Program PWSCF v.5.1.1 starts on 7Oct2015 at 22:26:58 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./YPPt.save/ file Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 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 37 14 4 1199 276 46 Max 38 15 5 1204 289 51 Sum 1789 673 211 57685 13457 2291 bravais-lattice index = 14 lattice parameter (alat) = 7.7422 a.u. unit-cell volume = 379.1478 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 3 number of electrons = 26.00 number of Kohn-Sham states= 34 kinetic-energy cutoff = 41.0000 Ry charge density cutoff = 433.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.742207 celldm(2)= 1.000000 celldm(3)= 0.943373 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 0.943373 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 1.060026 ) PseudoPot. # 1 for P read from file: /home/autes/Pseudo/P.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 667ec27f6326587e4f0d1734a2230026 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1147 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 Pt read from file: /home/autes/Pseudo/Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5a767c0d250ba2b616d7addddc548ecc Pseudo is Ultrasoft + core correction, Zval = 10.0 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. # 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 P 5.00 30.97380 P( 1.00) Pt 10.00 195.08400 Pt( 1.00) Y 11.00 88.90590 Y( 1.00) 12 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 = 2 180 deg rotation - cart. axis [0,1,0] cryst. s( 2) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 5) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.5000000 -0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [2,1,0] cryst. s( 6) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 6) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 7) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 7) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 60 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 9) = ( -0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 60 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s(10) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3h (-62m) there are 9 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3C2' s_h 2S3 -2S3 3s_v -3C2' -s_h' -3s_v G_7 2.00 -2.00 1.00 -1.00 0.00 0.00 1.73 -1.73 0.00 G_8 2.00 -2.00 1.00 -1.00 0.00 0.00 -1.73 1.73 0.00 G_9 2.00 -2.00 -2.00 2.00 0.00 0.00 0.00 0.00 0.00 the symmetry operations in each class: E 1 3C2'-3C2' 2 -6 -5 -2 5 6 2C3 3 4 3s_v-3s_v 7 -7 3s_v-3s_v 8 -8 11 -12 -11 12 2S3 9 10 -E -1 -2C3 -3 -4 -2S3 -9 -10 Cartesian axes number of k points= 378 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026455 k( 2) = ( 0.0111111 0.0064150 -0.0000000), wk = 0.0026455 k( 3) = ( 0.0222222 0.0128300 -0.0000000), wk = 0.0026455 k( 4) = ( 0.0333333 0.0192450 -0.0000000), wk = 0.0026455 k( 5) = ( 0.0444444 0.0256600 -0.0000000), wk = 0.0026455 k( 6) = ( 0.0555556 0.0320750 -0.0000000), wk = 0.0026455 k( 7) = ( 0.0666667 0.0384900 -0.0000000), wk = 0.0026455 k( 8) = ( 0.0777778 0.0449050 -0.0000000), wk = 0.0026455 k( 9) = ( 0.0888889 0.0513200 -0.0000000), wk = 0.0026455 k( 10) = ( 0.1000000 0.0577350 -0.0000000), wk = 0.0026455 k( 11) = ( 0.1111111 0.0641500 -0.0000000), wk = 0.0026455 k( 12) = ( 0.1222222 0.0705650 -0.0000000), wk = 0.0026455 k( 13) = ( 0.1333333 0.0769800 -0.0000000), wk = 0.0026455 k( 14) = ( 0.1444444 0.0833950 -0.0000000), wk = 0.0026455 k( 15) = ( 0.1555556 0.0898100 -0.0000000), wk = 0.0026455 k( 16) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0026455 k( 17) = ( 0.1777778 0.1026400 -0.0000000), wk = 0.0026455 k( 18) = ( 0.1888889 0.1090551 -0.0000000), wk = 0.0026455 k( 19) = ( 0.2000000 0.1154701 -0.0000000), wk = 0.0026455 k( 20) = ( 0.2111111 0.1218851 -0.0000000), wk = 0.0026455 k( 21) = ( 0.2222222 0.1283001 -0.0000000), wk = 0.0026455 k( 22) = ( 0.2333333 0.1347151 -0.0000000), wk = 0.0026455 k( 23) = ( 0.2444444 0.1411301 -0.0000000), wk = 0.0026455 k( 24) = ( 0.2555556 0.1475451 -0.0000000), wk = 0.0026455 k( 25) = ( 0.2666667 0.1539601 -0.0000000), wk = 0.0026455 k( 26) = ( 0.2777778 0.1603751 -0.0000000), wk = 0.0026455 k( 27) = ( 0.2888889 0.1667901 -0.0000000), wk = 0.0026455 k( 28) = ( 0.3000000 0.1732051 -0.0000000), wk = 0.0026455 k( 29) = ( 0.3111111 0.1796201 -0.0000000), wk = 0.0026455 k( 30) = ( 0.3222222 0.1860351 -0.0000000), wk = 0.0026455 k( 31) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0026455 k( 32) = ( 0.3444444 0.1988651 -0.0000000), wk = 0.0026455 k( 33) = ( 0.3555556 0.2052801 -0.0000000), wk = 0.0026455 k( 34) = ( 0.3666667 0.2116951 -0.0000000), wk = 0.0026455 k( 35) = ( 0.3777778 0.2181101 -0.0000000), wk = 0.0026455 k( 36) = ( 0.3888889 0.2245251 -0.0000000), wk = 0.0026455 k( 37) = ( 0.4000000 0.2309401 -0.0000000), wk = 0.0026455 k( 38) = ( 0.4111111 0.2373551 -0.0000000), wk = 0.0026455 k( 39) = ( 0.4222222 0.2437701 -0.0000000), wk = 0.0026455 k( 40) = ( 0.4333333 0.2501851 -0.0000000), wk = 0.0026455 k( 41) = ( 0.4444444 0.2566001 -0.0000000), wk = 0.0026455 k( 42) = ( 0.4555556 0.2630151 -0.0000000), wk = 0.0026455 k( 43) = ( 0.4666667 0.2694301 -0.0000000), wk = 0.0026455 k( 44) = ( 0.4777778 0.2758451 -0.0000000), wk = 0.0026455 k( 45) = ( 0.4888889 0.2822601 -0.0000000), wk = 0.0026455 k( 46) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0026455 k( 47) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0026455 k( 48) = ( 0.4935897 0.2997780 -0.0000000), wk = 0.0026455 k( 49) = ( 0.4871795 0.3108809 -0.0000000), wk = 0.0026455 k( 50) = ( 0.4807692 0.3219838 -0.0000000), wk = 0.0026455 k( 51) = ( 0.4743590 0.3330867 -0.0000000), wk = 0.0026455 k( 52) = ( 0.4679487 0.3441896 -0.0000000), wk = 0.0026455 k( 53) = ( 0.4615385 0.3552925 -0.0000000), wk = 0.0026455 k( 54) = ( 0.4551282 0.3663954 -0.0000000), wk = 0.0026455 k( 55) = ( 0.4487179 0.3774983 -0.0000000), wk = 0.0026455 k( 56) = ( 0.4423077 0.3886011 -0.0000000), wk = 0.0026455 k( 57) = ( 0.4358974 0.3997040 -0.0000000), wk = 0.0026455 k( 58) = ( 0.4294872 0.4108069 -0.0000000), wk = 0.0026455 k( 59) = ( 0.4230769 0.4219098 -0.0000000), wk = 0.0026455 k( 60) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0026455 k( 61) = ( 0.4102564 0.4441156 -0.0000000), wk = 0.0026455 k( 62) = ( 0.4038462 0.4552185 -0.0000000), wk = 0.0026455 k( 63) = ( 0.3974359 0.4663214 -0.0000000), wk = 0.0026455 k( 64) = ( 0.3910256 0.4774243 -0.0000000), wk = 0.0026455 k( 65) = ( 0.3846154 0.4885271 -0.0000000), wk = 0.0026455 k( 66) = ( 0.3782051 0.4996300 -0.0000000), wk = 0.0026455 k( 67) = ( 0.3717949 0.5107329 -0.0000000), wk = 0.0026455 k( 68) = ( 0.3653846 0.5218358 -0.0000000), wk = 0.0026455 k( 69) = ( 0.3589744 0.5329387 -0.0000000), wk = 0.0026455 k( 70) = ( 0.3525641 0.5440416 -0.0000000), wk = 0.0026455 k( 71) = ( 0.3461538 0.5551445 -0.0000000), wk = 0.0026455 k( 72) = ( 0.3397436 0.5662474 -0.0000000), wk = 0.0026455 k( 73) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0026455 k( 74) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0026455 k( 75) = ( 0.3269231 0.5662474 -0.0000000), wk = 0.0026455 k( 76) = ( 0.3205128 0.5551445 -0.0000000), wk = 0.0026455 k( 77) = ( 0.3141026 0.5440416 -0.0000000), wk = 0.0026455 k( 78) = ( 0.3076923 0.5329387 -0.0000000), wk = 0.0026455 k( 79) = ( 0.3012821 0.5218358 -0.0000000), wk = 0.0026455 k( 80) = ( 0.2948718 0.5107329 -0.0000000), wk = 0.0026455 k( 81) = ( 0.2884615 0.4996300 -0.0000000), wk = 0.0026455 k( 82) = ( 0.2820513 0.4885271 -0.0000000), wk = 0.0026455 k( 83) = ( 0.2756410 0.4774243 -0.0000000), wk = 0.0026455 k( 84) = ( 0.2692308 0.4663214 -0.0000000), wk = 0.0026455 k( 85) = ( 0.2628205 0.4552185 -0.0000000), wk = 0.0026455 k( 86) = ( 0.2564103 0.4441156 -0.0000000), wk = 0.0026455 k( 87) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0026455 k( 88) = ( 0.2435897 0.4219098 -0.0000000), wk = 0.0026455 k( 89) = ( 0.2371795 0.4108069 -0.0000000), wk = 0.0026455 k( 90) = ( 0.2307692 0.3997040 -0.0000000), wk = 0.0026455 k( 91) = ( 0.2243590 0.3886011 -0.0000000), wk = 0.0026455 k( 92) = ( 0.2179487 0.3774983 -0.0000000), wk = 0.0026455 k( 93) = ( 0.2115385 0.3663954 -0.0000000), wk = 0.0026455 k( 94) = ( 0.2051282 0.3552925 -0.0000000), wk = 0.0026455 k( 95) = ( 0.1987180 0.3441896 -0.0000000), wk = 0.0026455 k( 96) = ( 0.1923077 0.3330867 -0.0000000), wk = 0.0026455 k( 97) = ( 0.1858974 0.3219838 -0.0000000), wk = 0.0026455 k( 98) = ( 0.1794872 0.3108809 -0.0000000), wk = 0.0026455 k( 99) = ( 0.1730769 0.2997780 -0.0000000), wk = 0.0026455 k( 100) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0026455 k( 101) = ( 0.1602564 0.2775722 -0.0000000), wk = 0.0026455 k( 102) = ( 0.1538461 0.2664693 -0.0000000), wk = 0.0026455 k( 103) = ( 0.1474359 0.2553665 -0.0000000), wk = 0.0026455 k( 104) = ( 0.1410256 0.2442636 -0.0000000), wk = 0.0026455 k( 105) = ( 0.1346154 0.2331607 -0.0000000), wk = 0.0026455 k( 106) = ( 0.1282051 0.2220578 -0.0000000), wk = 0.0026455 k( 107) = ( 0.1217949 0.2109549 -0.0000000), wk = 0.0026455 k( 108) = ( 0.1153846 0.1998520 -0.0000000), wk = 0.0026455 k( 109) = ( 0.1089744 0.1887491 -0.0000000), wk = 0.0026455 k( 110) = ( 0.1025641 0.1776462 -0.0000000), wk = 0.0026455 k( 111) = ( 0.0961538 0.1665434 -0.0000000), wk = 0.0026455 k( 112) = ( 0.0897436 0.1554405 -0.0000000), wk = 0.0026455 k( 113) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0026455 k( 114) = ( 0.0769231 0.1332347 -0.0000000), wk = 0.0026455 k( 115) = ( 0.0705128 0.1221318 -0.0000000), wk = 0.0026455 k( 116) = ( 0.0641026 0.1110289 -0.0000000), wk = 0.0026455 k( 117) = ( 0.0576923 0.0999260 -0.0000000), wk = 0.0026455 k( 118) = ( 0.0512821 0.0888231 -0.0000000), wk = 0.0026455 k( 119) = ( 0.0448718 0.0777202 -0.0000000), wk = 0.0026455 k( 120) = ( 0.0384615 0.0666173 -0.0000000), wk = 0.0026455 k( 121) = ( 0.0320513 0.0555144 -0.0000000), wk = 0.0026455 k( 122) = ( 0.0256410 0.0444116 -0.0000000), wk = 0.0026455 k( 123) = ( 0.0192308 0.0333087 -0.0000000), wk = 0.0026455 k( 124) = ( 0.0128205 0.0222058 -0.0000000), wk = 0.0026455 k( 125) = ( 0.0064103 0.0111029 -0.0000000), wk = 0.0026455 k( 126) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026455 k( 127) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026455 k( 128) = ( 0.0000000 0.0000000 0.0129271), wk = 0.0026455 k( 129) = ( 0.0000000 0.0000000 0.0258543), wk = 0.0026455 k( 