Program PWSCF v.5.3.0 (svn rev. 11974) starts on 27Jan2017 at 19:20:42 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./NaAlTe2.save/ file Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 5P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 101 83 23 4278 3209 464 Max 102 84 24 4281 3229 468 Sum 3643 3009 831 154049 115913 16789 bravais-lattice index = 14 lattice parameter (alat) = 12.7866 a.u. unit-cell volume = 1563.4755 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 3 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 67.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.786629 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.245850 celldm(5)= -0.245850 celldm(6)= -0.508300 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.508300 0.861180 0.000000 ) a(3) = ( -0.245850 -0.430590 0.868418 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.590236 0.575760 ) b(2) = ( 0.000000 1.161197 0.575760 ) b(3) = ( 0.000000 0.000000 1.151519 ) PseudoPot. # 1 for Na read from file: /users/gautes/Pseudo/Na.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 13bcaa2858b974004ed12db349b14e76 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1121 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Te read from file: /users/gautes/Pseudo/Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d7fe42880ce6991a805b4693d1f2335c Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1245 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Al read from file: /users/gautes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Na 9.00 22.98980 Na( 1.00) Te 6.00 127.60000 Te( 1.00) Al 3.00 26.98150 Al( 1.00) 2 Sym. Ops., with inversion, found (note: 2 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 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 248 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040323 k( 2) = ( 0.0000000 0.0000000 0.0213244), wk = 0.0040323 k( 3) = ( 0.0000000 0.0000000 0.0426489), wk = 0.0040323 k( 4) = ( 0.0000000 0.0000000 0.0639733), wk = 0.0040323 k( 5) = ( 0.0000000 0.0000000 0.0852977), wk = 0.0040323 k( 6) = ( 0.0000000 0.0000000 0.1066221), wk = 0.0040323 k( 7) = ( 0.0000000 0.0000000 0.1279466), wk = 0.0040323 k( 8) = ( 0.0000000 0.0000000 0.1492710), wk = 0.0040323 k( 9) = ( 0.0000000 0.0000000 0.1705954), wk = 0.0040323 k( 10) = ( 0.0000000 0.0000000 0.1919199), wk = 0.0040323 k( 11) = ( 0.0000000 0.0000000 0.2132443), wk = 0.0040323 k( 12) = ( 0.0000000 0.0000000 0.2345687), wk = 0.0040323 k( 13) = ( 0.0000000 0.0000000 0.2558932), wk = 0.0040323 k( 14) = ( 0.0000000 0.0000000 0.2772176), wk = 0.0040323 k( 15) = ( 0.0000000 0.0000000 0.2985420), wk = 0.0040323 k( 16) = ( 0.0000000 0.0000000 0.3198665), wk = 0.0040323 k( 17) = ( 0.0000000 0.0000000 0.3411909), wk = 0.0040323 k( 18) = ( 0.0000000 0.0000000 0.3625153), wk = 0.0040323 k( 19) = ( 0.0000000 0.0000000 0.3838397), wk = 0.0040323 k( 20) = ( 0.0000000 0.0000000 0.4051642), wk = 0.0040323 k( 21) = ( 0.0000000 0.0000000 0.4264886), wk = 0.0040323 k( 22) = ( 0.0000000 0.0000000 0.4478130), wk = 0.0040323 k( 23) = ( 0.0000000 0.0000000 0.4691375), wk = 0.0040323 k( 24) = ( 0.0000000 0.0000000 0.4904619), wk = 0.0040323 k( 25) = ( 0.0000000 0.0000000 0.5117863), wk = 0.0040323 k( 26) = ( 0.0000000 0.0000000 0.5331108), wk = 0.0040323 k( 27) = ( 0.0000000 0.0000000 0.5544352), wk = 0.0040323 k( 28) = ( 0.0000000 0.0000000 0.5757596), wk = 0.0040323 k( 29) = ( 0.0000000 0.0000000 0.5757596), wk = 0.0040323 k( 30) = ( -0.0185185 0.0105734 0.5757596), wk = 0.0040323 k( 31) = ( -0.0370370 0.0211467 0.5757596), wk = 0.0040323 k( 32) = ( -0.0555556 0.0317201 0.5757596), wk = 0.0040323 k( 33) = ( -0.0740741 0.0422934 0.5757596), wk = 0.0040323 k( 34) = ( -0.0925926 0.0528668 0.5757596), wk = 0.0040323 k( 35) = ( -0.1111111 0.0634401 0.5757596), wk = 0.0040323 k( 36) = ( -0.1296296 0.0740135 0.5757596), wk = 0.0040323 k( 37) = ( -0.1481482 0.0845868 0.5757596), wk = 0.0040323 k( 38) = ( -0.1666667 0.0951602 0.5757596), wk = 0.0040323 k( 39) = ( -0.1851852 0.1057335 0.5757596), wk = 0.0040323 k( 40) = ( -0.2037037 0.1163069 0.5757596), wk = 0.0040323 k( 41) = ( -0.2222222 0.1268802 0.5757596), wk = 0.0040323 k( 42) = ( -0.2407407 0.1374536 0.5757596), wk = 0.0040323 k( 43) = ( -0.2592593 0.1480269 0.5757596), wk = 0.0040323 k( 44) = ( -0.2777778 0.1586003 0.5757596), wk = 0.0040323 k( 45) = ( -0.2962963 0.1691737 0.5757596), wk = 0.0040323 k( 46) = ( -0.3148148 0.1797470 0.5757596), wk = 0.0040323 k( 47) = ( -0.3333333 0.1903204 0.5757596), wk = 0.0040323 k( 48) = ( -0.3518519 0.2008937 0.5757596), wk = 0.0040323 k( 49) = ( -0.3703704 0.2114671 0.5757596), wk = 0.0040323 k( 50) = ( -0.3888889 0.2220404 0.5757596), wk = 0.0040323 k( 51) = ( -0.4074074 0.2326138 0.5757596), wk = 0.0040323 k( 52) = ( -0.4259259 0.2431871 0.5757596), wk = 0.0040323 k( 53) = ( -0.4444444 0.2537605 0.5757596), wk = 0.0040323 k( 54) = ( -0.4629630 0.2643338 0.5757596), wk = 0.0040323 k( 55) = ( -0.4814815 0.2749072 0.5757596), wk = 0.0040323 k( 56) = ( -0.5000000 0.2854805 0.5757596), wk = 0.0040323 k( 57) = ( -0.5000000 0.2854805 0.5757596), wk = 0.0040323 k( 58) = ( -0.4868421 0.2779679 0.5606081), wk = 0.0040323 k( 59) = ( -0.4736842 0.2704552 0.5454565), wk = 0.0040323 k( 60) = ( -0.4605263 0.2629426 0.5303049), wk = 0.0040323 k( 61) = ( -0.4473684 0.2554300 0.5151533), wk = 0.0040323 k( 62) = ( -0.4342105 0.2479173 0.5000018), wk = 0.0040323 k( 63) = ( -0.4210526 0.2404047 0.4848502), wk = 0.0040323 k( 64) = ( -0.4078947 0.2328920 0.4696986), wk = 0.0040323 k( 65) = ( -0.3947368 0.2253794 0.4545471), wk = 0.0040323 k( 66) = ( -0.3815789 0.2178667 0.4393955), wk = 0.0040323 k( 67) = ( -0.3684211 0.2103541 0.4242439), wk = 0.0040323 k( 68) = ( -0.3552632 0.2028414 0.4090924), wk = 0.0040323 k( 69) = ( -0.3421053 0.1953288 0.3939408), wk = 0.0040323 k( 70) = ( -0.3289474 0.1878161 0.3787892), wk = 0.0040323 k( 71) = ( -0.3157895 0.1803035 0.3636376), wk = 0.0040323 k( 72) = ( -0.3026316 0.1727909 0.3484861), wk = 0.0040323 k( 73) = ( -0.2894737 0.1652782 0.3333345), wk = 0.0040323 k( 74) = ( -0.2763158 0.1577656 0.3181829), wk = 0.0040323 k( 75) = ( -0.2631579 0.1502529 0.3030314), wk = 0.0040323 k( 76) = ( -0.2500000 0.1427403 0.2878798), wk = 0.0040323 k( 77) = ( -0.2368421 0.1352276 0.2727282), wk = 0.0040323 k( 78) = ( -0.2236842 0.1277150 0.2575767), wk = 0.0040323 k( 79) = ( -0.2105263 0.1202023 0.2424251), wk = 0.0040323 k( 80) = ( -0.1973684 0.1126897 0.2272735), wk = 0.0040323 k( 81) = ( -0.1842105 0.1051770 0.2121220), wk = 0.0040323 k( 82) = ( -0.1710526 0.0976644 0.1969704), wk = 0.0040323 k( 83) = ( -0.1578947 0.0901517 0.1818188), wk = 0.0040323 k( 84) = ( -0.1447368 0.0826391 0.1666673), wk = 0.0040323 k( 85) = ( -0.1315790 0.0751265 0.1515157), wk = 0.0040323 k( 86) = ( -0.1184210 0.0676138 0.1363641), wk = 0.0040323 k( 87) = ( -0.1052632 0.0601012 0.1212126), wk = 0.0040323 k( 88) = ( -0.0921053 0.0525885 0.1060610), wk = 0.0040323 k( 89) = ( -0.0789474 0.0450759 0.0909094), wk = 0.0040323 k( 90) = ( -0.0657895 0.0375632 0.0757578), wk = 0.0040323 k( 91) = ( -0.0526316 0.0300506 0.0606063), wk = 0.0040323 k( 92) = ( -0.0394737 0.0225379 0.0454547), wk = 0.0040323 k( 93) = ( -0.0263158 0.0150253 0.0303031), wk = 0.0040323 k( 94) = ( -0.0131579 0.0075126 0.0151516), wk = 0.0040323 k( 95) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040323 k( 96) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040323 k( 97) = ( 0.0105897 0.0185471 -0.0000000), wk = 0.0040323 k( 98) = ( 0.0211794 0.0370943 -0.0000000), wk = 0.0040323 k( 99) = ( 0.0317691 0.0556414 -0.0000000), wk = 0.0040323 k( 100) = ( 0.0423588 0.0741886 -0.0000000), wk = 0.0040323 k( 101) = ( 0.0529485 0.0927357 -0.0000000), wk = 0.0040323 k( 102) = ( 0.0635382 0.1112829 -0.0000000), wk = 0.0040323 k( 103) = ( 0.0741279 0.1298300 -0.0000000), wk = 0.0040323 k( 104) = ( 0.0847176 0.1483772 -0.0000000), wk = 0.0040323 k( 105) = ( 0.0953073 0.1669243 -0.0000000), wk = 0.0040323 k( 106) = ( 0.1058970 0.1854715 -0.0000000), wk = 0.0040323 k( 107) = ( 0.1164867 0.2040186 -0.0000000), wk = 0.0040323 k( 108) = ( 0.1270764 0.2225658 -0.0000000), wk = 0.0040323 k( 109) = ( 0.1376661 0.2411129 -0.0000000), wk = 0.0040323 k( 110) = ( 0.1482558 0.2596601 -0.0000000), wk = 0.0040323 k( 111) = ( 0.1588455 0.2782072 -0.0000000), wk = 0.0040323 k( 112) = ( 0.1694352 0.2967544 -0.0000000), wk = 0.0040323 k( 113) = ( 0.1800249 0.3153015 -0.0000000), wk = 0.0040323 k( 114) = ( 0.1906146 0.3338487 -0.0000000), wk = 0.0040323 k( 115) = ( 0.2012043 0.3523958 -0.0000000), wk = 0.0040323 k( 116) = ( 0.2117940 0.3709430 -0.0000000), wk = 0.0040323 k( 117) = ( 0.2223837 0.3894901 -0.0000000), wk = 0.0040323 k( 118) = ( 0.2329734 0.4080372 -0.0000000), wk = 0.0040323 k( 119) = ( 0.2435631 0.4265844 -0.0000000), wk = 0.0040323 k( 120) = ( 0.2541528 0.4451315 -0.0000000), wk = 0.0040323 k( 121) = ( 0.2647425 0.4636787 -0.0000000), wk = 0.0040323 k( 122) = ( 0.2753322 0.4822258 -0.0000000), wk = 0.0040323 k( 123) = ( 0.2859219 0.5007730 -0.0000000), wk = 0.0040323 k( 124) = ( 0.2965116 0.5193201 -0.0000000), wk = 0.0040323 k( 125) = ( 0.3071013 0.5378673 -0.0000000), wk = 0.0040323 k( 126) = ( 0.3176910 0.5564144 -0.0000000), wk = 0.0040323 k( 127) = ( 0.3282807 0.5749616 -0.0000000), wk = 0.0040323 k( 128) = ( 0.3388704 0.5935087 -0.0000000), wk = 0.0040323 k( 129) = ( 0.3494601 0.6120559 -0.0000000), wk = 0.0040323 k( 130) = ( 0.3600498 0.6306030 -0.0000000), wk = 0.0040323 k( 131) = ( 0.3706395 0.6491502 -0.0000000), wk = 0.0040323 k( 132) = ( 0.3812292 0.6676973 -0.0000000), wk = 0.0040323 k( 133) = ( 0.3918189 0.6862445 -0.0000000), wk = 0.0040323 k( 134) = ( 0.4024086 0.7047916 -0.0000000), wk = 0.0040323 k( 135) = ( 0.4129983 0.7233388 -0.0000000), wk = 0.0040323 k( 136) = ( 0.4129983 0.7233388 -0.0000000), wk = 0.0040323 k( 137) = ( 0.4077403 0.7141297 0.0185729), wk = 0.0040323 k( 138) = ( 0.4024822 0.7049207 0.0371458), wk = 0.0040323 k( 139) = ( 0.3972243 0.6957116 0.0557187), wk = 0.0040323 k( 140) = ( 0.3919662 0.6865026 0.0742916), wk = 0.0040323 k( 141) = ( 0.3867082 0.6772935 0.0928645), wk = 0.0040323 k( 142) = ( 0.3814502 0.6680845 0.1114373), wk = 0.0040323 k( 143) = ( 0.3761922 0.6588754 0.1300102), wk = 0.0040323 k( 144) = ( 0.3709342 0.6496664 0.1485831), wk = 0.0040323 k( 145) = ( 0.3656762 0.6404573 0.1671560), wk = 0.0040323 k( 146) = ( 0.3604182 0.6312483 0.1857289), wk = 0.0040323 k( 147) = ( 0.3551602 0.6220392 0.2043018), wk = 0.0040323 k( 148) = ( 0.3499022 0.6128302 0.2228747), wk = 0.0040323 k( 149) = ( 0.3446442 0.6036211 0.2414476), wk = 0.0040323 k( 150) = ( 0.3393861 0.5944121 0.2600205), wk = 0.0040323 k( 151) = ( 0.3341281 0.5852030 0.2785934), wk = 0.0040323 k( 152) = ( 0.3288701 0.5759940 0.2971662), wk = 0.0040323 k( 153) = ( 0.3236121 0.5667849 0.3157391), wk = 0.0040323 k( 154) = ( 0.3183541 0.5575759 0.3343120), wk = 0.0040323 k( 155) = ( 0.3130961 0.5483668 0.3528849), wk = 0.0040323 k( 156) = ( 0.3078381 0.5391578 0.3714578), wk = 0.0040323 k( 157) = ( 0.3025801 0.5299487 0.3900307), wk = 0.0040323 k( 158) = ( 0.2973221 0.5207397 0.4086036), wk = 0.0040323 k( 159) = ( 0.2920641 0.5115306 0.4271765), wk = 0.0040323 k( 160) = ( 0.2868061 0.5023216 0.4457494), wk = 0.0040323 k( 161) = ( 0.2815480 0.4931125 0.4643223), wk = 0.0040323 k( 162) = ( 0.2762900 0.4839035 0.4828952), wk = 0.0040323 k( 163) = ( 0.2710320 0.4746944 0.5014681), wk = 0.0040323 k( 164) = ( 0.2657740 0.4654854 0.5200410), wk = 0.0040323 k( 165) = ( 0.2605160 0.4562763 0.5386138), wk = 0.0040323 k( 166) = ( 0.2552580 0.4470673 0.5571867), wk = 0.0040323 k( 167) = ( 0.2500000 0.4378582 0.5757596), wk = 0.0040323 k( 168) = ( 0.2500000 0.4378582 0.5757596), wk = 0.0040323 k( 169) = ( 0.2368421 0.4453709 0.5606081), wk = 0.0040323 k( 170) = ( 0.2236842 0.4528835 0.5454565), wk = 0.0040323 k( 171) = ( 0.2105263 0.4603962 0.5303049), wk = 0.0040323 k( 172) = ( 0.1973684 0.4679088 0.5151533), wk = 0.0040323 k( 173) = ( 0.1842105 0.4754214 0.5000018), wk = 0.0040323 k( 174) = ( 0.1710526 0.4829341 0.4848502), wk = 0.0040323 k( 175) = ( 0.1578947 0.4904467 0.4696986), wk = 0.0040323 k( 176) = ( 0.1447368 0.4979594 0.4545471), wk = 0.0040323 k( 177) = ( 0.1315790 0.5054720 0.4393955), wk = 0.0040323 k( 178) = ( 0.1184210 0.5129847 0.4242439), wk = 0.0040323 k( 179) = ( 0.1052632 0.5204973 0.4090924), wk = 0.0040323 k( 180) = ( 0.0921053 0.5280100 0.3939408), wk = 0.0040323 k( 181) = ( 0.0789474 0.5355226 0.3787892), wk = 0.0040323 k( 182) = ( 0.0657895 0.5430353 0.3636376), wk = 0.0040323 k( 183) = ( 0.0526316 0.5505479 0.3484861), wk = 0.0040323 k( 184) = ( 0.0394737 0.5580606 0.3333345), wk = 0.0040323 k( 185) = ( 0.0263158 0.5655732 0.3181829), wk = 0.0040323 k( 186) = ( 0.0131579 0.5730858 0.3030314), wk = 0.0040323 k( 187) = ( 0.0000000 0.5805985 0.2878798), wk = 0.0040323 k( 188) = ( 0.0000000 0.5805985 0.2878798), wk = 0.0040323 k( 189) = ( -0.0165199 0.5748889 0.2993950), wk = 0.0040323 k( 190) = ( -0.0330399 0.5691793 0.3109102), wk = 0.0040323 k( 191) = ( -0.0495598 0.5634697 0.3224254), wk = 0.0040323 k( 192) = ( -0.0660797 0.5577601 0.3339406), wk = 0.0040323 k( 193) = ( -0.0825996 0.5520504 0.3454558), wk = 0.0040323 k( 194) = ( -0.0991196 0.5463408 0.3569710), wk = 0.0040323 k( 195) = ( -0.1156395 0.5406312 0.3684862), wk = 0.0040323 k( 196) = ( -0.1321595 0.5349216 0.3800013), wk = 0.0040323 k( 197) = ( -0.1486794 0.5292120 0.3915165), wk = 0.0040323 k( 198) = ( -0.1651993 0.5235024 0.4030317), wk = 0.0040323 k( 199) = ( -0.1817192 0.5177928 0.4145469), wk = 0.0040323 k( 200) = ( -0.1982392 0.5120832 0.4260621), wk = 0.0040323 k( 201) = ( -0.2147591 0.5063736 0.4375773), wk = 0.0040323 k( 202) = ( -0.2312790 0.5006639 0.4490925), wk = 0.0040323 k( 203) = ( -0.2477990 0.4949543 0.4606077), wk = 0.0040323 k( 204) = ( -0.2643189 0.4892447 0.4721229), wk = 0.0040323 k( 205) = ( -0.2808388 0.4835351 0.4836381), wk = 0.0040323 k( 206) = ( -0.2973588 0.4778255 0.4951533), wk = 0.0040323 k( 207) = ( -0.3138787 0.4721159 0.5066685), wk = 0.0040323 k( 208) = ( -0.3303986 0.4664063 0.5181837), wk = 0.0040323 k( 209) = ( -0.3469185 0.4606967 0.5296988), wk = 0.0040323 k( 210) = ( -0.3634385 0.4549871 0.5412140), wk = 0.0040323 k( 211) = ( -0.3799584 0.4492774 0.5527292), wk = 0.0040323 k( 212) = ( -0.3964783 0.4435678 0.5642444), wk = 0.0040323 k( 213) = ( -0.4129983 0.4378582 0.5757596), wk = 0.0040323 k( 214) = ( -0.4129983 0.4378582 0.5757596), wk = 0.0040323 k( 215) = ( -0.4226651 0.4209274 0.5757596), wk = 0.0040323 k( 216) = ( -0.4323320 0.4039965 0.5757596), wk = 0.0040323 k( 217) = ( -0.4419988 0.3870657 0.5757596), wk = 0.0040323 k( 218) = ( -0.4516657 0.3701348 0.5757596), wk = 0.0040323 k( 219) = ( -0.4613326 0.3532039 0.5757596), wk = 0.0040323 k( 220) = ( -0.4709994 0.3362731 0.5757596), wk = 0.0040323 k( 221) = ( -0.4806663 0.3193422 0.5757596), wk = 0.0040323 k( 222) = ( -0.4903331 0.3024114 0.5757596), wk = 0.0040323 k( 223) = ( -0.5000000 0.2854805 0.5757596), wk = 0.0040323 k( 224) = ( 0.0000000 0.0000000 0.5757596), wk = 0.0040323 k( 225) = ( 0.0104167 0.0182441 0.5757596), wk = 0.0040323 k( 226) = ( 0.0208333 0.0364882 0.5757596), wk = 0.0040323 k( 227) = ( 0.0312500 0.0547323 0.5757596), wk = 0.0040323 k( 228) = ( 0.0416667 0.0729764 0.5757596), wk = 0.0040323 k( 229) = ( 0.0520833 0.0912205 0.5757596), wk = 0.0040323 k( 230) = ( 0.0625000 0.1094646 0.5757596), wk = 0.0040323 k( 231) = ( 0.0729167 0.1277087 0.5757596), wk = 0.0040323 k( 232) = ( 0.0833333 0.1459527 0.5757596), wk = 0.0040323 k( 233) = ( 0.0937500 0.1641968 0.5757596), wk = 0.0040323 k( 234) = ( 0.1041667 0.1824409 0.5757596), wk = 0.0040323 k( 235) = ( 0.1145833 0.2006850 0.5757596), wk = 0.0040323 k( 236) = ( 0.1250000 0.2189291 0.5757596), wk = 0.0040323 k( 237) = ( 0.1354167 0.2371732 0.5757596), wk = 0.0040323 k( 238) = ( 0.1458333 0.2554173 0.5757596), wk = 0.0040323 k( 239) = ( 0.1562500 0.2736614 0.5757596), wk = 0.0040323 k( 240) = ( 0.1666667 0.2919055 0.5757596), wk = 0.0040323 k( 241) = ( 0.1770833 0.3101496 0.5757596), wk = 0.0040323 k( 242) = ( 0.1875000 0.3283937 0.5757596), wk = 0.0040323 k( 243) = ( 0.1979167 0.3466378 0.5757596), wk = 0.0040323 k( 244) = ( 0.2083333 0.3648818 0.5757596), wk = 0.0040323 k( 245) = ( 0.2187500 0.3831259 0.5757596), wk = 0.0040323 k( 246) = ( 0.2291667 0.4013700 0.5757596), wk = 0.0040323 k( 247) = ( 0.2395833 0.4196141 0.5757596), wk = 0.0040323 k( 248) = ( 0.2500000 0.4378582 0.5757596), wk = 0.0040323 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040323 k( 2) = ( 0.0000000 0.0000000 0.0185185), wk = 0.0040323 k( 3) = ( 0.0000000 0.0000000 0.0370370), wk = 0.0040323 k( 4) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0040323 k( 5) = ( 0.0000000 0.0000000 0.0740741), wk = 0.0040323 k( 6) = ( 0.0000000 0.0000000 0.0925926), wk = 0.0040323 k( 7) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0040323 k( 8) = ( 0.0000000 0.0000000 0.1296296), wk = 0.0040323 k( 9) = ( 0.0000000 0.0000000 0.1481482), wk = 0.0040323 k( 10) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0040323 k( 11) = ( 0.0000000 0.0000000 0.1851852), wk = 0.0040323 k( 12) = ( 0.0000000 0.0000000 0.2037037), wk = 0.0040323 k( 13) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0040323 k( 14) = ( 0.0000000 0.0000000 0.2407407), wk = 0.0040323 k( 15) = ( 0.0000000 0.0000000 0.2592593), wk = 0.0040323 k( 16) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0040323 k( 17) = ( 0.0000000 0.0000000 0.2962963), wk = 0.0040323 k( 18) = ( 0.0000000 0.0000000 0.3148148), wk = 0.0040323 k( 19) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0040323 k( 20) = ( 0.0000000 0.0000000 0.3518519), wk = 0.0040323 k( 21) = ( 0.0000000 0.0000000 0.3703704), wk = 0.0040323 k( 22) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0040323 k( 23) = ( 0.0000000 0.0000000 0.4074074), wk = 0.0040323 k( 24) = ( 0.0000000 0.0000000 0.4259259), wk = 0.0040323 k( 25) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0040323 k( 26) = ( 0.0000000 0.0000000 0.4629630), wk = 0.0040323 k( 27) = ( 0.0000000 0.0000000 0.4814815), wk = 0.0040323 k( 28) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0040323 k( 29) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0040323 k( 30) = ( -0.0185185 0.0185185 0.5000000), wk = 0.0040323 k( 31) = ( -0.0370370 0.0370370 0.5000000), wk = 0.0040323 k( 32) = ( -0.0555556 0.0555556 0.5000000), wk = 0.0040323 k( 33) = ( -0.0740741 0.0740741 0.5000000), wk = 0.0040323 k( 34) = ( -0.0925926 0.0925926 0.5000000), wk = 0.0040323 k( 35) = ( -0.1111111 0.1111111 0.5000000), wk = 0.0040323 k( 36) = ( -0.1296296 0.1296296 0.5000000), wk = 0.0040323 k( 37) = ( -0.1481482 0.1481481 0.5000000), wk = 0.0040323 k( 38) = ( -0.1666667 0.1666667 0.5000000), wk = 0.0040323 k( 39) = ( -0.1851852 0.1851852 0.5000000), wk = 0.0040323 k( 40) = ( -0.2037037 0.2037037 0.5000000), wk = 0.0040323 k( 41) = ( -0.2222222 0.2222222 0.5000000), wk = 0.0040323 k( 42) = ( -0.2407407 0.2407407 0.5000000), wk = 0.0040323 k( 43) = ( -0.2592593 0.2592593 0.5000000), wk = 0.0040323 k( 44) = ( -0.2777778 0.2777778 0.5000000), wk = 0.0040323 k( 45) = ( -0.2962963 0.2962963 0.5000000), wk = 0.0040323 k( 46) = ( -0.3148148 0.3148148 0.5000000), wk = 0.0040323 k( 47) = ( -0.3333333 0.3333333 0.5000000), wk = 0.0040323 k( 48) = ( -0.3518519 0.3518519 0.5000000), wk = 0.0040323 k( 49) = ( -0.3703704 0.3703704 0.5000000), wk = 0.0040323 k( 50) = ( -0.3888889 0.3888889 0.5000000), wk = 0.0040323 k( 51) = ( -0.4074074 0.4074074 0.5000000), wk = 0.0040323 k( 52) = ( -0.4259259 0.4259259 0.5000000), wk = 0.0040323 k( 53) = ( -0.4444444 0.4444444 0.5000000), wk = 0.0040323 k( 54) = ( -0.4629630 0.4629630 0.5000000), wk = 0.0040323 k( 55) = ( -0.4814815 0.4814815 0.5000000), wk = 0.0040323 k( 56) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0040323 k( 57) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0040323 k( 58) = ( -0.4868421 0.4868421 0.4868421), wk = 0.0040323 k( 59) = ( -0.4736842 0.4736842 0.4736842), wk = 0.0040323 k( 60) = ( -0.4605263 0.4605263 0.4605263), wk = 0.0040323 k( 61) = ( -0.4473684 0.4473684 0.4473684), wk = 0.0040323 k( 62) = ( -0.4342105 0.4342105 0.4342105), wk = 0.0040323 k( 63) = ( -0.4210526 0.4210526 0.4210526), wk = 0.0040323 k( 64) = ( -0.4078947 0.4078947 0.4078947), wk = 0.0040323 k( 65) = ( -0.3947368 0.3947368 0.3947368), wk = 0.0040323 k( 66) = ( -0.3815789 0.3815789 0.3815790), wk = 0.0040323 k( 67) = ( -0.3684211 0.3684210 0.3684211), wk = 0.0040323 k( 68) = ( -0.3552632 0.3552632 0.3552632), wk = 0.0040323 k( 69) = ( -0.3421053 0.3421053 0.3421053), wk = 0.0040323 k( 70) = ( -0.3289474 0.3289474 0.3289474), wk = 0.0040323 k( 71) = ( -0.3157895 0.3157895 0.3157895), wk = 0.0040323 k( 72) = ( -0.3026316 0.3026316 0.3026316), wk = 0.0040323 k( 73) = ( -0.2894737 0.2894737 0.2894737), wk = 0.0040323 k( 74) = ( -0.2763158 0.2763158 0.2763158), wk = 0.0040323 k( 75) = ( -0.2631579 0.2631579 0.2631579), wk = 0.0040323 k( 76) = ( -0.2500000 0.2500000 0.2500000), wk = 0.0040323 k( 77) = ( -0.2368421 0.2368421 0.2368421), wk = 0.0040323 k( 78) = ( -0.2236842 