Program PWSCF v.5.1.1 starts on 19Jun2016 at 15:48:25 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./YSi3Ir.save/ file Ir.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5D 5D renormalized file Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 4P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 51 29 8 1068 462 73 Max 52 30 9 1071 477 76 Sum 2477 1433 425 51311 22483 3589 bravais-lattice index = 14 lattice parameter (alat) = 10.7438 a.u. unit-cell volume = 568.8567 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 306.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.743849 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.731922 celldm(5)= -0.731922 celldm(6)= 0.463845 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.463845 0.885917 0.000000 ) a(3) = ( -0.731922 -0.442958 0.517762 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.523576 0.965694 ) b(2) = ( 0.000000 1.128774 0.965694 ) b(3) = ( 0.000000 0.000000 1.931389 ) PseudoPot. # 1 for Ir read from file: /home/autes/Pseudo/Ir.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6b565eb6e2516fc30fbc5a2cc5b4266f 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 1277 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Si read from file: /home/autes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Y read from file: /home/autes/Pseudo/Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 25a826a599bbcba7ebf619f9598d90b1 Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1223 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 Ir 9.00 192.21700 Ir( 1.00) Si 4.00 28.08550 Si( 1.00) Y 11.00 88.90590 Y( 1.00) 2 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -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_s (m) there are 4 classes and 2 irreducible representations the character table: E -E s -s G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E s -s G_3 0.00 0.00 1.00 -1.00 G_4 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 s 2 -E -1 -s -2 Cartesian axes number of k points= 351 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028490 k( 2) = ( 0.0000000 0.0000000 0.0178832), wk = 0.0028490 k( 3) = ( 0.0000000 0.0000000 0.0357665), wk = 0.0028490 k( 4) = ( 0.0000000 0.0000000 0.0536497), wk = 0.0028490 k( 5) = ( 0.0000000 0.0000000 0.0715329), wk = 0.0028490 k( 6) = ( 0.0000000 0.0000000 0.0894161), wk = 0.0028490 k( 7) = ( 0.0000000 0.0000000 0.1072994), wk = 0.0028490 k( 8) = ( 0.0000000 0.0000000 0.1251826), wk = 0.0028490 k( 9) = ( 0.0000000 0.0000000 0.1430658), wk = 0.0028490 k( 10) = ( 0.0000000 0.0000000 0.1609490), wk = 0.0028490 k( 11) = ( 0.0000000 0.0000000 0.1788323), wk = 0.0028490 k( 12) = ( 0.0000000 0.0000000 0.1967155), wk = 0.0028490 k( 13) = ( 0.0000000 0.0000000 0.2145987), wk = 0.0028490 k( 14) = ( 0.0000000 0.0000000 0.2324820), wk = 0.0028490 k( 15) = ( 0.0000000 0.0000000 0.2503652), wk = 0.0028490 k( 16) = ( 0.0000000 0.0000000 0.2682484), wk = 0.0028490 k( 17) = ( 0.0000000 0.0000000 0.2861316), wk = 0.0028490 k( 18) = ( 0.0000000 0.0000000 0.3040149), wk = 0.0028490 k( 19) = ( 0.0000000 0.0000000 0.3218981), wk = 0.0028490 k( 20) = ( 0.0000000 0.0000000 0.3397813), wk = 0.0028490 k( 21) = ( 0.0000000 0.0000000 0.3576646), wk = 0.0028490 k( 22) = ( 0.0000000 0.0000000 0.3755478), wk = 0.0028490 k( 23) = ( 0.0000000 0.0000000 0.3934310), wk = 0.0028490 k( 24) = ( 0.0000000 0.0000000 0.4113142), wk = 0.0028490 k( 25) = ( 0.0000000 0.0000000 0.4291975), wk = 0.0028490 k( 26) = ( 0.0000000 0.0000000 0.4470807), wk = 0.0028490 k( 27) = ( 0.0000000 0.0000000 0.4649639), wk = 0.0028490 k( 28) = ( 0.0000000 0.0000000 0.4828471), wk = 0.0028490 k( 29) = ( 0.0000000 0.0000000 0.5007304), wk = 0.0028490 k( 30) = ( 0.0000000 0.0000000 0.5186136), wk = 0.0028490 k( 31) = ( 0.0000000 0.0000000 0.5364968), wk = 0.0028490 k( 32) = ( 0.0000000 0.0000000 0.5543801), wk = 0.0028490 k( 33) = ( 0.0000000 0.0000000 0.5722633), wk = 0.0028490 k( 34) = ( 0.0000000 0.0000000 0.5901465), wk = 0.0028490 k( 35) = ( 0.0000000 0.0000000 0.6080297), wk = 0.0028490 k( 36) = ( 0.0000000 0.0000000 0.6259130), wk = 0.0028490 k( 37) = ( 0.0000000 0.0000000 0.6437962), wk = 0.0028490 k( 38) = ( 0.0000000 0.0000000 0.6616794), wk = 0.0028490 k( 39) = ( 0.0000000 0.0000000 0.6795626), wk = 0.0028490 k( 40) = ( 0.0000000 0.0000000 0.6974459), wk = 0.0028490 k( 41) = ( 0.0000000 0.0000000 0.7153291), wk = 0.0028490 k( 42) = ( 0.0000000 0.0000000 0.7332123), wk = 0.0028490 k( 43) = ( 0.0000000 0.0000000 0.7510956), wk = 0.0028490 k( 44) = ( 0.0000000 0.0000000 0.7689788), wk = 0.0028490 k( 45) = ( 0.0000000 0.0000000 0.7868620), wk = 0.0028490 k( 46) = ( 0.0000000 0.0000000 0.8047453), wk = 0.0028490 k( 47) = ( 0.0000000 0.0000000 0.8226285), wk = 0.0028490 k( 48) = ( 0.0000000 0.0000000 0.8405117), wk = 0.0028490 k( 49) = ( 0.0000000 0.0000000 0.8583949), wk = 0.0028490 k( 50) = ( 0.0000000 0.0000000 0.8762781), wk = 0.0028490 k( 51) = ( 0.0000000 0.0000000 0.8941614), wk = 0.0028490 k( 52) = ( 0.0000000 0.0000000 0.9120446), wk = 0.0028490 k( 53) = ( 0.0000000 0.0000000 0.9299278), wk = 0.0028490 k( 54) = ( 0.0000000 0.0000000 0.9478111), wk = 0.0028490 k( 55) = ( 0.0000000 0.0000000 0.9656943), wk = 0.0028490 k( 56) = ( 0.0000000 0.0000000 0.9656943), wk = 0.0028490 k( 57) = ( -0.0091566 0.0151300 0.9656943), wk = 0.0028490 k( 58) = ( -0.0183133 0.0302599 0.9656943), wk = 0.0028490 k( 59) = ( -0.0274699 0.0453899 0.9656943), wk = 0.0028490 k( 60) = ( -0.0366265 0.0605198 0.9656943), wk = 0.0028490 k( 61) = ( -0.0457832 0.0756498 0.9656943), wk = 0.0028490 k( 62) = ( -0.0549398 0.0907798 0.9656943), wk = 0.0028490 k( 63) = ( -0.0640964 0.1059097 0.9656943), wk = 0.0028490 k( 64) = ( -0.0732531 0.1210397 0.9656943), wk = 0.0028490 k( 65) = ( -0.0824097 0.1361697 0.9656943), wk = 0.0028490 k( 66) = ( -0.0915663 0.1512996 0.9656943), wk = 0.0028490 k( 67) = ( -0.0915663 0.1512996 0.9656943), wk = 0.0028490 k( 68) = ( -0.0981540 0.1621847 0.9529710), wk = 0.0028490 k( 69) = ( -0.1047416 0.1730698 0.9402477), wk = 0.0028490 k( 70) = ( -0.1113292 0.1839549 0.9275244), wk = 0.0028490 k( 71) = ( -0.1179169 0.1948400 0.9148011), wk = 0.0028490 k( 72) = ( -0.1245045 0.2057251 0.9020778), wk = 0.0028490 k( 73) = ( -0.1310921 0.2166102 0.8893545), wk = 0.0028490 k( 74) = ( -0.1376798 0.2274953 0.8766312), wk = 0.0028490 k( 75) = ( -0.1442674 0.2383803 0.8639080), wk = 0.0028490 k( 76) = ( -0.1508551 0.2492654 0.8511847), wk = 0.0028490 k( 77) = ( -0.1574427 0.2601505 0.8384614), wk = 0.0028490 k( 78) = ( -0.1640303 0.2710356 0.8257381), wk = 0.0028490 k( 79) = ( -0.1706180 0.2819207 0.8130148), wk = 0.0028490 k( 80) = ( -0.1772056 0.2928058 0.8002915), wk = 0.0028490 k( 81) = ( -0.1837933 0.3036909 0.7875682), wk = 0.0028490 k( 82) = ( -0.1903809 0.3145760 0.7748449), wk = 0.0028490 k( 83) = ( -0.1969685 0.3254611 0.7621216), wk = 0.0028490 k( 84) = ( -0.2035562 0.3363462 0.7493983), wk = 0.0028490 k( 85) = ( -0.2101438 0.3472312 0.7366750), wk = 0.0028490 k( 86) = ( -0.2167315 0.3581163 0.7239517), wk = 0.0028490 k( 87) = ( -0.2233191 0.3690014 0.7112284), wk = 0.0028490 k( 88) = ( -0.2299067 0.3798865 0.6985051), wk = 0.0028490 k( 89) = ( -0.2364944 0.3907716 0.6857819), wk = 0.0028490 k( 90) = ( -0.2430820 0.4016567 0.6730586), wk = 0.0028490 k( 91) = ( -0.2496697 0.4125418 0.6603353), wk = 0.0028490 k( 92) = ( -0.2562573 0.4234269 0.6476120), wk = 0.0028490 k( 93) = ( -0.2628450 0.4343120 0.6348887), wk = 0.0028490 k( 94) = ( -0.2694326 0.4451971 0.6221654), wk = 0.0028490 k( 95) = ( -0.2760202 0.4560821 0.6094421), wk = 0.0028490 k( 96) = ( -0.2826079 0.4669672 0.5967188), wk = 0.0028490 k( 97) = ( -0.2891955 0.4778523 0.5839955), wk = 0.0028490 k( 98) = ( -0.2957831 0.4887374 0.5712722), wk = 0.0028490 k( 99) = ( -0.2957831 0.4887374 0.5712722), wk = 0.0028490 k( 100) = ( -0.2892102 0.4778766 0.5585773), wk = 0.0028490 k( 101) = ( -0.2826372 0.4670158 0.5458823), wk = 0.0028490 k( 102) = ( -0.2760643 0.4561549 0.5331874), wk = 0.0028490 k( 103) = ( -0.2694913 0.4452941 0.5204925), wk = 0.0028490 k( 104) = ( -0.2629184 0.4344333 0.5077975), wk = 0.0028490 k( 105) = ( -0.2563454 0.4235724 0.4951026), wk = 0.0028490 k( 106) = ( -0.2497724 0.4127116 0.4824076), wk = 0.0028490 k( 107) = ( -0.2431995 0.4018508 0.4697127), wk = 0.0028490 k( 108) = ( -0.2366265 0.3909899 0.4570178), wk = 0.0028490 k( 109) = ( -0.2300536 0.3801291 0.4443228), wk = 0.0028490 k( 110) = ( -0.2234806 0.3692683 0.4316279), wk = 0.0028490 k( 111) = ( -0.2169077 0.3584074 0.4189330), wk = 0.0028490 k( 112) = ( -0.2103347 0.3475466 0.4062380), wk = 0.0028490 k( 113) = ( -0.2037617 0.3366858 0.3935431), wk = 0.0028490 k( 114) = ( -0.1971888 0.3258249 0.3808481), wk = 0.0028490 k( 115) = ( -0.1906158 0.3149641 0.3681532), wk = 0.0028490 k( 116) = ( -0.1840429 0.3041033 0.3554583), wk = 0.0028490 k( 117) = ( -0.1774699 0.2932424 0.3427633), wk = 0.0028490 k( 118) = ( -0.1708969 0.2823816 0.3300684), wk = 0.0028490 k( 119) = ( -0.1643240 0.2715208 0.3173734), wk = 0.0028490 k( 120) = ( -0.1577510 0.2606600 0.3046785), wk = 0.0028490 k( 121) = ( -0.1511781 0.2497991 0.2919836), wk = 0.0028490 k( 122) = ( -0.1446051 0.2389383 0.2792886), wk = 0.0028490 k( 123) = ( -0.1380321 0.2280775 0.2665937), wk = 0.0028490 k( 124) = ( -0.1314592 0.2172166 0.2538988), wk = 0.0028490 k( 125) = ( -0.1248862 0.2063558 0.2412038), wk = 0.0028490 k( 126) = ( -0.1183133 0.1954950 0.2285089), wk = 0.0028490 k( 127) = ( -0.1117403 0.1846341 0.2158139), wk = 0.0028490 k( 128) = ( -0.1051673 0.1737733 0.2031190), wk = 0.0028490 k( 129) = ( -0.0985944 0.1629125 0.1904241), wk = 0.0028490 k( 130) = ( -0.0920214 0.1520516 0.1777291), wk = 0.0028490 k( 131) = ( -0.0854485 0.1411908 0.1650342), wk = 0.0028490 k( 132) = ( -0.0788755 0.1303300 0.1523393), wk = 0.0028490 k( 133) = ( -0.0723025 0.1194691 0.1396443), wk = 0.0028490 k( 134) = ( -0.0657296 0.1086083 0.1269494), wk = 0.0028490 k( 135) = ( -0.0591566 0.0977475 0.1142544), wk = 0.0028490 k( 136) = ( -0.0525837 0.0868866 0.1015595), wk = 0.0028490 k( 137) = ( -0.0460107 0.0760258 0.0888646), wk = 0.0028490 k( 138) = ( -0.0394378 0.0651650 0.0761696), wk = 0.0028490 k( 139) = ( -0.0328648 0.0543041 0.0634747), wk = 0.0028490 k( 140) = ( -0.0262918 0.0434433 0.0507798), wk = 0.0028490 k( 141) = ( -0.0197189 0.0325825 0.0380848), wk = 0.0028490 k( 142) = ( -0.0131459 0.0217217 0.0253899), wk = 0.0028490 k( 143) = ( -0.0065730 0.0108608 0.0126949), wk = 0.0028490 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028490 k( 145) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028490 k( 146) = ( 0.0151515 0.0091697 0.0000000), wk = 0.0028490 k( 147) = ( 0.0303030 0.0183393 0.0000000), wk = 0.0028490 k( 148) = ( 0.0454546 0.0275090 0.0000000), wk = 0.0028490 k( 149) = ( 0.0606061 0.0366787 0.0000000), wk = 0.0028490 k( 150) = ( 0.0757576 0.0458484 0.0000000), wk = 0.0028490 k( 151) = ( 0.0909091 0.0550180 0.0000000), wk = 0.0028490 k( 152) = ( 0.1060606 0.0641877 0.0000000), wk = 0.0028490 k( 153) = ( 0.1212121 0.0733574 0.0000000), wk = 0.0028490 k( 154) = ( 0.1363636 0.0825271 0.0000000), wk = 0.0028490 k( 155) = ( 0.1515151 0.0916967 0.0000000), wk = 0.0028490 k( 156) = ( 0.1666667 0.1008664 0.0000000), wk = 0.0028490 k( 157) = ( 0.1818182 0.1100361 0.0000000), wk = 0.0028490 k( 158) = ( 0.1969697 0.1192058 0.0000000), wk = 0.0028490 k( 159) = ( 0.2121212 0.1283754 0.0000000), wk = 0.0028490 k( 160) = ( 0.2272727 0.1375451 0.0000000), wk = 0.0028490 k( 161) = ( 0.2424242 0.1467148 0.0000000), wk = 0.0028490 k( 162) = ( 0.2575758 0.1558845 0.0000000), wk = 0.0028490 k( 163) = ( 0.2727273 0.1650541 0.0000000), wk = 0.0028490 k( 164) = ( 0.2878788 0.1742238 0.0000000), wk = 0.0028490 k( 165) = ( 0.3030303 0.1833935 0.0000000), wk = 0.0028490 k( 166) = ( 0.3181818 0.1925632 0.0000000), wk = 0.0028490 k( 167) = ( 0.3333333 0.2017328 0.0000000), wk = 0.0028490 k( 168) = ( 0.3484849 0.2109025 0.0000000), wk = 0.0028490 k( 169) = ( 0.3636364 0.2200722 0.0000000), wk = 0.0028490 k( 170) = ( 0.3787879 0.2292419 0.0000000), wk = 0.0028490 k( 171) = ( 0.3939394 0.2384115 0.0000000), wk = 0.0028490 k( 172) = ( 0.4090909 0.2475812 0.0000000), wk = 0.0028490 k( 173) = ( 0.4242424 0.2567509 0.0000000), wk = 0.0028490 k( 174) = ( 0.4393939 0.2659206 0.0000000), wk = 0.0028490 k( 175) = ( 0.4545455 0.2750902 0.0000000), wk = 0.0028490 k( 176) = ( 0.4696970 0.2842599 0.0000000), wk = 0.0028490 k( 177) = ( 0.4848485 0.2934296 0.0000000), wk = 0.0028490 k( 178) = ( 0.5000000 0.3025993 0.0000000), wk = 0.0028490 k( 179) = ( 0.5000000 0.3025993 0.0000000), wk = 0.0028490 k( 180) = ( 0.4934124 0.3134843 0.0127233), wk = 0.0028490 k( 181) = ( 0.4868247 0.3243694 0.0254466), wk = 0.0028490 k( 182) = ( 0.4802371 0.3352545 0.0381699), wk = 0.0028490 k( 183) = ( 0.4736494 0.3461396 0.0508932), wk = 0.0028490 k( 184) = ( 0.4670618 0.3570247 0.0636165), wk = 0.0028490 k( 185) = ( 0.4604742 0.3679098 0.0763398), wk = 0.0028490 k( 186) = ( 0.4538865 0.3787949 0.0890630), wk = 0.0028490 k( 187) = ( 0.4472989 0.3896800 0.1017863), wk = 0.0028490 k( 188) = ( 0.4407112 0.4005651 0.1145096), wk = 0.0028490 k( 189) = ( 0.4341236 0.4114501 0.1272329), wk = 0.0028490 k( 190) = ( 0.4275360 0.4223352 0.1399562), wk = 0.0028490 k( 191) = ( 0.4209483 0.4332203 0.1526795), wk = 0.0028490 k( 192) = ( 0.4143607 0.4441054 0.1654028), wk = 0.0028490 k( 193) = ( 0.4077730 0.4549905 0.1781261), wk = 0.0028490 k( 194) = ( 0.4011854 0.4658756 0.1908494), wk = 0.0028490 k( 195) = ( 0.3945978 0.4767607 0.2035727), wk = 0.0028490 k( 196) = ( 0.3880101 0.4876458 0.2162960), wk = 0.0028490 k( 197) = ( 0.3814225 0.4985309 0.2290193), wk = 0.0028490 k( 198) = ( 0.3748348 0.5094160 0.2417426), wk = 0.0028490 k( 199) = ( 0.3682472 0.5203010 0.2544659), wk = 0.0028490 k( 200) = ( 0.3616596 0.5311861 0.2671891), wk = 0.0028490 k( 201) = ( 0.3550719 0.5420712 0.2799124), wk = 0.0028490 k( 202) = ( 0.3484843 0.5529563 0.2926357), wk = 0.0028490 k( 203) = ( 0.3418966 0.5638414 0.3053590), wk = 0.0028490 k( 204) = ( 0.3353090 0.5747265 0.3180823), wk = 0.0028490 k( 205) = ( 0.3287214 0.5856116 0.3308056), wk = 0.0028490 k( 206) = ( 0.3221337 0.5964967 0.3435289), wk = 0.0028490 k( 207) = ( 0.3155461 0.6073818 0.3562522), wk = 0.0028490 k( 208) = ( 0.3089584 0.6182669 0.3689755), wk = 0.0028490 k( 209) = ( 0.3023708 0.6291520 0.3816988), wk = 0.0028490 k( 210) = ( 0.2957831 0.6400370 0.3944221), wk = 0.0028490 k( 211) = ( 0.2957831 0.6400370 0.3944221), wk = 0.0028490 k( 212) = ( 0.2793508 0.6358343 0.3993346), wk = 0.0028490 k( 213) = ( 0.2629184 0.6316315 0.4042471), wk = 0.0028490 k( 214) = ( 0.2464860 0.6274287 0.4091596), wk = 0.0028490 k( 215) = ( 0.2300536 0.6232260 0.4140721), wk = 0.0028490 k( 216) = ( 0.2136212 0.6190232 0.4189846), wk = 0.0028490 k( 217) = ( 0.1971888 0.6148204 0.4238971), wk = 0.0028490 k( 218) = ( 0.1807564 0.6106177 0.4288096), wk = 0.0028490 k( 219) = ( 0.1643240 0.6064149 0.4337221), wk = 0.0028490 k( 220) = ( 0.1478916 0.6022121 0.4386346), wk = 0.0028490 k( 221) = ( 0.1314592 0.5980094 0.4435471), wk = 0.0028490 k( 222) = ( 0.1150268 0.5938066 0.4484596), wk = 0.0028490 k( 223) = ( 0.0985944 0.5896038 0.4533721), wk = 0.0028490 k( 224) = ( 0.0821620 0.5854011 0.4582846), wk = 0.0028490 k( 225) = ( 0.0657296 0.5811983 0.4631971), wk = 0.0028490 k( 226) = ( 0.0492972 0.5769955 0.4681096), wk = 0.0028490 k( 227) = ( 0.0328648 0.5727928 0.4730221), wk = 0.0028490 k( 228) = ( 0.0164324 0.5685900 0.4779346), wk = 0.0028490 k( 229) = ( 0.0000000 0.5643872 0.4828471), wk = 0.0028490 k( 230) = ( 0.0000000 0.5643872 0.4828471), wk = 0.0028490 k( 231) = ( 0.0065790 0.5535165 0.4955537), wk = 0.0028490 k( 232) = ( 0.0131579 0.5426458 0.5082601), wk = 0.0028490 k( 233) = ( 0.0197368 0.5317751 0.5209667), wk = 0.0028490 k( 234) = ( 0.0263158 0.5209043 0.5336732), wk = 0.0028490 k( 235) = ( 0.0328947 0.5100336 0.5463797), wk = 0.0028490 k( 236) = ( 0.0394737 0.4991629 0.5590862), wk = 0.0028490 k( 237) = ( 0.0460526 0.4882921 0.5717927), wk = 0.0028490 k( 238) = ( 0.0526316 0.4774214 0.5844992), wk = 0.0028490 k( 239) = ( 0.0592105 0.4665507 0.5972057), wk = 0.0028490 k( 240) = ( 0.0657895 0.4556800 0.6099122), wk = 0.0028490 k( 241) = ( 0.0723684 0.4448092 0.6226187), wk = 0.0028490 k( 242) = ( 0.0789474 0.4339385 0.6353252), wk = 0.0028490 k( 243) = ( 0.0855263 0.4230678 0.6480317), wk = 0.0028490 k( 244) = ( 0.0921053 0.4121971 0.6607382), wk = 0.0028490 k( 245) = ( 0.0986842 0.4013263 0.6734447), wk = 0.0028490 k( 246) = ( 0.1052632 0.3904556 0.6861512), wk = 0.0028490 k( 247) = ( 0.1118421 0.3795849 0.6988577), wk = 0.0028490 k( 248) = ( 0.1184210 0.3687142 0.7115642), wk = 0.0028490 k( 249) = ( 0.1250000 0.3578434 0.7242707), wk = 0.0028490 k( 250) = ( 0.1315790 0.3469727 0.7369772), wk = 0.0028490 k( 251) = ( 0.1381579 0.3361020 0.7496837), wk = 0.0028490 k( 252) = ( 0.1447368 0.3252313 0.7623902), wk = 0.0028490 k( 253) = ( 0.1513158 0.3143605 0.7750967), wk = 0.0028490 k( 254) = ( 0.1578947 0.3034898 0.7878032), wk = 0.0028490 k( 255) = ( 0.1644737 0.2926191 0.8005097), wk = 0.0028490 k( 256) = ( 0.1710526 0.2817483 0.8132162), wk = 0.0028490 k( 257) = ( 0.1776316 0.2708776 0.8259228), wk = 0.0028490 k( 258) = ( 0.1842105 0.2600069 0.8386293), wk = 0.0028490 k( 259) = ( 0.1907895 0.2491362 0.8513358), wk = 0.0028490 k( 260) = ( 0.1973684 0.2382654 0.8640423), wk = 0.0028490 k( 261) = ( 0.2039474 0.2273947 0.8767488), wk = 0.0028490 k( 262) = ( 0.2105263 0.2165240 0.8894553), wk = 0.0028490 k( 263) = ( 0.2171053 0.2056533 0.9021618), wk = 0.0028490 k( 264) = ( 0.2236842 0.1947825 0.9148683), wk = 0.0028490 k( 265) = ( 0.2302632 0.1839118 0.9275748), wk = 0.0028490 k( 266) = ( 0.2368421 0.1730411 0.9402813), wk = 0.0028490 k( 267) = ( 0.2434210 0.1621704 0.9529878), wk = 0.0028490 k( 268) = ( 0.2500000 0.1512996 0.9656943), wk = 0.0028490 k( 269) = ( 0.2500000 0.1512996 0.9656943), wk = 0.0028490 k( 270) = ( 0.2631579 0.1592628 0.9563864), wk = 0.0028490 k( 271) = ( 0.2763158 0.1672259 0.9470785), wk = 0.0028490 k( 272) = ( 0.2894737 0.1751890 0.9377706), wk = 0.0028490 k( 273) = ( 0.3026316 0.1831522 0.9284627), wk = 0.0028490 k( 274) = ( 0.3157895 0.1911153 0.9191548), wk = 0.0028490 k( 275) = ( 0.3289474 0.1990785 0.9098469), wk = 0.0028490 k( 276) = ( 0.3421053 0.2070416 0.9005390), wk = 0.0028490 k( 277) = ( 0.3552632 0.2150047 0.8912311), wk = 0.0028490 k( 278) = ( 0.3684211 0.2229679 0.8819232), wk = 0.0028490 k( 279) = ( 0.3815789 0.2309310 0.8726153), wk = 0.0028490 k( 280) = ( 0.3947368 0.2388941 0.8633074), wk = 0.0028490 k( 281) = ( 0.4078947 0.2468573 0.8539995), wk = 0.0028490 k( 282) = ( 0.4210526 0.2548204 0.8446916), wk = 0.0028490 k( 283) = ( 0.4342105 0.2627836 0.8353837), wk = 0.0028490 k( 284) = ( 0.4473684 0.2707467 0.8260758), wk = 0.0028490 k( 285) = ( 0.4605263 0.2787098 0.8167679), wk = 0.0028490 k( 286) = ( 0.4736842 0.2866730 0.8074600), wk = 0.0028490 k( 287) = ( 0.4868421 0.2946361 0.7981521), wk = 0.0028490 k( 288) = ( 0.5000000 0.3025993 0.7888442), wk = 0.0028490 k( 289) = ( 0.5000000 0.3025993 0.7888442), wk = 0.0028490 k( 290) = ( 0.5000000 0.3025993 0.7709159), wk = 0.0028490 k( 291) = ( 0.5000000 0.3025993 0.7529876), wk = 0.0028490 k( 292) = ( 0.5000000 0.3025993 0.7350593), wk = 0.0028490 k( 293) = ( 0.5000000 0.3025993 0.7171311), wk = 0.0028490 k( 294) = ( 0.5000000 0.3025993 0.6992028), wk = 0.0028490 k( 295) = ( 0.5000000 0.3025993 0.6812745), wk = 0.0028490 k( 296) = ( 0.5000000 0.3025993 0.6633462), wk = 0.0028490 k( 297) = ( 0.5000000 0.3025993 0.6454180), wk = 0.0028490 k( 298) = ( 0.5000000 0.3025993 0.6274897), wk = 0.0028490 k( 299) = ( 0.5000000 0.3025993 0.6095614), wk = 0.0028490 k( 300) = ( 0.5000000 0.3025993 0.5916331), wk = 0.0028490 k( 301) = ( 0.5000000 0.3025993 0.5737049), wk = 0.0028490 k( 302) = ( 0.5000000 0.3025993 0.5557766), wk = 0.0028490 k( 303) = ( 0.5000000 0.3025993 0.5378483), wk = 0.0028490 k( 304) = ( 0.5000000 0.3025993 0.5199200), wk = 0.0028490 k( 305) = ( 0.5000000 0.3025993 0.5019917), wk = 0.0028490 k( 306) = ( 0.5000000 0.3025993 0.4840635), wk = 0.0028490 k( 307) = ( 0.5000000 0.3025993 0.4661352), wk = 0.0028490 k( 308) = ( 0.5000000 0.3025993 0.4482069), wk = 0.0028490 k( 309) = ( 0.5000000 0.3025993 0.4302786), wk = 0.0028490 k( 310) = ( 0.5000000 0.3025993 0.4123504), wk = 0.0028490 k( 311) = ( 0.5000000 0.3025993 0.3944221), wk = 0.0028490 k( 312) = ( 0.5000000 0.3025993 0.3764938), wk = 0.0028490 k( 313) = ( 0.5000000 0.3025993 0.3585655), wk = 0.0028490 k( 314) = ( 0.5000000 0.3025993 0.3406372), wk = 0.0028490 k( 315) = ( 0.5000000 0.3025993 0.3227090), wk = 0.0028490 k( 316) = ( 0.5000000 0.3025993 0.3047807), wk = 0.0028490 k( 317) = ( 0.5000000 0.3025993 0.2868524), wk = 0.0028490 k( 318) = ( 0.5000000 0.3025993 0.2689242), wk = 0.0028490 k( 319) = ( 0.5000000 0.3025993 0.2509959), wk = 0.0028490 k( 320) = ( 0.5000000 0.3025993 0.2330676), wk = 0.0028490 k( 321) = ( 0.5000000 0.3025993 0.2151393), wk = 0.0028490 k( 322) = ( 0.5000000 0.3025993 0.1972110), wk = 0.0028490 k( 323) = ( 0.5000000 0.3025993 0.1792828), wk = 0.0028490 k( 324) = ( 0.5000000 0.3025993 0.1613545), wk = 0.0028490 k( 325) = ( 0.5000000 0.3025993 0.1434262), wk = 0.0028490 k( 326) = ( 0.5000000 0.3025993 0.1254979), wk = 0.0028490 k( 327) = ( 0.5000000 0.3025993 0.1075697), wk = 0.0028490 k( 328) = ( 0.5000000 0.3025993 0.0896414), wk = 0.0028490 k( 329) = ( 0.5000000 0.3025993 0.0717131), wk = 0.0028490 k( 330) = ( 0.5000000 0.3025993 0.0537848), wk = 0.0028490 k( 331) = ( 0.5000000 0.3025993 0.0358566), wk = 0.0028490 k( 332) = ( 0.5000000 0.3025993 0.0179283), wk = 0.0028490 k( 333) = ( 0.5000000 0.3025993 0.0000000), wk = 0.0028490 k( 334) = ( 0.0000000 0.0000000 0.9656943), wk = 0.0028490 k( 335) = ( 0.0147059 0.0089000 0.9656943), wk = 0.0028490 k( 336) = ( 0.0294118 0.0178000 0.9656943), wk = 0.0028490 k( 337) = ( 0.0441177 0.0266999 0.9656943), wk = 0.0028490 k( 338) = ( 0.0588235 0.0355999 0.9656943), wk = 0.0028490 k( 339) = ( 0.0735294 0.0444999 0.9656943), wk = 0.0028490 k( 340) = ( 0.0882353 0.0533999 0.9656943), wk = 0.0028490 k( 341) = ( 0.1029412 0.0622998 0.9656943), wk = 0.0028490 k( 342) = ( 0.1176471 0.0711998 0.9656943), wk = 0.0028490 k( 343) = ( 0.1323529 0.0800998 0.9656943), wk = 0.0028490 k( 344) = ( 0.1470588 0.0889998 0.9656943), wk = 0.0028490 k( 345) = ( 0.1617647 0.0978998 0.9656943), wk = 0.0028490 k( 346) = ( 0.1764706 0.1067997 0.9656943), wk = 0.0028490 k( 347) = ( 0.1911765 0.1156997 0.9656943), wk = 0.0028490 k( 348) = ( 0.2058823 0.1245997 0.9656943), wk = 0.0028490 k( 349) = ( 0.2205882 0.1334997 0.9656943), wk = 0.0028490 k( 350) = ( 0.2352941 0.1423996 0.9656943), wk = 0.0028490 k( 351) = ( 0.2500000 0.1512996 0.9656943), wk = 0.0028490 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028490 k( 2) = ( 0.0000000 0.0000000 0.0092593), wk = 0.0028490 k( 3) = ( 0.0000000 0.0000000 0.0185185), wk = 0.0028490 k( 4) = ( 0.0000000 0.0000000 0.0277778), wk = 0.0028490 k( 5) = ( 0.0000000 0.0000000 0.0370370), wk = 0.0028490 k( 6) = ( 0.0000000 0.0000000 0.0462963), wk = 0.0028490 k( 7) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0028490 k( 8) = ( 0.0000000 0.0000000 0.0648148), wk = 0.0028490 k( 9) = ( 0.0000000 0.0000000 0.0740741), wk = 0.0028490 k( 10) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0028490 k( 11) = ( 0.0000000 0.0000000 0.0925926), wk = 0.0028490 k( 12) = ( 0.0000000 0.0000000 0.1018518), wk = 0.0028490 k( 13) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0028490 k( 14) = ( 0.0000000 0.0000000 0.1203704), wk = 0.0028490 k( 15) = ( 0.0000000 0.0000000 0.1296296), wk = 0.0028490 k( 16) = ( 0.0000000 0.0000000 0.1388889), wk = 0.0028490 k( 17) = ( 0.0000000 0.0000000 0.1481482), wk = 0.0028490 k( 18) = ( 0.0000000 0.0000000 0.1574074), wk = 0.0028490 k( 19) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0028490 k( 20) = ( 0.0000000 0.0000000 0.1759259), wk = 0.0028490 k( 21) = ( 0.0000000 0.0000000 0.1851852), wk = 0.0028490 k( 22) = ( 0.0000000 0.0000000 0.1944444), wk = 0.0028490 k( 23) = ( 0.0000000 0.0000000 0.2037037), wk = 0.0028490 k( 24) = ( 0.0000000 0.0000000 0.2129630), wk = 0.0028490 k( 25) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0028490 