130) = ( 0.0000000 0.0000000 0.0387814), wk = 0.0026455 k( 131) = ( 0.0000000 0.0000000 0.0517086), wk = 0.0026455 k( 132) = ( 0.0000000 0.0000000 0.0646357), wk = 0.0026455 k( 133) = ( 0.0000000 0.0000000 0.0775629), wk = 0.0026455 k( 134) = ( 0.0000000 0.0000000 0.0904900), wk = 0.0026455 k( 135) = ( 0.0000000 0.0000000 0.1034172), wk = 0.0026455 k( 136) = ( 0.0000000 0.0000000 0.1163443), wk = 0.0026455 k( 137) = ( 0.0000000 0.0000000 0.1292714), wk = 0.0026455 k( 138) = ( 0.0000000 0.0000000 0.1421986), wk = 0.0026455 k( 139) = ( 0.0000000 0.0000000 0.1551257), wk = 0.0026455 k( 140) = ( 0.0000000 0.0000000 0.1680529), wk = 0.0026455 k( 141) = ( 0.0000000 0.0000000 0.1809800), wk = 0.0026455 k( 142) = ( 0.0000000 0.0000000 0.1939072), wk = 0.0026455 k( 143) = ( 0.0000000 0.0000000 0.2068343), wk = 0.0026455 k( 144) = ( 0.0000000 0.0000000 0.2197615), wk = 0.0026455 k( 145) = ( 0.0000000 0.0000000 0.2326886), wk = 0.0026455 k( 146) = ( 0.0000000 0.0000000 0.2456158), wk = 0.0026455 k( 147) = ( 0.0000000 0.0000000 0.2585429), wk = 0.0026455 k( 148) = ( 0.0000000 0.0000000 0.2714700), wk = 0.0026455 k( 149) = ( 0.0000000 0.0000000 0.2843972), wk = 0.0026455 k( 150) = ( 0.0000000 0.0000000 0.2973243), wk = 0.0026455 k( 151) = ( 0.0000000 0.0000000 0.3102515), wk = 0.0026455 k( 152) = ( 0.0000000 0.0000000 0.3231786), wk = 0.0026455 k( 153) = ( 0.0000000 0.0000000 0.3361058), wk = 0.0026455 k( 154) = ( 0.0000000 0.0000000 0.3490329), wk = 0.0026455 k( 155) = ( 0.0000000 0.0000000 0.3619600), wk = 0.0026455 k( 156) = ( 0.0000000 0.0000000 0.3748872), wk = 0.0026455 k( 157) = ( 0.0000000 0.0000000 0.3878143), wk = 0.0026455 k( 158) = ( 0.0000000 0.0000000 0.4007415), wk = 0.0026455 k( 159) = ( 0.0000000 0.0000000 0.4136686), wk = 0.0026455 k( 160) = ( 0.0000000 0.0000000 0.4265958), wk = 0.0026455 k( 161) = ( 0.0000000 0.0000000 0.4395229), wk = 0.0026455 k( 162) = ( 0.0000000 0.0000000 0.4524501), wk = 0.0026455 k( 163) = ( 0.0000000 0.0000000 0.4653772), wk = 0.0026455 k( 164) = ( 0.0000000 0.0000000 0.4783044), wk = 0.0026455 k( 165) = ( 0.0000000 0.0000000 0.4912315), wk = 0.0026455 k( 166) = ( 0.0000000 0.0000000 0.5041587), wk = 0.0026455 k( 167) = ( 0.0000000 0.0000000 0.5170858), wk = 0.0026455 k( 168) = ( 0.0000000 0.0000000 0.5300129), wk = 0.0026455 k( 169) = ( 0.0000000 0.0000000 0.5300129), wk = 0.0026455 k( 170) = ( 0.0111111 0.0064150 0.5300129), wk = 0.0026455 k( 171) = ( 0.0222222 0.0128300 0.5300129), wk = 0.0026455 k( 172) = ( 0.0333333 0.0192450 0.5300129), wk = 0.0026455 k( 173) = ( 0.0444444 0.0256600 0.5300129), wk = 0.0026455 k( 174) = ( 0.0555556 0.0320750 0.5300129), wk = 0.0026455 k( 175) = ( 0.0666667 0.0384900 0.5300129), wk = 0.0026455 k( 176) = ( 0.0777778 0.0449050 0.5300129), wk = 0.0026455 k( 177) = ( 0.0888889 0.0513200 0.5300129), wk = 0.0026455 k( 178) = ( 0.1000000 0.0577350 0.5300129), wk = 0.0026455 k( 179) = ( 0.1111111 0.0641500 0.5300129), wk = 0.0026455 k( 180) = ( 0.1222222 0.0705650 0.5300129), wk = 0.0026455 k( 181) = ( 0.1333333 0.0769800 0.5300129), wk = 0.0026455 k( 182) = ( 0.1444444 0.0833950 0.5300129), wk = 0.0026455 k( 183) = ( 0.1555556 0.0898100 0.5300129), wk = 0.0026455 k( 184) = ( 0.1666667 0.0962250 0.5300129), wk = 0.0026455 k( 185) = ( 0.1777778 0.1026400 0.5300129), wk = 0.0026455 k( 186) = ( 0.1888889 0.1090551 0.5300129), wk = 0.0026455 k( 187) = ( 0.2000000 0.1154701 0.5300129), wk = 0.0026455 k( 188) = ( 0.2111111 0.1218851 0.5300129), wk = 0.0026455 k( 189) = ( 0.2222222 0.1283001 0.5300129), wk = 0.0026455 k( 190) = ( 0.2333333 0.1347151 0.5300129), wk = 0.0026455 k( 191) = ( 0.2444444 0.1411301 0.5300129), wk = 0.0026455 k( 192) = ( 0.2555556 0.1475451 0.5300129), wk = 0.0026455 k( 193) = ( 0.2666667 0.1539601 0.5300129), wk = 0.0026455 k( 194) = ( 0.2777778 0.1603751 0.5300129), wk = 0.0026455 k( 195) = ( 0.2888889 0.1667901 0.5300129), wk = 0.0026455 k( 196) = ( 0.3000000 0.1732051 0.5300129), wk = 0.0026455 k( 197) = ( 0.3111111 0.1796201 0.5300129), wk = 0.0026455 k( 198) = ( 0.3222222 0.1860351 0.5300129), wk = 0.0026455 k( 199) = ( 0.3333333 0.1924501 0.5300129), wk = 0.0026455 k( 200) = ( 0.3444444 0.1988651 0.5300129), wk = 0.0026455 k( 201) = ( 0.3555556 0.2052801 0.5300129), wk = 0.0026455 k( 202) = ( 0.3666667 0.2116951 0.5300129), wk = 0.0026455 k( 203) = ( 0.3777778 0.2181101 0.5300129), wk = 0.0026455 k( 204) = ( 0.3888889 0.2245251 0.5300129), wk = 0.0026455 k( 205) = ( 0.4000000 0.2309401 0.5300129), wk = 0.0026455 k( 206) = ( 0.4111111 0.2373551 0.5300129), wk = 0.0026455 k( 207) = ( 0.4222222 0.2437701 0.5300129), wk = 0.0026455 k( 208) = ( 0.4333333 0.2501851 0.5300129), wk = 0.0026455 k( 209) = ( 0.4444444 0.2566001 0.5300129), wk = 0.0026455 k( 210) = ( 0.4555556 0.2630151 0.5300129), wk = 0.0026455 k( 211) = ( 0.4666667 0.2694301 0.5300129), wk = 0.0026455 k( 212) = ( 0.4777778 0.2758451 0.5300129), wk = 0.0026455 k( 213) = ( 0.4888889 0.2822601 0.5300129), wk = 0.0026455 k( 214) = ( 0.5000000 0.2886751 0.5300129), wk = 0.0026455 k( 215) = ( 0.5000000 0.2886751 0.5300129), wk = 0.0026455 k( 216) = ( 0.4935897 0.2997780 0.5300129), wk = 0.0026455 k( 217) = ( 0.4871795 0.3108809 0.5300129), wk = 0.0026455 k( 218) = ( 0.4807692 0.3219838 0.5300129), wk = 0.0026455 k( 219) = ( 0.4743590 0.3330867 0.5300129), wk = 0.0026455 k( 220) = ( 0.4679487 0.3441896 0.5300129), wk = 0.0026455 k( 221) = ( 0.4615385 0.3552925 0.5300129), wk = 0.0026455 k( 222) = ( 0.4551282 0.3663954 0.5300129), wk = 0.0026455 k( 223) = ( 0.4487179 0.3774983 0.5300129), wk = 0.0026455 k( 224) = ( 0.4423077 0.3886011 0.5300129), wk = 0.0026455 k( 225) = ( 0.4358974 0.3997040 0.5300129), wk = 0.0026455 k( 226) = ( 0.4294872 0.4108069 0.5300129), wk = 0.0026455 k( 227) = ( 0.4230769 0.4219098 0.5300129), wk = 0.0026455 k( 228) = ( 0.4166667 0.4330127 0.5300129), wk = 0.0026455 k( 229) = ( 0.4102564 0.4441156 0.5300129), wk = 0.0026455 k( 230) = ( 0.4038462 0.4552185 0.5300129), wk = 0.0026455 k( 231) = ( 0.3974359 0.4663214 0.5300129), wk = 0.0026455 k( 232) = ( 0.3910256 0.4774243 0.5300129), wk = 0.0026455 k( 233) = ( 0.3846154 0.4885271 0.5300129), wk = 0.0026455 k( 234) = ( 0.3782051 0.4996300 0.5300129), wk = 0.0026455 k( 235) = ( 0.3717949 0.5107329 0.5300129), wk = 0.0026455 k( 236) = ( 0.3653846 0.5218358 0.5300129), wk = 0.0026455 k( 237) = ( 0.3589744 0.5329387 0.5300129), wk = 0.0026455 k( 238) = ( 0.3525641 0.5440416 0.5300129), wk = 0.0026455 k( 239) = ( 0.3461538 0.5551445 0.5300129), wk = 0.0026455 k( 240) = ( 0.3397436 0.5662474 0.5300129), wk = 0.0026455 k( 241) = ( 0.3333333 0.5773503 0.5300129), wk = 0.0026455 k( 242) = ( 0.3333333 0.5773503 0.5300129), wk = 0.0026455 k( 243) = ( 0.3269231 0.5662474 0.5300129), wk = 0.0026455 k( 244) = ( 0.3205128 0.5551445 0.5300129), wk = 0.0026455 k( 245) = ( 0.3141026 0.5440416 0.5300129), wk = 0.0026455 k( 246) = ( 0.3076923 0.5329387 0.5300129), wk = 0.0026455 k( 247) = ( 0.3012821 0.5218358 0.5300129), wk = 0.0026455 k( 248) = ( 0.2948718 0.5107329 0.5300129), wk = 0.0026455 k( 249) = ( 0.2884615 0.4996300 0.5300129), wk = 0.0026455 k( 250) = ( 0.2820513 0.4885271 0.5300129), wk = 0.0026455 k( 251) = ( 0.2756410 0.4774243 0.5300129), wk = 0.0026455 k( 252) = ( 0.2692308 0.4663214 0.5300129), wk = 0.0026455 k( 253) = ( 0.2628205 0.4552185 0.5300129), wk = 0.0026455 k( 254) = ( 0.2564103 0.4441156 0.5300129), wk = 0.0026455 k( 255) = ( 0.2500000 0.4330127 0.5300129), wk = 0.0026455 k( 256) = ( 0.2435897 0.4219098 0.5300129), wk = 0.0026455 k( 257) = ( 0.2371795 0.4108069 0.5300129), wk = 0.0026455 k( 258) = ( 0.2307692 0.3997040 0.5300129), wk = 0.0026455 k( 259) = ( 0.2243590 0.3886011 0.5300129), wk = 0.0026455 k( 260) = ( 0.2179487 0.3774983 0.5300129), wk = 0.0026455 k( 261) = ( 0.2115385 0.3663954 0.5300129), wk = 0.0026455 k( 262) = ( 0.2051282 0.3552925 0.5300129), wk = 0.0026455 k( 263) = ( 0.1987180 0.3441896 0.5300129), wk = 0.0026455 k( 264) = ( 0.1923077 0.3330867 0.5300129), wk = 0.0026455 k( 265) = ( 0.1858974 0.3219838 0.5300129), wk = 0.0026455 k( 266) = ( 0.1794872 0.3108809 0.5300129), wk = 0.0026455 k( 267) = ( 0.1730769 0.2997780 0.5300129), wk = 0.0026455 k( 268) = ( 0.1666667 0.2886751 0.5300129), wk = 0.0026455 k( 269) = ( 0.1602564 0.2775722 0.5300129), wk = 0.0026455 k( 270) = ( 0.1538461 0.2664693 0.5300129), wk = 0.0026455 k( 271) = ( 0.1474359 0.2553665 0.5300129), wk = 0.0026455 k( 272) = ( 0.1410256 0.2442636 0.5300129), wk = 0.0026455 k( 273) = ( 0.1346154 0.2331607 0.5300129), wk = 0.0026455 k( 274) = ( 0.1282051 0.2220578 0.5300129), wk = 0.0026455 k( 275) = ( 0.1217949 0.2109549 0.5300129), wk = 0.0026455 k( 276) = ( 0.1153846 0.1998520 0.5300129), wk = 0.0026455 k( 277) = ( 0.1089744 0.1887491 0.5300129), wk = 0.0026455 k( 278) = ( 0.1025641 0.1776462 0.5300129), wk = 0.0026455 k( 279) = ( 0.0961538 0.1665434 0.5300129), wk = 0.0026455 k( 280) = ( 0.0897436 0.1554405 0.5300129), wk = 0.0026455 k( 281) = ( 0.0833333 0.1443376 0.5300129), wk = 0.0026455 k( 282) = ( 0.0769231 0.1332347 0.5300129), wk = 0.0026455 k( 283) = ( 0.0705128 0.1221318 0.5300129), wk = 0.0026455 k( 284) = ( 0.0641026 0.1110289 0.5300129), wk = 0.0026455 k( 285) = ( 0.0576923 0.0999260 0.5300129), wk = 0.0026455 k( 286) = ( 0.0512821 0.0888231 0.5300129), wk = 0.0026455 k( 287) = ( 0.0448718 0.0777202 0.5300129), wk = 0.0026455 k( 288) = ( 0.0384615 0.0666173 0.5300129), wk = 0.0026455 k( 289) = ( 0.0320513 0.0555144 0.5300129), wk = 0.0026455 k( 290) = ( 0.0256410 0.0444116 0.5300129), wk = 0.0026455 k( 291) = ( 0.0192308 0.0333087 0.5300129), wk = 0.0026455 k( 292) = ( 0.0128205 0.0222058 0.5300129), wk = 0.0026455 k( 293) = ( 0.0064103 0.0111029 0.5300129), wk = 0.0026455 k( 294) = ( 0.0000000 0.0000000 0.5300129), wk = 0.0026455 k( 295) = ( 0.5000000 0.2886751 0.5300129), wk = 0.0026455 k( 296) = ( 0.5000000 0.2886751 0.5170858), wk = 0.0026455 k( 297) = ( 0.5000000 0.2886751 0.5041587), wk = 0.0026455 k( 298) = ( 0.5000000 0.2886751 0.4912315), wk = 0.0026455 k( 299) = ( 0.5000000 0.2886751 0.4783044), wk = 0.0026455 k( 300) = ( 0.5000000 0.2886751 0.4653772), wk = 0.0026455 k( 301) = ( 0.5000000 0.2886751 0.4524501), wk = 0.0026455 k( 302) = ( 0.5000000 0.2886751 0.4395229), wk = 0.0026455 k( 303) = ( 0.5000000 0.2886751 0.4265958), wk = 0.0026455 k( 304) = ( 0.5000000 0.2886751 0.4136686), wk = 0.0026455 k( 305) = ( 0.5000000 0.2886751 0.4007415), wk = 0.0026455 k( 306) = ( 