0.2236842 0.2236842), wk = 0.0040323 k( 79) = ( -0.2105263 0.2105263 0.2105263), wk = 0.0040323 k( 80) = ( -0.1973684 0.1973684 0.1973684), wk = 0.0040323 k( 81) = ( -0.1842105 0.1842105 0.1842105), wk = 0.0040323 k( 82) = ( -0.1710526 0.1710526 0.1710526), wk = 0.0040323 k( 83) = ( -0.1578947 0.1578947 0.1578947), wk = 0.0040323 k( 84) = ( -0.1447368 0.1447368 0.1447368), wk = 0.0040323 k( 85) = ( -0.1315790 0.1315790 0.1315790), wk = 0.0040323 k( 86) = ( -0.1184210 0.1184210 0.1184211), wk = 0.0040323 k( 87) = ( -0.1052632 0.1052632 0.1052632), wk = 0.0040323 k( 88) = ( -0.0921053 0.0921053 0.0921053), wk = 0.0040323 k( 89) = ( -0.0789474 0.0789474 0.0789474), wk = 0.0040323 k( 90) = ( -0.0657895 0.0657895 0.0657895), wk = 0.0040323 k( 91) = ( -0.0526316 0.0526316 0.0526316), wk = 0.0040323 k( 92) = ( -0.0394737 0.0394737 0.0394737), wk = 0.0040323 k( 93) = ( -0.0263158 0.0263158 0.0263158), wk = 0.0040323 k( 94) = ( -0.0131579 0.0131579 0.0131579), wk = 0.0040323 k( 95) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040323 k( 96) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040323 k( 97) = ( 0.0105897 0.0105897 -0.0105897), wk = 0.0040323 k( 98) = ( 0.0211794 0.0211794 -0.0211794), wk = 0.0040323 k( 99) = ( 0.0317691 0.0317691 -0.0317691), wk = 0.0040323 k( 100) = ( 0.0423588 0.0423588 -0.0423588), wk = 0.0040323 k( 101) = ( 0.0529485 0.0529485 -0.0529485), wk = 0.0040323 k( 102) = ( 0.0635382 0.0635382 -0.0635382), wk = 0.0040323 k( 103) = ( 0.0741279 0.0741279 -0.0741279), wk = 0.0040323 k( 104) = ( 0.0847176 0.0847176 -0.0847176), wk = 0.0040323 k( 105) = ( 0.0953073 0.0953073 -0.0953073), wk = 0.0040323 k( 106) = ( 0.1058970 0.1058970 -0.1058970), wk = 0.0040323 k( 107) = ( 0.1164867 0.1164867 -0.1164867), wk = 0.0040323 k( 108) = ( 0.1270764 0.1270764 -0.1270764), wk = 0.0040323 k( 109) = ( 0.1376661 0.1376661 -0.1376661), wk = 0.0040323 k( 110) = ( 0.1482558 0.1482558 -0.1482558), wk = 0.0040323 k( 111) = ( 0.1588455 0.1588455 -0.1588455), wk = 0.0040323 k( 112) = ( 0.1694352 0.1694352 -0.1694352), wk = 0.0040323 k( 113) = ( 0.1800249 0.1800249 -0.1800249), wk = 0.0040323 k( 114) = ( 0.1906146 0.1906146 -0.1906146), wk = 0.0040323 k( 115) = ( 0.2012043 0.2012043 -0.2012043), wk = 0.0040323 k( 116) = ( 0.2117940 0.2117940 -0.2117940), wk = 0.0040323 k( 117) = ( 0.2223837 0.2223837 -0.2223837), wk = 0.0040323 k( 118) = ( 0.2329734 0.2329734 -0.2329734), wk = 0.0040323 k( 119) = ( 0.2435631 0.2435631 -0.2435631), wk = 0.0040323 k( 120) = ( 0.2541528 0.2541528 -0.2541528), wk = 0.0040323 k( 121) = ( 0.2647425 0.2647425 -0.2647425), wk = 0.0040323 k( 122) = ( 0.2753322 0.2753322 -0.2753322), wk = 0.0040323 k( 123) = ( 0.2859219 0.2859219 -0.2859219), wk = 0.0040323 k( 124) = ( 0.2965116 0.2965116 -0.2965116), wk = 0.0040323 k( 125) = ( 0.3071013 0.3071013 -0.3071013), wk = 0.0040323 k( 126) = ( 0.3176910 0.3176910 -0.3176910), wk = 0.0040323 k( 127) = ( 0.3282807 0.3282807 -0.3282807), wk = 0.0040323 k( 128) = ( 0.3388704 0.3388704 -0.3388704), wk = 0.0040323 k( 129) = ( 0.3494601 0.3494601 -0.3494601), wk = 0.0040323 k( 130) = ( 0.3600498 0.3600498 -0.3600498), wk = 0.0040323 k( 131) = ( 0.3706395 0.3706395 -0.3706395), wk = 0.0040323 k( 132) = ( 0.3812292 0.3812292 -0.3812292), wk = 0.0040323 k( 133) = ( 0.3918189 0.3918189 -0.3918189), wk = 0.0040323 k( 134) = ( 0.4024086 0.4024086 -0.4024086), wk = 0.0040323 k( 135) = ( 0.4129983 0.4129983 -0.4129983), wk = 0.0040323 k( 136) = ( 0.4129983 0.4129983 -0.4129983), wk = 0.0040323 k( 137) = ( 0.4077403 0.4077403 -0.3916112), wk = 0.0040323 k( 138) = ( 0.4024822 0.4024822 -0.3702242), wk = 0.0040323 k( 139) = ( 0.3972243 0.3972242 -0.3488372), wk = 0.0040323 k( 140) = ( 0.3919662 0.3919662 -0.3274501), wk = 0.0040323 k( 141) = ( 0.3867082 0.3867082 -0.3060631), wk = 0.0040323 k( 142) = ( 0.3814502 0.3814502 -0.2846760), wk = 0.0040323 k( 143) = ( 0.3761922 0.3761922 -0.2632890), wk = 0.0040323 k( 144) = ( 0.3709342 0.3709342 -0.2419019), wk = 0.0040323 k( 145) = ( 0.3656762 0.3656762 -0.2205149), wk = 0.0040323 k( 146) = ( 0.3604182 0.3604182 -0.1991279), wk = 0.0040323 k( 147) = ( 0.3551602 0.3551602 -0.1777408), wk = 0.0040323 k( 148) = ( 0.3499022 0.3499022 -0.1563538), wk = 0.0040323 k( 149) = ( 0.3446442 0.3446442 -0.1349667), wk = 0.0040323 k( 150) = ( 0.3393861 0.3393862 -0.1135797), wk = 0.0040323 k( 151) = ( 0.3341281 0.3341281 -0.0921927), wk = 0.0040323 k( 152) = ( 0.3288701 0.3288701 -0.0708056), wk = 0.0040323 k( 153) = ( 0.3236121 0.3236121 -0.0494186), wk = 0.0040323 k( 154) = ( 0.3183541 0.3183541 -0.0280315), wk = 0.0040323 k( 155) = ( 0.3130961 0.3130961 -0.0066445), wk = 0.0040323 k( 156) = ( 0.3078381 0.3078381 0.0147425), wk = 0.0040323 k( 157) = ( 0.3025801 0.3025801 0.0361296), wk = 0.0040323 k( 158) = ( 0.2973221 0.2973221 0.0575166), wk = 0.0040323 k( 159) = ( 0.2920641 0.2920641 0.0789037), wk = 0.0040323 k( 160) = ( 0.2868061 0.2868061 0.1002907), wk = 0.0040323 k( 161) = ( 0.2815480 0.2815480 0.1216778), wk = 0.0040323 k( 162) = ( 0.2762900 0.2762900 0.1430648), wk = 0.0040323 k( 163) = ( 0.2710320 0.2710320 0.1644518), wk = 0.0040323 k( 164) = ( 0.2657740 0.2657740 0.1858389), wk = 0.0040323 k( 165) = ( 0.2605160 0.2605160 0.2072259), wk = 0.0040323 k( 166) = ( 0.2552580 0.2552580 0.2286130), wk = 0.0040323 k( 167) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0040323 k( 168) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0040323 k( 169) = ( 0.2368421 0.2631579 0.2368421), wk = 0.0040323 k( 170) = ( 0.2236842 0.2763158 0.2236842), wk = 0.0040323 k( 171) = ( 0.2105263 0.2894737 0.2105263), wk = 0.0040323 k( 172) = ( 0.1973684 0.3026316 0.1973684), wk = 0.0040323 k( 173) = ( 0.1842105 0.3157895 0.1842105), wk = 0.0040323 k( 174) = ( 0.1710526 0.3289474 0.1710526), wk = 0.0040323 k( 175) = ( 0.1578947 0.3421053 0.1578947), wk = 0.0040323 k( 176) = ( 0.1447368 0.3552632 0.1447368), wk = 0.0040323 k( 177) = ( 0.1315790 0.3684211 0.1315789), wk = 0.0040323 k( 178) = ( 0.1184210 0.3815789 0.1184211), wk = 0.0040323 k( 179) = ( 0.1052632 0.3947368 0.1052632), wk = 0.0040323 k( 180) = ( 0.0921053 0.4078947 0.0921053), wk = 0.0040323 k( 181) = ( 0.0789474 0.4210526 0.0789474), wk = 0.0040323 k( 182) = ( 0.0657895 0.4342105 0.0657895), wk = 0.0040323 k( 183) = ( 0.0526316 0.4473684 0.0526316), wk = 0.0040323 k( 184) = ( 0.0394737 0.4605263 0.0394737), wk = 0.0040323 k( 185) = ( 0.0263158 0.4736842 0.0263158), wk = 0.0040323 k( 186) = ( 0.0131579 0.4868421 0.0131579), wk = 0.0040323 k( 187) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0040323 k( 188) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0040323 k( 189) = ( -0.0165199 0.5034801 0.0165199), wk = 0.0040323 k( 190) = ( -0.0330399 0.5069601 0.0330399), wk = 0.0040323 k( 191) = ( -0.0495598 0.5104402 0.0495598), wk = 0.0040323 k( 192) = ( -0.0660797 0.5139203 0.0660797), wk = 0.0040323 k( 193) = ( -0.0825996 0.5174003 0.0825996), wk = 0.0040323 k( 194) = ( -0.0991196 0.5208804 0.0991196), wk = 0.0040323 k( 195) = ( -0.1156395 0.5243605 0.1156395), wk = 0.0040323 k( 196) = ( -0.1321595 0.5278405 0.1321595), wk = 0.0040323 k( 197) = ( -0.1486794 0.5313206 0.1486794), wk = 0.0040323 k( 198) = ( -0.1651993 0.5348007 0.1651993), wk = 0.0040323 k( 199) = ( -0.1817192 0.5382808 0.1817192), wk = 0.0040323 k( 200) = ( -0.1982392 0.5417608 0.1982392), wk = 0.0040323 k( 201) = ( -0.2147591 0.5452409 0.2147591), wk = 0.0040323 k( 202) = ( -0.2312790 0.5487210 0.2312790), wk = 0.0040323 k( 203) = ( -0.2477990 0.5522010 0.2477990), wk = 0.0040323 k( 204) = ( -0.2643189 0.5556811 0.2643189), wk = 0.0040323 k( 205) = ( -0.2808388 0.5591612 0.2808388), wk = 0.0040323 k( 206) = ( -0.2973588 0.5626412 0.2973588), wk = 0.0040323 k( 207) = ( -0.3138787 0.5661213 0.3138787), wk = 0.0040323 k( 208) = ( -0.3303986 0.5696014 0.3303986), wk = 0.0040323 k( 209) = ( -0.3469185 0.5730814 0.3469186), wk = 0.0040323 k( 210) = ( -0.3634385 0.5765615 0.3634385), wk = 0.0040323 k( 211) = ( -0.3799584 0.5800416 0.3799584), wk = 0.0040323 k( 212) = ( -0.3964783 0.5835217 0.3964783), wk = 0.0040323 k( 213) = ( -0.4129983 0.5870017 0.4129983), wk = 0.0040323 k( 214) = ( -0.4129983 0.5870017 0.4129983), wk = 0.0040323 k( 215) = ( -0.4226651 0.5773349 0.4226651), wk = 0.0040323 k( 216) = ( -0.4323320 0.5676680 0.4323320), wk = 0.0040323 k( 217) = ( -0.4419988 0.5580011 0.4419989), wk = 0.0040323 k( 218) = ( -0.4516657 0.5483343 0.4516657), wk = 0.0040323 k( 219) = ( -0.4613326 0.5386674 0.4613326), wk = 0.0040323 k( 220) = ( -0.4709994 0.5290006 0.4709994), wk = 0.0040323 k( 221) = ( -0.4806663 0.5193337 0.4806663), wk = 0.0040323 k( 222) = ( -0.4903331 0.5096669 0.4903331), wk = 0.0040323 k( 223) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0040323 k( 224) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0040323 k( 225) = ( 0.0104167 0.0104167 0.4895833), wk = 0.0040323 k( 226) = ( 0.0208333 0.0208333 0.4791667), wk = 0.0040323 k( 227) = ( 0.0312500 0.0312500 0.4687500), wk = 0.0040323 k( 228) = ( 0.0416667 0.0416667 0.4583333), wk = 0.0040323 k( 229) = ( 0.0520833 0.0520833 0.4479167), wk = 0.0040323 k( 230) = ( 0.0625000 0.0625000 0.4375000), wk = 0.0040323 k( 231) = ( 0.0729167 0.0729167 0.4270833), wk = 0.0040323 k( 232) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0040323 k( 233) = ( 0.0937500 0.0937500 0.4062500), wk = 0.0040323 k( 234) = ( 0.1041667 0.1041667 0.3958333), wk = 0.0040323 k( 235) = ( 0.1145833 0.1145833 0.3854167), wk = 0.0040323 k( 236) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0040323 k( 237) = ( 0.1354167 0.1354167 0.3645833), wk = 0.0040323 k( 238) = ( 0.1458333 0.1458333 0.3541667), wk = 0.0040323 k( 239) = ( 0.1562500 0.1562500 0.3437500), wk = 0.0040323 k( 240) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0040323 k( 241) = ( 0.1770833 0.1770833 0.3229167), wk = 0.0040323 k( 242) = ( 0.1875000 0.1875000 0.3125000), wk = 0.0040323 k( 243) = ( 0.1979167 0.1979167 0.3020833), wk = 0.0040323 k( 244) = ( 0.2083333 0.2083333 0.2916667), wk = 0.0040323 k( 245) = ( 0.2187500 0.2187500 0.2812500), wk = 0.0040323 k( 246) = ( 0.2291667 0.2291667 0.2708333), wk = 0.0040323 k( 247) = ( 0.2395833 0.2395833 0.2604167), wk = 0.0040323 k( 248) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0040323 Dense grid: 154049 G-vectors FFT dimensions: ( 75, 75, 75) Smooth grid: 115913 G-vectors FFT dimensions: ( 72, 72, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.73 Mb ( 830, 58) NL pseudopotentials 1.47 Mb ( 415, 232) Each V/rho on FFT grid 0.26 Mb ( 16875) Each G-vector array 0.03 Mb ( 4279) G-vector shells 0.01 Mb ( 1935) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.94 Mb ( 830, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.41 Mb ( 232, 2, 58) The potential is recalculated from file : ./NaAlTe2.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 4.4 secs Computing kpt #: 2 total cpu time spent up to now is 5.7 secs Computing kpt #: 3 total cpu time spent up to now is 6.9 secs Computing kpt #: 4 total cpu time spent up to now is 8.2 secs Computing kpt #: 5 total cpu time spent up to now is 9.9 secs Computing kpt #: 6 total cpu time spent up to now is 11.5 secs Computing kpt #: 7 total cpu time spent up to now is 12.8 secs Computing kpt #: 8 total cpu time spent up to now is 14.0 secs Computing kpt #: 9 total cpu time spent up to now is 15.3 secs Computing kpt #: 10 total cpu time spent up to now is 16.5 secs Computing kpt #: 11 total cpu time spent up to now is 17.8 secs Computing kpt #: 12 total cpu time spent up to now is 19.1 secs Computing kpt #: 13 total cpu time spent up to now is 20.4 secs Computing kpt #: 14 total cpu time spent up to now is 21.8 secs Computing kpt #: 15 total cpu time spent up to now is 23.0 secs Computing kpt #: 16 total cpu time spent up to now is 24.3 secs Computing kpt #: 17 total cpu time spent up to now is 25.5 secs Computing kpt #: 18 total cpu time spent up to now is 27.0 secs Computing kpt #: 19 total cpu time spent up to now is 28.2 secs Computing kpt #: 20 total cpu time spent up to now is 29.7 secs Computing kpt #: 21 total cpu time spent up to now is 31.1 secs Computing kpt #: 22 total cpu time spent up to now is 32.6 secs Computing kpt #: 23 total cpu time spent up to now is 34.0 secs Computing kpt #: 24 total cpu time spent up to now is 35.3 secs Computing kpt #: 25 total cpu time spent up to now is 36.6 secs Computing kpt #: 26 total cpu time spent up to now is 38.0 secs Computing kpt #: 27 total cpu time spent up to now is 39.5 secs Computing kpt #: 28 total cpu time spent up to now is 40.9 secs Computing kpt #: 29 total cpu time spent up to now is 42.3 secs Computing kpt #: 30 total cpu time spent up to now is 43.7 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kpt #: 62 total cpu time spent up to now is 96.4 secs Computing kpt #: 63 total cpu time spent up to now is 98.1 secs Computing kpt #: 64 total cpu time spent up to now is 99.7 secs Computing kpt #: 65 total cpu time spent up to now is 101.2 secs Computing kpt #: 66 total cpu time spent up to now is 102.6 secs Computing kpt #: 67 total cpu time spent up to now is 104.0 secs Computing kpt #: 68 total cpu time spent up to now is 105.5 secs Computing kpt #: 69 total cpu time spent up to now is 106.8 secs Computing kpt #: 70 total cpu time spent up to now is 108.2 secs Computing kpt #: 71 total cpu time spent up to now is 109.7 secs Computing kpt #: 72 total cpu time spent up to now is 111.1 secs Computing kpt #: 73 total cpu time spent up to now is 112.6 secs Computing kpt #: 74 total cpu time spent up to now is 113.8 secs Computing kpt #: 75 total cpu time spent up to now is 115.2 secs Computing kpt #: 76 total cpu time spent up to now is 116.7 secs Computing kpt #: 77 total cpu time 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kpt #: 108 total cpu time spent up to now is 158.7 secs Computing kpt #: 109 total cpu time spent up to now is 160.1 secs Computing kpt #: 110 total cpu time spent up to now is 161.4 secs Computing kpt #: 111 total cpu time spent up to now is 162.7 secs Computing kpt #: 112 total cpu time spent up to now is 163.9 secs Computing kpt #: 113 total cpu time spent up to now is 165.2 secs Computing kpt #: 114 total cpu time spent up to now is 166.5 secs Computing kpt #: 115 total cpu time spent up to now is 167.9 secs Computing kpt #: 116 total cpu time spent up to now is 169.3 secs Computing kpt #: 117 total cpu time spent up to now is 170.8 secs Computing kpt #: 118 total cpu time spent up to now is 172.0 secs Computing kpt #: 119 total cpu time spent up to now is 173.5 secs Computing kpt #: 120 total cpu time spent up to now is 174.9 secs Computing kpt #: 121 total cpu time spent up to now is 176.2 secs Computing kpt #: 122 total cpu time spent up to now is 177.5 secs Computing kpt #: 123 total cpu time spent up to now is 178.7 secs Computing kpt #: 124 total cpu time spent up to now is 180.0 secs Computing kpt #: 125 total cpu time spent up to now is 181.2 secs Computing kpt #: 126 total cpu time spent up to now is 182.5 secs Computing kpt #: 127 total cpu time spent up to now is 183.7 secs Computing kpt #: 128 total cpu time spent up to now is 185.0 secs Computing kpt #: 129 total cpu time spent up to now is 186.2 secs Computing kpt #: 130 total cpu time spent up to now is 187.4 secs Computing kpt #: 131 total cpu time spent up to now is 188.7 secs Computing kpt #: 132 total cpu time spent up to now is 189.9 secs Computing kpt #: 133 total cpu time spent up to now is 191.1 secs Computing kpt #: 134 total cpu time spent up to now is 192.3 secs Computing kpt #: 135 total cpu time spent up to now is 193.5 secs Computing kpt #: 136 total cpu time spent up to now is 194.8 secs Computing kpt #: 137 total cpu time spent up to now is 196.0 secs Computing kpt #: 138 total cpu 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up to now is 216.8 secs Computing kpt #: 154 total cpu time spent up to now is 218.0 secs Computing kpt #: 155 total cpu time spent up to now is 219.2 secs Computing kpt #: 156 total cpu time spent up to now is 220.5 secs Computing kpt #: 157 total cpu time spent up to now is 221.7 secs Computing kpt #: 158 total cpu time spent up to now is 222.9 secs Computing kpt #: 159 total cpu time spent up to now is 224.1 secs Computing kpt #: 160 total cpu time spent up to now is 225.2 secs Computing kpt #: 161 total cpu time spent up to now is 226.4 secs Computing kpt #: 162 total cpu time spent up to now is 227.7 secs Computing kpt #: 163 total cpu time spent up to now is 228.9 secs Computing kpt #: 164 total cpu time spent up to now is 230.1 secs Computing kpt #: 165 total cpu time spent up to now is 231.4 secs Computing kpt #: 166 total cpu time spent up to now is 232.6 secs Computing kpt #: 167 total cpu time spent up to now is 234.1 secs Computing kpt #: 168 total cpu time spent up to now is 235.6 secs Computing kpt #: 169 total cpu time spent up to now is 237.1 secs Computing kpt #: 170 total cpu time spent up to now is 238.6 secs Computing kpt #: 171 total cpu time spent up to now is 240.0 secs Computing kpt #: 172 total cpu time spent up to now is 241.5 secs Computing kpt #: 173 total cpu time spent up to now is 243.0 secs Computing kpt #: 174 total cpu time spent up to now is 244.5 secs Computing kpt #: 175 total cpu time spent up to now is 245.9 secs Computing kpt #: 176 total cpu time spent up to now is 247.4 secs Computing kpt #: 177 total cpu time spent up to now is 248.9 secs Computing kpt #: 178 total cpu time spent up to now is 250.5 secs Computing kpt #: 179 total cpu time spent up to now is 252.0 secs Computing kpt #: 180 total cpu time spent up to now is 253.5 secs Computing kpt #: 181 total cpu time spent up to now is 255.0 secs Computing kpt #: 182 total cpu time spent up to now is 256.5 secs Computing kpt #: 183 total cpu time spent up to now is 259.2 secs Computing kpt #: 184 total cpu time spent up to now is 260.8 secs Computing kpt #: 185 total cpu time spent up to now is 262.2 secs Computing kpt #: 186 total cpu time spent up to now is 263.6 secs Computing kpt #: 187 total cpu time spent up to now is 264.9 secs Computing kpt #: 188 total cpu time spent up to now is 266.1 secs Computing kpt #: 189 total cpu time spent up to now is 267.6 secs Computing kpt #: 190 total cpu time spent up to now is 269.1 secs Computing kpt #: 191 total cpu time spent up to now is 270.7 secs Computing kpt #: 192 total cpu time spent up to now is 272.2 secs Computing kpt #: 193 total cpu time spent up to now is 273.7 secs Computing kpt #: 194 total cpu time spent up to now is 275.2 secs Computing kpt #: 195 total cpu time spent up to now is 276.6 secs Computing kpt #: 196 total cpu time spent up to now is 278.1 secs Computing kpt #: 197 total cpu time spent up to now is 279.6 secs Computing kpt #: 198 total cpu time spent up to now is 281.0 secs Computing kpt #: 199 total cpu time spent up to now is 282.7 secs Computing kpt #: 200 total cpu time spent up to now is 284.3 secs Computing kpt #: 201 total cpu time spent up to now is 285.7 secs Computing kpt #: 202 total cpu time spent up to now is 287.2 secs Computing kpt #: 203 total cpu time spent up to now is 288.7 secs Computing kpt #: 204 total cpu time spent up to now is 289.9 secs Computing kpt #: 205 total cpu time spent up to now is 291.2 secs Computing kpt #: 206 total cpu time spent up to now is 292.5 secs Computing kpt #: 207 total cpu time spent up to now is 293.7 secs Computing kpt #: 208 total cpu time spent up to now is 294.9 secs Computing kpt #: 209 total cpu time spent up to now is 296.2 secs Computing kpt #: 210 total cpu time spent up to now is 297.4 secs Computing kpt #: 211 total cpu time spent up to now is 298.6 secs Computing kpt #: 212 total cpu time spent up to now is 299.8 secs Computing kpt #: 213 total cpu time spent up to now is 301.1 secs Computing kpt #: 214 total cpu time spent up to now is 302.3 secs Computing kpt #: 215 total cpu time spent up to now is 303.5 secs Computing kpt #: 216 total cpu time spent up to now is 304.7 secs Computing kpt #: 217 total cpu time spent up to now is 305.9 secs Computing kpt #: 218 total cpu time spent up to now is 307.2 secs Computing kpt #: 219 total cpu time spent up to now is 308.4 secs Computing kpt #: 220 total cpu time spent up to now is 310.2 secs Computing kpt #: 221 total cpu time spent up to now is 311.8 secs Computing kpt #: 222 total cpu time spent up to now is 313.2 secs Computing kpt #: 223 total cpu time spent up to now is 314.6 secs Computing kpt #: 224 total cpu time spent up to now is 316.0 secs Computing kpt #: 225 total cpu time spent up to now is 317.5 secs Computing kpt #: 226 total cpu time spent up to now is 318.9 secs Computing kpt #: 227 total cpu time spent up to now is 320.2 secs Computing kpt #: 228 total cpu time spent up to now is 321.5 secs Computing kpt #: 229 total cpu time spent up to now is 322.9 secs Computing kpt #: 230 total cpu time spent up to now is 324.4 secs Computing kpt #: 231 total cpu time spent up to now is 325.8 secs Computing kpt #: 232 total cpu time spent up to now is 327.3 secs Computing kpt #: 233 total cpu time spent up to now is 328.5 secs Computing kpt #: 234 total cpu time spent up to now is 329.8 secs Computing kpt #: 235 total cpu time spent up to now is 331.0 secs Computing kpt #: 236 total cpu time spent up to now is 332.3 secs Computing kpt #: 237 total cpu time spent up to now is 333.6 secs Computing kpt #: 238 total cpu time spent up to now is 334.8 secs Computing kpt #: 239 total cpu time spent up to now is 336.1 secs Computing kpt #: 240 total cpu time spent up to now is 337.4 secs Computing kpt #: 241 total cpu time spent up to now is 338.6 secs Computing kpt #: 242 total cpu time spent up to now is 339.8 secs Computing kpt #: 243 total cpu time spent up to now is 341.0 secs Computing kpt #: 244 total cpu time spent up to now is 342.1 secs Computing kpt #: 245 total cpu time spent up to now is 343.3 secs Computing kpt #: 246 total cpu time spent up to now is 344.5 secs Computing kpt #: 247 total cpu time spent up to now is 345.7 secs Computing kpt #: 248 total cpu time spent up to now is 347.2 secs ethr = 2.08E-08, avg # of iterations = 22.7 total cpu time spent up to now is 347.