.8522 5.0222 5.0249 5.0663 5.0988 5.3611 5.3804 7.5887 7.6544 7.9915 8.0154 9.0063 9.0492 9.1573 9.1956 k = 0.4265 0.3020 0.7120 ( 15134 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.5786 -4.5775 -4.4387 -4.4371 -3.7760 -3.7759 -3.6634 -3.6630 -0.8429 -0.8318 -0.5984 -0.5973 1.1995 1.2200 1.3051 1.3130 2.6073 2.6083 2.7650 2.7740 4.0862 4.1127 4.3213 4.3851 4.8406 4.8444 5.0171 5.0203 5.0709 5.0922 5.3671 5.3825 7.6049 7.6558 7.9839 8.0050 9.0413 9.0853 9.1833 9.2232 k = 0.4412 0.3124 0.6993 ( 15136 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.5733 -4.5725 -4.4499 -4.4486 -3.7721 -3.7719 -3.6790 -3.6785 -0.8025 -0.7922 -0.5913 -0.5909 1.2382 1.2575 1.3416 1.3502 2.5565 2.5568 2.7225 2.7296 4.0810 4.1218 4.2666 4.3390 4.8333 4.8401 5.0045 5.0078 5.0785 5.0914 5.3583 5.3677 7.6404 7.6764 7.9758 7.9942 9.0761 9.1210 9.2014 9.2424 k = 0.4559 0.3228 0.6865 ( 15139 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.5658 -4.5654 -4.4644 -4.4633 -3.7667 -3.7664 -3.6955 -3.6950 -0.7554 -0.7459 -0.5866 -0.5847 1.2723 1.2894 1.3724 1.3809 2.5178 2.5179 2.6911 2.6962 4.0684 4.1218 4.2090 4.2868 4.8295 4.8396 4.9821 4.9874 5.0904 5.0990 5.3330 5.3360 7.6932 7.7152 7.9676 7.9836 9.1089 9.1543 9.2089 9.2514 k = 0.4706 0.3333 0.6737 ( 15136 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.5563 -4.5561 -4.4825 -4.4816 -3.7598 -3.7594 -3.7121 -3.7115 -0.7024 -0.6938 -0.5832 -0.5799 1.3008 1.3140 1.3963 1.4035 2.4927 2.4928 2.6716 2.6747 4.0492 4.1059 4.1565 4.2296 4.8290 4.8418 4.9519 4.9602 5.1062 5.1131 5.2900 5.2923 7.7591 7.7689 7.9606 7.9741 9.1369 9.1827 9.2048 9.2492 k = 0.4853 0.3437 0.6610 ( 15130 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.5448 -4.5446 -4.5045 -4.5038 -3.7514 -3.7509 -3.7276 -3.7270 -0.6447 -0.6375 -0.5807 -0.5761 1.3230 1.3306 1.4128 1.4173 2.4820 2.4822 2.6645 2.6658 4.0242 4.0587 4.1259 4.1686 4.8306 4.8429 4.9191 4.9286 5.1237 5.1298 5.2348 5.2399 7.8295 7.8303 7.9589 7.9686 9.1564 9.1879 9.2049 9.2364 k = 0.5000 0.3541 0.6482 ( 15150 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.5335 -4.5335 -4.5278 -4.5278 -3.7418 -3.7418 -3.7404 -3.7404 -0.5880 -0.5880 -0.5694 -0.5694 1.3383 1.3383 1.4229 1.4229 2.4854 2.4854 2.6694 2.6694 3.9943 3.9943 4.1048 4.1048 4.8279 4.8279 4.8990 4.8990 5.1294 5.1294 5.1925 5.1925 7.8818 7.8818 7.9796 7.9796 9.1626 9.1626 9.2142 9.2142 k = 0.5000 0.3541 0.6482 ( 15150 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.5335 -4.5335 -4.5278 -4.5278 -3.7418 -3.7418 -3.7404 -3.7404 -0.5880 -0.5880 -0.5694 -0.5694 1.3383 1.3383 1.4229 1.4229 2.4854 2.4854 2.6694 2.6694 3.9943 3.9943 4.1048 4.1048 4.8279 4.8279 4.8990 4.8990 5.1294 