0.5000000 0.2886751 0.3878143), wk = 0.0026455 k( 307) = ( 0.5000000 0.2886751 0.3748872), wk = 0.0026455 k( 308) = ( 0.5000000 0.2886751 0.3619600), wk = 0.0026455 k( 309) = ( 0.5000000 0.2886751 0.3490329), wk = 0.0026455 k( 310) = ( 0.5000000 0.2886751 0.3361058), wk = 0.0026455 k( 311) = ( 0.5000000 0.2886751 0.3231786), wk = 0.0026455 k( 312) = ( 0.5000000 0.2886751 0.3102515), wk = 0.0026455 k( 313) = ( 0.5000000 0.2886751 0.2973243), wk = 0.0026455 k( 314) = ( 0.5000000 0.2886751 0.2843972), wk = 0.0026455 k( 315) = ( 0.5000000 0.2886751 0.2714700), wk = 0.0026455 k( 316) = ( 0.5000000 0.2886751 0.2585429), wk = 0.0026455 k( 317) = ( 0.5000000 0.2886751 0.2456158), wk = 0.0026455 k( 318) = ( 0.5000000 0.2886751 0.2326886), wk = 0.0026455 k( 319) = ( 0.5000000 0.2886751 0.2197615), wk = 0.0026455 k( 320) = ( 0.5000000 0.2886751 0.2068343), wk = 0.0026455 k( 321) = ( 0.5000000 0.2886751 0.1939072), wk = 0.0026455 k( 322) = ( 0.5000000 0.2886751 0.1809800), wk = 0.0026455 k( 323) = ( 0.5000000 0.2886751 0.1680529), wk = 0.0026455 k( 324) = ( 0.5000000 0.2886751 0.1551257), wk = 0.0026455 k( 325) = ( 0.5000000 0.2886751 0.1421986), wk = 0.0026455 k( 326) = ( 0.5000000 0.2886751 0.1292714), wk = 0.0026455 k( 327) = ( 0.5000000 0.2886751 0.1163443), wk = 0.0026455 k( 328) = ( 0.5000000 0.2886751 0.1034172), wk = 0.0026455 k( 329) = ( 0.5000000 0.2886751 0.0904900), wk = 0.0026455 k( 330) = ( 0.5000000 0.2886751 0.0775629), wk = 0.0026455 k( 331) = ( 0.5000000 0.2886751 0.0646357), wk = 0.0026455 k( 332) = ( 0.5000000 0.2886751 0.0517086), wk = 0.0026455 k( 333) = ( 0.5000000 0.2886751 0.0387814), wk = 0.0026455 k( 334) = ( 0.5000000 0.2886751 0.0258543), wk = 0.0026455 k( 335) = ( 0.5000000 0.2886751 0.0129271), wk = 0.0026455 k( 336) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0026455 k( 337) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0026455 k( 338) = ( 0.3333333 0.5773503 0.0129271), wk = 0.0026455 k( 339) = ( 0.3333333 0.5773503 0.0258543), wk = 0.0026455 k( 340) = ( 0.3333333 0.5773503 0.0387814), wk = 0.0026455 k( 341) = ( 0.3333333 0.5773503 0.0517086), wk = 0.0026455 k( 342) = ( 0.3333333 0.5773503 0.0646357), wk = 0.0026455 k( 343) = ( 0.3333333 0.5773503 0.0775629), wk = 0.0026455 k( 344) = ( 0.3333333 0.5773503 0.0904900), wk = 0.0026455 k( 345) = ( 0.3333333 0.5773503 0.1034172), wk = 0.0026455 k( 346) = ( 0.3333333 0.5773503 0.1163443), wk = 0.0026455 k( 347) = ( 0.3333333 0.5773503 0.1292714), wk = 0.0026455 k( 348) = ( 0.3333333 0.5773503 0.1421986), wk = 0.0026455 k( 349) = ( 0.3333333 0.5773503 0.1551257), wk = 0.0026455 k( 350) = ( 0.3333333 0.5773503 0.1680529), wk = 0.0026455 k( 351) = ( 0.3333333 0.5773503 0.1809800), wk = 0.0026455 k( 352) = ( 0.3333333 0.5773503 0.1939072), wk = 0.0026455 k( 353) = ( 0.3333333 0.5773503 0.2068343), wk = 0.0026455 k( 354) = ( 0.3333333 0.5773503 0.2197615), wk = 0.0026455 k( 355) = ( 0.3333333 0.5773503 0.2326886), wk = 0.0026455 k( 356) = ( 0.3333333 0.5773503 0.2456158), wk = 0.0026455 k( 357) = ( 0.3333333 0.5773503 0.2585429), wk = 0.0026455 k( 358) = ( 0.3333333 0.5773503 0.2714700), wk = 0.0026455 k( 359) = ( 0.3333333 0.5773503 0.2843972), wk = 0.0026455 k( 360) = ( 0.3333333 0.5773503 0.2973243), wk = 0.0026455 k( 361) = ( 0.3333333 0.5773503 0.3102515), wk = 0.0026455 k( 362) = ( 0.3333333 0.5773503 0.3231786), wk = 0.0026455 k( 363) = ( 0.3333333 0.5773503 0.3361058), wk = 0.0026455 k( 364) = ( 0.3333333 0.5773503 0.3490329), wk = 0.0026455 k( 365) = ( 0.3333333 0.5773503 0.3619600), wk = 0.0026455 k( 366) = ( 0.3333333 0.5773503 0.3748872), wk = 0.0026455 k( 367) = ( 0.3333333 0.5773503 0.3878143), wk = 0.0026455 k( 368) = ( 0.3333333 0.5773503 0.4007415), wk = 0.0026455 k( 369) = ( 0.3333333 0.5773503 0.4136686), wk = 0.0026455 k( 370) = ( 0.3333333 0.5773503 0.4265958), wk = 0.0026455 k( 371) = ( 0.3333333 0.5773503 0.4395229), wk = 0.0026455 k( 372) = ( 0.3333333 0.5773503 0.4524501), wk = 0.0026455 k( 373) = ( 0.3333333 0.5773503 0.4653772), wk = 0.0026455 k( 374) = ( 0.3333333 0.5773503 0.4783044), wk = 0.0026455 k( 375) = ( 0.3333333 0.5773503 0.4912315), wk = 0.0026455 k( 376) = ( 0.3333333 0.5773503 0.5041587), wk = 0.0026455 k( 377) = ( 0.3333333 0.5773503 0.5170858), wk = 0.0026455 k( 378) = ( 0.3333333 0.5773503 0.5300129), wk = 0.0026455 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026455 k( 2) = ( 0.0111111 0.0000000 0.0000000), wk = 0.0026455 k( 3) = ( 0.0222222 0.0000000 0.0000000), wk = 0.0026455 k( 4) = ( 0.0333333 0.0000000 0.0000000), wk = 0.0026455 k( 5) = ( 0.0444444 0.0000000 0.0000000), wk = 0.0026455 k( 6) = ( 0.0555556 0.0000000 0.0000000), wk = 0.0026455 k( 7) = ( 0.0666667 0.0000000 0.0000000), wk = 0.0026455 k( 8) = ( 0.0777778 0.0000000 -0.0000000), wk = 0.0026455 k( 9) = ( 0.0888889 0.0000000 0.0000000), wk = 0.0026455 k( 10) = ( 0.1000000 0.0000000 -0.0000000), wk = 0.0026455 k( 11) = ( 0.1111111 0.0000000 -0.0000000), wk = 0.0026455 k( 12) = ( 0.1222222 0.0000000 -0.0000000), wk = 0.0026455 k( 13) = ( 0.1333333 0.0000000 -0.0000000), wk = 0.0026455 k( 14) = ( 0.1444444 0.0000000 0.0000000), wk = 0.0026455 k( 15) = ( 0.1555556 0.0000000 -0.0000000), wk = 0.0026455 k( 16) = ( 0.1666667 0.0000000 0.0000000), wk = 0.0026455 k( 17) = ( 0.1777778 0.0000000 0.0000000), wk = 0.0026455 k( 18) = ( 0.1888889 0.0000000 0.0000000), wk = 0.0026455 k( 19) = ( 0.2000000 0.0000000 -0.0000000), wk = 0.0026455 k( 20) = ( 0.2111111 0.0000000 0.0000000), wk = 0.0026455 k( 21) = ( 0.2222222 0.0000000 -0.0000000), wk = 0.0026455 k( 22) = ( 0.2333333 0.0000000 0.0000000), wk = 0.0026455 k( 23) = ( 0.2444444 0.0000000 -0.0000000), wk = 0.0026455 k( 24) = ( 0.2555556 0.0000000 0.0000000), wk = 0.0026455 k( 25) = ( 0.2666667 0.0000000 -0.0000000), wk = 0.0026455 k( 26) = ( 0.2777778 0.0000000 -0.0000000), wk = 0.0026455 k( 27) = ( 0.2888889 0.0000000 -0.0000000), wk = 0.0026455 k( 28) = ( 0.3000000 0.0000000 -0.0000000), wk = 0.0026455 k( 29) = ( 0.3111111 0.0000000 -0.0000000), wk = 0.0026455 k( 30) = ( 0.3222222 0.0000000 0.0000000), wk = 0.0026455 k( 31) = ( 0.3333333 0.0000000 -0.0000000), wk = 0.0026455 k( 32) = ( 0.3444444 0.0000000 0.0000000), wk = 0.0026455 k( 33) = ( 0.3555556 0.0000000 0.0000000), wk = 0.0026455 k( 34) = ( 0.3666667 0.0000000 0.0000000), wk = 0.0026455 k( 35) = ( 0.3777778 0.0000000 0.0000000), wk = 0.0026455 k( 36) = ( 0.3888889 0.0000000 0.0000000), wk = 0.0026455 k( 37) = ( 0.4000000 0.0000000 -0.0000000), wk = 0.0026455 k( 38) = ( 0.4111111 0.0000000 0.0000000), wk = 0.0026455 k( 39) = ( 0.4222222 0.0000000 0.0000000), wk = 0.0026455 k( 40) = ( 0.4333333 0.0000000 0.0000000), wk = 0.0026455 k( 41) = ( 0.4444444 0.0000000 -0.0000000), wk = 0.0026455 k( 42) = ( 0.4555556 0.0000000 0.0000000), wk = 0.0026455 k( 43) = ( 0.4666667 0.0000000 0.0000000), wk = 0.0026455 k( 44) = ( 0.4777778 0.0000000 0.0000000), wk = 0.0026455 k( 45) = ( 0.4888889 0.0000000 0.0000000), wk = 0.0026455 k( 46) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0026455 k( 47) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0026455 k( 48) = ( 0.4935897 0.0128205 -0.0000000), wk = 0.0026455 k( 49) = ( 0.4871795 0.0256410 -0.0000000), wk = 0.0026455 k( 50) = ( 0.4807692 0.0384615 0.0000000), wk = 0.0026455 k( 51) = ( 0.4743590 0.0512821 -0.0000000), wk = 0.0026455 k( 52) = ( 0.4679487 0.0641026 0.0000000), wk = 0.0026455 k( 53) = ( 0.4615385 0.0769231 -0.0000000), wk = 0.0026455 k( 54) = ( 0.4551282 0.0897436 0.0000000), wk = 0.0026455 k( 55) = ( 0.4487179 0.1025641 0.0000000), wk = 0.0026455 k( 56) = ( 0.4423077 0.1153846 0.0000000), wk = 0.0026455 k( 57) = ( 0.4358974 0.1282051 0.0000000), wk = 0.0026455 k( 58) = ( 0.4294872 0.1410256 -0.0000000), wk = 0.0026455 k( 59) = ( 0.4230769 0.1538462 -0.0000000), wk = 0.0026455 k( 60) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0026455 k( 61) = ( 0.4102564 0.1794872 0.0000000), wk = 0.0026455 k( 62) = ( 0.4038462 0.1923077 0.0000000), wk = 0.0026455 k( 63) = ( 0.3974359 0.2051282 -0.0000000), wk = 0.0026455 k( 64) = ( 0.3910256 0.2179487 0.0000000), wk = 0.0026455 k( 65) = ( 0.3846154 0.2307692 0.0000000), wk = 0.0026455 k( 66) = ( 0.3782051 0.2435897 -0.0000000), wk = 0.0026455 k( 67) = ( 0.3717949 0.2564103 0.0000000), wk = 0.0026455 k( 68) = ( 0.3653846 0.2692308 0.0000000), wk = 0.0026455 k( 69) = ( 0.3589744 0.2820513 0.0000000), wk = 0.0026455 k( 70) = ( 0.3525641 0.2948718 -0.0000000), wk = 0.0026455 k( 71) = ( 0.3461538 0.3076923 -0.0000000), wk = 0.0026455 k( 72) = ( 0.3397436 0.3205128 -0.0000000), wk = 0.0026455 k( 73) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0026455 k( 74) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0026455 k( 75) = ( 0.3269231 0.3269231 0.0000000), wk = 0.0026455 k( 76) = ( 0.3205128 0.3205128 -0.0000000), wk = 0.0026455 k( 77) = ( 0.3141026 0.3141026 0.0000000), wk = 0.0026455 k( 78) = ( 0.3076923 0.3076923 0.0000000), wk = 0.0026455 k( 79) = ( 0.3012821 0.3012821 0.0000000), wk = 0.0026455 k( 80) = ( 0.2948718 0.2948718 0.0000000), wk = 0.0026455 k( 81) = ( 0.2884615 0.2884615 -0.0000000), wk = 0.0026455 k( 82) = ( 0.2820513 0.2820513 0.0000000), wk = 0.0026455 k( 83) = ( 0.2756410 0.2756410 -0.0000000), wk = 0.0026455 k( 84) = ( 0.2692308 0.2692308 0.0000000), wk = 0.0026455 k( 85) = ( 0.2628205 0.2628205 0.0000000), wk = 0.0026455 k( 86) = ( 0.2564103 0.2564103 -0.0000000), wk = 0.0026455 k( 87) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0026455 k( 88) = ( 0.2435897 0.2435897 -0.0000000), wk = 0.0026455 k( 89) = ( 0.2371795 0.2371795 -0.0000000), wk = 0.0026455 k( 90) = ( 0.2307692 0.2307692 -0.0000000), wk = 0.0026455 k( 91) = ( 0.2243590 0.2243590 -0.0000000), wk = 0.0026455 k( 92) = ( 0.2179487 0.2179487 0.0000000), wk = 0.0026455 k( 93) = ( 0.2115385 0.2115385 -0.0000000), wk = 0.0026455 k( 94) = ( 0.2051282 0.2051282 0.0000000), wk = 0.0026455 k( 95) = ( 0.1987180 0.1987180 0.0000000), wk = 0.0026455 k( 96) = ( 0.1923077 0.1923077 -0.0000000), wk = 0.0026455 k( 97) = ( 0.1858974 0.1858974 0.0000000), wk = 0.0026455 k( 98) = ( 0.1794872 0.1794872 -0.0000000), wk = 0.0026455 k( 99) = ( 0.1730769 0.1730769 -0.0000000), wk = 0.0026455 k( 100) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0026455 k( 101) = ( 0.1602564 0.1602564 -0.0000000), wk = 0.0026455 k( 102) = ( 0.1538461 0.1538462 0.0000000), wk = 0.0026455 k( 103) = ( 0.1474359 0.1474359 -0.0000000), wk = 0.0026455 k( 