k( 26) = ( 0.0000000 0.0000000 0.2314815), wk = 0.0028490 k( 27) = ( 0.0000000 0.0000000 0.2407407), wk = 0.0028490 k( 28) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0028490 k( 29) = ( 0.0000000 0.0000000 0.2592593), wk = 0.0028490 k( 30) = ( 0.0000000 0.0000000 0.2685185), wk = 0.0028490 k( 31) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0028490 k( 32) = ( 0.0000000 0.0000000 0.2870370), wk = 0.0028490 k( 33) = ( 0.0000000 0.0000000 0.2962963), wk = 0.0028490 k( 34) = ( 0.0000000 0.0000000 0.3055556), wk = 0.0028490 k( 35) = ( 0.0000000 0.0000000 0.3148148), wk = 0.0028490 k( 36) = ( 0.0000000 0.0000000 0.3240741), wk = 0.0028490 k( 37) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0028490 k( 38) = ( 0.0000000 0.0000000 0.3425926), wk = 0.0028490 k( 39) = ( 0.0000000 0.0000000 0.3518518), wk = 0.0028490 k( 40) = ( 0.0000000 0.0000000 0.3611111), wk = 0.0028490 k( 41) = ( 0.0000000 0.0000000 0.3703704), wk = 0.0028490 k( 42) = ( 0.0000000 0.0000000 0.3796296), wk = 0.0028490 k( 43) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0028490 k( 44) = ( 0.0000000 0.0000000 0.3981481), wk = 0.0028490 k( 45) = ( 0.0000000 0.0000000 0.4074074), wk = 0.0028490 k( 46) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0028490 k( 47) = ( 0.0000000 0.0000000 0.4259259), wk = 0.0028490 k( 48) = ( 0.0000000 0.0000000 0.4351852), wk = 0.0028490 k( 49) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0028490 k( 50) = ( 0.0000000 0.0000000 0.4537037), wk = 0.0028490 k( 51) = ( 0.0000000 0.0000000 0.4629630), wk = 0.0028490 k( 52) = ( 0.0000000 0.0000000 0.4722222), wk = 0.0028490 k( 53) = ( 0.0000000 0.0000000 0.4814815), wk = 0.0028490 k( 54) = ( 0.0000000 0.0000000 0.4907407), wk = 0.0028490 k( 55) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028490 k( 56) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028490 k( 57) = ( -0.0091566 0.0091566 0.5000000), wk = 0.0028490 k( 58) = ( -0.0183133 0.0183133 0.5000000), wk = 0.0028490 k( 59) = ( -0.0274699 0.0274699 0.5000000), wk = 0.0028490 k( 60) = ( -0.0366265 0.0366265 0.5000000), wk = 0.0028490 k( 61) = ( -0.0457832 0.0457832 0.5000000), wk = 0.0028490 k( 62) = ( -0.0549398 0.0549398 0.5000000), wk = 0.0028490 k( 63) = ( -0.0640964 0.0640964 0.5000000), wk = 0.0028490 k( 64) = ( -0.0732531 0.0732531 0.5000000), wk = 0.0028490 k( 65) = ( -0.0824097 0.0824097 0.5000000), wk = 0.0028490 k( 66) = ( -0.0915663 0.0915663 0.5000000), wk = 0.0028490 k( 67) = ( -0.0915663 0.0915663 0.5000000), wk = 0.0028490 k( 68) = ( -0.0981540 0.0981540 0.4934124), wk = 0.0028490 k( 69) = ( -0.1047416 0.1047416 0.4868247), wk = 0.0028490 k( 70) = ( -0.1113292 0.1113292 0.4802371), wk = 0.0028490 k( 71) = ( -0.1179169 0.1179169 0.4736494), wk = 0.0028490 k( 72) = ( -0.1245045 0.1245045 0.4670618), wk = 0.0028490 k( 73) = ( -0.1310921 0.1310922 0.4604742), wk = 0.0028490 k( 74) = ( -0.1376798 0.1376798 0.4538865), wk = 0.0028490 k( 75) = ( -0.1442674 0.1442674 0.4472989), wk = 0.0028490 k( 76) = ( -0.1508551 0.1508551 0.4407112), wk = 0.0028490 k( 77) = ( -0.1574427 0.1574427 0.4341236), wk = 0.0028490 k( 78) = ( -0.1640303 0.1640304 0.4275360), wk = 0.0028490 k( 79) = ( -0.1706180 0.1706180 0.4209483), wk = 0.0028490 k( 80) = ( -0.1772056 0.1772056 0.4143607), wk = 0.0028490 k( 81) = ( -0.1837933 0.1837933 0.4077730), wk = 0.0028490 k( 82) = ( -0.1903809 0.1903809 0.4011854), wk = 0.0028490 k( 83) = ( -0.1969685 0.1969686 0.3945978), wk = 0.0028490 k( 84) = ( -0.2035562 0.2035562 0.3880101), wk = 0.0028490 k( 85) = ( -0.2101438 0.2101438 0.3814225), wk = 0.0028490 k( 86) = ( -0.2167315 0.2167315 0.3748348), wk = 0.0028490 k( 87) = ( -0.2233191 0.2233191 0.3682472), wk = 0.0028490 k( 88) = ( -0.2299067 0.2299067 0.3616596), wk = 0.0028490 k( 89) = ( -0.2364944 0.2364944 0.3550719), wk = 0.0028490 k( 90) = ( -0.2430820 0.2430820 0.3484843), wk = 0.0028490 k( 91) = ( -0.2496697 0.2496697 0.3418966), wk = 0.0028490 k( 92) = ( -0.2562573 0.2562573 0.3353090), wk = 0.0028490 k( 93) = ( -0.2628450 0.2628450 0.3287213), wk = 0.0028490 k( 94) = ( -0.2694326 0.2694326 0.3221337), wk = 0.0028490 k( 95) = ( -0.2760202 0.2760202 0.3155461), wk = 0.0028490 k( 96) = ( -0.2826079 0.2826079 0.3089584), wk = 0.0028490 k( 97) = ( -0.2891955 0.2891955 0.3023708), wk = 0.0028490 k( 98) = ( -0.2957831 0.2957832 0.2957831), wk = 0.0028490 k( 99) = ( -0.2957831 0.2957832 0.2957831), wk = 0.0028490 k( 100) = ( -0.2892102 0.2892102 0.2892102), wk = 0.0028490 k( 101) = ( -0.2826372 0.2826372 0.2826372), wk = 0.0028490 k( 102) = ( -0.2760643 0.2760643 0.2760643), wk = 0.0028490 k( 103) = ( -0.2694913 0.2694913 0.2694913), wk = 0.0028490 k( 104) = ( -0.2629184 0.2629184 0.2629184), wk = 0.0028490 k( 105) = ( -0.2563454 0.2563454 0.2563454), wk = 0.0028490 k( 106) = ( -0.2497724 0.2497724 0.2497724), wk = 0.0028490 k( 107) = ( -0.2431995 0.2431995 0.2431995), wk = 0.0028490 k( 108) = ( -0.2366265 0.2366265 0.2366265), wk = 0.0028490 k( 109) = ( -0.2300536 0.2300536 0.2300536), wk = 0.0028490 k( 110) = ( -0.2234806 0.2234806 0.2234806), wk = 0.0028490 k( 111) = ( -0.2169077 0.2169077 0.2169076), wk = 0.0028490 k( 112) = ( -0.2103347 0.2103347 0.2103347), wk = 0.0028490 k( 113) = ( -0.2037617 0.2037617 0.2037617), wk = 0.0028490 k( 114) = ( -0.1971888 0.1971888 0.1971888), wk = 0.0028490 k( 115) = ( -0.1906158 0.1906158 0.1906158), wk = 0.0028490 k( 116) = ( -0.1840429 0.1840428 0.1840429), wk = 0.0028490 k( 117) = ( -0.1774699 0.1774699 0.1774699), wk = 0.0028490 k( 118) = ( -0.1708969 0.1708969 0.1708969), wk = 0.0028490 k( 119) = ( -0.1643240 0.1643240 0.1643240), wk = 0.0028490 k( 120) = ( -0.1577510 0.1577510 0.1577510), wk = 0.0028490 k( 121) = ( -0.1511781 0.1511781 0.1511781), wk = 0.0028490 k( 122) = ( -0.1446051 0.1446051 0.1446051), wk = 0.0028490 k( 123) = ( -0.1380321 0.1380321 0.1380321), wk = 0.0028490 k( 124) = ( -0.1314592 0.1314592 0.1314592), wk = 0.0028490 k( 125) = ( -0.1248862 0.1248862 0.1248862), wk = 0.0028490 k( 126) = ( -0.1183133 0.1183133 0.1183133), wk = 0.0028490 k( 127) = ( -0.1117403 0.1117403 0.1117403), wk = 0.0028490 k( 128) = ( -0.1051673 0.1051673 0.1051673), wk = 0.0028490 k( 129) = ( -0.0985944 0.0985944 0.0985944), wk = 0.0028490 k( 130) = ( -0.0920214 0.0920214 0.0920214), wk = 0.0028490 k( 131) = ( -0.0854485 0.0854485 0.0854485), wk = 0.0028490 k( 132) = ( -0.0788755 0.0788755 0.0788755), wk = 0.0028490 k( 133) = ( -0.0723025 0.0723025 0.0723025), wk = 0.0028490 k( 134) = ( -0.0657296 0.0657296 0.0657296), wk = 0.0028490 k( 135) = ( -0.0591566 0.0591566 0.0591566), wk = 0.0028490 k( 136) = ( -0.0525837 0.0525837 0.0525837), wk = 0.0028490 k( 137) = ( -0.0460107 0.0460107 0.0460107), wk = 0.0028490 k( 138) = ( -0.0394378 0.0394377 0.0394378), wk = 0.0028490 k( 139) = ( -0.0328648 0.0328648 0.0328648), wk = 0.0028490 k( 140) = ( -0.0262918 0.0262918 0.0262918), wk = 0.0028490 k( 141) = ( -0.0197189 0.0197189 0.0197189), wk = 0.0028490 k( 142) = ( -0.0131459 0.0131459 0.0131459), wk = 0.0028490 k( 143) = ( -0.0065730 0.0065730 0.0065730), wk = 0.0028490 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028490 k( 145) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028490 k( 146) = ( 0.0151515 0.0151515 -0.0151515), wk = 0.0028490 k( 147) = ( 0.0303030 0.0303030 -0.0303030), wk = 0.0028490 k( 148) = ( 0.0454546 0.0454546 -0.0454546), wk = 0.0028490 k( 149) = ( 0.0606061 0.0606061 -0.0606061), wk = 0.0028490 k( 150) = ( 0.0757576 0.0757576 -0.0757576), wk = 0.0028490 k( 151) = ( 0.0909091 0.0909091 -0.0909091), wk = 0.0028490 k( 152) = ( 0.1060606 0.1060606 -0.1060606), wk = 0.0028490 k( 153) = ( 0.1212121 0.1212121 -0.1212121), wk = 0.0028490 k( 154) = ( 0.1363636 0.1363636 -0.1363636), wk = 0.0028490 k( 155) = ( 0.1515151 0.1515152 -0.1515151), wk = 0.0028490 k( 156) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0028490 k( 157) = ( 0.1818182 0.1818182 -0.1818182), wk = 0.0028490 k( 158) = ( 0.1969697 0.1969697 -0.1969697), wk = 0.0028490 k( 159) = ( 0.2121212 0.2121212 -0.2121212), wk = 0.0028490 k( 160) = ( 0.2272727 0.2272727 -0.2272727), wk = 0.0028490 k( 161) = ( 0.2424242 0.2424242 -0.2424242), wk = 0.0028490 k( 162) = ( 0.2575758 0.2575758 -0.2575758), wk = 0.0028490 k( 163) = ( 0.2727273 0.2727273 -0.2727273), wk = 0.0028490 k( 164) = ( 0.2878788 0.2878788 -0.2878788), wk = 0.0028490 k( 165) = ( 0.3030303 0.3030303 -0.3030303), wk = 0.0028490 k( 166) = ( 0.3181818 0.3181818 -0.3181818), wk = 0.0028490 k( 167) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0028490 k( 168) = ( 0.3484849 0.3484849 -0.3484849), wk = 0.0028490 k( 169) = ( 0.3636364 0.3636364 -0.3636364), wk = 0.0028490 k( 170) = ( 0.3787879 0.3787879 -0.3787879), wk = 0.0028490 k( 171) = ( 0.3939394 0.3939394 -0.3939394), wk = 0.0028490 k( 172) = ( 0.4090909 0.4090909 -0.4090909), wk = 0.0028490 k( 173) = ( 0.4242424 0.4242424 -0.4242424), wk = 0.0028490 k( 174) = ( 0.4393939 0.4393939 -0.4393939), wk = 0.0028490 k( 175) = ( 0.4545455 0.4545455 -0.4545455), wk = 0.0028490 k( 176) = ( 0.4696970 0.4696970 -0.4696970), wk = 0.0028490 k( 177) = ( 0.4848485 0.4848485 -0.4848485), wk = 0.0028490 k( 178) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0028490 k( 179) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0028490 k( 180) = ( 0.4934124 0.5065876 -0.4934124), wk = 0.0028490 k( 181) = ( 0.4868247 0.5131753 -0.4868247), wk = 0.0028490 k( 182) = ( 0.4802371 0.5197629 -0.4802371), wk = 0.0028490 k( 183) = ( 0.4736494 0.5263506 -0.4736494), wk = 0.0028490 k( 184) = ( 0.4670618 0.5329382 -0.4670618), wk = 0.0028490 k( 185) = ( 0.4604742 0.5395258 -0.4604742), wk = 0.0028490 k( 186) = ( 0.4538865 0.5461135 -0.4538865), wk = 0.0028490 k( 187) = ( 0.4472989 0.5527011 -0.4472989), wk = 0.0028490 k( 188) = ( 0.4407112 0.5592888 -0.4407112), wk = 0.0028490 k( 189) = ( 0.4341236 0.5658764 -0.4341236), wk = 0.0028490 k( 190) = ( 0.4275360 0.5724640 -0.4275360), wk = 0.0028490 k( 191) = ( 0.4209483 0.5790517 -0.4209483), wk = 0.0028490 k( 192) = ( 0.4143607 0.5856393 -0.4143607), wk = 0.0028490 k( 193) = ( 0.4077730 0.5922270 -0.4077730), wk = 0.0028490 k( 194) = ( 0.4011854 0.5988146 -0.4011854), wk = 0.0028490 k( 195) = ( 0.3945978 0.6054022 -0.3945978), wk = 0.0028490 k( 196) = ( 0.3880101 0.6119899 -0.3880101), wk = 0.0028490 k( 197) = ( 0.3814225 0.6185775 -0.3814225), wk = 0.0028490 k( 198) = ( 0.3748348 0.6251652 -0.3748348), wk = 0.0028490 k( 199) = ( 0.3682472 0.6317528 -0.3682472), wk = 0.0028490 k( 200) = ( 0.3616596 0.6383404 -0.3616596), wk = 0.0028490 k( 201) = ( 0.3550719 0.6449281 -0.3550719), wk = 0.0028490 k( 202) = ( 0.3484843 0.6515157 -0.3484843), wk = 0.0028490 k( 203) = ( 0.3418966 0.6581034 -0.3418966), wk = 0.0028490 k( 204) = ( 0.3353090 0.6646910 -0.3353090), wk = 0.0028490 k( 205) = ( 0.3287214 0.6712787 -0.3287214), wk = 0.0028490 k( 206) = ( 0.3221337 0.6778663 -0.3221337), wk = 0.0028490 k( 207) = ( 0.3155461 0.6844539 -0.3155461), wk = 0.0028490 k( 208) = ( 0.3089584 0.6910416 -0.3089584), wk = 0.0028490 k( 209) = ( 0.3023708 0.6976292 -0.3023708), wk = 0.0028490 k( 210) = ( 0.2957831 0.7042169 -0.2957832), wk = 0.0028490 k( 211) = ( 0.2957831 0.7042169 -0.2957832), wk = 0.0028490 k( 212) = ( 0.2793508 0.6928715 -0.2793508), wk = 0.0028490 k( 213) = ( 0.2629184 0.6815261 -0.2629184), wk = 0.0028490 k( 214) = ( 0.2464860 0.6701807 -0.2464860), wk = 0.0028490 k( 215) = ( 0.2300536 0.6588353 -0.2300536), wk = 0.0028490 k( 216) = ( 0.2136212 0.6474899 -0.2136212), wk = 0.0028490 k( 217) = ( 0.1971888 0.6361446 -0.1971888), wk = 0.0028490 k( 218) = ( 0.1807564 0.6247992 -0.1807564), wk = 0.0028490 k( 219) = ( 0.1643240 0.6134538 -0.1643240), wk = 0.0028490 k( 220) = ( 0.1478916 0.6021084 -0.1478916), wk = 0.0028490 k( 221) = ( 0.1314592 0.5907630 -0.1314592), wk = 0.0028490 k( 222) = ( 0.1150268 0.5794177 -0.1150268), wk = 0.0028490 k( 223) = ( 0.0985944 0.5680723 -0.0985944), wk = 0.0028490 k( 224) = ( 0.0821620 0.5567269 -0.0821620), wk = 0.0028490 k( 225) = ( 0.0657296 0.5453815 -0.0657296), wk = 0.0028490 k( 226) = ( 0.0492972 0.5340361 -0.0492972), wk = 0.0028490 k( 227) = ( 0.0328648 0.5226908 -0.0328648), wk = 0.0028490 k( 228) = ( 0.0164324 0.5113454 -0.0164324), wk = 0.0028490 k( 229) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028490 k( 230) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028490 k( 231) = ( 0.0065790 0.4934210 0.0065790), wk = 0.0028490 k( 232) = ( 0.0131579 0.4868421 0.0131579), wk = 0.0028490 k( 233) = ( 0.0197368 0.4802632 0.0197368), wk = 0.0028490 k( 234) = ( 0.0263158 0.4736842 0.0263158), wk = 0.0028490 k( 235) = ( 0.0328947 0.4671053 0.0328947), wk = 0.0028490 k( 236) = ( 0.0394737 0.4605263 0.0394737), wk = 0.0028490 k( 237) = ( 0.0460526 0.4539474 0.0460526), wk = 0.0028490 k( 238) = ( 0.0526316 0.4473684 0.0526316), wk = 0.0028490 k( 239) = ( 0.0592105 0.4407895 0.0592105), wk = 0.0028490 k( 240) = ( 0.0657895 0.4342105 0.0657895), wk = 0.0028490 k( 241) = ( 0.0723684 0.4276316 0.0723684), wk = 0.0028490 k( 242) = ( 0.0789474 0.4210526 0.0789474), wk = 0.0028490 k( 243) = ( 0.0855263 0.4144737 0.0855263), wk = 0.0028490 k( 244) = ( 0.0921053 0.4078947 0.0921053), wk = 0.0028490 k( 245) = ( 0.0986842 0.4013158 0.0986842), wk = 0.0028490 k( 246) = ( 0.1052632 0.3947368 0.1052632), wk = 0.0028490 k( 247) = ( 0.1118421 0.3881579 0.1118421), wk = 0.0028490 k( 248) = ( 0.1184210 0.3815790 0.1184210), wk = 0.0028490 k( 249) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0028490 k( 250) = ( 0.1315790 0.3684211 0.1315789), wk = 0.0028490 k( 251) = ( 0.1381579 0.3618421 0.1381579), wk = 0.0028490 k( 252) = ( 0.1447368 0.3552632 0.1447368), wk = 0.0028490 k( 253) = ( 0.1513158 0.3486842 0.1513158), wk = 0.0028490 k( 254) = ( 0.1578947 0.3421053 0.1578947), wk = 0.0028490 k( 255) = ( 0.1644737 0.3355263 0.1644737), wk = 0.0028490 k( 256) = ( 0.1710526 0.3289474 0.1710526), wk = 0.0028490 k( 257) = ( 0.1776316 0.3223684 0.1776316), wk = 0.0028490 k( 258) = ( 0.1842105 0.3157895 0.1842105), wk = 0.0028490 k( 259) = ( 0.1907895 0.3092105 0.1907895), wk = 0.0028490 k( 260) = ( 0.1973684 0.3026316 0.1973684), wk = 0.0028490 k( 261) = ( 0.2039474 0.2960526 0.2039474), wk = 0.0028490 k( 262) = ( 0.2105263 0.2894737 0.2105263), wk = 0.0028490 k( 263) = ( 0.2171053 0.2828947 0.2171053), wk = 0.0028490 k( 264) = ( 0.2236842 0.2763158 0.2236842), wk = 0.0028490 k( 265) = ( 0.2302632 0.2697368 0.2302632), wk = 0.0028490 k( 266) = ( 0.2368421 0.2631579 0.2368421), wk = 0.0028490 k( 267) = ( 0.2434210 0.2565790 0.2434210), wk = 0.0028490 k( 268) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0028490 k( 269) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0028490 k( 270) = ( 0.2631579 0.2631579 0.2320228), wk = 0.0028490 k( 271) = ( 0.2763158 0.2763158 0.2140456), wk = 0.0028490 k( 272) = ( 0.2894737 0.2894737 0.1960685), wk = 0.0028490 k( 273) = ( 0.3026316 0.3026316 0.1780913), wk = 0.0028490 k( 274) = ( 0.3157895 0.3157895 0.1601141), wk = 0.0028490 k( 275) = ( 0.3289474 0.3289474 0.1421370), wk = 0.0028490 k( 276) = ( 0.3421053 0.3421053 0.1241598), wk = 0.0028490 k( 277) = ( 0.3552632 0.3552632 0.1061826), wk = 0.0028490 k( 278) = ( 0.3684211 0.3684211 0.0882054), wk = 0.0028490 k( 279) = ( 0.3815789 0.3815789 0.0702283), wk = 0.0028490 k( 280) = ( 0.3947368 0.3947368 0.0522511), wk = 0.0028490 k( 281) = ( 0.4078947 0.4078947 0.0342739), wk = 0.0028490 k( 282) = ( 0.4210526 0.4210526 0.0162967), wk = 0.0028490 k( 283) = ( 0.4342105 0.4342105 -0.0016804), wk = 0.0028490 k( 284) = ( 0.4473684 0.4473684 -0.0196576), wk = 0.0028490 k( 285) = ( 0.4605263 0.4605263 -0.0376348), wk = 0.0028490 k( 286) = ( 0.4736842 0.4736842 -0.0556120), wk = 0.0028490 k( 287) = ( 0.4868421 0.4868421 -0.0735891), wk = 0.0028490 k( 288) = ( 0.5000000 0.5000000 -0.0915663), wk = 0.0028490 k( 289) = ( 0.5000000 0.5000000 -0.0915663), wk = 0.0028490 k( 290) = ( 0.5000000 0.5000000 -0.1008489), wk = 0.0028490 k( 291) = ( 0.5000000 0.5000000 -0.1101315), wk = 0.0028490 k( 292) = ( 0.5000000 0.5000000 -0.1194141), wk = 0.0028490 k( 293) = ( 0.5000000 0.5000000 -0.1286966), wk = 0.0028490 k( 294) = ( 0.5000000 0.5000000 -0.1379792), wk = 0.0028490 k( 295) = ( 0.5000000 0.5000000 -0.1472618), wk = 0.0028490 k( 296) = ( 0.5000000 0.5000000 -0.1565444), wk = 0.0028490 k( 297) = ( 0.5000000 0.5000000 -0.1658270), wk = 0.0028490 k( 298) = ( 0.5000000 0.5000000 -0.1751096), wk = 0.0028490 k( 299) = ( 0.5000000 0.5000000 -0.1843922), wk = 0.0028490 k( 300) = ( 0.5000000 0.5000000 -0.1936747), wk = 0.0028490 k( 301) = ( 0.5000000 0.5000000 -0.2029573), wk = 0.0028490 k( 302) = ( 0.5000000 0.5000000 -0.2122399), wk = 0.0028490 k( 303) = ( 0.5000000 0.5000000 -0.2215225), wk = 0.0028490 k( 304) = ( 0.5000000 0.5000000 -0.2308051), wk = 0.0028490 k( 305) = ( 0.5000000 0.5000000 -0.2400877), wk = 0.0028490 k( 306) = ( 0.5000000 0.5000000 -0.2493702), wk = 0.0028490 k( 307) = ( 0.5000000 0.5000000 -0.2586528), wk = 0.0028490 k( 308) = ( 0.5000000 0.5000000 -0.2679354), wk = 0.0028490 k( 309) = ( 0.5000000 0.5000000 -0.2772180), wk = 0.0028490 k( 310) = ( 0.5000000 0.5000000 -0.2865006), wk = 0.0028490 k( 311) = ( 0.5000000 0.5000000 -0.2957832), wk = 0.0028490 k( 312) = ( 0.5000000 0.5000000 -0.3050657), wk = 0.0028490 k( 313) = ( 0.5000000 0.5000000 -0.3143483), wk = 0.0028490 k( 314) = ( 0.5000000 0.5000000 -0.3236309), wk = 0.0028490 k( 315) = ( 0.5000000 0.5000000 -0.3329135), wk = 0.0028490 k( 316) = ( 0.5000000 0.5000000 -0.3421961), wk = 0.0028490 k( 317) = ( 0.5000000 0.5000000 -0.3514787), wk = 0.0028490 k( 318) = ( 0.5000000 0.5000000 -0.3607612), wk = 0.0028490 k( 319) = ( 0.5000000 0.5000000 -0.3700438), wk = 0.0028490 k( 320) = ( 0.5000000 0.5000000 -0.3793264), wk = 0.0028490 k( 321) = ( 0.5000000 0.5000000 -0.3886090), wk = 0.0028490 k( 322) = ( 0.5000000 0.5000000 -0.3978916), wk = 0.0028490 k( 323) = ( 0.5000000 0.5000000 -0.4071742), wk = 0.0028490 k( 324) = ( 0.5000000 0.5000000 -0.4164567), wk = 0.0028490 k( 325) = ( 0.5000000 0.5000000 -0.4257393), wk = 0.0028490 k( 326) = ( 0.5000000 0.5000000 -0.4350219), wk = 0.0028490 k( 327) = ( 0.5000000 0.5000000 -0.4443045), wk = 0.0028490 k( 328) = ( 0.5000000 0.5000000 -0.4535871), wk = 0.0028490 k( 329) = ( 0.5000000 0.5000000 -0.4628697), wk = 0.0028490 k( 330) = ( 0.5000000 0.5000000 -0.4721523), wk = 0.0028490 k( 331) = ( 0.5000000 0.5000000 -0.4814348), wk = 0.0028490 k( 332) = ( 0.5000000 0.5000000 -0.4907174), wk = 0.0028490 k( 333) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0028490 k( 334) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028490 k( 335) = ( 0.0147059 0.0147059 0.4852941), wk = 0.0028490 k( 336) = ( 0.0294118 0.0294118 0.4705882), wk = 0.0028490 k( 337) = ( 0.0441177 0.0441177 0.4558823), wk = 0.0028490 k( 338) = ( 0.0588235 0.0588235 0.4411765), wk = 0.0028490 k( 339) = ( 0.0735294 0.0735294 0.4264706), wk = 0.0028490 k( 340) = ( 0.0882353 0.0882353 0.4117647), wk = 0.0028490 k( 341) = ( 0.1029412 0.1029412 0.3970588), wk = 0.0028490 k( 342) = ( 0.1176471 0.1176471 0.3823529), wk = 0.0028490 k( 343) = ( 0.1323529 0.1323529 0.3676471), wk = 0.0028490 k( 344) = ( 0.1470588 0.1470588 0.3529412), wk = 0.0028490 k( 345) = ( 0.1617647 0.1617647 0.3382353), wk = 0.0028490 k( 346) = ( 0.1764706 0.1764706 0.3235294), wk = 0.0028490 k( 347) = ( 0.1911765 0.1911765 0.3088235), wk = 0.0028490 k( 348) = ( 0.2058823 0.2058823 0.2941177), wk = 0.0028490 k( 349) = ( 0.2205882 0.2205882 0.2794118), wk = 0.0028490 k( 350) = ( 0.2352941 0.2352941 0.2647059), wk = 0.0028490 k( 351) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0028490 Dense grid: 51311 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 22483 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.07 Mb ( 114, 40) NL pseudopotentials 0.15 Mb ( 57, 170) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1069) G-vector shells 0.00 Mb ( 501) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.28 Mb ( 114, 160) Each subspace H/S matrix 0.39 Mb ( 160, 160) Each matrix 0.21 Mb ( 170, 2, 40) The potential is recalculated from file : ./YSi3Ir.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 45.6 secs Computing kpt #: 2 total cpu time spent up to now is 47.1 secs Computing kpt #: 3 total cpu time spent up to now is 48.4 secs Computing kpt #: 4 total cpu time spent up to now is 49.8 secs Computing kpt #: 5 total cpu time spent up to now is 51.3 secs Computing kpt #: 6 total cpu time spent up to now is 52.7 secs Computing kpt #: 7 total cpu time spent up to now is 54.3 secs Computing kpt #: 8 total cpu time spent up to now is 55.8 secs Computing kpt #: 9 total cpu time spent up to now is 57.5 secs Computing kpt #: 10 total cpu time spent up to now is 59.2 secs Computing kpt #: 11 total cpu time spent up to now is 60.9 secs Computing kpt #: 12 total cpu time spent up to now is 62.7 secs Computing kpt #: 13 total cpu time spent up to now is 65.2 secs Computing kpt #: 14 total cpu time spent up to now is 67.9 secs Computing kpt #: 15 total cpu time spent up to now is 70.3 secs Computing kpt #: 16 total cpu time spent up to now is 72.2 secs Computing kpt #: 17 total cpu time spent up to now is 74.0 secs Computing kpt #: 18 total cpu time spent up to now is 75.7 secs Computing kpt #: 19 total cpu time spent up to now is 77.4 secs Computing kpt #: 20 total cpu time spent up to now is 79.2 secs Computing kpt #: 21 total cpu time spent up to now is 81.0 secs Computing kpt #: 22 total cpu time spent up to now is 82.7 secs Computing kpt #: 23 total cpu time spent up to now is 84.5 secs Computing kpt #: 24 total cpu time spent up to now is 86.4 secs Computing kpt #: 25 total cpu time spent up to now is 88.3 secs Computing kpt #: 26 total cpu time spent up to now is 90.4 secs Computing kpt #: 27 total cpu time spent up to now is 92.5 secs Computing kpt #: 28 total cpu time spent up to now is 95.4 secs Computing kpt #: 29 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 98.5 secs Computing kpt #: 30 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 101.6 secs Computing kpt #: 31 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 104.7 secs Computing kpt #: 32 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 107.8 secs Computing kpt #: 33 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 110.9 secs Computing kpt #: 34 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 114.0 secs Computing kpt #: 35 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 117.0 secs Computing kpt #: 36 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 119.9 secs Computing kpt #: 37 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 122.9 secs Computing kpt #: 38 total cpu time spent up to now is 125.6 secs Computing kpt #: 39 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 128.6 secs Computing kpt #: 40 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 131.4 secs Computing kpt #: 41 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 134.3 secs Computing kpt #: 42 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 137.3 secs Computing kpt #: 43 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 140.2 secs Computing kpt #: 44 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 143.1 secs Computing kpt #: 45 total cpu time spent up to now is 145.6 secs Computing kpt #: 46 total cpu time spent up to now is 147.9 secs Computing kpt #: 47 total cpu time spent up to now is 150.3 secs Computing kpt #: 48 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 153.3 secs Computing kpt #: 49 total cpu time spent up to now is 155.7 secs Computing kpt #: 50 total cpu time spent up to now is 158.0 secs Computing kpt #: 51 total cpu time spent up to now is 160.2 secs Computing kpt #: 52 total cpu time spent up to now is 162.3 secs Computing kpt #: 53 total cpu time spent up to now is 164.1 secs Computing kpt #: 54 total cpu time spent up to now is 165.8 secs Computing kpt #: 55 total cpu time spent up to now is 167.3 secs Computing kpt #: 56 total cpu time spent up to now is 168.9 secs Computing kpt #: 57 total cpu time spent up to now is 170.6 secs Computing kpt #: 58 total cpu time spent up to now is 172.4 secs Computing kpt #: 59 total cpu time spent up to now is 174.3 secs Computing kpt #: 60 total cpu time spent up to now is 175.9 