5.1294 5.1925 5.1925 7.8818 7.8818 7.9796 7.9796 9.1626 9.1626 9.2142 9.2142 k = 0.5000 0.3541 0.6266 ( 15142 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.5460 -4.5460 -4.5405 -4.5405 -3.7419 -3.7419 -3.7405 -3.7405 -0.5354 -0.5354 -0.5149 -0.5149 1.3523 1.3523 1.4318 1.4318 2.5030 2.5030 2.6871 2.6871 3.9099 3.9099 4.0314 4.0315 4.7932 4.7932 4.8727 4.8727 5.0901 5.0901 5.1575 5.1575 7.9367 7.9367 8.0370 8.0370 9.1227 9.1227 9.1816 9.1816 k = 0.5000 0.3541 0.6050 ( 15138 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.5608 -4.5608 -4.5555 -4.5555 -3.7390 -3.7390 -3.7376 -3.7376 -0.4827 -0.4827 -0.4603 -0.4603 1.3688 1.3688 1.4425 1.4425 2.5219 2.5219 2.7063 2.7063 3.8261 3.8261 3.9583 3.9583 4.7572 4.7572 4.8453 4.8453 5.0513 5.0513 5.1226 5.1226 7.9865 7.9865 8.0892 8.0892 9.0634 9.0634 9.1278 9.1278 k = 0.5000 0.3541 0.5834 ( 15130 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.5777 -4.5777 -4.5728 -4.5728 -3.7327 -3.7327 -3.7313 -3.7313 -0.4312 -0.4312 -0.4067 -0.4067 1.3884 1.3884 1.4556 1.4556 2.5422 2.5422 2.7267 2.7267 3.7442 3.7442 3.8866 3.8866 4.7203 4.7203 4.8171 4.8171 5.0133 5.0133 5.0880 5.0880 8.0290 8.0290 8.1337 8.1337 8.9922 8.9922 9.0584 9.0584 k = 0.5000 0.3541 0.5618 ( 15134 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.5968 -4.5968 -4.5921 -4.5921 -3.7229 -3.7229 -3.7215 -3.7215 -0.3822 -0.3822 -0.3554 -0.3554 1.4117 1.4117 1.4715 1.4715 2.5636 2.5636 2.7483 2.7483 3.6655 3.6655 3.8174 3.8174 4.6827 4.6827 4.7882 4.7882 4.9763 4.9763 5.0539 5.0539 8.0616 8.0616 8.1672 8.1672 8.9157 8.9157 8.9790 8.9790 k = 0.5000 0.3541 0.5402 ( 15126 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.6178 -4.6178 -4.6134 -4.6134 -3.7096 -3.7096 -3.7081 -3.7081 -0.3371 -0.3371 -0.3079 -0.3079 1.4394 1.4394 1.4910 1.4910 2.5862 2.5862 2.7709 2.7709 3.5910 3.5910 3.7518 3.7518 4.6447 4.6447 4.7587 4.7587 4.9404 4.9404 5.0205 5.0205 8.0820 8.0820 8.1865 8.1865 8.8385 8.8385 8.8944 8.8944 k = 0.5000 0.3541 0.5186 ( 15134 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.6405 -4.6405 -4.6363 -4.6363 -3.6927 -3.6927 -3.6913 -3.6913 -0.2973 -0.2973 -0.2656 -0.2656 1.4721 1.4721 1.5149 1.5149 2.6097 2.6097 2.7945 2.7945 3.5216 3.5216 3.6905 3.6905 4.6066 4.6066 4.7290 4.7290 4.9060 4.9060 4.9879 4.9879 8.0875 8.0875 8.1886 8.1886 8.7642 8.7642 8.8082 8.8082 k = 0.5000 0.3541 0.4970 ( 15124 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.6645 -4.6645 -4.6606 -4.6606 -3.6725 -3.6725 -3.6710 -3.6710 -0.2639 -0.2639 -0.2297 -0.2297 1.5103 1.5103 1.5439 1.5439 2.6341 2.6341 2.8188 2.8188 3.4580 3.4580 3.6343 3.6343 4.5687 4.5687 4.6993 4.6993 4.8731 4.8731 4.9562 4.9562 8.0764 