104) = ( 0.1410256 0.1410256 0.0000000), wk = 0.0026455 k( 105) = ( 0.1346154 0.1346154 -0.0000000), wk = 0.0026455 k( 106) = ( 0.1282051 0.1282051 -0.0000000), wk = 0.0026455 k( 107) = ( 0.1217949 0.1217949 -0.0000000), wk = 0.0026455 k( 108) = ( 0.1153846 0.1153846 0.0000000), wk = 0.0026455 k( 109) = ( 0.1089744 0.1089744 0.0000000), wk = 0.0026455 k( 110) = ( 0.1025641 0.1025641 -0.0000000), wk = 0.0026455 k( 111) = ( 0.0961538 0.0961538 -0.0000000), wk = 0.0026455 k( 112) = ( 0.0897436 0.0897436 -0.0000000), wk = 0.0026455 k( 113) = ( 0.0833333 0.0833333 0.0000000), wk = 0.0026455 k( 114) = ( 0.0769231 0.0769231 -0.0000000), wk = 0.0026455 k( 115) = ( 0.0705128 0.0705128 0.0000000), wk = 0.0026455 k( 116) = ( 0.0641026 0.0641026 -0.0000000), wk = 0.0026455 k( 117) = ( 0.0576923 0.0576923 0.0000000), wk = 0.0026455 k( 118) = ( 0.0512821 0.0512820 -0.0000000), wk = 0.0026455 k( 119) = ( 0.0448718 0.0448718 -0.0000000), wk = 0.0026455 k( 120) = ( 0.0384615 0.0384615 -0.0000000), wk = 0.0026455 k( 121) = ( 0.0320513 0.0320513 -0.0000000), wk = 0.0026455 k( 122) = ( 0.0256410 0.0256410 -0.0000000), wk = 0.0026455 k( 123) = ( 0.0192308 0.0192308 -0.0000000), wk = 0.0026455 k( 124) = ( 0.0128205 0.0128205 0.0000000), wk = 0.0026455 k( 125) = ( 0.0064103 0.0064103 -0.0000000), wk = 0.0026455 k( 126) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026455 k( 127) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026455 k( 128) = ( 0.0000000 0.0000000 0.0121951), wk = 0.0026455 k( 129) = ( 0.0000000 0.0000000 0.0243902), wk = 0.0026455 k( 130) = ( 0.0000000 0.0000000 0.0365854), wk = 0.0026455 k( 131) = ( 0.0000000 0.0000000 0.0487805), wk = 0.0026455 k( 132) = ( 0.0000000 0.0000000 0.0609756), wk = 0.0026455 k( 133) = ( 0.0000000 0.0000000 0.0731707), wk = 0.0026455 k( 134) = ( 0.0000000 0.0000000 0.0853658), wk = 0.0026455 k( 135) = ( 0.0000000 0.0000000 0.0975610), wk = 0.0026455 k( 136) = ( 0.0000000 0.0000000 0.1097561), wk = 0.0026455 k( 137) = ( 0.0000000 0.0000000 0.1219512), wk = 0.0026455 k( 138) = ( 0.0000000 0.0000000 0.1341463), wk = 0.0026455 k( 139) = ( 0.0000000 0.0000000 0.1463415), wk = 0.0026455 k( 140) = ( 0.0000000 0.0000000 0.1585366), wk = 0.0026455 k( 141) = ( 0.0000000 0.0000000 0.1707317), wk = 0.0026455 k( 142) = ( 0.0000000 0.0000000 0.1829268), wk = 0.0026455 k( 143) = ( 0.0000000 0.0000000 0.1951219), wk = 0.0026455 k( 144) = ( 0.0000000 0.0000000 0.2073171), wk = 0.0026455 k( 145) = ( 0.0000000 0.0000000 0.2195122), wk = 0.0026455 k( 146) = ( 0.0000000 0.0000000 0.2317073), wk = 0.0026455 k( 147) = ( 0.0000000 0.0000000 0.2439024), wk = 0.0026455 k( 148) = ( 0.0000000 0.0000000 0.2560976), wk = 0.0026455 k( 149) = ( 0.0000000 0.0000000 0.2682927), wk = 0.0026455 k( 150) = ( 0.0000000 0.0000000 0.2804878), wk = 0.0026455 k( 151) = ( 0.0000000 0.0000000 0.2926829), wk = 0.0026455 k( 152) = ( 0.0000000 0.0000000 0.3048781), wk = 0.0026455 k( 153) = ( 0.0000000 0.0000000 0.3170732), wk = 0.0026455 k( 154) = ( 0.0000000 0.0000000 0.3292683), wk = 0.0026455 k( 155) = ( 0.0000000 0.0000000 0.3414634), wk = 0.0026455 k( 156) = ( 0.0000000 0.0000000 0.3536585), wk = 0.0026455 k( 157) = ( 0.0000000 0.0000000 0.3658537), wk = 0.0026455 k( 158) = ( 0.0000000 0.0000000 0.3780488), wk = 0.0026455 k( 159) = ( 0.0000000 0.0000000 0.3902439), wk = 0.0026455 k( 160) = ( 0.0000000 0.0000000 0.4024390), wk = 0.0026455 k( 161) = ( 0.0000000 0.0000000 0.4146341), wk = 0.0026455 k( 162) = ( 0.0000000 0.0000000 0.4268293), wk = 0.0026455 k( 163) = ( 0.0000000 0.0000000 0.4390244), wk = 0.0026455 k( 164) = ( 0.0000000 0.0000000 0.4512195), wk = 0.0026455 k( 165) = ( 0.0000000 0.0000000 0.4634146), wk = 0.0026455 k( 166) = ( 0.0000000 0.0000000 0.4756098), wk = 0.0026455 k( 167) = ( 0.0000000 0.0000000 0.4878049), wk = 0.0026455 k( 168) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026455 k( 169) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026455 k( 170) = ( 0.0111111 0.0000000 0.5000000), wk = 0.0026455 k( 171) = ( 0.0222222 0.0000000 0.5000000), wk = 0.0026455 k( 172) = ( 0.0333333 0.0000000 0.5000000), wk = 0.0026455 k( 173) = ( 0.0444444 0.0000000 0.5000000), wk = 0.0026455 k( 174) = ( 0.0555556 0.0000000 0.5000000), wk = 0.0026455 k( 175) = ( 0.0666667 0.0000000 0.5000000), wk = 0.0026455 k( 176) = ( 0.0777778 0.0000000 0.5000000), wk = 0.0026455 k( 177) = ( 0.0888889 0.0000000 0.5000000), wk = 0.0026455 k( 178) = ( 0.1000000 0.0000000 0.5000000), wk = 0.0026455 k( 179) = ( 0.1111111 0.0000000 0.5000000), wk = 0.0026455 k( 180) = ( 0.1222222 0.0000000 0.5000000), wk = 0.0026455 k( 181) = ( 0.1333333 0.0000000 0.5000000), wk = 0.0026455 k( 182) = ( 0.1444444 0.0000000 0.5000000), wk = 0.0026455 k( 183) = ( 0.1555556 0.0000000 0.5000000), wk = 0.0026455 k( 184) = ( 0.1666667 0.0000000 0.5000000), wk = 0.0026455 k( 185) = ( 0.1777778 0.0000000 0.5000000), wk = 0.0026455 k( 186) = ( 0.1888889 0.0000000 0.5000000), wk = 0.0026455 k( 187) = ( 0.2000000 0.0000000 0.5000000), wk = 0.0026455 k( 188) = ( 0.2111111 0.0000000 0.5000000), wk = 0.0026455 k( 189) = ( 0.2222222 0.0000000 0.5000000), wk = 0.0026455 k( 190) = ( 0.2333333 0.0000000 0.5000000), wk = 0.0026455 k( 191) = ( 0.2444444 0.0000000 0.5000000), wk = 0.0026455 k( 192) = ( 0.2555556 0.0000000 0.5000000), wk = 0.0026455 k( 193) = ( 0.2666667 0.0000000 0.5000000), wk = 0.0026455 k( 194) = ( 0.2777778 0.0000000 0.5000000), wk = 0.0026455 k( 195) = ( 0.2888889 0.0000000 0.5000000), wk = 0.0026455 k( 196) = ( 0.3000000 0.0000000 0.5000000), wk = 0.0026455 k( 197) = ( 0.3111111 0.0000000 0.5000000), wk = 0.0026455 k( 198) = ( 0.3222222 0.0000000 0.5000000), wk = 0.0026455 k( 199) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0026455 k( 200) = ( 0.3444444 0.0000000 0.5000000), wk = 0.0026455 k( 201) = ( 0.3555556 0.0000000 0.5000000), wk = 0.0026455 k( 202) = ( 0.3666667 0.0000000 0.5000000), wk = 0.0026455 k( 203) = ( 0.3777778 0.0000000 0.5000000), wk = 0.0026455 k( 204) = ( 0.3888889 0.0000000 0.5000000), wk = 0.0026455 k( 205) = ( 0.4000000 0.0000000 0.5000000), wk = 0.0026455 k( 206) = ( 0.4111111 0.0000000 0.5000000), wk = 0.0026455 k( 207) = ( 0.4222222 0.0000000 0.5000000), wk = 0.0026455 k( 208) = ( 0.4333333 0.0000000 0.5000000), wk = 0.0026455 k( 209) = ( 0.4444444 0.0000000 0.5000000), wk = 0.0026455 k( 210) = ( 0.4555556 0.0000000 0.5000000), wk = 0.0026455 k( 211) = ( 0.4666667 0.0000000 0.5000000), wk = 0.0026455 k( 212) = ( 0.4777778 0.0000000 0.5000000), wk = 0.0026455 k( 213) = ( 0.4888889 0.0000000 0.5000000), wk = 0.0026455 k( 214) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0026455 k( 215) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0026455 k( 216) = ( 0.4935897 0.0128205 0.5000000), wk = 0.0026455 k( 217) = ( 0.4871795 0.0256410 0.5000000), wk = 0.0026455 k( 218) = ( 0.4807692 0.0384615 0.5000000), wk = 0.0026455 k( 219) = ( 0.4743590 0.0512821 0.5000000), wk = 0.0026455 k( 220) = ( 0.4679487 0.0641026 0.5000000), wk = 0.0026455 k( 221) = ( 0.4615385 0.0769231 0.5000000), wk = 0.0026455 k( 222) = ( 0.4551282 0.0897436 0.5000000), wk = 0.0026455 k( 223) = ( 0.4487179 0.1025641 0.5000000), wk = 0.0026455 k( 224) = ( 0.4423077 0.1153846 0.5000000), wk = 0.0026455 k( 225) = ( 0.4358974 0.1282051 0.5000000), wk = 0.0026455 k( 226) = ( 0.4294872 0.1410256 0.5000000), wk = 0.0026455 k( 227) = ( 0.4230769 0.1538462 0.5000000), wk = 0.0026455 k( 228) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0026455 k( 229) = ( 0.4102564 0.1794872 0.5000000), wk = 0.0026455 k( 230) = ( 0.4038462 0.1923077 0.5000000), wk = 0.0026455 k( 231) = ( 0.3974359 0.2051282 0.5000000), wk = 0.0026455 k( 232) = ( 0.3910256 0.2179487 0.5000000), wk = 0.0026455 k( 233) = ( 0.3846154 0.2307692 0.5000000), wk = 0.0026455 k( 234) = ( 0.3782051 0.2435897 0.5000000), wk = 0.0026455 k( 235) = ( 0.3717949 0.2564103 0.5000000), wk = 0.0026455 k( 236) = ( 0.3653846 0.2692308 0.5000000), wk = 0.0026455 k( 237) = ( 0.3589744 0.2820513 0.5000000), wk = 0.0026455 k( 238) = ( 0.3525641 0.2948718 0.5000000), wk = 0.0026455 k( 239) = ( 0.3461538 0.3076923 0.5000000), wk = 0.0026455 k( 240) = ( 0.3397436 0.3205128 0.5000000), wk = 0.0026455 k( 241) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0026455 k( 242) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0026455 k( 243) = ( 0.3269231 0.3269231 0.5000000), wk = 0.0026455 k( 244) = ( 0.3205128 0.3205128 0.5000000), wk = 0.0026455 k( 245) = ( 0.3141026 0.3141026 0.5000000), wk = 0.0026455 k( 246) = ( 0.3076923 0.3076923 0.5000000), wk = 0.0026455 k( 247) = ( 0.3012821 0.3012821 0.5000000), wk = 0.0026455 k( 248) = ( 0.2948718 0.2948718 0.5000000), wk = 0.0026455 k( 249) = ( 0.2884615 0.2884615 0.5000000), wk = 0.0026455 k( 250) = ( 0.2820513 0.2820513 0.5000000), wk = 0.0026455 k( 251) = ( 0.2756410 0.2756410 0.5000000), wk = 0.0026455 k( 252) = ( 0.2692308 0.2692308 0.5000000), wk = 0.0026455 k( 253) = ( 0.2628205 0.2628205 0.5000000), wk = 0.0026455 k( 254) = ( 0.2564103 0.2564103 0.5000000), wk = 0.0026455 k( 255) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0026455 k( 256) = ( 0.2435897 0.2435897 0.5000000), wk = 0.0026455 k( 257) = ( 0.2371795 0.2371795 0.5000000), wk = 0.0026455 k( 258) = ( 0.2307692 0.2307692 0.5000000), wk = 0.0026455 k( 259) = ( 0.2243590 0.2243590 0.5000000), wk = 0.0026455 k( 260) = ( 0.2179487 0.2179487 0.5000000), wk = 0.0026455 k( 261) = ( 0.2115385 0.2115385 0.5000000), wk = 0.0026455 k( 262) = ( 0.2051282 0.2051282 0.5000000), wk = 0.0026455 k( 263) = ( 0.1987180 0.1987180 0.5000000), wk = 0.0026455 k( 264) = ( 0.1923077 0.1923077 0.5000000), wk = 0.0026455 k( 265) = ( 0.1858974 0.1858974 0.5000000), wk = 0.0026455 k( 266) = ( 0.1794872 0.1794872 0.5000000), wk = 0.0026455 k( 267) = ( 0.1730769 0.1730769 0.5000000), wk = 0.0026455 k( 268) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0026455 k( 269) = ( 0.1602564 0.1602564 0.5000000), wk = 0.0026455 k( 270) = ( 0.1538461 0.1538462 0.5000000), wk = 0.0026455 k( 271) = ( 0.1474359 0.1474359 0.5000000), wk = 0.0026455 k( 272) = ( 0.1410256 0.1410256 0.5000000), wk = 0.0026455 k( 273) = ( 0.1346154 0.1346154 0.5000000), wk = 0.0026455 k( 274) = ( 0.1282051 0.1282051 0.5000000), wk = 0.0026455 k( 275) = ( 0.1217949 0.1217949 0.5000000), wk = 0.0026455 k( 276) = ( 0.1153846 0.1153846 0.5000000), wk = 0.0026455 k( 277) = ( 0.1089744 0.1089744 0.5000000), wk = 0.0026455 k( 278) = ( 