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 14545 PWs) bands (ev): -47.8738 -47.8738 -47.8712 -47.8712 -19.9206 -19.9206 -19.9012 -19.9012 -19.7522 -19.7522 -19.7254 -19.7254 -19.7189 -19.7189 -19.7130 -19.7130 -7.2400 -7.2400 -5.9648 -5.9648 -5.5206 -5.5206 -5.5197 -5.5197 -0.3862 -0.3862 -0.1315 -0.1315 0.3173 0.3173 1.1611 1.1611 1.1825 1.1825 1.3603 1.3603 1.6578 1.6578 2.9248 2.9248 3.4738 3.4738 3.7229 3.7229 4.2635 4.2635 4.3504 4.3504 6.2619 6.2619 7.0581 7.0581 8.1228 8.1228 8.2352 8.2352 8.3374 8.3374 k = 0.0000 0.0000 0.0213 ( 14573 PWs) bands (ev): -47.8738 -47.8738 -47.8712 -47.8712 -19.9206 -19.9206 -19.9012 -19.9012 -19.7523 -19.7523 -19.7254 -19.7254 -19.7190 -19.7190 -19.7131 -19.7131 -7.2393 -7.2393 -5.9650 -5.9650 -5.5216 -5.5216 -5.5198 -5.5198 -0.3882 -0.3882 -0.1324 -0.1324 0.3189 0.3189 1.1628 1.1628 1.1846 1.1846 1.3626 1.3626 1.6602 1.6602 2.9269 2.9269 3.4683 3.4683 3.7205 3.7205 4.2612 4.2612 4.3489 4.3489 6.2709 6.2709 7.0608 7.0608 8.0752 8.0752 8.2577 8.2577 8.3601 8.3601 k = 0.0000 0.0000 0.0426 ( 14551 PWs) bands (ev): -47.8738 -47.8738 -47.8712 -47.8712 -19.9206 -19.9206 -19.9012 -19.9012 -19.7523 -19.7523 -19.7254 -19.7254 -19.7189 -19.7189 -19.7131 -19.7131 -7.2371 -7.2371 -5.9657 -5.9657 -5.5252 -5.5252 -5.5199 -5.5199 -0.3942 -0.3942 -0.1349 -0.1349 0.3237 0.3237 1.1658 1.1658 1.1928 1.1928 1.3695 1.3695 1.6674 1.6674 2.9329 2.9329 3.4520 3.4520 3.7129 3.7129 4.2531 4.2531 4.3463 4.3463 6.2973 6.2973 7.0690 7.0690 7.9875 7.9875 8.2805 8.2805 8.4174 8.4174 k = 0.0000 0.0000 0.0640 ( 14533 PWs) bands (ev): -47.8738 -47.8738 -47.8712 -47.8712 -19.9206 -19.9206 -19.9011 -19.9011 -19.7522 -19.7522 -19.7254 -19.7254 -19.7189 -19.7189 -19.7131 -19.7131 -7.2334 -7.2334 -5.9669 -5.9669 -5.5312 -5.5312 -5.5199 -5.5199 -0.4039 -0.4039 -0.1390 -0.1390 0.3317 0.3317 1.1669 1.1669 1.2100 1.2100 1.3801 1.3801 1.6797 1.6797 2.9429 2.9429 3.4263 3.4263 3.6992 3.6992 4.2367 4.2367 4.3462 4.3462 6.3395 6.3395 7.0827 7.0827 7.8900 7.8900 8.2977 8.2977 8.4832 8.4832 k = 0.0000 0.0000 0.0853 ( 14519 PWs) bands (ev): -47.8738 -47.8738 -47.8712 -47.8712 -19.9206 -19.9206 -19.9011 -19.9011 -19.7522 -19.7522 -19.7253 -19.7253 -19.7189 -19.7189 -19.7130 -19.7130 -7.2283 -7.2283 -5.9685 -5.9685 -5.5395 -5.5395 -5.5199 -5.5199 -0.4170 -0.4170 -0.1443 -0.1443 0.3427 0.3427 1.1663 1.1663 1.2358 1.2358 1.3937 1.3937 1.6977 1.6977 2.9566 2.9566 3.3926 3.3926 3.6782 3.6782 4.2115 4.2115 4.3504 4.3504 6.3954 6.3954 7.1017 7.1017 7.7896 7.7896 8.3138 8.3138 8.5404 8.5404 k = 0.0000 0.0000 0.1066 ( 14517 PWs) bands (ev): -47.8738 -47.8738 -47.8712 -47.8712 -19.9206 -19.9206 -19.9011 -19.9011 -19.7522 -19.7522 -19.7253 -19.7253 -19.7189 -19.7189 -19.7130 -19.7130 -7.2217 -7.2217 -5.9706 -5.9706 -5.5501 -5.5501 -5.5199 -5.5199 -0.4331 -0.4331 -0.1507 -0.1507 0.3569 0.3569 1.1649 1.1649 1.2690 1.2690 1.4090 1.4090 1.7219 1.7219 2.9737 2.9737 3.3525 3.3525 3.6493 3.6493 4.1798 4.1798 4.3584 4.3584 6.4619 6.4619 7.1262 7.1262 7.6896 7.6896 8.3255 8.3255 8.5616 8.5616 k = 0.0000 0.0000 0.1279 ( 14523 PWs) bands (ev): -47.8738 -47.8738 -47.8711 -47.8711 -19.9206 -19.9206 -19.9012 -19.9012 -19.7522 -19.7522 -19.7254 -19.7254 -19.7189 -19.7189 -19.7130 -19.7130 -7.2138 -7.2138 -5.9731 -5.9731 -5.5627 -5.5627 -5.5200 -5.5200 -0.4515 -0.4515 -0.1577 -0.1577 0.3742 0.3742 1.1628 1.1628 1.3087 1.3087 1.4251 1.4251 1.7527 1.7527 2.9938 2.9938 3.3076 3.3076 3.6121 3.6121 4.1444 4.1444 4.3687 4.3687 6.5358 6.5358 7.1560 7.1560 7.5930 7.5930 8.3213 8.3213 8.5379 8.5379 k = 0.0000 0.0000 0.1493 ( 14519 PWs) bands (ev): -47.8738 -47.8738 -47.8711 -47.8711 -19.9205 -19.9205 -19.9012 -19.9012 -19.7522 -19.7522 -19.7254 -19.7254 -19.7189 -19.7189 -19.7130 -19.7130 -7.2046 -7.2046 -5.9761 -5.9761 -5.5773 -5.5773 -5.5200 -5.5200 -0.4719 -0.4719 -0.1650 -0.1650 0.3944 0.3944 1.1604 1.1604 1.3541 1.3541 1.4414 1.4414 1.7898 1.7898 3.0159 3.0159 3.2596 3.2596 3.5671 3.5671 4.1076 4.1076 4.3798 4.3798 6.6127 6.6127 7.1910 7.1910 7.5032 7.5032 8.2852 8.2852 8.5245 8.5245 k = 0.0000 0.0000 0.1706 ( 14503 PWs) bands (ev): -47.8738 -47.8738 -47.8711 -47.8711 -19.9205 -19.9205 -19.9011 -19.9011 -19.7522 -19.7522 -19.7253 -19.7253 -19.7189 -19.7189 -19.7130 -19.7130 -7.1941 -7.1941 -5.9794 -5.9794 -5.5938 -5.5938 -5.5200 -5.5200 -0.4938 -0.4938 -0.1724 -0.1724 0.4176 0.4176 1.1578 1.1578 1.4037 1.4037 1.4584 1.4584 1.8329 1.8329 3.0382 3.0382 3.2107 3.2107 3.5154 3.5154 4.0704 4.0704 4.3907 4.3907 6.6870 6.6870 7.2312 7.2312 7.4254 7.4254 8.2187 8.2187 8.5348 8.5348 k = 0.0000 0.0000 0.1919 ( 14499 PWs) bands (ev): -47.8738 -47.8738 -47.8711 -47.8711 -19.9205 -19.9205 -19.9011 -19.9011 -19.7522 -19.7522 -19.7253 -19.7253 -19.7189 -19.7189 -19.7130 -19.7130 -7.1823 -7.1823 -5.9832 -5.9832 -5.6118 -5.6118 -5.5200 -5.5200 -0.5166 -0.5166 -0.1796 -0.1796 0.4436 0.4436 1.1550 1.1550 1.4511 1.4511 1.4818 1.4818 1.8809 1.8809 3.0546 3.0546 3.1668 3.1668 3.4593 3.4593 4.0332 4.0332 4.4007 4.4007 6.7499 6.7499 7.2764 7.2764 7.3675 7.3675 8.1360 8.1360 8.5569 8.5569 k = 0.0000 0.0000 0.2132 ( 14499 PWs) bands (ev): -47.8738 -47.8738 -47.8711 -47.8711 -19.9205 -19.9205 -19.9011 -19.9011 -19.7522 -19.7522 -19.7253 -19.7253 -19.7189 -19.7189 -19.7130 -19.7130 -7.1695 -7.1695 -5.9874 -5.9874 -5.6312 -5.6312 -5.5200 -5.5200 -0.5400 -0.5400 -0.1863 -0.1863 0.4725 0.4725 1.1521 1.1521 1.4772 1.4772 1.5302 1.5302 1.9326 1.9326 3.0478 3.0478 3.1439 3.1439 3.4024 3.4024 3.9960 3.9960 4.4093 4.4093 6.7897 6.7897 7.3240 7.3240 7.3430 7.3430 8.0468 8.0468 8.5806 8.5806 k = 0.0000 0.0000 0.2346 ( 14499 PWs) bands (ev): -47.8738 -47.8738 -47.8711 -47.8711 -19.9205 -19.9205 -19.9011 -19.9011 -19.7522 -19.7522 -19.7254 -19.7254 -19.7189 -19.7189 -19.7130 -19.7130 -7.1556 -7.1556 -5.9921 -5.9921 -5.6518 -5.6518 -5.5200 -5.5200 -0.5635 -0.5635 -0.1924 -0.1924 0.5041 0.5041 1.1492 1.1492 1.4933 1.4933 1.5921 1.5921 1.9862 1.9862 3.0099 3.0099 3.1449 3.1449 3.3520 3.3520 3.9584 3.9584 4.4159 4.4159 6.7971 6.7971 7.3500 7.3500 7.3846 7.3846 7.9556 7.9556 8.5991 8.5991 k = 0.0000 0.0000 0.2559 ( 14499 PWs) bands (ev): -47.8738 -47.8738 -47.8711 -47.8711 -19.9205 -19.9205 -19.9012 -19.9012 -19.7522 -19.7522 -19.7254 -19.7254 -19.7189 -19.7189 -19.7130 -19.7130 -7.1409 -7.1409 -5.9971 -5.9971 -5.6732 -5.6732 -5.5200 -5.5200 -0.5868 -0.5868 -0.1978 -0.1978 0.5382 0.5382 1.1464 1.1464 1.5077 1.5077 1.6589 1.6589 2.0396 2.0396 2.9605 2.9605 3.1389 3.1389 3.3220 3.3220 3.9197 3.9197 4.4203 4.4203 6.7750 6.7750 7.3984 7.3984 7.4446 7.4446 7.8651 7.8651 8.6075 8.6075 k = 0.0000 0.0000 0.2772 ( 14495 PWs) bands (ev): -47.8738 -47.8738 -47.8711 -47.8711 -19.9205 -19.9205 -19.9012 -19.9012 -19.7522 -19.7522 -19.7254 -19.7254 -19.7189 -19.7189 -19.7130 -19.7130 -7.1253 -7.1253 -6.0025 -6.0025 -5.6952 -5.6952 -5.5201 -5.5201 -0.6097 -0.6097 -0.2024 -0.2024 0.5748 0.5748 1.1438 1.1438 1.5219 1.5219 1.7289 1.7289 2.0904 2.0904 2.9099 2.9099 3.1068 3.1068 3.3240 3.3240 3.8797 3.8797 4.4222 4.4222 6.7353 6.7353 7.4690 7.4690 7.5100 7.5100 7.7775 7.7775 8.6023 8.6023 k = 0.0000 0.0000 0.2985 ( 14499 PWs) bands (ev): -47.8738 -47.8738 -47.8711 -47.8711 -19.9205 -19.9205 -19.9012 -19.9012 -19.7522 -19.7522 -19.7254 -19.7254 -19.7189 -19.7189 -19.7130 -19.7130 -7.1091 -7.1091 -6.0084 -6.0084 -5.7175 -5.7175 -5.5201 -5.5201 -0.6318 -0.6318 -0.2061 -0.2061 0.6136 0.6136 1.1416 1.1416 1.5362 1.5362 1.8013 1.8013 2.1354 2.1354 2.8621 2.8621 3.0565 3.0565 3.3492 3.3492 3.8377 3.8377 4.4216 4.4216 6.6890 6.6890 7.5483 7.5483 7.5802 7.5802 7.6960 7.6960 8.5821 8.5821 k = 0.0000 0.0000 0.3199 ( 14499 PWs) bands (ev): -47.8738 -47.8738 -47.8711 -47.8711 -19.9205 -19.9205 -19.9012 -19.9012 -19.7522 -19.7522 -19.7254 -19.7254 -19.7189 -19.7189 -19.7130 -19.7130 -7.0925 -7.0925 -6.0148 -6.0148 -5.7396 -5.7396 -5.5201 -5.5201 -0.6530 -0.6530 -0.2090 -0.2090 0.6544 0.6544 1.1398 1.1398 1.5509 1.5509 1.8755 1.8755 2.1709 2.1709 2.8201 2.8201 3.0011 3.0011 3.3854 3.3854 3.7937 3.7937 4.4184 4.4184 6.6428 6.6428 7.5893 7.5893 7.6478 7.6478 7.6684 7.6684 8.5479 8.5479 k = 0.0000 0.0000 0.3412 ( 14495 PWs) bands (ev): -47.8738 -47.8738 -47.8711 -47.8711 -19.9205 -19.9205 -19.9012 -19.9012 -19.7522 -19.7522 -19.7254 -19.7254 -19.7189 -19.7189 -19.7130 -19.7130 -7.0755 -7.0755 -6.0216 -6.0216 -5.7613 -5.7613 -5.5201 -5.5201 -0.6730 -0.6730 -0.2112 -0.2112 0.6969 0.6969 1.1387 1.1387 1.5659 1.5659 1.9509 1.9509 2.1926 2.1926 2.7859 2.7859 2.9485 2.9485 3.4268 3.4268 3.7472 3.7472 4.4126 4.4126 6.6006 6.6006 7.5258 7.5258 7.7243 7.7243 7.7454 7.7454 8.5028 8.5028 k = 0.0000 0.0000 0.3625 ( 14479 PWs) bands (ev): -47.8738 -47.8738 -47.8711 -47.8711 -19.9205 -19.9205 -19.9012 -19.9012 -19.7521 -19.7521 -19.7254 -19.7254 -19.7189 -19.7189 -19.7129 -19.7129 -7.0585 -7.0585 -6.0289 -6.0289 -5.7821 -5.7821 -5.5201 -5.5201 -0.6918 -0.6918 -0.2126 -0.2126 0.7405 0.7405 1.1386 1.1386 1.5813 1.5813 2.0267 2.0267 2.1972 2.1972 2.7589 2.7589 2.9051 2.9051 3.4707 3.4707 3.6983 3.6983 4.4042 4.4042 6.5646 6.5646 7.4567 7.4567 7.8061 7.8061 7.8289 7.8289 8.4505 8.4505 k = 0.0000 0.0000 0.3838 ( 14465 PWs) bands (ev): -47.8738 -47.8738 -47.8711 -47.8711 -19.9205 -19.9205 -19.9012 -19.9012 -19.7521 -19.7521 -19.7254 -19.7254 -19.7189 -19.7189 -19.7129 -19.7129 -7.0417 -7.0417 -6.0367 -6.0367 -5.8017 -5.8017 -5.5201 -5.5201 -0.7091 -0.7091 -0.2135 -0.2135 0.7846 0.7846 1.1397 1.1397 1.5970 1.5970 2.1015 2.1015 2.1844 2.1844 2.7342 2.7342 2.8782 2.8782 3.5156 3.5156 3.6472 3.6472 4.3934 4.3934 6.5361 6.5361 7.3922 7.3922 7.8874 7.8874 7.9126 7.9126 8.3948 8.3948 k = 0.0000 0.0000 0.4052 ( 14459 PWs) bands (ev): -47.8738 -47.8738 -47.8711 -47.8711 -19.9205 -19.9205 -19.9012 -19.9012 -19.7521 -19.7521 -19.7254 -19.7254 -19.7189 -19.7189 -19.7129 -19.7129 -7.0254 -7.0254 -6.0449 -6.0449 -5.8197 -5.8197 -5.5202 -5.5202 -0.7248 -0.7248 -0.2138 -0.2138 0.8282 0.8282 1.1428 1.1428 1.6128 1.6128 2.1508 2.1508 2.1796 2.1796 2.7068 2.7068 2.8720 2.8720 3.5591 3.5591 3.5954 3.5954 4.3805 4.3805 6.5158 6.5158 7.3335 7.3335 7.9620 7.9620 7.9999 7.9999 8.3388 8.3388 k = 0.0000 0.0000 0.4265 ( 14447 PWs) bands (ev): -47.8738 -47.8738 -47.8711 -47.8711 -19.9204 -19.9204 -19.9012 -19.9012 -19.7521 -19.7521 -19.7254 -19.7254 -19.7189 -19.7189 -19.7129 -19.7129 -7.0098 -7.0098 -6.0533 -6.0533 -5.8358 -5.8358 -5.5202 -5.5202 -0.7390 -0.7390 -0.2138 -0.2138 0.8703 0.8703 1.1484 1.1484 1.6283 1.6283 2.1133 2.1133 2.2461 2.2461 2.6790 2.6790 2.8820 2.8820 3.5362 3.5362 3.6072 3.6072 4.3658 4.3658 6.5038 6.5038 7.2811 7.2811 8.0258 8.0258 8.0930 8.0930 8.2849 8.2849 k = 0.0000 0.0000 0.4478 ( 14467 PWs) bands (ev): -47.8738 -47.8738 -47.8711 -47.8711 -19.9205 -19.9205 -19.9012 -19.9012 -19.7521 -19.7521 -19.7254 -19.7254 -19.7189 -19.7189 -19.7129 -19.7129 -6.9953 -6.9953 -6.0618 -6.0618 -5.8499 -5.8499 -5.5202 -5.5202 -0.7513 -0.7513 -0.2134 -0.2134 0.9089 0.9089 1.1575 1.1575 1.6431 1.6431 2.0667 2.0667 2.3073 2.3073 2.6577 2.6577 2.9005 2.9005 3.4802 3.4802 3.6492 3.6492 4.3498 4.3498 6.4997 6.4997 7.2354 7.2354 8.0770 8.0770 8.1889 8.1889 8.2341 8.2341 k = 0.0000 0.0000 0.4691 ( 14459 PWs) bands (ev): -47.8738 -47.8738 -47.8711 -47.8711 -19.9205 -19.9205 -19.9012 -19.9012 -19.7521 -19.7521 -19.7254 -19.7254 -19.7189 -19.7189 -19.7129 -19.7129 -6.9823 -6.9823 -6.0700 -6.0700 -5.8618 -5.8618 -5.5202 -5.5202 -0.7619 -0.7619 -0.2129 -0.2129 0.9423 0.9423 1.1710 1.1710 1.6566 1.6566 2.0175 2.0175 2.3549 2.3549 2.6509 2.6509 2.9211 2.9211 3.4236 3.4236 3.6890 3.6890 4.3330 4.3330 6.5025 6.5025 7.1966 7.1966 8.0892 8.0892 8.1597 8.1597 8.1947 8.1947 k = 0.0000 0.0000 0.4905 ( 14457 PWs) bands (ev): -47.8738 -47.8738 -47.8711 -47.8711 -19.9204 -19.9204 -19.9012 -19.9012 -19.7521 -19.7521 -19.7254 -19.7254 -19.7189 -19.7189 -19.7129 -19.7129 -6.9710 -6.9710 -6.0775 -6.0775 -5.8714 -5.8714 -5.5202 -5.5202 -0.7707 -0.7707 -0.2124 -0.2124 0.9689 0.9689 1.1889 1.1889 1.6682 1.6682 1.9696 1.9696 2.3834 2.3834 2.6645 2.6645 2.9394 2.9394 3.3686 3.3686 3.7249 3.7249 4.3165 4.3165 6.5105 6.5105 7.1647 7.1647 8.0021 8.0021 8.1534 8.1534 8.1767 8.1767 k = 0.0000 0.0000 0.5118 ( 14455 PWs) bands (ev): -47.8738 -47.8738 -47.8711 -47.8711 -19.9204 -19.9204 -19.9012 -19.9012 -19.7521 -19.7521 -19.7254 -19.7254 -19.7189 -19.7189 -19.7129 -19.7129 -6.9618 -6.9618 -6.0839 -6.0839 -5.8788 -5.8788 -5.5202 -5.5202 -0.7775 -0.7775 -0.2118 -0.2118 0.9880 0.9880 1.2095 1.2095 1.6772 1.6772 1.9268 1.9268 2.3941 2.3941 2.6963 2.6963 2.9524 2.9524 3.3181 3.3181 3.7554 3.7554 4.3013 4.3013 6.5215 6.5215 7.1399 7.1399 7.9134 7.9134 8.1248 8.1248 8.2001 8.2001 k = 0.0000 0.0000 0.5331 ( 14457 PWs) bands (ev): -47.8738 -47.8738 -47.8711 -47.8711 -19.9205 -19.9205 -19.9012 -19.9012 -19.7521 -19.7521 -19.7254 -19.7254 -19.7189 -19.7189 -19.7129 -19.7129 -6.9550 -6.9550 -6.0888 -6.0888 -5.8840 -5.8840 -5.5202 -5.5202 -0.7824 -0.7824 -0.2114 -0.2114 1.0004 1.0004 1.2295 1.2295 1.6831 1.6831 1.8929 1.8929 2.3947 2.3947 2.7358 2.7358 2.9582 2.9582 3.2761 3.2761 3.7790 3.7790 4.2889 4.2889 6.5325 6.5325 7.1223 7.1223 7.8451 7.8451 8.1032 8.1032 8.2185 8.2185 k = 0.0000 0.0000 0.5544 ( 14458 PWs) bands (ev): -47.8738 -47.8738 -47.8711 -47.8711 -19.9205 -19.9205 -19.9012 -19.9012 -19.7521 -19.7521 -19.7254 -19.7254 -19.7189 -19.7189 -19.7129 -19.7129 -6.9509 -6.9509 -6.0919 -6.0919 -5.8871 -5.8871 -5.5202 -5.5202 -0.7854 -0.7854 -0.2111 -0.2111 1.0072 1.0072 1.2442 1.2442 1.6860 1.6860 1.8711 1.8711 2.3924 2.3924 2.7694 2.7694 2.9573 2.9573 3.2479 3.2479 3.7939 3.7939 4.2806 4.2806 6.5406 6.5406 7.1117 7.1117 7.8020 7.8020 8.0901 8.0901 8.2296 8.2296 k = 0.0000 0.0000 0.5758 ( 14472 PWs) bands (ev): -47.8738 -47.8738 -47.8711 -47.8711 -19.9205 -19.9205 -19.9012 -19.9012 -19.7521 -19.7521 -19.7254 -19.7254 -19.7189 -19.7189 -19.7129 -19.7129 -6.9495 -6.9495 -6.0930 -6.0930 -5.8882 -5.8882 -5.5202 -5.5202 -0.7863 -0.7863 -0.2110 -0.2110 1.0094 1.0094 1.2496 1.2496 1.6867 1.6867 1.8637 1.8637 2.3913 2.3913 2.7831 2.7831 2.9555 2.9555 3.2379 3.2379 3.7991 3.7991 4.2777 4.2777 6.5436 6.5436 7.1082 7.1082 7.7874 7.7874 8.0857 8.0857 8.2333 8.2333 k = 0.0000 0.0000 0.5758 ( 14472 PWs) bands (ev): -47.8738 -47.8738 -47.8711 -47.8711 -19.9205 -19.9205 -19.9012 -19.9012 -19.7521 -19.7521 -19.7254 -19.7254 -19.7189 -19.7189 -19.7129 -19.7129 -6.9495 -6.9495 -6.0930 -6.0930 -5.8882 -5.8882 -5.5202 -5.5202 -0.7863 -0.7863 -0.2110 -0.2110 1.0094 1.0094 1.2496 1.2496 1.6867 1.6867 1.8637 1.8637 2.3913 2.3913 2.7831 2.7831 2.9555 2.9555 3.2379 3.2379 3.7991 3.7991 4.2777 4.2777 6.5436 6.5436 7.1082 7.1082 7.7874 7.7874 8.0857 8.0857 8.2333 8.2333 k =-0.0185 0.0106 0.5758 ( 14476 PWs) bands (ev): -47.8738 -47.8738 -47.8711 -47.8711 -19.9205 -19.9205 -19.9012 -19.9012 -19.7521 -19.7521 -19.7254 -19.7254 -19.7189 -19.7189 -19.7129 -19.7129 -6.9486 -6.9486 -6.0929 -6.0929 -5.8884 -5.8884 -5.5214 -5.5214 -0.7879 -0.7879 -0.2113 -0.2113 1.0117 1.0117 1.2512 1.2512 1.6907 1.6907 1.8598 1.8598 2.3934 2.3934 2.7817 2.7817 2.9582 2.9582 3.2373 3.2373 3.7997 3.7997 4.2732 4.2732 6.5489 6.5489 7.1039 7.1039 7.7862 7.7862 8.0505 8.0505 8.2744 8.2744 k =-0.0370 0.0211 0.5758 ( 14462 PWs) bands (ev): -47.8738 -47.8738 -47.8711 -47.8711 -19.9205 -19.9205 -19.9012 -19.9012 -19.7521 -19.7521 -19.7254 -19.7254 -19.7189 -19.7189 -19.7129 -19.7129 -6.9461 -6.9461 -6.0926 -6.0926 -5.8893 -5.8893 -5.5251 -5.5251 -0.7923 -0.7923 -0.2119 -0.2119 1.0185 1.0185 1.2561 1.2561 1.7021 1.7021 1.8489 1.8489 2.3994 2.3994 2.7778 2.7778 2.9663 2.9663 3.2355 3.2355 3.8016 3.8016 4.2596 4.2596 6.5647 6.5647 7.0912 7.0912 7.7821 7.7821 7.9900 7.9900 8.3533 8.3533 k =-0.0556 0.0317 0.5758 ( 14460 PWs) bands (ev): -47.8738 -47.8738 -47.8711 -47.8711 -19.9205 -19.9205 -19.9012 -19.9012 -19.7521 -19.7521 -19.7254 -19.7254 -19.7189 -19.7189 -19.7129 -19.7129 -6.9420 -6.9420 -6.0921 -6.0921 -5.8907 -5.8907 -5.5312 -5.5312 -0.7996 -0.7996 -0.2129 -0.2129 1.0294 1.0294 1.2645 1.2645 1.7187 1.7187 1.8344 1.8344 2.4083 2.4083 2.7719 2.7719 2.9789 2.9789 3.2325 3.2325 3.8050 3.8050 4.2371 4.2371 6.5909 6.5909 7.0703 7.0703 7.7726 7.7726 7.9343 7.9343 8.4418 8.4418 k =-0.0741 0.0423 0.5758 ( 14462 PWs) bands (ev): -47.8738 -47.8738 -47.8711 -47.8711 -19.9205 -19.9205 -19.9012 -19.9012 -19.7521 -19.7521 -19.7254 -19.7254 -19.7189 -19.7189 -19.7129 -19.7129 -6.9362 -6.9362 -6.0914 -6.0914 -5.8927 -5.8927 -5.5396 -5.5396 -0.8095 -0.8095 -0.2141 -0.2141 1.0439 1.0439 1.2767 1.2767 1.7328 1.7328 1.8249 1.8249 2.4188 2.4188 2.7646 2.7646 2.9951 2.9951 3.2284 3.2284 3.8101 3.8101 4.2060 4.2060 6.6272 6.6272 7.0413 7.0413 7.7539 7.7539 7.8933 7.8933 8.5331 8.5331 k =-0.0926 0.0529 0.5758 ( 14474 PWs) bands (ev): -47.8738 -47.8738 -47.8711 -47.8711 -19.9205 -19.9205 -19.9012 -19.9012 -19.7521 -19.7521 -19.7254 -19.7254 -19.7189 -19.7189 -19.7129 -19.7129 -6.9288 -6.9288 -6.0906 -6.0906 -5.8952 -5.8952 -5.5504 -5.5504 -0.8218 -0.8218 -0.2153 -0.2153 1.0610 1.0610 1.2935 1.2935 1.7285 1.7285 1.8374 1.8374 2.4295 2.4295 2.7565 2.7565 3.0138 3.0138 3.2234 3.2234 3.8172 3.8172 4.1665 4.1665 6.6732 6.6732 7.0046 7.0046 7.7250 7.7250 7.8698 7.8698 8.6241 8.6241 k =-0.1111 0.0634 0.5758 ( 14482 PWs) bands (ev): -47.8738 -47.8738 -47.8711 -47.8711 -19.9205 -19.9205 -19.9012 -19.9012 -19.7521 -19.7521 -19.7254 -19.7254 -19.7190 -19.7190 -19.7129 -19.7129 -6.9198 -6.9198 -6.0895 -6.0895 -5.8981 -5.8981 -5.5633 -5.5633 -0.8361 -0.8361 -0.2163 -0.2163 1.0799 1.0799 1.3152 1.3152 1.7050 1.7050 1.8736 1.8736 2.4394 2.4394 2.7479 2.7479 3.0338 3.0338 3.2179 3.2179 3.8267 3.8267 4.1192 4.1192 6.7284 6.7284 6.9607 6.9607 7.6917 7.6917 7.8591 7.8591 8.7123 8.7123 k =-0.1296 0.0740 0.5758 ( 14482 PWs) bands (ev): -47.8738 -47.8738 -47.8711 -47.8711 -19.9205 -19.9205 -19.9012 -19.9012 -19.7521 -19.7521 -19.7254 -19.7254 -19.7189 -19.7189 -19.7129 -19.7129 -6.9092 -6.9092 -6.0884 -6.0884 -5.9016 -5.9016 -5.5785 -5.5785 -0.8521 -0.8521 -0.2169 -0.2169 1.0996 1.0996 1.3423 1.3423 1.6732 1.6732 1.9234 1.9234 2.4478 2.4478 2.7394 2.7394 3.0535 3.0535 3.2126 3.2126 3.8390 3.8390 4.0646 4.0646 6.7924 6.7924 6.9103 6.9103 7.6603 7.6603 7.8548 7.8548 8.7952 8.7952 k =-0.1481 0.0846 0.5758 ( 14486 PWs) bands (ev): -47.8738 -47.8738 -47.8711 -47.8711 -19.9205 -19.9205 -19.9012 -19.9012 -19.7521 -19.7521 -19.7254 -19.7254 -19.7190 -19.7190 -19.7129 -19.7129 -6.8971 -6.8971 -6.0871 -6.0871 -5.9054 -5.9054 -5.5956 -5.5956 -0.8695 -0.8695 -0.2170 -0.2170 1.1193 1.1193 1.3752 1.3752 1.6385 1.6385 1.9818 1.9818 2.4541 2.4541 2.7309 2.7309 3.0710 3.0710 3.2084 3.2084 3.8544 3.8544 4.0033 4.0033 6.8499 6.8499 6.8684 6.8684 7.6345 7.6345 7.8532 7.8532 8.8687 8.8687 k =-0.1667 0.0952 0.5758 ( 14478 PWs) bands (ev): -47.8738 -47.8738 -47.8711 -47.8711 -19.9205 -19.9205 -19.9012 -19.9012 -19.7521 -19.7521 -19.7254 -19.7254 -19.7190 -19.7190 -19.7129 -19.7129 -6.8836 -6.8836 -6.0856 -6.0856 -5.9097 -5.9097 -5.6146 -5.6146 -0.8878 -0.8878 -0.2163 -0.2163 1.1385 1.1385 1.4135 1.4135 1.6033 1.6033 2.0468 2.0468 2.4582 2.4582 2.7229 2.7229 3.0837 3.0837 3.2074 3.2074 3.8730 3.8730 3.9362 3.9362 6.7908 6.7908 6.9454 6.9454 7.6158 7.6158 7.8524 7.8524 8.9261 8.9261 k =-0.1852 0.1057 0.5758 ( 14490 PWs) bands (ev): -47.8738 -47.8738 -47.8711 -47.8711 -19.9205 -19.9205 -19.9012 -19.9012 -19.7521 -19.7521 -19.7254 -19.7254 -19.7190 -19.7190 -19.7129 -19.7129 -6.8686 -6.8686 -6.0841 -6.0841 -5.9143 -5.9143 -5.6353 -5.6353 -0.9068 -0.9068 -0.2148 -0.2148 1.1567 1.1567 1.4565 1.4565 1.5699 1.5699 2.1170 2.1170 2.4600 2.4600 2.7153 2.7153 3.0889 3.0889 3.2116 3.2116 3.8630 3.8630 3.8961 3.8961 6.7244 6.7244 7.0321 7.0321 7.6046 7.6046 7.8511 7.8511 8.9659 8.9659 k =-0.2037 0.1163 0.5758 ( 14496 PWs) bands (ev): -47.8738 -47.8738 -47.8711 -47.8711 -19.9205 -19.9205 -19.9012 -19.9012 -19.7521 -19.7521 -19.7254 -19.7254 -19.7190 -19.7190 -19.7129 -19.7129 -6.8523 -6.8523 -6.0825 -6.0825 -5.9193 -5.9193 -5.6576 -5.6576 -0.9261 -0.9261 -0.2123 -0.2123 1.1734 1.1734 1.4989 1.4989 1.5442 1.5442 2.1913 2.1913 2.4596 2.4596 2.7083 2.7083 3.0855 3.0855 3.2216 3.2216 3.7870 3.7870 3.9211 3.9211 6.6544 6.6544 7.1250 7.1250 7.6009 7.6009 