8.0764 8.1714 8.1714 8.6947 8.6947 8.7236 8.7236 k = 0.5000 0.3541 0.4754 ( 15126 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.6896 -4.6896 -4.6860 -4.6860 -3.6490 -3.6490 -3.6475 -3.6475 -0.2381 -0.2381 -0.2015 -0.2015 1.5543 1.5543 1.5793 1.5793 2.6592 2.6593 2.8436 2.8436 3.4007 3.4007 3.5838 3.5838 4.5313 4.5313 4.6697 4.6697 4.8417 4.8417 4.9255 4.9255 8.0479 8.0479 8.1350 8.1350 8.6281 8.6281 8.6438 8.6438 k = 0.5000 0.3541 0.4538 ( 15126 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.7155 -4.7155 -4.7121 -4.7121 -3.6226 -3.6226 -3.6211 -3.6211 -0.2206 -0.2206 -0.1819 -0.1819 1.6037 1.6037 1.6224 1.6224 2.6849 2.6849 2.8689 2.8689 3.3504 3.3504 3.5393 3.5393 4.4947 4.4947 4.6406 4.6406 4.8120 4.8120 4.8960 4.8960 8.0028 8.0028 8.0819 8.0819 8.5553 8.5553 8.5755 8.5755 k = 0.5000 0.3541 0.4321 ( 15140 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.7418 -4.7418 -4.7386 -4.7386 -3.5934 -3.5934 -3.5920 -3.5920 -0.2120 -0.2120 -0.1715 -0.1714 1.6565 1.6565 1.6755 1.6755 2.7109 2.7109 2.8942 2.8942 3.3071 3.3071 3.5012 3.5012 4.4590 4.4590 4.6120 4.6120 4.7841 4.7841 4.8677 4.8677 7.9437 7.9437 8.0157 8.0157 8.4782 8.4782 8.5127 8.5127 k = 0.5000 0.3541 0.4105 ( 15126 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.7682 -4.7682 -4.7653 -4.7653 -3.5618 -3.5618 -3.5603 -3.5603 -0.2123 -0.2123 -0.1705 -0.1705 1.7127 1.7127 1.7386 1.7386 2.7371 2.7371 2.9193 2.9193 3.2713 3.2713 3.4693 3.4693 4.4245 4.4245 4.5844 4.5844 4.7579 4.7579 4.8408 4.8408 7.8743 7.8743 7.9403 7.9403 8.4000 8.4000 8.4473 8.4473 k = 0.5000 0.3541 0.3889 ( 15142 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.7946 -4.7946 -4.7918 -4.7918 -3.5279 -3.5279 -3.5265 -3.5265 -0.2214 -0.2214 -0.1788 -0.1788 1.7736 1.7736 1.8096 1.8096 2.7632 2.7632 2.9440 2.9440 3.2430 3.2430 3.4439 3.4439 4.3914 4.3914 4.5578 4.5578 4.7337 4.7337 4.8153 4.8153 7.7982 7.7982 7.8590 7.8590 8.3200 8.3200 8.3768 8.3768 k = 0.5000 0.3541 0.3673 ( 15136 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.8205 -4.8205 -4.8179 -4.8179 -3.4920 -3.4920 -3.4908 -3.4908 -0.2386 -0.2386 -0.1960 -0.1960 1.8395 1.8395 1.8870 1.8870 2.7890 2.7890 2.9677 2.9677 3.2222 3.2222 3.4246 3.4246 4.3600 4.3600 4.5325 4.5325 4.7114 4.7114 4.7915 4.7915 7.7183 7.7183 7.7743 7.7743 8.2375 8.2375 8.3003 8.3003 k = 0.5000 0.3541 0.3457 ( 15148 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.8459 -4.8459 -4.8435 -4.8435 -3.4546 -3.4546 -3.4534 -3.4534 -0.2632 -0.2632 -0.2212 -0.2212 1.9100 1.9100 1.9695 1.9695 2.8141 2.8142 2.9902 2.9902 3.2089 3.2089 3.4113 3.4113 4.3304 4.3304 4.5087 4.5087 4.6912 4.6912 4.7695 4.7695 7.6370 7.6370 7.6881 7.6881 8.1525 