0.1025641 0.1025641 0.5000000), wk = 0.0026455 k( 279) = ( 0.0961538 0.0961538 0.5000000), wk = 0.0026455 k( 280) = ( 0.0897436 0.0897436 0.5000000), wk = 0.0026455 k( 281) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0026455 k( 282) = ( 0.0769231 0.0769231 0.5000000), wk = 0.0026455 k( 283) = ( 0.0705128 0.0705128 0.5000000), wk = 0.0026455 k( 284) = ( 0.0641026 0.0641026 0.5000000), wk = 0.0026455 k( 285) = ( 0.0576923 0.0576923 0.5000000), wk = 0.0026455 k( 286) = ( 0.0512821 0.0512820 0.5000000), wk = 0.0026455 k( 287) = ( 0.0448718 0.0448718 0.5000000), wk = 0.0026455 k( 288) = ( 0.0384615 0.0384615 0.5000000), wk = 0.0026455 k( 289) = ( 0.0320513 0.0320513 0.5000000), wk = 0.0026455 k( 290) = ( 0.0256410 0.0256410 0.5000000), wk = 0.0026455 k( 291) = ( 0.0192308 0.0192308 0.5000000), wk = 0.0026455 k( 292) = ( 0.0128205 0.0128205 0.5000000), wk = 0.0026455 k( 293) = ( 0.0064103 0.0064103 0.5000000), wk = 0.0026455 k( 294) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026455 k( 295) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0026455 k( 296) = ( 0.5000000 0.0000000 0.4878049), wk = 0.0026455 k( 297) = ( 0.5000000 0.0000000 0.4756098), wk = 0.0026455 k( 298) = ( 0.5000000 0.0000000 0.4634146), wk = 0.0026455 k( 299) = ( 0.5000000 0.0000000 0.4512195), wk = 0.0026455 k( 300) = ( 0.5000000 0.0000000 0.4390244), wk = 0.0026455 k( 301) = ( 0.5000000 0.0000000 0.4268293), wk = 0.0026455 k( 302) = ( 0.5000000 0.0000000 0.4146341), wk = 0.0026455 k( 303) = ( 0.5000000 0.0000000 0.4024390), wk = 0.0026455 k( 304) = ( 0.5000000 0.0000000 0.3902439), wk = 0.0026455 k( 305) = ( 0.5000000 0.0000000 0.3780488), wk = 0.0026455 k( 306) = ( 0.5000000 0.0000000 0.3658537), wk = 0.0026455 k( 307) = ( 0.5000000 0.0000000 0.3536585), wk = 0.0026455 k( 308) = ( 0.5000000 0.0000000 0.3414634), wk = 0.0026455 k( 309) = ( 0.5000000 0.0000000 0.3292683), wk = 0.0026455 k( 310) = ( 0.5000000 0.0000000 0.3170732), wk = 0.0026455 k( 311) = ( 0.5000000 0.0000000 0.3048781), wk = 0.0026455 k( 312) = ( 0.5000000 0.0000000 0.2926829), wk = 0.0026455 k( 313) = ( 0.5000000 0.0000000 0.2804878), wk = 0.0026455 k( 314) = ( 0.5000000 0.0000000 0.2682927), wk = 0.0026455 k( 315) = ( 0.5000000 0.0000000 0.2560976), wk = 0.0026455 k( 316) = ( 0.5000000 0.0000000 0.2439024), wk = 0.0026455 k( 317) = ( 0.5000000 0.0000000 0.2317073), wk = 0.0026455 k( 318) = ( 0.5000000 0.0000000 0.2195122), wk = 0.0026455 k( 319) = ( 0.5000000 0.0000000 0.2073171), wk = 0.0026455 k( 320) = ( 0.5000000 0.0000000 0.1951219), wk = 0.0026455 k( 321) = ( 0.5000000 0.0000000 0.1829268), wk = 0.0026455 k( 322) = ( 0.5000000 0.0000000 0.1707317), wk = 0.0026455 k( 323) = ( 0.5000000 0.0000000 0.1585366), wk = 0.0026455 k( 324) = ( 0.5000000 0.0000000 0.1463415), wk = 0.0026455 k( 325) = ( 0.5000000 0.0000000 0.1341463), wk = 0.0026455 k( 326) = ( 0.5000000 0.0000000 0.1219512), wk = 0.0026455 k( 327) = ( 0.5000000 0.0000000 0.1097561), wk = 0.0026455 k( 328) = ( 0.5000000 0.0000000 0.0975610), wk = 0.0026455 k( 329) = ( 0.5000000 0.0000000 0.0853658), wk = 0.0026455 k( 330) = ( 0.5000000 0.0000000 0.0731707), wk = 0.0026455 k( 331) = ( 0.5000000 0.0000000 0.0609756), wk = 0.0026455 k( 332) = ( 0.5000000 0.0000000 0.0487805), wk = 0.0026455 k( 333) = ( 0.5000000 0.0000000 0.0365854), wk = 0.0026455 k( 334) = ( 0.5000000 0.0000000 0.0243902), wk = 0.0026455 k( 335) = ( 0.5000000 0.0000000 0.0121951), wk = 0.0026455 k( 336) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0026455 k( 337) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0026455 k( 338) = ( 0.3333333 0.3333333 0.0121951), wk = 0.0026455 k( 339) = ( 0.3333333 0.3333333 0.0243902), wk = 0.0026455 k( 340) = ( 0.3333333 0.3333333 0.0365854), wk = 0.0026455 k( 341) = ( 0.3333333 0.3333333 0.0487805), wk = 0.0026455 k( 342) = ( 0.3333333 0.3333333 0.0609756), wk = 0.0026455 k( 343) = ( 0.3333333 0.3333333 0.0731707), wk = 0.0026455 k( 344) = ( 0.3333333 0.3333333 0.0853658), wk = 0.0026455 k( 345) = ( 0.3333333 0.3333333 0.0975610), wk = 0.0026455 k( 346) = ( 0.3333333 0.3333333 0.1097561), wk = 0.0026455 k( 347) = ( 0.3333333 0.3333333 0.1219512), wk = 0.0026455 k( 348) = ( 0.3333333 0.3333333 0.1341463), wk = 0.0026455 k( 349) = ( 0.3333333 0.3333333 0.1463415), wk = 0.0026455 k( 350) = ( 0.3333333 0.3333333 0.1585366), wk = 0.0026455 k( 351) = ( 0.3333333 0.3333333 0.1707317), wk = 0.0026455 k( 352) = ( 0.3333333 0.3333333 0.1829268), wk = 0.0026455 k( 353) = ( 0.3333333 0.3333333 0.1951219), wk = 0.0026455 k( 354) = ( 0.3333333 0.3333333 0.2073171), wk = 0.0026455 k( 355) = ( 0.3333333 0.3333333 0.2195122), wk = 0.0026455 k( 356) = ( 0.3333333 0.3333333 0.2317073), wk = 0.0026455 k( 357) = ( 0.3333333 0.3333333 0.2439024), wk = 0.0026455 k( 358) = ( 0.3333333 0.3333333 0.2560976), wk = 0.0026455 k( 359) = ( 0.3333333 0.3333333 0.2682927), wk = 0.0026455 k( 360) = ( 0.3333333 0.3333333 0.2804878), wk = 0.0026455 k( 361) = ( 0.3333333 0.3333333 0.2926829), wk = 0.0026455 k( 362) = ( 0.3333333 0.3333333 0.3048781), wk = 0.0026455 k( 363) = ( 0.3333333 0.3333333 0.3170732), wk = 0.0026455 k( 364) = ( 0.3333333 0.3333333 0.3292683), wk = 0.0026455 k( 365) = ( 0.3333333 0.3333333 0.3414634), wk = 0.0026455 k( 366) = ( 0.3333333 0.3333333 0.3536585), wk = 0.0026455 k( 367) = ( 0.3333333 0.3333333 0.3658537), wk = 0.0026455 k( 368) = ( 0.3333333 0.3333333 0.3780488), wk = 0.0026455 k( 369) = ( 0.3333333 0.3333333 0.3902439), wk = 0.0026455 k( 370) = ( 0.3333333 0.3333333 0.4024390), wk = 0.0026455 k( 371) = ( 0.3333333 0.3333333 0.4146341), wk = 0.0026455 k( 372) = ( 0.3333333 0.3333333 0.4268293), wk = 0.0026455 k( 373) = ( 0.3333333 0.3333333 0.4390244), wk = 0.0026455 k( 374) = ( 0.3333333 0.3333333 0.4512195), wk = 0.0026455 k( 375) = ( 0.3333333 0.3333333 0.4634146), wk = 0.0026455 k( 376) = ( 0.3333333 0.3333333 0.4756098), wk = 0.0026455 k( 377) = ( 0.3333333 0.3333333 0.4878049), wk = 0.0026455 k( 378) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0026455 Dense grid: 57685 G-vectors FFT dimensions: ( 54, 54, 50) Smooth grid: 13457 G-vectors FFT dimensions: ( 32, 32, 30) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.04 Mb ( 76, 34) NL pseudopotentials 0.06 Mb ( 38, 102) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.01 Mb ( 1201) G-vector shells 0.00 Mb ( 578) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.16 Mb ( 76, 136) Each subspace H/S matrix 0.28 Mb ( 136, 136) Each matrix 0.11 Mb ( 102, 2, 34) The potential is recalculated from file : ./YPPt.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 46.3 secs Computing kpt #: 2 total cpu time spent up to now is 46.9 secs Computing kpt #: 3 total cpu time spent up to now is 47.6 secs Computing kpt #: 4 total cpu time spent up to now is 48.3 secs Computing kpt #: 5 total cpu time spent up to now is 49.1 secs Computing kpt #: 6 total cpu time spent up to now is 49.7 secs Computing kpt #: 7 total cpu time spent up to now is 50.4 secs Computing kpt #: 8 total cpu time spent up to now is 51.0 secs Computing kpt #: 9 total cpu time spent up to now is 51.7 secs Computing kpt #: 10 total cpu time spent up to now is 52.4 secs Computing kpt #: 11 total cpu time spent up to now is 53.1 secs Computing kpt #: 12 total cpu time spent up to now is 53.9 secs Computing kpt #: 13 total cpu time spent up to now is 54.7 secs Computing kpt #: 14 total cpu time spent up to now is 55.6 secs Computing kpt #: 15 total cpu time spent up to now is 56.5 secs Computing kpt #: 16 total cpu time spent up to now is 57.4 secs Computing kpt #: 17 total cpu time spent up to now is 58.2 secs Computing kpt #: 18 total cpu time spent up to now is 59.2 secs Computing kpt #: 19 total cpu time spent up to now is 60.4 secs Computing kpt #: 20 total cpu time spent up to now is 61.5 secs Computing kpt #: 21 total cpu time spent up to now is 62.5 secs Computing kpt #: 22 total cpu time spent up to now is 63.5 secs Computing kpt #: 23 total cpu time spent up to now is 64.4 secs Computing kpt #: 24 total cpu time spent up to now is 65.3 secs Computing kpt #: 25 total cpu time spent up to now is 66.2 secs Computing kpt #: 26 total cpu time spent up to now is 67.1 secs Computing kpt #: 27 total cpu time spent up to now is 68.1 secs Computing kpt #: 28 total cpu time spent up to now is 69.2 secs Computing kpt #: 29 total cpu time spent up to now is 70.4 secs Computing kpt #: 30 total cpu time spent up to now is 71.7 secs Computing kpt #: 31 total cpu time spent up to now is 72.9 secs Computing kpt #: 32 total cpu time spent up to now is 74.3 secs Computing kpt #: 33 total cpu time spent up to now is 75.4 secs Computing kpt #: 34 total cpu time spent up to now is 76.5 secs Computing kpt #: 35 total cpu time spent up to now is 77.4 secs Computing kpt #: 36 total cpu time spent up to now is 78.3 secs Computing kpt #: 37 total cpu time spent up to now is 79.2 secs Computing kpt #: 38 total cpu time spent up to now is 80.1 secs Computing kpt #: 39 total cpu time spent up to now is 81.4 secs Computing kpt #: 40 total cpu time spent up to now is 82.5 secs Computing kpt #: 41 total cpu time spent up to now is 83.7 secs Computing kpt #: 42 total cpu time spent up to now is 84.8 secs Computing kpt #: 43 total cpu time spent up to now is 85.9 secs Computing kpt #: 44 total cpu time spent up to now is 87.0 secs Computing kpt #: 45 total cpu time spent up to now is 87.8 secs Computing kpt #: 46 total cpu time spent up to now is 88.7 secs Computing kpt #: 47 total cpu time spent up to now is 89.8 secs Computing kpt #: 48 total cpu time spent up to now is 90.7 secs Computing kpt #: 49 total cpu time spent up to now is 91.5 secs Computing kpt #: 50 total cpu time spent up to now is 92.3 secs Computing kpt #: 51 total cpu time spent up to now is 93.1 secs Computing kpt #: 52 total cpu time spent up to now is 93.7 secs Computing kpt #: 53 total cpu time spent up to now is 94.4 secs Computing kpt #: 54 total cpu time spent up to now is 95.2 secs Computing kpt #: 55 total cpu time spent up to now is 95.9 secs Computing kpt #: 56 total cpu time spent up to now is 96.6 secs Computing kpt #: 57 total cpu time spent up to now is 97.3 secs Computing kpt #: 58 total cpu time spent up to now is 98.0 secs Computing kpt #: 59 total cpu time spent up to now is 98.7 secs Computing kpt #: 60 total cpu time spent up to now is 99.5 secs Computing kpt #: 61 total cpu time spent