secs Computing kpt #: 61 total cpu time spent up to now is 177.6 secs Computing kpt #: 62 total cpu time spent up to now is 179.3 secs Computing kpt #: 63 total cpu time spent up to now is 181.2 secs Computing kpt #: 64 total cpu time spent up to now is 183.3 secs Computing kpt #: 65 total cpu time spent up to now is 185.4 secs Computing kpt #: 66 total cpu time spent up to now is 187.6 secs Computing kpt #: 67 total cpu time spent up to now is 189.8 secs Computing kpt #: 68 total cpu time spent up to now is 192.2 secs Computing kpt #: 69 total cpu time spent up to now is 194.6 secs Computing kpt #: 70 total cpu time spent up to now is 196.5 secs Computing kpt #: 71 total cpu time spent up to now is 198.1 secs Computing kpt #: 72 total cpu time spent up to now is 199.7 secs Computing kpt #: 73 total cpu time spent up to now is 201.1 secs Computing kpt #: 74 total cpu time spent up to now is 202.6 secs Computing kpt #: 75 total cpu time spent up to now is 204.1 secs Computing kpt #: 76 total cpu time spent up to now is 205.6 secs Computing kpt #: 77 total cpu time spent up to now is 207.0 secs Computing kpt #: 78 total cpu time spent up to now is 208.5 secs Computing kpt #: 79 total cpu time spent up to now is 209.9 secs Computing kpt #: 80 total cpu time spent up to now is 211.4 secs Computing kpt #: 81 total cpu time spent up to now is 212.9 secs Computing kpt #: 82 total cpu time spent up to now is 214.4 secs Computing kpt #: 83 total cpu time spent up to now is 215.9 secs Computing kpt #: 84 total cpu time spent up to now is 217.4 secs Computing kpt #: 85 total cpu time spent up to now is 218.9 secs Computing kpt #: 86 total cpu time spent up to now is 220.4 secs Computing kpt #: 87 total cpu time spent up to now is 222.1 secs Computing kpt #: 88 total cpu time spent up to now is 223.7 secs Computing kpt #: 89 total cpu time spent up to now is 225.3 secs Computing kpt #: 90 total cpu time spent up to now is 226.9 secs Computing kpt #: 91 total cpu time spent up to now is 228.6 secs Computing kpt #: 92 total cpu time spent up to now is 230.2 secs Computing kpt #: 93 total cpu time spent up to now is 232.0 secs Computing kpt #: 94 total cpu time spent up to now is 233.8 secs Computing kpt #: 95 total cpu time spent up to now is 235.8 secs Computing kpt #: 96 total cpu time spent up to now is 237.6 secs Computing kpt #: 97 total cpu time spent up to now is 239.5 secs Computing kpt #: 98 total cpu time spent up to now is 241.3 secs Computing kpt #: 99 total cpu time spent up to now is 243.0 secs Computing kpt #: 100 total cpu time spent up to now is 244.9 secs Computing kpt #: 101 total cpu time spent up to now is 246.6 secs Computing kpt #: 102 total cpu time spent up to now is 248.4 secs Computing kpt #: 103 total cpu time spent up to now is 250.1 secs Computing kpt #: 104 total cpu time spent up to now is 252.0 secs Computing kpt #: 105 total cpu time spent up to now is 253.8 secs Computing kpt #: 106 total cpu time spent up to now is 255.8 secs Computing kpt #: 107 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 258.9 secs Computing kpt #: 108 total cpu time spent up to now is 261.7 secs Computing kpt #: 109 total cpu time spent up to now is 264.2 secs Computing kpt #: 110 total cpu time spent up to now is 266.3 secs Computing kpt #: 111 total cpu time spent up to now is 268.3 secs Computing kpt #: 112 total cpu time spent up to now is 270.2 secs Computing kpt #: 113 total cpu time spent up to now is 271.9 secs Computing kpt #: 114 total cpu time spent up to now is 273.6 secs Computing kpt #: 115 total cpu time spent up to now is 275.2 secs Computing kpt #: 116 total cpu time spent up to now is 276.8 secs Computing kpt #: 117 total cpu time spent up to now is 278.2 secs Computing kpt #: 118 total cpu time spent up to now is 279.8 secs Computing kpt #: 119 total cpu time spent up to now is 281.3 secs Computing kpt #: 120 total cpu time spent up to now is 282.9 secs Computing kpt #: 121 total cpu time spent up to now is 284.4 secs Computing kpt #: 122 total cpu time spent up to now is 285.9 secs Computing kpt #: 123 total cpu time spent up to now is 287.5 secs Computing kpt #: 124 total cpu time spent up to now is 289.0 secs Computing kpt #: 125 total cpu time spent up to now is 290.6 secs Computing kpt #: 126 total cpu time spent up to now is 292.3 secs Computing kpt #: 127 total cpu time spent up to now is 294.0 secs Computing kpt #: 128 total cpu time spent up to now is 295.7 secs Computing kpt #: 129 total cpu time spent up to now is 297.6 secs Computing kpt #: 130 total cpu time spent up to now is 299.6 secs Computing kpt #: 131 total cpu time spent up to now is 301.8 secs Computing kpt #: 132 total cpu time spent up to now is 304.6 secs Computing kpt #: 133 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 307.7 secs Computing kpt #: 134 total cpu time spent up to now is 309.9 secs Computing kpt #: 135 total cpu time spent up to now is 311.8 secs Computing kpt #: 136 total cpu time spent up to now is 313.5 secs Computing kpt #: 137 total cpu time spent up to now is 315.1 secs Computing kpt #: 138 total cpu time spent up to now is 316.6 secs Computing kpt #: 139 total cpu time spent up to now is 318.1 secs Computing kpt #: 140 total cpu time spent up to now is 319.5 secs Computing kpt #: 141 total cpu time spent up to now is 320.9 secs Computing kpt #: 142 total cpu time spent up to now is 322.3 secs Computing kpt #: 143 total cpu time spent up to now is 323.5 secs Computing kpt #: 144 total cpu time spent up to now is 324.8 secs Computing kpt #: 145 total cpu time spent up to now is 326.0 secs Computing kpt #: 146 total cpu time spent up to now is 327.2 secs Computing kpt #: 147 total cpu time spent up to now is 328.4 secs Computing kpt #: 148 total cpu time spent up to now is 329.7 secs Computing kpt #: 149 total cpu time spent up to now is 330.9 secs Computing kpt #: 150 total cpu time spent up to now is 332.1 secs Computing kpt #: 151 total cpu time spent up to now is 333.3 secs Computing kpt #: 152 total cpu time spent up to now is 334.5 secs Computing kpt #: 153 total cpu time spent up to now is 335.8 secs Computing kpt #: 154 total cpu time spent up to now is 337.0 secs Computing kpt #: 155 total cpu time spent up to now is 338.2 secs Computing kpt #: 156 total cpu time spent up to now is 339.5 secs Computing kpt #: 157 total cpu time spent up to now is 340.9 secs Computing kpt #: 158 total cpu time spent up to now is 342.3 secs Computing kpt #: 159 total cpu time spent up to now is 343.6 secs Computing kpt #: 160 total cpu time spent up to now is 344.9 secs Computing kpt #: 161 total cpu time spent up to now is 346.1 secs Computing kpt #: 162 total cpu time spent up to now is 347.7 secs Computing kpt #: 163 total cpu time spent up to now is 348.9 secs Computing kpt #: 164 total cpu time spent up to now is 350.2 secs Computing kpt #: 165 total cpu time spent up to now is 351.4 secs Computing kpt #: 166 total cpu time spent up to now is 352.7 secs Computing kpt #: 167 total cpu time spent up to now is 354.0 secs Computing kpt #: 168 total cpu time spent up to now is 355.3 secs Computing kpt #: 169 total cpu time spent up to now is 356.4 secs Computing kpt #: 170 total cpu time spent up to now is 357.6 secs Computing kpt #: 171 total cpu time spent up to now is 358.8 secs Computing kpt #: 172 total cpu time spent up to now is 360.0 secs Computing kpt #: 173 total cpu time spent up to now is 361.2 secs Computing kpt #: 174 total cpu time spent up to now is 362.4 secs Computing kpt #: 175 total cpu time spent up to now is 364.4 secs Computing kpt #: 176 total cpu time spent up to now is 366.4 secs Computing kpt #: 177 total cpu time spent up to now is 368.5 secs Computing kpt #: 178 total cpu time spent up to now is 369.9 secs Computing kpt #: 179 total cpu time spent up to now is 371.3 secs Computing kpt #: 180 total cpu time spent up to now is 372.6 secs Computing kpt #: 181 total cpu time spent up to now is 373.8 secs Computing kpt #: 182 total cpu time spent up to now is 375.1 secs Computing kpt #: 183 total cpu time spent up to now is 376.3 secs Computing kpt #: 184 total cpu time spent up to now is 377.8 secs Computing kpt #: 185 total cpu time spent up to now is 379.1 secs Computing kpt #: 186 total cpu time spent up to now is 380.5 secs Computing kpt #: 187 total cpu time spent up to now is 382.0 secs Computing kpt #: 188 total cpu time spent up to now is 383.6 secs Computing kpt #: 189 total cpu time spent up to now is 385.4 secs Computing kpt #: 190 total cpu time spent up to now is 387.3 secs Computing kpt #: 191 total cpu time spent up to now is 389.0 secs Computing kpt #: 192 total cpu time spent up to now is 390.9 secs Computing kpt #: 193 total cpu time spent up to now is 393.3 secs Computing kpt #: 194 total cpu time spent up to now is 395.6 secs Computing kpt #: 195 total cpu time spent up to now is 398.1 secs Computing kpt #: 196 total cpu time spent up to now is 400.5 secs Computing kpt #: 197 total cpu time spent up to now is 402.5 secs Computing kpt #: 198 total cpu time spent up to now is 404.3 secs Computing kpt #: 199 total cpu time spent up to now is 406.1 secs Computing kpt #: 200 total cpu time spent up to now is 407.8 secs Computing kpt #: 201 total cpu time spent up to now is 409.5 secs Computing kpt #: 202 total cpu time spent up to now is 411.2 secs Computing kpt #: 203 total cpu time spent up to now is 412.9 secs Computing kpt #: 204 total cpu time spent up to now is 414.6 secs Computing kpt #: 205 total cpu time spent up to now is 416.7 secs Computing kpt #: 206 total cpu time spent up to now is 419.1 secs Computing kpt #: 207 total cpu time spent up to now is 421.0 secs Computing kpt #: 208 total cpu time spent up to now is 422.8 secs Computing kpt #: 209 total cpu time spent up to now is 424.7 secs Computing kpt #: 210 total cpu time spent up to now is 426.5 secs Computing kpt #: 211 total cpu time spent up to now is 428.2 secs Computing kpt #: 212 total cpu time spent up to now is 430.0 secs Computing kpt #: 213 total cpu time spent up to now is 431.7 secs Computing kpt #: 214 total cpu time spent up to now is 433.5 secs Computing kpt #: 215 total cpu time spent up to now is 435.2 secs Computing kpt #: 216 total cpu time spent up to now is 437.0 secs Computing kpt #: 217 total cpu time spent up to now is 438.8 secs Computing kpt #: 218 total cpu time spent up to now is 440.4 secs Computing kpt #: 219 total cpu time spent up to now is 442.0 secs Computing kpt #: 220 total cpu time spent up to now is 443.7 secs Computing kpt #: 221 total cpu time spent up to now is 445.3 secs Computing kpt #: 222 total cpu time spent up to now is 446.8 secs Computing kpt #: 223 total cpu time spent up to now is 448.4 secs Computing kpt #: 224 total cpu time spent up to now is 449.9 secs Computing kpt #: 225 total cpu time spent up to now is 451.3 secs Computing kpt #: 226 total cpu time spent up to now is 452.8 secs Computing kpt #: 227 total cpu time spent up to now is 454.2 secs Computing kpt #: 228 total cpu time spent up to now is 455.7 secs Computing kpt #: 229 total cpu time spent up to now is 457.2 secs Computing kpt #: 230 total cpu time spent up to now is 458.6 secs Computing kpt #: 231 total cpu time spent up to now is 460.1 secs Computing kpt #: 232 total cpu time spent up to now is 461.6 secs Computing kpt #: 233 total cpu time spent up to now is 463.2 secs Computing kpt #: 234 total cpu time spent up to now is 464.6 secs Computing kpt #: 235 total cpu time spent up to now is 466.2 secs Computing kpt #: 236 total cpu time spent up to now is 467.7 secs Computing kpt #: 237 total cpu time spent up to now is 469.2 secs Computing kpt #: 238 total cpu time spent up to now is 470.7 secs Computing kpt #: 239 total cpu time spent up to now is 472.3 secs Computing kpt #: 240 total cpu time spent up to now is 473.9 secs Computing kpt #: 241 total cpu time spent up to now is 475.5 secs Computing kpt #: 242 total cpu time spent up to now is 477.1 secs Computing kpt #: 243 total cpu time spent up to now is 478.9 secs Computing kpt #: 244 total cpu time spent up to now is 480.7 secs Computing kpt #: 245 total cpu time spent up to now is 482.6 secs Computing kpt #: 246 total cpu time spent up to now is 484.3 secs Computing kpt #: 247 total cpu time spent up to now is 486.1 secs Computing kpt #: 248 total cpu time spent up to now is 487.8 secs Computing kpt #: 249 total cpu time spent up to now is 489.4 secs Computing kpt #: 250 total cpu time spent up to now is 491.0 secs Computing kpt #: 251 total cpu time spent up to now is 492.6 secs Computing kpt #: 252 total cpu time spent up to now is 494.1 secs Computing kpt #: 253 total cpu time spent up to now is 495.6 secs Computing kpt #: 254 total cpu time spent up to now is 497.2 secs Computing kpt #: 255 total cpu time spent up to now is 498.6 secs Computing kpt #: 256 total cpu time spent up to now is 500.1 secs Computing kpt #: 257 total cpu time spent up to now is 501.6 secs Computing kpt #: 258 total cpu time spent up to now is 503.2 secs Computing kpt #: 259 total cpu time spent up to now is 504.8 secs Computing kpt #: 260 total cpu time spent up to now is 506.4 secs Computing kpt #: 261 total cpu time spent up to now is 508.0 secs Computing kpt #: 262 total cpu time spent up to now is 509.7 secs Computing kpt #: 263 total cpu time spent up to now is 511.4 secs Computing kpt #: 264 total cpu time spent up to now is 513.3 secs Computing kpt #: 265 total cpu time spent up to now is 515.4 secs Computing kpt #: 266 total cpu time spent up to now is 517.6 secs Computing kpt #: 267 total cpu time spent up to now is 519.7 secs Computing kpt #: 268 total cpu time spent up to now is 521.8 secs Computing kpt #: 269 total cpu time spent up to now is 523.9 secs Computing kpt #: 270 total cpu time spent up to now is 526.0 secs Computing kpt #: 271 total cpu time spent up to now is 528.1 secs Computing kpt #: 272 total cpu time spent up to now is 530.1 secs Computing kpt #: 273 total cpu time spent up to now is 532.1 secs Computing kpt #: 274 total cpu time spent up to now is 534.2 secs Computing kpt #: 275 total cpu time spent up to now is 536.1 secs Computing kpt #: 276 total cpu time spent up to now is 537.9 secs Computing kpt #: 277 total cpu time spent up to now is 539.8 secs Computing kpt #: 278 total cpu time spent up to now is 541.5 secs Computing kpt #: 279 total cpu time spent up to now is 543.3 secs Computing kpt #: 280 total cpu time spent up to now is 545.0 secs Computing kpt #: 281 total cpu time spent up to now is 546.6 secs Computing kpt #: 282 total cpu time spent up to now is 548.2 secs Computing kpt #: 283 total cpu time spent up to now is 549.7 secs Computing kpt #: 284 total cpu time spent up to now is 551.6 secs Computing kpt #: 285 total cpu time spent up to now is 553.6 secs Computing kpt #: 286 total cpu time spent up to now is 555.6 secs Computing kpt #: 287 total cpu time spent up to now is 557.9 secs Computing kpt #: 288 total cpu time spent up to now is 560.2 secs Computing kpt #: 289 total cpu time spent up to now is 562.4 secs Computing kpt #: 290 total cpu time spent up to now is 564.9 secs Computing kpt #: 291 total cpu time spent up to now is 566.9 secs Computing kpt #: 292 total cpu time spent up to now is 568.7 secs Computing kpt #: 293 total cpu time spent up to now is 570.3 secs Computing kpt #: 294 total cpu time spent up to now is 571.8 secs Computing kpt #: 295 total cpu time spent up to now is 573.3 secs Computing kpt #: 296 total cpu time spent up to now is 574.8 secs Computing kpt #: 297 total cpu time spent up to now is 576.2 secs Computing kpt #: 298 total cpu time spent up to now is 577.7 secs Computing kpt #: 299 total cpu time spent up to now is 579.1 secs Computing kpt #: 300 total cpu time spent up to now is 580.5 secs Computing kpt #: 301 total cpu time spent up to now is 582.2 secs Computing kpt #: 302 total cpu time spent up to now is 583.7 secs Computing kpt #: 303 total cpu time spent up to now is 585.1 secs Computing kpt #: 304 total cpu time spent up to now is 586.6 secs Computing kpt #: 305 total cpu time spent up to now is 588.0 secs Computing kpt #: 306 total cpu time spent up to now is 589.5 secs Computing kpt #: 307 total cpu time spent up to now is 590.9 secs Computing kpt #: 308 total cpu time spent up to now is 592.4 secs Computing kpt #: 309 total cpu time spent up to now is 593.9 secs Computing kpt #: 310 total cpu time spent up to now is 595.3 secs Computing kpt #: 311 total cpu time spent up to now is 596.7 secs Computing kpt #: 312 total cpu time spent up to now is 598.2 secs Computing kpt #: 313 total cpu time spent up to now is 599.6 secs Computing kpt #: 314 total cpu time spent up to now is 601.0 secs Computing kpt #: 315 total cpu time spent up to now is 602.4 secs Computing kpt #: 316 total cpu time spent up to now is 603.8 secs Computing kpt #: 317 total cpu time spent up to now is 605.3 secs Computing kpt #: 318 total cpu time spent up to now is 606.8 secs Computing kpt #: 319 total cpu time spent up to now is 608.3 secs Computing kpt #: 320 total cpu time spent up to now is 609.8 secs Computing kpt #: 321 total cpu time spent up to now is 611.3 secs Computing kpt #: 322 total cpu time spent up to now is 612.9 secs Computing kpt #: 323 total cpu time spent up to now is 614.4 secs Computing kpt #: 324 total cpu time spent up to now is 615.9 secs Computing kpt #: 325 total cpu time spent up to now is 617.4 secs Computing kpt #: 326 total cpu time spent up to now is 618.8 secs Computing kpt #: 327 total cpu time spent up to now is 620.2 secs Computing kpt #: 328 total cpu time spent up to now is 621.5 secs Computing kpt #: 329 total cpu time spent up to now is 622.9 secs Computing kpt #: 330 total cpu time spent up to now is 624.2 secs Computing kpt #: 331 total cpu time spent up to now is 625.4 secs Computing kpt #: 332 total cpu time spent up to now is 626.6 secs Computing kpt #: 333 total cpu time spent up to now is 627.8 secs Computing kpt #: 334 total cpu time spent up to now is 629.5 secs Computing kpt #: 335 total cpu time spent up to now is 631.1 secs Computing kpt #: 336 total cpu time spent up to now is 632.6 secs Computing kpt #: 337 total cpu time spent up to now is 634.3 secs Computing kpt #: 338 total cpu time spent up to now is 635.9 secs Computing kpt #: 339 total cpu time spent up to now is 637.5 secs Computing kpt #: 340 total cpu time spent up to now is 639.3 secs Computing kpt #: 341 total cpu time spent up to now is 641.0 secs Computing kpt #: 342 total cpu time spent up to now is 642.6 secs Computing kpt #: 343 total cpu time spent up to now is 644.3 secs Computing kpt #: 344 total cpu time spent up to now is 646.1 secs Computing kpt #: 345 total cpu time spent up to now is 648.0 secs Computing kpt #: 346 total cpu time spent up to now is 650.0 secs Computing kpt #: 347 total cpu time spent up to now is 651.9 secs Computing kpt #: 348 total cpu time spent up to now is 653.9 secs Computing kpt #: 349 total cpu time spent up to now is 655.9 secs Computing kpt #: 350 total cpu time spent up to now is 658.0 secs Computing kpt #: 351 total cpu time spent up to now is 660.1 secs ethr = 3.13E-11, avg # of iterations = 46.9 total cpu time spent up to now is 660.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2807 PWs) bands (ev): -30.3094 -30.3094 -11.3078 -11.3078 -9.9052 -9.9052 -9.8388 -9.8388 -0.0022 -0.0022 5.3450 5.3450 5.5776 5.5776 6.7646 6.7646 7.0098 7.0098 7.8407 7.8407 9.0670 9.0670 9.3550 9.3550 9.4665 9.4665 10.6858 10.6858 10.9633 10.9633 12.4279 12.4279 12.8690 12.8690 13.1066 13.1066 14.6806 14.6806 15.0250 15.0250 k = 0.0000 0.0000 0.0179 ( 2807 PWs) bands (ev): -30.3094 -30.3094 -11.3080 -11.3077 -9.9054 -9.9051 -9.8389 -9.8389 -0.0011 -0.0003 5.3450 5.3457 5.5681 5.5808 6.7621 6.7652 6.9977 7.0191 7.8393 7.8485 9.0660 9.0674 9.3517 9.3614 9.4417 9.4896 10.6652 10.7104 10.9531 10.9770 12.4105 12.4285 12.8552 12.8565 13.1061 13.1268 14.6824 14.6846 15.0320 15.0327 k = 0.0000 0.0000 0.0358 ( 2803 PWs) bands (ev): -30.3094 -30.3094 -11.3082 -11.3077 -9.9057 -9.9049 -9.8392 -9.8392 0.0030 0.0047 5.3459 5.3473 5.5525 5.5775 6.7581 6.7631 6.9829 7.0264 7.8445 7.8625 9.0646 9.0662 9.3526 9.3686 9.4176 9.5101 10.6493 10.7377 10.9469 10.9938 12.3770 12.4110 12.8185 12.8265 13.1240 13.1576 14.6901 14.6943 15.0529 15.0546 k = 0.0000 0.0000 0.0536 ( 2803 PWs) bands (ev): -30.3094 -30.3094 -11.3085 -11.3078 -9.9059 -9.9048 -9.8396 -9.8396 0.0103 0.0127 5.3475 5.3497 5.5313 5.5677 6.7530 6.7578 6.9656 7.0326 7.8558 7.8821 9.0623 9.0626 9.3584 9.3664 9.4050 9.5279 10.6385 10.7662 10.9457 11.0133 12.3278 12.3735 12.7713 12.7885 13.1522 13.1908 14.7034 14.7092 15.0861 15.0890 k = 0.0000 0.0000 0.0715 ( 2805 PWs) bands (ev): -30.3093 -30.3093 -11.3089 -11.3079 -9.9062 -9.9048 -9.8401 -9.8401 0.0205 0.0238 5.3498 5.3529 5.5047 5.5515 6.7464 6.7488 6.9469 7.0386 7.8726 7.9064 9.0548 9.0591 9.3458 9.3696 9.4141 9.5429 10.6332 10.7938 10.9507 11.0352 12.2637 12.3148 12.7233 12.7482 13.1848 13.2231 14.7219 14.7287 15.1289 15.1334 k = 0.0000 0.0000 0.0894 ( 2817 PWs) bands (ev): -30.3093 -30.3093 -11.3093 -11.3080 -9.9066 -9.9047 -9.8409 -9.8409 0.0338 0.0379 5.3527 5.3568 5.4732 5.5290 6.7360 6.7379 6.9282 7.0453 7.8942 7.9345 9.0429 9.0528 9.3204 9.3858 9.4326 9.5556 10.6332 10.8179 10.9635 11.0589 12.1866 12.2361 12.6790 12.7079 13.2198 13.2536 14.7450 14.7524 15.1781 15.1844 k = 0.0000 0.0000 0.1073 ( 2811 PWs) bands (ev): -30.3092 -30.3092 -11.3098 -11.3083 -9.9069 -9.9047 -9.8418 -9.8417 0.0501 0.0550 5.3561 5.3614 5.4375 5.5009 6.7195 6.7264 6.9115 7.0530 7.9197 7.9654 9.0265 9.0422 9.2962 9.4055 9.4562 9.5674 10.6384 10.8369 10.9846 11.0841 12.0987 12.1409 12.6390 12.6689 13.2566 13.2828 14.7723 14.7799 15.2303 15.2379 k = 0.0000 0.0000 0.1252 ( 2811 PWs) bands (ev): -30.3092 -30.3092 -11.3103 -11.3086 -9.9073 -9.9048 -9.8428 -9.8428 0.0694 0.0751 5.3598 5.3666 5.3980 5.4674 6.6999 6.7107 6.8987 7.0622 7.9482 7.9984 9.0057 9.0260 9.2748 9.4264 9.4838 9.5797 10.6486 10.8510 11.0122 11.1098 12.0030 12.0341 12.6024 12.6316 13.2952 13.3117 14.8034 14.8107 15.2816 15.2892 k = 0.0000 0.0000 0.1431 ( 2809 PWs) bands (ev): -30.3091 -30.3091 -11.3109 -11.3089 -9.9077 -9.9049 -9.8440 -9.8439 0.0916 0.0981 5.3538 5.3651 5.3721 5.4293 6.6779 6.6904 6.8911 7.0727 7.9790 8.0324 8.9811 9.0037 9.2568 9.4451 9.5152 9.5951 10.6634 10.8618 11.0431 11.1348 11.9027 11.9200 12.5681 12.5962 13.3361 13.3413 14.8378 14.8444 15.3276 15.3332 k = 0.0000 0.0000 0.1609 ( 2807 PWs) bands (ev): -30.3090 -30.3090 -11.3116 -11.3093 -9.9082 -9.9050 -9.8453 -9.8452 0.1168 0.1242 5.3085 5.3686 5.3760 5.3889 6.6542 6.6658 6.8889 7.0846 8.0112 8.0667 8.9531 8.9757 9.2418 9.4587 9.5499 9.6158 10.6822 10.8705 11.0737 11.1575 11.8014 11.8033 12.5357 12.5631 13.3727 13.3798 14.8752 14.8806 15.3636 15.3645 k = 0.0000 0.0000 0.1788 ( 2811 PWs) bands (ev): -30.3089 -30.3089 -11.3123 -11.3098 -9.9086 -9.9051 -9.8468 -9.8467 0.1450 0.1531 5.2599 5.3392 5.3727 5.3857 6.6294 6.6378 6.8915 7.0977 8.0442 8.1005 8.9220 8.9431 9.2287 9.4655 9.5871 9.6425 10.7044 10.8775 11.1000 11.1744 11.6889 11.7033 12.5054 12.5328 13.4067 13.4269 14.9151 14.9188 15.3795 15.3844 k = 0.0000 0.0000 0.1967 ( 2819 PWs) bands (ev): -30.3088 -30.3088 -11.3131 -11.3104 -9.9091 -9.9052 -9.8484 -9.8482 0.1760 0.1849 5.2092 5.2901 5.3766 5.3918 6.6044 6.6078 6.8983 7.1120 8.0772 8.1331 8.8883 8.9070 9.2167 9.4661 9.6259 9.6738 10.7294 10.8822 11.1176 11.1793 11.5844 11.6139 12.4777 12.5063 13.4442 13.4775 14.9571 14.9584 15.3783 15.3870 k = 0.0000 0.0000 0.2146 ( 2823 PWs) bands (ev): -30.3086 -30.3086 -11.3139 -11.3110 -9.9096 -9.9054 -9.8501 -9.8499 0.2098 0.2195 5.1566 5.2381 5.3800 5.3981 6.5769 6.5797 6.9083 7.1273 8.1096 8.1637 8.8525 8.8686 9.2049 9.4618 9.6655 9.7076 10.7564 10.8828 11.1207 11.1608 11.5019 11.5408 12.4539 12.4847 13.4858 13.5322 14.9985 15.0007 15.3650 15.3730 k = 0.0000 0.0000 0.2325 ( 2819 PWs) bands (ev): -30.3085 -30.3085 -11.3147 -11.3116 -9.9102 -9.9057 -9.8519 -9.8517 0.2465 0.2570 5.1027 5.1840 5.3829 5.4040 6.5459 6.5558 6.9210 7.1437 8.1406 8.1915 8.8148 8.8289 9.1927 9.4538 9.7050 9.7421 10.7844 10.8758 11.1057 11.1074 