8.1525 8.2184 8.2184 k = 0.5000 0.3541 0.3241 ( 15140 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.8705 -4.8705 -4.8682 -4.8682 -3.4158 -3.4158 -3.4147 -3.4147 -0.2943 -0.2943 -0.2533 -0.2533 1.9841 1.9841 2.0559 2.0559 2.8383 2.8383 3.0112 3.0112 3.2030 3.2030 3.4035 3.4035 4.3029 4.3029 4.4863 4.4863 4.6732 4.6732 4.7493 4.7493 7.5558 7.5558 7.6020 7.6020 8.0655 8.0655 8.1322 8.1322 k = 0.5000 0.3541 0.3025 ( 15142 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.8941 -4.8941 -4.8920 -4.8920 -3.3760 -3.3760 -3.3750 -3.3750 -0.3308 -0.3308 -0.2914 -0.2914 2.0607 2.0607 2.1450 2.1451 2.8612 2.8612 3.0304 3.0304 3.2040 3.2040 3.4009 3.4009 4.2777 4.2777 4.4655 4.4655 4.6574 4.6574 4.7312 4.7312 7.4759 7.4759 7.5170 7.5170 7.9772 7.9772 8.0430 8.0430 k = 0.5000 0.3541 0.2809 ( 15156 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.9166 -4.9166 -4.9147 -4.9147 -3.3355 -3.3355 -3.3347 -3.3347 -0.3715 -0.3715 -0.3341 -0.3341 2.1387 2.1387 2.2357 2.2357 2.8824 2.8824 3.0480 3.0480 3.2112 3.2112 3.4029 3.4029 4.2550 4.2550 4.4463 4.4463 4.6441 4.6441 4.7153 4.7153 7.3982 7.3982 7.4340 7.4340 7.8889 7.8889 7.9524 7.9524 k = 0.5000 0.3541 0.2593 ( 15152 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.9379 -4.9379 -4.9362 -4.9362 -3.2948 -3.2948 -3.2942 -3.2942 -0.4154 -0.4154 -0.3802 -0.3802 2.2168 2.2168 2.3265 2.3265 2.9016 2.9016 3.0643 3.0643 3.2236 3.2236 3.4089 3.4089 4.2352 4.2352 4.4287 4.4287 4.6334 4.6334 4.7018 4.7018 7.3230 7.3230 7.3537 7.3537 7.8016 7.8016 7.8619 7.8619 k = 0.5000 0.3541 0.2377 ( 15158 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.9579 -4.9579 -4.9563 -4.9563 -3.2543 -3.2543 -3.2538 -3.2538 -0.4613 -0.4613 -0.4286 -0.4286 2.2938 2.2938 2.4160 2.4160 2.9187 2.9187 3.0796 3.0796 3.2402 3.2402 3.4183 3.4183 4.2184 4.2184 4.4124 4.4124 4.6253 4.6253 4.6907 4.6907 7.2508 7.2508 7.2765 7.2765 7.7164 7.7164 7.7727 7.7727 k = 0.5000 0.3541 0.2161 ( 15156 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.9764 -4.9764 -4.9749 -4.9749 -3.2144 -3.2144 -3.2140 -3.2140 -0.5081 -0.5081 -0.4781 -0.4781 2.3687 2.3687 2.5029 2.5029 2.9334 2.9334 3.0939 3.0939 3.2599 3.2599 3.4303 3.4303 4.2050 4.2050 4.3973 4.3973 4.6201 4.6201 4.6823 4.6823 7.1818 7.1818 7.2031 7.2031 7.6346 7.6346 7.6863 7.6863 k = 0.5000 0.3541 0.1945 ( 15156 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.9934 -4.9934 -4.9920 -4.9920 -3.1756 -3.1756 -3.1753 -3.1753 -0.5547 -0.5547 -0.5275 -0.5275 2.4404 2.4404 2.5857 2.5857 2.9459 2.9459 3.1071 3.1071 3.2821 3.2821 3.4441 3.4441 4.1952 4.1952 4.3832 4.3832 4.6179 4.6179 4.6765 4.6765 7.1158 7.1158 7.1338 7.1338 7.5572 7.5572 7.6038 7.6038 k = 