up to now is 100.1 secs Computing kpt #: 62 total cpu time spent up to now is 100.8 secs Computing kpt #: 63 total cpu time spent up to now is 101.7 secs Computing kpt #: 64 total cpu time spent up to now is 102.5 secs Computing kpt #: 65 total cpu time spent up to now is 103.2 secs Computing kpt #: 66 total cpu time spent up to now is 104.0 secs Computing kpt #: 67 total cpu time spent up to now is 104.6 secs Computing kpt #: 68 total cpu time spent up to now is 105.4 secs Computing kpt #: 69 total cpu time spent up to now is 106.0 secs Computing kpt #: 70 total cpu time spent up to now is 106.6 secs Computing kpt #: 71 total cpu time spent up to now is 107.1 secs Computing kpt #: 72 total cpu time spent up to now is 107.7 secs Computing kpt #: 73 total cpu time spent up to now is 108.2 secs Computing kpt #: 74 total cpu time spent up to now is 108.8 secs Computing kpt #: 75 total cpu time spent up to now is 109.3 secs Computing kpt #: 76 total cpu time spent up to now is 109.9 secs Computing kpt #: 77 total cpu time spent up to now is 110.4 secs Computing kpt #: 78 total cpu time spent up to now is 111.0 secs Computing kpt #: 79 total cpu time spent up to now is 111.5 secs Computing kpt #: 80 total cpu time spent up to now is 112.1 secs Computing kpt #: 81 total cpu time spent up to now is 112.7 secs Computing kpt #: 82 total cpu time spent up to now is 113.4 secs Computing kpt #: 83 total cpu time spent up to now is 114.0 secs Computing kpt #: 84 total cpu time spent up to now is 116.3 secs Computing kpt #: 85 total cpu time spent up to now is 116.9 secs Computing kpt #: 86 total cpu time spent up to now is 117.6 secs Computing kpt #: 87 total cpu time spent up to now is 118.4 secs Computing kpt #: 88 total cpu time spent up to now is 119.6 secs Computing kpt #: 89 total cpu time spent up to now is 120.3 secs Computing kpt #: 90 total cpu time spent up to now is 121.1 secs Computing kpt #: 91 total cpu time spent up to now is 122.1 secs Computing kpt #: 92 total cpu time spent up to now is 123.1 secs Computing kpt #: 93 total cpu time spent up to now is 124.1 secs Computing kpt #: 94 total cpu time spent up to now is 124.8 secs Computing kpt #: 95 total cpu time spent up to now is 125.8 secs Computing kpt #: 96 total cpu time spent up to now is 126.5 secs Computing kpt #: 97 total cpu time spent up to now is 127.7 secs Computing kpt #: 98 total cpu time spent up to now is 128.8 secs Computing kpt #: 99 total cpu time spent up to now is 129.8 secs Computing kpt #: 100 total cpu time spent up to now is 130.6 secs Computing kpt #: 101 total cpu time spent up to now is 131.5 secs Computing kpt #: 102 total cpu time spent up to now is 132.6 secs Computing kpt #: 103 total cpu time spent up to now is 133.7 secs Computing kpt #: 104 total cpu time spent up to now is 134.5 secs Computing kpt #: 105 total cpu time spent up to now is 135.6 secs Computing kpt #: 106 total cpu time spent up to now is 136.5 secs Computing kpt #: 107 total cpu time spent up to now is 137.4 secs Computing kpt #: 108 total cpu time spent up to now is 138.5 secs Computing kpt #: 109 total cpu time spent up to now is 139.3 secs Computing kpt #: 110 total cpu time spent up to now is 140.3 secs Computing kpt #: 111 total cpu time spent up to now is 141.4 secs Computing kpt #: 112 total cpu time spent up to now is 142.6 secs Computing kpt #: 113 total cpu time spent up to now is 143.6 secs Computing kpt #: 114 total cpu time spent up to now is 144.5 secs Computing kpt #: 115 total cpu time spent up to now is 145.4 secs Computing kpt #: 116 total cpu time spent up to now is 146.2 secs Computing kpt #: 117 total cpu time spent up to now is 147.0 secs Computing kpt #: 118 total cpu time spent up to now is 147.9 secs Computing kpt #: 119 total cpu time spent up to now is 148.7 secs Computing kpt #: 120 total cpu time spent up to now is 149.8 secs Computing kpt #: 121 total cpu time spent up to now is 150.5 secs Computing kpt #: 122 total cpu time spent up to now is 151.2 secs Computing kpt #: 123 total cpu time spent up to now is 151.8 secs Computing kpt #: 124 total cpu time spent up to now is 152.4 secs Computing kpt #: 125 total cpu time spent up to now is 153.2 secs Computing kpt #: 126 total cpu time spent up to now is 153.9 secs Computing kpt #: 127 total cpu time spent up to now is 154.6 secs Computing kpt #: 128 total cpu time spent up to now is 155.4 secs Computing kpt #: 129 total cpu time spent up to now is 156.5 secs Computing kpt #: 130 total cpu time spent up to now is 157.1 secs Computing kpt #: 131 total cpu time spent up to now is 158.1 secs Computing kpt #: 132 total cpu time spent up to now is 159.2 secs Computing kpt #: 133 total cpu time spent up to now is 160.2 secs Computing kpt #: 134 total cpu time spent up to now is 161.0 secs Computing kpt #: 135 total cpu time spent up to now is 161.7 secs Computing kpt #: 136 total cpu time spent up to now is 162.6 secs Computing kpt #: 137 total cpu time spent up to now is 163.3 secs Computing kpt #: 138 total cpu time spent up to now is 164.0 secs Computing kpt #: 139 total cpu time spent up to now is 164.6 secs Computing kpt #: 140 total cpu time spent up to now is 165.3 secs Computing kpt #: 141 total cpu time spent up to now is 165.9 secs Computing kpt #: 142 total cpu time spent up to now is 166.6 secs Computing kpt #: 143 total cpu time spent up to now is 167.2 secs Computing kpt #: 144 total cpu time spent up to now is 167.9 secs Computing kpt #: 145 total cpu time spent up to now is 168.7 secs Computing kpt #: 146 total cpu time spent up to now is 169.4 secs Computing kpt #: 147 total cpu time spent up to now is 170.1 secs Computing kpt #: 148 total cpu time spent up to now is 170.8 secs Computing kpt #: 149 total cpu time spent up to now is 171.5 secs Computing kpt #: 150 total cpu time spent up to now is 172.2 secs Computing kpt #: 151 total cpu time spent up to now is 173.1 secs Computing kpt #: 152 total cpu time spent up to now is 173.8 secs Computing kpt #: 153 total cpu time spent up to now is 174.6 secs Computing kpt #: 154 total cpu time spent up to now is 175.3 secs Computing kpt #: 155 total cpu time spent up to now is 176.0 secs Computing kpt #: 156 total cpu time spent up to now is 176.7 secs Computing kpt #: 157 total cpu time spent up to now is 177.5 secs Computing kpt #: 158 total cpu time spent up to now is 178.3 secs Computing kpt #: 159 total cpu time spent up to now is 179.1 secs Computing kpt #: 160 total cpu time spent up to now is 179.9 secs Computing kpt #: 161 total cpu time spent up to now is 180.9 secs Computing kpt #: 162 total cpu time spent up to now is 181.8 secs Computing kpt #: 163 total cpu time spent up to now is 182.7 secs Computing kpt #: 164 total cpu time spent up to now is 184.2 secs Computing kpt #: 165 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 185.8 secs Computing kpt #: 166 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 187.5 secs Computing kpt #: 167 total cpu time spent up to now is 188.5 secs Computing kpt #: 168 total cpu time spent up to now is 190.0 secs Computing kpt #: 169 total cpu time spent up to now is 191.0 secs Computing kpt #: 170 total cpu time spent up to now is 191.9 secs Computing kpt #: 171 total cpu time spent up to now is 192.7 secs Computing kpt #: 172 total cpu time spent up to now is 193.5 secs Computing kpt #: 173 total cpu time spent up to now is 194.3 secs Computing kpt #: 174 total cpu time spent up to now is 195.1 secs Computing kpt #: 175 total cpu time spent up to now is 195.9 secs Computing kpt #: 176 total cpu time spent up to now is 196.8 secs Computing kpt #: 177 total cpu time spent up to now is 197.7 secs Computing kpt #: 178 total cpu time spent up to now is 198.6 secs Computing kpt #: 179 total cpu time spent up to now is 199.6 secs Computing kpt #: 180 total cpu time spent up to now is 200.5 secs Computing kpt #: 181 total cpu time spent up to now is 201.4 secs Computing kpt #: 182 total cpu time spent up to now is 202.3 secs Computing kpt #: 183 total cpu time spent up to now is 203.1 secs Computing kpt #: 184 total cpu time spent up to now is 204.1 secs Computing kpt #: 185 total cpu time spent up to now is 204.9 secs Computing kpt #: 186 total cpu time spent up to now is 205.6 secs Computing kpt #: 187 total cpu time spent up to now is 206.2 secs Computing kpt #: 188 total cpu time spent up to now is 206.9 secs Computing kpt #: 189 total cpu time spent up to now is 207.7 secs Computing kpt #: 190 total cpu time spent up to now is 208.4 secs Computing kpt #: 191 total cpu time spent up to now is 209.1 secs Computing kpt #: 192 total cpu time spent up to now is 209.8 secs Computing kpt #: 193 total cpu time spent up to now is 210.4 secs Computing kpt #: 194 total cpu time spent up to now is 211.1 secs Computing kpt #: 195 total cpu time spent up to now is 211.7 secs Computing kpt #: 196 total cpu time spent up to now is 212.4 secs Computing kpt #: 197 total cpu time spent up to now is 213.1 secs Computing kpt #: 198 total cpu time spent up to now is 214.1 secs Computing kpt #: 199 total cpu time spent up to now is 214.8 secs Computing kpt #: 200 total cpu time spent up to now is 215.8 secs Computing kpt #: 201 total cpu time spent up to now is 216.5 secs Computing kpt #: 202 total cpu time spent up to now is 217.3 secs Computing kpt #: 203 total cpu time spent up to now is 218.0 secs Computing kpt #: 204 total cpu time spent up to now is 218.7 secs Computing kpt #: 205 total cpu time spent up to now is 219.4 secs Computing kpt #: 206 total cpu time spent up to now is 220.2 secs Computing kpt #: 207 total cpu time spent up to now is 221.0 secs Computing kpt #: 208 total cpu time spent up to now is 221.8 secs Computing kpt #: 209 total cpu time spent up to now is 222.5 secs Computing kpt #: 210 total cpu time spent up to now is 223.3 secs Computing kpt #: 211 total cpu time spent up to now is 224.0 secs Computing kpt #: 212 total cpu time spent up to now is 224.7 secs Computing kpt #: 213 total cpu time spent up to now is 225.4 secs Computing kpt #: 214 total cpu time spent up to now is 226.2 secs Computing kpt #: 215 total cpu time spent up to now is 226.9 secs Computing kpt #: 216 total cpu time spent up to now is 227.7 secs Computing kpt #: 217 total cpu time spent up to now is 228.4 secs Computing kpt #: 218 total cpu time spent up to now is 229.1 secs Computing