11.4537 11.4912 12.4353 12.4693 13.5321 13.5911 15.0378 15.0454 15.3451 15.3486 k = 0.0000 0.0000 0.2504 ( 2812 PWs) bands (ev): -30.3084 -30.3083 -11.3156 -11.3123 -9.9107 -9.9059 -9.8538 -9.8536 0.2860 0.2972 5.0477 5.1282 5.3848 5.4095 6.5158 6.5332 6.9361 7.1612 8.1695 8.2156 8.7758 8.7887 9.1797 9.4431 9.7435 9.7758 10.8121 10.8554 11.0233 11.0769 11.4357 11.4660 12.4239 12.4615 13.5835 13.6543 15.0738 15.0899 15.3216 15.3236 k = 0.0000 0.0000 0.2682 ( 2812 PWs) bands (ev): -30.3082 -30.3082 -11.3166 -11.3130 -9.9113 -9.9062 -9.8559 -9.8556 0.3282 0.3402 4.9918 5.0712 5.3856 5.4141 6.4870 6.5122 6.9530 7.1796 8.1954 8.2351 8.7358 8.7487 9.1657 9.4302 9.7802 9.8077 10.8155 10.8376 10.9240 11.0466 11.4333 11.4584 12.4215 12.4629 13.6404 13.7216 15.1013 15.1324 15.3009 15.3052 k = 0.0000 0.0000 0.2861 ( 2812 PWs) bands (ev): -30.3080 -30.3080 -11.3175 -11.3138 -9.9118 -9.9064 -9.8580 -9.8576 0.3732 0.3859 4.9354 5.0132 5.3851 5.4176 6.4600 6.4931 6.9716 7.1991 8.2173 8.2489 8.6955 8.7098 9.1506 9.4155 9.8145 9.8370 10.7567 10.8144 10.8657 11.0223 11.4356 11.4598 12.4302 12.4751 13.7027 13.7930 15.1123 15.1679 15.2963 15.2969 k = 0.0000 0.0000 0.3040 ( 2808 PWs) bands (ev): -30.3079 -30.3079 -11.3185 -11.3146 -9.9124 -9.9068 -9.8602 -9.8598 0.4207 0.4341 4.8788 4.9547 5.3831 5.4198 6.4353 6.4762 6.9917 7.2196 8.2341 8.2560 8.6556 8.6726 9.1344 9.3993 9.8460 9.8634 10.6861 10.7118 10.8833 11.0024 11.4371 11.4643 12.4519 12.4993 13.7703 13.8678 15.1036 15.1881 15.3061 15.3143 k = 0.0000 0.0000 0.3219 ( 2806 PWs) bands (ev): -30.3077 -30.3077 -11.3196 -11.3155 -9.9130 -9.9071 -9.8624 -9.8620 0.4709 0.4850 4.8221 4.8960 5.3793 5.4203 6.4130 6.4615 7.0131 7.2411 8.2444 8.2551 8.6169 8.6381 9.1169 9.3819 9.8745 9.8866 10.6115 10.6116 10.8972 10.9826 11.4352 11.4685 12.4879 12.5366 13.8430 13.9454 15.0826 15.1914 15.3365 15.3465 k = 0.0000 0.0000 0.3398 ( 2810 PWs) bands (ev): -30.3075 -30.3075 -11.3206 -11.3164 -9.9136 -9.9074 -9.8648 -9.8642 0.5237 0.5384 4.7655 4.8373 5.3738 5.4191 6.3933 6.4491 7.0357 7.2637 8.2454 8.2467 8.5805 8.6065 9.0984 9.3635 9.8996 9.9063 10.5174 10.5380 10.9050 10.9598 11.4289 11.4707 12.5389 12.5873 13.9201 14.0248 15.0576 15.1878 15.3778 15.3859 k = 0.0000 0.0000 0.3577 ( 2810 PWs) bands (ev): -30.3074 -30.3073 -11.3217 -11.3173 -9.9142 -9.9078 -9.8671 -9.8665 0.5789 0.5943 4.7093 4.7788 5.3663 5.4158 6.3764 6.4389 7.0593 7.2874 8.2267 8.2397 8.5472 8.5782 9.0787 9.3445 9.9214 9.9224 10.4307 10.4687 10.9059 10.9323 11.4181 11.4698 12.6047 12.6516 14.0009 14.1048 15.0335 15.1839 15.4230 15.4284 k = 0.0000 0.0000 0.3755 ( 2806 PWs) bands (ev): -30.3072 -30.3072 -11.3228 -11.3183 -9.9148 -9.9082 -9.8695 -9.8688 0.6366 0.6526 4.6535 4.7207 5.3568 5.4103 6.3621 6.4308 7.0839 7.3121 8.1992 8.2227 8.5173 8.5528 9.0582 9.3252 9.9346 9.9398 10.3527 10.4058 10.8995 10.8997 11.4033 11.4655 12.6848 12.7289 14.0844 14.1837 15.0132 15.1828 15.4690 15.4719 k = 0.0000 0.0000 0.3934 ( 2808 PWs) bands (ev): -30.3070 -30.3070 -11.3239 -11.3192 -9.9154 -9.9086 -9.8720 -9.8712 0.6967 0.7133 4.5985 4.6633 5.3453 5.4025 6.3504 6.4243 7.1093 7.3378 8.1640 8.1961 8.4904 8.5293 9.0367 9.3062 9.9425 9.9549 10.2846 10.3506 10.8619 10.8859 11.3852 11.4575 12.7780 12.8186 14.1694 14.2590 14.9991 15.1853 15.5145 15.5151 k = 0.0000 0.0000 0.4113 ( 2804 PWs) bands (ev): -30.3068 -30.3068 -11.3250 -11.3202 -9.9160 -9.9090 -9.8745 -9.8736 0.7591 0.7762 4.5442 4.6067 5.3317 5.3923 6.3409 6.4193 7.1355 7.3647 8.1224 8.1612 8.4650 8.5069 9.0145 9.2879 9.9456 9.9666 10.2272 10.3036 10.8194 10.8655 11.3644 11.4458 12.8830 12.9196 14.2544 14.3282 14.9932 15.1920 15.5573 15.5584 k = 0.0000 0.0000 0.4292 ( 2806 PWs) bands (ev): -30.3066 -30.3066 -11.3261 -11.3213 -9.9165 -9.9094 -9.8769 -9.8760 0.8238 0.8414 4.4909 4.5510 5.3161 5.3797 6.3331 6.4151 7.1621 7.3927 8.0756 8.1201 8.4398 8.4850 8.9917 9.2708 9.9433 9.9749 10.1809 10.2653 10.7725 10.8388 11.3414 11.4304 12.9985 13.0310 14.3378 14.3885 14.9973 15.2031 15.5978 15.6001 k = 0.0000 0.0000 0.4471 ( 2806 PWs) bands (ev): -30.3064 -30.3064 -11.3272 -11.3223 -9.9171 -9.9099 -9.8794 -9.8784 0.8908 0.9088 4.4386 4.4964 5.2984 5.3648 6.3267 6.4112 7.1891 7.4217 8.0250 8.0749 8.4135 8.4633 8.9685 9.2552 9.9352 9.9800 10.1459 10.2356 10.7222 10.8068 11.3165 11.4114 13.1234 13.1517 14.4177 14.4376 15.0124 15.2182 15.6364 15.6388 k = 0.0000 0.0000 0.4650 ( 2810 PWs) bands (ev): -30.3062 -30.3062 -11.3283 -11.3233 -9.9177 -9.9103 -9.8819 -9.8808 0.9599 0.9783 4.3875 4.4429 5.2788 5.3475 6.3210 6.4071 7.2160 7.4517 7.9717 8.0274 8.3857 8.4418 8.9451 9.2414 9.9218 9.9820 10.1211 10.2138 10.6688 10.7702 11.2899 11.3889 13.2564 13.2806 14.4747 14.4924 15.0374 15.2364 15.6725 15.6738 k = 0.0000 0.0000 0.4828 ( 2814 PWs) bands (ev): -30.3060 -30.3060 -11.3294 -11.3244 -9.9182 -9.9108 -9.8844 -9.8832 1.0310 1.0498 4.3376 4.3908 5.2573 5.3279 6.3153 6.4022 7.2426 7.4829 7.9167 7.9793 8.3565 8.4208 8.9215 9.2292 9.9045 9.9813 10.1042 10.1991 10.6133 10.7301 11.2616 11.3628 13.3965 13.4169 14.5014 14.5605 15.0691 15.2560 15.7049 15.7061 k = 0.0000 0.0000 0.5007 ( 2812 PWs) bands (ev): -30.3058 -30.3058 -11.3304 -11.3254 -9.9187 -9.9113 -9.8868 -9.8856 1.1042 1.1233 4.2890 4.3399 5.2337 5.3060 6.3089 6.3957 7.2684 7.5151 7.8610 7.9324 8.3264 8.4011 8.8982 9.2187 9.8851 9.9783 10.0925 10.1902 10.5563 10.6875 11.2316 11.3334 13.5429 13.5596 14.5203 14.6209 15.1029 15.2741 15.7324 15.7371 k = 0.0000 0.0000 0.5186 ( 2812 PWs) bands (ev): -30.3056 -30.3056 -11.3315 -11.3265 -9.9192 -9.9117 -9.8892 -9.8879 1.1794 1.1987 4.2418 4.2906 5.2081 5.2817 6.3011 6.3871 7.2926 7.5483 7.8053 7.8884 8.2964 8.3831 8.8752 9.2097 9.8647 9.9734 10.0840 10.1857 10.4985 10.6431 11.2000 11.3005 13.6945 13.7079 14.5348 14.6736 15.1342 15.2879 15.7587 15.7656 k = 0.0000 0.0000 0.5365 ( 2808 PWs) bands (ev): -30.3054 -30.3054 -11.3325 -11.3275 -9.9197 -9.9122 -9.8916 -9.8902 1.2564 1.2758 4.1961 4.2428 5.1804 5.2551 6.2913 6.3760 7.3141 7.5825 7.7504 7.8492 8.2672 8.3675 8.8528 9.2019 9.8439 9.9668 10.0771 10.1841 10.4410 10.5977 11.1667 11.2644 13.8506 13.8609 14.5477 14.7190 15.1592 15.2948 15.7872 15.7919 k = 0.0000 0.0000 0.5544 ( 2808 PWs) bands (ev): -30.3052 -30.3052 -11.3335 -11.3286 -9.9202 -9.9127 -9.8939 -9.8925 1.3353 1.3548 4.1519 4.1965 5.1504 5.2260 6.2788 6.3617 7.3319 7.6177 7.6971 7.8168 8.2399 8.3549 8.8312 9.1951 9.8224 9.9581 10.0708 10.1839 10.3850 10.5522 11.1320 11.2250 14.0104 14.0179 14.5613 14.7582 15.1759 15.2943 15.8121 15.8159 k = 0.0000 0.0000 0.5723 ( 2808 PWs) bands (ev): -30.3050 -30.3050 -11.3345 -11.3296 -9.9206 -9.9132 -9.8962 -9.8947 1.4159 1.4354 4.1093 4.1519 5.1181 5.1943 6.2633 6.3442 7.3446 7.6456 7.6540 7.7932 8.2154 8.3459 8.8107 9.1890 9.8001 9.9467 10.0645 10.1833 10.3328 10.5070 11.0959 11.1825 14.1728 14.1780 14.5774 14.7923 15.1834 15.2870 15.8212 15.8376 k = 0.0000 0.0000 0.5901 ( 2802 PWs) bands (ev): -30.3048 -30.3048 -11.3355 -11.3306 -9.9210 -9.9136 -9.8984 -9.8969 1.4982 1.5175 4.0684 4.1089 5.0833 5.1597 6.2446 6.3232 7.3509 7.5969 7.6909 7.7800 8.1944 8.3410 8.7916 9.1837 9.7762 9.9313 10.0579 10.1792 10.2882 10.4629 11.0587 11.1370 14.3365 14.3404 14.5977 14.8221 15.1820 15.2748 15.8268 15.8570 k = 0.0000 0.0000 0.6080 ( 2798 PWs) bands (ev): -30.3047 -30.3046 -11.3364 -11.3316 -9.9214 -9.9141 -9.9005 -9.8990 1.5821 1.6012 4.0291 4.0677 5.0457 5.1221 6.2227 6.2990 7.3505 7.5508 7.7287 7.7779 8.1777 8.3404 8.7739 9.1789 9.7502 9.9104 10.0508 10.1664 10.2575 10.4200 11.0206 11.0889 14.4975 14.5039 14.6260 14.8481 15.1724 15.2600 15.8299 15.8733 k = 0.0000 0.0000 0.6259 ( 2800 PWs) bands (ev): -30.3045 -30.3045 -11.3373 -11.3326 -9.9218 -9.9146 -9.9026 -9.9010 1.6674 1.6862 3.9915 4.0283 5.0052 5.0811 6.1978 6.2719 7.3439 7.5075 7.7674 7.7864 8.1657 8.3443 8.7581 9.1746 9.7217 9.8822 10.0430 10.1438 10.2433 10.3788 10.9820 11.0384 14.6201 14.6672 14.6968 14.8695 15.1558 15.2458 15.8318 15.8856 k = 0.0000 0.0000 0.6438 ( 2800 PWs) bands (ev): -30.3043 -30.3043 -11.3381 -11.3336 -9.9221 -9.9151 -9.9046 -9.9030 1.7542 1.7726 3.9557 3.9907 4.9615 5.0366 6.1705 6.2424 7.3323 7.4670 7.8040 7.8067 8.1589 8.3527 8.7444 9.1710 9.6902 9.8456 10.0343 10.1189 10.2386 10.3393 10.9433 10.9859 14.6668 14.8265 14.8457 14.8867 15.1345 15.2362 15.8338 15.8947 k = 0.0000 0.0000 0.6617 ( 2804 PWs) bands (ev): -30.3041 -30.3041 -11.3389 -11.3345 -9.9224 -9.9155 -9.9065 -9.9049 1.8423 1.8602 3.9217 3.9549 4.9144 4.9882 6.1414 6.2111 7.3173 7.4292 7.8290 7.8467 8.1573 8.3655 8.7332 9.1679 9.6557 9.8007 10.0244 10.0975 10.2371 10.3018 10.9049 10.9322 14.7048 14.8854 14.9914 14.9975 15.1159 15.2360 15.8367 15.9025 k = 0.0000 0.0000 0.6796 ( 2794 PWs) bands (ev): -30.3040 -30.3040 -11.3397 -11.3354 -9.9226 -9.9160 -9.9083 -9.9067 1.9317 1.9489 3.8895 3.9210 4.8638 4.9358 6.1113 6.1787 7.3002 7.3941 7.8597 7.8871 8.1611 8.3823 8.7248 9.1655 9.6182 9.7490 10.0130 10.0807 10.2356 10.2662 10.8673 10.8778 14.7431 14.8801 15.0609 15.1410 15.1814 15.2506 15.8408 15.9104 k = 0.0000 0.0000 0.6974 ( 2798 PWs) bands (ev): -30.3038 -30.3038 -11.3404 -11.3363 -9.9229 -9.9165 -9.9100 -9.9084 2.0221 2.0385 3.8591 3.8890 4.8096 4.8792 6.0810 6.1459 7.2821 7.3614 7.8947 7.9278 8.1699 8.4026 8.7197 9.1639 9.5778 9.6923 9.9995 10.0679 10.2322 10.2328 10.8238 10.8309 14.7790 14.8626 15.0449 15.2567 15.3052 15.3226 15.8460 15.9190 k = 0.0000 0.0000 0.7153 ( 2798 PWs) bands (ev): -30.3037 -30.3037 -11.3410 -11.3371 -9.9231 -9.9169 -9.9116 -9.9100 2.1135 2.1290 3.8305 3.8588 4.7517 4.8184 6.0513 6.1134 7.2636 7.3310 7.9330 7.9686 8.1835 8.4256 8.7186 9.1632 9.5349 9.6320 9.9831 10.0579 10.2019 10.2257 10.7712 10.7962 14.8049 14.8359 15.0357 15.3058 15.4268 15.4582 15.8521 15.9287 k = 0.0000 0.0000 0.7332 ( 2798 PWs) bands (ev): -30.3035 -30.3035 -11.3416 -11.3379 -9.9232 -9.9174 -9.9131 -9.9116 2.2058 2.2202 3.8039 3.8306 4.6902 4.7535 6.0227 6.0818 7.2453 7.3028 7.9736 8.0094 8.2014 8.4506 8.7220 9.1636 9.4900 9.5695 9.9629 10.0498 10.1740 10.2150 10.7215 10.7633 14.8032 14.8105 15.0498 15.3565 15.5415 15.5789 15.8589 15.9396 k = 0.0000 0.0000 0.7511 ( 2800 PWs) bands (ev): -30.3034 -30.3034 -11.3422 -11.3387 -9.9234 -9.9178 -9.9146 -9.9130 2.2988 2.3120 3.7790 3.8044 4.6252 4.6847 5.9958 6.0516 7.2274 7.2767 8.0160 8.0497 8.2232 8.4765 8.7309 9.1651 9.4436 9.5056 9.9382 10.0427 10.1498 10.1988 10.6761 10.7325 14.7673 14.7944 15.0899 15.4149 15.6386 15.6805 15.8662 15.9518 k = 0.0000 0.0000 0.7690 ( 2800 PWs) bands (ev): -30.3033 -30.3033 -11.3427 -11.3395 -9.9235 -9.9182 -9.9159 -9.9144 2.3923 2.4041 3.7561 3.7801 4.5570 4.6122 5.9710 6.0231 7.2103 7.2527 8.0594 8.0893 8.2484 8.5024 8.7459 9.1676 9.3963 9.4407 9.9087 10.0359 10.1295 10.1767 10.6364 10.7041 14.7302 14.7652 15.1482 15.4802 15.7174 15.7619 15.8736 15.9654 k = 0.0000 0.0000 0.7869 ( 2808 PWs) bands (ev): -30.3032 -30.3032 -11.3432 -11.3402 -9.9236 -9.9187 -9.9171 -9.9156 2.4860 2.4963 3.7350 3.7577 4.4859 4.5365 5.9486 5.9967 7.1943 7.2307 8.1031 8.1277 8.2765 8.5278 8.7675 9.1710 9.3489 9.3755 9.8746 10.0282 10.1130 10.1490 10.6033 10.6779 14.6933 14.7304 15.2176 15.5513 15.7796 15.8246 15.8809 15.9804 k = 0.0000 0.0000 0.8047 ( 2814 PWs) bands (ev): -30.3031 -30.3031 -11.3435 -11.3408 -9.9236 -9.9191 -9.9181 -9.9167 2.5798 2.5884 3.7157 3.7372 4.4125 4.4582 5.9287 5.9725 7.1794 7.2106 8.1461 8.1645 8.3075 8.5524 8.7956 9.1741 9.3031 9.3101 9.8366 10.0171 10.0997 10.1182 10.5771 10.6541 14.6579 14.6942 15.2939 15.6270 15.8287 15.8719 15.8881 15.9970 k = 0.0000 0.0000 0.8226 ( 2818 PWs) bands (ev): -30.3030 -30.3030 -11.3439 -11.3414 -9.9237 -9.9196 -9.9190 -9.9177 2.6731 2.6799 3.6982 3.7186 4.3372 4.3778 5.9113 5.9507 7.1659 7.1926 8.1875 8.1992 8.3414 8.5769 8.8295 9.1728 9.2449 9.2632 9.7962 9.9980 10.0890 10.0897 10.5572 10.6326 14.6247 14.6586 15.3746 15.7057 15.8681 15.8954 15.9078 16.0150 k = 0.0000 0.0000 0.8405 ( 2810 PWs) bands (ev): -30.3029 -30.3029 -11.3441 -11.3420 -9.9237 -9.9202 -9.9196 -9.9186 2.7656 2.7704 3.6825 3.7019 4.2610 4.2963 5.8964 5.9312 7.1538 7.1764 8.2257 8.2312 8.3787 8.6020 8.8682 9.1561 9.1803 9.2403 9.7546 9.9659 10.0701 10.0805 10.5429 10.6132 14.5944 14.6251 15.4576 15.7835 15.8986 15.9071 15.9357 16.0348 k = 0.0000 0.0000 0.8584 ( 2810 PWs) bands (ev): -30.3029 -30.3029 -11.3444 -11.3425 -9.9236 -9.9209 -9.9200 -9.9194 2.8564 2.8591 3.6683 3.6868 4.1848 4.2148 5.8841 5.9141 7.1434 7.1623 8.2594 8.2599 8.4196 8.6287 8.9098 9.1170 9.1203 9.2376 9.7138 9.9224 10.0594 10.0735 10.5330 10.5960 14.5676 14.5945 15.5402 15.8481 15.9135 15.9417 15.9578 16.0412 k = 0.0000 0.0000 0.8763 ( 2814 PWs) bands (ev): -30.3028 -30.3028 -11.3445 -11.3429 -9.9236 -9.9215 -9.9203 -9.9201 2.9444 2.9449 3.6555 3.6733 4.1102 4.1346 5.8742 5.8994 7.1347 7.1501 8.2848 8.2878 8.4645 8.6577 8.9507 9.0576 9.0759 9.2432 9.6759 9.8728 10.0539 10.0677 10.5268 10.5807 14.5446 14.5674 15.6195 15.8786 15.9325 15.9752 15.9967 16.0457 k = 0.0000 0.0000 0.8942 ( 2818 PWs) bands (ev): -30.3028 -30.3027 -11.3446 -11.3434 -9.9236 -9.9220 -9.9206 -9.9206 3.0263 3.0278 3.6440 3.6609 4.0393 4.0581 5.8667 5.8869 7.1277 7.1398 8.3057 8.3103 8.5131 8.6893 8.9631 9.0289 9.0293 9.2488 9.6443 9.8214 10.0510 10.0630 10.5234 10.5673 14.5259 14.5443 15.6915 15.8863 15.9507 15.9877 16.0485 16.0511 k = 0.0000 0.0000 0.9120 ( 2822 PWs) bands (ev): -30.3027 -30.3027 -11.3447 -11.3437 -9.9235 -9.9225 -9.9210 -9.9209 3.1006 3.1037 3.6337 3.6492 3.9754 3.9886 5.8615 5.8767 7.1225 7.1315 8.3224 8.3270 8.5649 8.7237 8.9148 8.9822 9.0623 9.2491 9.6229 9.7707 10.0497 10.0590 10.5224 10.5556 14.5115 14.5254 15.7521 15.8862 15.9653 15.9949 16.0573 16.0700 k = 0.0000 0.0000 0.9299 ( 2824 PWs) bands (ev): -30.3027 -30.3027 -11.3447 -11.3440 -9.9234 -9.9228 -9.9212 -9.9211 3.1633 3.1671 3.6248 3.6378 3.9231 3.9311 5.8586 5.8688 7.1192 7.1252 8.3346 8.3383 8.6192 8.7600 8.8567 8.9358 9.1062 9.2398 9.6156 9.7231 10.0495 10.0558 10.5235 10.5458 14.5019 14.5112 15.7991 15.8814 15.9769 15.9975 16.0636 16.0757 k = 0.0000 0.0000 0.9478 ( 2812 PWs) bands (ev): -30.3027 -30.3027 -11.3446 -11.3443 -9.9233 -9.9230 -9.9213 -9.9213 3.2077 3.2104 3.6192 3.6270 3.8885 3.8920 5.8579 5.8630 7.1178 7.1208 8.3425 8.3445 8.6754 8.7822 8.8147 8.8905 9.1493 9.2191 9.6239 9.6809 10.0501 10.0533 10.5265 10.5377 14.4969 14.5016 15.8330 15.8718 15.9859 15.9964 16.0692 16.0759 k = 0.0000 0.0000 0.9657 ( 2816 PWs) bands (ev): -30.3027 -30.3027 -11.3444 -11.3444 -9.9232 -9.9232 -9.9213 -9.9213 3.2250 3.2250 3.6198 3.6198 3.8771 3.8771 5.8594 5.8594 7.1183 7.1183 8.3458 8.3458 8.7325 8.7325 8.8474 8.8474 9.1879 9.1879 9.6467 9.6467 10.0514 10.0514 10.5313 10.5313 14.4968 14.4968 15.8563 15.8563 15.9924 15.9924 16.0735 16.0735 k = 0.0000 0.0000 0.9657 ( 2816 PWs) bands (ev): -30.3027 -30.3027 -11.3444 -11.3444 -9.9232 -9.9232 -9.9213 -9.9213 3.2250 3.2250 3.6198 3.6198 3.8771 3.8771 5.8594 5.8594 7.1183 7.1183 8.3458 8.3458 8.7325 8.7325 8.8474 8.8474 9.1879 9.1879 9.6467 9.6467 10.0514 10.0514 10.5313 10.5313 14.4968 14.4968 15.8563 15.8563 15.9924 15.9924 16.0735 16.0735 k =-0.0092 0.0151 0.9657 ( 2812 PWs) bands (ev): -30.3027 -30.3027 -11.3445 -11.3443 -9.9233 -9.9231 -9.9216 -9.9211 3.2149 3.2221 3.6217 3.6240 3.8778 3.8778 5.8584 5.8706 7.1176 7.1188 8.3379 8.3502 8.7021 8.7508 8.8343 8.8525 9.1615 9.2261 9.6344 9.6684 10.0401 10.0669 10.5144 10.5538 14.4893 14.4983 15.8522 15.8617 15.9766 15.9975 16.0632 16.0758 k =-0.0183 0.0303 0.9657 ( 2808 PWs) bands (ev): -30.3027 -30.3027 -11.3446 -11.3441 -9.9232 -9.9228 -9.9218 -9.9208 3.1925 3.2064 3.6292 3.6338 3.8797 3.8798 5.8678 5.8918 7.1167 7.1190 8.3266 8.3506 8.6634 8.7527 8.8145 8.8505 9.1513 9.2701 9.6328 9.6974 10.0335 10.0862 10.5035 10.5818 14.4760 14.4937 15.8474 15.8670 15.9535 15.9924 16.0452 16.0723 k =-0.0275 0.0454 0.9657 ( 2806 PWs) bands (ev): -30.3027 -30.3027 -11.3446 -11.3439 -9.9230 -9.9225 -9.9220 -9.9205 3.1592 3.1794 3.6412 3.6482 3.8829 3.8832 5.8870 5.9225 7.1158 7.1188 8.3120 8.3460 8.6205 8.7326 8.7954 8.8420 9.1575 9.3155 9.6430 9.7319 10.0322 10.1090 10.4989 10.6150 14.4570 14.4830 15.8366 15.8644 15.9307 15.9836 16.0239 16.0641 k =-0.0366 0.0605 0.9657 ( 2814 PWs) bands (ev): -30.3027 -30.3027 -11.3445 -11.3436 -9.9227 -9.9225 -9.9218 -9.9202 3.1167 3.1426 3.6566 3.6659 3.8875 3.8881 5.9152 5.9618 7.1150 7.1181 8.2941 8.3348 8.5772 8.6910 8.7821 8.8277 9.1759 9.3591 9.6653 9.7694 10.0374 10.1349 10.5009 10.6532 14.4327 14.4663 15.8132 15.8398 15.9170 15.9797 16.0086 16.0522 k =-0.0458 0.0756 0.9657 ( 2814 PWs) bands (ev): -30.3028 -30.3028 -11.3444 -11.3432 -9.9226 -9.9224 -9.9213 -9.9199 3.0668 3.0976 3.6744 3.6859 3.8935 3.8946 5.9517 6.0086 7.1143 7.1168 8.2730 8.3150 8.5374 8.6376 8.7716 8.8086 9.2017 9.3989 9.6988 9.8074 10.0505 10.1635 10.5100 10.6959 14.4034 14.4438 15.7746 15.7959 15.9001 15.9806 16.0119 16.0423 k =-0.0549 0.0908 0.9657 ( 2814 PWs) bands (ev): -30.3028 -30.3028 -11.3443 -11.3429 -9.9228 -9.9220 -9.9206 -9.9195 3.0107 3.0459 3.6940 3.7076 3.9010 3.9028 5.9951 6.0616 7.1140 7.1150 8.2489 8.2847 8.5041 8.5788 8.7626 8.7860 9.2313 9.4345 9.7423 9.8435 10.0734 10.1945 10.5265 10.7431 14.3694 14.4158 15.7233 15.7414 15.8724 15.9717 16.0344 16.0488 k =-0.0641 0.1059 0.9657 ( 2816 PWs) bands (ev): -30.3029 -30.3029 -11.3441 -11.3424 -9.9231 -9.9216 -9.9197 -9.9190 2.9497 2.9886 3.7151 3.7303 3.9101 3.9128 6.0443 6.1195 7.1127 7.1143 8.2220 8.2443 8.4779 8.5177 8.7552 8.7614 9.2623 9.4656 9.7938 9.8757 10.1073 10.2276 10.5506 10.7943 14.3313 14.3826 15.6624 15.6795 15.8388 15.9480 16.0686 16.0757 k =-0.0733 0.1210 0.9657 ( 2812 PWs) bands (ev): -30.3030 -30.3030 -11.3438 -11.3420 -9.9233 -9.9212 -9.9188 -9.9184 2.8846 2.9267 3.7373 3.7540 3.9208 3.9246 6.0977 6.1807 7.1099 7.1154 8.1927 8.1960 8.4564 8.4570 8.7363 8.7497 9.2933 9.4928 9.8516 9.9041 10.1521 10.2627 10.5824 10.8491 14.2893 14.3446 15.5938 15.6112 15.8029 15.9169 16.1095 16.1146 k =-0.0824 0.1362 0.9657 ( 2812 PWs) bands (ev): -30.3031 -30.3031 -11.3435 -11.3415 -9.9235 -9.9208 -9.9178 -9.9176 2.8163 2.8610 3.7605 3.7783 3.9332 3.9382 6.1539 6.2438 7.1068 7.1176 8.1431 8.1616 8.3961 8.4388 8.7119 8.7463 9.3236 9.5162 9.9140 9.9299 10.2062 10.2999 10.6216 10.9074 14.2439 14.3022 15.5184 15.5371 15.7661 15.8823 16.1526 16.1608 k =-0.0916 0.1513 0.9657 ( 2800 PWs) bands (ev): -30.3032 -30.3032 -11.3432 -11.3409 -9.9236 -9.9204 -9.9167 -9.9166 2.7455 2.7924 3.7846 3.8032 3.9472 3.9537 6.2115 6.3070 7.1037 7.1216 8.0884 8.1290 8.3376 8.4210 8.6895 8.7450 9.3526 9.5360 9.9555 9.9801 10.2678 10.3398 10.6678 10.9687 14.1956 14.2560 15.4366 15.4570 15.7292 15.8458 16.1887 16.2104 k =-0.0916 0.1513 0.9657 ( 2800 PWs) bands (ev): -30.3032 -30.3032 -11.3432 -11.3409 -9.9236 -9.9204 -9.9167 -9.9166 2.7455 2.7924 3.7846 3.8032 3.9472 3.9537 6.2115 6.3070 7.1037 7.1216 8.0884 8.1290 8.3376 8.4210 8.6895 8.7450 9.3526 9.5360 9.9555 9.9801 10.2678 10.3398 10.6678 10.9687 14.1956 14.2560 15.4366 15.4570 15.7292 15.8458 16.1887 16.2104 k =-0.0982 0.1622 0.9530 ( 2806 PWs) bands (ev): -30.3032 -30.3032 -11.3429 -11.3405 -9.9238 -9.9203 -9.9162 -9.9153 2.6928 2.7408 3.7791 3.7975 3.9831 3.9905 6.2532 6.3520 7.1021 7.1264 8.0440 8.1074 8.2887 8.4165 8.6731 8.7492 9.3700 9.5481 9.9739 10.0293 10.3139 10.3759 10.7054 11.0149 14.1602 14.2218 15.3742 15.3961 15.7023 15.8179 16.1749 16.2505 k =-0.1047 0.1731 0.9402 ( 2802 PWs) bands (ev): -30.3033 -30.3033 -11.3425 -11.3400 -9.9241 -9.9205 -9.9153 -9.9137 2.6388 2.6874 3.7452 3.7636 4.0503 4.0582 6.2949 6.3964 7.1015 7.1340 7.9943 8.0868 8.2339 8.4210 8.6553 8.7600 9.3827 9.5579 9.9953 10.0755 10.3536 10.4304 10.7469 11.0632 14.1259 14.1883 15.3095 15.3331 15.6743 15.7871 16.1074 16.2505 k =-0.1113 0.1840 0.9275 ( 2806 PWs) bands (ev): -30.3034 -30.3034 -11.3422 -11.3395 -9.9245 -9.9208 -9.9141 -9.9120 2.5844 2.6333 3.7017 3.7207 4.1286 4.1371 6.3362 6.4396 7.1024 7.1442 7.9431 8.0637 8.1812 8.4285 8.6371 8.7749 9.3916 9.5648 10.0197 10.1175 10.3883 10.5011 10.7921 11.1133 14.0927 14.1556 15.2431 15.2683 15.6442 15.7520 16.0091 16.1792 k =-0.1179 0.1948 0.9148 ( 2807 PWs) bands (ev): -30.3035 -30.3035 -11.3418 -11.3390 -9.9249 -9.9213 -9.9127 -9.9101 2.5301 2.5790 3.6550 3.6749 4.2112 4.2207 6.3765 6.4811 7.1050 7.1572 7.8922 8.0354 8.1351 8.4371 8.6194 8.7924 9.3981 9.5687 10.0461 10.1557 10.4241 10.5809 10.8406 11.1648 14.0606 14.1238 15.1750 15.2019 15.6102 15.7099 15.9012 16.0873 k =-0.1245 0.2057 0.9021 ( 2807 PWs) bands (ev): -30.3036 -30.3036 -11.3413 -11.3384 -9.9254 -9.9218 -9.9111 -9.9081 2.4763 2.5252 3.6072 3.6280 4.2955 4.3065 6.4154 6.5207 7.1095 7.1726 7.8430 7.9999 8.0989 8.4456 8.6026 8.8117 9.4031 9.5697 10.0736 10.1901 10.4644 10.6656 10.8923 11.2170 14.0296 14.0929 15.1049 15.1334 15.5695 15.6539 15.8001 15.9941 k =-0.1311 0.2166 0.8894 ( 2805 PWs) bands (ev): -30.3037 -30.3037 -11.3409 -11.3378 -9.9259 -9.9224 -9.9093 -9.9060 2.4236 2.4723 3.5593 3.5808 4.3801 4.3933 6.4528 6.5581 7.1159 7.1904 7.7965 7.9587 8.0716 8.4531 8.5873 8.8322 9.4073 9.5682 10.1014 10.2206 10.5106 10.7523 10.9474 11.2694 13.9996 14.0628 15.0323 15.0621 15.5173 15.5757 15.7221 15.9098 k =-0.1377 0.2275 0.8766 ( 2799 PWs) bands (ev): -30.3039 -30.3038 -11.3403 -11.3372 -9.9265 -9.9230 -9.9074 -9.9038 2.3719 2.4204 3.5117 3.5338 4.4643 4.4801 6.4885 6.5932 7.1245 7.2099 7.7536 7.9158 8.0499 8.4585 8.5746 8.8536 9.4112 9.5647 10.1289 10.2472 10.5632 10.8385 11.0062 11.3213 13.9707 14.0335 14.9565 14.9869 15.4489 15.4841 15.6684 15.8396 k =-0.1443 0.2384 0.8639 ( 2799 PWs) bands (ev): -30.3040 -30.3040 -11.3398 -11.3366 -9.9271 -9.9237 -9.9053 -9.9015 2.3217 2.3698 3.4649 3.4874 4.5472 4.5662 6.5224 6.6259 7.1351 7.2304 7.7156 7.8743 8.0313 8.4606 8.5654 8.8756 9.4153 9.5598 10.1558 10.2703 10.6218 10.9221 11.0696 11.3717 13.9426 14.0048 14.8767 14.9067 15.3634 15.3985 15.6287 15.7830 k =-0.1509 0.2493 0.8512 ( 2800 PWs) bands (ev): -30.3041 -30.3041 -11.3392 -11.3360 -9.9277 -9.9244 -9.9032 -9.8992 2.2730 2.3207 3.4190 3.4419 4.6283 4.6509 6.5548 6.6563 7.1476 7.2509 7.6834 7.8359 8.0143 8.4582 8.5608 8.8978 9.4197 9.5539 10.1819 10.2903 10.6855 11.0007 11.1383 11.4196 13.9150 13.9765 14.7925 14.8210 15.2759 15.3207 15.5964 15.7362 k =-0.1574 0.2602 0.8385 ( 2798 PWs) bands (ev): -30.3042 -30.3042 -11.3387 -11.3354 -9.9283 -9.9251 -9.9009 -9.8968 2.2259 2.2732 3.3743 3.3973 4.7068 4.7336 6.5859 6.6846 7.1619 7.2704 7.6583 7.8017 7.9986 8.4513 8.5607 8.9202 9.4248 9.5475 10.2072 10.3076 10.7531 11.0730 11.2125 11.4640 13.8876 13.9480 14.7047 14.7311 15.1973 15.2499 15.5684 15.6953 k =-0.1640 0.2710 0.8257 ( 2800 PWs) bands (ev): -30.3044 -30.3044 -11.3381 -11.3348 -9.9290 -9.9259 -9.8987 -9.8944 2.1806 2.2274 3.3309 3.3539 4.7822 4.8137 6.6158 6.7109 7.1776 7.2880 7.6415 7.7724 7.9838 8.4410 8.5639 8.9423 9.4307 9.5410 10.2315 10.3227 10.8233 11.1393 11.2911 11.5035 13.8600 13.9190 14.6151 14.6401 15.1303 15.1881 15.5426 15.6575 k =-0.1706 0.2819 0.8130 ( 2802 PWs) bands (ev): -30.3045 -30.3045 -11.3375 -11.3342 -9.9296 -9.9266 -9.8963 -9.8920 2.1372 2.1835 3.2890 3.3119 4.8538 4.8905 6.6449 6.7352 7.1942 7.3033 7.6336 7.7485 7.9698 8.4285 8.5693 8.9641 9.4374 9.5349 10.2545 10.3360 10.8946 11.2009 11.3719 11.5367 13.8313 13.8885 14.5269 14.5523 15.0744 15.1365 15.5181 15.6208 k =-0.1772 0.2928 0.8003 ( 2805 PWs) bands (ev): -30.3047 -30.3046 -11.3369 -11.3336 -9.9303 -9.9273 -9.8940 -9.8896 2.0957 2.1415 3.2486 3.2713 4.9211 4.9636 6.6733 6.7576 7.2113 7.3169 7.6345 7.7304 7.9566 8.4148 8.5758 8.9852 9.4450 9.5297 10.2761 10.3476 10.9652 11.2590 11.4532 11.5624 13.8010 13.8559 14.4437 14.4722 15.0286 15.0950 15.4941 15.5836 k =-0.1838 0.3037 0.7876 ( 2803 PWs) bands (ev): -30.3048 -30.3048 -11.3363 -11.3330 -9.9309 -9.9281 -9.8916 -9.8873 2.0561 2.1015 3.2099 3.2323 4.9837 5.0323 6.7008 6.7779 7.2285 7.3307 7.6430 7.7186 7.9442 8.4006 8.5826 9.0053 9.4535 9.5260 10.2959 10.3577 11.0325 11.3155 11.5330 11.5798 13.7682 13.8206 14.3695 14.4037 14.9917 15.0630 15.4700 15.5446 k =-0.1904 0.3146 0.7748 ( 2809 PWs) bands (ev): -30.3049 -30.3049 -11.3356 -11.3325 -9.9316 -9.9288 -9.8892 -9.8849 2.0187 2.0636 3.1731 3.1950 5.0412 5.0963 6.7273 6.7960 7.2454 7.3470 7.6570 7.7133 7.9327 8.3863 8.5894 9.0241 9.4626 9.5244 10.3134 10.3665 11.0929 11.3723 11.5819 11.6164 13.7327 13.7823 14.3078 14.3495 14.9627 15.0398 15.4450 15.5024 k =-0.1970 0.3255 0.7621 ( 2807 PWs) bands (ev): -30.3050 -30.3050 -11.3350 -11.3319 -9.9322 -9.9295 -9.8869 -9.8827 1.9833 2.0277 3.1380 3.1596 5.0933 5.1551 6.7520 6.8117 7.2627 7.3681 7.6734 7.7155 7.9223 8.3722 8.5959 9.0412 9.4724 9.5257 10.3282 10.3741 11.1421 11.4320 11.5786 11.6926 13.6947 13.7419 14.2608 14.3106 14.9413 15.0249 15.4184 15.4556 k =-0.2036 0.3363 0.7494 ( 2808 PWs) bands (ev): -30.3052 -30.3051 -11.3344 -11.3314 -9.9328 -9.9302 -9.8845 -9.8805 1.9500 1.9940 3.1050 3.1260 5.1400 5.2086 6.7743 6.8249 7.2816 7.3947 7.6889 7.7266 7.9133 8.3585 8.6019 9.0562 9.4825 9.5308 10.3394 10.3807 11.1763 11.4963 11.5631 11.7686 13.6555 13.7007 14.2294 14.2868 14.9267 15.0176 15.3894 15.4033 k =-0.2101 0.3472 0.7367 ( 2804 PWs) bands (ev): -30.3053 -30.3053 -11.3338 -11.3310 -9.9334 -9.9309 -9.8823 -9.8783 1.9189 1.9624 3.0739 3.0944 5.1811 5.2565 6.7932 6.8358 7.3034 7.4271 7.7022 7.7456 7.9061 8.3453 8.6073 9.0686 9.4933 9.5400 10.3466 10.3861 11.1934 11.5295 11.5736 11.8433 13.6168 13.6603 14.2129 14.2769 14.9189 15.0177 15.3448 15.3567 k =-0.2167 0.3581 0.7240 ( 2804 PWs) bands (ev): -30.3054 -30.3054 -11.3333 -11.3305 -9.9340 -9.9315 -9.8801 -9.8763 1.8900 1.9331 3.0450 3.0648 5.2169 5.2990 6.8079 6.8448 7.3290 7.4646 7.7150 7.7690 7.9015 8.3327 8.6121 9.0782 9.5055 9.5532 10.3494 10.3899 11.1938 11.4933 11.6485 11.9167 13.5798 13.6223 14.2102 14.2792 14.9173 15.0242 15.2811 15.3191 k =-0.2233 0.3690 0.7112 ( 2802 PWs) bands (ev): -30.3055 -30.3055 -11.3327 -11.3301 -9.9345 -9.9321 -9.8780 -9.8745 1.8633 1.9060 3.0182 3.0373 5.2477 5.3361 6.8180 6.8524 7.3585 7.5062 7.7280 7.7937 7.9009 8.3208 8.6161 9.0846 9.5201 9.5700 10.3476 10.3910 11.1795 11.4463 11.7294 11.9887 13.5453 13.5877 14.2193 14.2919 14.9217 15.0353 15.2151 15.2756 k =-0.2299 0.3799 0.6985 ( 2804 PWs) bands (ev): -30.3056 -30.3056 -11.3322 -11.3298 -9.9350 -9.9327 -9.8760 -9.8727 1.8388 1.8812 2.9935 3.0121 5.2738 5.3681 6.8237 6.8590 7.3913 7.5504 7.7405 7.8173 7.9067 8.3097 8.6194 9.0878 9.5380 9.5901 10.3411 10.3882 11.1530 11.3926 11.8127 12.0592 13.5128 13.5575 14.2386 14.3133 14.9314 15.0433 15.1566 15.2259 k =-0.2365 0.3908 0.6858 ( 2804 PWs) bands (ev): -30.3057 -30.3057 -11.3317 -11.3295 -9.9354 -9.9332 -9.8742 -9.8711 1.8167 1.8586 2.9711 2.9890 5.2956 5.3954 6.8261 6.8644 7.4262 7.5955 7.7516 7.8379 7.9217 8.2994 8.6219 9.0878 9.5596 9.6132 10.3298 10.3804 11.1176 11.3351 11.8967 12.1278 13.4815 13.5322 14.2663 14.3417 14.9444 15.0218 15.1355 15.1713 k =-0.2431 0.4017 0.6731 ( 2799 PWs) bands (ev): -30.3058 -30.3058 -11.3312 -11.3292 -9.9358 -9.9337 -9.8724 -9.8696 1.7968 1.8384 2.9510 2.9683 5.3137 5.4183 6.8262 6.8685 7.4618 7.6389 7.7604 7.8557 7.9466 8.2901 8.6236 9.0848 9.5855 9.6394 10.3131 10.3663 11.0767 11.2768 11.9799 12.1940 13.4504 13.5118 14.3003 14.3752 14.9430 14.9839 15.1146 15.1573 k =-0.2497 0.4125 0.6603 ( 2801 PWs) bands (ev): -30.3059 -30.3058 -11.3308 -11.3290 -9.9362 -9.9341 -9.8709 -9.8684 1.7792 1.8205 2.9332 2.9498 5.3283 5.4372 6.8249 6.8713 7.4966 7.6772 7.7679 7.8728 7.9789 8.2816 8.6246 9.0794 9.6155 9.6687 10.2905 10.3450 11.0338 11.2205 12.0609 12.2572 13.4191 13.4955 14.3389 14.4118 14.8900 14.9864 15.0665 15.1951 k =-0.2563 0.4234 0.6476 ( 2803 PWs) bands (ev): -30.3059 -30.3059 -11.3304 -11.3288 -9.9365 -9.9345 -9.8694 -9.8672 1.7639 1.8050 2.9177 2.9338 5.3401 5.4527 6.8230 6.8730 7.5296 7.7053 7.7773 7.8911 8.0157 8.2739 8.6249 9.0720 9.6496 9.7013 10.2618 10.3160 10.9919 11.1690 12.1379 12.3165 13.3874 13.4827 14.3800 14.4491 14.8307 14.9653 15.0570 15.2404 k =-0.2628 0.4343 0.6349 ( 2809 PWs) bands (ev): -30.3060 -30.3060 -11.3300 -11.3287 -9.9368 -9.9348 -9.8682 -9.8663 1.7510 1.7919 2.9045 2.9201 5.3493 5.4650 6.8209 6.8740 7.5598 7.7192 7.7916 7.9111 8.0539 8.2671 8.6246 9.0634 9.6876 9.7372 10.2269 10.2793 10.9538 11.1242 12.2090 12.3712 13.3560 13.4725 14.4215 14.4847 14.7777 14.9187 15.0806 15.2885 k =-0.2694 0.4452 0.6222 ( 2803 PWs) bands (ev): -30.3060 -30.3060 -11.3297 -11.3286 -9.9371 -9.9351 -9.8671 -9.8656 1.7404 1.7811 2.8938 2.9089 5.3564 5.4746 6.8188 6.8745 7.5869 7.7216 7.8080 7.9319 8.0910 8.2611 8.6239 9.0545 9.7288 9.7761 10.1868 10.2359 10.9213 11.0875 12.2720 12.4201 13.3256 13.4646 14.4607 14.5162 14.7344 14.8718 15.1120 15.3300 k =-0.2760 0.4561 0.6094 ( 2799 PWs) bands (ev): -30.3061 -30.3060 -11.3294 -11.3285 -9.9372 -9.9353 -9.8662 -9.8651 1.7322 1.7727 2.8854 2.9002 5.3616 5.4817 6.8170 6.8746 7.6105 7.7180 7.8220 7.9515 8.1244 8.2557 8.6229 9.0460 9.7722 9.8173 10.1435 10.1877 10.8957 11.0593 12.3242 12.4619 13.2979 13.4585 14.4935 14.5425 14.7027 14.8313 15.1444 15.3352 k =-0.2826 0.4670 0.5967 ( 2804 PWs) bands (ev): -30.3061 -30.3061 -11.3292 -11.3286 -9.9374 -9.9355 -9.8655 -9.8647 1.7263 1.7667 2.8794 2.8939 5.3651 5.4866 6.8156 6.8746 7.6300 7.7116 7.8321 7.9675 8.1514 8.2509 8.6219 9.0390 9.8157 9.8584 10.1009 10.1381 10.8774 11.0396 12.3634 12.4946 13.2751 13.4542 14.5143 14.5658 14.6821 14.8002 15.1750 15.3108 k =-0.2892 0.4779 0.5840 ( 2804 PWs) bands (ev): -30.3061 -30.3061 -11.3290 -11.3286 -9.9374 -9.9355 -9.8650 -9.8646 1.7227 1.7631 2.8758 2.8901 5.3672 5.4894 6.8147 6.8746 7.6442 7.7049 7.8380 7.9780 8.1695 8.2471 8.6212 9.0344 9.8536 9.8924 10.0683 10.0928 10.8665 11.0280 12.3875 12.5159 13.2599 13.4517 14.5227 14.5862 14.6691 14.7809 15.2013 15.2848 k =-0.2958 0.4887 0.5713 ( 2802 PWs) bands (ev): -30.3061 -30.3061 -11.3289 -11.3286 -9.9375 -9.9356 -9.8648 -9.8646 1.7215 1.7619 2.8746 2.8889 5.3678 5.4903 6.8144 6.8746 7.6499 7.7017 7.8399 7.9817 8.1761 8.2455 8.6209 9.0328 9.8710 9.9061 10.0616 10.0661 10.8629 11.0242 12.3957 12.5233 13.2545 13.4509 14.5244 14.5953 14.6637 14.7744 15.2146 15.2713 k =-0.2958 0.4887 0.5713 ( 2802 PWs) bands (ev): -30.3061 -30.3061 -11.3289 -11.3286 -9.9375 -9.9356 -9.8648 -9.8646 1.7215 1.7619 2.8746 2.8889 5.3678 5.4903 6.8144 6.8746 7.6499 7.7017 7.8399 7.9817 8.1761 8.2455 8.6209 9.0328 9.8710 9.9061 10.0616 10.0661 10.8629 11.0242 12.3957 12.5233 13.2545 13.4509 14.5244 14.5953 14.6637 14.7744 15.2146 15.2713 k =-0.2892 0.4779 0.5586 ( 2802 PWs) bands (ev): -30.3061 -30.3060 -11.3291 -11.3290 -9.9379 -9.9365 -9.8649 -9.8648 1.7715 1.8101 2.8009 2.8132 5.4367 5.5581 6.8061 6.8702 7.6434 7.6998 7.8492 7.9609 8.1899 8.2594 8.6321 9.0555 9.9031 9.9065 10.0132 10.0252 10.8077 10.9612 12.3030 12.4401 13.1601 13.3582 14.5757 14.6273 14.7165 14.8424 15.2530 15.3021 k =-0.2826 0.4670 0.5459 ( 2802 PWs) bands (ev): -30.3060 -30.3060 -11.3294 -11.3293 -9.9382 -9.9372 -9.8649 -9.8648 1.8160 1.8515 2.7358 2.7445 5.5052 5.6247 6.7994 6.8655 7.6274 7.6931 7.8650 7.9447 8.2078 8.2739 8.6443 9.0805 9.8580 9.9395 9.9669 10.0221 10.7646 10.9103 12.2116 12.3575 13.0661 13.2661 14.6178 14.6573 14.7747 14.9040 15.2880 15.3298 k =-0.2761 0.4562 0.5332 ( 2802 PWs) bands (ev): -30.3060 -30.3059 -11.3297 -11.3294 -9.9384 -9.9379 -9.8649 -9.8648 1.8519 1.8824 2.6833 2.6866 5.5725 5.6890 6.7949 6.8607 7.6048 7.6809 7.8857 7.9342 8.2288 8.2892 8.6559 9.1073 9.7851 9.9054 9.9887 10.0444 10.7323 10.8711 12.1219 12.2755 12.9730 13.1749 14.6526 14.6857 14.8348 14.9563 15.3213 15.3552 k =-0.2695 0.4453 0.5205 ( 2798 PWs) bands (ev): -30.3059 -30.3059 -11.3300 -11.3295 -9.9385 -9.9384 -9.8650 -9.8647 1.8748 1.8984 2.6437 2.6481 5.6377 5.7498 6.7933 6.8563 7.5783 7.6633 7.9095 7.9298 8.2519 8.3055 8.6652 9.1355 9.7026 9.8539 10.0309 10.0764 10.7092 10.8428 12.0340 12.1944 12.8809 13.0849 14.6825 14.7125 14.8922 14.9967 15.3544 15.3791 k =-0.2629 0.4344 0.5078 ( 2798 PWs) bands (ev): -30.3059 -30.3059 -11.3302 -11.3294 -9.9388 -9.9384 -9.8650 -9.8646 1.8806 1.8955 2.6205 2.6342 5.6998 5.8058 6.7951 6.8530 7.5498 7.6408 7.9311 7.9351 8.2766 8.3228 8.6706 9.1639 9.6179 9.8050 10.0761 10.1135 10.6935 10.8242 11.9481 12.1143 12.7900 12.9961 14.7093 14.7378 14.9421 15.0225 15.3874 15.4028 k =-0.2563 0.4236 0.4951 ( 2794 PWs) bands (ev): -30.3059 -30.3059 -11.3303 -11.3293 -9.9391 -9.9382 -9.8650 -9.8644 1.8666 1.8725 2.6196 2.6431 5.7579 5.8557 6.8012 6.8512 7.5205 7.6147 7.9373 7.9616 8.3024 8.3409 8.6710 9.1902 9.5364 9.7616 10.1236 10.1542 10.6837 10.8141 11.8646 12.0351 12.7004 12.9088 14.7341 14.7618 14.9792 15.0326 15.4181 15.4286 k =-0.2498 0.4127 0.4824 ( 2802 PWs) bands (ev): -30.3059 -30.3059 -11.3303 -11.3292 -9.9392 -9.9378 -9.8650 -9.8643 1.8317 1.8336 2.6406 2.6727 5.8109 5.8985 6.8117 6.8517 7.4913 7.5860 7.9474 7.9885 8.3289 8.3598 8.6652 9.2091 9.4655 9.7258 10.1734 10.1981 10.6783 10.8113 11.7836 11.9571 12.6123 12.8229 14.7576 14.7844 14.9990 15.0276 15.4417 15.4598 k =-0.2432 0.4019 0.4697 ( 2802 PWs) bands (ev): -30.3059 -30.3059 -11.3303 -11.3289 -9.9391 -9.9373 -9.8650 -9.8641 1.7771 1.7850 2.6799 2.7189 5.8578 5.9332 6.8268 6.8548 7.4632 7.5556 7.9607 8.0155 8.3558 8.3792 8.6529 9.2082 9.4193 9.6996 10.2255 10.2449 10.6761 10.8148 11.7055 11.8802 12.5257 12.7385 14.7803 14.8051 14.9994 15.0103 15.4547 15.4976 k =-0.2366 0.3910 0.4570 ( 2806 PWs) bands (ev): -30.3059 -30.3059 -11.3302 -11.3286 -9.9389 -9.9366 -9.8649 -9.8640 1.7132 1.7253 2.7334 2.7777 5.8977 5.9594 6.8459 6.8610 7.4366 7.5244 7.9764 8.0420 8.3829 8.3990 8.6344 9.1758 9.4111 9.6838 10.2797 10.2944 10.6760 10.8234 11.6306 11.8045 12.4408 12.6557 14.8028 14.8227 14.9821 14.9851 15.4581 15.5263 k =-0.2301 0.3801 0.4443 ( 2814 PWs) bands (ev): -30.3060 -30.3059 -11.3300 -11.3283 -9.9385 -9.9358 -9.8649 -9.8638 1.6431 1.6581 2.7975 2.8456 5.9299 5.9772 6.8677 6.8703 7.4121 7.4927 7.9941 8.0679 8.4096 8.4186 8.6111 9.1228 9.4316 9.6785 10.3359 10.3464 10.6767 10.8364 11.5593 11.7302 12.3575 12.5745 14.8251 14.8331 14.9515 14.9591 15.4548 15.5265 k =-0.2235 0.3693 0.4316 ( 2814 PWs) bands (ev): -30.3060 -30.3060 -11.3298 -11.3278 -9.9380 -9.9348 -9.8648 -9.8636 1.5694 1.5862 2.8694 2.9204 5.9542 5.9870 6.8823 6.8906 7.3904 7.4611 8.0132 8.0927 8.4359 8.4370 8.5854 9.0657 9.4658 9.6834 10.3941 10.4009 10.6772 10.8530 11.4921 11.6573 12.2761 12.4950 14.8274 14.8471 14.9125 14.9442 15.4462 15.5201 k =-0.2169 0.3584 0.4189 ( 2814 PWs) bands (ev): -30.3061 -30.3060 -11.3295 -11.3273 -9.9374 -9.9337 -9.8647 -9.8634 1.4936 1.5117 2.9472 3.0006 5.9707 5.9897 6.8964 6.9124 7.3719 7.4297 8.0334 8.1158 8.4519 8.4613 8.5618 9.0129 9.5071 9.6975 10.4542 10.4577 10.6764 10.8724 11.4298 11.5860 12.1964 12.4172 14.8004 14.8562 14.8814 14.9478 15.4322 15.5086 k =-0.2103 0.3475 0.4062 ( 2820 PWs) bands (ev): -30.3061 -30.3061 -11.3291 -11.3268 -9.9366 -9.9325 -9.8646 -9.8631 1.4168 1.4357 3.0297 3.0849 5.9795 5.9862 6.9115 6.9311 7.3569 7.3987 8.0540 8.1366 8.4575 8.4855 8.5480 8.9688 9.5527 9.7198 10.5160 10.5167 10.6731 10.8940 11.3729 11.5166 12.1187 12.3410 14.7602 14.8136 14.8995 14.9634 15.4125 15.4909 k =-0.2038 0.3367 0.3935 ( 2820 PWs) bands (ev): -30.3062 -30.3062 -11.3287 -11.3262 -9.9357 -9.9312 -9.8644 -9.8629 1.3400 1.3593 3.1159 3.1727 5.9775 5.9815 6.9263 6.9448 7.3453 7.3684 8.0743 8.1543 8.4495 8.5086 8.5507 8.9361 9.6015 9.7490 10.5775 10.5793 10.6663 10.9171 11.3224 11.4496 12.0430 12.2665 14.7144 14.7631 14.9244 14.9847 15.3864 15.4657 k =-0.1972 0.3258 0.3808 ( 2816 PWs) bands (ev): -30.3063 -30.3063 -11.3282 -11.3255 -9.9346 -9.9298 -9.8643 -9.8626 1.2636 1.2831 3.2052 3.2633 5.9644 5.9774 6.9396 6.9527 7.3366 7.3388 8.0934 8.1683 8.4345 8.5308 8.5656 8.9160 9.6531 9.7841 10.6375 10.6438 10.6577 10.9410 11.2789 11.3856 11.9693 12.1938 14.6662 14.7108 14.9512 15.0091 15.3537 15.4325 k =-0.1906 0.3150 0.3682 ( 2812 PWs) bands (ev): -30.3064 -30.3064 -11.3276 -11.3248 -9.9334 -9.9282 -9.8640 -9.8623 1.1881 1.2076 3.2971 3.3564 5.9478 5.9681 6.9500 6.9544 7.3100 7.3295 8.1104 8.1782 8.4211 8.5529 8.5859 8.9088 9.7070 9.8242 10.6359 10.7071 10.7090 10.9647 11.2429 11.3258 11.8978 12.1227 14.6169 14.6573 14.9795 15.0356 15.3149 15.3915 k =-0.1840 0.3041 0.3555 ( 2810 PWs) bands (ev): -30.3065 -30.3065 -11.3270 -11.3240 -9.9322 -9.9267 -9.8638 -9.8619 1.1137 1.1331 3.3912 3.4515 5.9283 5.9543 6.9505 6.9566 7.2820 7.3225 8.1241 8.1840 8.4140 8.5760 8.6088 8.9133 9.7630 9.8681 10.6143 10.7729 10.7737 10.9873 11.2146 11.2722 11.8287 12.0532 14.5668 14.6028 15.0094 15.0638 15.2710 15.3442 k =-0.1775 0.2932 0.3428 ( 2800 PWs) bands (ev): -30.3066 -30.3066 -11.3263 -11.3233 -9.9308 -9.9250 -9.8635 -9.8615 1.0409 1.0600 3.4871 3.5484 5.9066 5.9368 6.9422 6.9587 7.2549 7.3142 8.1339 8.1864 8.4154 8.6008 8.6330 8.9276 9.8205 9.9149 10.5880 10.8352 10.8400 11.0084 11.1937 11.2283 11.7621 11.9855 14.5160 14.5467 15.0409 15.0930 15.2242 15.2929 k =-0.1709 0.2824 0.3301 ( 2800 PWs) bands (ev): -30.3067 -30.3067 -11.3256 -11.3224 -9.9294 -9.9234 -9.8631 -9.8611 0.9697 0.9885 3.5846 3.6467 5.8829 5.9164 6.9302 6.9560 7.2288 7.3035 8.1398 8.1863 8.4253 8.6277 8.6580 8.9498 9.8785 9.9630 10.5590 10.8861 10.9073 11.0311 11.1799 11.1988 11.6982 11.9195 14.4638 14.4886 15.0740 15.1206 15.1792 15.2404 k =-0.1643 0.2715 0.3174 ( 2804 PWs) bands (ev): -30.3068 -30.3068 -11.3248 -11.3216 -9.9279 -9.9217 -9.8626 -9.8606 0.9003 0.9187 3.6835 3.7464 5.8579 5.8936 6.9158 6.9486 7.2038 7.2899 8.1428 8.1845 8.4427 8.6566 8.6837 8.9777 9.9353 10.0108 10.5301 10.9128 10.9729 11.0667 11.1736 11.1869 11.6374 11.8551 14.4097 14.4281 15.1079 15.1145 15.1703 15.1900 k =-0.1578 0.2607 0.3047 ( 2796 PWs) bands (ev): -30.3070 -30.3070 -11.3240 -11.3207 -9.9264 -9.9200 -9.8621 -9.8601 0.8330 0.8509 3.7834 3.8470 5.8318 5.8689 6.8997 6.9369 7.1797 7.2735 8.1438 8.1818 8.4662 8.6869 8.7099 9.0097 9.9875 10.0557 10.5055 10.9132 11.0318 11.1207 11.1780 11.1910 11.5804 11.7924 14.3530 14.3646 15.0735 15.1272 15.1593 15.2009 k =-0.1512 0.2498 0.2920 ( 2797 PWs) bands (ev): -30.3071 -30.3071 -11.3232 -11.3199 -9.9249 -9.9183 -9.8615 -9.8595 0.7677 0.7851 3.8841 3.9484 5.8048 5.8428 6.8824 6.9214 7.1568 7.2546 8.1436 8.1784 8.4940 8.7180 8.7365 9.0445 10.0299 10.0945 10.4912 10.9034 11.0731 11.1782 11.2020 11.2124 11.5282 11.7315 14.2932 14.2982 15.0332 15.0921 15.1898 15.2370 k =-0.1446 0.2389 0.2793 ( 2801 PWs) bands (ev): -30.3072 -30.3072 -11.3224 -11.3190 -9.9233 -9.9168 -9.8608 -9.8588 0.7046 0.7214 3.9854 4.0502 5.7773 5.8156 6.8645 6.9029 7.1350 7.2338 8.1427 8.1745 8.5249 8.7495 8.7635 9.0810 10.0556 10.1234 10.4942 10.8976 11.0909 11.2072 11.2484 11.2718 11.4834 11.6722 14.2289 14.2303 14.9978 15.0552 15.2298 15.2755 k =-0.1380 0.2281 0.2666 ( 2813 PWs) bands (ev): -30.3074 -30.3074 -11.3215 -11.3181 -9.9218 -9.9152 -9.8600 -9.8581 0.6438 0.6600 4.0870 4.1523 5.7495 5.7877 6.8465 6.8823 7.1142 7.2120 8.1412 8.1699 8.5577 8.7808 8.7910 9.1182 10.0601 10.1385 10.5188 10.9041 11.0946 11.2250 11.3001 11.3466 11.4537 11.6148 14.1574 14.1644 14.9682 15.0236 15.2723 15.3160 k =-0.1315 0.2172 0.2539 ( 2819 PWs) bands (ev): -30.3076 -30.3075 -11.3206 -11.3172 -9.9203 -9.9138 -9.8591 -9.8572 0.5854 0.6010 4.1886 4.2543 5.7217 5.7595 6.8286 6.8603 7.0946 7.1896 8.1390 8.1644 8.5919 8.8116 8.8189 9.1555 10.0446 10.1374 10.5625 10.9271 11.0926 11.2402 11.3266 11.4246 11.4622 11.5598 14.0844 14.0961 14.9447 14.9977 15.3168 15.3581 k =-0.1249 0.2064 0.2412 ( 2823 PWs) bands (ev): -30.3077 -30.3077 -11.3197 -11.3164 -9.9189 -9.9124 -9.8581 -9.8563 0.5295 0.5444 4.2898 4.3558 5.6939 5.7312 6.8113 6.8378 7.0760 7.1675 8.1360 8.1578 8.6268 8.8415 8.8474 9.1924 10.0147 10.1204 10.6175 10.9669 11.0882 11.2534 11.3191 11.4914 11.5160 11.5203 14.0111 14.0262 14.9265 14.9770 15.3630 15.4019 k =-0.1183 0.1955 0.2285 ( 2821 PWs) bands (ev): -30.3078 -30.3078 -11.3188 -11.3155 -9.9175 -9.9112 -9.8570 -9.8554 0.4761 0.4903 4.3904 4.4566 5.6665 5.7031 6.7947 6.8155 7.0585 7.1461 8.1319 8.1498 8.6621 8.8704 8.8763 9.2284 9.9759 10.0894 10.6744 11.0205 11.0837 11.2648 11.3058 11.4515 11.5884 11.5912 13.9385 13.9556 14.9128 14.9607 15.4108 15.4470 k =-0.1117 0.1846 0.2158 ( 2827 PWs) bands (ev): -30.3080 -30.3080 -11.3179 -11.3147 -9.9161 -9.9101 -9.8558 -9.8543 0.4253 0.4388 4.4898 4.5561 5.6395 5.6754 6.7791 6.7940 7.0421 7.1259 8.1264 8.1403 8.6975 8.8980 8.9058 9.2631 9.9319 10.0478 10.7237 11.0804 11.0819 11.2760 11.3029 11.4036 11.6671 11.6742 13.8675 13.8854 14.9025 14.9478 15.4599 15.4934 k =-0.1052 0.1738 0.2031 ( 2831 PWs) bands (ev): -30.3081 -30.3081 -11.3171 -11.3139 -9.9149 -9.9091 -9.8546 -9.8532 0.3771 0.3899 4.5878 4.6538 5.6132 5.6484 6.7649 6.7740 7.0267 7.1072 8.1195 8.1289 8.7327 8.9240 8.9359 9.2963 9.8854 9.9984 10.7572 11.0779 11.1395 11.2936 11.3193 11.3597 11.7487 11.7586 13.7992 13.8162 14.8945 14.9373 15.5101 15.5407 k =-0.0986 0.1629 0.1904 ( 2827 PWs) bands (ev): -30.3083 -30.3083 -11.3162 -11.3131 -9.9137 -9.9082 -9.8532 -9.8520 0.3317 0.3437 4.6838 4.7492 5.5878 5.6225 6.7523 6.7560 7.0124 7.0901 8.1108 8.1157 8.7675 8.9483 8.9666 9.3276 9.8380 9.9438 10.7719 11.0733 11.1721 11.3141 11.3421 11.3608 11.8319 11.8438 13.7342 13.7488 14.8875 14.9279 15.5610 15.5887 k =-0.0920 0.1521 0.1777 ( 2827 PWs) bands (ev): -30.3084 -30.3084 -11.3153 -11.3124 -9.9127 -9.9074 -9.8519 -9.8508 0.2889 0.3002 4.7773 4.8416 5.5635 5.5978 6.7403 6.7417 6.9993 7.0750 8.1002 8.1005 8.8017 8.9706 8.9979 9.3567 9.7910 9.8860 10.7703 11.0646 11.1702 11.2864 11.4089 11.4258 11.9159 11.9295 13.6730 13.6838 14.8805 14.9186 15.6123 15.6370 k =-0.0854 0.1412 0.1650 ( 2827 PWs) bands (ev): -30.3085 -30.3085 -11.3145 -11.3117 -9.9117 -9.9068 -9.8505 -9.8496 0.2490 0.2595 4.8676 4.9302 5.5405 5.5747 6.7277 6.7329 6.9873 7.0618 8.0833 8.0878 8.8352 8.9908 9.0299 9.3832 9.7455 9.8265 10.7579 11.0522 11.1462 11.2619 11.4947 11.5082 12.0004 12.0155 13.6160 13.6215 14.8724 14.9085 15.6634 15.6846 k =-0.0789 0.1303 0.1523 ( 2827 PWs) bands (ev): -30.3087 -30.3087 -11.3137 -11.3110 -9.9108 -9.9063 -9.8491 -9.8484 0.2119 0.2216 4.9542 5.0140 5.5189 5.5536 6.7183 6.7264 6.9765 7.0508 8.0641 8.0733 8.8676 9.0086 9.0624 9.4064 9.7026 9.7665 10.7395 11.0374 11.1119 11.2399 11.5873 11.6015 12.0849 12.1014 13.5622 13.5632 14.8625 14.8966 15.7128 15.7280 k =-0.0723 0.1195 0.1396 ( 2825 PWs) bands (ev): -30.3088 -30.3088 -11.3130 -11.3104 -9.9100 -9.9058 -9.8477 -9.8471 0.1777 0.1866 5.0361 5.0920 5.4992 5.5351 6.7124 6.7223 6.9671 7.0419 8.0429 8.0569 8.8989 9.0239 9.0955 9.4255 9.6635 9.7073 10.7184 11.0215 11.0734 11.2175 11.6823 11.7007 12.1689 12.1867 13.5059 13.5144 14.8503 14.8823 15.7221 15.7385 k =-0.0657 0.1086 0.1269 ( 2833 PWs) bands (ev): -30.3089 -30.3089 -11.3122 -11.3099 -9.9092 -9.9055 -9.8463 -9.8459 0.1463 0.1545 5.1124 5.1627 5.4818 5.5199 6.7102 6.7206 6.9591 7.0351 8.0200 8.0384 8.9286 9.0366 9.1291 9.4392 9.6294 9.6499 10.6970 11.0055 11.0333 11.1937 11.7776 11.8023 12.2520 12.2711 13.4526 13.4693 14.8356 14.8653 15.6352 15.6450 k =-0.0592 0.0977 0.1143 ( 2819 PWs) bands (ev): -30.3090 -30.3090 -11.3115 -11.3094 -9.9086 -9.9052 -9.8450 -9.8447 0.1179 0.1253 5.1821 5.2242 5.4673 5.5092 6.7116 6.7211 6.9530 7.0304 7.9956 8.0182 8.9566 9.0466 9.1631 9.4462 9.5954 9.6021 10.6769 10.9900 10.9932 11.1683 11.8714 11.9036 12.3337 12.3540 13.4022 13.4274 14.8186 14.8456 15.5382 15.5421 k =-0.0526 0.0869 0.1016 ( 2815 PWs) bands (ev): -30.3091 -30.3091 -11.3109 -11.3090 -9.9080 -9.9050 -9.8438 -9.8436 0.0925 0.0990 5.2432 5.2741 5.4572 5.5048 6.7164 6.7238 6.9488 7.0276 7.9701 7.9962 8.9823 9.0539 9.1973 9.4453 9.5447 9.5824 10.6594 10.9531 10.9760 11.1418 11.9625 12.0023 12.4136 12.4348 13.3544 13.3877 14.7995 14.8236 15.4437 15.4445 k =-0.0460 0.0760 0.0889 ( 2805 PWs) bands (ev): -30.3092 -30.3091 -11.3103 -11.3086 -9.9075 -9.9049 -9.8427 -9.8426 0.0700 0.0757 5.2927 5.3102 5.4539 5.5086 6.7240 6.7281 6.9471 7.0266 7.9443 7.9730 9.0053 9.0588 9.2315 9.4371 9.4990 9.5695 10.6454 10.9139 10.9639 11.1147 12.0496 12.0962 12.4911 12.5128 13.3091 13.3496 14.7790 14.7998 15.3541 15.3550 k =-0.0394 0.0652 0.0762 ( 2809 PWs) bands (ev): -30.3092 -30.3092 -11.3098 -11.3083 -9.9070 -9.9048 -9.8417 -9.8416 0.0505 0.0555 5.3265 5.3320 5.4613 5.5204 6.7331 6.7338 6.9483 7.0269 7.9189 7.9490 9.0252 9.0618 9.2651 9.4243 9.4596 9.5602 10.6358 10.8757 10.9541 11.0877 12.1314 12.1831 12.5658 12.5869 13.2660 13.3121 14.7579 14.7754 15.2722 15.2740 k =-0.0329 0.0543 0.0635 ( 2809 PWs) bands (ev): -30.3093 -30.3093 -11.3093 -11.3080 -9.9066 -9.9048 -9.8409 -9.8408 0.0341 0.0382 5.3424 5.3432 5.4806 5.5373 6.7399 6.7430 6.9528 7.0278 7.8949 7.9249 9.0415 9.0633 9.2973 9.4098 9.4280 9.5514 10.6311 10.8387 10.9471 11.0616 12.2067 12.2604 12.6370 12.6563 13.2253 13.2746 14.7373 14.7513 15.1999 15.2021 k =-0.0263 0.0434 0.0508 ( 2807 PWs) bands (ev): -30.3093 -30.3093 -11.3089 -11.3079 -9.9063 -9.9048 -9.8402 -9.8401 0.0207 0.0240 5.3460 5.3484 5.5061 5.5545 6.7465 6.7519 6.9607 7.0285 7.8737 7.9015 9.0536 9.0640 9.3261 9.3955 9.4068 9.5407 10.6317 10.8033 10.9434 11.0369 12.2739 12.3258 12.7040 12.7198 13.1871 13.2364 14.7183 14.7290 15.1387 15.1408 k =-0.0197 0.0326 0.0381 ( 2807 PWs) bands (ev): -30.3094 -30.3094 -11.3085 -11.3078 -9.9059 -9.9048 -9.8396 -9.8396 0.0104 0.0128 5.3464 5.3485 5.5312 5.5686 6.7526 6.7589 6.9717 7.0279 7.8566 7.8802 9.0617 9.0644 9.3451 9.3824 9.4021 9.5271 10.6376 10.7699 10.9430 11.0143 12.3316 12.3768 12.7652 12.7760 13.1525 13.1978 14.7021 14.7097 15.0896 15.0914 k =-0.0131 0.0217 0.0254 ( 2803 PWs) bands (ev): -30.3094 -30.3094 -11.3082 -11.3077 -9.9057 -9.9049 -9.8392 -9.8392 0.0031 0.0047 5.3457 5.3471 5.5524 5.5777 6.7580 6.7633 6.9846 7.0250 7.8448 7.8620 9.0651 9.0659 9.3503 9.3709 9.4175 9.5100 10.6489 10.7388 10.9462 10.9942 12.3777 12.4114 12.8176 12.8228 13.1237 13.1601 14.6898 14.6946 15.0538 15.0551 k =-0.0066 0.0109 0.0127 ( 2807 PWs) bands (ev): -30.3094 -30.3094 -11.3080 -11.3077 -9.9054 -9.9051 -9.8389 -9.8389 -0.0011 -0.0003 5.3450 5.3457 5.5680 5.5808 6.7621 6.7651 6.9979 7.0190 7.8394 7.8485 9.0660 9.0673 9.3515 9.3616 9.4416 9.4896 10.6651 10.7106 10.9530 10.9772 12.4105 12.4285 12.8551 12.8561 13.1060 13.1271 14.6824 14.6847 15.0321 15.0328 k = 0.0000 0.0000 0.0000 ( 2807 PWs) bands (ev): -30.3094 -30.3094 -11.3078 -11.3078 -9.9052 -9.9052 -9.8388 -9.8388 -0.0022 -0.0022 5.3450 5.3450 5.5776 5.5776 6.7646 6.7646 7.0098 7.0098 7.8407 7.8407 9.0670 9.0670 9.3550 9.3550 9.4665 9.4665 10.6858 10.6858 10.9633 10.9633 12.4279 12.4279 12.8690 12.8690 13.1066 13.1066 14.6806 14.6806 15.0250 15.0250 k = 0.0000 0.0000 0.0000 ( 2807 PWs) bands (ev): -30.3094 -30.3094 -11.3078 -11.3078 -9.9052 -9.9052 -9.8388 -9.8388 -0.0022 -0.0022 5.3450 5.3450 5.5776 5.5776 6.7646 6.7646 7.0098 7.0098 7.8407 7.8407 9.0670 9.0670 9.3550 9.3550 9.4665 9.4665 10.6858 10.6858 10.9633 10.9633 12.4279 12.4279 12.8690 12.8690 13.1066 13.1066 14.6806 14.6806 15.0250 15.0250 k = 0.0152 0.0092 0.0000 ( 2807 PWs) bands (ev): -30.3094 -30.3094 -11.3079 -11.3079 -9.9053 -9.9053 -9.8388 -9.8388 -0.0010 -0.0010 5.3400 5.3400 5.5769 5.5769 6.7651 6.7651 7.0105 7.0105 7.8394 7.8394 9.0675 9.0675 9.3569 9.3569 9.4737 9.4737 10.6822 10.6822 10.9597 10.9597 12.4317 12.4317 12.8729 12.8729 13.1056 13.1056 14.6797 14.6797 15.0238 15.0238 k = 0.0303 0.0183 0.0000 ( 2815 PWs) bands (ev): -30.3094 -30.3094 -11.3079 -11.3079 -9.9054 -9.9054 -9.8388 -9.8388 0.0028 0.0028 5.3253 5.3253 5.5748 5.5748 6.7667 6.7667 7.0129 7.0129 7.8356 7.8356 9.0690 9.0690 9.3626 9.3626 9.4951 9.4951 10.6714 10.6714 10.9489 10.9489 12.4431 12.4431 12.8844 12.8844 13.1029 13.1029 14.6772 14.6772 15.0200 15.0200 k = 0.0455 0.0275 0.0000 ( 2815 PWs) bands (ev): -30.3094 -30.3094 -11.3080 -11.3080 -9.9055 -9.9055 -9.8389 -9.8389 0.0090 0.0090 5.3011 5.3011 5.5714 5.5714 6.7693 6.7693 7.0168 7.0168 7.8295 7.8295 9.0715 9.0715 9.3720 9.3720 9.5303 9.5303 10.6539 10.6539 10.9312 10.9312 12.4615 12.4615 12.9032 12.9032 13.0986 13.0986 14.6729 14.6729 15.0139 15.0139 k = 0.0606 0.0367 0.0000 ( 2815 PWs) bands (ev): -30.3094 -30.3094 -11.3080 -11.3080 -9.9058 -9.9058 -9.8389 -9.8389 0.0177 0.0177 5.2680 5.2680 5.5666 5.5666 6.7730 6.7730 7.0222 7.0222 7.8210 7.8210 9.0747 9.0747 9.3853 9.3853 9.5785 9.5785 10.6302 10.6302 10.9073 10.9073 12.4862 12.4862 12.9285 12.9285 13.0932 13.0932 14.6669 14.6669 15.0053 15.0053 k = 0.0758 0.0458 0.0000 ( 2815 PWs) bands (ev): -30.3094 -30.3094 -11.3081 -11.3081 -9.9061 -9.9061 -9.8389 -9.8389 0.0288 0.0288 5.2266 5.2266 5.5606 5.5606 6.7778 6.7778 7.0292 7.0292 7.8106 7.8106 9.0787 9.0787 9.4025 9.4025 9.6388 9.6388 10.6011 10.6011 10.8777 10.8777 12.5162 12.5162 12.9594 12.9594 13.0872 13.0872 14.6592 14.6592 14.9945 14.9945 k = 0.0909 0.0550 0.0000 ( 2819 PWs) bands (ev): -30.3094 -30.3094 -11.3083 -11.3083 -9.9064 -9.9064 -9.8389 -9.8389 0.0424 0.0424 5.1777 5.1777 5.5535 5.5535 6.7837 6.7837 7.0376 7.0376 7.7982 7.7982 9.0831 9.0831 9.4235 9.4235 9.7099 9.7099 10.5675 10.5675 10.8431 10.8431 12.5505 12.5505 12.9949 12.9949 13.0815 13.0815 14.6497 14.6497 14.9815 14.9815 k = 0.1061 0.0642 0.0000 ( 2815 PWs) bands (ev): -30.3094 -30.3094 -11.3084 -11.3084 -9.9068 -9.9068 -9.8389 -9.8389 0.0582 0.0582 5.1221 5.1221 5.5452 5.5452 6.7906 6.7906 7.0475 7.0475 7.7842 7.7842 9.0879 9.0879 9.4484 9.4484 9.7906 9.7906 10.5303 10.5303 10.8044 10.8044 12.5879 12.5879 13.0339 13.0339 13.0768 13.0768 14.6383 14.6383 14.9665 14.9665 k = 0.1212 0.0734 0.0000 ( 2815 PWs) bands (ev): -30.3094 -30.3094 -11.3086 -11.3086 -9.9073 -9.9073 -9.8389 -9.8389 0.0762 0.0762 5.0606 5.0606 5.5360 5.5360 6.7986 6.7986 7.0588 7.0588 7.7687 7.7687 9.0929 9.0929 9.4770 9.4770 9.8792 9.8792 10.4906 10.4906 10.7622 10.7622 12.6269 12.6269 13.0739 13.0739 13.0753 13.0753 14.6251 14.6251 14.9497 14.9497 k = 0.1364 0.0825 0.0000 ( 2815 PWs) bands (ev): -30.3094 -30.3094 -11.3088 -11.3088 -9.9078 -9.9078 -9.8389 -9.8389 0.0965 0.0965 4.9942 4.9942 5.5259 5.5259 6.8076 6.8076 7.0714 7.0714 7.7520 7.7520 9.0980 9.0980 9.5091 9.5091 9.9735 9.9735 10.4501 10.4501 10.7173 10.7173 12.6665 12.6665 13.0741 13.0741 13.1176 13.1176 14.6100 14.6100 14.9311 14.9311 k = 0.1515 0.0917 0.0000 ( 2815 PWs) bands (ev): -30.3094 -30.3094 -11.3090 -11.3090 -9.9084 -9.9084 -9.8390 -9.8390 0.1188 0.1188 4.9237 4.9237 5.5150 5.5150 6.8175 6.8175 7.0853 7.0853 7.7342 7.7342 9.1032 9.1032 9.5447 9.5447 10.0697 10.0697 10.4121 10.4121 10.6702 10.6702 12.7054 12.7054 13.0780 13.0780 13.1599 13.1599 14.5929 14.5929 14.9111 14.9111 k = 0.1667 0.1009 0.0000 ( 2815 PWs) bands (ev): -30.3094 -30.3094 -11.3092 -11.3092 -9.9090 -9.9090 -9.8390 -9.8390 0.1430 0.1430 4.8499 4.8499 5.5036 5.5036 6.8281 6.8281 7.1004 7.1004 7.7156 7.7156 9.1084 9.1084 9.5834 9.5834 10.1575 10.1575 10.3862 10.3862 10.6216 10.6216 12.7425 12.7425 13.0865 13.0865 13.2008 13.2008 14.5738 14.5738 14.8899 14.8899 k = 0.1818 0.1100 0.0000 ( 2815 PWs) bands (ev): -30.3094 -30.3094 -11.3094 -11.3094 -9.9096 -9.9096 -9.8390 -9.8390 0.1690 0.1690 4.7735 4.7735 5.4916 5.4916 6.8395 6.8395 7.1165 7.1165 7.6964 7.6964 9.1134 9.1134 9.6251 9.6251 10.2061 10.2061 10.4023 10.4023 10.5720 10.5720 12.7773 12.7773 13.0998 13.0998 13.2392 13.2392 14.5526 14.5526 14.8677 14.8677 k = 0.1970 0.1192 0.0000 ( 2823 PWs) bands (ev): -30.3094 -30.3094 -11.3096 -11.3096 -9.9103 -9.9103 -9.8391 -9.8391 0.1968 0.1968 4.6953 4.6953 5.4792 5.4792 6.8515 6.8515 7.1337 7.1337 7.6769 7.6769 9.1185 9.1185 9.6693 9.6693 10.1962 10.1962 10.4791 10.4791 10.5218 10.5218 12.8099 12.8099 13.1180 13.1180 13.2740 13.2740 14.5294 14.5294 14.8448 14.8448 k = 0.2121 0.1284 0.0000 ( 2831 PWs) bands (ev): -30.3094 -30.3094 -11.3099 -11.3099 -9.9109 -9.9109 -9.8391 -9.8391 0.2260 0.2260 4.6160 4.6160 5.4666 5.4666 6.8638 6.8638 7.1518 7.1518 7.6572 7.6572 9.1233 9.1233 9.7157 9.7157 10.1602 10.1602 10.4716 10.4716 10.5831 10.5831 12.8407 12.8407 13.1403 13.1403 13.3042 13.3042 14.5042 14.5042 14.8213 14.8213 k = 0.2273 0.1375 0.0000 ( 2823 PWs) bands (ev): -30.3094 -30.3094 -11.3101 -11.3101 -9.9116 -9.9116 -9.8391 -9.8391 0.2566 0.2566 4.5361 4.5361 5.4539 5.4539 6.8765 6.8765 7.1706 7.1706 7.6376 7.6376 9.1281 9.1281 9.7640 9.7640 10.1166 10.1166 10.4217 10.4217 10.6949 10.6949 12.8708 12.8708 13.1659 13.1659 13.3293 13.3293 14.4769 14.4769 14.7977 14.7977 k = 0.2424 0.1467 0.0000 ( 2815 PWs) bands (ev): -30.3093 -30.3093 -11.3104 -11.3104 -9.9123 -9.9123 -9.8391 -9.8391 0.2884 0.2884 4.4563 4.4563 5.4411 5.4411 6.8892 6.8892 7.1901 7.1901 7.6184 7.6184 9.1327 9.1327 9.8136 9.8136 10.0706 10.0706 10.3727 10.3727 10.8082 10.8082 12.9012 12.9012 13.1940 13.1940 13.3486 13.3486 14.4478 14.4478 14.7741 14.7741 k = 0.2576 0.1559 0.0000 ( 2803 PWs) bands (ev): -30.3093 -30.3093 -11.3106 -11.3106 -9.9130 -9.9130 -9.8392 -9.8392 0.3210 0.3210 4.3772 4.3772 5.4285 5.4285 6.9018 6.9018 7.2101 7.2101 7.5998 7.5998 9.1371 9.1371 9.8640 9.8640 10.0241 10.0241 10.3249 10.3249 10.9200 10.9200 12.9324 12.9324 13.2245 13.2245 13.3620 13.3620 14.4168 14.4168 14.7508 14.7508 k = 0.2727 0.1651 0.0000 ( 2803 PWs) bands (ev): -30.3093 -30.3093 -11.3108 -11.3108 -9.9137 -9.9137 -9.8392 -9.8392 0.3544 0.3544 4.2991 4.2991 5.4161 5.4161 6.9141 6.9141 7.2304 7.2304 7.5821 7.5821 9.1412 9.1412 9.9146 9.9146 9.9779 9.9779 10.2789 10.2789 11.0282 11.0282 12.9645 12.9645 13.2579 13.2579 13.3696 13.3696 14.3842 14.3842 14.7281 14.7281 k = 0.2879 0.1742 0.0000 ( 2807 PWs) bands (ev): -30.3093 -30.3093 -11.3111 -11.3111 -9.9144 -9.9144 -9.8392 -9.8392 0.3881 0.3881 4.2227 4.2227 5.4039 5.4039 6.9259 6.9259 7.2509 7.2509 7.5654 7.5654 9.1451 9.1451 9.9328 9.9328 9.9641 9.9641 10.2357 10.2357 11.1311 11.1311 12.9962 12.9962 13.2959 13.2959 13.3718 13.3718 14.3502 14.3502 14.7059 14.7059 k = 0.3030 0.1834 0.0000 ( 2804 PWs) bands (ev): -30.3093 -30.3093 -11.3113 -11.3113 -9.9151 -9.9151 -9.8392 -9.8392 0.4220 0.4220 4.1485 4.1485 5.3922 5.3922 6.9369 6.9369 7.2714 7.2714 7.5500 7.5500 9.1487 9.1487 9.8890 9.8890 10.0105 10.0105 10.1973 10.1973 11.2275 11.2275 13.0259 13.0259 13.3410 13.3410 13.3693 13.3693 14.3151 14.3151 14.6847 14.6847 k = 0.3182 0.1926 0.0000 ( 2804 PWs) bands (ev): -30.3093 -30.3093 -11.3116 -11.3116 -9.9157 -9.9157 -9.8393 -9.8393 0.4557 0.4557 4.0770 4.0770 5.3811 5.3811 6.9471 6.9471 7.2916 7.2916 7.5361 7.5361 9.1520 9.1520 9.8471 9.8471 10.0468 10.0468 10.1703 10.1703 11.3162 11.3162 13.0512 13.0512 13.3629 13.3629 13.3959 13.3959 14.2794 14.2794 14.6645 14.6645 k = 0.3333 0.2017 0.0000 ( 2812 PWs) bands (ev): -30.3093 -30.3093 -11.3118 -11.3118 -9.9164 -9.9164 -9.8393 -9.8393 0.4889 0.4889 4.0085 4.0085 5.3705 5.3705 6.9563 6.9563 7.3113 7.3113 7.5239 7.5239 9.1550 9.1550 9.8071 9.8071 10.0563 10.0563 10.1713 10.1713 11.3964 11.3964 13.0708 13.0708 13.3533 13.3533 13.4622 13.4622 14.2435 14.2435 14.6454 14.6454 k = 0.3485 0.2109 0.0000 ( 2816 PWs) bands (ev): -30.3093 -30.3093 -11.3120 -11.3120 -9.9169 -9.9169 -9.8393 -9.8393 0.5211 0.5211 3.9438 3.9438 5.3605 5.3605 6.9643 6.9643 7.3305 7.3305 7.5133 7.5133 9.1577 9.1577 9.7696 9.7696 10.0377 10.0377 10.2011 10.2011 11.4679 11.4679 13.0843 13.0843 13.3416 13.3416 13.5399 13.5399 14.2077 14.2077 14.6276 14.6276 k = 0.3636 0.2201 0.0000 ( 2816 PWs) bands (ev): -30.3093 -30.3093 -11.3122 -11.3122 -9.9175 -9.9175 -9.8394 -9.8394 0.5521 0.5521 3.8831 3.8831 5.3513 5.3513 6.9712 6.9712 7.3487 7.3487 7.5045 7.5045 9.1600 9.1600 9.7346 9.7346 10.0100 10.0100 10.2406 10.2406 11.5305 11.5305 13.0925 13.0925 13.3284 13.3284 13.6276 13.6276 14.1728 14.1728 14.6112 14.6112 k = 0.3788 0.2292 0.0000 ( 2816 PWs) bands (ev): -30.3093 -30.3093 -11.3124 -11.3124 -9.9180 -9.9180 -9.8394 -9.8394 0.5814 0.5814 3.8271 3.8271 5.3429 5.3429 6.9769 6.9769 7.3659 7.3659 7.4973 7.4973 9.1620 9.1620 9.7026 9.7026 9.9815 9.9815 10.2810 10.2810 11.5845 11.5845 13.0964 13.0964 13.3146 13.3146 13.7230 13.7230 14.1393 14.1393 14.5963 14.5963 k = 0.3939 0.2384 0.0000 ( 2820 PWs) bands (ev): -30.3093 -30.3093 -11.3126 -11.3126 -9.9185 -9.9185 -9.8394 -9.8394 0.6085 0.6085 3.7762 3.7762 5.3354 5.3354 6.9815 6.9815 7.3817 7.3817 7.4917 7.4917 9.1636 9.1636 9.6736 9.6736 9.9547 9.9547 10.3196 10.3196 11.6303 11.6303 13.0973 13.0973 13.3009 13.3009 13.8227 13.8227 14.1077 14.1078 14.5829 14.5829 k = 0.4091 0.2476 0.0000 ( 2820 PWs) bands (ev): -30.3093 -30.3093 -11.3127 -11.3127 -9.9189 -9.9189 -9.8394 -9.8394 0.6331 0.6331 3.7309 3.7309 5.3288 5.3288 6.9850 6.9850 7.3960 7.3960 7.4875 7.4875 9.1650 9.1650 9.6480 9.6480 9.9306 9.9306 10.3549 10.3549 11.6685 11.6685 13.0961 13.0961 13.2879 13.2879 13.9233 13.9233 14.0788 14.0788 14.5711 14.5711 k = 0.4242 0.2568 0.0000 ( 2816 PWs) bands (ev): -30.3092 -30.3092 -11.3128 -11.3128 -9.9192 -9.9192 -9.8394 -9.8394 0.6548 0.6548 3.6916 3.6916 5.3231 5.3231 6.9876 6.9876 7.4084 7.4084 7.4845 7.4845 9.1660 9.1660 9.6259 9.6259 9.9096 9.9096 10.3861 10.3861 11.6997 11.6997 13.0938 13.0938 13.2761 13.2761 14.0207 14.0207 14.0531 14.0531 14.5610 14.5610 k = 0.4394 0.2659 0.0000 ( 2820 PWs) bands (ev): -30.3092 -30.3092 -11.3129 -11.3129 -9.9195 -9.9195 -9.8394 -9.8394 0.6732 0.6732 3.6588 3.6588 5.3184 5.3184 6.9895 6.9895 7.4190 7.4190 7.4824 7.4824 9.1668 9.1668 9.6076 9.6076 9.8922 9.8922 10.4125 10.4125 11.7244 11.7244 13.0911 13.0911 13.2659 13.2659 14.0312 14.0312 14.1103 14.1103 14.5527 14.5527 k = 0.4545 0.2751 0.0000 ( 2824 PWs) bands (ev): -30.3092 -30.3092 -11.3130 -11.3130 -9.9197 -9.9197 -9.8395 -9.8395 0.6878 0.6878 3.6329 3.6329 5.3147 5.3147 6.9907 6.9907 7.4273 7.4273 7.4811 7.4811 9.1674 9.1674 9.5931 9.5931 9.8784 9.8784 10.4337 10.4337 11.7431 11.7431 13.0884 13.0884 13.2576 13.2576 14.0136 14.0136 14.1874 14.1874 14.5462 14.5462 k = 0.4697 0.2843 0.0000 ( 2824 PWs) bands (ev): -30.3092 -30.3092 -11.3131 -11.3131 -9.9199 -9.9199 -9.8395 -9.8395 0.6986 0.6986 3.6141 3.6141 5.3121 5.3121 6.9915 6.9915 7.4334 7.4334 7.4803 7.4803 9.1678 9.1678 9.5827 9.5827 9.8685 9.8685 10.4491 10.4491 11.7562 11.7562 13.0863 13.0863 13.2515 13.2515 14.0007 14.0007 14.2471 14.2471 14.5415 14.5415 k = 0.4848 0.2934 0.0000 ( 2824 PWs) bands (ev): -30.3092 -30.3092 -11.3131 -11.3131 -9.9200 -9.9200 -9.8395 -9.8395 0.7051 0.7051 3.6028 3.6028 5.3105 5.3105 6.9919 6.9919 7.4371 7.4371 7.4799 7.4799 9.1680 9.1680 9.5764 9.5764 9.8625 9.8625 10.4585 10.4585 11.7639 11.7639 13.0849 13.0849 13.2478 13.2478 13.9928 13.9928 14.2850 14.2850 14.5387 14.5387 k = 0.5000 0.3026 0.0000 ( 2828 PWs) bands (ev): -30.3092 -30.3092 -11.3131 -11.3131 -9.9200 -9.9200 -9.8395 -9.8395 0.7073 0.7073 3.5990 3.5990 5.3099 5.3099 6.9920 6.9920 7.4383 7.4383 7.4798 7.4798 9.1680 9.1680 9.5743 9.5743 9.8604 9.8604 10.4616 10.4616 11.7665 11.7665 13.0844 13.0844 13.2465 13.2465 13.9901 13.9901 14.2980 14.2980 14.5377 14.5377 k = 0.5000 0.3026 0.0000 ( 2828 PWs) bands (ev): -30.3092 -30.3092 -11.3131 -11.3131 -9.9200 -9.9200 -9.8395 -9.8395 0.7073 0.7073 3.5990 3.5990 5.3099 5.3099 6.9920 6.9920 7.4383 7.4383 7.4798 7.4798 9.1680 9.1680 9.5743 9.5743 9.8604 9.8604 10.4616 10.4616 11.7665 11.7665 13.0844 13.0844 13.2465 13.2465 13.9901 13.9901 14.2980 14.2980 14.5377 14.5377 k = 0.4934 0.3135 0.0127 ( 2826 PWs) bands (ev): -30.3092 -30.3092 -11.3132 -11.3131 -9.9202 -9.9199 -9.8395 -9.8395 0.7075 0.7093 3.5999 3.6005 5.3046 5.3115 6.9775 7.0068 7.4212 7.4420 7.4687 7.5045 9.1609 9.1678 9.5575 9.5869 9.8378 9.8708 10.4590 10.4773 11.7656 11.7787 13.0717 13.0967 13.2442 13.2483 13.9906 13.9928 14.2963 14.3076 14.5378 14.5413 k = 0.4868 0.3244 0.0254 ( 2824 PWs) bands (ev): -30.3092 -30.3092 -11.3134 -11.3131 -9.9203 -9.9197 -9.8398 -9.8398 0.7102 0.7138 3.6033 3.6046 5.2955 5.3094 6.9632 7.0218 7.3922 7.4417 7.4697 7.5332 9.1477 9.1588 9.5384 9.5929 9.8058 9.8686 10.4705 10.5023 11.7763 11.8024 13.0575 13.1094 13.2405 13.2511 13.9942 13.9984 14.3024 14.3247 14.5416 14.5485 k = 0.4802 0.3353 0.0382 ( 2824 PWs) bands (ev): -30.3092 -30.3092 -11.3136 -11.3131 -9.9205 -9.9196 -9.8402 -9.8402 0.7152 0.7205 3.6093 3.6110 5.2826 5.3036 6.9492 7.0369 7.3595 7.4412 7.4749 7.5622 9.1293 9.1400 9.5190 9.5900 9.7685 9.8574 10.4936 10.5317 11.7988 11.8376 13.0403 13.1221 13.2362 13.2567 14.0010 14.0069 14.3158 14.3483 14.5488 14.5593 k = 0.4736 0.3461 0.0509 ( 2824 PWs) bands (ev): -30.3092 -30.3091 -11.3139 -11.3132 -9.9207 -9.9195 -9.8408 -9.8407 0.7225 0.7296 3.6175 3.6198 5.2659 5.2939 6.9356 7.0521 7.3255 7.4414 7.4822 7.5906 9.1065 9.1113 9.5001 9.5765 9.7293 9.8426 10.5237 10.5614 11.8332 11.8842 13.0192 13.1328 13.2339 13.2667 14.0108 14.0179 14.3354 14.3771 14.5595 14.5737 k = 0.4671 0.3570 0.0636 ( 2820 PWs) bands (ev): -30.3091 -30.3091 -11.3142 -11.3134 -9.9209 -9.9193 -9.8415 -9.8414 0.7322 0.7411 3.6281 3.6307 5.2454 5.2805 6.9225 7.0673 7.2915 7.4426 7.4910 7.6183 9.0732 9.0801 9.4814 9.5517 9.6911 9.8287 10.5558 10.5883 11.8798 11.9417 12.9937 13.1375 13.2383 13.2820 14.0235 14.0315 14.3599 14.4097 14.5734 14.5916 k = 0.4605 0.3679 0.0763 ( 2816 PWs) bands (ev): -30.3090 -30.3090 -11.3146 -11.3136 -9.9211 -9.9192 -9.8423 -9.8422 0.7442 0.7549 3.6407 3.6436 5.2210 5.2633 6.9101 7.0822 7.2583 7.4448 7.5009 7.6453 9.0274 9.0504 9.4615 9.5170 9.6562 9.8178 10.5861 10.6104 11.9385 12.0094 12.9639 13.1330 13.2533 13.3029 14.0388 14.0473 14.3879 14.4446 14.5901 14.6129 k = 0.4539 0.3788 0.0891 ( 2816 PWs) bands (ev): -30.3090 -30.3089 -11.3150 -11.3139 -9.9214 -9.9192 -9.8433 -9.8432 0.7585 0.7710 3.6552 3.6583 5.1930 5.2424 6.8984 7.0960 7.2272 7.4482 7.5119 7.6717 8.9759 9.0178 9.4380 9.4750 9.6269 9.8099 10.6117 10.6266 12.0086 12.0858 12.9301 13.1208 13.2780 13.3290 14.0563 14.0652 14.4179 14.4802 14.6090 14.6374 k = 0.4473 0.3897 0.1018 ( 2814 PWs) bands (ev): -30.3089 -30.3089 -11.3154 -11.3143 -9.9216 -9.9191 -9.8444 -9.8442 0.7752 0.7894 3.6713 3.6744 5.1613 5.2180 6.8878 7.1065 7.2010 7.4528 7.5239 7.6977 8.9207 8.9826 9.4089 9.4287 9.6046 9.8040 10.6313 10.6366 12.0892 12.1692 12.8925 13.1039 13.3098 13.3601 14.0757 14.0849 14.4483 14.5153 14.6290 14.6647 k = 0.4407 0.4006 0.1145 ( 2808 PWs) bands (ev): -30.3088 -30.3088 -11.3159 -11.3146 -9.9219 -9.9191 -9.8456 -9.8454 0.7942 0.8101 3.6886 3.6914 5.1264 5.1902 6.8782 7.1083 7.1856 7.4586 7.5369 7.7234 8.8634 8.9452 9.3736 9.3806 9.5893 9.7992 10.6404 10.6441 12.1788 12.2570 12.8512 13.0845 13.3470 13.3955 14.0966 14.1061 14.4773 14.5484 14.6474 14.6944 k = 0.4341 0.4115 0.1272 ( 2804 PWs) bands (ev): -30.3087 -30.3087 -11.3165 -11.3151 -9.9222 -9.9192 -9.8468 -9.8466 0.8155 0.8331 3.7066 3.7090 5.0887 5.1596 6.8699 7.0963 7.1863 7.4657 7.5509 7.7489 8.8055 8.9058 9.3322 9.3330 9.5799 9.7949 10.6386 10.6503 12.2753 12.3462 12.8062 13.0643 13.3883 13.4349 14.1188 14.1287 14.5018 14.5782 14.6582 14.7258 k = 0.4275 0.4223 0.1400 ( 2796 PWs) bands (ev): -30.3086 -30.3085 -11.3171 -11.3156 -9.9226 -9.9193 -9.8482 -9.8478 0.8391 0.8584 3.7247 3.7263 5.0487 5.1267 6.8630 7.0759 7.1981 7.4738 7.5657 7.7745 8.7479 8.8645 9.2851 9.2883 9.5749 9.7908 10.6316 10.6502 12.3760 12.4325 12.7580 13.0452 13.4331 13.4776 14.1423 14.1524 14.5132 14.6026 14.6535 14.7580 k = 0.4209 0.4332 0.1527 ( 2792 PWs) bands (ev): -30.3085 -30.3084 -11.3177 -11.3161 -9.9230 -9.9194 -9.8495 -9.8491 0.8650 0.8860 3.7420 3.7427 5.0075 5.0924 6.8576 7.0536 7.2148 7.4832 7.5814 7.8002 8.6913 8.8217 9.2397 9.2408 9.5730 9.7869 10.6201 10.6445 12.4757 12.5092 12.7091 13.0308 13.4807 13.5231 14.1674 14.1772 14.4893 14.6176 14.6445 14.7896 k = 0.4144 0.4441 0.1654 ( 2802 PWs) bands (ev): -30.3083 -30.3083 -11.3183 -11.3167 -9.9235 -9.9197 -9.8509 -9.8505 0.8932 0.9157 3.7571 3.7575 4.9661 5.0577 6.8537 7.0319 7.2340 7.4935 7.5978 7.8260 8.6362 8.7775 9.1912 9.1970 9.5734 9.7830 10.6046 10.6340 12.5510 12.5668 12.6802 13.0274 13.5307 13.5709 14.1947 14.2029 14.4218 14.6150 14.6542 14.8181 k = 0.4078 0.4550 0.1781 ( 2798 PWs) bands (ev): -30.3082 -30.3082 -11.3190 -11.3173 -9.9240 -9.9200 -9.8524 -9.8518 0.9235 0.9477 3.7683 3.7699 4.9260 5.0242 6.8513 7.0117 7.2547 7.5049 7.6150 7.8523 8.5830 8.7322 9.1406 9.1572 9.5757 9.7795 10.5859 10.6195 12.5354 12.5939 12.7352 13.0431 13.5823 13.6204 14.2247 14.2294 14.3359 14.5831 14.6755 14.8366 k = 0.4012 0.4659 0.1908 ( 2794 PWs) bands (ev): -30.3081 -30.3080 -11.3196 -11.3179 -9.9246 -9.9203 -9.8537 -9.8531 0.9562 0.9819 3.7749 3.7778 4.8890 4.9934 6.8503 6.9934 7.2766 7.5172 7.6329 7.8788 8.5318 8.6859 9.0893 9.1207 9.5795 9.7763 10.5645 10.6015 12.4702 12.5848 12.8298 13.0801 13.6351 13.6710 14.2393 14.2551 14.2677 14.5210 14.6997 14.8301 k = 0.3946 0.4768 0.2036 ( 2792 PWs) bands (ev): -30.3079 -30.3079 -11.3203 -11.3186 -9.9252 -9.9208 -9.8551 -9.8544 0.9910 1.0183 3.7753 3.7793 4.8571 4.9671 6.8506 6.9769 7.2996 7.5302 7.6513 7.9057 8.4829 8.6390 9.0378 9.0875 9.5847 9.7737 10.5409 10.5807 12.3908 12.5438 12.9259 13.1309 13.6881 13.7217 14.1623 14.2742 14.3025 14.4494 14.7220 14.8078 k = 0.3880 0.4876 0.2163 ( 2792 PWs) bands (ev): -30.3078 -30.3078 -11.3210 -11.3193 -9.9259 -9.9214 -9.8564 -9.8556 1.0279 1.0568 3.7681 3.7728 4.8324 4.9471 6.8522 6.9621 7.3235 7.5439 7.6703 7.9330 8.4364 8.5917 8.9867 9.0580 9.5914 9.7720 10.5157 10.5578 12.3024 12.4787 13.0146 13.1841 13.7404 13.7717 14.0912 14.2657 14.3489 14.4046 14.7369 14.7735 k = 0.3814 0.4985 0.2290 ( 2792 PWs) bands (ev): -30.3077 -30.3076 -11.3217 -11.3200 -9.9266 -9.9220 -9.8576 -9.8568 1.0670 1.0974 3.7519 3.7565 4.8167 4.9352 6.8547 6.9487 7.3482 7.5582 7.6896 7.9604 8.3922 8.5443 8.9363 9.0322 9.5995 9.7712 10.4891 10.5332 12.2066 12.3961 13.0903 13.2296 13.7899 13.8195 14.0365 14.2175 14.4025 14.4075 14.7289 14.7352 k = 0.3748 0.5094 0.2417 ( 2790 PWs) bands (ev): -30.3075 -30.3075 -11.3224 -11.3207 -9.9274 -9.9228 -9.8588 -9.8578 1.1082 1.1400 3.7258 3.7296 4.8114 4.9326 6.8580 6.9366 7.3737 7.5728 7.7092 7.9881 8.3503 8.4971 8.8871 9.0101 9.6091 9.7716 10.4616 10.5073 12.1045 12.3005 13.1469 13.2589 13.8341 13.8630 14.0047 14.1645 14.4263 14.4629 14.6845 14.7065 k = 0.3682 0.5203 0.2545 ( 2790 PWs) bands (ev): -30.3074 -30.3073 -11.3231 -11.3214 -9.9283 -9.9236 -9.8598 -9.8589 1.1514 1.1846 3.6895 3.6917 4.8172 4.9400 6.8618 6.9254 7.3998 7.5875 7.7289 8.0157 8.3109 8.4504 8.8397 8.9919 9.6203 9.7733 10.4334 10.4804 11.9971 12.1954 13.1780 13.2657 13.8714 13.8984 13.9999 14.1299 14.4344 14.5293 14.6529 14.6587 k = 0.3617 0.5312 0.2672 ( 2794 PWs) bands (ev): -30.3073 -30.3072 -11.3238 -11.3222 -9.9292 -9.9246 -9.8608 -9.8598 1.1966 1.2311 3.6433 3.6433 4.8337 4.9573 6.8659 6.9149 7.4266 7.6023 7.7483 8.0431 8.2737 8.4047 8.7946 8.9775 9.6331 9.7766 10.4048 10.4526 11.8856 12.0834 13.1794 13.2480 13.9068 13.9205 14.0147 14.1228 14.4201 14.5812 14.6077 14.6673 k = 0.3551 0.5421 0.2799 ( 2796 PWs) bands (ev): -30.3071 -30.3071 -11.3245 -11.3229 -9.9301 -9.9256 -9.8616 -9.8606 1.2437 1.2794 3.5855 3.5881 4.8604 4.9842 6.8700 6.9048 7.4538 7.6168 7.7673 8.0699 8.2387 8.3603 8.7526 8.9669 9.6477 9.7816 10.3758 10.4241 11.7710 11.9669 13.1516 13.2088 13.9233 13.9481 14.0328 14.1432 14.3965 14.5218 14.6801 14.7041 k = 0.3485 0.5530 0.2926 ( 2792 PWs) bands (ev): -30.3070 -30.3069 -11.3251 -11.3236 -9.9310 -9.9267 -9.8623 -9.8614 1.2925 1.3295 3.5196 3.5249 4.8959 5.0196 6.8739 6.8949 7.4814 7.6309 7.7854 8.0959 8.2056 8.3181 8.7144 8.9601 9.6642 9.7884 10.3465 10.3948 11.6547 11.8480 13.0998 13.1536 13.9022 13.9974 14.0382 14.1851 14.3829 14.4728 14.7560 14.7597 k = 0.3419 0.5638 0.3054 ( 2794 PWs) bands (ev): -30.3069 -30.3068 -11.3257 -11.3244 -9.9320 -9.9278 -9.8630 -9.8620 1.3431 1.3812 3.4472 3.4551 4.9391 5.0627 6.8773 6.8850 7.5091 7.6444 7.8021 8.1205 8.1745 8.2787 8.6809 8.9571 9.6825 9.7972 10.3167 10.3644 11.5381 11.7285 13.0308 13.0875 13.8566 14.0135 14.0590 14.2416 14.3873 14.4482 14.8153 14.8414 k = 0.3353 0.5747 0.3181 ( 2798 PWs) bands (ev): -30.3067 -30.3067 -11.3263 -11.3251 -9.9329 -9.9290 -9.8635 -9.8626 1.3952 1.4343 3.3699 3.3801 4.9888 5.1122 6.8750 6.8800 7.5366 7.6570 7.8165 8.1385 8.1496 8.2432 8.6530 8.9577 9.7029 9.8081 10.2863 10.3324 11.4229 11.6104 12.9505 13.0144 13.7914 13.9659 14.1212 14.3069 14.4079 14.4497 14.8784 14.9234 k = 0.3287 0.5856 0.3308 ( 2806 PWs) bands (ev): -30.3066 -30.3066 -11.3269 -11.3258 -9.9338 -9.9301 -9.8639 -9.8631 1.4486 1.4885 3.2888 3.3010 5.0439 5.1671 6.8648 6.8818 7.5636 7.6686 7.8278 8.1142 8.1661 8.2129 8.6313 8.9620 9.7254 9.8210 10.2548 10.2982 11.3106 11.4952 12.8632 12.9366 13.7133 13.8968 14.1882 14.3755 14.4408 14.4699 14.9425 15.0036 k = 0.3221 0.5965 0.3435 ( 2810 PWs) bands (ev): -30.3065 -30.3065 -11.3274 -11.3264 -9.9347 -9.9313 -9.8642 -9.8635 1.5030 1.5437 3.2055 3.2192 5.1033 5.2266 6.8545 6.8826 7.5893 7.6790 7.8351 8.0862 8.1850 8.1892 8.6166 8.9697 9.7501 9.8360 10.2217 10.2609 11.2031 11.3848 12.7719 12.8561 13.6273 13.8155 14.2576 14.4380 14.4881 14.5004 15.0057 15.0785 k = 0.3155 0.6074 0.3563 ( 2806 PWs) bands (ev): -30.3064 -30.3064 -11.3278 -11.3270 -9.9355 -9.9325 -9.8645 -9.8639 1.5582 1.5994 3.1210 3.1358 5.1662 5.2895 6.8441 6.8823 7.6128 7.6879 7.8382 8.0585 8.1736 8.2020 8.6089 8.9809 9.7769 9.8530 10.1865 10.2193 11.1027 11.2809 12.6784 12.7738 13.5368 13.7277 14.3279 14.4857 14.5362 14.5535 15.0659 15.1432 k = 0.3090 0.6183 0.3690 ( 2810 PWs) bands (ev): -30.3063 -30.3063 -11.3282 -11.3276 -9.9363 -9.9336 -9.8647 -9.8642 1.6135 1.6549 3.0367 3.0520 5.2318 5.3550 6.8338 6.8808 7.6325 7.6950 7.8379 8.0315 8.1665 8.2174 8.6077 8.9952 9.8060 9.8716 10.1484 10.1724 11.0113 11.1852 12.5840 12.6906 13.4437 13.6366 14.3975 14.5252 14.5751 14.6272 15.1214 15.1949 k = 0.3024 0.6292 0.3817 ( 2806 PWs) bands (ev): -30.3062 -30.3062 -11.3286 -11.3281 -9.9369 -9.9346 -9.8648 -9.8644 1.6683 1.7095 2.9540 2.9692 5.2992 5.4223 6.8238 6.8782 7.6458 7.6998 7.8372 8.0056 8.1678 8.2317 8.6122 9.0126 9.8374 9.8906 10.1068 10.1203 10.9310 11.0992 12.4896 12.6069 13.3493 13.5440 14.4640 14.5614 14.6170 14.7018 15.1710 15.2363 k = 0.2958 0.6400 0.3944 ( 2802 PWs) bands (ev): -30.3061 -30.3061 -11.3289 -11.3286 -9.9375 -9.9356 -9.8648 -9.8646 1.7215 1.7619 2.8746 2.8889 5.3678 5.4903 6.8144 6.8746 7.6499 7.7017 7.8399 7.9817 8.1761 8.2455 8.6209 9.0328 9.8710 9.9061 10.0616 10.0661 10.8629 11.0242 12.3957 12.5233 13.2545 13.4509 14.5244 14.5953 14.6637 14.7744 15.2146 15.2713 k = 0.2958 0.6400 0.3944 ( 2802 PWs) bands (ev): -30.3061 -30.3061 -11.3289 -11.3286 -9.9375 -9.9356 -9.8648 -9.8646 1.7215 1.7619 2.8746 2.8889 5.3678 5.4903 6.8144 6.8746 7.6499 7.7017 7.8399 7.9817 8.1761 8.2455 8.6209 9.0328 9.8710 9.9061 10.0616 10.0661 10.8629 11.0242 12.3957 12.5233 13.2545 13.4509 14.5244 14.5953 14.6637 14.7744 15.2146 15.2713 k = 0.2794 0.6358 0.3993 ( 2808 PWs) bands (ev): -30.3061 -30.3061 -11.3290 -11.3288 -9.9376 -9.9359 -9.8649 -9.8647 1.7406 1.7804 2.8456 2.8593 5.3958 5.5178 6.8112 6.8732 7.6487 7.7005 7.8420 7.9736 8.1803 8.2495 8.6267 9.0423 9.8858 9.9100 10.0425 10.0450 10.8413 10.9986 12.3597 12.4898 13.2168 13.4129 14.5399 14.6040 14.6823 14.7978 15.2290 15.2811 k = 0.2629 0.6316 0.4042 ( 2805 PWs) bands (ev): -30.3061 -30.3060 -11.3291 -11.3289 -9.9378 -9.9362 -9.8649 -9.8647 1.7578 1.7967 2.8180 2.8312 5.4263 5.5472 6.8086 6.8721 7.6462 7.6974 7.8440 7.9667 8.1841 8.2515 8.6357 9.0542 9.9031 9.9098 10.0215 10.0249 10.8246 10.9758 12.3242 12.4544 13.1770 13.3712 14.5436 14.6051 14.6998 14.8136 15.2390 15.2814 k = 0.2465 0.6274 0.4092 ( 2805 PWs) bands (ev): -30.3061 -30.3060 -11.3292 -11.3291 -9.9380 -9.9365 -9.8648 -9.8647 1.7731 1.8110 2.7921 2.8047 5.4589 5.5783 6.8063 6.8712 7.6428 7.6927 7.8461 7.9607 8.1873 8.2521 8.6468 9.0679 9.8974 9.9212 10.0000 10.0137 10.8137 10.9565 12.2892 12.4177 13.1355 13.3263 14.5377 14.5998 14.7151 14.8216 15.2409 15.2674 k = 0.2301 0.6232 0.4141 ( 2807 PWs) bands (ev): -30.3060 -30.3060 -11.3292 -11.3292 -9.9381 -9.9368 -9.8648 -9.8648 1.7868 1.8233 2.7676 2.7797 5.4934 5.6106 6.8044 6.8702 7.6388 7.6869 7.8484 7.9553 8.1899 8.2523 8.6591 9.0829 9.8674 9.9332 9.9842 10.0170 10.8089 10.9413 12.2550 12.3801 13.0929 13.2788 14.5253 14.5895 14.7261 14.8219 15.2318 15.2400 k = 0.2136 0.6190 0.4190 ( 2804 PWs) bands (ev): -30.3060 -30.3060 -11.3293 -11.3293 -9.9382 -9.9370 -9.8648 -9.8648 1.7989 1.8339 2.7447 2.7562 5.5293 5.6437 6.8029 6.8692 7.6345 7.6805 7.8510 7.9501 8.1919 8.2525 8.6717 9.0988 9.8238 9.9221 9.9913 10.0311 10.8102 10.9307 12.2217 12.3419 13.0496 13.2291 14.5092 14.5755 14.7312 14.8143 15.2051 15.2126 k = 0.1972 0.6148 0.4239 ( 2808 PWs) bands (ev): -30.3060 -30.3060 -11.3294 -11.3294 -9.9383 -9.9373 -9.8648 -9.8648 1.8096 1.8428 2.7234 2.7342 5.5661 5.6771 6.8015 6.8679 7.6303 7.6738 7.8540 7.9451 8.1934 8.2533 8.6842 9.1148 9.7722 9.8947 10.0140 10.0512 10.8170 10.9248 12.1892 12.3036 13.0060 13.1778 14.4912 14.5590 14.7294 14.7993 15.1685 15.1875 k = 0.1808 0.6106 0.4288 ( 2810 PWs) bands (ev): -30.3060 -30.3060 -11.3295 -11.3294 -9.9384 -9.9375 -9.8648 -9.8647 1.8190 1.8502 2.7037 2.7138 5.6034 5.7102 6.8005 6.8662 7.6262 7.6672 7.8572 7.9401 8.1948 8.2550 8.6961 9.1301 9.7163 9.8622 10.0413 10.0748 10.8288 10.9235 12.1578 12.2654 12.9627 13.1256 14.4727 14.5410 14.7200 14.7773 15.1349 15.1613 k = 0.1643 0.6064 0.4337 ( 2810 PWs) bands (ev): -30.3060 -30.3059 -11.3295 -11.3295 -9.9385 -9.9377 -9.8647 -9.8647 1.8272 1.8563 2.6857 2.6951 5.6407 5.7424 6.7998 