0.5000 0.3541 0.1729 ( 15160 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -5.0087 -5.0087 -5.0075 -5.0075 -3.1385 -3.1385 -3.1383 -3.1383 -0.6000 -0.6000 -0.5756 -0.5756 2.5082 2.5082 2.6629 2.6629 2.9561 2.9561 3.1187 3.1187 3.3061 3.3061 3.4585 3.4585 4.1893 4.1893 4.3698 4.3698 4.6185 4.6185 4.6732 4.6732 7.0531 7.0531 7.0692 7.0692 7.4853 7.4853 7.5265 7.5265 k = 0.5000 0.3541 0.1513 ( 15154 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -5.0224 -5.0224 -5.0214 -5.0214 -3.1036 -3.1036 -3.1035 -3.1035 -0.6429 -0.6429 -0.6215 -0.6215 2.5712 2.5712 2.7330 2.7330 2.9648 2.9648 3.1280 3.1280 3.3314 3.3314 3.4726 3.4726 4.1873 4.1873 4.3567 4.3567 4.6219 4.6219 4.6724 4.6724 6.9938 6.9938 7.0097 7.0097 7.4199 7.4199 7.4555 7.4555 k = 0.5000 0.3541 0.1296 ( 15182 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -5.0343 -5.0343 -5.0335 -5.0335 -3.0717 -3.0717 -3.0715 -3.0715 -0.6825 -0.6825 -0.6641 -0.6640 2.6291 2.6291 2.7938 2.7938 2.9727 2.9727 3.1344 3.1344 3.3575 3.3575 3.4853 3.4853 4.1892 4.1892 4.3437 4.3437 4.6278 4.6278 4.6736 4.6736 6.9388 6.9388 6.9553 6.9553 7.3621 7.3621 7.3919 7.3919 k = 0.5000 0.3541 0.1080 ( 15164 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -5.0445 -5.0445 -5.0438 -5.0438 -3.0432 -3.0432 -3.0430 -3.0430 -0.7177 -0.7177 -0.7023 -0.7023 2.6816 2.6816 2.8425 2.8425 2.9823 2.9823 3.1375 3.1375 3.3836 3.3836 3.4956 3.4956 4.1948 4.1948 4.3306 4.3306 4.6358 4.6358 4.6761 4.6761 6.8894 6.8894 6.9064 6.9064 7.3125 7.3125 7.3367 7.3367 k = 0.5000 0.3541 0.0864 ( 15164 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -5.0529 -5.0529 -5.0523 -5.0523 -3.0188 -3.0188 -3.0186 -3.0186 -0.7477 -0.7477 -0.7353 -0.7353 2.7285 2.7285 2.8749 2.8749 2.9972 2.9972 3.1369 3.1369 3.4090 3.4090 3.5025 3.5025 4.2037 4.2037 4.3170 4.3171 4.6451 4.6451 4.6792 4.6792 6.8470 6.8470 6.8634 6.8634 7.2718 7.2718 7.2906 7.2906 k = 0.5000 0.3541 0.0648 ( 15188 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -5.0594 -5.0594 -5.0589 -5.0589 -2.9991 -2.9991 -2.9990 -2.9990 -0.7716 -0.7716 -0.7623 -0.7623 2.7698 2.7698 2.8891 2.8891 3.0193 3.0193 3.1322 3.1322 3.4329 3.4329 3.5054 3.5054 4.2152 4.2152 4.3031 4.3031 4.6549 4.6549 4.6818 4.6818 6.8129 6.8129 6.8272 6.8272 7.2403 7.2403 7.2540 7.2540 k = 0.5000 0.3541 0.0432 ( 15178 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -5.0640 -5.0640 -5.0637 -5.0637 -2.9846 -2.9846 -2.9845 -2.9845 -0.7888 -0.7888 -0.7826 -0.7826 2.8054 2.8054 2.8884 2.8884 3.0453 3.0453 3.1233 3.1233 3.4543 3.4543 3.5039 3.5039 4.2286 4.2286 4.2886 4.2886 4.6644 4.6644 4.6830 4.6831 6.7885 6.7885 6.7991 6.7991 7.2183 7.2183 7.2272 7.2272 k = 0.5000 0.3541 