kpt #: 219 total cpu time spent up to now is 229.8 secs Computing kpt #: 220 total cpu time spent up to now is 230.5 secs Computing kpt #: 221 total cpu time spent up to now is 231.4 secs Computing kpt #: 222 total cpu time spent up to now is 232.2 secs Computing kpt #: 223 total cpu time spent up to now is 232.9 secs Computing kpt #: 224 total cpu time spent up to now is 233.7 secs Computing kpt #: 225 total cpu time spent up to now is 234.4 secs Computing kpt #: 226 total cpu time spent up to now is 235.2 secs Computing kpt #: 227 total cpu time spent up to now is 236.0 secs Computing kpt #: 228 total cpu time spent up to now is 236.8 secs Computing kpt #: 229 total cpu time spent up to now is 237.5 secs Computing kpt #: 230 total cpu time spent up to now is 238.3 secs Computing kpt #: 231 total cpu time spent up to now is 239.1 secs Computing kpt #: 232 total cpu time spent up to now is 239.9 secs Computing kpt #: 233 total cpu time spent up to now is 240.6 secs Computing kpt #: 234 total cpu time spent up to now is 241.5 secs Computing kpt #: 235 total cpu time spent up to now is 242.4 secs Computing kpt #: 236 total cpu time spent up to now is 243.3 secs Computing kpt #: 237 total cpu time spent up to now is 244.2 secs Computing kpt #: 238 total cpu time spent up to now is 245.2 secs Computing kpt #: 239 total cpu time spent up to now is 246.2 secs Computing kpt #: 240 total cpu time spent up to now is 247.2 secs Computing kpt #: 241 total cpu time spent up to now is 248.5 secs Computing kpt #: 242 total cpu time spent up to now is 249.8 secs Computing kpt #: 243 total cpu time spent up to now is 250.9 secs Computing kpt #: 244 total cpu time spent up to now is 251.8 secs Computing kpt #: 245 total cpu time spent up to now is 252.7 secs Computing kpt #: 246 total cpu time spent up to now is 253.6 secs Computing kpt #: 247 total cpu time spent up to now is 254.5 secs Computing kpt #: 248 total cpu time spent up to now is 255.4 secs Computing kpt #: 249 total cpu time spent up to now is 256.3 secs Computing kpt #: 250 total cpu time spent up to now is 257.0 secs Computing kpt #: 251 total cpu time spent up to now is 257.8 secs Computing kpt #: 252 total cpu time spent up to now is 258.6 secs Computing kpt #: 253 total cpu time spent up to now is 259.4 secs Computing kpt #: 254 total cpu time spent up to now is 260.2 secs Computing kpt #: 255 total cpu time spent up to now is 260.9 secs Computing kpt #: 256 total cpu time spent up to now is 261.7 secs Computing kpt #: 257 total cpu time spent up to now is 262.5 secs Computing kpt #: 258 total cpu time spent up to now is 263.3 secs Computing kpt #: 259 total cpu time spent up to now is 263.9 secs Computing kpt #: 260 total cpu time spent up to now is 264.6 secs Computing kpt #: 261 total cpu time spent up to now is 265.2 secs Computing kpt #: 262 total cpu time spent up to now is 265.9 secs Computing kpt #: 263 total cpu time spent up to now is 266.6 secs Computing kpt #: 264 total cpu time spent up to now is 267.4 secs Computing kpt #: 265 total cpu time spent up to now is 268.2 secs Computing kpt #: 266 total cpu time spent up to now is 268.8 secs Computing kpt #: 267 total cpu time spent up to now is 269.5 secs Computing kpt #: 268 total cpu time spent up to now is 270.1 secs Computing kpt #: 269 total cpu time spent up to now is 270.8 secs Computing kpt #: 270 total cpu time spent up to now is 271.5 secs Computing kpt #: 271 total cpu time spent up to now is 272.2 secs Computing kpt #: 272 total cpu time spent up to now is 273.0 secs Computing kpt #: 273 total cpu time spent up to now is 273.7 secs Computing kpt #: 274 total cpu time spent up to now is 274.5 secs Computing kpt #: 275 total cpu time spent up to now is 275.2 secs Computing kpt #: 276 total cpu time spent up to now is 275.8 secs Computing kpt #: 277 total cpu time spent up to now is 276.5 secs Computing kpt #: 278 total cpu time spent up to now is 277.3 secs Computing kpt #: 279 total cpu time spent up to now is 278.2 secs Computing kpt #: 280 total cpu time spent up to now is 279.3 secs Computing kpt #: 281 total cpu time spent up to now is 280.3 secs Computing kpt #: 282 total cpu time spent up to now is 281.3 secs Computing kpt #: 283 total cpu time spent up to now is 282.2 secs Computing kpt #: 284 total cpu time spent up to now is 283.2 secs Computing kpt #: 285 total cpu time spent up to now is 284.1 secs Computing kpt #: 286 total cpu time spent up to now is 285.0 secs Computing kpt #: 287 total cpu time spent up to now is 285.9 secs Computing kpt #: 288 total cpu time spent up to now is 286.7 secs Computing kpt #: 289 total cpu time spent up to now is 287.5 secs Computing kpt #: 290 total cpu time spent up to now is 288.3 secs Computing kpt #: 291 total cpu time spent up to now is 289.1 secs Computing kpt #: 292 total cpu time spent up to now is 290.0 secs Computing kpt #: 293 total cpu time spent up to now is 290.8 secs Computing kpt #: 294 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 292.4 secs Computing kpt #: 295 total cpu time spent up to now is 293.1 secs Computing kpt #: 296 total cpu time spent up to now is 293.8 secs Computing kpt #: 297 total cpu time spent up to now is 294.4 secs Computing kpt #: 298 total cpu time spent up to now is 295.1 secs Computing kpt #: 299 total cpu time spent up to now is 295.8 secs Computing kpt #: 300 total cpu time spent up to now is 296.6 secs Computing kpt #: 301 total cpu time spent up to now is 297.3 secs Computing kpt #: 302 total cpu time spent up to now is 298.0 secs Computing kpt #: 303 total cpu time spent up to now is 298.7 secs Computing kpt #: 304 total cpu time spent up to now is 299.3 secs Computing kpt #: 305 total cpu time spent up to now is 300.0 secs Computing kpt #: 306 total cpu time spent up to now is 300.7 secs Computing kpt #: 307 total cpu time spent up to now is 301.3 secs Computing kpt #: 308 total cpu time spent up to now is 302.0 secs Computing kpt #: 309 total cpu time spent up to now is 302.8 secs Computing kpt #: 310 total cpu time spent up to now is 303.5 secs Computing kpt #: 311 total cpu time spent up to now is 304.2 secs Computing kpt #: 312 total cpu time spent up to now is 304.8 secs Computing kpt #: 313 total cpu time spent up to now is 305.5 secs Computing kpt #: 314 total cpu time spent up to now is 306.1 secs Computing kpt #: 315 total cpu time spent up to now is 306.7 secs Computing kpt #: 316 total cpu time spent up to now is 307.4 secs Computing kpt #: 317 total cpu time spent up to now is 308.1 secs Computing kpt #: 318 total cpu time spent up to now is 308.8 secs Computing kpt #: 319 total cpu time spent up to now is 309.5 secs Computing kpt #: 320 total cpu time spent up to now is 310.2 secs Computing kpt #: 321 total cpu time spent up to now is 310.9 secs Computing kpt #: 322 total cpu time spent up to now is 311.5 secs Computing kpt #: 323 total cpu time spent up to now is 312.2 secs Computing kpt #: 324 total cpu time spent up to now is 312.8 secs Computing kpt #: 325 total cpu time spent up to now is 313.6 secs Computing kpt #: 326 total cpu time spent up to now is 314.3 secs Computing kpt #: 327 total cpu time spent up to now is 315.0 secs Computing kpt #: 328 total cpu time spent up to now is 315.7 secs Computing kpt #: 329 total cpu time spent up to now is 316.4 secs Computing kpt #: 330 total cpu time spent up to now is 317.2 secs Computing kpt #: 331 total cpu time spent up to now is 318.1 secs Computing kpt #: 332 total cpu time spent up to now is 318.9 secs Computing kpt #: 333 total cpu time spent up to now is 319.8 secs Computing kpt #: 334 total cpu time spent up to now is 320.9 secs Computing kpt #: 335 total cpu time spent up to now is 322.0 secs Computing kpt #: 336 total cpu time spent up to now is 323.0 secs Computing kpt #: 337 total cpu time spent up to now is 323.5 secs Computing kpt #: 338 total cpu time spent up to now is 324.1 secs Computing kpt #: 339 total cpu time spent up to now is 324.6 secs Computing kpt #: 340 total cpu time spent up to now is 325.3 secs Computing kpt #: 341 total cpu time spent up to now is 325.9 secs Computing kpt #: 342 total cpu time spent up to now is 326.6 secs Computing kpt #: 343 total cpu time spent up to now is 327.2 secs Computing kpt #: 344 total cpu time spent up to now is 327.7 secs Computing kpt #: 345 total cpu time spent up to now is 328.4 secs Computing kpt #: 346 total cpu time spent up to now is 329.0 secs Computing kpt #: 347 total cpu time spent up to now is 329.6 secs Computing kpt #: 348 total cpu time spent up to now is 330.2 secs Computing kpt #: 349 total cpu time spent up to now is 330.8 secs Computing kpt #: 350 total cpu time spent up to now is 331.5 secs Computing kpt #: 351 total cpu time spent up to now is 332.1 secs Computing kpt #: 352 total cpu time spent up to now is 332.8 secs Computing kpt #: 353 total cpu time spent up to now is 333.5 secs Computing kpt #: 354 total cpu time spent up to now is 334.1 secs Computing kpt #: 355 total cpu time spent up to now is 334.8 secs Computing kpt #: 356 total cpu time spent up to now is 335.5 secs Computing kpt #: 357 total cpu time spent up to now is 336.3 secs Computing kpt #: 358 total cpu time spent up to now is 337.0 secs Computing kpt #: 359 total cpu time spent up to now is 337.8 secs Computing kpt #: 360 total cpu time spent up to now is 338.6 secs Computing kpt #: 361 total cpu time spent up to now is 339.4 secs Computing kpt #: 362 total cpu time spent up to now is 340.2 secs Computing kpt #: 363 total cpu time spent up to now is 341.0 secs Computing kpt #: 364 total cpu time spent up to now is 341.7 secs Computing kpt #: 365 total cpu time spent up to now is 342.4 secs Computing kpt #: 366 total cpu time spent up to now is 343.2 secs Computing kpt #: 367 total cpu time spent up to now is 343.9 secs Computing kpt #: 368 total cpu time spent up to now is 344.8 secs Computing kpt #: 369 total cpu time spent up to now is 345.6 secs Computing kpt #: 370 total cpu time spent up to now is 346.4 secs Computing kpt #: 371 total cpu time spent up to now is 347.2 secs Computing kpt #: 372 total cpu time spent up to now is 348.0 secs Computing kpt #: 373 total cpu time spent up to now is 348.9 secs Computing kpt #: 374 total cpu time spent up to now is 349.8 secs Computing kpt #: 375 total cpu time spent up to now is 350.9 secs Computing kpt #: 376 total cpu time spent up to now is 352.0 secs Computing kpt #: 377 total cpu time spent up to now is 353.2 secs Computing kpt #: 378 total cpu time spent up to now is 354.4 secs ethr = 3.85E-11, avg # of iterations = 30.8 total cpu time spent up to now is 354.