7.8482 7.8482 8.9937 8.9937 k =-0.2222 0.1269 0.5758 ( 14500 PWs) bands (ev): -47.8738 -47.8738 -47.8711 -47.8711 -19.9205 -19.9205 -19.9012 -19.9012 -19.7521 -19.7521 -19.7254 -19.7254 -19.7190 -19.7190 -19.7129 -19.7129 -6.8347 -6.8347 -6.0808 -6.0808 -5.9246 -5.9246 -5.6811 -5.6811 -0.9455 -0.9455 -0.2090 -0.2090 1.1880 1.1880 1.5001 1.5001 1.5677 1.5677 2.2685 2.2685 2.4573 2.4573 2.7019 2.7019 3.0746 3.0746 3.2358 3.2358 3.7074 3.7074 3.9497 3.9497 6.5816 6.5816 7.2233 7.2233 7.6040 7.6040 7.8432 7.8432 8.9974 8.9974 k =-0.2407 0.1375 0.5758 ( 14514 PWs) bands (ev): -47.8738 -47.8738 -47.8711 -47.8711 -19.9205 -19.9205 -19.9013 -19.9013 -19.7521 -19.7521 -19.7254 -19.7254 -19.7190 -19.7190 -19.7130 -19.7130 -6.8160 -6.8160 -6.0791 -6.0791 -5.9303 -5.9303 -5.7057 -5.7057 -0.9647 -0.9647 -0.2048 -0.2048 1.1994 1.1994 1.4805 1.4805 1.6212 1.6212 2.3469 2.3469 2.4540 2.4540 2.6962 2.6962 3.0578 3.0578 3.2525 3.2525 3.6257 3.6257 3.9811 3.9811 6.5072 6.5072 7.3258 7.3258 7.6127 7.6127 7.8358 7.8358 8.9740 8.9740 k =-0.2593 0.1480 0.5758 ( 14494 PWs) bands (ev): -47.8738 -47.8738 -47.8711 -47.8711 -19.9205 -19.9205 -19.9012 -19.9012 -19.7521 -19.7521 -19.7254 -19.7254 -19.7190 -19.7190 -19.7129 -19.7129 -6.7963 -6.7963 -6.0774 -6.0774 -5.9363 -5.9363 -5.7311 -5.7311 -0.9834 -0.9834 -0.1999 -0.1999 1.2060 1.2060 1.4668 1.4668 1.6795 1.6795 2.4183 2.4183 2.4571 2.4571 2.6912 2.6912 3.0365 3.0365 3.2703 3.2703 3.5430 3.5430 4.0147 4.0147 6.4322 6.4322 7.4312 7.4312 7.6250 7.6250 7.8266 7.8266 8.9398 8.9398 k =-0.2778 0.1586 0.5758 ( 14484 PWs) bands (ev): -47.8738 -47.8738 -47.8711 -47.8711 -19.9205 -19.9205 -19.9012 -19.9012 -19.7521 -19.7521 -19.7254 -19.7254 -19.7190 -19.7190 -19.7129 -19.7129 -6.7756 -6.7756 -6.0757 -6.0757 -5.9427 -5.9427 -5.7568 -5.7568 -1.0015 -1.0015 -0.1942 -0.1942 1.2064 1.2064 1.4626 1.4626 1.7400 1.7400 2.4328 2.4328 2.5157 2.5157 2.6868 2.6868 3.0110 3.0110 3.2886 3.2886 3.4605 3.4605 4.0498 4.0498 6.3575 6.3575 7.5368 7.5368 7.6375 7.6375 7.8189 7.8189 8.9043 8.9043 k =-0.2963 0.1692 0.5758 ( 14468 PWs) bands (ev): -47.8738 -47.8738 -47.8711 -47.8711 -19.9205 -19.9205 -19.9012 -19.9012 -19.7521 -19.7521 -19.7254 -19.7254 -19.7190 -19.7190 -19.7129 -19.7129 -6.7542 -6.7542 -6.0740 -6.0740 -5.9497 -5.9497 -5.7824 -5.7824 -1.0187 -1.0187 -0.1881 -0.1881 1.2003 1.2003 1.4690 1.4690 1.8014 1.8014 2.4267 2.4267 2.5921 2.5921 2.6834 2.6834 2.9819 2.9819 3.3071 3.3071 3.3798 3.3798 4.0858 4.0858 6.2842 6.2842 7.6214 7.6214 7.6613 7.6613 7.8197 7.8197 8.8719 8.8719 k =-0.3148 0.1797 0.5758 ( 14464 PWs) bands (ev): -47.8738 -47.8738 -47.8711 -47.8711 -19.9205 -19.9205 -19.9012 -19.9012 -19.7521 -19.7521 -19.7254 -19.7254 -19.7190 -19.7190 -19.7129 -19.7129 -6.7323 -6.7323 -6.0724 -6.0724 -5.9575 -5.9575 -5.8074 -5.8074 -1.0349 -1.0349 -0.1816 -0.1816 1.1889 1.1889 1.4855 1.4855 1.8625 1.8625 2.4190 2.4190 2.6621 2.6621 2.6852 2.6852 2.9493 2.9493 3.2966 3.2966 3.3313 3.3313 4.1219 4.1219 6.2133 6.2133 7.6178 7.6178 7.7505 7.7505 7.8394 7.8394 8.8458 8.8458 k =-0.3333 0.1903 0.5758 ( 14460 PWs) bands (ev): -47.8738 -47.8738 -47.8711 -47.8711 -19.9205 -19.9205 -19.9012 -19.9012 -19.7521 -19.7521 -19.7254 -19.7254 -19.7190 -19.7190 -19.7129 -19.7129 -6.7101 -6.7101 -6.0709 -6.0709 -5.9664 -5.9664 -5.8311 -5.8311 -1.0500 -1.0500 -0.1750 -0.1750 1.1742 1.1742 1.5102 1.5102 1.9216 1.9216 2.4116 2.4116 2.6738 2.6738 2.7410 2.7410 2.9140 2.9140 3.2231 3.2231 3.3503 3.3503 4.1573 4.1573 6.1457 6.1457 7.5869 7.5869 7.8281 7.8281 7.8912 7.8912 8.8286 8.8286 k =-0.3519 0.2009 0.5758 ( 14452 PWs) bands (ev): -47.8738 -47.8738 -47.8711 -47.8711 -19.9205 -19.9205 -19.9012 -19.9012 -19.7521 -19.7521 -19.7254 -19.7254 -19.7190 -19.7190 -19.7129 -19.7129 -6.6879 -6.6879 -6.0694 -6.0694 -5.9766 -5.9766 -5.8527 -5.8527 -1.0637 -1.0637 -0.1684 -0.1684 1.1580 1.1580 1.5415 1.5415 1.9763 1.9763 2.4062 2.4062 2.6718 2.6718 2.8014 2.8014 2.8795 2.8795 3.1519 3.1519 3.3727 3.3727 4.1913 4.1913 6.0823 6.0823 7.5427 7.5427 7.8817 7.8817 7.9705 7.9705 8.8234 8.8234 k =-0.3704 0.2115 0.5758 ( 14456 PWs) bands (ev): -47.8738 -47.8738 -47.8711 -47.8711 -19.9205 -19.9205 -19.9012 -19.9012 -19.7521 -19.7521 -19.7254 -19.7254 -19.7190 -19.7190 -19.7129 -19.7129 -6.6661 -6.6661 -6.0681 -6.0681 -5.9884 -5.9884 -5.8715 -5.8715 -1.0761 -1.0761 -0.1620 -0.1620 1.1418 1.1418 1.5781 1.5781 2.0234 2.0234 2.4055 2.4055 2.6694 2.6694 2.8184 2.8184 2.8803 2.8803 3.0847 3.0847 3.3968 3.3968 4.2232 4.2232 6.0241 6.0241 7.4912 7.4912 7.9323 7.9323 8.0478 8.0478 8.8300 8.8300 k =-0.3889 0.2220 0.5758 ( 14464 PWs) bands (ev): -47.8738 -47.8738 -47.8711 -47.8711 -19.9205 -19.9205 -19.9012 -19.9012 -19.7521 -19.7521 -19.7254 -19.7254 -19.7190 -19.7190 -19.7129 -19.7129 -6.6451 -6.6451 -6.0669 -6.0669 -6.0018 -6.0018 -5.8870 -5.8870 -1.0870 -1.0870 -0.1561 -0.1561 1.1266 1.1266 1.6190 1.6190 2.0583 2.0583 2.4128 2.4128 2.6671 2.6671 2.7851 2.7851 2.9234 2.9234 3.0214 3.0214 3.4223 3.4223 4.2524 4.2524 5.9718 5.9718 7.4371 7.4371 7.9849 7.9849 8.1116 8.1116 8.8008 8.8008 k =-0.4074 0.2326 0.5758 ( 14450 PWs) bands (ev): -47.8738 -47.8738 -47.8711 -47.8711 -19.9205 -19.9205 -19.9012 -19.9012 -19.7521 -19.7521 -19.7254 -19.7254 -19.7189 -19.7189 -19.7129 -19.7129 -6.6255 -6.6255 -6.0659 -6.0659 -6.0162 -6.0162 -5.8990 -5.8990 -1.0963 -1.0963 -0.1508 -0.1508 1.1129 1.1129 1.6631 1.6631 2.0765 2.0765 2.4319 2.4319 2.6647 2.6647 2.7488 2.7488 2.9566 2.9566 2.9681 2.9681 3.4483 3.4483 4.2782 4.2782 5.9262 5.9262 7.3843 7.3843 8.0387 8.0387 8.1589 8.1589 8.7657 8.7657 k =-0.4259 0.2432 0.5758 ( 14464 PWs) bands (ev): -47.8738 -47.8738 -47.8711 -47.8711 -19.9205 -19.9205 -19.9012 -19.9012 -19.7521 -19.7521 -19.7254 -19.7254 -19.7190 -19.7190 -19.7129 -19.7129 -6.6080 -6.6080 -6.0650 -6.0650 -6.0306 -6.0306 -5.9080 -5.9080 -1.1041 -1.1041 -0.1462 -0.1462 1.1013 1.1013 1.7095 1.7095 2.0763 2.0763 2.4637 2.4637 2.6617 2.6617 2.7170 2.7170 2.9023 2.9023 2.9966 2.9966 3.4733 3.4733 4.3001 4.3001 5.8879 5.8879 7.3362 7.3362 8.0920 8.0920 8.1907 8.1907 8.7321 8.7321 k =-0.4444 0.2538 0.5758 ( 14490 PWs) bands (ev): -47.8738 -47.8738 -47.8711 -47.8711 -19.9205 -19.9205 -19.9012 -19.9012 -19.7521 -19.7521 -19.7254 -19.7254 -19.7190 -19.7190 -19.7129 -19.7129 -6.5932 -6.5932 -6.0643 -6.0643 -6.0436 -6.0436 -5.9144 -5.9144 -1.1101 -1.1101 -0.1425 -0.1425 1.0920 1.0920 1.7568 1.7568 2.0604 2.0604 2.5059 2.5059 2.6570 2.6570 2.6930 2.6930 2.8459 2.8459 3.0207 3.0207 3.4955 3.4955 4.3176 4.3176 5.8575 5.8575 7.2955 7.2955 8.1416 8.1416 8.2105 8.2105 8.7001 8.7001 k =-0.4630 0.2643 0.5758 ( 14472 PWs) bands (ev): -47.8738 -47.8738 -47.8711 -47.8711 -19.9205 -19.9205 -19.9012 -19.9012 -19.7521 -19.7521 -19.7254 -19.7254 -19.7190 -19.7190 -19.7129 -19.7129 -6.5818 -6.5818 -6.0638 -6.0638 -6.0540 -6.0540 -5.9186 -5.9186 -1.1145 -1.1145 -0.1398 -0.1398 1.0852 1.0852 1.8026 1.8026 2.0342 2.0342 2.5544 2.5544 2.6496 2.6496 2.6790 2.6790 2.7909 2.7909 3.0374 3.0374 3.5131 3.5131 4.3304 4.3304 5.8355 5.8355 7.2647 7.2647 8.1831 8.1831 8.2226 8.2226 8.6717 8.6717 k =-0.4815 0.2749 0.5758 ( 14480 PWs) bands (ev): -47.8738 -47.8738 -47.8711 -47.8711 -19.9205 -19.9205 -19.9012 -19.9012 -19.7521 -19.7521 -19.7254 -19.7254 -19.7190 -19.7190 -19.7130 -19.7130 -6.5747 -6.5747 -6.0635 -6.0635 -6.0606 -6.0606 -5.9210 -5.9210 -1.1171 -1.1171 -0.1381 -0.1381 1.0811 1.0811 1.8414 1.8414 2.0061 2.0061 2.6045 2.6045 2.6424 2.6424 2.6715 2.6715 2.7401 2.7401 3.0471 3.0471 3.5243 3.5243 4.3382 4.3382 5.8221 5.8221 7.2455 7.2455 8.2096 8.2096 8.2312 8.2312 8.6509 8.6509 k =-0.5000 0.2855 0.5758 ( 14496 PWs) bands (ev): -47.8738 -47.8738 -47.8711 -47.8711 -19.9205 -19.9205 -19.9012 -19.9012 -19.7521 -19.7521 -19.7255 -19.7255 -19.7190 -19.7190 -19.7130 -19.7130 -6.5723 -6.5723 -6.0636 -6.0636 -6.0628 -6.0628 -5.9218 -5.9218 -1.1180 -1.1180 -0.1375 -0.1375 1.0798 1.0798 1.8589 1.8589 1.9919 1.9919 2.6395 2.6395 2.6395 2.6395 2.6619 2.6619 2.7126 2.7126 3.0503 3.0503 3.5282 3.5282 4.3408 4.3408 5.8176 5.8176 7.2390 7.2390 8.2170 8.2170 8.2362 8.2362 8.6431 8.6431 k =-0.5000 0.2855 0.5758 ( 14496 PWs) bands (ev): -47.8738 -47.8738 -47.8711 -47.8711 -19.9205 -19.9205 -19.9012 -19.9012 -19.7521 -19.7521 -19.7255 -19.7255 -19.7190 -19.7190 -19.7130 -19.7130 -6.5723 -6.5723 -6.0636 -6.0636 -6.0628 -6.0628 -5.9218 -5.9218 -1.1180 -1.1180 -0.1375 -0.1375 1.0798 1.0798 1.8589 1.8589 1.9919 1.9919 2.6395 2.6395 2.6395 2.6395 2.6619 2.6619 2.7126 2.7126 3.0503 3.0503 3.5282 3.5282 4.3408 4.3408 5.8176 5.8176 7.2390 7.2390 8.2170 8.2170 8.2362 8.2362 8.6431 8.6431 k =-0.4868 0.2780 0.5606 ( 14468 PWs) bands (ev): -47.8738 -47.8738 -47.8711 -47.8711 -19.9205 -19.9205 -19.9012 -19.9012 -19.7521 -19.7521 -19.7254 -19.7254 -19.7190 -19.7190 -19.7129 -19.7129 -6.5747 -6.5747 -6.0633 -6.0633 -6.0609 -6.0609 -5.9210 -5.9210 -1.1171 -1.1171 -0.1381 -0.1381 1.0811 1.0811 1.8412 1.8412 2.0063 2.0063 2.6055 2.6055 2.6411 2.6411 2.6709 2.6709 2.7410 2.7410 3.0471 3.0471 3.5243 3.5243 4.3382 4.3382 5.8222 5.8222 7.2456 7.2456 8.2105 8.2105 8.2301 8.2301 8.6511 8.6511 k =-0.4737 0.2705 0.5455 ( 14476 PWs) bands (ev): -47.8738 -47.8738 -47.8711 -47.8711 -19.9205 -19.9205 -19.9012 -19.9012 -19.7521 -19.7521 -19.7254 -19.7254 -19.7190 -19.7190 -19.7129 -19.7129 -6.5820 -6.5820 -6.0632 -6.0632 -6.0543 -6.0543 -5.9187 -5.9187 -1.1144 -1.1144 -0.1398 -0.1398 1.0853 1.0853 1.8012 1.8012 2.0357 2.0357 2.5595 2.5595 2.6405 2.6405 2.6789 2.6789 2.7951 2.7951 3.0375 3.0375 3.5126 3.5126 4.3303 4.3303 5.8357 5.8357 7.2653 7.2653 8.1919 8.1919 8.2127 8.2127 8.6738 8.6738 k =-0.4605 0.2629 0.5303 ( 14478 PWs) bands (ev): -47.8738 -47.8738 -47.8711 -47.8711 -19.9205 -19.9205 -19.9012 -19.9012 -19.7521 -19.7521 -19.7254 -19.7254 -19.7190 -19.7190 -19.7129 -19.7129 -6.5936 -6.5936 -6.0632 -6.0632 -6.0437 -6.0437 -5.9149 -5.9149 -1.1100 -1.1100 -0.1426 -0.1426 1.0922 1.0922 1.7527 1.7527 2.0651 2.0651 2.5185 2.5185 2.6299 2.6299 2.6980 2.6980 2.8549 2.8549 3.0217 3.0217 3.4936 3.4936 4.3172 4.3172 5.8579 5.8579 7.2976 7.2976 8.1633 8.1633 8.1859 8.1859 8.7081 8.7081 k =-0.4474 0.2554 0.5152 ( 14488 PWs) bands (ev): -47.8738 -47.8738 -47.8711 -47.8711 -19.9205 -19.9205 -19.9012 -19.9012 -19.7522 -19.7522 -19.7254 -19.7254 -19.7190 -19.7190 -19.7130 -19.7130 -6.6091 -6.6091 -6.0630 -6.0630 -6.0298 -6.0298 -5.9096 -5.9096 -1.1039 -1.1039 -0.1464 -0.1464 1.1018 1.1018 1.7008 1.7008 2.0867 2.0867 2.4880 2.4880 2.6107 2.6107 2.7276 2.7276 2.9168 2.9168 2.9999 2.9999 3.4678 3.4678 4.2990 4.2990 5.8887 5.8887 7.3419 7.3419 8.1272 8.1272 8.1521 8.1521 8.7493 8.7493 k =-0.4342 0.2479 0.5000 ( 14474 PWs) bands (ev): -47.8738 -47.8738 -47.8711 -47.8711 -19.9205 -19.9205 -19.9012 -19.9012 -19.7521 -19.7521 -19.7254 -19.7254 -19.7190 -19.7190 -19.7129 -19.7129 -6.6277 -6.6277 -6.0627 -6.0627 -6.0130 -6.0130 -5.9029 -5.9029 -1.0960 -1.0960 -0.1512 -0.1512 1.1139 1.1139 1.6477 1.6477 2.0949 2.0949 2.4728 2.4728 2.5850 2.5850 2.7649 2.7649 2.9694 2.9694 2.9827 2.9827 3.4360 3.4360 4.2760 4.2760 5.9277 5.9277 7.3971 7.3971 8.0856 8.0856 8.1136 8.1136 8.7848 8.7848 k =-0.4211 0.2404 0.4849 ( 14476 PWs) bands (ev): -47.8738 -47.8738 -47.8711 -47.8711 -19.9205 -19.9205 -19.9012 -19.9012 -19.7521 -19.7521 -19.7254 -19.7254 -19.7190 -19.7190 -19.7129 -19.7129 -6.6489 -6.6489 -6.0622 -6.0622 -5.9940 -5.9940 -5.8950 -5.8950 -1.0863 -1.0863 -0.1568 -0.1568 1.1279 1.1279 1.5952 1.5952 2.0869 2.0869 2.4758 2.4758 2.5540 2.5540 2.8076 2.8076 2.9395 2.9395 3.0440 3.0440 3.3991 3.3991 4.2484 4.2484 5.9743 5.9743 7.4620 7.4620 8.0397 8.0397 8.0729 8.0729 8.7697 8.7697 k =-0.4079 0.2329 0.4697 ( 14476 PWs) bands (ev): -47.8738 -47.8738 -47.8711 -47.8711 -19.9205 -19.9205 -19.9012 -19.9012 -19.7521 -19.7521 -19.7254 -19.7254 -19.7190 -19.7190 -19.7129 -19.7129 -6.6722 -6.6722 -6.0615 -6.0615 -5.9734 -5.9734 -5.8859 -5.8859 -1.0750 -1.0750 -0.1632 -0.1632 1.1431 1.1431 1.5447 1.5447 2.0639 2.0639 2.4951 2.4951 2.5188 2.5188 2.8488 2.8488 2.9088 2.9088 3.1073 3.1073 3.3583 3.3583 4.2164 4.2164 6.0280 6.0280 7.5344 7.5344 7.9898 7.9898 8.0332 8.0332 8.7127 8.7127 k =-0.3947 0.2254 0.4545 ( 14462 PWs) bands (ev): -47.8738 -47.8738 -47.8711 -47.8711 -19.9205 -19.9205 -19.9012 -19.9012 -19.7521 -19.7521 -19.7254 -19.7254 -19.7190 -19.7190 -19.7129 -19.7129 -6.6969 -6.6969 -6.0605 -6.0605 -5.9515 -5.9515 -5.8758 -5.8758 -1.0621 -1.0621 -0.1702 -0.1702 1.1575 1.1575 1.4986 1.4986 2.0301 2.0301 2.4775 2.4775 2.5287 2.5287 2.8436 2.8436 2.9242 2.9242 3.1691 3.1691 3.3154 3.3154 4.1804 4.1804 6.0885 6.0885 7.6106 7.6106 7.9366 7.9366 7.9989 7.9989 8.6503 8.6503 k =-0.3816 0.2179 0.4394 ( 14464 PWs) bands (ev): -47.8738 -47.8738 -47.8711 -47.8711 -19.9205 -19.9205 -19.9012 -19.9012 -19.7521 -19.7521 -19.7254 -19.7254 -19.7190 -19.7190 -19.7129 -19.7129 -6.7228 -6.7228 -6.0592 -6.0592 -5.9289 -5.9289 -5.8646 -5.8646 -1.0475 -1.0475 -0.1776 -0.1776 1.1679 1.1679 1.4604 1.4604 1.9899 1.9899 2.4342 2.4342 2.5676 2.5676 2.8025 2.8025 2.9757 2.9757 3.2203 3.2203 3.2800 3.2800 4.1409 4.1409 6.1551 6.1551 7.6813 7.6813 7.8836 7.8836 7.9769 7.9769 8.5899 8.5899 k =-0.3684 0.2104 0.4242 ( 14470 PWs) bands (ev): -47.8738 -47.8738 -47.8711 -47.8711 -19.9205 -19.9205 -19.9012 -19.9012 -19.7521 -19.7521 -19.7254 -19.7254 -19.7190 -19.7190 -19.7129 -19.7129 -6.7495 -6.7495 -6.0575 -6.0575 -5.9059 -5.9059 -5.8526 -5.8526 -1.0313 -1.0313 -0.1852 -0.1852 1.1691 1.1691 1.4357 1.4357 1.9461 1.9461 2.3877 2.3877 2.6065 2.6065 2.7598 2.7598 3.0329 3.0329 3.2055 3.2055 3.3086 3.3086 4.0984 4.0984 6.2273 6.2273 7.7203 7.7203 7.8419 7.8419 7.9831 7.9831 8.5328 8.5328 k =-0.3553 0.2028 0.4091 ( 14470 PWs) bands (ev): -47.8738 -47.8738 -47.8711 -47.8711 -19.9205 -19.9205 -19.9012 -19.9012 -19.7521 -19.7521 -19.7254 -19.7254 -19.7190 -19.7190 -19.7129 -19.7129 -6.7767 -6.7767 -6.0554 -6.0554 -5.8826 -5.8826 -5.8398 -5.8398 -1.0135 -1.0135 -0.1929 -0.1929 1.1561 1.1561 1.4292 1.4292 1.9006 1.9006 2.3386 2.3386 2.6247 2.6247 2.7372 2.7372 3.0901 3.0901 3.1620 3.1620 3.3660 3.3660 4.0534 4.0534 6.3045 6.3045 7.6990 7.6990 7.8221 7.8221 8.0367 8.0367 8.4785 8.4785 k =-0.3421 0.1953 0.3939 ( 14466 PWs) bands (ev): -47.8738 -47.8738 -47.8711 -47.8711 -19.9205 -19.9205 -19.9012 -19.9012 -19.7521 -19.7521 -19.7254 -19.7254 -19.7190 -19.7190 -19.7129 -19.7129 -6.8041 -6.8041 -6.0530 -6.0530 -5.8593 -5.8593 -5.8262 -5.8262 -0.9943 -0.9943 -0.2005 -0.2005 1.1286 1.1286 1.4410 1.4410 1.8547 1.8547 2.2873 2.2873 2.5959 2.5959 2.7602 2.7602 3.1021 3.1021 3.1629 3.1629 3.4244 3.4244 4.0069 4.0069 6.3864 6.3864 7.6455 7.6455 7.8073 7.8073 8.1273 8.1273 8.4260 8.4260 k =-0.3289 0.1878 0.3788 ( 14462 PWs) bands (ev): -47.8738 -47.8738 -47.8711 -47.8711 -19.9205 -19.9205 -19.9012 -19.9012 -19.7521 -19.7521 -19.7254 -19.7254 -19.7190 -19.7190 -19.7129 -19.7129 -6.8316 -6.8316 -6.0503 -6.0503 -5.8362 -5.8362 -5.8120 -5.8120 -0.9736 -0.9736 -0.2077 -0.2077 1.0909 1.0909 1.4666 1.4666 1.8091 1.8091 2.2343 2.2343 2.5431 2.5431 2.8039 2.8039 3.0592 3.0592 3.2215 3.2215 3.4807 3.4807 3.9599 3.9599 6.4724 6.4724 7.5843 7.5843 7.7923 7.7923 8.2353 8.2353 8.3748 8.3748 k =-0.3158 0.1803 0.3636 ( 14474 PWs) bands (ev): -47.8738 -47.8738 -47.8711 -47.8711 -19.9205 -19.9205 -19.9012 -19.9012 -19.7521 -19.7521 -19.7254 -19.7254 -19.7190 -19.7190 -19.7129 -19.7129 -6.8590 -6.8590 -6.0472 -6.0472 -5.8134 -5.8134 -5.7973 -5.7973 -0.9515 -0.9515 -0.2143 -0.2143 1.0475 1.0475 1.5005 1.5005 1.7646 1.7646 2.1801 2.1801 2.4834 2.4834 2.8462 2.8462 3.0214 3.0214 3.2836 3.2836 3.5328 3.5328 3.9146 3.9146 6.5621 6.5621 7.5225 7.5225 7.7794 7.7794 8.3100 8.3100 8.3647 8.3647 k =-0.3026 0.1728 0.3485 ( 14472 PWs) bands (ev): -47.8738 -47.8738 -47.8711 -47.8711 -19.9205 -19.9205 -19.9012 -19.9012 -19.7521 -19.7521 -19.7254 -19.7254 -19.7190 -19.7190 -19.7129 -19.7129 -6.8860 -6.8860 -6.0437 -6.0437 -5.7911 -5.7911 -5.7821 -5.7821 -0.9281 -0.9281 -0.2203 -0.2203 1.0013 1.0013 1.5386 1.5386 1.7221 1.7221 2.1250 2.1250 2.4214 2.4214 2.8673 2.8673 3.0076 3.0076 3.3461 3.3461 3.5773 3.5773 3.8744 3.8744 6.6549 6.6549 7.4626 7.4626 7.7703 7.7703 8.2601 8.2601 8.4137 8.4137 k =-0.2895 0.1653 0.3333 ( 14480 PWs) bands (ev): -47.8738 -47.8738 -47.8711 -47.8711 -19.9205 -19.9205 -19.9012 -19.9012 -19.7521 -19.7521 -19.7254 -19.7254 -19.7190 -19.7190 -19.7129 -19.7129 -6.9127 -6.9127 -6.0400 -6.0400 -5.7695 -5.7695 -5.7665 -5.7665 -0.9035 -0.9035 -0.2253 -0.2253 0.9540 0.9540 1.5752 1.5752 1.6846 1.6846 2.0694 2.0694 2.3589 2.3589 2.8522 2.8522 3.0325 3.0325 3.4078 3.4078 3.6076 3.6076 3.8467 3.8467 6.7504 6.7504 7.4060 7.4060 7.7655 7.7655 8.2009 8.2009 8.3203 8.3203 k =-0.2763 0.1578 0.3182 ( 14476 PWs) bands (ev): -47.8738 -47.8738 -47.8711 -47.8711 -19.9205 -19.9205 -19.9012 -19.9012 -19.7521 -19.7521 -19.7254 -19.7254 -19.7190 -19.7190 -19.7129 -19.7129 -6.9388 -6.9388 -6.0361 -6.0361 -5.7509 -5.7509 -5.7481 -5.7481 -0.8777 -0.8777 -0.2294 -0.2294 0.9066 0.9066 1.5940 1.5940 1.6660 1.6660 2.0139 2.0139 2.2973 2.2973 2.8192 2.8192 3.0781 3.0781 3.4670 3.4670 3.6156 3.6156 3.8414 3.8414 6.8482 6.8482 7.3537 7.3537 7.7654 7.7654 8.1366 8.1366 8.2248 8.2248 k =-0.2632 0.1503 0.3030 ( 14472 PWs) bands (ev): -47.8738 -47.8738 -47.8711 -47.8711 -19.9205 -19.9205 -19.9012 -19.9012 -19.7521 -19.7521 -19.7254 -19.7254 -19.7190 -19.7190 -19.7129 -19.7129 -6.9643 -6.9643 -6.0319 -6.0319 -5.7348 -5.7348 -5.7278 -5.7278 -0.8509 -0.8509 -0.2323 -0.2323 0.8597 0.8597 1.5746 1.5746 1.6839 1.6839 1.9591 1.9591 2.2379 2.2379 2.7841 2.7841 3.1296 3.1296 3.5159 3.5159 3.6071 3.6071 3.8602 3.8602 6.9475 6.9475 7.3065 7.3065 7.7701 7.7701 8.0670 8.0670 8.1324 8.1324 k =-0.2500 0.1427 0.2879 ( 14484 PWs) bands (ev): -47.8738 -47.8738 -47.8711 -47.8711 -19.9205 -19.9205 -19.9012 -19.9012 -19.7521 -19.7521 -19.7254 -19.7254 -19.7190 -19.7190 -19.7129 -19.7129 -6.9890 -6.9890 -6.0275 -6.0275 -5.7187 -5.7187 -5.7082 -5.7082 -0.8231 -0.8231 -0.2340 -0.2340 0.8136 0.8136 1.5408 1.5408 1.7104 1.7104 1.9061 1.9061 2.1821 2.1821 2.7534 2.7534 3.1818 3.1818 3.5223 3.5223 3.6241 3.6241 3.8933 3.8933 7.0475 7.0475 7.2650 7.2650 7.7796 7.7796 7.9919 7.9919 8.0442 8.0442 k =-0.2368 0.1352 0.2727 ( 14482 PWs) bands (ev): -47.8738 -47.8738 -47.8711 -47.8711 -19.9205 -19.9205 -19.9012 -19.9012 -19.7521 -19.7521 -19.7254 -19.7254 -19.7189 -19.7189 -19.7129 -19.7129 -7.0130 -7.0130 -6.0229 -6.0229 -5.7026 -5.7026 -5.6894 -5.6894 -0.7945 -0.7945 -0.2344 -0.2344 0.7686 0.7686 1.5054 1.5054 1.7270 1.7270 1.8574 1.8574 2.1315 2.1315 2.7308 2.7308 3.2328 3.2328 3.4879 3.4879 3.6734 3.6734 3.9324 3.9324 7.1449 7.1449 7.2316 7.2316 7.7932 7.7932 7.9131 7.9131 7.9606 7.9606 k =-0.2237 0.1277 0.2576 ( 14485 PWs) bands (ev): -47.8738 -47.8738 -47.8711 -47.8711 -19.9205 -19.9205 -19.9012 -19.9012 -19.7521 -19.7521 -19.7254 -19.7254 -19.7189 -19.7189 -19.7129 -19.7129 -7.0360 -7.0360 -6.0183 -6.0183 -5.6866 -5.6866 -5.6715 -5.6715 -0.7652 -0.7652 -0.2335 -0.2335 0.7250 0.7250 1.4707 1.4707 1.7229 1.7229 1.8180 1.8180 2.0876 2.0876 2.7195 2.7195 3.2812 3.2812 3.4434 3.4434 3.7289 3.7289 3.9731 3.9731 7.1857 7.1857 7.2588 7.2588 7.8046 7.8046 7.8390 7.8390 7.8820 7.8820 k =-0.2105 0.1202 0.2424 ( 14473 PWs) bands (ev): -47.8738 -47.8738 -47.8711 -47.8711 -19.9205 -19.9205 -19.9012 -19.9012 -19.7521 -19.7521 -19.7254 -19.7254 -19.7189 -19.7189 -19.7129 -19.7129 -7.0581 -7.0581 -6.0136 -6.0136 -5.6707 -5.6707 -5.6545 -5.6545 -0.7354 -0.7354 -0.2313 -0.2313 0.6829 0.6829 1.4373 1.4373 1.6940 1.6940 1.7893 1.7893 2.0508 2.0508 2.7219 2.7219 3.3239 3.3239 3.3995 3.3995 3.7845 3.7845 4.0133 4.0133 7.1622 7.1622 7.3503 7.3503 7.7477 7.7477 7.8018 7.8018 7.8464 7.8464 k =-0.1974 0.1127 0.2273 ( 14485 PWs) bands (ev): -47.8738 -47.8738 -47.8711 -47.8711 -19.9205 -19.9205 -19.9011 -19.9011 -19.7522 -19.7522 -19.7253 -19.7253 -19.7189 -19.7189 -19.7130 -19.7130 -7.0791 -7.0791 -6.0088 -6.0088 -5.6552 -5.6552 -5.6384 -5.6384 -0.7052 -0.7052 -0.2278 -0.2278 0.6425 0.6425 1.4055 1.4055 1.6508 1.6508 1.7613 1.7613 2.0193 2.0193 2.7394 2.7394 3.3306 3.3306 3.3887 3.3887 3.8386 3.8386 4.0522 4.0522 7.1369 7.1369 7.4344 7.4344 7.6732 7.6732 7.7422 7.7422 7.8724 7.8724 k =-0.1842 0.1052 0.2121 ( 14489 PWs) bands (ev): -47.8738 -47.8738 -47.8711 -47.8711 -19.9205 -19.9205 -19.9011 -19.9011 -19.7522 -19.7522 -19.7253 -19.7253 -19.7189 -19.7189 -19.7130 -19.7130 -7.0990 -7.0990 -6.0041 -6.0041 -5.6401 -5.6401 -5.6233 -5.6233 -0.6748 -0.6748 -0.2230 -0.2230 0.6039 0.6039 1.3755 1.3755 1.6030 1.6030 1.7282 1.7282 1.9899 1.9899 2.7718 2.7718 3.2902 3.2902 3.4229 3.4229 3.8905 3.8905 4.0891 4.0891 7.1095 7.1095 7.4849 7.4849 7.6057 7.6057 7.7159 7.7159 7.9067 7.9067 k =-0.1711 0.0977 0.1970 ( 14511 PWs) bands (ev): -47.8738 -47.8738 -47.8711 -47.8711 -19.9205 -19.9205 -19.9012 -19.9012 -19.7522 -19.7522 -19.7254 -19.7254 -19.7189 -19.7189 -19.7130 -19.7130 -7.1178 -7.1178 -5.9995 -5.9995 -5.6254 -5.6254 -5.6092 -5.6092 -0.6444 -0.6444 -0.2172 -0.2172 0.5672 0.5672 1.3474 1.3474 1.5544 1.5544 1.6908 1.6908 1.9599 1.9599 2.8171 2.8171 3.2455 3.2455 3.4601 3.4601 3.9396 3.9396 4.1238 4.1238 7.0754 7.0754 7.4741 7.4741 7.5514 7.5514 7.7508 7.7508 7.9476 7.9476 k =-0.1579 0.0902 0.1818 ( 14511 PWs) bands (ev): -47.8738 -47.8738 -47.8711 -47.8711 -19.9205 -19.9205 -19.9012 -19.9012 -19.7522 -19.7522 -19.7254 -19.7254 -19.7189 -19.7189 -19.7130 -19.7130 -7.1353 -7.1353 -5.9950 -5.9950 -5.6113 -5.6113 -5.5961 -5.5961 -0.6142 -0.6142 -0.2103 -0.2103 0.5325 0.5325 1.3212 1.3212 1.5065 1.5065 1.6513 1.6513 1.9283 1.9283 2.8729 2.8729 3.2019 3.2019 3.4954 3.4954 3.9857 3.9857 4.1561 4.1561 7.0292 7.0292 7.4285 7.4285 7.5142 7.5142 7.8209 7.8209 7.9969 7.9969 k =-0.1447 0.0826 0.1667 ( 14515 PWs) bands (ev): -47.8738 -47.8738 -47.8711 -47.8711 -19.9205 -19.9205 -19.9012 -19.9012 -19.7522 -19.7522 -19.7254 -19.7254 -19.7189 -19.7189 -19.7130 -19.7130 -7.1517 -7.1517 -5.9907 -5.9907 -5.5980 -5.5980 -5.5840 -5.5840 -0.5846 -0.5846 -0.2027 -0.2027 0.5000 0.5000 1.2971 1.2971 1.4602 1.4602 1.6115 1.6115 1.8952 1.8952 2.9363 2.9363 3.1604 3.1604 3.5282 3.5282 4.0285 4.0285 4.1860 4.1860 6.9679 6.9679 7.3760 7.3760 7.4976 7.4976 7.8948 7.8948 8.0573 8.0573 k =-0.1316 0.0751 0.1515 ( 14515 PWs) bands (ev): -47.8738 -47.8738 -47.8711 -47.8711 -19.9205 -19.9205 -19.9012 -19.9012 -19.7522 -19.7522 -19.7254 -19.7254 -19.7189 -19.7189 -19.7130 -19.7130 -7.1667 -7.1667 -5.9866 -5.9866 -5.5854 -5.5854 -5.5729 -5.5729 -0.5557 -0.5557 -0.1943 -0.1943 0.4698 0.4698 1.2749 1.2749 1.4159 1.4159 1.5728 1.5728 1.8615 1.8615 3.0044 3.0044 3.1217 3.1217 3.5583 3.5583 4.0678 4.0678 4.2133 4.2133 6.8930 6.8930 7.3244 7.3244 7.5026 7.5026 7.9610 7.9610 8.1306 8.1306 k =-0.1184 0.0676 0.1364 ( 14503 PWs) bands (ev): -47.8738 -47.8738 -47.8711 -47.8711 -19.9205 -19.9205 -19.9011 -19.9011 -19.7522 -19.7522 -19.7254 -19.7254 -19.7189 -19.7189 -19.7130 -19.7130 -7.1804 -7.1804 -5.9827 -5.9827 -5.5737 -5.5737 -5.5629 -5.5629 -0.5279 -0.5279 -0.1856 -0.1856 0.4420 0.4420 1.2548 1.2548 1.3741 1.3741 1.5360 1.5360 1.8282 1.8282 3.0725 3.0725 3.0882 3.0882 3.5858 3.5858 4.1037 4.1037 4.2381 4.2381 6.8090 6.8090 7.2759 7.2759 7.5265 7.5265 8.0178 8.0178 8.2140 8.2140 k =-0.1053 0.0601 0.1212 ( 14501 PWs) bands (ev): -47.8738 -47.8738 -47.8711 -47.8711 -19.9205 -19.9205 -19.9011 -19.9011 -19.7522 -19.7522 -19.7254 -19.7254 -19.7189 -19.7189 -19.7130 -19.7130 -7.1928 -7.1928 -5.9792 -5.9792 -5.5630 -5.5630 -5.5539 -5.5539 -0.5016 -0.5016 -0.1766 -0.1766 0.4167 0.4167 1.2368 1.2368 1.3353 1.3353 1.5018 1.5018 1.7961 1.7961 3.0523 3.0523 3.1462 3.1462 3.6109 3.6109 4.1360 4.1360 4.2604 4.2604 6.7205 6.7205 7.2314 7.2314 7.5658 7.5658 8.0677 8.0677 8.3020 8.3020 k =-0.0921 0.0526 0.1061 ( 14513 PWs) bands (ev): -47.8738 -47.8738 -47.8712 -47.8712 -19.9206 -19.9206 -19.9011 -19.9011 -19.7522 -19.7522 -19.7253 -19.7253 -19.7189 -19.7189 -19.7130 -19.7130 -7.2037 -7.2037 -5.9759 -5.9759 -5.5533 -5.5533 -5.5460 -5.5460 -0.4770 -0.4770 -0.1678 -0.1678 0.3940 0.3940 1.2209 1.2209 1.2999 1.2999 1.4705 1.4705 1.7661 1.7661 3.0232 3.0232 3.2142 3.2142 3.6337 3.6337 4.1648 4.1648 4.2803 4.2803 6.6319 6.6319 7.1915 7.1915 7.6176 7.6176 8.1126 8.1126 8.3900 8.3900 k =-0.0789 0.0451 0.0909 ( 14529 PWs) bands (ev): -47.8738 -47.8738 -47.8712 -47.8712 -19.9206 -19.9206 -19.9012 -19.9012 -19.7522 -19.7522 -19.7254 -19.7254 -19.7189 -19.7189 -19.7130 -19.7130 -7.2133 -7.2133 -5.9731 -5.9731 -5.5447 -5.5447 -5.5391 -5.5391 -0.4546 -0.4546 -0.1594 -0.1594 0.3741 0.3741 1.2069 1.2069 1.2684 1.2684 1.4425 1.4425 1.7389 1.7389 2.9976 2.9976 3.2779 3.2779 3.6543 3.6543 4.1901 4.1901 4.2978 4.2978 6.5466 6.5466 7.1565 7.1565 7.6797 7.6797 8.1532 8.1532 8.4730 8.4730 k =-0.0658 0.0376 0.0758 ( 14523 PWs) bands (ev): -47.8738 -47.8738 -47.8712 -47.8712 -19.9206 -19.9206 -19.9012 -19.9012 -19.7522 -19.7522 -19.7254 -19.7254 -19.7189 -19.7189 -19.7130 -19.7130 -7.2214 -7.2214 -5.9706 -5.9706 -5.5374 -5.5374 -5.5333 -5.5333 -0.4347 -0.4347 -0.1516 -0.1516 0.3570 0.3570 1.1948 1.1948 1.2411 1.2411 1.4181 1.4181 1.7150 1.7150 2.9756 2.9756 3.3351 3.3351 3.6728 3.6728 4.2119 4.2119 4.3130 4.3130 6.4678 6.4678 7.1267 7.1267 7.7502 7.7502 8.1892 8.1892 8.5428 8.5428 k =-0.0526 0.0301 0.0606 ( 14523 PWs) bands (ev): -47.8738 -47.8738 -47.8712 -47.8712 -19.9206 -19.9206 -19.9012 -19.9012 -19.7522 -19.7522 -19.7254 -19.7254 -19.7189 -19.7189 -19.7130 -19.7130 -7.2281 -7.2281 -5.9685 -5.9685 -5.5313 -5.5313 -5.5285 -5.5285 -0.4178 -0.4178 -0.1448 -0.1448 0.3429 0.3429 1.1844 1.1844 1.2188 1.2188 1.3978 1.3978 1.6948 1.6948 2.9574 2.9574 3.3840 3.3840 3.6891 3.6891 4.2301 4.2301 4.3259 4.3259 6.3983 6.3983 7.1021 7.1021 7.8274 7.8274 8.2199 8.2199 8.5679 8.5679 k =-0.0395 0.0225 0.0455 ( 14537 PWs) bands (ev): -47.8738 -47.8738 -47.8712 -47.8712 -19.9206 -19.9206 -19.9011 -19.9011 -19.7522 -19.7522 -19.7254 -19.7254 -19.7189 -19.7189 -19.7131 -19.7131 -7.2333 -7.2333 -5.9669 -5.9669 -5.5265 -5.5265 -5.5248 -5.5248 -0.4043 -0.4043 -0.1392 -0.1392 0.3318 0.3318 1.1755 1.1755 1.2018 1.2018 1.3816 1.3816 1.6788 1.6788 2.9432 2.9432 3.4230 3.4230 3.7029 3.7029 4.2445 4.2445 4.3362 4.3362 6.3408 6.3408 7.0829 7.0829 7.9098 7.9098 8.2438 8.2438 8.5132 8.5132 k =-0.0263 0.0150 0.0303 ( 14553 PWs) bands (ev): -47.8738 -47.8738 -47.8712 -47.8712 -19.9206 -19.9206 -19.9012 -19.9012 -19.7523 -19.7523 -19.7254 -19.7254 -19.7189 -19.7189 -19.7131 -19.7131 -7.2370 -7.2370 -5.9657 -5.9657 -5.5232 -5.5232 -5.5220 -5.5220 -0.3943 -0.3943 -0.1350 -0.1350 0.3238 0.3238 1.1681 1.1681 1.1906 1.1906 1.3698 1.3698 1.6672 1.6672 2.9330 2.9330 3.4512 3.4512 3.7137 3.7137 4.2550 4.2550 4.3439 4.3439 6.2977 6.2977 7.0691 7.0691 7.9947 7.9947 8.2582 8.2582 8.4319 8.4319 k =-0.0132 0.0075 0.0152 ( 14565 PWs) bands (ev): -47.8738 -47.8738 -47.8712 -47.8712 -19.9206 -19.9206 -19.9012 -19.9012 -19.7523 -19.7523 -19.7254 -19.7254 -19.7189 -19.7189 -19.7131 -19.7131 -7.2393 -7.2393 -5.9650 -5.9650 -5.5212 -5.5212 -5.5203 -5.5203 -0.3882 -0.3882 -0.1324 -0.1324 0.3189 0.3189 1.1630 1.1630 1.1845 1.1845 1.3627 1.3627 1.6602 1.6602 2.9269 2.9269 3.4682 3.4682 3.7206 3.7206 4.2614 4.2614 4.3487 4.3487 6.2710 6.2710 7.0608 7.0608 8.0761 8.0761 8.2546 8.2546 8.3624 8.3624 k = 0.0000 0.0000 0.0000 ( 14545 PWs) bands (ev): -47.8738 -47.8738 -47.8712 -47.8712 -19.9206 -19.9206 -19.9012 -19.9012 -19.7522 -19.7522 -19.7254 -19.7254 -19.7189 -19.7189 -19.7130 -19.7130 -7.2400 -7.2400 -5.9648 -5.9648 -5.5206 -5.5206 -5.5197 -5.5197 -0.3862 -0.3862 -0.1315 -0.1315 0.3173 0.3173 1.1611 1.1611 1.1825 1.1825 1.3603 1.3603 1.6578 1.6578 2.9248 2.9248 3.4738 3.4738 3.7229 3.7229 4.2635 4.2635 4.3504 4.3504 6.2619 6.2619 7.0581 7.0581 8.1228 8.1228 8.2352 8.2352 8.3374 8.3374 k = 0.0000 0.0000 0.0000 ( 14545 PWs) bands (ev): -47.8738 -47.8738 -47.8712 -47.8712 -19.9206 -19.9206 -19.9012 -19.9012 -19.7522 -19.7522 -19.7254 -19.7254 -19.7189 -19.7189 -19.7130 -19.7130 -7.2400 -7.2400 -5.9648 -5.9648 -5.5206 -5.5206 -5.5197 -5.5197 -0.3862 -0.3862 -0.1315 -0.1315 0.3173 0.3173 1.1611 1.1611 1.1825 1.1825 1.3603 1.3603 1.6578 1.6578 2.9248 2.9248 3.4738 3.4738 3.7229 3.7229 4.2635 4.2635 4.3504 4.3504 6.2619 6.2619 7.0581 7.0581 8.1228 8.1228 8.2352 8.2352 8.3374 8.3374 k = 0.0106 0.0185-0.0000 ( 14553 PWs) bands (ev): -47.8738 -47.8738 -47.8712 -47.8712 -19.9206 -19.9206 -19.9012 -19.9012 -19.7522 -19.7522 -19.7254 -19.7254 -19.7189 -19.7189 -19.7131 -19.7131 -7.2390 -7.2390 -5.9654 -5.9654 -5.5212 -5.5212 -5.5203 -5.5203 -0.3938 -0.3938 -0.1305 -0.1305 0.3281 0.3281 1.1550 1.1550 1.1663 1.1663 1.3809 1.3809 1.6676 1.6676 2.9215 2.9215 3.4706 3.4706 3.7236 3.7236 4.2627 4.2627 4.3406 4.3406 6.2686 6.2686 7.0641 7.0641 8.1294 8.1294 8.2321 8.2321 8.3350 8.3350 k = 0.0212 0.0371-0.0000 ( 14561 PWs) bands (ev): -47.8738 -47.8738 -47.8712 -47.8712 -19.9205 -19.9205 -19.9013 -19.9013 -19.7522 -19.7522 -19.7255 -19.7255 -19.7189 -19.7189 -19.7131 -19.7131 -7.2358 -7.2358 -5.9674 -5.9674 -5.5232 -5.5232 -5.5223 -5.5223 -0.4153 -0.4153 -0.1272 -0.1272 0.3587 0.3587 1.1311 1.1311 1.1378 1.1378 1.4295 1.4295 1.6955 1.6955 2.9115 2.9115 3.4608 3.4608 3.7257 3.7257 4.2604 4.2604 4.3121 4.3121 6.2881 6.2881 7.0822 7.0822 8.1487 8.1487 8.2229 8.2229 8.3281 8.3281 k = 0.0318 0.0556-0.0000 ( 14533 PWs) bands (ev): -47.8738 -47.8738 -47.8712 -47.8712 -19.9203 -19.9203 -19.9013 -19.9013 -19.7520 -19.7520 -19.7257 -19.7257 -19.7189 -19.7189 -19.7131 -19.7131 -7.2305 -7.2305 -5.9708 -5.9708 -5.5264 -5.5264 -5.5255 -5.5255 -0.4473 -0.4473 -0.1218 -0.1218 0.4052 0.4052 1.0923 1.0923 1.1130 1.1130 1.4911 1.4911 1.7381 1.7381 2.8951 2.8951 3.4439 3.4439 3.7291 3.7291 4.2566 4.2566 4.2675 4.2675 6.3186 6.3186 7.1120 7.1120 8.1798 8.1798 8.2080 8.2080 8.3180 8.3180 k = 0.0424 0.0742-0.0000 ( 14537 PWs) bands (ev): -47.8738 -47.8738 -47.8712 -47.8712 -19.9201 -19.9201 -19.9014 -19.9014 -19.7518 -19.7518 -19.7259 -19.7259 -19.7188 -19.7188 -19.7132 -19.7132 -7.2232 -7.2232 -5.9755 -5.9755 -5.5308 -5.5308 -5.5300 -5.5300 -0.4859 -0.4859 -0.1143 -0.1143 0.4627 0.4627 1.0566 1.0566 1.0838 1.0838 1.5598 1.5598 1.7919 1.7919 2.8727 2.8727 3.4188 3.4188 3.7338 3.7338 4.2104 4.2104 4.2512 4.2512 6.3577 6.3577 7.1534 7.1534 8.1878 8.1878 8.2193 8.2193 8.3086 8.3086 k = 0.0529 0.0927-0.0000 ( 14537 PWs) bands (ev): -47.8737 -47.8737 -47.8712 -47.8712 -19.9199 -19.9199 -19.9016 -19.9016 -19.7516 -19.7516 -19.7262 -19.7262 -19.7188 -19.7188 -19.7132 -19.7132 -7.2138 -7.2138 -5.9815 -5.9815 -5.5365 -5.5365 -5.5357 -5.5357 -0.5280 -0.5280 -0.1047 -0.1047 0.5261 0.5261 1.0283 1.0283 1.0530 1.0530 1.6335 1.6335 1.8542 1.8542 2.8447 2.8447 3.3843 3.3843 3.7399 3.7399 4.1452 4.1452 4.2443 4.2443 6.4029 6.4029 7.2057 7.2057 8.1628 8.1628 8.2495 8.2495 8.3177 8.3177 k = 0.0635 0.1113-0.0000 ( 14533 PWs) bands (ev): -47.8737 -47.8737 -47.8713 -47.8713 -19.9196 -19.9196 -19.9018 -19.9018 -19.7513 -19.7513 -19.7266 -19.7266 -19.7187 -19.7187 -19.7133 -19.7133 -7.2023 -7.2023 -5.9888 -5.9888 -5.5434 -5.5434 -5.5426 -5.5426 -0.5713 -0.5713 -0.0931 -0.0931 0.5889 0.5889 1.0121 1.0121 1.0224 1.0224 1.7111 1.7111 1.9229 1.9229 2.8117 2.8117 3.3388 3.3388 3.7473 3.7473 4.0763 4.0763 4.2359 4.2359 6.4518 6.4518 7.2687 7.2687 8.1322 8.1322 8.2465 8.2465 8.3692 8.3692 k = 0.0741 0.1298-0.0000 ( 14533 PWs) bands (ev): -47.8737 -47.8737 -47.8713 -47.8713 -19.9193 -19.9193 -19.9020 -19.9020 -19.7510 -19.7510 -19.7270 -19.7270 -19.7186 -19.7186 -19.7134 -19.7134 -7.1887 -7.1887 -5.9973 -5.9973 -5.5514 -5.5514 -5.5507 -5.5507 -0.6140 -0.6140 -0.0794 -0.0794 0.6433 0.6433 0.9933 0.9933 1.0147 1.0147 1.7918 1.7918 1.9962 1.9962 2.7745 2.7745 3.2808 3.2808 3.7560 3.7560 4.0082 4.0082 4.2260 4.2260 6.5027 6.5027 7.3416 7.3416 8.0939 8.0939 8.2311 8.2311 8.3839 8.3839 k = 0.0847 0.1484-0.0000 ( 14517 PWs) bands (ev): -47.8736 -47.8736 -47.8713 -47.8713 -19.9189 -19.9189 -19.9022 -19.9022 -19.7507 -19.7507 -19.7275 -19.7275 -19.7185 -19.7185 -19.7134 -19.7134 -7.1732 -7.1732 -6.0070 -6.0070 -5.5606 -5.5606 -5.5599 -5.5599 -0.6552 -0.6552 -0.0639 -0.0639 0.6808 0.6808 0.9664 0.9664 1.0435 1.0435 1.8753 1.8753 2.0729 2.0729 2.7340 2.7340 3.2091 3.2091 3.7660 3.7660 3.9440 3.9440 4.2147 4.2147 6.5540 6.5540 7.4239 7.4239 8.0429 8.0429 8.2139 8.2139 8.3008 8.3008 k = 0.0953 0.1669-0.0000 ( 14481 PWs) bands (ev): -47.8736 -47.8736 -47.8714 -47.8714 -19.9184 -19.9184 -19.9025 -19.9025 -19.7502 -19.7502 -19.7281 -19.7281 -19.7184 -19.7184 -19.7135 -19.7135 -7.1556 -7.1556 -6.0180 -6.0180 -5.5709 -5.5709 -5.5702 -5.5702 -0.6939 -0.6939 -0.0465 -0.0465 0.6988 0.6988 0.9423 0.9423 1.1002 1.1002 1.9611 1.9611 2.1512 2.1512 2.6916 2.6916 3.1240 3.1240 3.7773 3.7773 3.8858 3.8858 4.2019 4.2019 6.6051 6.6051 7.5148 7.5148 7.9730 7.9730 8.1973 8.1973 8.2338 8.2338 k = 0.1059 0.1855-0.0000 ( 14465 PWs) bands (ev): -47.8735 -47.8735 -47.8714 -47.8714 -19.9179 -19.9179 -19.9028 -19.9028 -19.7497 -19.7497 -19.7287 -19.7287 -19.7182 -19.7182 -19.7136 -19.7136 -7.1360 -7.1360 -6.0300 -6.0300 -5.5821 -5.5821 -5.5816 -5.5816 -0.7297 -0.7297 -0.0273 -0.0273 0.7028 0.7028 0.9214 0.9214 1.1790 1.1790 2.0489 2.0489 2.2288 2.2288 2.6496 2.6496 3.0264 3.0264 3.7898 3.7898 3.8342 3.8342 4.1877 4.1877 6.6552 6.6552 7.6139 7.6139 7.8831 7.8831 8.1826 8.1826 8.1863 8.1863 k = 0.1165 0.2040-0.0000 ( 14461 PWs) bands (ev): -47.8735 -47.8735 -47.8715 -47.8715 -19.9174 -19.9174 -19.9031 -19.9031 -19.7492 -19.7492 -19.7293 -19.7293 -19.7181 -19.7181 -19.7137 -19.7137 -7.1145 -7.1145 -6.0432 -6.0432 -5.5944 -5.5944 -5.5939 -5.5939 -0.7622 -0.7622 -0.0065 -0.0065 0.6996 0.6996 0.9038 0.9038 1.2721 1.2721 2.1382 2.1382 2.3002 2.3002 2.6131 2.6131 2.9187 2.9187 3.7888 3.7888 3.8035 3.8035 4.1723 4.1723 6.7042 6.7042 7.7202 7.7202 7.7786 7.7786 8.1543 8.1543 8.1705 8.1705 k = 0.1271 0.2226-0.0000 ( 14501 PWs) bands (ev): -47.8734 -47.8734 -47.8715 -47.8715 -19.9170 -19.9170 -19.9035 -19.9035 -19.7488 -19.7488 -19.7300 -19.7300 -19.7180 -19.7180 -19.7139 -19.7139 -7.0911 -7.0911 -6.0574 -6.0574 -5.6075 -5.6075 -5.6071 -5.6071 -0.7911 -0.7911 0.0157 0.0157 0.6940 0.6940 0.8899 0.8899 1.3744 1.3744 2.2287 2.2287 2.3518 2.3518 2.5949 2.5949 2.8039 2.8039 3.7485 3.7485 3.8184 3.8184 4.1556 4.1556 6.7518 6.7518 7.6659 7.6659 7.8332 7.8332 8.1331 8.1331 8.1615 8.1615 k = 0.1377 0.2411-0.0000 ( 14477 PWs) bands (ev): -47.8733 -47.8733 -47.8716 -47.8716 -19.9164 -19.9164 -19.9039 -19.9039 -19.7481 -19.7481 -19.7307 -19.7307 -19.7178 -19.7178 -19.7140 -19.7140 -7.0658 -7.0658 -6.0725 -6.0725 -5.6215 -5.6215 -5.6211 -5.6211 -0.8162 -0.8162 0.0392 0.0392 0.6888 0.6888 0.8797 0.8797 1.4826 1.4826 2.3200 2.3200 2.3624 2.3624 2.6096 2.6096 2.6909 2.6909 3.7121 3.7121 3.8345 3.8345 4.1377 4.1377 6.7980 6.7980 7.5492 7.5492 7.9518 7.9518 8.1194 8.1194 8.1562 8.1562 k = 0.1483 0.2597-0.0000 ( 14505 PWs) bands (ev): -47.8733 -47.8733 -47.8717 -47.8717 -19.9158 -19.9158 -19.9044 -19.9044 -19.7475 -19.7475 -19.7316 -19.7316 -19.7177 -19.7177 -19.7142 -19.7142 -7.0387 -7.0387 -6.0886 -6.0886 -5.6363 -5.6363 -5.6359 -5.6359 -0.8375 -0.8375 0.0637 0.0637 0.6853 0.6853 0.8731 0.8731 1.5947 1.5947 2.3327 2.3327 2.4115 2.4115 2.5487 2.5487 2.6897 2.6897 3.6787 3.6787 3.8516 3.8516 4.1187 4.1187 6.8428 6.8428 7.4311 7.4311 8.0737 8.0737 8.1118 8.1118 8.1564 8.1564 k = 0.1588 0.2782-0.0000 ( 14505 PWs) bands (ev): -47.8732 -47.8732 -47.8717 -47.8717 -19.9152 -19.9152 -19.9048 -19.9048 -19.7469 -19.7469 -19.7324 -19.7324 -19.7175 -19.7175 -19.7143 -19.7143 -7.0098 -7.0098 -6.1054 -6.1054 -5.6518 -5.6518 -5.6514 -5.6514 -0.8547 -0.8547 0.0890 0.0890 0.6844 0.6844 0.8704 0.8704 1.7093 1.7093 2.2795 2.2795 2.4319 2.4319 2.5029 2.5029 2.7653 2.7653 3.6474 3.6474 3.8698 3.8698 4.0989 4.0989 6.8861 6.8861 7.3136 7.3136 8.1091 8.1091 8.1475 8.1475 8.2124 8.2124 k = 0.1694 0.2968-0.0000 ( 14497 PWs) bands (ev): -47.8731 -47.8731 -47.8718 -47.8718 -19.9146 -19.9146 -19.9053 -19.9053 -19.7462 -19.7462 -19.7332 -19.7332 -19.7174 -19.7174 -19.7145 -19.7145 -6.9792 -6.9792 -6.1230 -6.1230 -5.6679 -5.6679 -5.6675 -5.6675 -0.8680 -0.8680 0.1145 0.1145 0.6866 0.6866 0.8713 0.8713 1.8252 1.8252 2.2056 2.2056 2.3246 2.3246 2.5936 2.5936 2.8509 2.8509 3.6176 3.6176 3.8889 3.8889 4.0783 4.0783 6.9276 6.9276 7.1978 7.1978 8.1106 8.1106 8.1556 8.1556 8.3404 8.3404 k = 0.1800 0.3153-0.0000 ( 14465 PWs) bands (ev): -47.8730 -47.8730 -47.8719 -47.8719 -19.9139 -19.9139 -19.9058 -19.9058 -19.7454 -19.7454 -19.7341 -19.7341 -19.7172 -19.7172 -19.7147 -19.7147 -6.9470 -6.9470 -6.1413 -6.1413 -5.6845 -5.6845 -5.6841 -5.6841 -0.8773 -0.8773 0.1400 0.1400 0.6921 0.6921 0.8758 0.8758 1.9414 1.9414 2.1067 2.1067 2.2394 2.2394 2.6829 2.6829 2.9398 2.9398 3.5888 3.5888 3.9089 3.9089 4.0572 4.0572 6.9672 6.9672 7.0851 7.0851 8.1151 8.1151 8.1634 8.1634 8.4724 8.4724 k = 0.1906 0.3338-0.0000 ( 14477 PWs) bands (ev): -47.8730 -47.8730 -47.8720 -47.8720 -19.9133 -19.9133 -19.9063 -19.9063 -19.7447 -19.7447 -19.7350 -19.7350 -19.7170 -19.7170 -19.7148 -19.7148 -6.9131 -6.9131 -6.1601 -6.1601 -5.7016 -5.7016 -5.7011 -5.7011 -0.8825 -0.8825 0.1646 0.1646 0.7011 0.7011 0.8839 0.8839 1.9918 1.9918 2.0570 2.0570 2.1709 2.1709 2.7704 2.7704 3.0294 3.0294 3.5608 3.5608 3.9293 3.9293 4.0360 4.0360 6.9766 6.9766 7.0045 7.0045 8.1213 8.1213 8.1721 8.1721 8.6003 8.6003 k = 0.2012 0.3524-0.0000 ( 14493 PWs) bands (ev): -47.8729 -47.8729 -47.8721 -47.8721 -19.9127 -19.9127 -19.9069 -19.9069 -19.7439 -19.7439 -19.7359 -19.7359 -19.7168 -19.7168 -19.7151 -19.7151 -6.8778 -6.8778 -6.1795 -6.1795 -5.7191 -5.7191 -5.7186 -5.7186 -0.8839 -0.8839 0.1875 0.1875 0.7137 0.7137 0.8952 0.8952 1.8735 1.8735 2.1093 2.1093 2.1709 2.1709 2.8552 2.8552 3.1183 3.1183 3.5334 3.5334 3.9492 3.9492 4.0159 4.0159 6.8734 6.8734 7.0389 7.0389 8.1265 8.1265 8.1796 8.1796 8.6876 8.6876 k = 0.2118 0.3709-0.0000 ( 14481 PWs) bands (ev): -47.8728 -47.8728 -47.8721 -47.8721 -19.9120 -19.9120 -19.9074 -19.9074 -19.7431 -19.7431 -19.7367 -19.7367 -19.7166 -19.7166 -19.7153 -19.7153 -6.8410 -6.8410 -6.1992 -6.1992 -5.7368 -5.7368 -5.7363 -5.7363 -0.8813 -0.8813 0.2076 0.2076 0.7300 0.7300 0.9095 0.9095 1.7580 1.7580 2.0509 2.0509 2.2820 2.2820 2.9367 2.9367 3.2052 3.2052 3.5065 3.5065 3.9630 3.9630 4.0025 4.0025 6.7770 6.7770 7.0698 7.0698 8.1262 8.1262 8.1815 8.1815 8.6405 8.6405 k = 0.2224 0.3895-0.0000 ( 14477 PWs) bands (ev): -47.8727 -47.8727 -47.8722 -47.8722 -19.9113 -19.9113 -19.9080 -19.9080 -19.7422 -19.7422 -19.7376 -19.7376 -19.7164 -19.7164 -19.7155 -19.7155 -6.8028 -6.8028 -6.2193 -6.2193 -5.7548 -5.7548 -5.7542 -5.7542 -0.8750 -0.8750 0.2233 0.2233 0.7499 0.7499 0.9264 0.9264 1.6492 1.6492 1.9946 1.9946 2.3890 2.3890 3.0141 3.0141 3.2891 3.2891 3.4801 3.4801 3.9560 3.9560 4.0106 4.0106 6.6885 6.6885 7.0962 7.0962 8.1140 8.1140 8.1694 8.1694 8.5591 8.5591 k = 0.2330 0.4080-0.0000 ( 14465 PWs) bands (ev): -47.8726 -47.8726 -47.8723 -47.8723 -19.9107 -19.9107 -19.9086 -19.9086 -19.7414 -19.7414 -19.7385 -19.7385 -19.7162 -19.7162 -19.7157 -19.7157 -6.7635 -6.7635 -6.2395 -6.2395 -5.7729 -5.7729 -5.7723 -5.7723 -0.8649 -0.8649 0.2328 0.2328 0.7734 0.7734 0.9452 0.9452 1.5505 1.5505 1.9402 1.9402 2.4907 2.4907 3.0866 3.0866 3.3683 3.3683 3.4547 3.4547 3.9371 3.9371 4.0313 4.0313 6.6094 6.6094 7.1171 7.1171 8.0831 8.0831 8.1342 8.1342 8.4693 8.4693 k = 0.2436 0.4266-0.0000 ( 14421 PWs) bands (ev): -47.8725 -47.8725 -47.8724 -47.8724 -19.9100 -19.9100 -19.9092 -19.9092 -19.7405 -19.7405 -19.7394 -19.7394 -19.7160 -19.7160 -19.7158 -19.7158 -6.7230 -6.7230 -6.2599 -6.2599 -5.7910 -5.7910 -5.7904 -5.7904 -0.8513 -0.8513 0.2337 0.2337 0.8005 0.8005 0.9652 0.9652 1.4655 1.4655 1.8877 1.8877 2.5855 2.5855 3.1533 3.1533 3.4202 3.4202 3.4521 3.4521 3.9162 3.9162 4.0549 4.0549 6.5414 6.5414 7.1312 7.1312 8.0327 8.0327 8.0752 8.0752 8.3738 8.3738 k = 0.2542 0.4451-0.0000 ( 14437 PWs) bands (ev): -47.8725 -47.8725 -47.8724 -47.8724 -19.9099 -19.9099 -19.9094 -19.9094 -19.7403 -19.7403 -19.7396 -19.7396 -19.7160 -19.7160 -19.7158 -19.7158 -6.6814 -6.6814 -6.2802 -6.2802 -5.8091 -5.8091 -5.8085 -5.8085 -0.8342 -0.8342 0.2234 0.2234 0.8312 0.8312 0.9852 0.9852 1.3981 1.3981 1.8372 1.8372 2.6720 2.6720 3.2137 3.2137 3.3995 3.3995 3.5164 3.5164 3.8951 3.8951 4.0794 4.0794 6.4860 6.4860 7.1371 7.1371 7.9695 7.9695 8.0020 8.0020 8.2760 8.2760 k = 0.2647 0.4637-0.0000 ( 14452 PWs) bands (ev): -47.8726 -47.8726 -47.8723 -47.8723 -19.9105 -19.9105 -19.9088 -19.9088 -19.7412 -19.7412 -19.7387 -19.7387 -19.7163 -19.7163 -19.7156 -19.7156 -6.6391 -6.6391 -6.3005 -6.3005 -5.8271 -5.8271 -5.8264 -5.8264 -0.8138 -0.8138 0.1996 0.1996 0.8653 0.8653 1.0042 1.0042 1.3517 1.3517 1.7891 1.7891 2.7486 2.7486 3.2669 3.2669 3.3748 3.3748 3.5781 3.5781 3.8745 3.8745 4.1039 4.1039 6.4450 6.4450 7.1332 7.1332 7.9020 7.9020 7.9252 7.9252 8.1779 8.1779 k = 0.2753 0.4822-0.0000 ( 14452 PWs) bands (ev): -47.8727 -47.8727 -47.8723 -47.8723 -19.9112 -19.9112 -19.9081 -19.9081 -19.7421 -19.7421 -19.7378 -19.7378 -19.7164 -19.7164 -19.7154 -19.7154 -6.5959 -6.5959 -6.3207 -6.3207 -5.8448 -5.8448 -5.8441 -5.8441 -0.7903 -0.7903 0.1612 0.1612 0.9029 0.9029 1.0216 1.0216 1.3281 1.3281 1.7436 1.7436 2.8139 2.8139 3.3123 3.3123 3.3501 3.3501 3.6321 3.6321 3.8547 3.8547 4.1280 4.1280 6.4198 6.4198 7.1180 7.1180 7.8366 7.8366 7.8517 7.8517 8.0813 8.0813 k = 0.2859 0.5008-0.0000 ( 14460 PWs) bands (ev): -47.8727 -47.8727 -47.8722 -47.8722 -19.9119 -19.9119 -19.9075 -19.9075 -19.7429 -19.7429 -19.7369 -19.7369 -19.7167 -19.7167 -19.7152 -19.7152 -6.5522 -6.5522 -6.3405 -6.3405 -5.8623 -5.8623 -5.8616 -5.8616 -0.7638 -0.7638 0.1083 0.1083 0.9438 0.9438 1.0382 1.0382 1.3260 1.3260 1.7011 1.7011 2.8667 2.8667 3.3258 3.3258 3.3495 3.3495 3.6771 3.6771 3.8357 3.8357 4.1512 4.1512 6.4120 6.4120 7.0905 7.0905 7.7775 7.7775 7.7853 7.7853 7.9884 7.9884 k = 0.2965 0.5193-0.0000 ( 14468 PWs) bands (ev): -47.8728 -47.8728 -47.8721 -47.8721 -19.9125 -19.9125 -19.9070 -19.9070 -19.7437 -19.7437 -19.7360 -19.7360 -19.7169 -19.7169 -19.7150 -19.7150 -6.5081 -6.5081 -6.3601 -6.3601 -5.8794 -5.8794 -5.8787 -5.8787 -0.7346 -0.7346 0.0428 0.0428 0.9879 0.9879 1.0555 1.0555 1.3417 1.3417 1.6622 1.6622 2.9062 2.9062 3.3021 3.3021 3.3782 3.3782 3.7121 3.7121 3.8175 3.8175 4.1730 4.1730 6.4225 6.4225 7.0498 7.0498 7.7272 7.7272 7.7286 7.7286 7.9012 7.9012 k = 0.3071 0.5379-0.0000 ( 14460 PWs) bands (ev): -47.8729 -47.8729 -47.8720 -47.8720 -19.9132 -19.9132 -19.9064 -19.9064 -19.7445 -19.7445 -19.7351 -19.7351 -19.7171 -19.7171 -19.7148 -19.7148 -6.4638 -6.4638 -6.3792 -6.3792 -5.8962 -5.8962 -5.8954 -5.8954 -0.7028 -0.7028 -0.0325 -0.0325 1.0351 1.0351 1.0747 1.0747 1.3708 1.3708 1.6274 1.6274 2.9320 2.9320 3.2790 3.2790 3.3981 3.3981 3.7364 3.7364 3.7999 3.7999 4.1931 4.1931 6.4520 6.4520 6.9962 6.9962 7.6827 7.6827 7.6874 7.6874 7.8213 7.8213 k = 0.3177 0.5564-0.0000 ( 14456 PWs) bands (ev): -47.8730 -47.8730 -47.8719 -47.8719 -19.9138 -19.9138 -19.9059 -19.9059 -19.7453 -19.7453 -19.7342 -19.7342 -19.7172 -19.7172 -19.7146 -19.7146 -6.4194 -6.4194 -6.3977 -6.3977 -5.9124 -5.9124 -5.9116 -5.9116 -0.6688 -0.6688 -0.1147 -0.1147 1.0853 1.0853 1.0957 1.0957 1.4096 1.4096 1.5978 1.5978 2.9445 2.9445 3.2566 3.2566 3.4094 3.4094 3.7494 3.7494 3.7825 3.7825 4.2113 4.2113 6.5007 6.5007 6.9306 6.9306 7.6483 7.6483 7.6589 7.6589 7.7497 7.7497 k = 0.3283 0.5750-0.0000 ( 14456 PWs) bands (ev): -47.8731 -47.8731 -47.8718 -47.8718 -19.9144 -19.9144 -19.9054 -19.9054 -19.7460 -19.7460 -19.7334 -19.7334 -19.7174 -19.7174 -19.7145 -19.7145 -6.4157 -6.4157 -6.3753 -6.3753 -5.9281 -5.9281 -5.9273 -5.9273 -0.6328 -0.6328 -0.2011 -0.2011 1.1170 1.1170 1.1384 1.1384 1.4557 1.4557 1.5744 1.5744 2.9445 2.9445 3.2350 3.2350 3.4120 3.4120 3.7507 3.7507 3.7650 3.7650 4.2274 4.2274 6.5682 6.5682 6.8549 6.8549 7.6240 7.6240 7.6423 7.6423 7.6882 7.6882 k = 0.3389 0.5935-0.0000 ( 14484 PWs) bands (ev): -47.8732 -47.8732 -47.8718 -47.8718 -19.9151 -19.9151 -19.9049 -19.9049 -19.7467 -19.7467 -19.7326 -19.7326 -19.7176 -19.7176 -19.7143 -19.7143 -6.4330 -6.4330 -6.3316 -6.3316 -5.9431 -5.9431 -5.9423 -5.9423 -0.5950 -0.5950 -0.2894 -0.2894 1.1367 1.1367 1.1941 1.1941 1.5074 1.5074 1.5588 1.5588 2.9332 2.9332 3.2142 3.2142 3.4064 3.4064 3.7405 3.7405 3.7467 3.7467 4.2417 4.2417 6.6536 6.6536 6.7715 6.7715 7.5999 7.5999 7.6376 7.6376 7.6462 7.6462 k = 0.3495 0.6121-0.0000 ( 14468 PWs) bands (ev): -47.8732 -47.8732 -47.8717 -47.8717 -19.9157 -19.9157 -19.9044 -19.9044 -19.7474 -19.7474 -19.7317 -19.7317 -19.7178 -19.7178 -19.7141 -19.7141 -6.4495 -6.4495 -6.2885 -6.2885 -5.9575 -5.9575 -5.9567 -5.9567 -0.5559 -0.5559 -0.3778 -0.3778 1.1523 1.1523 1.2523 1.2523 1.5522 1.5522 1.5639 1.5639 2.9121 2.9121 3.1944 3.1944 3.3929 3.3929 3.7189 3.7189 3.7273 3.7273 4.2542 4.2542 6.6828 6.6828 6.7559 6.7559 7.5599 7.5599 7.6385 7.6385 7.6446 7.6446 k = 0.3600 0.6306-0.0000 ( 14492 PWs) bands (ev): -47.8733 -47.8733 -47.8716 -47.8716 -19.9163 -19.9163 -19.9040 -19.9040 -19.7480 -19.7480 -19.7310 -19.7310 -19.7179 -19.7179 -19.7140 -19.7140 -6.4652 -6.4652 -6.2465 -6.2465 -5.9711 -5.9711 -5.9704 -5.9704 -0.5157 -0.5157 -0.4649 -0.4649 1.1622 1.1622 1.3127 1.3127 1.5561 1.5561 1.6241 1.6241 2.8831 2.8831 3.1756 3.1756 3.3719 3.3719 3.6865 3.6865 3.7067 3.7067 4.2654 4.2654 6.5913 6.5913 6.8737 6.8737 7.5161 7.5161 7.6515 7.6515 7.6625 7.6625 k = 0.3706 0.6492-0.0000 ( 14488 PWs) bands (ev): -47.8734 -47.8734 -47.8715 -47.8715 -19.9168 -19.9168 -19.9037 -19.9037 -19.7486 -19.7486 -19.7303 -19.7303 -19.7181 -19.7181 -19.7138 -19.7138 -6.4801 -6.4801 -6.2056 -6.2056 -5.9840 -5.9840 -5.9832 -5.9832 -0.5495 -0.5495 -0.4750 -0.4750 1.1656 1.1656 1.3752 1.3752 1.5697 1.5697 1.6879 1.6879 2.8479 2.8479 3.1578 3.1578 3.3436 3.3436 3.6441 3.6441 3.6852 3.6852 4.2756 4.2756 6.4991 6.4991 7.0053 7.0053 7.4750 7.4750 7.6772 7.6772 7.6906 7.6906 k = 0.3812 0.6677-0.0000 ( 14492 PWs) bands (ev): -47.8734 -47.8734 -47.8715 -47.8715 -19.9174 -19.9174 -19.9033 -19.9033 -19.7491 -19.7491 -19.7296 -19.7296 -19.7182 -19.7182 -19.7137 -19.7137 -6.4940 -6.4940 -6.1663 -6.1663 -5.9960 -5.9960 -5.9953 -5.9953 -0.6306 -0.6306 -0.4341 -0.4341 1.1633 1.1633 1.4393 1.4393 1.5919 1.5919 1.7550 1.7550 2.8083 2.8083 3.1411 3.1411 3.3082 3.3082 3.5926 3.5926 3.6633 3.6633 4.2849 4.2849 6.4080 6.4080 7.1495 7.1495 7.4373 7.4373 7.7128 7.7128 7.7276 7.7276 k = 0.3918 0.6862-0.0000 ( 14488 PWs) bands (ev): -47.8735 -47.8735 -47.8714 -47.8714 -19.9179 -19.9179 -19.9029 -19.9029 -19.7497 -19.7497 -19.7289 -19.7289 -19.7184 -19.7184 -19.7136 -19.7136 -6.5069 -6.5069 -6.1288 -6.1288 -6.0072 -6.0072 -6.0064 -6.0064 -0.7074 -0.7074 -0.3935 -0.3935 1.1566 1.1566 1.5046 1.5046 1.6202 1.6202 1.8251 1.8251 2.7663 2.7663 3.1256 3.1256 3.2659 3.2659 3.5331 3.5331 3.6418 3.6418 4.2935 4.2935 6.3197 6.3197 7.3047 7.3047 7.4031 7.4031 7.7567 7.7567 7.7724 7.7724 k = 0.4024 0.7048-0.0000 ( 14492 PWs) bands (ev): -47.8735 -47.8735 -47.8714 -47.8714 -19.9184 -19.9184 -19.9026 -19.9026 -19.7501 -19.7501 -19.7282 -19.7282 -19.7185 -19.7185 -19.7135 -19.7135 -6.5187 -6.5187 -6.0935 -6.0935 -6.0174 -6.0174 -6.0167 -6.0167 -0.7793 -0.7793 -0.3538 -0.3538 1.1471 1.1471 1.5706 1.5706 1.6523 1.6523 1.8980 1.8980 2.7237 2.7237 3.1112 3.1112 3.2172 3.2172 3.4666 3.4666 3.6213 3.6213 4.3015 4.3015 6.2354 6.2354 7.3724 7.3724 7.4696 7.4696 7.8072 7.8072 7.8235 7.8235 k = 0.4130 0.7233-0.0000 ( 14468 PWs) bands (ev): -47.8736 -47.8736 -47.8713 -47.8713 -19.9188 -19.9188 -19.9023 -19.9023 -19.7505 -19.7505 -19.7277 -19.7277 -19.7185 -19.7185 -19.7134 -19.7134 -6.5295 -6.5295 -6.0607 -6.0607 -6.0267 -6.0267 -6.0260 -6.0260 -0.8454 -0.8454 -0.3155 -0.3155 1.1364 1.1364 1.6367 1.6367 1.6861 1.6861 1.9737 1.9737 2.6824 2.6824 3.0980 3.0980 3.1627 3.1627 3.3942 3.3942 3.6024 3.6024 4.3090 4.3090 6.1564 6.1564 7.3449 7.3449 7.6427 7.6427 7.8625 7.8625 7.8795 7.8795 k = 0.4130 0.7233-0.0000 ( 14468 PWs) bands (ev): -47.8736 -47.8736 -47.8713 -47.8713 -19.9188 -19.9188 -19.9023 -19.9023 -19.7505 -19.7505 -19.7277 -19.7277 -19.7185 -19.7185 -19.7134 -19.7134 -6.5295 -6.5295 -6.0607 -6.0607 -6.0267 -6.0267 -6.0260 -6.0260 -0.8454 -0.8454 -0.3155 -0.3155 1.1364 1.1364 1.6367 1.6367 1.6861 1.6861 1.9737 1.9737 2.6824 2.6824 3.0980 3.0980 3.1627 3.1627 3.3942 3.3942 3.6024 3.6024 4.3090 4.3090 6.1564 6.1564 7.3449 7.3449 7.6427 7.6427 7.8625 7.8625 7.8795 7.8795 k = 0.4077 0.7141 0.0186 ( 14476 PWs) bands (ev): -47.8736 -47.8736 -47.8714 -47.8714 -19.9186 -19.9186 -19.9024 -19.9024 -19.7503 -19.7503 -19.7279 -19.7279 -19.7185 -19.7185 -19.7134 -19.7134 -6.5260 -6.5260 -6.0771 -6.0771 -6.0217 -6.0217 -6.0194 -6.0194 -0.8129 -0.8129 -0.3345 -0.3345 1.1420 1.1420 1.5824 1.5824 1.6876 1.6876 1.9419 1.9419 2.6991 2.6991 3.1021 3.1021 3.1918 3.1918 3.4317 3.4317 3.6089 3.6089 4.3032 4.3032 6.1971 6.1971 7.3628 7.3628 7.5557 7.5557 7.8343 7.8343 7.8514 7.8514 k = 0.4025 0.7049 0.0371 ( 14484 PWs) bands (ev): -47.8735 -47.8735 -47.8714 -47.8714 -19.9184 -19.9184 -19.9026 -19.9026 -19.7501 -19.7501 -19.7282 -19.7282 -19.7185 -19.7185 -19.7135 -19.7135 -6.5254 -6.5254 -6.0942 -6.0942 -6.0172 -6.0172 -6.0081 -6.0081 -0.7782 -0.7782 -0.3543 -0.3543 1.1472 1.1472 1.5163 1.5163 1.6940 1.6940 1.9246 1.9246 2.7096 2.7096 3.1023 3.1023 3.2215 3.2215 3.4691 3.4691 3.6111 3.6111 4.2930 4.2930 6.2427 6.2427 7.3907 7.3907 7.4722 7.4722 7.8061 7.8061 7.8254 7.8254 k = 0.3972 0.6957 0.0557 ( 14476 PWs) bands (ev): -47.8735 -47.8735 -47.8714 -47.8714 -19.9181 -19.9181 -19.9027 -19.9027 -19.7499 -19.7499 -19.7285 -19.7285 -19.7184 -19.7184 -19.7135 -19.7135 -6.5273 -6.5273 -6.1112 -6.1112 -6.0126 -6.0126 -5.9936 -5.9936 -0.7416 -0.7416 -0.3746 -0.3746 1.1502 1.1502 1.4512 1.4512 1.6943 1.6943 1.9227 1.9227 2.7143 2.7143 3.0990 3.0990 3.2502 3.2502 3.5054 3.5054 3.6097 3.6097 4.2785 4.2785 6.2917 6.2917 7.3940 7.3940 7.4280 7.4280 7.7779 7.7779 7.8033 7.8033 k = 0.3920 0.6865 0.0743 ( 14477 PWs) bands (ev): -47.8735 -47.8735 -47.8714 -47.8714 -19.9179 -19.9179 -19.9029 -19.9029 -19.7497 -19.7497 -19.7288 -19.7288 -19.7183 -19.7183 -19.7136 -19.7136 -6.5314 -6.5314 -6.1280 -6.1280 -6.0078 -6.0078 -5.9765 -5.9765 -0.7037 -0.7037 -0.3950 -0.3950 1.1479 1.1479 1.3914 1.3914 1.6895 1.6895 1.9342 1.9342 2.7138 2.7138 3.0926 3.0926 3.2769 3.2769 3.5394 3.5394 3.6062 3.6062 4.2597 4.2597 6.3415 6.3415 7.3235 7.3235 7.4730 7.4730 7.7512 7.7512 7.7860 7.7860 k = 0.3867 0.6773 0.0929 ( 14479 PWs) bands (ev): -47.8735 -47.8735 -47.8715 -47.8715 -19.9177 -19.9177 -19.9030 -19.9030 -19.7494 -19.7494 -19.7291 -19.7291 -19.7182 -19.7182 -19.7136 -19.7136 -6.5371 -6.5371 -6.1445 -6.1445 -6.0030 -6.0030 -5.9575 -5.9575 -0.6649 -0.6649 -0.4149 -0.4149 1.1360 1.1360 1.3417 1.3417 1.6833 1.6833 1.9549 1.9549 2.7085 2.7085 3.0833 3.0833 3.3009 3.3009 3.5678 3.5678 3.6039 3.6039 4.2370 4.2370 6.3894 6.3894 7.2618 7.2618 7.5247 7.5247 7.7288 7.7288 7.7735 7.7735 k = 0.3815 0.6681 0.1114 ( 14477 PWs) bands (ev): -47.8734 -47.8734 -47.8715 -47.8715 -19.9174 -19.9174 -19.9032 -19.9032 -19.7492 -19.7492 -19.7295 -19.7295 -19.7182 -19.7182 -19.7137 -19.7137 -6.5439 -6.5439 -6.1606 -6.1606 -5.9981 -5.9981 -5.9372 -5.9372 -0.6266 -0.6266 -0.4332 -0.4332 1.1108 1.1108 1.3056 1.3056 1.6796 1.6796 1.9813 1.9813 2.6987 2.6987 3.0717 3.0717 3.3217 3.3217 3.5793 3.5793 3.6142 3.6142 4.2107 4.2107 6.4319 6.4319 7.2101 7.2101 7.5808 7.5808 7.7145 7.7145 7.7657 7.7657 k = 0.3762 0.6589 0.1300 ( 14469 PWs) bands (ev): -47.8734 -47.8734 -47.8715 -47.8715 -19.9171 -19.9171 -19.9034 -19.9034 -19.7489 -19.7489 -19.7298 -19.7298 -19.7181 -19.7181 -19.7138 -19.7138 -6.5515 -6.5515 -6.1765 -6.1765 -5.9930 -5.9930 -5.9161 -5.9161 -0.5910 -0.5910 -0.4476 -0.4476 1.0731 1.0731 1.2820 1.2820 1.6814 1.6814 2.0105 2.0105 2.6845 2.6845 3.0586 3.0586 3.3391 3.3391 3.5756 3.5756 3.6358 3.6358 4.1812 4.1812 6.4659 6.4659 7.1683 7.1683 7.6371 7.6371 7.7136 7.7136 7.7631 7.7631 k = 0.3709 0.6497 0.1486 ( 14475 PWs) bands (ev): -47.8734 -47.8734 -47.8716 -47.8716 -19.9169 -19.9169 -19.9036 -19.9036 -19.7486 -19.7486 -19.7302 -19.7302 -19.7180 -19.7180 -19.7138 -19.7138 -6.5594 -6.5594 -6.1919 -6.1919 -5.9878 -5.9878 -5.8947 -5.8947 -0.5635 -0.5635 -0.4529 -0.4529 1.0283 1.0283 1.2653 1.2653 1.6901 1.6901 2.0405 2.0405 2.6665 2.6665 3.0448 3.0448 3.3530 3.3530 3.5686 3.5686 3.6564 3.6564 4.1490 4.1490 6.4894 6.4894 7.1352 7.1352 7.6824 7.6824 7.7363 7.7363 7.7680 7.7680 k = 0.3657 0.6405 0.1672 ( 14476 PWs) bands (ev): -47.8733 -47.8733 -47.8716 -47.8716 -19.9166 -19.9166 -19.9038 -19.9038 -19.7483 -19.7483 -19.7305 -19.7305 -19.7180 -19.7180 -19.7139 -19.7139 -6.5674 -6.5674 -6.2070 -6.2070 -5.9825 -5.9825 -5.8735 -5.8735 -0.5521 -0.5521 -0.4412 -0.4412 0.9818 0.9818 1.2507 1.2507 1.7066 1.7066 2.0695 2.0695 2.6452 2.6452 3.0312 3.0312 3.3636 3.3636 3.5607 3.5607 3.6733 3.6733 4.1146 4.1146 6.5025 6.5025 7.1077 7.1077 7.7122 7.7122 7.7681 7.7681 7.7990 7.7990 k = 0.3604 0.6312 0.1857 ( 14480 PWs) bands (ev): -47.8733 -47.8733 -47.8716 -47.8716 -19.9163 -19.9163 -19.9040 -19.9040 -19.7481 -19.7481 -19.7309 -19.7309 -19.7179 -19.7179 -19.7140 -19.7140 -6.5751 -6.5751 -6.2216 -6.2216 -5.9770 -5.9770 -5.8529 -5.8529 -0.5560 -0.5560 -0.4137 -0.4137 0.9369 0.9369 1.2354 1.2354 1.7307 1.7307 2.0958 2.0958 2.6218 2.6218 3.0186 3.0186 3.3712 3.3712 3.5520 3.5520 3.6859 3.6859 4.0787 4.0787 6.5073 6.5073 7.0827 7.0827 7.7368 7.7368 7.7951 7.7951 7.8573 7.8573 k = 0.3552 0.6220 0.2043 ( 14479 PWs) bands (ev): -47.8733 -47.8733 -47.8717 -47.8717 -19.9160 -19.9160 -19.9042 -19.9042 -19.7478 -19.7478 -19.7313 -19.7313 -19.7178 -19.7178 -19.7141 -19.7141 -6.5823 -6.5823 -6.2359 -6.2359 -5.9713 -5.9713 -5.8333 -5.8333 -0.5663 -0.5663 -0.3794 -0.3794 0.8955 0.8955 1.2188 1.2188 1.7616 1.7616 2.1174 2.1174 2.5982 2.5982 3.0078 3.0078 3.3762 3.3762 3.5423 3.5423 3.6939 3.6939 4.0418 4.0418 6.5068 6.5068 7.0578 7.0578 7.7553 7.7553 7.8363 7.8363 7.9184 7.9184 k = 0.3499 0.6128 0.2229 ( 14481 PWs) bands (ev): -47.8732 -47.8732 -47.8717 -47.8717 -19.9157 -19.9157 -19.9044 -19.9044 -19.7474 -19.7474 -19.7317 -19.7317 -19.7177 -19.7177 -19.7142 -19.7142 -6.5888 -6.5888 -6.2497 -6.2497 -5.9656 -5.9656 -5.8150 -5.8150 -0.5781 -0.5781 -0.3438 -0.3438 0.8588 0.8588 1.2007 1.2007 1.7984 1.7984 2.1321 2.1321 2.5768 2.5768 2.9989 2.9989 3.3788 3.3788 3.5313 3.5313 3.6972 3.6972 4.0048 4.0048 6.5043 6.5043 7.0321 7.0321 7.7703 7.7703 7.8842 7.8842 7.9777 7.9777 k = 0.3446 0.6036 0.2414 ( 14479 PWs) bands (ev): -47.8732 -47.8732 -47.8717 -47.8717 -19.9154 -19.9154 -19.9046 -19.9046 -19.7471 -19.7471 -19.7321 -19.7321 -19.7177 -19.7177 -19.7143 -19.7143 -6.5945 -6.5945 -6.2632 -6.2632 -5.9596 -5.9596 -5.7982 -5.7982 -0.5891 -0.5891 -0.3094 -0.3094 0.8278 0.8278 1.1815 1.1815 1.8398 1.8398 2.1382 2.1382 2.5601 2.5601 2.9923 2.9923 3.3791 3.3791 3.5187 3.5187 3.6959 3.6959 3.9683 3.9683 6.5022 6.5022 7.0058 7.0058 7.7834 7.7834 7.9265 7.9265 8.0239 8.0239 k = 0.3394 0.5944 0.2600 ( 14487 PWs) bands (ev): -47.8732 -47.8732 -47.8718 -47.8718 -19.9152 -19.9152 -19.9049 -19.9049 -19.7468 -19.7468 -19.7325 -19.7325 -19.7176 -19.7176 -19.7143 -19.7143 -6.5993 -6.5993 -6.2762 -6.2762 -5.9534 -5.9534 -5.7832 -5.7832 -0.5983 -0.5983 -0.2779 -0.2779 0.8029 0.8029 1.1616 1.1616 1.8840 1.8840 2.1354 2.1354 2.5496 2.5496 2.9878 2.9878 3.3770 3.3770 3.5049 3.5049 3.6903 3.6903 3.9330 3.9330 6.5025 6.5025 6.9797 6.9797 7.7906 7.7906 7.9482 7.9482 7.9910 7.9910 k = 0.3341 0.5852 0.2786 ( 14486 PWs) bands (ev): -47.8731 -47.8731 -47.8718 -47.8718 -19.9149 -19.9149 -19.9051 -19.9051 -19.7465 -19.7465 -19.7329 -19.7329 -19.7175 -19.7175 -19.7144 -19.7144 -6.6030 -6.6030 -6.2888 -6.2888 -5.9471 -5.9471 -5.7702 -5.7702 -0.6050 -0.6050 -0.2503 -0.2503 0.7846 0.7846 1.1412 1.1412 1.9280 1.9280 2.1263 2.1263 2.5455 2.5455 2.9854 2.9854 3.3724 3.3724 3.4901 3.4901 3.6805 3.6805 3.8994 3.8994 6.5061 6.5061 6.9548 6.9548 7.7748 7.7748 7.9159 7.9159 7.9827 7.9827 k = 0.3289 0.5760 0.2972 ( 14482 PWs) bands (ev): -47.8731 -47.8731 -47.8718 -47.8718 -19.9145 -19.9145 -19.9053 -19.9053 -19.7461 -19.7461 -19.7333 -19.7333 -19.7174 -19.7174 -19.7145 -19.7145 -6.6055 -6.6055 -6.3010 -6.3010 -5.9405 -5.9405 -5.7593 -5.7593 -0.6089 -0.6089 -0.2274 -0.2274 0.7730 0.7730 1.1207 1.1207 1.9646 1.9646 2.1198 2.1198 2.5460 2.5460 2.9851 2.9851 3.3648 3.3648 3.4752 3.4752 3.6672 3.6672 3.8679 3.8679 6.5137 6.5137 6.9323 6.9323 7.7162 7.7162 7.9055 7.9055 7.9835 7.9835 k = 0.3236 0.5668 0.3157 ( 14478 PWs) bands (ev): -47.8730 -47.8730 -47.8719 -47.8719 -19.9142 -19.9142 -19.9056 -19.9056 -19.7457 -19.7457 -19.7338 -19.7338 -19.7173 -19.7173 -19.7146 -19.7146 -6.6069 -6.6069 -6.3129 -6.3129 -5.9338 -5.9338 -5.7507 -5.7507 -0.6095 -0.6095 -0.2097 -0.2097 0.7677 0.7677 1.1003 1.1003 1.9797 1.9797 2.1322 2.1322 2.5483 2.5483 2.9868 2.9868 3.3540 3.3540 3.4609 3.4609 3.6511 3.6511 3.8386 3.8386 6.5254 6.5254 6.9130 6.9130 7.6354 7.6354 7.9198 7.9198 7.9760 7.9760 k = 0.3184 0.5576 0.3343 ( 14483 PWs) bands (ev): -47.8730 -47.8730 -47.8719 -47.8719 -19.9139 -19.9139 -19.9059 -19.9059 -19.7454 -19.7454 -19.7342 -19.7342 -19.7172 -19.7172 -19.7147 -19.7147 -6.6069 -6.6069 -6.3245 -6.3245 -5.9268 -5.9268 -5.7443 -5.7443 -0.6069 -0.6069 -0.1975 -0.1975 0.7682 0.7682 1.0801 1.0801 1.9691 1.9691 2.1702 2.1702 2.5497 2.5497 2.9905 2.9905 3.3399 3.3399 3.4479 3.4479 3.6332 3.6332 3.8116 3.8116 6.5411 6.5411 6.8979 6.8979 7.5502 7.5502 7.9390 7.9390 7.9659 7.9659 k = 0.3131 0.5484 0.3529 ( 14477 PWs) bands (ev): -47.8730 -47.8730 -47.8719 -47.8719 -19.9136 -19.9136 -19.9061 -19.9061 -19.7450 -19.7450 -19.7346 -19.7346 -19.7171 -19.7171 -19.7148 -19.7148 -6.6057 -6.6057 -6.3359 -6.3359 -5.9197 -5.9197 -5.7403 -5.7403 -0.6007 -0.6007 -0.1906 -0.1906 0.7735 0.7735 1.0602 1.0602 1.9458 1.9458 2.2229 2.2229 2.5481 2.5481 2.9959 2.9959 3.3231 3.3231 3.4365 3.4365 3.6143 3.6143 3.7865 3.7865 6.5603 6.5603 6.8878 6.8878 7.4660 7.4660 7.9308 7.9308 7.9822 7.9822 k = 0.3078 0.5392 0.3715 ( 14469 PWs) bands (ev): -47.8729 -47.8729 -47.8720 -47.8720 -19.9132 -19.9132 -19.9064 -19.9064 -19.7446 -19.7446 -19.7351 -19.7351 -19.7170 -19.7170 -19.7148 -19.7148 -6.6031 -6.6031 -6.3470 -6.3470 -5.9123 -5.9123 -5.7385 -5.7385 -0.5911 -0.5911 -0.1887 -0.1887 0.7821 0.7821 1.0407 1.0407 1.9202 1.9202 2.2815 2.2815 2.5424 2.5424 3.0026 3.0026 3.3044 3.3044 3.4267 3.4267 3.5953 3.5953 3.7631 3.7631 6.5825 6.5825 6.8835 6.8835 7.3847 7.3847 7.9048 7.9048 8.0147 8.0147 k = 0.3026 0.5299 0.3900 ( 14474 PWs) bands (ev): -47.8729 -47.8729 -47.8720 -47.8720 -19.9129 -19.9129 -19.9067 -19.9067 -19.7442 -19.7442 -19.7355 -19.7355 -19.7169 -19.7169 -19.7149 -19.7149 -6.5992 -6.5992 -6.3581 -6.3581 -5.9047 -5.9047 -5.7390 -5.7390 -0.5780 -0.5780 -0.1913 -0.1913 0.7927 0.7927 1.0217 1.0217 1.8971 1.8971 2.3410 2.3410 2.5333 2.5333 3.0097 3.0097 3.2852 3.2852 3.4184 3.4184 3.5767 3.5767 3.7415 3.7415 6.6072 6.6072 6.8856 6.8856 7.3074 7.3074 7.8724 7.8724 8.0518 8.0518 k = 0.2973 0.5207 0.4086 ( 14473 PWs) bands (ev): -47.8728 -47.8728 -47.8721 -47.8721 -19.9126 -19.9126 -19.9069 -19.9069 -19.7438 -19.7438 -19.7360 -19.7360 -19.7168 -19.7168 -19.7150 -19.7150 -6.5939 -6.5939 -6.3692 -6.3692 -5.8969 -5.8969 -5.7415 -5.7415 -0.5617 -0.5617 -0.1977 -0.1977 0.8037 0.8037 1.0031 1.0031 1.8797 1.8797 2.3940 2.3940 2.5262 2.5262 3.0160 3.0160 3.2668 3.2668 3.4113 3.4113 3.5588 3.5588 3.7214 3.7214 6.6337 6.6337 6.8947 6.8947 7.2347 7.2347 7.8342 7.8342 8.0922 8.0922 k = 0.2921 0.5115 0.4272 ( 14473 PWs) bands (ev): -47.8728 -47.8728 -47.8721 -47.8721 -19.9122 -19.9122 -19.9072 -19.9072 -19.7434 -19.7434 -19.7364 -19.7364 -19.7167 -19.7167 -19.7151 -19.7151 -6.5872 -6.5872 -6.3803 -6.3803 -5.8889 -5.8889 -5.7459 -5.7459 -0.5425 -0.5425 -0.2073 -0.2073 0.8137 0.8137 0.9850 0.9850 1.8698 1.8698 2.4210 2.4210 2.5395 2.5395 3.0198 3.0198 3.2510 3.2510 3.4047 3.4047 3.5424 3.5424 3.7030 3.7030 6.6614 6.6614 6.9109 6.9109 7.1672 7.1672 7.7899 7.7899 8.1354 8.1354 k = 0.2868 0.5023 0.4457 ( 14462 PWs) bands (ev): -47.8728 -47.8728 -47.8722 -47.8722 -19.9119 -19.9119 -19.9075 -19.9075 -19.7430 -19.7430 -19.7368 -19.7368 -19.7166 -19.7166 -19.7152 -19.7152 -6.5792 -6.5792 -6.3916 -6.3916 -5.8807 -5.8807 -5.7521 -5.7521 -0.5207 -0.5207 -0.2196 -0.2196 0.8218 0.8218 0.9674 0.9674 1.8687 1.8687 2.4102 2.4102 2.5847 2.5847 3.0196 3.0196 3.2393 3.2393 3.3974 3.3974 3.5285 3.5285 3.6860 3.6860 6.6898 6.6898 6.9342 6.9342 7.1054 7.1054 7.7389 7.7389 8.1813 8.1813 k = 0.2815 0.4931 0.4643 ( 14460 PWs) bands (ev): -47.8727 -47.8727 -47.8722 -47.8722 -19.9116 -19.9116 -19.9078 -19.9078 -19.7425 -19.7425 -19.7373 -19.7373 -19.7165 -19.7165 -19.7153 -19.7153 -6.5699 -6.5699 -6.4032 -6.4032 -5.8723 -5.8723 -5.7597 -5.7597 -0.4967 -0.4967 -0.2340 -0.2340 0.8276 0.8276 0.9503 0.9503 1.8769 1.8769 2.3800 2.3800 2.6434 2.6434 3.0143 3.0143 3.2326 3.2326 3.3878 3.3878 3.5187 3.5187 3.6702 3.6702 6.7186 6.7186 6.9639 6.9639 7.0502 7.0502 7.6808 7.6808 8.2298 8.2298 k = 0.2763 0.4839 0.4829 ( 14464 PWs) bands (ev): -47.8727 -47.8727 -47.8722 -47.8722 -19.9113 -19.9113 -19.9081 -19.9081 -19.7421 -19.7421 -19.7377 -19.7377 -19.7164 -19.7164 -19.7154 -19.7154 -6.5592 -6.5592 -6.4153 -6.4153 -5.8637 -5.8637 -5.7684 -5.7684 -0.4712 -0.4712 -0.2500 -0.2500 0.8313 0.8313 0.9337 0.9337 1.8945 1.8945 2.3409 2.3409 2.7044 2.7044 3.0041 3.0041 3.2308 3.2308 3.3744 3.3744 3.5148 3.5148 3.6551 3.6551 6.7474 6.7474 6.9881 6.9881 7.0133 7.0133 7.6159 7.6159 8.2807 8.2807 k = 0.2710 0.4747 0.5015 ( 14455 PWs) bands (ev): -47.8726 -47.8726 -47.8723 -47.8723 -19.9109 -19.9109 -19.9084 -19.9084 -19.7417 -19.7417 -19.7382 -19.7382 -19.7163 -19.7163 -19.7155 -19.7155 -6.5473 -6.5473 -6.4280 -6.4280 -5.8549 -5.8549 -5.7781 -5.7781 -0.4448 -0.4448 -0.2673 -0.2673 0.8338 0.8338 0.9176 0.9176 1.9209 1.9209 2.2968 2.2968 2.7636 2.7636 2.9901 2.9901 3.2330 3.2330 3.3573 3.3573 3.5170 3.5170 3.6403 3.6403 6.7758 6.7758 6.9541 6.9541 7.0471 7.0471 7.5454 7.5454 8.3339 8.3339 k = 0.2658 0.4655 0.5200 ( 14469 PWs) bands (ev): -47.8726 -47.8726 -47.8723 -47.8723 -19.9106 -19.9106 -19.9087 -19.9087 -19.7413 -19.7413 -19.7386 -19.7386 -19.7162 -19.7162 -19.7156 -19.7156 -6.5341 -6.5341 -6.4414 -6.4414 -5.8459 -5.8459 -5.7882 -5.7882 -0.4184 -0.4184 -0.2858 -0.2858 0.8363 0.8363 0.9021 0.9021 1.9552 1.9552 2.2491 2.2491 2.8179 2.8179 2.9739 2.9739 3.2384 3.2384 3.3373 3.3373 3.5250 3.5250 3.6252 3.6252 6.8027 6.8027 6.9193 6.9193 7.0940 7.0940 7.4715 7.4715 8.3893 8.3893 k = 0.2605 0.4563 0.5386 ( 14458 PWs) bands (ev): -47.8725 -47.8725 -47.8724 -47.8724 -19.9103 -19.9103 -19.9090 -19.9090 -19.7408 -19.7408 -19.7391 -19.7391 -19.7161 -19.7161 -19.7157 -19.7157 -6.5197 -6.5197 -6.4557 -6.4557 -5.8368 -5.8368 -5.7986 -5.7986 -0.3925 -0.3925 -0.3051 -0.3051 0.8402 0.8402 0.8870 0.8870 1.9963 1.9963 2.1989 2.1989 2.8647 2.8647 2.9568 2.9568 3.2469 3.2469 3.3162 3.3162 3.5374 3.5374 3.6092 3.6092 6.8270 6.8270 6.8915 6.8915 7.1458 7.1458 7.3970 7.3970 8.4468 8.4468 k = 0.2553 0.4471 0.5572 ( 14462 PWs) bands (ev): -47.8725 -47.8725 -47.8724 -47.8724 -19.9100 -19.9100 -19.9093 -19.9093 -19.7404 -19.7404 -19.7395 -19.7395 -19.7160 -19.7160 -19.7158 -19.7158 -6.5042 -6.5042 -6.4711 -6.4711 -5.8276 -5.8276 -5.8088 -5.8088 -0.3682 -0.3682 -0.3251 -0.3251 0.8471 0.8471 0.8724 0.8724 2.0431 2.0431 2.1471 2.1471 2.9008 2.9008 2.9398 2.9398 3.2591 3.2591 3.2955 3.2955 3.5534 3.5534 3.5917 3.5917 6.8465 6.8465 6.8714 6.8714 7.2015 7.2015 7.3254 7.3254 8.5061 8.5061 k = 0.2500 0.4379 0.5758 ( 14452 PWs) bands (ev): -47.8725 -47.8725 -47.8725 -47.8725 -19.9096 -19.9096 -19.9096 -19.9096 -19.7400 -19.7400 -19.7400 -19.7400 -19.7159 -19.7159 -19.7159 -19.7159 -6.4878 -6.4878 -6.4874 -6.4874 -5.8186 -5.8186 -5.8182 -5.8182 -0.3459 -0.3459 -0.3458 -0.3458 0.8583 0.8583 0.8584 0.8584 2.0943 2.0943 2.0944 2.0944 