6.8641 7.6226 7.6608 7.8608 7.9351 8.1964 8.2574 8.7074 9.1437 9.6588 9.8273 10.0702 10.1002 10.8446 10.9265 12.1275 12.2275 12.9204 13.0732 14.4546 14.5223 14.7035 14.7496 15.1066 15.1370 k = 0.1479 0.6022 0.4386 ( 2805 PWs) bands (ev): -30.3059 -30.3059 -11.3296 -11.3295 -9.9385 -9.9378 -9.8647 -9.8647 1.8344 1.8611 2.6693 2.6779 5.6775 5.7732 6.7994 6.8616 7.6196 7.6547 7.8646 7.9303 8.1984 8.2607 8.7183 9.1540 9.6028 9.7913 10.0998 10.1266 10.8638 10.9333 12.0985 12.1904 12.8796 13.0213 14.4374 14.5034 14.6815 14.7182 15.0844 15.1159 k = 0.1315 0.5980 0.4435 ( 2803 PWs) bands (ev): -30.3059 -30.3059 -11.3296 -11.3296 -9.9386 -9.9380 -9.8647 -9.8646 1.8407 1.8649 2.6546 2.6624 5.7131 5.8020 6.7994 6.8585 7.6171 7.6491 7.8686 7.9255 8.2011 8.2645 8.7291 9.1588 9.5513 9.7550 10.1291 10.1529 10.8851 10.9432 12.0711 12.1543 12.8413 12.9707 14.4214 14.4845 14.6561 14.6850 15.0680 15.0984 k = 0.1150 0.5938 0.4485 ( 2801 PWs) bands (ev): -30.3059 -30.3059 -11.3297 -11.3296 -9.9386 -9.9381 -9.8647 -9.8646 1.8462 1.8677 2.6416 2.6486 5.7471 5.8281 6.7999 6.8549 7.6153 7.6440 7.8726 7.9209 8.2048 8.2684 8.7405 9.1554 9.5083 9.7190 10.1575 10.1783 10.9077 10.9554 12.0456 12.1196 12.8060 12.9221 14.4070 14.4660 14.6296 14.6521 15.0562 15.0840 k = 0.0986 0.5896 0.4534 ( 2805 PWs) bands (ev): -30.3059 -30.3059 -11.3297 -11.3296 -9.9386 -9.9382 -9.8646 -9.8646 1.8510 1.8697 2.6304 2.6364 5.7789 5.8510 6.8009 6.8507 7.6141 7.6393 7.8765 7.9166 8.2096 8.2718 8.7533 9.1410 9.4774 9.6839 10.1841 10.2022 10.9306 10.9688 12.0224 12.0869 12.7746 12.8763 14.3944 14.4480 14.6042 14.6215 15.0480 15.0722 k = 0.0822 0.5854 0.4583 ( 2805 PWs) bands (ev): -30.3059 -30.3059 -11.3297 -11.3297 -9.9387 -9.9383 -9.8646 -9.8646 1.8552 1.8709 2.6209 2.6260 5.8081 5.8701 6.8026 6.8461 7.6136 7.6350 7.8803 7.9125 8.2157 8.2742 8.7686 9.1146 9.4604 9.6501 10.2085 10.2237 10.9527 10.9824 12.0022 12.0566 12.7478 12.8343 14.3837 14.4307 14.5814 14.5944 15.0424 15.0626 k = 0.0657 0.5812 0.4632 ( 2801 PWs) bands (ev): -30.3059 -30.3059 -11.3298 -11.3297 -9.9387 -9.9384 -9.8646 -9.8645 1.8588 1.8715 2.6132 2.6174 5.8341 5.8851 6.8049 6.8412 7.6138 7.6312 7.8839 7.9088 8.2229 8.2749 8.7872 9.0784 9.4561 9.6181 10.2298 10.2421 10.9729 10.9952 11.9855 12.0295 12.7264 12.7969 14.3752 14.4145 14.5622 14.5717 15.0387 15.0549 k = 0.0493 0.5770 0.4681 ( 2802 PWs) bands (ev): -30.3059 -30.3059 -11.3298 -11.3297 -9.9387 -9.9385 -9.8645 -9.8645 1.8619 1.8716 2.6074 2.6105 5.8564 5.8956 6.8078 6.8359 7.6145 7.6277 7.8873 7.9053 8.2311 8.2736 8.8100 9.0363 9.4614 9.5879 10.2474 10.2568 10.9903 11.0061 11.9728 12.0062 12.7111 12.7647 14.3693 14.3997 14.5472 14.5539 15.0367 15.0486 k = 0.0329 0.5728 0.4730 ( 2804 PWs) bands (ev): -30.3059 -30.3059 -11.3298 -11.3297 -9.9387 -9.9385 -9.8645 -9.8645 1.8646 1.8711 2.6033 2.6054 5.8746 5.9012 6.8114 6.8306 7.6157 7.6246 7.8904 7.9021 8.2400 8.2701 8.8376 8.9920 9.4735 9.5599 10.2609 10.2672 11.0041 11.0142 11.9650 11.9874 12.7024 12.7385 14.3663 14.3871 14.5368 14.5410 15.0358 15.0438 k = 0.0164 0.5686 0.4779 ( 2801 PWs) bands (ev): -30.3059 -30.3059 -11.3298 -11.3297 -9.9386 -9.9386 -9.8645 -9.8645 1.8668 1.8701 2.6011 2.6021 5.8885 5.9019 6.8156 6.8254 7.6173 7.6218 7.8934 7.8991 8.2489 8.2646 8.8701 8.9484 9.4904 9.5341 10.2698 10.2730 11.0135 11.0184 11.9623 11.9736 12.7007 12.7189 14.3666 14.3771 14.5310 14.5330 15.0362 15.0401 k = 0.0000 0.5644 0.4828 ( 2804 PWs) bands (ev): -30.3059 -30.3059 -11.3298 -11.3298 -9.9386 -9.9386 -9.8645 -9.8645 1.8687 1.8687 2.6007 2.6007 5.8976 5.8976 6.8203 6.8203 7.6194 7.6194 7.8962 7.8962 8.2573 8.2573 8.9073 8.9073 9.5108 9.5108 10.2739 10.2739 11.0183 11.0183 11.9651 11.9651 12.7062 12.7062 14.3702 14.3702 14.5297 14.5297 15.0376 15.0376 k = 0.0000 0.5644 0.4828 ( 2804 PWs) bands (ev): -30.3059 -30.3059 -11.3298 -11.3298 -9.9386 -9.9386 -9.8645 -9.8645 1.8687 1.8687 2.6007 2.6007 5.8976 5.8976 6.8203 6.8203 7.6194 7.6194 7.8962 7.8962 8.2573 8.2573 8.9073 8.9073 9.5108 9.5108 10.2739 10.2739 11.0183 11.0183 11.9651 11.9651 12.7062 12.7062 14.3702 14.3702 14.5297 14.5297 15.0376 15.0376 k = 0.0066 0.5535 0.4956 ( 2802 PWs) bands (ev): -30.3059 -30.3059 -11.3299 -11.3296 -9.9386 -9.9386 -9.8648 -9.8644 1.8697 1.8699 2.6007 2.6033 5.8926 5.8992 6.8183 6.8245 7.6061 7.6279 7.8825 7.9050 8.2459 8.2674 8.8908 8.9237 9.5080 9.5153 10.2617 10.2757 11.0115 11.0362 11.9557 11.9708 12.6971 12.7205 14.3305 14.4134 14.5004 14.5648 15.0322 15.0450 k = 0.0132 0.5426 0.5083 ( 2804 PWs) bands (ev): -30.3059 -30.3059 -11.3301 -11.3296 -9.9386 -9.9384 -9.8653 -9.8645 1.8731 1.8735 2.6035 2.6086 5.8839 5.8972 6.8184 6.8310 7.5883 7.6312 7.8645 7.9085 8.2332 8.2765 8.8748 8.9395 9.5069 9.5211 10.2401 10.2677 11.0139 11.0644 11.9433 11.9731 12.6939 12.7394 14.2956 14.4472 14.4898 14.6045 15.0288 15.0542 k = 0.0197 0.5318 0.5210 ( 2804 PWs) bands (ev): -30.3058 -30.3058 -11.3304 -11.3295 -9.9385 -9.9383 -9.8661 -9.8648 1.8787 1.8794 2.6088 2.6165 5.8718 5.8915 6.8206 6.8398 7.5661 7.6280 7.8434 7.9068 8.2192 8.2853 8.8599 8.9544 9.5074 9.5278 10.2111 10.2516 11.0220 11.0999 11.9292 11.9738 12.6965 12.7619 14.2660 14.4381 14.5313 14.6485 15.0276 15.0652 k = 0.0263 0.5209 0.5337 ( 2808 PWs) bands (ev): -30.3058 -30.3058 -11.3307 -11.3296 -9.9383 -9.9381 -9.8670 -9.8653 1.8866 1.8875 2.6169 2.6271 5.8560 5.8820 6.8247 6.8507 7.5392 7.6171 7.8207 7.9007 8.2046 8.2942 8.8463 8.9682 9.5094 9.5348 10.1771 10.2298 11.0308 11.1385 11.9153 11.9755 12.7048 12.7870 14.2418 14.4211 14.5899 14.6966 15.0287 15.0778 k = 0.0329 0.5100 0.5464 ( 2806 PWs) bands (ev): -30.3057 -30.3057 -11.3310 -11.3297 -9.9381 -9.9378 -9.8681 -9.8660 1.8969 1.8980 2.6275 2.6403 5.8364 5.8686 6.8306 6.8639 7.5075 7.5968 7.7981 7.8915 8.1901 8.3036 8.8344 8.9808 9.5125 9.5414 10.1404 10.2046 11.0359 11.1748 11.9037 11.9810 12.7187 12.8142 14.2234 14.4069 14.6548 14.7486 15.0323 15.0921 k = 0.0395 0.4992 0.5591 ( 2808 PWs) bands (ev): -30.3057 -30.3057 -11.3314 -11.3298 -9.9378 -9.9375 -9.8693 -9.8669 1.9094 1.9107 2.6408 2.6561 5.8130 5.8510 6.8381 6.8792 7.4711 7.5662 7.7765 7.8807 8.1764 8.3138 8.8243 8.9923 9.5165 9.5469 10.1027 10.1777 11.0332 11.2035 11.8967 11.9919 12.7386 12.8434 14.2109 14.3968 14.7244 14.8043 15.0384 15.1080 k = 0.0461 0.4883 0.5718 ( 2812 PWs) bands (ev): -30.3056 -30.3056 -11.3318 -11.3299 -9.9375 -9.9371 -9.8708 -9.8680 1.9242 1.9258 2.6566 2.6745 5.7856 5.8292 6.8465 6.8964 7.4306 7.5255 7.7563 7.8698 8.1642 8.3249 8.8157 9.0029 9.5209 9.5506 10.0653 10.1507 11.0208 11.2200 11.8958 12.0078 12.7653 12.8751 14.2049 14.3913 14.7980 14.8632 15.0476 15.1253 k = 0.0526 0.4774 0.5845 ( 2812 PWs) bands (ev): -30.3055 -30.3055 -11.3323 -11.3302 -9.9371 -9.9367 -9.8724 -9.8692 1.9413 1.9432 2.6749 2.6954 5.7541 5.8028 6.8554 6.9154 7.3869 7.4758 7.7371 7.8598 8.1543 8.3368 8.8087 9.0126 9.5257 9.5519 10.0293 10.1244 10.9980 11.2213 11.9006 12.0265 12.8006 12.9102 14.2055 14.3907 14.8749 14.9245 15.0603 15.1441 k = 0.0592 0.4666 0.5972 ( 2812 PWs) bands (ev): -30.3055 -30.3055 -11.3327 -11.3304 -9.9367 -9.9362 -9.8741 -9.8706 1.9606 1.9628 2.6958 2.7187 5.7184 5.7717 6.8633 6.9358 7.3417 7.4191 7.7188 7.8512 8.1469 8.3494 8.8030 9.0217 9.5304 9.5503 9.9951 10.0996 10.9657 11.2073 11.9083 12.0442 12.8462 12.9502 14.2133 14.3954 14.9534 14.9869 15.0779 15.1644 k = 0.0658 0.4557 0.6099 ( 2808 PWs) bands (ev): -30.3054 -30.3054 -11.3332 -11.3307 -9.9363 -9.9357 -9.8760 -9.8722 1.9822 1.9847 2.7190 2.7445 5.6784 5.7358 6.8684 6.9569 7.2975 7.3575 7.7014 7.8441 8.1425 8.3628 8.7983 9.0301 9.5349 9.5454 9.9632 10.0768 10.9252 11.1799 11.9139 12.0571 12.9035 12.9967 14.2286 14.4057 15.0267 15.0508 15.1049 15.1864 k = 0.0724 0.4448 0.6226 ( 2806 PWs) bands (ev): -30.3053 -30.3053 -11.3338 -11.3311 -9.9358 -9.9352 -9.8780 -9.8739 2.0061 2.0089 2.7447 2.7726 5.6340 5.6950 6.8676 6.9780 7.2550 7.2960 7.6849 7.8384 8.1410 8.3769 8.7945 9.0381 9.5373 9.5391 9.9336 10.0561 10.8782 11.1418 11.9127 12.0619 12.9728 13.0510 14.2519 14.4220 15.0749 15.1255 15.1478 15.2114 k = 0.0789 0.4339 0.6353 ( 2804 PWs) bands (ev): -30.3051 -30.3051 -11.3343 -11.3315 -9.9353 -9.9346 -9.8801 -9.8758 2.0322 2.0353 2.7727 2.8031 5.5852 5.6492 6.8567 6.9981 7.2037 7.2522 7.6697 7.8342 8.1424 8.3914 8.7913 9.0457 9.5259 9.5428 9.9062 10.0378 10.8264 11.0957 11.9013 12.0565 13.0529 13.1138 14.2835 14.4448 15.1061 15.1931 15.2081 15.2441 k = 0.0855 0.4231 0.6480 ( 2804 PWs) bands (ev): -30.3050 -30.3050 -11.3349 -11.3319 -9.9347 -9.9340 -9.8823 -9.8778 2.0605 2.0640 2.8029 2.8357 5.5320 5.5985 6.8323 7.0141 7.1407 7.2366 7.6560 7.8317 8.1465 8.4065 8.7887 9.0528 9.5116 9.5458 9.8811 10.0217 10.7711 11.0440 11.8780 12.0396 13.1416 13.1846 14.3241 14.4743 15.1336 15.2305 15.2780 15.2952 k = 0.0921 0.4122 0.6607 ( 2804 PWs) bands (ev): -30.3049 -30.3049 -11.3355 -11.3324 -9.9341 -9.9334 -9.8846 -9.8799 2.0911 2.0949 2.8353 2.8705 5.4746 5.5429 6.7941 7.0099 7.0926 7.2400 7.6440 7.8311 8.1533 8.4220 8.7866 9.0594 9.4947 9.5482 9.8581 10.0077 10.7135 10.9886 11.8431 12.0109 13.2352 13.2627 14.3740 14.5111 15.1614 15.2560 15.3296 15.3602 k = 0.0987 0.4013 0.6734 ( 2806 PWs) bands (ev): -30.3048 -30.3048 -11.3361 -11.3329 -9.9335 -9.9327 -9.8869 -9.8820 2.1238 2.1281 2.8697 2.9073 5.4132 5.4827 6.7445 6.9580 7.0909 7.2568 7.6342 7.8328 8.1624 8.4379 8.7847 9.0656 9.4757 9.5497 9.8369 9.9955 10.6545 10.9306 11.7975 11.9708 13.3271 13.3491 14.4335 14.5553 15.1904 15.2757 15.3674 15.4111 k = 0.1053 0.3905 0.6862 ( 2806 PWs) bands (ev): -30.3047 -30.3047 -11.3367 -11.3334 -9.9329 -9.9321 -9.8893 -9.8843 2.1587 2.1635 2.9061 2.9461 5.3478 5.4181 6.6870 6.8858 7.1090 7.2823 7.6271 7.8370 8.1736 8.4542 8.7832 9.0712 9.4552 9.5503 9.8176 9.9850 10.5951 10.8712 11.7426 11.9201 13.4121 13.4435 14.5028 14.6073 15.2207 15.2902 15.3896 15.4363 k = 0.1118 0.3796 0.6989 ( 2802 PWs) bands (ev): -30.3045 -30.3045 -11.3373 -11.3339 -9.9323 -9.9314 -9.8917 -9.8866 2.1958 2.2010 2.9444 2.9867 5.2789 5.3493 6.6245 6.8093 7.1317 7.3129 7.6235 7.8442 8.1869 8.4708 8.7818 9.0762 9.4336 9.5498 9.8002 9.9759 10.5357 10.8112 11.6798 11.8599 13.4922 13.5387 14.5813 14.6667 15.2515 15.2990 15.3942 15.4490 k = 0.1184 0.3687 0.7116 ( 2802 PWs) bands (ev): -30.3044 -30.3044 -11.3379 -11.3345 -9.9316 -9.9307 -9.8941 -9.8889 2.2351 2.2407 2.9844 3.0289 5.2066 5.2768 6.5588 6.7315 7.1557 7.3455 7.6245 7.8546 8.2019 8.4876 8.7807 9.0802 9.4115 9.5481 9.7847 9.9679 10.4771 10.7511 11.6104 11.7914 13.5676 13.6300 14.6680 14.7326 15.2796 15.3048 15.3863 15.4664 k = 0.1250 0.3578 0.7243 ( 2800 PWs) bands (ev): -30.3043 -30.3043 -11.3385 -11.3351 -9.9310 -9.9300 -9.8965 -9.8913 2.2765 2.2826 3.0259 3.0726 5.1313 5.2010 6.4913 6.6533 7.1802 7.3772 7.6318 7.8684 8.2186 8.5047 8.7797 9.0832 9.3893 9.5449 9.7712 9.9607 10.4196 10.6914 11.5355 11.7160 13.6376 13.7147 14.7605 14.8031 15.2927 15.3186 15.3814 15.4896 k = 0.1316 0.3470 0.7370 ( 2798 PWs) bands (ev): -30.3041 -30.3041 -11.3391 -11.3357 -9.9303 -9.9293 -9.8989 -9.8937 2.3200 2.3266 3.0688 3.1178 5.0534 5.1222 6.4230 6.5754 7.2043 7.4051 7.6476 7.8859 8.2367 8.5219 8.7789 9.0848 9.3675 9.5402 9.7600 9.9544 10.3638 10.6325 11.4560 11.6348 13.7014 13.7914 14.8545 14.8753 15.2948 15.3344 15.3947 15.5167 k = 0.1382 0.3361 0.7497 ( 2794 PWs) bands (ev): -30.3040 -30.3040 -11.3397 -11.3364 -9.9297 -9.9286 -9.9012 -9.8961 2.3655 2.3726 3.1130 3.1640 4.9732 5.0408 6.3544 6.4980 7.2278 7.4270 7.6732 7.9071 8.2562 8.5393 8.7783 9.0846 9.3466 9.5339 9.7511 9.9486 10.3099 10.5748 11.3728 11.5488 13.7587 13.8591 14.9361 14.9522 15.3008 15.3508 15.4245 15.5464 k = 0.1447 0.3252 0.7624 ( 2792 PWs) bands (ev): -30.3039 -30.3039 -11.3403 -11.3370 -9.9290 -9.9280 -9.9035 -9.8984 2.4131 2.4207 3.1582 3.2112 4.8911 4.9575 6.2860 6.4214 7.2502 7.4424 7.7088 7.9320 8.2769 8.5567 8.7779 9.0822 9.3272 9.5259 9.7447 9.9434 10.2584 10.5185 11.2866 11.4591 13.8094 13.9175 14.9944 15.0306 15.3213 15.3793 15.4612 15.5777 k = 0.1513 0.3144 0.7751 ( 2794 PWs) bands (ev): -30.3037 -30.3037 -11.3409 -11.3376 -9.9284 -9.9273 -9.9057 -9.9007 2.4627 2.4708 3.2041 3.2591 4.8075 4.8724 6.2182 6.3458 7.2713 7.4523 7.7529 7.9604 8.2987 8.5742 8.7777 9.0769 9.3098 9.5164 9.7406 9.9387 10.2095 10.4638 11.1983 11.3667 13.8535 13.9665 15.0374 15.0914 15.3648 15.4231 15.5005 15.6102 k = 0.1579 0.3035 0.7878 ( 2786 PWs) bands (ev): -30.3036 -30.3036 -11.3414 -11.3382 -9.9278 -9.9267 -9.9078 -9.9030 2.5142 2.5229 3.2506 3.3075 4.7227 4.7862 6.1514 6.2715 7.2911 7.4581 7.8034 7.9921 8.3214 8.5917 8.7779 9.0684 9.2951 9.5054 9.7389 9.9345 10.1636 10.4109 11.1084 11.2725 13.8912 14.0063 15.0684 15.1344 15.4290 15.4790 15.5414 15.6435 k = 0.1645 0.2926 0.8005 ( 2796 PWs) bands (ev): -30.3035 -30.3035 -11.3419 -11.3389 -9.9272 -9.9261 -9.9098 -9.9052 2.5677 2.5768 3.2972 3.3559 4.6372 4.6992 6.0859 6.1986 7.3094 7.4614 7.8583 8.0267 8.3448 8.6090 8.7785 9.0562 9.2833 9.4931 9.7394 9.9308 10.1209 10.3600 11.0177 11.1772 13.9229 14.0372 15.0934 15.1680 15.5021 15.5407 15.5833 15.6771 k = 0.1711 0.2817 0.8132 ( 2788 PWs) bands (ev): -30.3034 -30.3034 -11.3424 -11.3395 -9.9266 -9.9255 -9.9117 -9.9073 2.6229 2.6325 3.3438 3.4041 4.5513 4.6118 6.0222 6.1276 7.3263 7.4630 7.9161 8.0640 8.3688 8.6261 8.7796 9.0404 9.2747 9.4798 9.7421 9.9276 10.0817 10.3112 10.9269 11.0816 13.9489 14.0599 15.1181 15.1997 15.5728 15.6031 15.6268 15.7111 k = 0.1776 0.2709 0.8259 ( 2786 PWs) bands (ev): -30.3033 -30.3033 -11.3428 -11.3401 -9.9261 -9.9249 -9.9135 -9.9093 2.6798 2.6898 3.3897 3.4516 4.4653 4.5244 5.9606 6.0587 7.3419 7.4636 7.9756 8.1034 8.3930 8.6428 8.7813 9.0212 9.2690 9.4656 9.7467 9.9251 10.0461 10.2647 10.8366 10.9866 13.9697 14.0751 15.1463 15.2332 15.6328 15.6615 15.6749 15.7453 k = 0.1842 0.2600 0.8386 ( 2786 PWs) bands (ev): -30.3032 -30.3032 -11.3432 -11.3406 -9.9256 -9.9244 -9.9152 -9.9112 2.7384 2.7487 3.4347 3.4979 4.3797 4.4375 5.9016 5.9924 7.3561 7.4636 8.0354 8.1445 8.4174 8.6588 8.7840 8.9993 9.2658 9.4507 9.7534 9.9231 10.0145 10.2204 10.7477 10.8928 13.9859 14.0839 15.1799 15.2705 15.6810 15.7100 15.7298 15.7798 k = 0.1908 0.2491 0.8513 ( 2786 PWs) bands (ev): -30.3031 -30.3031 -11.3435 -11.3412 -9.9251 -9.9239 -9.9167 -9.9130 2.7984 2.8090 3.4781 3.5425 4.2949 4.3515 5.8458 5.9290 7.3690 7.4630 8.0944 8.1868 8.4415 8.6738 8.7876 8.9755 9.2646 9.4352 9.7621 9.9218 9.9869 10.1785 10.6611 10.8008 13.9982 14.0874 15.2195 15.3120 15.7217 15.7516 15.7823 15.8145 k = 0.1974 0.2383 0.8640 ( 2786 PWs) bands (ev): -30.3030 -30.3030 -11.3438 -11.3417 -9.9247 -9.9235 -9.9180 -9.9146 2.8596 2.8703 3.5194 3.5847 4.2115 4.2669 5.7936 5.8691 7.3809 7.4622 8.1516 8.2298 8.4651 8.6872 8.7926 8.9507 9.2651 9.4191 9.7728 9.9211 9.9639 10.1391 10.5779 10.7115 14.0073 14.0868 15.2650 15.3577 15.7579 15.7872 15.8278 15.8492 k = 0.2039 0.2274 0.8767 ( 2786 PWs) bands (ev): -30.3029 -30.3029 -11.3441 -11.3422 -9.9243 -9.9231 -9.9192 -9.9161 2.9217 2.9324 3.5577 3.6237 4.1300 4.1845 5.7458 5.8132 7.3916 7.4610 8.2057 8.2726 8.4881 8.6981 8.7990 8.9263 9.2667 9.4025 9.7854 9.9209 9.9457 10.1022 10.4992 10.6254 14.0138 14.0831 15.3156 15.4071 15.7907 15.8175 15.8656 15.8831 k = 0.2105 0.2165 0.8895 ( 2786 PWs) bands (ev): -30.3028 -30.3028 -11.3443 -11.3427 -9.9240 -9.9228 -9.9202 -9.9174 2.9842 2.9946 3.5923 3.6583 4.0516 4.1052 5.7031 5.7620 7.4014 7.4595 8.2559 8.3138 8.5103 8.7051 8.8069 8.9038 9.2691 9.3856 9.7998 9.9205 9.9335 10.0679 10.4263 10.5435 14.0186 14.0775 15.3706 15.4593 15.8200 15.8435 15.8966 15.9146 k = 0.2171 0.2057 0.9022 ( 2794 PWs) bands (ev): -30.3028 -30.3028 -11.3445 -11.3431 -9.9237 -9.9225 -9.9210 -9.9186 3.0464 3.0561 3.6220 3.6870 3.9781 4.0303 5.6660 5.7161 7.4101 7.4576 8.3018 8.3518 8.5315 8.7067 8.8161 8.8852 9.2721 9.3684 9.8155 9.9186 9.9288 10.0364 10.3609 10.4666 14.0221 14.0708 15.4286 15.5130 15.8457 15.8657 15.9221 15.9417 k = 0.2237 0.1948 0.9149 ( 2804 PWs) bands (ev): -30.3027 -30.3027 -11.3446 -11.3435 -9.9235 -9.9224 -9.9215 -9.9196 3.1071 3.1156 3.6453 3.7069 3.9128 3.9619 5.6355 5.6762 7.4180 7.4554 8.3429 8.3845 8.5518 8.7014 8.8263 8.8722 9.2756 9.3513 9.8318 9.9182 9.9285 10.0082 10.3047 10.3959 14.0250 14.0636 15.4881 15.5661 15.8678 15.8849 15.9426 15.9637 k = 0.2303 0.1839 0.9276 ( 2798 PWs) bands (ev): -30.3027 -30.3027 -11.3446 -11.3438 -9.9233 -9.9226 -9.9217 -9.9203 3.1641 3.1708 3.6605 3.7124 3.8630 3.9037 5.6121 5.6431 7.4251 7.4528 8.3785 8.4103 8.5712 8.6888 8.8368 8.8653 9.2796 9.3350 9.8476 9.9218 9.9289 9.9848 10.2597 10.3329 14.0279 14.0565 15.5472 15.6153 15.8862 15.9015 15.9581 15.9798 k = 0.2368 0.1730 0.9403 ( 2798 PWs) bands (ev): -30.3027 -30.3027 -11.3446 -11.3440 -9.9233 -9.9228 -9.9216 -9.9209 3.2136 3.2179 3.6662 3.6990 3.8363 3.8602 5.5965 5.6174 7.4314 7.4497 8.4073 8.4282 8.5901 8.6708 8.8465 8.8625 9.2842 9.3201 9.8626 9.9197 9.9349 9.9686 10.2282 10.2800 14.0309 14.0498 15.6022 15.6553 15.9016 15.9161 15.9681 15.9885 k = 0.2434 0.1622 0.9530 ( 2800 PWs) bands (ev): -30.3027 -30.3027 -11.3446 -11.3443 -9.9232 -9.9230 -9.9216 -9.9213 3.2492 3.2509 3.6645 3.6770 3.8281 3.8349 5.5890 5.5996 7.4369 7.4460 8.4275 8.4376 8.6091 8.6500 8.8542 8.8612 9.2899 9.3074 9.8773 9.9078 9.9456 9.9602 10.2132 10.2401 14.0345 14.0439 15.6478 15.6780 15.9146 15.9263 15.9735 15.9881 k = 0.2500 0.1513 0.9657 ( 2804 PWs) bands (ev): -30.3026 -30.3026 -11.3444 -11.3444 -9.9231 -9.9231 -9.9214 -9.9214 3.2628 3.2628 3.6646 3.6646 3.8269 3.8269 5.5900 5.5900 7.4418 7.4418 8.4376 8.4376 8.6290 8.6290 8.8590 8.8590 9.2974 9.2974 9.8926 9.8926 9.9541 9.9541 10.2170 10.2170 14.0387 14.0387 15.6755 15.6755 15.9250 15.9250 15.9806 15.9806 k = 0.2500 0.1513 0.9657 ( 2804 PWs) bands (ev): -30.3026 -30.3026 -11.3444 -11.3444 -9.9231 -9.9231 -9.9214 -9.9214 3.2628 3.2628 3.6646 3.6646 3.8269 3.8269 5.5900 5.5900 7.4418 7.4418 8.4376 8.4376 8.6290 8.6290 8.8590 8.8590 9.2974 9.2974 9.8926 9.8926 9.9541 9.9541 10.2170 10.2170 14.0387 14.0387 15.6755 15.6755 15.9250 15.9250 15.9806 15.9806 k = 0.2632 0.1593 0.9564 ( 2806 PWs) bands (ev): -30.3027 -30.3027 -11.3445 -11.3444 -9.9232 -9.9231 -9.9215 -9.9213 3.2587 3.2597 3.6636 3.6686 3.8278 3.8287 5.5900 5.5955 7.4375 7.4422 8.4333 8.4369 8.6213 8.6394 8.8563 8.8605 9.2937 9.2998 9.8817 9.8956 9.9516 9.9591 10.2168 10.2304 14.0389 14.0439 15.6645 15.6808 15.9198 15.9288 15.9763 15.9848 k = 0.2763 0.1672 0.9471 ( 2802 PWs) bands (ev): -30.3027 -30.3027 -11.3446 -11.3443 -9.9232 -9.9232 -9.9215 -9.9211 3.2477 3.2502 3.6656 3.6749 3.8309 3.8327 5.5954 5.6067 7.4293 7.4388 8.4260 8.4297 8.6197 8.6487 8.8512 8.8609 9.2921 9.2985 9.8682 9.8887 9.9521 9.9648 10.2292 10.2551 14.0439 14.0542 15.6494 15.6805 15.9140 15.9304 15.9743 15.9850 k = 0.2895 0.1752 0.9378 ( 2800 PWs) bands (ev): -30.3027 -30.3027 -11.3446 -11.3442 -9.9233 -9.9232 -9.9215 -9.9209 3.2312 3.2358 3.6700 3.6830 3.8354 3.8379 5.6063 5.6236 7.4175 7.4315 8.4164 8.4167 8.6234 8.6561 8.8432 8.8592 9.2933 9.2942 9.8548 9.8734 9.9572 9.9705 10.2515 10.2889 14.0534 14.0691 15.6334 15.6765 15.9077 15.9252 15.9791 15.9831 k = 0.3026 0.1832 0.9285 ( 2792 PWs) bands (ev): -30.3027 -30.3027 -11.3446 -11.3440 -9.9233 -9.9231 -9.9215 -9.9206 3.2104 3.2176 3.6760 3.6919 3.8408 3.8439 5.6229 5.6462 7.4025 7.4205 8.3998 8.4051 8.6305 8.6603 8.8323 8.8554 9.2878 9.2977 9.8431 9.8534 9.9668 9.9766 10.2803 10.3295 14.0668 14.0880 15.6189 15.6712 15.8991 15.9133 15.9823 15.9900 k = 0.3158 0.1911 0.9192 ( 2791 PWs) bands (ev): -30.3027 -30.3027 -11.3446 -11.3439 -9.9233 -9.9231 -9.9215 -9.9204 3.1866 3.1967 3.6829 3.7012 3.8466 3.8501 5.6449 5.6742 7.3846 7.4059 8.3804 8.3925 8.6387 8.6601 8.8189 8.8496 9.2802 9.3058 9.8321 9.8342 9.9803 9.9836 10.3126 10.3745 14.0835 14.1102 15.6080 15.6671 15.8870 15.8974 15.9834 16.0029 k = 0.3289 0.1991 0.9098 ( 2794 PWs) bands (ev): -30.3027 -30.3027 -11.3446 -11.3438 -9.9233 -9.9231 -9.9214 -9.9201 3.1607 3.1739 3.6901 3.7101 3.8527 3.8564 5.6720 5.7072 7.3643 7.3879 8.3600 8.3791 8.6456 8.6542 8.8041 8.8427 9.2721 9.3176 9.8119 9.8287 9.9919 9.9972 10.3464 10.4222 14.1027 14.1349 15.6022 15.6664 15.8718 15.8791 15.9850 16.0153 k = 0.3421 0.2070 0.9005 ( 2793 PWs) bands (ev): -30.3027 -30.3027 -11.3446 -11.3436 -9.9232 -9.9230 -9.9213 -9.9199 3.1332 3.1497 3.6972 3.7184 3.8590 3.8628 5.7039 5.7450 7.3420 7.3670 8.3393 8.3650 8.6421 8.6485 8.7899 8.8355 9.2645 9.3326 9.7946 9.8270 10.0014 10.0169 10.3803 10.4712 14.1237 14.1611 15.6029 15.6706 15.8539 15.8590 15.9854 16.0257 k = 0.3553 0.2150 0.8912 ( 2799 PWs) bands (ev): -30.3027 -30.3027 -11.3445 -11.3435 -9.9231 -9.9230 -9.9212 -9.9196 3.1047 3.1245 3.7039 3.7260 3.8654 3.8690 5.7400 5.7869 7.3182 7.3435 8.3188 8.3502 8.6242 8.6447 8.7786 8.8283 9.2582 9.3502 9.7813 9.8289 10.0124 10.0391 10.4134 10.5206 14.1456 14.1878 15.6107 15.6809 15.8337 15.8376 15.9830 16.0330 k = 0.3684 0.2230 0.8819 ( 2802 PWs) bands (ev): -30.3028 -30.3028 -11.3445 -11.3433 -9.9230 -9.9230 -9.9210 -9.9194 3.0755 3.0986 3.7103 3.7327 3.8721 3.8753 5.7798 5.8323 7.2933 7.3178 8.2989 8.3347 8.6016 8.6326 8.7715 8.8208 9.2538 9.3698 9.7728 9.8341 10.0250 10.0633 10.4449 10.5696 14.1674 14.2140 15.6260 15.6979 15.8118 15.8154 15.9771 16.0363 k = 0.3816 0.2309 0.8726 ( 2806 PWs) bands (ev): -30.3028 -30.3028 -11.3444 -11.3431 -9.9230 -9.9229 -9.9208 -9.9191 3.0456 3.0720 3.7163 3.7387 3.8791 3.8817 5.8226 5.8806 7.2679 7.2906 8.2797 8.3181 8.5762 8.6128 8.7682 8.8126 9.2521 9.3905 9.7700 9.8421 10.0393 10.0892 10.4743 10.6175 14.1884 14.2387 15.6478 15.7206 15.7897 15.7940 15.9672 16.0351 k = 0.3947 0.2389 0.8633 ( 2805 PWs) bands (ev): -30.3028 -30.3028 -11.3443 -11.3429 -9.9230 -9.9228 -9.9205 -9.9188 3.0152 3.0447 3.7220 3.7441 3.8863 3.8882 5.8677 5.9310 7.2425 7.2624 8.2613 8.3000 8.5498 8.5874 8.7667 8.8031 9.2536 9.4113 9.7733 9.8522 10.0555 10.1165 10.5015 10.6639 14.2075 14.2608 15.6710 15.7367 15.7786 15.7792 15.9535 16.0293 k = 0.4079 0.2469 0.8540 ( 2804 PWs) bands (ev): -30.3029 -30.3029 -11.3442 -11.3427 -9.9230 -9.9226 -9.9202 -9.9185 2.9843 3.0168 3.7276 3.7491 3.8939 3.8949 5.9144 5.9827 7.2178 7.2341 8.2436 8.2801 8.5242 8.5586 8.7653 8.7919 9.2583 9.4317 9.7827 9.8639 10.0739 10.1449 10.5263 10.7086 14.2238 14.2794 15.6796 15.7197 15.7845 15.8053 15.9379 16.0192 k = 0.4211 0.2548 0.8447 ( 2804 PWs) bands (ev): -30.3029 -30.3029 -11.3441 -11.3425 -9.9231 -9.9224 -9.9198 -9.9182 2.9527 2.9881 3.7333 3.7542 3.9018 3.9018 5.9617 6.0349 7.1943 7.2063 8.2267 8.2578 8.5009 8.5278 8.7630 8.7789 9.2664 9.4511 9.7983 9.8764 10.0946 10.1741 10.5487 10.7512 14.2364 14.2936 15.6638 15.6901 15.8204 15.8392 15.9283 16.0058 k = 0.4342 0.2628 0.8354 ( 2804 PWs) bands (ev): -30.3029 -30.3029 -11.3440 -11.3423 -9.9231 -9.9222 -9.9194 -9.9179 2.9206 2.9586 3.7395 3.7596 3.9088 3.9100 6.0089 6.0866 7.1729 7.1801 8.2103 8.2331 8.4808 8.4960 8.7598 8.7644 9.2774 9.4691 9.8195 9.8893 10.1179 10.2038 10.5691 10.7918 14.2446 14.3028 15.6352 15.6565 15.8481 15.8703 15.9490 15.9933 k = 0.4474 0.2707 0.8261 ( 2800 PWs) bands (ev): -30.3030 -30.3030 -11.3438 -11.3420 -9.9232 -9.9220 -9.9190 -9.9176 2.8876 2.9280 3.7463 3.7657 3.9160 3.9184 6.0550 6.1370 7.1542 7.1562 8.1942 8.2061 8.4639 8.4641 8.7487 8.7559 9.2907 9.4855 9.8457 9.9024 10.1437 10.2336 10.5880 10.8305 14.2475 14.3063 15.6008 15.6203 15.8299 15.9086 15.9994 15.9999 k = 0.4605 0.2787 0.8168 ( 2806 PWs) bands (ev): -30.3030 -30.3030 -11.3437 -11.3418 -9.9232 -9.9218 -9.9185 -9.9172 2.8538 2.8963 3.7540 3.7730 3.9234 3.9269 6.0991 6.1851 7.1358 7.1390 8.1774 8.1782 8.4318 8.4506 8.7324 8.7517 9.3056 9.5003 9.8758 9.9155 10.1718 10.2629 10.6061 10.8673 14.2446 14.3036 15.5630 15.5818 15.8038 15.9077 16.0478 16.0595 k = 0.4737 0.2867 0.8075 ( 2804 PWs) bands (ev): -30.3031 -30.3031 -11.3435 -11.3415 -9.9233 -9.9216 -9.9179 -9.9168 2.8190 2.8632 3.7630 3.7816 3.9309 3.9355 6.1403 6.2298 7.1197 7.1282 8.1477 8.1621 8.4001 8.4395 8.7163 8.7479 9.3213 9.5136 9.9088 9.9287 10.2022 10.2912 10.6247 10.9026 14.2352 14.2945 15.5226 15.5416 15.7766 15.8889 16.1127 16.1171 k = 0.4868 0.2946 0.7982 ( 2804 PWs) bands (ev): -30.3031 -30.3031 -11.3434 -11.3412 -9.9234 -9.9214 -9.9174 -9.9164 2.7831 2.8288 3.7734 3.7919 3.9385 3.9441 6.1777 6.2704 7.1089 7.1225 8.1179 8.1456 8.3688 8.4298 8.7014 8.7452 9.3371 9.5254 9.9420 9.9437 10.2343 10.3175 10.6451 10.9366 14.2191 14.2787 15.4802 15.4998 15.7513 15.8670 16.1632 16.1720 k = 0.5000 