0.0216 ( 15158 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -5.0668 -5.0668 -5.0666 -5.0666 -2.9758 -2.9758 -2.9757 -2.9757 -0.7987 -0.7987 -0.7956 -0.7956 2.8354 2.8354 2.8777 2.8777 3.0704 3.0704 3.1100 3.1100 3.4727 3.4727 3.4979 3.4979 4.2433 4.2433 4.2736 4.2736 4.6725 4.6725 4.6821 4.6821 6.7747 6.7747 6.7804 6.7804 7.2059 7.2060 7.2103 7.2103 k = 0.5000 0.3541-0.0000 ( 15158 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -5.0677 -5.0677 -5.0677 -5.0677 -2.9727 -2.9727 -2.9727 -2.9727 -0.8010 -0.8010 -0.8010 -0.8010 2.8597 2.8597 2.8597 2.8597 3.0923 3.0923 3.0923 3.0923 3.4874 3.4874 3.4874 3.4874 4.2584 4.2584 4.2584 4.2584 4.6786 4.6786 4.6786 4.6786 6.7720 6.7720 6.7720 6.7720 7.2032 7.2032 7.2032 7.2032 k = 0.0000 0.0000 0.8652 ( 15162 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.4937 -4.4937 -4.4869 -4.4869 -3.6896 -3.6896 -3.6884 -3.6884 -0.9029 -0.9029 -0.8935 -0.8935 1.2828 1.2828 1.3876 1.3876 2.3982 2.3982 2.5809 2.5809 4.5167 4.5167 4.5642 4.5642 5.0389 5.0389 5.0485 5.0485 5.4030 5.4030 5.4431 5.4431 7.4595 7.4595 7.5453 7.5453 8.8661 8.8661 8.8924 8.8924 k = 0.0179 0.0126 0.8652 ( 15156 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.4938 -4.4933 -4.4870 -4.4868 -3.6899 -3.6897 -3.6888 -3.6885 -0.9023 -0.9009 -0.8928 -0.8916 1.2743 1.2777 1.3779 1.3782 2.4107 2.4119 2.5890 2.5934 4.5104 4.5164 4.5580 4.5638 5.0381 5.0393 5.0465 5.0496 5.3865 5.4087 5.4372 5.4376 7.4568 7.4758 7.5469 7.5576 8.8662 8.8668 8.8917 8.8936 k = 0.0357 0.0253 0.8652 ( 15140 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.4938 -4.4929 -4.4869 -4.4864 -3.6906 -3.6902 -3.6895 -3.6890 -0.8994 -0.8964 -0.8895 -0.8872 1.2530 1.2594 1.3508 1.3513 2.4478 2.4503 2.6173 2.6258 4.4972 4.5093 4.5453 4.5562 5.0370 5.0392 5.0434 5.0499 5.3607 5.4035 5.4207 5.4211 7.4678 7.5048 7.5620 7.5829 8.8668 8.8680 8.8916 8.8954 k = 0.0536 0.0379 0.8652 ( 15124 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.4937 -4.4923 -4.4867 -4.4860 -3.6916 -3.6911 -3.6906 -3.6899 -0.8941 -0.8896 -0.8839 -0.8804 1.2212 1.2302 1.3101 1.3107 2.5057 2.5095 2.6636 2.6759 4.4764 4.4952 4.5255 4.5408 5.0356 5.0387 5.0393 5.0494 5.3278 5.3886 5.3949 5.3956 7.4914 7.5449 7.5894 7.6200 8.8678 8.8699 8.8919 8.8975 k = 0.0714 0.0506 0.8652 ( 15136 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.4934 -4.4915 -4.4863 -4.4855 -3.6930 -3.6923 -3.6920 -3.6911 -0.8867 -0.8807 -0.8760 -0.8714 1.1817 1.1927 1.2604 1.2611 2.5799 2.5851 2.7253 2.7409 4.4473 4.4734 4.4983 4.5162 5.0339 5.0341 5.0377 5.0482 5.2912 5.3613 5.3643 5.3660 7.5259 7.5939 7.6272 7.6667 8.8691 8.8722 8.8924 8.8999 k = 0.0893 0.0632 0.8652 ( 15134 