2.9234 2.9234 2.9237 2.9237 3.2757 3.2757 3.2759 3.2759 3.5723 3.5723 3.5725 3.5725 6.8591 6.8591 6.8592 6.8592 7.2605 7.2605 7.2606 7.2606 8.5672 8.5672 k = 0.2500 0.4379 0.5758 ( 14452 PWs) bands (ev): -47.8725 -47.8725 -47.8725 -47.8725 -19.9096 -19.9096 -19.9096 -19.9096 -19.7400 -19.7400 -19.7400 -19.7400 -19.7159 -19.7159 -19.7159 -19.7159 -6.4878 -6.4878 -6.4874 -6.4874 -5.8186 -5.8186 -5.8182 -5.8182 -0.3459 -0.3459 -0.3458 -0.3458 0.8583 0.8583 0.8584 0.8584 2.0943 2.0943 2.0944 2.0944 2.9234 2.9234 2.9237 2.9237 3.2757 3.2757 3.2759 3.2759 3.5723 3.5723 3.5725 3.5725 6.8591 6.8591 6.8592 6.8592 7.2605 7.2605 7.2606 7.2606 8.5672 8.5673 k = 0.2368 0.4454 0.5606 ( 14460 PWs) bands (ev): -47.8725 -47.8725 -47.8725 -47.8725 -19.9096 -19.9096 -19.9096 -19.9096 -19.7400 -19.7400 -19.7400 -19.7400 -19.7159 -19.7159 -19.7159 -19.7159 -6.4879 -6.4879 -6.4876 -6.4876 -5.8183 -5.8183 -5.8179 -5.8179 -0.3474 -0.3474 -0.3468 -0.3468 0.8598 0.8598 0.8599 0.8599 2.0939 2.0939 2.0966 2.0966 2.9192 2.9192 2.9205 2.9205 3.2753 3.2753 3.2802 3.2802 3.5673 3.5673 3.5782 3.5782 6.8534 6.8534 6.8612 6.8612 7.2544 7.2544 7.2735 7.2735 8.5631 8.5631 k = 0.2237 0.4529 0.5455 ( 14462 PWs) bands (ev): -47.8725 -47.8725 -47.8725 -47.8725 -19.9096 -19.9096 -19.9096 -19.9096 -19.7400 -19.7400 -19.7400 -19.7400 -19.7159 -19.7159 -19.7159 -19.7159 -6.4885 -6.4885 -6.4881 -6.4881 -5.8175 -5.8175 -5.8171 -5.8171 -0.3513 -0.3513 -0.3502 -0.3502 0.8642 0.8642 0.8644 0.8644 2.0954 2.0954 2.1008 2.1008 2.9079 2.9079 2.9105 2.9105 3.2782 3.2782 3.2874 3.2874 3.5633 3.5633 3.5847 3.5847 6.8452 6.8452 6.8594 6.8594 7.2553 7.2553 7.2919 7.2919 8.5537 8.5537 k = 0.2105 0.4604 0.5303 ( 14466 PWs) bands (ev): -47.8725 -47.8725 -47.8725 -47.8725 -19.9096 -19.9096 -19.9096 -19.9096 -19.7400 -19.7400 -19.7400 -19.7400 -19.7159 -19.7159 -19.7159 -19.7159 -6.4893 -6.4893 -6.4890 -6.4890 -5.8162 -5.8162 -5.8158 -5.8158 -0.3574 -0.3574 -0.3558 -0.3558 0.8715 0.8715 0.8717 0.8717 2.0988 2.0988 2.1067 2.1067 2.8909 2.8909 2.8951 2.8951 3.2831 3.2831 3.2955 3.2955 3.5613 3.5613 3.5919 3.5919 6.8357 6.8357 6.8545 6.8545 7.2625 7.2625 7.3139 7.3139 8.5441 8.5441 k = 0.1974 0.4679 0.5152 ( 14458 PWs) bands (ev): -47.8725 -47.8725 -47.8725 -47.8725 -19.9096 -19.9096 -19.9096 -19.9096 -19.7400 -19.7400 -19.7400 -19.7400 -19.7159 -19.7159 -19.7159 -19.7159 -6.4905 -6.4905 -6.4902 -6.4902 -5.8144 -5.8144 -5.8140 -5.8140 -0.3655 -0.3655 -0.3635 -0.3635 0.8812 0.8812 0.8814 0.8814 2.1042 2.1042 2.1144 2.1144 2.8698 2.8698 2.8757 2.8757 3.2879 3.2879 3.3018 3.3018 3.5623 3.5623 3.6004 3.6004 6.8266 6.8266 6.8479 6.8479 7.2746 7.2746 7.3376 7.3376 8.5389 8.5389 k = 0.1842 0.4754 0.5000 ( 14452 PWs) bands (ev): -47.8725 -47.8725 -47.8725 -47.8725 -19.9096 -19.9096 -19.9096 -19.9096 -19.7400 -19.7400 -19.7400 -19.7400 -19.7159 -19.7159 -19.7159 -19.7159 -6.4919 -6.4919 -6.4916 -6.4916 -5.8122 -5.8122 -5.8117 -5.8117 -0.3754 -0.3754 -0.3730 -0.3730 0.8931 0.8931 0.8932 0.8932 2.1114 2.1114 2.1237 2.1237 2.8461 2.8461 2.8540 2.8540 3.2908 3.2908 3.3039 3.3039 3.5674 3.5674 3.6103 3.6103 6.8189 6.8189 6.8411 6.8411 7.2901 7.2901 7.3615 7.3615 8.5410 8.5410 k = 0.1711 0.4829 0.4849 ( 14460 PWs) bands (ev): -47.8725 -47.8725 -47.8725 -47.8725 -19.9096 -19.9096 -19.9096 -19.9096 -19.7400 -19.7400 -19.7400 -19.7400 -19.7159 -19.7159 -19.7159 -19.7159 -6.4936 -6.4936 -6.4933 -6.4933 -5.8096 -5.8096 -5.8092 -5.8092 -0.3865 -0.3865 -0.3839 -0.3839 0.9066 0.9066 0.9068 0.9068 2.1205 2.1205 2.1345 2.1345 2.8211 2.8211 2.8313 2.8313 3.2903 3.2903 3.3002 3.3002 3.5771 3.5771 3.6220 3.6220 6.8135 6.8135 6.8353 6.8353 7.3077 7.3077 7.3846 7.3846 8.5519 8.5519 k = 0.1579 0.4904 0.4697 ( 14464 PWs) bands (ev): -47.8725 -47.8725 -47.8725 -47.8725 -19.9096 -19.9096 -19.9096 -19.9096 -19.7400 -19.7400 -19.7400 -19.7400 -19.7159 -19.7159 -19.7159 -19.7159 -6.4954 -6.4954 -6.4951 -6.4951 -5.8068 -5.8068 -5.8063 -5.8063 -0.3987 -0.3987 -0.3959 -0.3959 0.9214 0.9214 0.9216 0.9216 2.1315 2.1315 2.1468 2.1468 2.7961 2.7961 2.8086 2.8086 3.2856 3.2856 3.2904 3.2904 3.5910 3.5910 3.6354 3.6354 6.8107 6.8107 6.8312 6.8312 7.3269 7.3269 7.4066 7.4066 8.5718 8.5718 k = 0.1447 0.4980 0.4545 ( 14466 PWs) bands (ev): -47.8725 -47.8725 -47.8725 -47.8725 -19.9096 -19.9096 -19.9096 -19.9096 -19.7400 -19.7400 -19.7400 -19.7400 -19.7159 -19.7159 -19.7159 -19.7159 -6.4974 -6.4974 -6.4970 -6.4970 -5.8037 -5.8037 -5.8032 -5.8032 -0.4114 -0.4114 -0.4085 -0.4085 0.9369 0.9369 0.9372 0.9372 2.1441 2.1441 2.1603 2.1603 2.7718 2.7718 2.7866 2.7866 3.2748 3.2748 3.2762 3.2762 3.6082 3.6082 3.6502 3.6502 6.8106 6.8106 6.8291 6.8291 7.3479 7.3479 7.4278 7.4278 8.6003 8.6003 k = 0.1316 0.5055 0.4394 ( 14462 PWs) bands (ev): -47.8725 -47.8725 -47.8725 -47.8725 -19.9096 -19.9096 -19.9096 -19.9096 -19.7400 -19.7400 -19.7400 -19.7400 -19.7159 -19.7159 -19.7159 -19.7159 -6.4994 -6.4994 -6.4991 -6.4991 -5.8005 -5.8005 -5.8001 -5.8001 -0.4243 -0.4243 -0.4214 -0.4214 0.9526 0.9526 0.9530 0.9530 2.1581 2.1581 2.1747 2.1747 2.7489 2.7489 2.7662 2.7662 3.2546 3.2546 3.2624 3.2624 3.6273 3.6273 3.6659 3.6659 6.8128 6.8128 6.8290 6.8290 7.3711 7.3711 7.4493 7.4493 8.6360 8.6360 k = 0.1184 0.5130 0.4242 ( 14466 PWs) bands (ev): -47.8725 -47.8725 -47.8725 -47.8725 -19.9096 -19.9096 -19.9096 -19.9096 -19.7400 -19.7400 -19.7400 -19.7400 -19.7159 -19.7159 -19.7159 -19.7159 -6.5014 -6.5014 -6.5011 -6.5011 -5.7973 -5.7973 -5.7969 -5.7969 -0.4371 -0.4371 -0.4342 -0.4342 0.9682 0.9682 0.9687 0.9687 2.1733 2.1733 2.1897 2.1897 2.7280 2.7280 2.7478 2.7478 3.2308 3.2308 3.2447 3.2447 3.6472 3.6472 3.6819 3.6819 6.8167 6.8167 6.8304 6.8304 7.3974 7.3974 7.4721 7.4721 8.6739 8.6739 k = 0.1053 0.5205 0.4091 ( 14460 PWs) bands (ev): -47.8725 -47.8725 -47.8725 -47.8725 -19.9096 -19.9096 -19.9096 -19.9096 -19.7400 -19.7400 -19.7400 -19.7400 -19.7159 -19.7159 -19.7159 -19.7159 -6.5034 -6.5034 -6.5031 -6.5031 -5.7942 -5.7942 -5.7937 -5.7937 -0.4494 -0.4494 -0.4467 -0.4467 0.9832 0.9832 0.9839 0.9839 2.1894 2.1894 2.2050 2.2050 2.7097 2.7097 2.7317 2.7317 3.2047 3.2047 3.2237 3.2237 3.6670 3.6670 3.6975 3.6975 6.8216 6.8216 6.8328 6.8328 7.4277 7.4277 7.4976 7.4976 8.7121 8.7121 k = 0.0921 0.5280 0.3939 ( 14464 PWs) bands (ev): -47.8725 -47.8725 -47.8725 -47.8725 -19.9096 -19.9096 -19.9096 -19.9096 -19.7400 -19.7400 -19.7400 -19.7400 -19.7159 -19.7159 -19.7159 -19.7159 -6.5053 -6.5053 -6.5050 -6.5050 -5.7912 -5.7912 -5.7907 -5.7907 -0.4610 -0.4610 -0.4584 -0.4584 0.9973 0.9973 0.9980 0.9980 2.2057 2.2057 2.2200 2.2200 2.6944 2.6944 2.7183 2.7183 3.1774 3.1774 3.2004 3.2004 3.6859 3.6859 3.7123 3.7123 6.8268 6.8268 6.8355 6.8355 7.4626 7.4626 7.5267 7.5267 8.7483 8.7483 k = 0.0789 0.5355 0.3788 ( 14472 PWs) bands (ev): -47.8725 -47.8725 -47.8725 -47.8725 -19.9096 -19.9096 -19.9096 -19.9096 -19.7400 -19.7400 -19.7400 -19.7400 -19.7159 -19.7159 -19.7159 -19.7159 -6.5071 -6.5071 -6.5068 -6.5068 -5.7884 -5.7884 -5.7880 -5.7880 -0.4715 -0.4715 -0.4692 -0.4692 1.0101 1.0101 1.0108 1.0108 2.2217 2.2217 2.2342 2.2342 2.6825 2.6825 2.7076 2.7076 3.1502 3.1502 3.1756 3.1756 3.7033 3.7033 3.7257 3.7257 6.8317 6.8317 6.8381 6.8381 7.5022 7.5022 7.5597 7.5597 8.7765 8.7765 k = 0.0658 0.5430 0.3636 ( 14490 PWs) bands (ev): -47.8725 -47.8725 -47.8725 -47.8725 -19.9097 -19.9097 -19.9097 -19.9097 -19.7400 -19.7400 -19.7400 -19.7400 -19.7160 -19.7160 -19.7160 -19.7160 -6.5086 -6.5086 -6.5083 -6.5083 -5.7859 -5.7859 -5.7855 -5.7855 -0.4807 -0.4807 -0.4787 -0.4787 1.0215 1.0215 1.0221 1.0221 2.2368 2.2368 2.2472 2.2472 2.6741 2.6741 2.6995 2.6995 3.1244 3.1244 3.1505 3.1505 3.7189 3.7189 3.7374 3.7374 6.8357 6.8357 6.8402 6.8402 7.5458 7.5458 7.5961 7.5961 8.7869 8.7869 k = 0.0526 0.5505 0.3485 ( 14490 PWs) bands (ev): -47.8725 -47.8725 -47.8725 -47.8725 -19.9097 -19.9097 -19.9097 -19.9097 -19.7400 -19.7400 -19.7400 -19.7400 -19.7160 -19.7160 -19.7160 -19.7160 -6.5100 -6.5100 -6.5097 -6.5097 -5.7838 -5.7838 -5.7834 -5.7834 -0.4885 -0.4885 -0.4869 -0.4869 1.0310 1.0310 1.0316 1.0316 2.2503 2.2503 2.2584 2.2584 2.6693 2.6693 2.6934 2.6934 3.1013 3.1013 3.1262 3.1262 3.7323 3.7323 3.7470 3.7470 6.8389 6.8389 6.8418 6.8418 7.5918 7.5918 7.6341 7.6341 8.7688 8.7688 k = 0.0395 0.5581 0.3333 ( 14480 PWs) bands (ev): -47.8725 -47.8725 -47.8725 -47.8725 -19.9097 -19.9097 -19.9097 -19.9097 -19.7400 -19.7400 -19.7400 -19.7400 -19.7160 -19.7160 -19.7160 -19.7160 -6.5110 -6.5110 -6.5107 -6.5107 -5.7821 -5.7821 -5.7817 -5.7817 -0.4947 -0.4947 -0.4934 -0.4934 1.0386 1.0386 1.0391 1.0391 2.2615 2.2615 2.2673 2.2673 2.6679 2.6679 2.6888 2.6888 3.0824 3.0824 3.1039 3.1039 3.7434 3.7434 3.7543 3.7543 6.8411 6.8411 6.8428 6.8428 7.6372 7.6372 7.6707 7.6707 8.7260 8.7260 k = 0.0263 0.5656 0.3182 ( 14488 PWs) bands (ev): -47.8725 -47.8725 -47.8725 -47.8725 -19.9097 -19.9097 -19.9097 -19.9097 -19.7400 -19.7400 -19.7400 -19.7400 -19.7160 -19.7160 -19.7160 -19.7160 -6.5118 -6.5118 -6.5115 -6.5115 -5.7808 -5.7808 -5.7804 -5.7804 -0.4991 -0.4991 -0.4982 -0.4982 1.0442 1.0442 1.0446 1.0446 2.2701 2.2701 2.2738 2.2738 2.6692 2.6692 2.6848 2.6848 3.0692 3.0692 3.0851 3.0851 3.7519 3.7519 3.7591 3.7591 6.8425 6.8425 6.8434 6.8434 7.6778 7.6778 7.7013 7.7013 8.6781 8.6783 k = 0.0132 0.5731 0.3030 ( 14490 PWs) bands (ev): -47.8725 -47.8725 -47.8725 -47.8725 -19.9097 -19.9097 -19.9097 -19.9097 -19.7400 -19.7400 -19.7400 -19.7400 -19.7160 -19.7160 -19.7160 -19.7160 -6.5123 -6.5123 -6.5120 -6.5120 -5.7800 -5.7800 -5.7797 -5.7797 -0.5017 -0.5017 -0.5013 -0.5013 1.0476 1.0476 1.0478 1.0478 2.2756 2.2756 2.2774 2.2774 2.6724 2.6724 2.6808 2.6808 3.0628 3.0628 3.0712 3.0712 3.7577 3.7577 3.7613 3.7613 6.8432 6.8432 6.8437 6.8437 7.7081 7.7081 7.7204 7.7204 8.6405 8.6408 k = 0.0000 0.5806 0.2879 ( 14482 PWs) bands (ev): -47.8725 -47.8725 -47.8725 -47.8725 -19.9097 -19.9097 -19.9097 -19.9097 -19.7400 -19.7400 -19.7400 -19.7400 -19.7160 -19.7160 -19.7160 -19.7160 -6.5125 -6.5125 -6.5122 -6.5122 -5.7798 -5.7798 -5.7794 -5.7794 -0.5025 -0.5025 -0.5024 -0.5024 1.0488 1.0488 1.0488 1.0488 2.2780 2.2780 2.2781 2.2781 2.6764 2.6764 2.6766 2.6766 3.0634 3.0634 3.0636 3.0636 3.7609 3.7609 3.7609 3.7609 6.8435 6.8435 6.8437 6.8437 7.7232 7.7232 7.7233 7.7233 8.6271 8.6271 k = 0.0000 0.5806 0.2879 ( 14482 PWs) bands (ev): -47.8725 -47.8725 -47.8725 -47.8725 -19.9097 -19.9097 -19.9097 -19.9097 -19.7400 -19.7400 -19.7400 -19.7400 -19.7160 -19.7160 -19.7160 -19.7160 -6.5125 -6.5125 -6.5122 -6.5122 -5.7798 -5.7798 -5.7794 -5.7794 -0.5025 -0.5025 -0.5024 -0.5024 1.0488 1.0488 1.0488 1.0488 2.2780 2.2780 2.2781 2.2781 2.6764 2.6764 2.6766 2.6766 3.0634 3.0634 3.0636 3.0636 3.7609 3.7609 3.7609 3.7609 6.8435 6.8435 6.8437 6.8437 7.7232 7.7232 7.7233 7.7233 8.6271 8.6271 k =-0.0165 0.5749 0.2994 ( 14486 PWs) bands (ev): -47.8725 -47.8725 -47.8724 -47.8724 -19.9101 -19.9101 -19.9093 -19.9093 -19.7405 -19.7405 -19.7394 -19.7394 -19.7161 -19.7161 -19.7158 -19.7158 -6.5206 -6.5206 -6.5030 -6.5030 -5.7838 -5.7838 -5.7767 -5.7767 -0.5286 -0.5286 -0.4738 -0.4738 1.0125 1.0125 1.0821 1.0821 2.2506 2.2506 2.3019 2.3019 2.6207 2.6207 2.7344 2.7344 3.0493 3.0493 3.0843 3.0843 3.7486 3.7486 3.7743 3.7743 6.8346 6.8346 6.8505 6.8505 7.7259 7.7259 7.7288 7.7288 8.5982 8.5982 k =-0.0330 0.5692 0.3109 ( 14493 PWs) bands (ev): -47.8726 -47.8726 -47.8724 -47.8724 -19.9105 -19.9105 -19.9089 -19.9089 -19.7411 -19.7411 -19.7389 -19.7389 -19.7162 -19.7162 -19.7157 -19.7157 -6.5278 -6.5278 -6.4927 -6.4927 -5.7893 -5.7893 -5.7753 -5.7753 -0.5520 -0.5520 -0.4433 -0.4433 0.9735 0.9735 1.1118 1.1118 2.2210 2.2210 2.3188 2.3188 2.5718 2.5718 2.7905 2.7905 3.0432 3.0432 3.1107 3.1107 3.7374 3.7374 3.7887 3.7887 6.8237 6.8237 6.8550 6.8550 7.7365 7.7365 7.7424 7.7424 8.5546 8.5546 k =-0.0496 0.5635 0.3224 ( 14490 PWs) bands (ev): -47.8726 -47.8726 -47.8723 -47.8723 -19.9109 -19.9109 -19.9085 -19.9085 -19.7416 -19.7416 -19.7383 -19.7383 -19.7163 -19.7163 -19.7156 -19.7156 -6.5339 -6.5339 -6.4814 -6.4814 -5.7960 -5.7960 -5.7753 -5.7753 -0.5723 -0.5723 -0.4115 -0.4115 0.9328 0.9328 1.1378 1.1378 2.1898 2.1898 2.3223 2.3223 2.5373 2.5373 2.8410 2.8410 3.0474 3.0474 3.1420 3.1420 3.7277 3.7277 3.8042 3.8042 6.8114 6.8114 6.8571 6.8571 7.7547 7.7547 7.7637 7.7637 8.4967 8.4967 k =-0.0661 0.5578 0.3339 ( 14481 PWs) bands (ev): -47.8727 -47.8727 -47.8722 -47.8722 -19.9113 -19.9113 -19.9081 -19.9081 -19.7421 -19.7421 -19.7378 -19.7378 -19.7165 -19.7165 -19.7154 -19.7154 -6.5391 -6.5391 -6.4690 -6.4690 -5.8038 -5.8038 -5.7769 -5.7769 -0.5893 -0.5893 -0.3793 -0.3793 0.8915 0.8915 1.1603 1.1603 2.1571 2.1571 2.3064 2.3064 2.5242 2.5242 2.8817 2.8817 3.0645 3.0645 3.1773 3.1773 3.7195 3.7195 3.8209 3.8209 6.7984 6.7984 6.8572 6.8572 7.7796 7.7796 7.7921 7.7921 8.4276 8.4276 k =-0.0826 0.5521 0.3455 ( 14481 PWs) bands (ev): -47.8727 -47.8727 -47.8722 -47.8722 -19.9117 -19.9117 -19.9077 -19.9077 -19.7427 -19.7427 -19.7372 -19.7372 -19.7166 -19.7166 -19.7153 -19.7153 -6.5432 -6.5432 -6.4557 -6.4557 -5.8125 -5.8125 -5.7800 -5.7800 -0.6028 -0.6028 -0.3479 -0.3479 0.8512 0.8512 1.1795 1.1795 2.1223 2.1223 2.2740 2.2740 2.5304 2.5304 2.9108 2.9108 3.0948 3.0948 3.2158 3.2158 3.7130 3.7130 3.8387 3.8387 6.7850 6.7850 6.8556 6.8556 7.8100 7.8100 7.8266 7.8266 8.3522 8.3522 k =-0.0991 0.5463 0.3570 ( 14467 PWs) bands (ev): -47.8728 -47.8728 -47.8721 -47.8721 -19.9121 -19.9121 -19.9074 -19.9074 -19.7432 -19.7432 -19.7366 -19.7366 -19.7167 -19.7167 -19.7152 -19.7152 -6.5463 -6.5463 -6.4414 -6.4414 -5.8220 -5.8220 -5.7847 -5.7847 -0.6128 -0.6128 -0.3185 -0.3185 0.8134 0.8134 1.1956 1.1956 2.0849 2.0849 2.2341 2.2341 2.5477 2.5477 2.9312 2.9312 3.1341 3.1341 3.2568 3.2568 3.7085 3.7085 3.8580 3.8580 6.7719 6.7719 6.8527 6.8527 7.8435 7.8435 7.8663 7.8663 8.2767 8.2767 k =-0.1156 0.5406 0.3685 ( 14470 PWs) bands (ev): -47.8728 -47.8728 -47.8721 -47.8721 -19.9125 -19.9125 -19.9070 -19.9070 -19.7437 -19.7437 -19.7361 -19.7361 -19.7168 -19.7168 -19.7151 -19.7151 -6.5485 -6.5485 -6.4262 -6.4262 -5.8324 -5.8324 -5.7910 -5.7910 -0.6192 -0.6192 -0.2927 -0.2927 0.7803 0.7803 1.2091 1.2091 2.0447 2.0447 2.1934 2.1934 2.5701 2.5701 2.9470 2.9470 3.1765 3.1765 3.2992 3.2992 3.7062 3.7062 3.8788 3.8788 6.7593 6.7593 6.8492 6.8492 7.8762 7.8762 7.9095 7.9095 8.2083 8.2083 k =-0.1322 0.5349 0.3800 ( 14486 PWs) bands (ev): -47.8729 -47.8729 -47.8720 -47.8720 -19.9129 -19.9129 -19.9067 -19.9067 -19.7442 -19.7442 -19.7355 -19.7355 -19.7169 -19.7169 -19.7150 -19.7150 -6.5497 -6.5497 -6.4101 -6.4101 -5.8433 -5.8433 -5.7988 -5.7988 -0.6221 -0.6221 -0.2725 -0.2725 0.7541 0.7541 1.2204 1.2204 2.0017 2.0017 2.1550 2.1550 2.5944 2.5944 2.9612 2.9612 3.2176 3.2176 3.3419 3.3419 3.7061 3.7061 3.9014 3.9014 6.7476 6.7476 6.8456 6.8456 7.8985 7.8985 7.9541 7.9541 8.1587 8.1587 k =-0.1487 0.5292 0.3915 ( 14484 PWs) bands (ev): -47.8729 -47.8729 -47.8720 -47.8720 -19.9133 -19.9133 -19.9063 -19.9063 -19.7447 -19.7447 -19.7350 -19.7350 -19.7170 -19.7170 -19.7149 -19.7149 -6.5500 -6.5500 -6.3932 -6.3932 -5.8548 -5.8548 -5.8082 -5.8082 -0.6215 -0.6215 -0.2598 -0.2598 0.7370 0.7370 1.2300 1.2300 1.9568 1.9568 2.1199 2.1199 2.6188 2.6188 2.9750 2.9750 3.2549 3.2549 3.3838 3.3838 3.7082 3.7082 3.9259 3.9259 6.7367 6.7367 6.8426 6.8426 7.8964 7.8964 7.9971 7.9971 8.1425 8.1425 k =-0.1652 0.5235 0.4030 ( 14494 PWs) bands (ev): -47.8730 -47.8730 -47.8719 -47.8719 -19.9137 -19.9137 -19.9060 -19.9060 -19.7452 -19.7452 -19.7345 -19.7345 -19.7172 -19.7172 -19.7148 -19.7148 -6.5496 -6.5496 -6.3754 -6.3754 -5.8666 -5.8666 -5.8189 -5.8189 -0.6175 -0.6175 -0.2561 -0.2561 0.7311 0.7311 1.2381 1.2381 1.9113 1.9113 2.0878 2.0878 2.6425 2.6425 2.9890 2.9890 3.2870 3.2870 3.4237 3.4237 3.7119 3.7119 3.9524 3.9524 6.7264 6.7264 6.8412 6.8412 7.8680 7.8680 8.0312 8.0312 8.1535 8.1535 k =-0.1817 0.5178 0.4145 ( 14486 PWs) bands (ev): -47.8730 -47.8730 -47.8719 -47.8719 -19.9141 -19.9141 -19.9057 -19.9057 -19.7456 -19.7456 -19.7339 -19.7339 -19.7173 -19.7173 -19.7146 -19.7146 -6.5483 -6.5483 -6.3569 -6.3569 -5.8788 -5.8788 -5.8309 -5.8309 -0.6103 -0.6103 -0.2626 -0.2626 0.7374 0.7374 1.2451 1.2451 1.8667 1.8667 2.0584 2.0584 2.6648 2.6648 3.0032 3.0032 3.3135 3.3135 3.4604 3.4604 3.7167 3.7167 3.9808 3.9808 6.7162 6.7162 6.8422 6.8422 7.8283 7.8283 8.0368 8.0368 8.1311 8.1311 k =-0.1982 0.5121 0.4261 ( 14482 PWs) bands (ev): -47.8731 -47.8731 -47.8718 -47.8718 -19.9145 -19.9145 -19.9054 -19.9054 -19.7461 -19.7461 -19.7334 -19.7334 -19.7174 -19.7174 -19.7145 -19.7145 -6.5464 -6.5464 -6.3377 -6.3377 -5.8911 -5.8911 -5.8442 -5.8442 -0.6000 -0.6000 -0.2791 -0.2791 0.7563 0.7563 1.2512 1.2512 1.8240 1.8240 2.0311 2.0311 2.6853 2.6853 3.0174 3.0174 3.3342 3.3342 3.4930 3.4930 3.7213 3.7213 4.0107 4.0107 6.7051 6.7051 6.8471 6.8471 7.7889 7.7889 7.9894 7.9894 8.0957 8.0957 k =-0.2148 0.5064 0.4376 ( 14480 PWs) bands (ev): -47.8731 -47.8731 -47.8718 -47.8718 -19.9149 -19.9149 -19.9051 -19.9051 -19.7465 -19.7465 -19.7328 -19.7328 -19.7175 -19.7175 -19.7144 -19.7144 -6.5439 -6.5439 -6.3179 -6.3179 -5.9035 -5.9035 -5.8586 -5.8586 -0.5869 -0.5869 -0.3050 -0.3050 0.7870 0.7870 1.2567 1.2567 1.7844 1.7844 2.0055 2.0055 2.7035 2.7035 3.0315 3.0315 3.3495 3.3495 3.5212 3.5212 3.7244 3.7244 4.0418 4.0418 6.6920 6.6920 6.8571 6.8571 7.7548 7.7548 7.9181 7.9181 8.0509 8.0509 k =-0.2313 0.5007 0.4491 ( 14486 PWs) bands (ev): -47.8732 -47.8732 -47.8718 -47.8718 -19.9153 -19.9153 -19.9048 -19.9048 -19.7469 -19.7469 -19.7323 -19.7323 -19.7176 -19.7176 -19.7143 -19.7143 -6.5408 -6.5408 -6.2975 -6.2975 -5.9159 -5.9159 -5.8738 -5.8738 -0.5712 -0.5712 -0.3388 -0.3388 0.8279 0.8279 1.2615 1.2615 1.7490 1.7490 1.9816 1.9816 2.7194 2.7194 3.0450 3.0450 3.3597 3.3597 3.5448 3.5448 3.7245 3.7245 4.0735 4.0735 6.6752 6.6752 6.8736 6.8736 7.7277 7.7277 7.8479 7.8479 7.9890 7.9890 k =-0.2478 0.4950 0.4606 ( 14486 PWs) bands (ev): -47.8732 -47.8732 -47.8717 -47.8717 -19.9156 -19.9156 -19.9045 -19.9045 -19.7473 -19.7473 -19.7319 -19.7319 -19.7177 -19.7177 -19.7142 -19.7142 -6.5375 -6.5375 -6.2766 -6.2766 -5.9282 -5.9282 -5.8898 -5.8898 -0.5532 -0.5532 -0.3788 -0.3788 0.8772 0.8772 1.2659 1.2659 1.7186 1.7186 1.9593 1.9593 2.7325 2.7325 3.0579 3.0579 3.3651 3.3651 3.5641 3.5641 3.7202 3.7202 4.1052 4.1052 6.6530 6.6530 6.8980 6.8980 7.7073 7.7073 7.7863 7.7863 7.9191 7.9191 k =-0.2643 0.4892 0.4721 ( 14483 PWs) bands (ev): -47.8733 -47.8733 -47.8717 -47.8717 -19.9160 -19.9160 -19.9042 -19.9042 -19.7477 -19.7477 -19.7314 -19.7314 -19.7178 -19.7178 -19.7141 -19.7141 -6.5339 -6.5339 -6.2553 -6.2553 -5.9402 -5.9402 -5.9062 -5.9062 -0.5332 -0.5332 -0.4234 -0.4234 0.9324 0.9324 1.2702 1.2702 1.6941 1.6941 1.9386 1.9386 2.7427 2.7427 3.0698 3.0698 3.3656 3.3656 3.5795 3.5795 3.7105 3.7105 4.1364 4.1364 6.6239 6.6239 6.9314 6.9314 7.6905 7.6905 7.7380 7.7380 7.8500 7.8500 k =-0.2808 0.4835 0.4836 ( 14472 PWs) bands (ev): -47.8733 -47.8733 -47.8716 -47.8716 -19.9163 -19.9163 -19.9040 -19.9040 -19.7481 -19.7481 -19.7309 -19.7309 -19.7179 -19.7179 -19.7140 -19.7140 -6.5303 -6.5303 -6.2337 -6.2337 -5.9520 -5.9520 -5.9229 -5.9229 -0.5114 -0.5114 -0.4709 -0.4709 0.9908 0.9908 1.2752 1.2752 1.6763 1.6763 1.9198 1.9198 2.7499 2.7499 3.0805 3.0805 3.3612 3.3612 3.5915 3.5915 3.6950 3.6950 4.1663 4.1663 6.5871 6.5871 6.9745 6.9745 7.6648 7.6648 7.7124 7.7124 7.7900 7.7900 k =-0.2974 0.4778 0.4952 ( 14486 PWs) bands (ev): -47.8733 -47.8733 -47.8716 -47.8716 -19.9167 -19.9167 -19.9037 -19.9037 -19.7485 -19.7485 -19.7304 -19.7304 -19.7180 -19.7180 -19.7139 -19.7139 -6.5268 -6.5268 -6.2118 -6.2118 -5.9633 -5.9633 -5.9396 -5.9396 -0.5203 -0.5203 -0.4882 -0.4882 1.0483 1.0483 1.2833 1.2833 1.6654 1.6654 1.9034 1.9034 2.7540 2.7540 3.0898 3.0898 3.3519 3.3519 3.6001 3.6001 3.6738 3.6738 4.1944 4.1944 6.5427 6.5427 7.0276 7.0276 7.6237 7.6237 7.7083 7.7083 7.7493 7.7493 k =-0.3139 0.4721 0.5067 ( 14482 PWs) bands (ev): -47.8734 -47.8734 -47.8715 -47.8715 -19.9170 -19.9170 -19.9035 -19.9035 -19.7488 -19.7488 -19.7300 -19.7300 -19.7181 -19.7181 -19.7138 -19.7138 -6.5238 -6.5238 -6.1898 -6.1898 -5.9743 -5.9743 -5.9559 -5.9559 -0.5703 -0.5703 -0.4641 -0.4641 1.0984 1.0984 1.2999 1.2999 1.6612 1.6612 1.8899 1.8899 2.7549 2.7549 3.0974 3.0974 3.3374 3.3374 3.6042 3.6042 3.6490 3.6490 4.2202 4.2202 6.4917 6.4917 7.0907 7.0907 7.5739 7.5739 7.7124 7.7124 7.7346 7.7346 k =-0.3304 0.4664 0.5182 ( 14484 PWs) bands (ev): -47.8734 -47.8734 -47.8715 -47.8715 -19.9174 -19.9174 -19.9033 -19.9033 -19.7491 -19.7491 -19.7296 -19.7296 -19.7182 -19.7182 -19.7137 -19.7137 -6.5214 -6.5214 -6.1677 -6.1677 -5.9847 -5.9847 -5.9715 -5.9715 -0.6201 -0.6201 -0.4391 -0.4391 1.1329 1.1329 1.3322 1.3322 1.6628 1.6628 1.8808 1.8808 2.7524 2.7524 3.1032 3.1032 3.3178 3.3178 3.5957 3.5957 3.6292 3.6292 4.2432 4.2432 6.4358 6.4358 7.1634 7.1634 7.5221 7.5221 7.7213 7.7213 7.7416 7.7416 k =-0.3469 0.4607 0.5297 ( 14475 PWs) bands (ev): -47.8735 -47.8735 -47.8715 -47.8715 -19.9177 -19.9177 -19.9030 -19.9030 -19.7494 -19.7494 -19.7291 -19.7291 -19.7183 -19.7183 -19.7136 -19.7136 -6.5200 -6.5200 -6.1456 -6.1456 -5.9946 -5.9946 -5.9860 -5.9860 -0.6690 -0.6690 -0.4138 -0.4138 1.1492 1.1492 1.3823 1.3823 1.6680 1.6680 1.8779 1.8779 2.7464 2.7464 3.1069 3.1069 3.2933 3.2933 3.5660 3.5660 3.6240 3.6240 4.2632 4.2632 6.3772 6.3772 7.2451 7.2451 