0.3026 0.7888 ( 2800 PWs) bands (ev): -30.3032 -30.3032 -11.3432 -11.3409 -9.9235 -9.9212 -9.9168 -9.9160 2.7459 2.7928 3.7854 3.8041 3.9463 3.9527 6.2105 6.3060 7.1041 7.1222 8.0885 8.1286 8.3383 8.4205 8.6888 8.7441 9.3524 9.5358 9.9556 9.9794 10.2677 10.3409 10.6689 10.9699 14.1962 14.2566 15.4362 15.4567 15.7296 15.8462 16.1889 16.2113 k = 0.5000 0.3026 0.7888 ( 2800 PWs) bands (ev): -30.3032 -30.3032 -11.3432 -11.3409 -9.9235 -9.9212 -9.9168 -9.9160 2.7459 2.7928 3.7854 3.8041 3.9463 3.9527 6.2105 6.3060 7.1041 7.1222 8.0885 8.1286 8.3383 8.4205 8.6888 8.7441 9.3524 9.5358 9.9556 9.9794 10.2677 10.3409 10.6689 10.9699 14.1962 14.2566 15.4362 15.4567 15.7296 15.8462 16.1889 16.2113 k = 0.5000 0.3026 0.7709 ( 2804 PWs) bands (ev): -30.3033 -30.3033 -11.3428 -11.3403 -9.9236 -9.9208 -9.9155 -9.9150 2.6722 2.7208 3.8105 3.8298 3.9621 3.9703 6.2686 6.3685 7.1015 7.1283 8.0334 8.0947 8.2817 8.4011 8.6691 8.7448 9.3799 9.5525 9.9834 10.0493 10.3358 10.3846 10.7220 11.0347 14.1446 14.2062 15.3468 15.3694 15.6924 15.8081 16.1920 16.2497 k = 0.5000 0.3026 0.7530 ( 2808 PWs) bands (ev): -30.3034 -30.3034 -11.3423 -11.3397 -9.9238 -9.9204 -9.9142 -9.9139 2.5971 2.6470 3.8362 3.8558 3.9796 3.9898 6.3247 6.4274 7.1000 7.1374 7.9803 8.0604 8.2282 8.3796 8.6531 8.7475 9.4049 9.5659 10.0148 10.1216 10.4084 10.4323 10.7807 11.1021 14.0906 14.1527 15.2511 15.2759 15.6557 15.7695 16.1457 16.2216 k = 0.5000 0.3026 0.7351 ( 2812 PWs) bands (ev): -30.3035 -30.3035 -11.3418 -11.3391 -9.9240 -9.9201 -9.9127 -9.9126 2.5212 2.5720 3.8623 3.8819 3.9987 4.0111 6.3769 6.4808 7.1008 7.1500 7.9306 8.0262 8.1784 8.3558 8.6411 8.7521 9.4271 9.5761 10.0513 10.1958 10.4847 10.4847 10.8443 11.1716 14.0347 14.0966 15.1491 15.1761 15.6197 15.7307 16.0731 16.1500 k = 0.5000 0.3026 0.7171 ( 2816 PWs) bands (ev): -30.3037 -30.3036 -11.3413 -11.3384 -9.9241 -9.9199 -9.9112 -9.9111 2.4448 2.4962 3.8885 3.9079 4.0195 4.0342 6.4235 6.5269 7.1049 7.1667 7.8857 7.9922 8.1324 8.3297 8.6328 8.7586 9.4461 9.5833 10.0941 10.2717 10.5425 10.5640 10.9121 11.2430 13.9773 14.0383 15.0412 15.0701 15.5844 15.6917 15.9911 16.0692 k = 0.5000 0.3026 0.6992 ( 2808 PWs) bands (ev): -30.3038 -30.3038 -11.3407 -11.3377 -9.9242 -9.9196 -9.9097 -9.9095 2.3683 2.4201 3.9147 3.9335 4.0419 4.0591 6.4628 6.5645 7.1137 7.1875 7.8469 7.9588 8.0907 8.3019 8.6280 8.7666 9.4617 9.5877 10.1440 10.3490 10.6062 10.6459 10.9833 11.3162 13.9187 13.9783 14.9278 14.9583 15.5499 15.6527 15.9063 15.9862 k = 0.5000 0.3026 0.6813 ( 2810 PWs) bands (ev): -30.3039 -30.3039 -11.3401 -11.3369 -9.9243 -9.9194 -9.9081 -9.9077 2.2920 2.3439 3.9404 3.9585 4.0658 4.0858 6.4935 6.5928 7.1282 7.2118 7.8154 7.9258 8.0536 8.2728 8.6261 8.7762 9.4737 9.5896 10.2018 10.4276 10.6760 10.7301 11.0576 11.3908 13.8592 13.9170 14.8095 14.8412 15.5160 15.6135 15.8217 15.9039 k = 0.5000 0.3026 0.6633 ( 2808 PWs) bands (ev): -30.3041 -30.3041 -11.3394 -11.3361 -9.9244 -9.9193 -9.9063 -9.9059 2.2162 2.2680 3.9653 3.9826 4.0914 4.1141 6.5153 6.6123 7.1490 7.2379 7.7927 7.8931 8.0211 8.2432 8.6267 8.7872 9.4823 9.5892 10.2677 10.5074 10.7524 10.8162 11.1344 11.4668 13.7992 13.8547 14.6870 14.7195 15.4825 15.5737 15.7391 15.8236 k = 0.5000 0.3026 0.6454 ( 2804 PWs) bands (ev): -30.3042 -30.3042 -11.3387 -11.3353 -9.9245 -9.9191 -9.9045 -9.9039 2.1412 2.1927 3.9891 4.0053 4.1185 4.1441 6.5285 6.6239 7.1760 7.2636 7.7800 7.8606 7.9936 8.2132 8.6295 8.7995 9.4877 9.5867 10.3418 10.5884 10.8353 10.9040 11.2134 11.5439 13.7389 13.7920 14.5610 14.5940 15.4491 15.5329 15.6594 15.7463 k = 0.5000 0.3026 0.6275 ( 2802 PWs) bands (ev): -30.3044 -30.3044 -11.3379 -11.3345 -9.9246 -9.9190 -9.9025 -9.9019 2.0671 2.1182 4.0112 4.0263 4.1473 4.1756 6.5345 6.6293 7.2082 7.2866 7.7781 7.8282 7.9707 8.1835 8.6341 8.8130 9.4902 9.5826 10.4238 10.6703 10.9248 10.9934 11.2943 11.6219 13.6786 13.7291 14.4326 14.4656 15.4148 15.4903 15.5836 15.6731 k = 0.5000 0.3026 0.6096 ( 2802 PWs) bands (ev): -30.3046 -30.3046 -11.3372 -11.3337 -9.9247 -9.9188 -9.9005 -9.8998 1.9942 2.0447 4.0313 4.0453 4.1776 4.2086 6.5349 6.6302 7.2446 7.3051 7.7874 7.7962 7.9521 8.1542 8.6404 8.8277 9.4903 9.5769 10.5133 10.7531 11.0209 11.0842 11.3766 11.7006 13.6186 13.6663 14.3025 14.3354 15.3782 15.4444 15.5131 15.6050 k = 0.5000 0.3026 0.5916 ( 2802 PWs) bands (ev): -30.3048 -30.3047 -11.3363 -11.3328 -9.9247 -9.9187 -9.8984 -9.8977 1.9226 1.9724 4.0490 4.0618 4.2094 4.2431 6.5317 6.6282 7.2839 7.3183 7.7649 7.8070 7.9372 8.1257 8.6482 8.8435 9.4884 9.5702 10.6096 10.8365 11.1236 11.1764 11.4602 11.7799 13.5591 13.6042 14.1718 14.2041 15.3364 15.3942 15.4505 15.5434 k = 0.5000 0.3026 0.5737 ( 2806 PWs) bands (ev): -30.3049 -30.3049 -11.3355 -11.3320 -9.9247 -9.9186 -9.8962 -9.8955 1.8524 1.9015 4.0638 4.0755 4.2427 4.2788 6.5268 6.6251 7.3250 7.3263 7.7345 7.8353 7.9255 8.0981 8.6574 8.8604 9.4849 9.5625 10.7120 10.9200 11.2326 11.2698 11.5448 11.8596 13.5005 13.5429 14.0413 14.0728 15.2865 15.3386 15.3986 15.4888 k = 0.5000 0.3026 0.5558 ( 2806 PWs) bands (ev): -30.3051 -30.3051 -11.3346 -11.3311 -9.9247 -9.9186 -9.8940 -9.8933 1.7838 1.8320 4.0756 4.0861 4.2774 4.3158 6.5216 6.6221 7.3303 7.3668 7.7056 7.8699 7.9165 8.0720 8.6678 8.8783 9.4802 9.5542 10.8193 11.0032 11.3476 11.3646 11.6303 11.9393 13.4429 13.4829 13.9121 13.9425 15.2285 15.2782 15.3570 15.4404 k = 0.5000 0.3026 0.5378 ( 2806 PWs) bands (ev): -30.3053 -30.3053 -11.3338 -11.3302 -9.9247 -9.9185 -9.8917 -9.8910 1.7169 1.7640 4.0839 4.0933 4.3134 4.3539 6.5175 6.6205 7.3312 7.4082 7.6789 7.9080 7.9096 8.0484 8.6795 8.8972 9.4747 9.5456 10.9301 11.0855 11.4607 11.4679 11.7170 12.0188 13.3866 13.4246 13.7852 13.8140 15.1657 15.2144 15.3223 15.3968 k = 0.5000 0.3026 0.5199 ( 2802 PWs) bands (ev): -30.3055 -30.3055 -11.3329 -11.3293 -9.9247 -9.9184 -9.8893 -9.8886 1.6518 1.6978 4.0887 4.0969 4.3505 4.3932 6.5152 6.6212 7.3299 7.4478 7.6559 7.9043 7.9443 8.0310 8.6924 8.9171 9.4688 9.5369 11.0426 11.1663 11.5583 11.5918 11.8055 12.0979 13.3318 13.3680 13.6622 13.6886 15.1010 15.1487 15.2915 15.3564 k = 0.5000 0.3026 0.5020 ( 2794 PWs) bands (ev): -30.3057 -30.3056 -11.3319 -11.3284 -9.9246 -9.9184 -9.8869 -9.8862 1.5885 1.6334 4.0898 4.0968 4.3887 4.4333 6.5157 6.6250 7.3270 7.4822 7.6398 7.9002 7.9624 8.0351 8.7065 8.9379 9.4629 9.5284 11.1546 11.2448 11.6577 11.7162 11.8981 12.1763 13.2787 13.3134 13.5449 13.5677 15.0359 15.0823 15.2627 15.3180 k = 0.5000 0.3026 0.4841 ( 2794 PWs) bands (ev): -30.3059 -30.3058 -11.3310 -11.3275 -9.9246 -9.9184 -9.8845 -9.8838 1.5271 1.5708 4.0872 4.0930 4.4278 4.4744 6.5191 6.6323 7.3230 7.5045 7.6378 7.8970 7.9530 8.0694 8.7218 8.9596 9.4571 9.5203 11.2631 11.3200 11.7588 11.8345 11.9999 12.2538 13.2272 13.2601 13.4361 13.4528 14.9712 15.0159 15.2350 15.2807 k = 0.5000 0.3026 0.4661 ( 2794 PWs) bands (ev): -30.3061 -30.3060 -11.3301 -11.3266 -9.9245 -9.9183 -9.8821 -9.8814 1.4677 1.5102 4.0809 4.0854 4.4678 4.5162 6.5259 6.6434 7.3182 7.5083 7.6565 7.8943 7.9345 8.1148 8.7383 8.9822 9.4520 9.5129 11.3649 11.3908 11.8615 11.9381 12.1180 12.3304 13.1772 13.2063 13.3408 13.3466 14.9074 14.9499 15.2078 15.2442 k = 0.5000 0.3026 0.4482 ( 2798 PWs) bands (ev): -30.3063 -30.3062 -11.3291 -11.3257 -9.9244 -9.9183 -9.8796 -9.8790 1.4103 1.4515 4.0710 4.0743 4.5084 4.5587 6.5359 6.6584 7.3126 7.4982 7.6913 7.8919 7.9143 8.1638 8.7559 9.0057 9.4477 9.5062 11.4557 11.4562 11.9643 12.0237 12.2536 12.4065 13.1278 13.1488 13.2525 13.2660 14.8448 14.8848 15.1808 15.2080 k = 0.5000 0.3026 0.4303 ( 2810 PWs) bands (ev): -30.3065 -30.3064 -11.3282 -11.3248 -9.9243 -9.9183 -9.8771 -9.8766 1.3550 1.3949 4.0578 4.0599 4.5497 4.6016 6.5489 6.6773 7.3063 7.4821 7.7345 7.8898 7.8940 8.2147 8.7748 9.0299 9.4444 9.5004 11.5128 11.5329 12.0643 12.0937 12.4017 12.4830 13.0770 13.0890 13.1762 13.2155 14.7835 14.8208 15.1537 15.1719 k = 0.5000 0.3026 0.4124 ( 2800 PWs) bands (ev): -30.3066 -30.3066 -11.3272 -11.3240 -9.9242 -9.9183 -9.8747 -9.8742 1.3019 1.3403 4.0415 4.0424 4.5915 4.6450 6.5648 6.7000 7.2994 7.4642 7.7814 7.8741 7.8889 8.2670 8.7950 9.0550 9.4425 9.4959 11.5598 11.5915 12.1502 12.1560 12.5565 12.5607 13.0254 13.0382 13.1220 13.1851 14.7237 14.7583 15.1263 15.1357 k = 0.5000 0.3026 0.3944 ( 2804 PWs) bands (ev): -30.3068 -30.3068 -11.3263 -11.3231 -9.9241 -9.9183 -9.8722 -9.8718 1.2509 1.2879 4.0223 4.0224 4.6336 4.6886 6.5831 6.7260 7.2918 7.4461 7.8261 7.8545 7.8931 8.3206 8.8166 9.0808 9.4420 9.4926 11.5939 11.6288 12.1938 12.2331 12.6376 12.7111 12.9804 13.0115 13.0901 13.1703 14.6656 14.6974 15.0982 15.0991 k = 0.5000 0.3026 0.3765 ( 2802 PWs) bands (ev): -30.3070 -30.3070 -11.3253 -11.3223 -9.9239 -9.9183 -9.8698 -9.8694 1.2021 1.2376 3.9998 4.0010 4.6760 4.7323 6.6033 6.7549 7.2835 7.4285 7.8354 7.8517 7.9189 8.3756 8.8397 9.1072 9.4433 9.4906 11.6122 11.6427 12.2250 12.2906 12.7042 12.8438 12.9572 13.0257 13.0883 13.1692 14.6093 14.6383 15.0621 15.0691 k = 0.5000 0.3026 0.3586 ( 2796 PWs) bands (ev): -30.3072 -30.3071 -11.3244 -11.3215 -9.9238 -9.9183 -9.8674 -9.8670 1.1555 1.1895 3.9755 3.9776 4.7184 4.7760 6.6250 6.7865 7.2746 7.4120 7.8167 7.8544 7.9697 8.4317 8.8644 9.1342 9.4465 9.4901 11.6124 11.6331 12.2453 12.3276 12.7501 12.8873 12.9796 13.0895 13.1587 13.1829 14.5549 14.5813 15.0243 15.0387 k = 0.5000 0.3026 0.3406 ( 2798 PWs) bands (ev): -30.3074 -30.3073 -11.3235 -11.3207 -9.9236 -9.9183 -9.8650 -9.8647 1.1112 1.1437 3.9498 3.9527 4.7608 4.8194 6.6478 6.8201 7.2649 7.3967 7.7982 7.8495 8.0300 8.4891 8.8910 9.1616 9.4518 9.4910 11.5938 11.6020 12.2573 12.3463 12.7817 12.8843 12.9992 13.1641 13.2381 13.3038 14.5025 14.5264 14.9855 15.0069 k = 0.5000 0.3026 0.3227 ( 2794 PWs) bands (ev): -30.3075 -30.3075 -11.3226 -11.3199 -9.9234 -9.9184 -9.8627 -9.8624 1.0691 1.1000 3.9230 3.9265 4.8030 4.8624 6.6711 6.8554 7.2545 7.3828 7.7800 7.8417 8.0952 8.5473 8.9198 9.1891 9.4593 9.4934 11.5530 11.5574 12.2629 12.3503 12.8110 12.8817 13.0152 13.1986 13.3649 13.4726 14.4523 14.4738 14.9455 14.9733 k = 0.5000 0.3026 0.3048 ( 2798 PWs) bands (ev): -30.3077 -30.3077 -11.3218 -11.3192 -9.9232 -9.9184 -9.8605 -9.8602 1.0293 1.0586 3.8955 3.8996 4.8448 4.9047 6.6946 6.8918 7.2434 7.3704 7.7620 7.8317 8.1640 8.6062 8.9513 9.2166 9.4693 9.4972 11.4903 11.5061 12.2629 12.3428 12.8430 12.8833 13.0348 13.2245 13.5170 13.6481 14.4043 14.4237 14.9042 14.9377 k = 0.5000 0.3026 0.2869 ( 2798 PWs) bands (ev): -30.3079 -30.3078 -11.3209 -11.3185 -9.9230 -9.9184 -9.8583 -9.8581 0.9917 1.0195 3.8678 3.8724 4.8861 4.9463 6.7179 6.9289 7.2318 7.3597 7.7440 7.8201 8.2359 8.6650 8.9859 9.2438 9.4820 9.5025 11.4179 11.4433 12.2571 12.3269 12.8781 12.8892 13.0573 13.2482 13.6789 13.8247 14.3586 14.3762 14.8613 14.9002 k = 0.5000 0.3026 0.2689 ( 2802 PWs) bands (ev): -30.3080 -30.3080 -11.3201 -11.3178 -9.9229 -9.9185 -9.8562 -9.8561 0.9565 0.9826 3.8402 3.8451 4.9267 4.9868 6.7407 6.9663 7.2195 7.3508 7.7260 7.8069 8.3105 8.7228 9.0245 9.2703 9.4975 9.5090 11.3391 11.3725 12.2452 12.3047 12.8990 12.9146 13.0808 13.2689 13.8452 13.9990 14.3153 14.3313 14.8168 14.8612 k = 0.5000 0.3026 0.2510 ( 2792 PWs) bands (ev): -30.3082 -30.3081 -11.3193 -11.3171 -9.9227 -9.9185 -9.8542 -9.8541 0.9236 0.9480 3.8130 3.8181 4.9664 5.0260 6.7628 7.0037 7.2068 7.3438 7.7079 7.7922 8.3873 8.7786 9.0679 9.2958 9.5163 9.5169 11.2566 11.2966 12.2270 12.2776 12.9116 12.9511 13.1036 13.2855 14.0122 14.1665 14.2745 14.2891 14.7708 14.8213 k = 0.5000 0.3026 0.2331 ( 2788 PWs) bands (ev): -30.3083 -30.3083 -11.3186 -11.3165 -9.9225 -9.9186 -9.8523 -9.8522 0.8930 0.9158 3.7866 3.7917 5.0050 5.0636 6.7840 7.0406 7.1939 7.3387 7.6898 7.7761 8.4657 8.8313 9.1168 9.3199 9.5258 9.5384 11.1724 11.2179 12.2024 12.2467 12.9258 12.9860 13.1247 13.2972 14.1761 14.2354 14.2497 14.3212 14.7235 14.7817 k = 0.5000 0.3026 0.2151 ( 2788 PWs) bands (ev): -30.3084 -30.3084 -11.3179 -11.3160 -9.9223 -9.9187 -9.8505 -9.8504 0.8647 0.8858 3.7611 3.7662 5.0422 5.0995 6.8042 7.0763 7.1811 7.3356 7.6715 7.7587 8.5451 8.8800 9.1714 9.3426 9.5358 9.5639 11.0880 11.1381 12.1719 12.2125 12.9405 13.0182 13.1437 13.3035 14.1997 14.2125 14.3327 14.4492 14.6751 14.7447 k = 0.5000 0.3026 0.1972 ( 2796 PWs) bands (ev): -30.3086 -30.3085 -11.3172 -11.3155 -9.9221 -9.9187 -9.8488 -9.8488 0.8388 0.8581 3.7369 3.7419 5.0779 5.1334 6.8234 7.1091 7.1702 7.3346 7.6530 7.7400 8.6245 8.9245 9.2314 9.3637 9.5467 9.5926 11.0046 11.0586 12.1360 12.1753 12.9548 13.0470 13.1605 13.3047 14.1663 14.1786 14.4720 14.5330 14.6263 14.7137 k = 0.5000 0.3026 0.1793 ( 2800 PWs) bands (ev): -30.3087 -30.3086 -11.3166 -11.3150 -9.9219 -9.9188 -9.8473 -9.8472 0.8151 0.8328 3.7141 3.7189 5.1120 5.1650 6.8416 7.1292 7.1710 7.3357 7.6344 7.7202 8.7031 8.9647 9.2956 9.3833 9.5583 9.6243 10.9232 10.9805 12.0954 12.1355 12.9682 13.0720 13.1752 13.3013 14.1356 14.1473 14.5607 14.5739 14.5825 14.6905 k = 0.5000 0.3026 0.1614 ( 2804 PWs) bands (ev): -30.3088 -30.3088 -11.3160 -11.3146 -9.9217 -9.9189 -9.8458 -9.8458 0.7938 0.8098 3.6930 3.6976 5.1440 5.1941 6.8588 7.1251 7.1950 7.3388 7.6156 7.6993 8.7798 9.0012 9.3625 9.4019 9.5706 9.6584 10.8449 10.9048 12.0512 12.0932 12.9806 13.0926 13.1880 13.2943 14.1075 14.1187 14.5296 14.5482 14.6350 14.6690 k = 0.5000 0.3026 0.1434 ( 2804 PWs) bands (ev): -30.3089 -30.3088 -11.3155 -11.3142 -9.9215 -9.9190 -9.8445 -9.8445 0.7749 0.7891 3.6737 3.6780 5.1739 5.2204 6.8752 7.1124 7.2265 7.3440 7.5966 7.6774 8.8531 9.0342 9.4198 9.4298 9.5837 9.6942 10.7705 10.8322 12.0046 12.0489 12.9922 13.1088 13.1993 13.2852 14.0823 14.0930 14.4837 14.5188 14.6445 14.6448 k = 0.5000 0.3026 0.1255 ( 2812 PWs) bands (ev): -30.3090 -30.3089 -11.3150 -11.3139 -9.9213 -9.9191 -9.8434 -9.8433 0.7582 0.7707 3.6564 3.6603 5.2014 5.2437 6.8908 7.0979 7.2588 7.3511 7.5776 7.6545 8.9218 9.0641 9.4376 9.4942 9.5990 9.7309 10.7008 10.7634 11.9570 12.0032 13.0032 13.1201 13.2093 13.2755 14.0599 14.0701 14.4406 14.4835 14.6192 14.6318 k = 0.5000 0.3026 0.1076 ( 2816 PWs) bands (ev): -30.3090 -30.3090 -11.3146 -11.3136 -9.9211 -9.9192 -9.8423 -9.8423 0.7439 0.7546 3.6412 3.6446 5.2263 5.2639 6.9059 7.0828 7.2909 7.3601 7.5585 7.6309 8.9841 9.0909 9.4558 9.5482 9.6216 9.7670 10.6371 10.6993 11.9104 11.9572 13.0140 13.1263 13.2179 13.2664 14.0404 14.0500 14.4014 14.4465 14.5960 14.6118 k = 0.5000 0.3026 0.0896 ( 2820 PWs) bands (ev): -30.3091 -30.3091 -11.3142 -11.3134 -9.9209 -9.9193 -9.8415 -9.8415 0.7320 0.7409 3.6282 3.6311 5.2483 5.2806 6.9205 7.0675 7.3224 7.3707 7.5395 7.6065 9.0386 9.1144 9.4749 9.5797 9.6614 9.8012 10.5805 10.6405 11.8669 11.9121 13.0249 13.1275 13.2254 13.2593 14.0241 14.0328 14.3671 14.4105 14.5764 14.5916 k = 0.5000 0.3026 0.0717 ( 2824 PWs) bands (ev): -30.3092 -30.3091 -11.3139 -11.3132 -9.9207 -9.9194 -9.8408 -9.8408 0.7224 0.7295 3.6175 3.6199 5.2674 5.2939 6.9348 7.0521 7.3530 7.3828 7.5207 7.5814 9.0839 9.1344 9.4952 9.5927 9.7118 9.8312 10.5325 10.5878 11.8286 11.8697 13.0362 13.1241 13.2317 13.2545 14.0109 14.0185 14.3386 14.3771 14.5608 14.5738 k = 0.5000 0.3026 0.0538 ( 2820 PWs) bands (ev): -30.3092 -30.3092 -11.3136 -11.3131 -9.9205 -9.9196 -9.8402 -9.8402 0.7151 0.7204 3.6092 3.6110 5.2832 5.3035 6.9490 7.0368 7.3828 7.3962 7.5024 7.5558 9.1194 9.1505 9.5163 9.5968 9.7610 9.8545 10.4951 10.5423 11.7978 11.8320 13.0478 13.1170 13.2369 13.2515 14.0009 14.0070 14.3169 14.3481 14.5493 14.5593 k = 0.5000 0.3026 0.0359 ( 2824 PWs) bands (ev): -30.3092 -30.3092 -11.3134 -11.3131 -9.9203 -9.9197 -9.8398 -9.8398 0.7101 0.7137 3.6033 3.6045 5.2957 5.3094 6.9632 7.0217 7.4107 7.4111 7.4852 7.5297 9.1447 9.1620 9.5375 9.5947 9.8038 9.8685 10.4701 10.5051 11.7763 11.8009 13.0599 13.1075 13.2410 13.2497 13.9941 13.9984 14.3027 14.3245 14.5417 14.5484 k = 0.5000 0.3026 0.0179 ( 2824 PWs) bands (ev): -30.3092 -30.3092 -11.3132 -11.3131 -9.9202 -9.9199 -9.8395 -9.8395 0.7075 0.7093 3.5999 3.6005 5.3046 5.3115 6.9775 7.0067 7.4255 7.4350 7.4723 7.5036 9.1606 9.1681 9.5574 9.5871 9.8376 9.8708 10.4588 10.4776 11.7657 11.7785 13.0721 13.0963 13.2442 13.2482 13.9906 13.9928 14.2963 14.3076 14.5378 14.5412 k = 0.5000 0.3026 0.0000 ( 2828 PWs) bands (ev): -30.3092 -30.3092 -11.3131 -11.3131 -9.9200 -9.9200 -9.8395 -9.8395 0.7073 0.7073 3.5990 3.5990 5.3099 5.3099 6.9920 6.9920 7.4383 7.4383 7.4798 7.4798 9.1680 9.1680 9.5743 9.5743 9.8604 9.8604 10.4616 10.4616 11.7665 11.7665 13.0844 13.0844 13.2465 13.2465 13.9901 13.9901 14.2980 14.2980 14.5377 14.5377 k = 0.0000 0.0000 0.9657 ( 2816 PWs) bands (ev): -30.3027 -30.3027 -11.3444 -11.3444 -9.9232 -9.9232 -9.9213 -9.9213 3.2250 3.2250 3.6198 3.6198 3.8771 3.8771 5.8594 5.8594 7.1183 7.1183 8.3458 8.3458 8.7325 8.7325 8.8474 8.8474 9.1879 9.1879 9.6467 9.6467 10.0514 10.0514 10.5313 10.5313 14.4968 14.4968 15.8563 15.8563 15.9924 15.9924 16.0735 16.0735 k = 0.0147 0.0089 0.9657 ( 2808 PWs) bands (ev): -30.3027 -30.3027 -11.3444 -11.3444 -9.9232 -9.9232 -9.9213 -9.9213 3.2253 3.2253 3.6201 3.6201 3.8768 3.8768 5.8566 5.8566 7.1216 7.1216 8.3464 8.3464 8.7318 8.7318 8.8475 8.8475 9.1886 9.1886 9.6481 9.6481 10.0508 10.0508 10.5294 10.5294 14.4921 14.4921 15.8516 15.8516 15.9918 15.9918 16.0715 16.0715 k = 0.0294 0.0178 0.9657 ( 2808 PWs) bands (ev): -30.3027 -30.3027 -11.3444 -11.3444 -9.9232 -9.9232 -9.9214 -9.9214 3.2263 3.2263 3.6210 3.6210 3.8757 3.8757 5.8483 5.8483 7.1314 7.1314 8.3480 8.3480 8.7296 8.7296 8.8480 8.8480 9.1906 9.1906 9.6521 9.6521 10.0490 10.0490 10.5238 10.5238 14.4780 14.4780 15.8385 15.8385 15.9901 15.9901 16.0660 16.0660 k = 0.0441 0.0267 0.9657 ( 2812 PWs) bands (ev): -30.3027 -30.3027 -11.3444 -11.3444 -9.9232 -9.9232 -9.9214 -9.9214 3.2278 3.2278 3.6225 3.6225 3.8740 3.8740 5.8352 5.8352 7.1470 7.1470 8.3507 8.3507 8.7260 8.7260 8.8488 8.8488 9.1939 9.1939 9.6588 9.6588 10.0461 10.0461 10.5146 10.5146 14.4554 14.4554 15.8199 15.8199 15.9878 15.9878 16.0576 16.0576 k = 0.0588 0.0356 0.9657 ( 2808 PWs) bands (ev): -30.3027 -30.3027 -11.3444 -11.3444 -9.9232 -9.9232 -9.9214 -9.9214 3.2298 3.2298 3.6246 3.6246 3.8716 3.8716 5.8178 5.8178 7.1676 7.1676 8.3544 8.3544 8.7211 8.7211 8.8498 8.8498 9.1985 9.1985 9.6680 9.6680 10.0421 10.0421 10.5018 10.5018 14.4255 14.4255 15.7988 15.7988 15.9848 15.9848 16.0472 16.0472 k = 0.0735 0.0445 0.9657 ( 2808 PWs) bands (ev): -30.3027 -30.3027 -11.3444 -11.3444 -9.9231 -9.9231 -9.9214 -9.9214 3.2323 3.2323 3.6272 3.6272 3.8687 3.8687 5.7971 5.7971 7.1922 7.1922 8.3591 8.3591 8.7151 8.7151 8.8509 8.8509 9.2044 9.2044 9.6797 9.6797 10.0370 10.0370 10.4856 10.4856 14.3899 14.3899 15.7778 15.7778 15.9809 15.9809 16.0360 16.0360 k = 0.0882 0.0534 0.9657 ( 2804 PWs) bands (ev): -30.3026 -30.3026 -11.3444 -11.3444 -9.9231 -9.9231 -9.9214 -9.9214 3.2352 3.2352 3.6302 3.6302 3.8652 3.8652 5.7741 5.7741 7.2197 7.2197 8.3647 8.3647 8.7081 8.7081 8.8521 8.8521 9.2115 9.2115 9.6937 9.6937 10.0310 10.0310 10.4663 10.4663 14.3503 14.3503 15.7582 15.7582 15.9757 15.9757 16.0252 16.0252 k = 0.1029 0.0623 0.9657 ( 2806 PWs) bands (ev): -30.3027 -30.3027 -11.3444 -11.3444 -9.9231 -9.9231 -9.9215 -9.9215 3.2384 3.2384 3.6337 3.6337 3.8613 3.8613 5.7498 5.7498 7.2489 7.2489 8.3713 8.3713 8.7003 8.7003 8.8532 8.8532 9.2198 9.2198 9.7099 9.7099 10.0240 10.0240 10.4441 10.4441 14.3085 14.3085 15.7408 15.7408 15.9688 15.9688 16.0160 16.0160 k = 0.1176 0.0712 0.9657 ( 2802 PWs) bands (ev): -30.3026 -30.3026 -11.3444 -11.3444 -9.9230 -9.9230 -9.9215 -9.9215 3.2418 3.2418 3.6375 3.6375 3.8570 3.8570 5.7250 5.7250 7.2787 7.2787 8.3786 8.3786 8.6918 8.6918 8.8543 8.8543 9.2289 9.2289 9.7280 9.7280 10.0164 10.0164 10.4194 10.4194 14.2660 14.2660 15.7259 15.7259 15.9605 15.9605 16.0089 16.0089 k = 0.1324 0.0801 0.9657 ( 2796 PWs) bands (ev): -30.3026 -30.3026 -11.3444 -11.3444 -9.9230 -9.9230 -9.9215 -9.9215 3.2453 3.2453 3.6415 3.6415 3.8525 3.8525 5.7006 5.7006 7.3082 7.3082 8.3866 8.3866 8.6828 8.6828 8.8553 8.8553 9.2388 9.2388 9.7479 9.7479 10.0083 10.0083 10.3926 10.3926 14.2243 14.2243 15.7135 15.7135 15.9516 15.9516 16.0036 16.0036 k = 0.1471 0.0890 0.9657 ( 2792 PWs) bands (ev): -30.3026 -30.3026 -11.3444 -11.3444 -9.9230 -9.9230 -9.9216 -9.9216 3.2487 3.2487 3.6456 3.6456 3.8479 3.8479 5.6773 5.6773 7.3363 7.3363 8.3950 8.3950 8.6735 8.6735 8.8562 8.8562 9.2491 9.2491 9.7691 9.7691 9.9998 9.9998 10.3644 10.3644 14.1847 14.1847 15.7033 15.7033 15.9430 15.9430 15.9995 15.9995 k = 0.1618 0.0979 0.9657 ( 2788 PWs) bands (ev): -30.3026 -30.3026 -11.3444 -11.3444 -9.9230 -9.9230 -9.9216 -9.9216 3.2520 3.2520 3.6497 3.6497 3.8433 3.8433 5.6559 5.6559 7.3623 7.3623 8.4037 8.4037 8.6642 8.6642 8.8570 8.8570 9.2595 9.2595 9.7914 9.7914 9.9912 9.9912 10.3354 10.3354 14.1484 14.1484 15.6950 15.6950 15.9357 15.9357 15.9962 15.9962 k = 0.1765 0.1068 0.9657 ( 2786 PWs) bands (ev): -30.3026 -30.3026 -11.3444 -11.3444 -9.9230 -9.9230 -9.9216 -9.9216 3.2550 3.2550 3.6536 3.6536 3.8390 3.8390 5.6368 5.6368 7.3854 7.3854 8.4122 8.4122 8.6552 8.6552 8.8576 8.8576 9.2696 9.2696 9.8141 9.8141 9.9827 9.9827 10.3066 10.3066 14.1163 14.1163 15.6886 15.6886 15.9301 15.9301 15.9931 15.9931 k = 0.1912 0.1157 0.9657 ( 2786 PWs) bands (ev): -30.3026 -30.3026 -11.3444 -11.3444 -9.9230 -9.9230 -9.9216 -9.9216 3.2576 3.2576 3.6572 3.6572 3.8351 3.8351 5.6205 5.6205 7.4051 7.4051 8.4203 8.4203 8.6468 8.6468 8.8581 8.8581 9.2787 9.2787 9.8364 9.8364 9.9746 9.9746 10.2792 10.2792 14.0891 14.0891 15.6836 15.6836 15.9264 15.9264 15.9900 15.9900 k = 0.2059 0.1246 0.9657 ( 2794 PWs) bands (ev): -30.3026 -30.3026 -11.3444 -11.3444 -9.9230 -9.9230 -9.9216 -9.9216 3.2598 3.2598 3.6602 3.6602 3.8317 3.8317 5.6074 5.6074 7.4209 7.4209 8.4273 8.4273 8.6395 8.6395 8.8585 8.8585 9.2865 9.2865 9.8574 9.8574 9.9672 9.9672 10.2545 10.2545 14.0673 14.0673 15.6800 15.6800 15.9246 15.9246 15.9869 15.9869 k = 0.2206 0.1335 0.9657 ( 2814 PWs) bands (ev): -30.3027 -30.3027 -11.3444 -11.3444 -9.9230 -9.9230 -9.9216 -9.9216 3.2614 3.2614 3.6625 3.6625 3.8291 3.8291 5.5979 5.5979 7.4324 7.4324 8.4329 8.4329 8.6338 8.6338 8.8588 8.8588 9.2925 9.2925 9.8753 9.8753 9.9607 9.9607 10.2346 10.2346 14.0515 14.0515 15.6775 15.6775 15.9242 15.9242 15.9839 15.9839 k = 0.2353 0.1424 0.9657 ( 2808 PWs) bands (ev): -30.3027 -30.3027 -11.3444 -11.3444 -9.9231 -9.9231 -9.9215 -9.9215 3.2624 3.2624 3.6640 3.6640 3.8275 3.8275 5.5920 5.5920 7.4394 7.4394 8.4364 8.4364 8.6302 8.6302 8.8589 8.8589 9.2962 9.2962 9.8880 9.8880 9.9559 9.9559 10.2216 10.2216 14.0419 14.0419 15.6760 15.6760 15.9246 15.9246 15.9816 15.9816 k = 0.2500 0.1513 0.9657 ( 2804 PWs) bands (ev): -30.3026 -30.3026 -11.3444 -11.3444 -9.9231 -9.9231 -9.9214 -9.9214 3.2628 3.2628 3.6646 3.6646 3.8269 3.8269 5.5900 5.5900 7.4418 7.4418 8.4376 8.4376 8.6290 8.6290 8.8590 8.8590 9.2974 9.2974 9.8926 9.8926 9.9541 9.9541 10.2170 10.2170 14.0387 14.0387 15.6755 15.6755 15.9250 15.9250 15.9806 15.9806 Writing output data file YSi3Ir.save init_run : 4.34s CPU 13.62s WALL ( 1 calls) electrons : 611.70s CPU 618.58s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.21s CPU 1.44s WALL ( 1 calls) Called by electrons: c_bands : 611.64s CPU 618.30s WALL ( 1 calls) v_of_rho : 0.08s CPU 0.92s WALL ( 1 calls) v_h : 0.01s CPU 0.02s WALL ( 1 calls) v_xc : 0.07s CPU 0.53s WALL ( 1 calls) newd : 0.47s CPU 0.60s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.07s WALL ( 351 calls) cegterg : 574.97s CPU 579.03s WALL ( 983 calls) Called by sum_band: Called by *egterg: h_psi : 284.39s CPU 293.99s WALL ( 17791 calls) s_psi : 37.11s CPU 38.00s WALL ( 17791 calls) g_psi : 0.41s CPU 0.47s WALL ( 16457 calls) cdiaghg : 197.54s CPU 194.18s WALL ( 16808 calls) cegterg:over : 40.91s CPU 36.32s WALL ( 16457 calls) cegterg:upda : 4.05s CPU 7.86s WALL ( 16457 calls) cegterg:last : 4.01s CPU 5.03s WALL ( 2550 calls) Called by h_psi: h_psi:vloc : 214.30s CPU 222.64s WALL ( 17791 calls) h_psi:vnl : 69.93s CPU 70.75s WALL ( 17791 calls) add_vuspsi : 23.31s CPU 29.16s WALL ( 17791 calls) General routines calbec : 46.58s CPU 41.45s WALL ( 17791 calls) fft : 0.07s CPU 1.02s WALL ( 19 calls) ffts : 0.00s CPU 0.02s WALL ( 4 calls) fftw : 201.68s CPU 207.64s WALL ( 1281584 calls) interpolate : 0.01s CPU 0.04s WALL ( 4 calls) davcio : 0.03s CPU 0.50s WALL ( 702 calls) Parallel routines fft_scatter : 127.79s CPU 131.64s WALL ( 1281607 calls) PWSCF : 10m55.81s CPU 12m 7.91s WALL This run was terminated on: 16: 0:32 19Jun2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=