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.4930 -4.4907 -4.4860 -4.4848 -3.6946 -3.6938 -3.6936 -3.6925 -0.8775 -0.8701 -0.8663 -0.8606 1.1375 1.1499 1.2059 1.2066 2.6665 2.6732 2.7996 2.8181 4.4091 4.4433 4.4628 4.4811 5.0278 5.0322 5.0362 5.0464 5.2541 5.3230 5.3296 5.3385 7.5688 7.6492 7.6731 7.7206 8.8704 8.8747 8.8931 8.9024 k = 0.1071 0.0759 0.8652 ( 15132 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.4925 -4.4898 -4.4855 -4.4842 -3.6963 -3.6955 -3.6954 -3.6942 -0.8670 -0.8582 -0.8552 -0.8483 1.0912 1.1045 1.1499 1.1505 2.7622 2.7706 2.8838 2.9049 4.3610 4.4038 4.4184 4.4342 5.0207 5.0304 5.0343 5.0441 5.2198 5.2831 5.2941 5.3087 7.6175 7.7083 7.7245 7.7791 8.8714 8.8773 8.8937 8.9048 k = 0.1250 0.0885 0.8652 ( 15132 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.4920 -4.4888 -4.4850 -4.4835 -3.6982 -3.6974 -3.6972 -3.6959 -0.8556 -0.8455 -0.8432 -0.8353 1.0453 1.0591 1.0952 1.0954 2.8647 2.8748 2.9755 2.9992 4.3027 4.3542 4.3646 4.3749 5.0133 5.0288 5.0318 5.0415 5.1902 5.2445 5.2603 5.2794 7.6694 7.7687 7.7786 7.8396 8.8718 8.8797 8.8939 8.9067 k = 0.1429 0.1012 0.8652 ( 15128 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.4915 -4.4879 -4.4846 -4.4827 -3.7000 -3.6994 -3.6990 -3.6977 -0.8439 -0.8325 -0.8308 -0.8219 1.0018 1.0156 1.0434 1.0437 2.9720 2.9842 3.0727 3.0991 4.2342 4.2944 4.3015 4.3035 5.0062 5.0274 5.0286 5.0386 5.1664 5.2093 5.2296 5.2524 7.7215 7.8277 7.8330 7.8995 8.8714 8.8816 8.8936 8.9082 k = 0.1607 0.1138 0.8652 ( 15124 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.4910 -4.4869 -4.4842 -4.4821 -3.7018 -3.7012 -3.7006 -3.6993 -0.8325 -0.8199 -0.8188 -0.8089 0.9623 0.9758 0.9961 0.9972 3.0828 3.0972 3.1737 3.2031 4.1560 4.2209 4.2244 4.2297 5.0004 5.0247 5.0263 5.0358 5.1480 5.1793 5.2033 5.2290 7.7714 7.8829 7.8849 7.9563 8.8701 8.8830 8.8927 8.9089 k = 0.1786 0.1265 0.8652 ( 15112 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.4905 -4.4861 -4.4838 -4.4815 -3.7033 -3.7028 -3.7021 -3.7008 -0.8220 -0.8084 -0.8077 -0.7970 0.9285 0.9412 0.9550 0.9572 3.1958 3.2126 3.2765 3.3097 4.0690 4.1289 4.1452 4.1504 4.9962 5.0200 5.0256 5.0332 5.1343 5.1553 5.1817 5.2100 7.8165 7.9319 7.9321 8.0074 8.8681 8.8838 8.8913 8.9091 k = 0.1964 0.1391 0.8652 ( 15128 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.4901 -4.4853 -4.4836 -4.4810 -3.7046 -3.7042 -3.7034 -3.7021 -0.8131 -0.7987 -0.7982 -0.7869 0.9015 0.9129 0.9210 0.9247 3.3099 3.3293 3.3789 3.4173 3.9747 4.0296 4.0580 4.0661 4.9940 5.0147 5.0252 5.0309 5.1246 5.1375 5.1649 5.1954 7.8544 7.9717 7.9729 8.0504 8.8656 8.8841 8.8895 8.9088 k = 0.2143 0.1518 0.8652 ( 15124 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.4898 -4.4846 -4.4835 -4.4806 -3.7055 -3.7053 -3.7043 -3.7030 -0.8062 -0.7912 -0.7909 -0.7792 0.8823 0.8920 0.8952 0.9008 3.4236 3.4456 3.4767 3.5238 3.8746 3.9259 3.9648 3.9809 4.9939 5.0091 5.0251 5.0292 5.1182 5.1253 5.1530 5.1852 7.8832 8.0021 8.0035 8.0831 8.8631 8.8842 8.8876 8.9082 k = 0.2321 0.1644 0.8652 ( 15140 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.4896 -4.4841 -4.4836 -4.4804 -3.7061 -3.7060 -3.7049 -3.7036 -0.8019 -0.7865 -0.7864 -0.7743 0.8718 0.8782 0.8792 0.8861 3.5345 3.5586 3.5597 3.6219 3.7718 3.8254 3.8693 3.9053 4.9956 5.0037 5.0251 5.0281 5.1149 5.1180 5.1459 5.1792 7.9011 8.0214 8.0222 8.1036 8.8613 8.8843 8.8860 8.9077 k = 0.2500 0.1770 0.8652 ( 15132 PWs) bands (ev): -93.6996 -93.6996 -93.6996 -93.6996 -4.4895 -4.4838 -4.4838 -4.4803 -3.7062 -3.7062 -3.7051 -3.7038 -0.8005 -0.7849 -0.7849 -0.7726 0.8703 0.8703 0.8748 0.8812 3.5979 3.6137 3.6504 3.6504 3.6952 3.7897 3.7897 3.8695 4.9990 4.9991 5.0251 5.0277 5.1147 5.1147 5.1435 5.1772 7.9072 8.0283 8.0283 8.1106 8.8606 8.8849 8.8849 8.9075 Writing output data file BeSiSb2.save init_run : 6.32s CPU 11.98s WALL ( 1 calls) electrons : 1770.12s CPU 1783.10s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.99s CPU 2.39s WALL ( 1 calls) Called by electrons: c_bands : 1770.09s CPU 1782.70s WALL ( 1 calls) v_of_rho : 0.30s CPU 1.04s WALL ( 1 calls) v_h : 0.01s CPU 0.02s WALL ( 1 calls) v_xc : 0.28s CPU 0.73s WALL ( 1 calls) newd : 2.49s CPU 2.74s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.24s CPU 0.38s WALL ( 271 calls) cegterg : 1651.15s CPU 1660.53s WALL ( 668 calls) Called by sum_band: Called by *egterg: h_psi : 1262.27s CPU 1274.69s WALL ( 12367 calls) s_psi : 88.78s CPU 89.00s WALL ( 12367 calls) g_psi : 2.51s CPU 2.48s WALL ( 11428 calls) cdiaghg : 178.36s CPU 176.09s WALL ( 11699 calls) cegterg:over : 94.11s CPU 90.69s WALL ( 11428 calls) cegterg:upda : 38.63s CPU 42.57s WALL ( 11428 calls) cegterg:last : 31.36s CPU 32.31s WALL ( 2334 calls) Called by h_psi: h_psi:vloc : 1080.24s CPU 1089.59s WALL ( 12367 calls) h_psi:vnl : 180.59s CPU 182.55s WALL ( 12367 calls) add_vuspsi : 73.27s CPU 77.57s WALL ( 12367 calls) General routines calbec : 107.27s CPU 104.86s WALL ( 12367 calls) fft : 0.77s CPU 1.75s WALL ( 19 calls) ffts : 0.03s CPU 0.28s WALL ( 4 calls) fftw : 801.31s CPU 802.04s WALL ( 1223196 calls) interpolate : 0.18s CPU 0.43s WALL ( 4 calls) davcio : 0.04s CPU 2.03s WALL ( 542 calls) Parallel routines fft_scatter : 376.30s CPU 387.44s WALL ( 1223219 calls) PWSCF : 30m53.60s CPU 33m32.17s WALL This run was terminated on: 3:32: 4 13Jun2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=