7.4731 7.4731 7.7385 7.7385 7.7596 7.7596 k =-0.3634 0.4550 0.5412 ( 14474 PWs) bands (ev): -47.8735 -47.8735 -47.8714 -47.8714 -19.9180 -19.9180 -19.9028 -19.9028 -19.7497 -19.7497 -19.7287 -19.7287 -19.7183 -19.7183 -19.7136 -19.7136 -6.5198 -6.5198 -6.1237 -6.1237 -6.0038 -6.0038 -5.9991 -5.9991 -0.7165 -0.7165 -0.3885 -0.3885 1.1526 1.1526 1.4444 1.4444 1.6741 1.6741 1.8839 1.8839 2.7367 2.7367 3.1085 3.1085 3.2645 3.2645 3.5273 3.5273 3.6218 3.6218 4.2799 4.2799 6.3180 6.3180 7.3350 7.3350 7.4298 7.4298 7.7637 7.7637 7.7837 7.7837 k =-0.3800 0.4493 0.5527 ( 14482 PWs) bands (ev): -47.8735 -47.8735 -47.8714 -47.8714 -19.9183 -19.9183 -19.9027 -19.9027 -19.7500 -19.7500 -19.7284 -19.7284 -19.7184 -19.7184 -19.7135 -19.7135 -6.5211 -6.5211 -6.1021 -6.1021 -6.0123 -6.0123 -6.0104 -6.0104 -0.7620 -0.7620 -0.3635 -0.3635 1.1493 1.1493 1.5118 1.5118 1.6781 1.6781 1.9014 1.9014 2.7229 2.7229 3.1076 3.1076 3.2323 3.2323 3.4847 3.4847 3.6181 3.6181 4.2931 4.2931 6.2604 6.2604 7.3935 7.3935 7.4321 7.4321 7.7944 7.7944 7.8124 7.8124 k =-0.3965 0.4436 0.5642 ( 14476 PWs) bands (ev): -47.8736 -47.8736 -47.8714 -47.8714 -19.9185 -19.9185 -19.9025 -19.9025 -19.7503 -19.7503 -19.7280 -19.7280 -19.7185 -19.7185 -19.7134 -19.7134 -6.5243 -6.5243 -6.0809 -6.0809 -6.0202 -6.0202 -6.0193 -6.0193 -0.8051 -0.8051 -0.3390 -0.3390 1.1432 1.1432 1.5793 1.5793 1.6795 1.6795 1.9316 1.9316 2.7049 2.7049 3.1042 3.1042 3.1980 3.1980 3.4401 3.4401 3.6118 3.6118 4.3028 4.3028 6.2060 6.2060 7.3650 7.3650 7.5352 7.5352 7.8278 7.8278 7.8447 7.8447 k =-0.4130 0.4379 0.5758 ( 14468 PWs) bands (ev): -47.8736 -47.8736 -47.8713 -47.8713 -19.9188 -19.9188 -19.9023 -19.9023 -19.7505 -19.7505 -19.7277 -19.7277 -19.7185 -19.7185 -19.7134 -19.7134 -6.5295 -6.5295 -6.0607 -6.0607 -6.0267 -6.0267 -6.0260 -6.0260 -0.8454 -0.8454 -0.3155 -0.3155 1.1364 1.1364 1.6367 1.6367 1.6861 1.6861 1.9737 1.9737 2.6824 2.6824 3.0980 3.0980 3.1627 3.1627 3.3942 3.3942 3.6024 3.6024 4.3090 4.3090 6.1564 6.1564 7.3449 7.3449 7.6427 7.6427 7.8625 7.8625 7.8795 7.8795 k =-0.4130 0.4379 0.5758 ( 14468 PWs) bands (ev): -47.8736 -47.8736 -47.8713 -47.8713 -19.9188 -19.9188 -19.9023 -19.9023 -19.7505 -19.7505 -19.7277 -19.7277 -19.7185 -19.7185 -19.7134 -19.7134 -6.5295 -6.5295 -6.0607 -6.0607 -6.0267 -6.0267 -6.0260 -6.0260 -0.8454 -0.8454 -0.3155 -0.3155 1.1364 1.1364 1.6367 1.6367 1.6861 1.6861 1.9737 1.9737 2.6824 2.6824 3.0980 3.0980 3.1627 3.1627 3.3942 3.3942 3.6024 3.6024 4.3090 4.3090 6.1564 6.1564 7.3449 7.3449 7.6427 7.6427 7.8625 7.8625 7.8795 7.8795 k =-0.4227 0.4209 0.5758 ( 14468 PWs) bands (ev): -47.8736 -47.8736 -47.8713 -47.8713 -19.9192 -19.9192 -19.9020 -19.9020 -19.7509 -19.7509 -19.7271 -19.7271 -19.7186 -19.7186 -19.7133 -19.7133 -6.5383 -6.5383 -6.0344 -6.0344 -6.0336 -6.0336 -6.0331 -6.0331 -0.9005 -0.9005 -0.2824 -0.2824 1.1262 1.1262 1.6963 1.6963 1.7169 1.7169 2.0450 2.0450 2.6474 2.6474 3.0870 3.0870 3.1086 3.1086 3.3239 3.3239 3.5868 3.5868 4.3152 4.3152 6.0897 6.0897 7.3226 7.3226 7.8064 7.8064 7.9157 7.9157 7.9338 7.9338 k =-0.4323 0.4040 0.5758 ( 14476 PWs) bands (ev): -47.8736 -47.8736 -47.8713 -47.8713 -19.9195 -19.9195 -19.9018 -19.9018 -19.7512 -19.7512 -19.7267 -19.7267 -19.7187 -19.7187 -19.7132 -19.7132 -6.5462 -6.5462 -6.0411 -6.0411 -6.0404 -6.0404 -6.0082 -6.0082 -0.9499 -0.9499 -0.2515 -0.2515 1.1164 1.1164 1.7465 1.7465 1.7543 1.7543 2.1183 2.1183 2.6167 2.6167 3.0511 3.0511 3.0768 3.0768 3.2505 3.2505 3.5729 3.5729 4.3209 4.3209 6.0290 6.0290 7.3030 7.3030 7.9670 7.9670 7.9699 7.9699 7.9969 7.9969 k =-0.4420 0.3871 0.5758 ( 14480 PWs) bands (ev): -47.8737 -47.8737 -47.8712 -47.8712 -19.9197 -19.9197 -19.9017 -19.9017 -19.7514 -19.7514 -19.7264 -19.7264 -19.7188 -19.7188 -19.7132 -19.7132 -6.5530 -6.5530 -6.0470 -6.0470 -6.0463 -6.0463 -5.9860 -5.9860 -0.9936 -0.9936 -0.2233 -0.2233 1.1073 1.1073 1.7740 1.7740 1.8094 1.8094 2.1935 2.1935 2.5918 2.5918 2.9913 2.9913 3.0666 3.0666 3.1755 3.1755 3.5610 3.5610 4.3260 4.3260 5.9749 5.9749 7.2860 7.2860 8.0234 8.0234 8.0388 8.0388 8.1514 8.1514 k =-0.4517 0.3701 0.5758 ( 14488 PWs) bands (ev): -47.8737 -47.8737 -47.8712 -47.8712 -19.9200 -19.9200 -19.9015 -19.9015 -19.7517 -19.7517 -19.7261 -19.7261 -19.7188 -19.7188 -19.7131 -19.7131 -6.5589 -6.5589 -6.0520 -6.0520 -6.0513 -6.0513 -5.9668 -5.9668 -1.0310 -1.0310 -0.1984 -0.1984 1.0992 1.0992 1.7986 1.7986 1.8603 1.8603 2.2703 2.2703 2.5746 2.5746 2.9301 2.9301 3.0516 3.0516 3.1044 3.1044 3.5509 3.5509 4.3304 4.3304 5.9280 5.9280 7.2717 7.2717 8.0745 8.0745 8.0912 8.0912 8.3230 8.3230 k =-0.4613 0.3532 0.5758 ( 14480 PWs) bands (ev): -47.8737 -47.8737 -47.8712 -47.8712 -19.9202 -19.9202 -19.9014 -19.9014 -19.7519 -19.7519 -19.7258 -19.7258 -19.7189 -19.7189 -19.7131 -19.7131 -6.5637 -6.5637 -6.0562 -6.0562 -6.0554 -6.0554 -5.9509 -5.9509 -1.0620 -1.0620 -0.1772 -0.1772 1.0924 1.0924 1.8196 1.8196 1.9051 1.9051 2.3485 2.3485 2.5668 2.5668 2.8687 2.8687 3.0019 3.0019 3.0678 3.0678 3.5427 3.5427 4.3341 4.3341 5.8889 5.8889 7.2599 7.2599 8.1209 8.1209 8.1384 8.1384 8.4860 8.4860 k =-0.4710 0.3363 0.5758 ( 14464 PWs) bands (ev): -47.8737 -47.8737 -47.8712 -47.8712 -19.9203 -19.9203 -19.9013 -19.9013 -19.7520 -19.7520 -19.7256 -19.7256 -19.7189 -19.7189 -19.7130 -19.7130 -6.5674 -6.5674 -6.0594 -6.0594 -6.0587 -6.0587 -5.9383 -5.9383 -1.0864 -1.0864 -0.1601 -0.1601 1.0869 1.0869 1.8365 1.8365 1.9421 1.9421 2.4278 2.4278 2.5700 2.5700 2.8085 2.8085 2.9254 2.9254 3.0583 3.0583 3.5363 3.5363 4.3370 4.3370 5.8580 5.8580 7.2508 7.2508 8.1605 8.1605 8.1787 8.1787 8.6010 8.6010 k =-0.4807 0.3193 0.5758 ( 14464 PWs) bands (ev): -47.8738 -47.8738 -47.8712 -47.8712 -19.9204 -19.9204 -19.9012 -19.9012 -19.7521 -19.7521 -19.7254 -19.7254 -19.7189 -19.7189 -19.7130 -19.7130 -6.5701 -6.5701 -6.0617 -6.0617 -6.0610 -6.0610 -5.9292 -5.9292 -1.1039 -1.1039 -0.1477 -0.1477 1.0830 1.0830 1.8488 1.8488 1.9695 1.9695 2.5075 2.5075 2.5850 2.5850 2.7512 2.7512 2.8453 2.8453 3.0536 3.0536 3.5318 3.5318 4.3391 4.3391 5.8357 5.8357 7.2442 7.2442 8.1911 8.1911 8.2098 8.2098 8.6355 8.6355 k =-0.4903 0.3024 0.5758 ( 14476 PWs) bands (ev): -47.8738 -47.8738 -47.8712 -47.8712 -19.9205 -19.9205 -19.9012 -19.9012 -19.7522 -19.7522 -19.7254 -19.7254 -19.7189 -19.7189 -19.7130 -19.7130 -6.5717 -6.5717 -6.0631 -6.0631 -6.0624 -6.0624 -5.9237 -5.9237 -1.1144 -1.1144 -0.1401 -0.1401 1.0806 1.0806 1.8564 1.8564 1.9863 1.9863 2.5858 2.5858 2.6114 2.6114 2.6987 2.6987 2.7665 2.7665 3.0511 3.0511 3.5291 3.5291 4.3404 4.3404 5.8222 5.8222 7.2403 7.2403 8.2104 8.2104 8.2294 8.2294 8.6421 8.6421 k =-0.5000 0.2855 0.5758 ( 14496 PWs) bands (ev): -47.8738 -47.8738 -47.8711 -47.8711 -19.9205 -19.9205 -19.9012 -19.9012 -19.7521 -19.7521 -19.7255 -19.7255 -19.7190 -19.7190 -19.7130 -19.7130 -6.5723 -6.5723 -6.0636 -6.0636 -6.0628 -6.0628 -5.9218 -5.9218 -1.1180 -1.1180 -0.1375 -0.1375 1.0798 1.0798 1.8589 1.8589 1.9919 1.9919 2.6395 2.6395 2.6395 2.6395 2.6619 2.6619 2.7126 2.7126 3.0503 3.0503 3.5282 3.5282 4.3408 4.3408 5.8176 5.8176 7.2390 7.2390 8.2170 8.2170 8.2362 8.2362 8.6431 8.6431 k = 0.0000 0.0000 0.5758 ( 14472 PWs) bands (ev): -47.8738 -47.8738 -47.8711 -47.8711 -19.9205 -19.9205 -19.9012 -19.9012 -19.7521 -19.7521 -19.7254 -19.7254 -19.7189 -19.7189 -19.7129 -19.7129 -6.9495 -6.9495 -6.0930 -6.0930 -5.8882 -5.8882 -5.5202 -5.5202 -0.7863 -0.7863 -0.2110 -0.2110 1.0094 1.0094 1.2496 1.2496 1.6867 1.6867 1.8637 1.8637 2.3913 2.3913 2.7831 2.7831 2.9555 2.9555 3.2379 3.2379 3.7991 3.7991 4.2777 4.2777 6.5436 6.5436 7.1082 7.1082 7.7874 7.7874 8.0857 8.0857 8.2333 8.2333 k = 0.0104 0.0182 0.5758 ( 14468 PWs) bands (ev): -47.8738 -47.8738 -47.8711 -47.8711 -19.9204 -19.9204 -19.9012 -19.9012 -19.7521 -19.7521 -19.7254 -19.7254 -19.7189 -19.7189 -19.7129 -19.7129 -6.9486 -6.9486 -6.0924 -6.0924 -5.8897 -5.8897 -5.5209 -5.5209 -0.7864 -0.7864 -0.2077 -0.2077 1.0053 1.0053 1.2463 1.2463 1.6942 1.6942 1.8584 1.8584 2.3937 2.3937 2.7854 2.7854 2.9583 2.9583 3.2398 3.2398 3.7971 3.7971 4.2758 4.2758 6.5466 6.5466 7.0905 7.0905 7.7908 7.7908 8.0709 8.0709 8.2526 8.2526 k = 0.0208 0.0365 0.5758 ( 14460 PWs) bands (ev): -47.8738 -47.8738 -47.8711 -47.8711 -19.9203 -19.9203 -19.9012 -19.9012 -19.7520 -19.7520 -19.7255 -19.7255 -19.7189 -19.7189 -19.7129 -19.7129 -6.9459 -6.9459 -6.0907 -6.0907 -5.8942 -5.8942 -5.5229 -5.5229 -0.7864 -0.7864 -0.1980 -0.1980 0.9934 0.9934 1.2369 1.2369 1.7148 1.7148 1.8441 1.8441 2.4005 2.4005 2.7920 2.7920 2.9668 2.9668 3.2451 3.2451 3.7911 3.7911 4.2700 4.2700 6.5556 6.5556 7.0419 7.0419 7.7999 7.7999 8.0303 8.0303 8.3067 8.3067 k = 0.0312 0.0547 0.5758 ( 14468 PWs) bands (ev): -47.8738 -47.8738 -47.8712 -47.8712 -19.9202 -19.9202 -19.9013 -19.9013 -19.7519 -19.7519 -19.7257 -19.7257 -19.7189 -19.7189 -19.7130 -19.7130 -6.9415 -6.9415 -6.0879 -6.0879 -5.9017 -5.9017 -5.5262 -5.5262 -0.7862 -0.7862 -0.1824 -0.1824 0.9749 0.9749 1.2228 1.2228 1.7407 1.7407 1.8278 1.8278 2.4109 2.4109 2.8024 2.8024 2.9806 2.9806 3.2535 3.2535 3.7812 3.7812 4.2605 4.2605 6.5705 6.5705 6.9718 6.9718 7.8129 7.8129 7.9712 7.9712 8.3872 8.3872 k = 0.0417 0.0730 0.5758 ( 14466 PWs) bands (ev): -47.8737 -47.8737 -47.8712 -47.8712 -19.9201 -19.9201 -19.9014 -19.9014 -19.7517 -19.7517 -19.7259 -19.7259 -19.7188 -19.7188 -19.7130 -19.7130 -6.9352 -6.9352 -6.0840 -6.0840 -5.9121 -5.9121 -5.5308 -5.5308 -0.7854 -0.7854 -0.1616 -0.1616 0.9516 0.9516 1.2059 1.2059 1.7453 1.7453 1.8354 1.8354 2.4240 2.4240 2.8160 2.8160 2.9991 2.9991 3.2642 3.2642 3.7675 3.7675 4.2473 4.2473 6.5912 6.5912 6.8899 6.8899 7.8281 7.8281 7.9005 7.9005 8.4846 8.4846 k = 0.0521 0.0912 0.5758 ( 14466 PWs) bands (ev): -47.8737 -47.8737 -47.8712 -47.8712 -19.9198 -19.9198 -19.9016 -19.9016 -19.7515 -19.7515 -19.7262 -19.7262 -19.7188 -19.7188 -19.7131 -19.7131 -6.9273 -6.9273 -6.0790 -6.0790 -5.9253 -5.9253 -5.5366 -5.5366 -0.7837 -0.7837 -0.1367 -0.1367 0.9250 0.9250 1.1877 1.1877 1.7159 1.7159 1.8789 1.8789 2.4390 2.4390 2.8320 2.8320 3.0215 3.0215 3.2762 3.2762 3.7504 3.7504 4.2304 4.2304 6.6176 6.6176 6.8039 6.8039 7.8184 7.8184 7.8504 7.8504 8.5892 8.5892 k = 0.0625 0.1095 0.5758 ( 14454 PWs) bands (ev): -47.8737 -47.8737 -47.8712 -47.8712 -19.9196 -19.9196 -19.9017 -19.9017 -19.7513 -19.7513 -19.7266 -19.7266 -19.7187 -19.7187 -19.7131 -19.7131 -6.9176 -6.9176 -6.0729 -6.0729 -5.9412 -5.9412 -5.5437 -5.5437 -0.7807 -0.7807 -0.1090 -0.1090 0.8968 0.8968 1.1698 1.1698 1.6734 1.6734 1.9374 1.9374 2.4556 2.4556 2.8501 2.8501 3.0460 3.0460 3.2885 3.2885 3.7302 3.7302 4.2101 4.2101 6.6493 6.6493 6.7194 6.7194 7.7385 7.7385 7.8696 7.8696 8.6866 8.6866 k = 0.0729 0.1277 0.5758 ( 14456 PWs) bands (ev): -47.8736 -47.8736 -47.8713 -47.8713 -19.9192 -19.9192 -19.9019 -19.9019 -19.7510 -19.7510 -19.7270 -19.7270 -19.7186 -19.7186 -19.7132 -19.7132 -6.9061 -6.9061 -6.0657 -6.0657 -5.9596 -5.9596 -5.5521 -5.5521 -0.7760 -0.7760 -0.0800 -0.0800 0.8683 0.8683 1.1538 1.1538 1.6255 1.6255 2.0031 2.0031 2.4736 2.4736 2.8699 2.8699 3.0709 3.0709 3.3005 3.3005 3.7071 3.7071 4.1864 4.1864 6.6399 6.6399 6.6869 6.6869 7.6555 7.6555 7.8936 7.8936 8.7304 8.7304 k = 0.0833 0.1460 0.5758 ( 14456 PWs) bands (ev): -47.8736 -47.8736 -47.8713 -47.8713 -19.9189 -19.9189 -19.9022 -19.9022 -19.7506 -19.7506 -19.7275 -19.7275 -19.7185 -19.7185 -19.7133 -19.7133 -6.8930 -6.8930 -6.0575 -6.0575 -5.9805 -5.9805 -5.5615 -5.5615 -0.7694 -0.7694 -0.0514 -0.0514 0.8407 0.8407 1.1414 1.1414 1.5746 1.5746 2.0733 2.0733 2.4931 2.4931 2.8913 2.8913 3.0933 3.0933 3.3118 3.3118 3.6817 3.6817 4.1594 4.1594 6.5699 6.5699 6.7284 6.7284 7.5726 7.5726 7.9208 7.9208 8.6622 8.6622 k = 0.0938 0.1642 0.5758 ( 14456 PWs) bands (ev): -47.8736 -47.8736 -47.8714 -47.8714 -19.9185 -19.9185 -19.9024 -19.9024 -19.7502 -19.7502 -19.7280 -19.7280 -19.7184 -19.7184 -19.7134 -19.7134 -6.8782 -6.8782 -6.0483 -6.0483 -6.0035 -6.0035 -5.5721 -5.5721 -0.7606 -0.7606 -0.0252 -0.0252 0.8150 0.8150 1.1343 1.1343 1.5221 1.5221 2.1463 2.1463 2.5142 2.5142 2.9143 2.9143 3.1100 3.1100 3.3227 3.3227 3.6545 3.6545 4.1293 4.1293 6.5112 6.5112 6.7742 6.7742 7.4911 7.4911 7.9512 7.9512 8.5515 8.5515 k = 0.1042 0.1824 0.5758 ( 14452 PWs) bands (ev): -47.8735 -47.8735 -47.8714 -47.8714 -19.9180 -19.9180 -19.9027 -19.9027 -19.7498 -19.7498 -19.7286 -19.7286 -19.7183 -19.7183 -19.7135 -19.7135 -6.8618 -6.8618 -6.0381 -6.0381 -6.0286 -6.0286 -5.5838 -5.5838 -0.7494 -0.7494 -0.0034 -0.0034 0.7920 0.7920 1.1343 1.1343 1.4687 1.4687 2.2210 2.2210 2.5372 2.5372 2.9387 2.9387 3.1176 3.1176 3.3340 3.3340 3.6262 3.6262 4.0962 4.0962 6.4659 6.4659 6.8232 6.8232 7.4119 7.4119 7.9847 7.9847 8.4350 8.4350 k = 0.1146 0.2007 0.5758 ( 14472 PWs) bands (ev): -47.8735 -47.8735 -47.8715 -47.8715 -19.9176 -19.9176 -19.9031 -19.9031 -19.7493 -19.7493 -19.7292 -19.7292 -19.7182 -19.7182 -19.7136 -19.7136 -6.8437 -6.8437 -6.0556 -6.0556 -6.0270 -6.0270 -5.5964 -5.5964 -0.7359 -0.7359 0.0122 0.0122 0.7726 0.7726 1.1432 1.1432 1.4153 1.4153 2.2961 2.2961 2.5625 2.5625 2.9646 2.9646 3.1131 3.1131 3.3461 3.3461 3.5977 3.5977 4.0605 4.0605 6.4355 6.4355 6.8740 6.8740 7.3358 7.3358 8.0210 8.0210 8.3216 8.3216 k = 0.1250 0.2189 0.5758 ( 14470 PWs) bands (ev): -47.8734 -47.8734 -47.8715 -47.8715 -19.9171 -19.9171 -19.9034 -19.9034 -19.7488 -19.7488 -19.7299 -19.7299 -19.7180 -19.7180 -19.7138 -19.7138 -6.8241 -6.8241 -6.0842 -6.0842 -6.0149 -6.0149 -5.6100 -5.6100 -0.7197 -0.7197 0.0199 0.0199 0.7572 0.7572 1.1623 1.1623 1.3622 1.3622 2.3702 2.3702 2.5906 2.5906 2.9917 2.9917 3.0954 3.0954 3.3579 3.3579 3.5700 3.5700 4.0226 4.0226 6.4208 6.4208 6.9247 6.9247 7.2635 7.2635 8.0591 8.0591 8.2172 8.2172 k = 0.1354 0.2372 0.5758 ( 14468 PWs) bands (ev): -47.8733 -47.8733 -47.8716 -47.8716 -19.9165 -19.9165 -19.9038 -19.9038 -19.7483 -19.7483 -19.7306 -19.7306 -19.7179 -19.7179 -19.7139 -19.7139 -6.8029 -6.8029 -6.1143 -6.1143 -6.0020 -6.0020 -5.6244 -5.6244 -0.7010 -0.7010 0.0190 0.0190 0.7460 0.7460 1.1927 1.1927 1.3100 1.3100 2.4412 2.4412 2.6222 2.6222 3.0179 3.0179 3.0667 3.0667 3.3672 3.3672 3.5449 3.5449 3.9831 3.9831 6.4221 6.4221 6.9723 6.9723 7.1958 7.1958 8.0850 8.0850 8.1397 8.1397 k = 0.1458 0.2554 0.5758 ( 14478 PWs) bands (ev): -47.8733 -47.8733 -47.8717 -47.8717 -19.9160 -19.9160 -19.9042 -19.9042 -19.7477 -19.7477 -19.7313 -19.7313 -19.7177 -19.7177 -19.7141 -19.7141 -6.7803 -6.7803 -6.1456 -6.1456 -5.9883 -5.9883 -5.6397 -5.6397 -0.6798 -0.6798 0.0093 0.0093 0.7391 0.7391 1.2345 1.2345 1.2589 1.2589 2.5070 2.5070 2.6580 2.6580 3.0127 3.0127 3.0587 3.0587 3.3710 3.3710 3.5240 3.5240 3.9427 3.9427 6.4393 6.4393 7.0120 7.0120 7.1343 7.1343 8.0338 8.0338 8.1582 8.1582 k = 0.1562 0.2737 0.5758 ( 14480 PWs) bands (ev): -47.8732 -47.8732 -47.8717 -47.8717 -19.9154 -19.9154 -19.9047 -19.9047 -19.7471 -19.7471 -19.7322 -19.7322 -19.7176 -19.7176 -19.7143 -19.7143 -6.7563 -6.7563 -6.1780 -6.1780 -5.9738 -5.9738 -5.6556 -5.6556 -0.6561 -0.6561 -0.0086 -0.0086 0.7362 0.7362 1.2091 1.2091 1.2877 1.2877 2.5650 2.5650 2.6977 2.6977 2.9645 2.9645 3.0855 3.0855 3.3677 3.3677 3.5086 3.5086 3.9021 3.9021 6.4717 6.4717 7.0327 7.0327 7.0858 7.0858 7.9813 7.9813 8.1996 8.1996 k = 0.1667 0.2919 0.5758 ( 14458 PWs) bands (ev): -47.8731 -47.8731 -47.8718 -47.8718 -19.9148 -19.9148 -19.9051 -19.9051 -19.7464 -19.7464 -19.7329 -19.7329 -19.7174 -19.7174 -19.7144 -19.7144 -6.7309 -6.7309 -6.2113 -6.2113 -5.9586 -5.9586 -5.6722 -5.6722 -0.6298 -0.6298 -0.0335 -0.0335 0.7370 0.7370 1.1611 1.1611 1.3513 1.3513 2.6139 2.6139 2.7349 2.7349 2.9127 2.9127 3.1136 3.1136 3.3591 3.3591 3.4973 3.4973 3.8622 3.8622 6.5182 6.5182 7.0080 7.0080 7.0726 7.0726 7.9550 7.9550 8.2217 8.2217 k = 0.1771 0.3101 0.5758 ( 14462 PWs) bands (ev): -47.8730 -47.8730 -47.8719 -47.8719 -19.9141 -19.9141 -19.9056 -19.9056 -19.7457 -19.7457 -19.7338 -19.7338 -19.7172 -19.7172 -19.7146 -19.7146 -6.7042 -6.7042 -6.2452 -6.2452 -5.9428 -5.9428 -5.6894 -5.6894 -0.6012 -0.6012 -0.0641 -0.0641 0.7412 0.7412 1.1149 1.1149 1.4243 1.4243 2.6523 2.6523 2.7456 2.7456 2.8849 2.8849 3.1379 3.1379 3.3510 3.3510 3.4869 3.4869 3.8237 3.8237 6.5777 6.5777 6.9662 6.9662 7.0647 7.0647 7.9592 7.9592 8.1495 8.1495 k = 0.1875 0.3284 0.5758 ( 14450 PWs) bands (ev): -47.8730 -47.8730 -47.8719 -47.8719 -19.9135 -19.9135 -19.9061 -19.9061 -19.7449 -19.7449 -19.7347 -19.7347 -19.7171 -19.7171 -19.7148 -19.7148 -6.6763 -6.6763 -6.2797 -6.2797 -5.9263 -5.9263 -5.7070 -5.7070 -0.5704 -0.5704 -0.0991 -0.0991 0.7487 0.7487 1.0709 1.0709 1.5053 1.5053 2.6567 2.6567 2.7299 2.7299 2.9045 2.9045 3.1542 3.1542 3.3505 3.3505 3.4749 3.4749 3.7869 3.7869 6.6486 6.6486 6.9285 6.9285 7.0437 7.0437 7.9898 7.9898 8.0296 8.0296 k = 0.1979 0.3466 0.5758 ( 14470 PWs) bands (ev): -47.8729 -47.8729 -47.8720 -47.8720 -19.9129 -19.9129 -19.9067 -19.9067 -19.7441 -19.7441 -19.7356 -19.7356 -19.7169 -19.7169 -19.7150 -19.7150 -6.6472 -6.6472 -6.3145 -6.3145 -5.9093 -5.9093 -5.7250 -5.7250 -0.5373 -0.5373 -0.1373 -0.1373 0.7593 0.7593 1.0291 1.0291 1.5931 1.5931 2.5917 2.5917 2.7522 2.7522 2.9404 2.9404 3.1614 3.1614 3.3608 3.3608 3.4611 3.4611 3.7516 3.7516 6.7292 6.7292 6.8980 6.8980 7.0125 7.0125 7.8936 7.8936 8.0548 8.0548 k = 0.2083 0.3649 0.5758 ( 14470 PWs) bands (ev): -47.8728 -47.8728 -47.8721 -47.8721 -19.9122 -19.9122 -19.9072 -19.9072 -19.7434 -19.7434 -19.7364 -19.7364 -19.7167 -19.7167 -19.7152 -19.7152 -6.6170 -6.6170 -6.3494 -6.3494 -5.8918 -5.8918 -5.7434 -5.7434 -0.5023 -0.5023 -0.1777 -0.1777 0.7731 0.7731 0.9896 0.9896 1.6866 1.6866 2.5027 2.5027 2.7860 2.7860 2.9696 2.9696 3.1662 3.1662 3.3741 3.3741 3.4518 3.4518 3.7173 3.7173 6.8140 6.8140 6.8797 6.8797 6.9768 6.9768 7.7632 7.7632 8.1336 8.1336 k = 0.2188 0.3831 0.5758 ( 14472 PWs) bands (ev): -47.8727 -47.8727 -47.8722 -47.8722 -19.9116 -19.9116 -19.9078 -19.9078 -19.7425 -19.7425 -19.7373 -19.7373 -19.7165 -19.7165 -19.7154 -19.7154 -6.5859 -6.5859 -6.3843 -6.3843 -5.8739 -5.8739 -5.7619 -5.7619 -0.4654 -0.4654 -0.2194 -0.2194 0.7899 0.7899 0.9527 0.9527 1.7845 1.7845 2.4053 2.4053 2.8212 2.8212 2.9814 2.9814 3.1793 3.1793 3.3696 3.3696 3.4634 3.4634 3.6830 3.6830 6.8483 6.8483 6.9192 6.9192 6.9500 6.9500 7.6336 7.6336 8.2276 8.2276 k = 0.2292 0.4014 0.5758 ( 14478 PWs) bands (ev): -47.8726 -47.8726 -47.8723 -47.8723 -19.9109 -19.9109 -19.9084 -19.9084 -19.7417 -19.7417 -19.7382 -19.7382 -19.7163 -19.7163 -19.7156 -19.7156 -6.5538 -6.5538 -6.4191 -6.4191 -5.8557 -5.8557 -5.7807 -5.7807 -0.4268 -0.4268 -0.2617 -0.2617 0.8098 0.8098 0.9185 0.9185 1.8858 1.8858 2.3036 2.3036 2.8565 2.8565 2.9737 2.9737 3.2049 3.2049 3.3453 3.3453 3.4948 3.4948 3.6477 3.6477 6.8454 6.8454 6.9041 6.9041 7.0341 7.0341 7.5061 7.5061 8.3330 8.3330 k = 0.2396 0.4196 0.5758 ( 14454 PWs) bands (ev): -47.8725 -47.8725 -47.8724 -47.8724 -19.9103 -19.9103 -19.9090 -19.9090 -19.7408 -19.7408 -19.7391 -19.7391 -19.7161 -19.7161 -19.7157 -19.7157 -6.5210 -6.5210 -6.4536 -6.4536 -5.8372 -5.8372 -5.7994 -5.7994 -0.3869 -0.3869 -0.3040 -0.3040 0.8326 0.8326 0.8870 0.8870 1.9894 1.9894 2.1995 2.1995 2.8910 2.8910 2.9523 2.9523 3.2389 3.2389 3.3122 3.3122 3.5330 3.5330 3.6109 3.6109 6.8482 6.8482 6.8782 6.8782 7.1441 7.1441 7.3815 7.3815 8.4469 8.4469 k = 0.2500 0.4379 0.5758 ( 14452 PWs) bands (ev): -47.8725 -47.8725 -47.8725 -47.8725 -19.9096 -19.9096 -19.9096 -19.9096 -19.7400 -19.7400 -19.7400 -19.7400 -19.7159 -19.7159 -19.7159 -19.7159 -6.4878 -6.4878 -6.4874 -6.4874 -5.8186 -5.8186 -5.8182 -5.8182 -0.3459 -0.3459 -0.3458 -0.3458 0.8583 0.8583 0.8584 0.8584 2.0943 2.0943 2.0944 2.0944 2.9234 2.9234 2.9237 2.9237 3.2757 3.2757 3.2759 3.2759 3.5723 3.5723 3.5725 3.5725 6.8591 6.8591 6.8592 6.8592 7.2605 7.2605 7.2606 7.2606 8.5672 8.5672 Writing output data file NaAlTe2.save init_run : 0.64s CPU 0.87s WALL ( 1 calls) electrons : 341.19s CPU 344.19s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.05s CPU 0.12s WALL ( 1 calls) Called by electrons: c_bands : 341.18s CPU 344.18s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.14s CPU 0.22s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.14s CPU 0.26s WALL ( 248 calls) cegterg : 310.28s CPU 312.33s WALL ( 388 calls) Called by sum_band: Called by *egterg: h_psi : 207.80s CPU 209.28s WALL ( 6264 calls) s_psi : 14.53s CPU 14.59s WALL ( 6264 calls) g_psi : 0.68s CPU 0.72s WALL ( 5628 calls) cdiaghg : 58.20s CPU 58.73s WALL ( 5876 calls) cegterg:over : 17.28s CPU 17.32s WALL ( 5628 calls) cegterg:upda : 19.40s CPU 19.54s WALL ( 5628 calls) cegterg:last : 8.51s CPU 8.55s WALL ( 977 calls) cdiaghg:chol : 3.42s CPU 3.43s WALL ( 5876 calls) cdiaghg:inve : 2.36s CPU 2.40s WALL ( 5876 calls) cdiaghg:para : 3.90s CPU 4.02s WALL ( 11752 calls) Called by h_psi: h_psi:vloc : 176.51s CPU 177.74s WALL ( 6264 calls) h_psi:vnl : 30.52s CPU 30.75s WALL ( 6264 calls) add_vuspsi : 16.08s CPU 16.15s WALL ( 6264 calls) General routines calbec : 14.41s CPU 14.58s WALL ( 6264 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 164.24s CPU 165.51s WALL ( 706220 calls) interpolate : 0.01s CPU 0.00s WALL ( 4 calls) davcio : 0.29s CPU 0.53s WALL ( 496 calls) Parallel routines fft_scatter : 49.53s CPU 49.92s WALL ( 706243 calls) PWSCF : 6m13.86s CPU 6m44.22s WALL This run was terminated on: 19:27:26 27Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=