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1701 PWs) bands (ev): -29.1536 -29.1536 -10.1191 -10.1191 -8.6892 -8.6892 -8.6651 -8.6651 0.9390 0.9390 7.0083 7.0083 7.5258 7.5258 8.5434 8.5434 9.8803 9.8803 10.2251 10.2251 11.8497 11.8497 13.0725 13.0725 13.4178 13.4178 13.4581 13.4581 15.9495 15.9495 16.5396 16.5396 16.5883 16.5883 k = 0.0111 0.0064-0.0000 ( 1697 PWs) bands (ev): -29.1536 -29.1536 -10.1192 -10.1192 -8.6893 -8.6893 -8.6653 -8.6653 0.9403 0.9403 7.0081 7.0081 7.5254 7.5254 8.5440 8.5440 9.8798 9.8798 10.2240 10.2240 11.8501 11.8501 13.0649 13.0649 13.4173 13.4173 13.4644 13.4644 15.9496 15.9496 16.5420 16.5420 16.5909 16.5909 k = 0.0222 0.0128-0.0000 ( 1693 PWs) bands (ev): -29.1535 -29.1535 -10.1193 -10.1193 -8.6894 -8.6894 -8.6657 -8.6657 0.9443 0.9443 7.0075 7.0075 7.5244 7.5244 8.5455 8.5455 9.8780 9.8780 10.2208 10.2208 11.8510 11.8510 13.0431 13.0431 13.4158 13.4158 13.4819 13.4819 15.9501 15.9501 16.5487 16.5487 16.5992 16.5992 k = 0.0333 0.0192-0.0000 ( 1689 PWs) bands (ev): -29.1535 -29.1535 -10.1196 -10.1196 -8.6896 -8.6896 -8.6663 -8.6663 0.9510 0.9510 7.0064 7.0064 7.5228 7.5228 8.5480 8.5480 9.8752 9.8752 10.2155 10.2155 11.8526 11.8526 13.0097 13.0097 13.4133 13.4133 13.5082 13.5082 15.9511 15.9511 16.5582 16.5582 16.6147 16.6147 k = 0.0444 0.0257-0.0000 ( 1679 PWs) bands (ev): -29.1534 -29.1534 -10.1200 -10.1200 -8.6899 -8.6899 -8.6672 -8.6672 0.9604 0.9604 7.0046 7.0046 7.5209 7.5209 8.5515 8.5515 9.8711 9.8711 10.2081 10.2081 11.8550 11.8550 12.9672 12.9672 13.4096 13.4096 13.5403 13.5403 15.9527 15.9527 16.5689 16.5689 16.6385 16.6385 k = 0.0556 0.0321-0.0000 ( 1679 PWs) bands (ev): -29.1533 -29.1533 -10.1206 -10.1206 -8.6902 -8.6902 -8.6683 -8.6683 0.9723 0.9723 7.0020 7.0020 7.5190 7.5190 8.5559 8.5559 9.8659 9.8659 10.1987 10.1987 11.8584 11.8584 12.9174 12.9174 13.4047 13.4047 13.5761 13.5761 15.9554 15.9554 16.5802 16.5802 16.6709 16.6709 k = 0.0667 0.0385-0.0000 ( 1673 PWs) bands (ev): -29.1531 -29.1531 -10.1212 -10.1212 -8.6907 -8.6907 -8.6696 -8.6696 0.9869 0.9869 6.9981 6.9981 7.5176 7.5176 8.5613 8.5613 9.8594 9.8594 10.1875 10.1875 11.8629 11.8629 12.8613 12.8613 13.3984 13.3984 13.6142 13.6142 15.9594 15.9594 16.5923 16.5923 16.7112 16.7112 k = 0.0778 0.0449-0.0000 ( 1673 PWs) bands (ev): -29.1530 -29.1530 -10.1219 -10.1219 -8.6913 -8.6913 -8.6711 -8.6711 1.0039 1.0039 6.9928 6.9928 7.5171 7.5171 8.5674 8.5674 9.8517 9.8517 10.1746 10.1746 11.8687 11.8687 12.7996 12.7996 13.3905 13.3905 13.6534 13.6534 15.9653 15.9653 16.6055 16.6055 16.7587 16.7587 k = 0.0889 0.0513-0.0000 ( 1669 PWs) bands (ev): -29.1528 -29.1528 -10.1228 -10.1228 -8.6921 -8.6921 -8.6727 -8.6727 1.0235 1.0235 6.9858 6.9858 7.5180 7.5180 8.5744 8.5744 9.8426 9.8426 10.1601 10.1601 11.8761 11.8761 12.7326 12.7326 13.3810 13.3810 13.6929 13.6929 15.9735 15.9735 16.6197 16.6197 16.8126 16.8126 k = 0.1000 0.0577-0.0000 ( 1669 PWs) bands (ev): -29.1526 -29.1526 -10.1238 -10.1238 -8.6931 -8.6931 -8.6744 -8.6744 1.0455 1.0455 6.9767 6.9767 7.5207 7.5207 8.5821 8.5821 9.8322 9.8322 10.1443 10.1443 11.8851 11.8851 12.6604 12.6604 13.3697 13.3697 13.7320 13.7320 15.9847 15.9847 16.6351 16.6351 16.8721 16.8721 k = 0.1111 0.0642-0.0000 ( 1671 PWs) bands (ev): -29.1524 -29.1524 -10.1248 -10.1248 -8.6943 -8.6943 -8.6761 -8.6761 1.0698 1.0698 6.9655 6.9655 7.5257 7.5257 8.5904 8.5904 9.8203 9.8203 10.1275 10.1275 11.8961 11.8961 12.5832 12.5832 13.3563 13.3563 13.7700 13.7700 15.9994 15.9994 16.6516 16.6516 16.9362 16.9362 k = 0.1222 0.0706-0.0000 ( 1667 PWs) bands (ev): -29.1522 -29.1522 -10.1260 -10.1260 -8.6958 -8.6958 -8.6778 -8.6778 1.0964 1.0964 6.9519 6.9519 7.5333 7.5333 8.5992 8.5992 9.8069 9.8069 10.1098 10.1098 11.9090 11.9090 12.5009 12.5009 13.3407 13.3407 13.8064 13.8064 16.0181 16.0181 16.6690 16.6690 17.0039 17.0039 k = 0.1333 0.0770-0.0000 ( 1667 PWs) bands (ev): -29.1520 -29.1520 -10.1272 -10.1272 -8.6976 -8.6976 -8.6793 -8.6793 1.1252 1.1252 6.9361 6.9361 7.5436 7.5436 8.6084 8.6084 9.7920 9.7920 10.0915 10.0915 11.9241 11.9241 12.4137 12.4137 13.3226 13.3226 13.8407 13.8407 16.0414 16.0414 16.6872 16.6872 17.0735 17.0735 k = 0.1444 0.0834-0.0000 ( 1667 PWs) bands (ev): -29.1518 -29.1518 -10.1285 -10.1285 -8.6998 -8.6998 -8.6807 -8.6807 1.1560 1.1560 6.9181 6.9181 7.5569 7.5569 8.6180 8.6180 9.7755 9.7755 10.0730 10.0730 11.9415 11.9415 12.3218 12.3218 13.3019 13.3019 13.8725 13.8725 16.0697 16.0697 16.7060 16.7060 17.1393 17.1393 k = 0.1556 0.0898-0.0000 ( 1667 PWs) bands (ev): -29.1515 -29.1515 -10.1299 -10.1299 -8.7023 -8.7023 -8.6820 -8.6820 1.1889 1.1889 6.8981 6.8981 7.5730 7.5730 8.6278 8.6278 9.7575 9.7575 10.0546 10.0546 11.9611 11.9611 12.2254 12.2254 13.2784 13.2784 13.9016 13.9016 16.1032 16.1032 16.7251 16.7251 17.1667 17.1667 k = 0.1667 0.0962-0.0000 ( 1671 PWs) bands (ev): -29.1512 -29.1512 -10.1314 -10.1314 -8.7052 -8.7052 -8.6831 -8.6831 1.2236 1.2236 6.8764 6.8764 7.5919 7.5919 8.6376 8.6376 9.7379 9.7379 10.0364 10.0364 11.9829 11.9829 12.1249 12.1249 13.2520 13.2520 13.9277 13.9277 16.1420 16.1420 16.7441 16.7441 17.1333 17.1333 k = 0.1778 0.1026-0.0000 ( 1672 PWs) bands (ev): -29.1510 -29.1510 -10.1329 -10.1329 -8.7083 -8.7083 -8.6840 -8.6840 1.2600 1.2600 6.8534 6.8534 7.6136 7.6136 8.6473 8.6473 9.7168 9.7168 10.0187 10.0187 12.0033 12.0033 12.0241 12.0241 13.2225 13.2225 13.9508 13.9508 16.1858 16.1858 16.7627 16.7627 17.0924 17.0924 k = 0.1889 0.1091-0.0000 ( 1674 PWs) bands (ev): -29.1507 -29.1507 -10.1345 -10.1345 -8.7117 -8.7117 -8.6848 -8.6848 1.2981 1.2981 6.8293 6.8293 7.6378 7.6378 8.6569 8.6569 9.6944 9.6944 10.0017 10.0017 11.9105 11.9105 12.0351 12.0351 13.1899 13.1899 13.9710 13.9710 16.2342 16.2342 16.7804 16.7804 17.0549 17.0549 k = 0.2000 0.1155-0.0000 ( 1670 PWs) bands (ev): -29.1504 -29.1504 -10.1362 -10.1362 -8.7153 -8.7153 -8.6856 -8.6856 1.3376 1.3376 6.8045 6.8045 7.6644 7.6644 8.6661 8.6661 9.6709 9.6709 9.9855 9.9855 11.7992 11.7992 12.0637 12.0637 13.1541 13.1541 13.9886 13.9886 16.2864 16.2864 16.7966 16.7966 17.0222 17.0222 k = 0.2111 0.1219-0.0000 ( 1666 PWs) bands (ev): -29.1501 -29.1501 -10.1378 -10.1378 -8.7190 -8.7190 -8.6863 -8.6863 1.3784 1.3784 6.7794 6.7794 7.6932 7.6932 8.6748 8.6748 9.6464 9.6464 9.9702 9.9702 11.6850 11.6850 12.0946 12.0946 13.1152 13.1152 14.0039 14.0039 16.3412 16.3412 16.8110 16.8110 16.9945 16.9945 k = 0.2222 0.1283-0.0000 ( 1664 PWs) bands (ev): -29.1497 -29.1497 -10.1395 -10.1395 -8.7229 -8.7229 -8.6869 -8.6869 1.4203 1.4203 6.7543 6.7543 7.7238 7.7238 8.6829 8.6829 9.6214 9.6214 9.9558 9.9558 11.5685 11.5685 12.1274 12.1274 13.0734 13.0734 14.0171 14.0171 16.3972 16.3972 16.8234 16.8234 16.9717 16.9717 k = 0.2333 0.1347-0.0000 ( 1666 PWs) bands (ev): -29.1494 -29.1494 -10.1413 -10.1413 -8.7268 -8.7268 -8.6874 -8.6874 1.4632 1.4632 6.7296 6.7296 7.7562 7.7562 8.6902 8.6902 9.5959 9.5959 9.9423 9.9423 11.4503 11.4503 12.1619 12.1619 13.0288 13.0288 14.0288 14.0288 16.4522 16.4522 16.8334 16.8334 16.9547 16.9547 k = 0.2444 0.1411-0.0000 ( 1672 PWs) bands (ev): -29.1491 -29.1491 -10.1430 -10.1430 -8.7308 -8.7308 -8.6880 -8.6880 1.5069 1.5069 6.7054 6.7054 7.7900 7.7900 8.6967 8.6967 9.5704 9.5704 9.9296 9.9296 11.3310 11.3310 12.1978 12.1978 12.9818 12.9818 14.0392 14.0392 16.5043 16.5043 16.8407 16.8407 16.9453 16.9453 k = 0.2556 0.1475-0.0000 ( 1674 PWs) bands (ev): -29.1488 -29.1488 -10.1448 -10.1448 -8.7348 -8.7348 -8.6884 -8.6884 1.5512 1.5512 6.6822 6.6822 7.8251 7.8251 8.7021 8.7021 9.5450 9.5450 9.9179 9.9179 11.2112 11.2112 12.2345 12.2345 12.9329 12.9329 14.0489 14.0489 16.5511 16.5511 16.8440 16.8440 16.9466 16.9466 k = 0.2667 0.1540-0.0000 ( 1674 PWs) bands (ev): -29.1485 -29.1485 -10.1466 -10.1466 -8.7387 -8.7387 -8.6889 -8.6889 1.5958 1.5958 6.6601 6.6601 7.8612 7.8612 8.7065 8.7065 9.5200 9.5200 9.9070 9.9070 11.0916 11.0916 12.2715 12.2715 12.8829 12.8829 14.0580 14.0580 16.5911 16.5911 16.8434 16.8434 16.9598 16.9598 k = 0.2778 0.1604-0.0000 ( 1674 PWs) bands (ev): -29.1482 -29.1482 -10.1483 -10.1483 -8.7427 -8.7427 -8.6894 -8.6894 1.6406 1.6406 6.6393 6.6393 7.8980 7.8980 8.7097 8.7097 9.4956 9.4956 9.8969 9.8969 10.9727 10.9727 12.3076 12.3076 12.8329 12.8329 14.0671 14.0671 16.6241 16.6241 16.8407 16.8407 16.9826 16.9826 k = 0.2889 0.1668-0.0000 ( 1672 PWs) bands (ev): -29.1479 -29.1479 -10.1501 -10.1501 -8.7466 -8.7466 -8.6898 -8.6898 1.6854 1.6854 6.6201 6.6201 7.9352 7.9352 8.7117 8.7117 9.4719 9.4719 9.8876 9.8876 10.8552 10.8553 12.3413 12.3413 12.7848 12.7848 14.0761 14.0761 16.6508 16.6508 16.8382 16.8382 17.0112 17.0112 k = 0.3000 0.1732-0.0000 ( 1676 PWs) bands (ev): -29.1476 -29.1476 -10.1518 -10.1518 -8.7504 -8.7504 -8.6902 -8.6902 1.7299 1.7299 6.6025 6.6025 7.9726 7.9726 8.7126 8.7126 9.4492 9.4492 9.8790 9.8790 10.7399 10.7399 12.3694 12.3694 12.7417 12.7417 14.0855 14.0855 16.6730 16.6730 16.8372 16.8372 17.0420 17.0420 k = 0.3111 0.1796-0.0000 ( 1680 PWs) bands (ev): -29.1473 -29.1473 -10.1534 -10.1534 -8.7542 -8.7542 -8.6906 -8.6906 1.7739 1.7739 6.5869 6.5869 8.0097 8.0097 8.7123 8.7123 9.4273 9.4273 9.8710 9.8710 10.6275 10.6275 12.3872 12.3872 12.7087 12.7087 14.0952 14.0952 16.6923 16.6923 16.8384 16.8384 17.0725 17.0725 k = 0.3222 0.1860-0.0000 ( 1680 PWs) bands (ev): -29.1470 -29.1470 -10.1551 -10.1551 -8.7578 -8.7578 -8.6909 -8.6909 1.8171 1.8171 6.5731 6.5731 8.0463 8.0463 8.7109 8.7109 9.4064 9.4064 9.8636 9.8636 10.5186 10.5186 12.3884 12.3884 12.6922 12.6922 14.1054 14.1054 16.7101 16.7101 16.8419 16.8419 17.1014 17.1014 k = 0.3333 0.1925-0.0000 ( 1678 PWs) bands (ev): -29.1468 -29.1468 -10.1567 -10.1567 -8.7613 -8.7613 -8.6913 -8.6913 1.8593 1.8593 6.5613 6.5613 8.0820 8.0820 8.7086 8.7086 9.3864 9.3864 9.8567 9.8567 10.4141 10.4141 12.3699 12.3699 12.6954 12.6954 14.1161 14.1161 16.7270 16.7270 16.8478 16.8478 17.1280 17.1280 k = 0.3444 0.1989-0.0000 ( 1674 PWs) bands (ev): -29.1465 -29.1465 -10.1582 -10.1582 -8.7646 -8.7646 -8.6916 -8.6916 1.9003 1.9003 6.5516 6.5516 8.1163 8.1163 8.7055 8.7055 9.3672 9.3672 9.8501 9.8501 10.3148 10.3148 12.3353 12.3353 12.7151 12.7151 14.1272 14.1272 16.7437 16.7437 16.8559 16.8559 17.1521 17.1521 k = 0.3556 0.2053-0.0000 ( 1680 PWs) bands (ev): -29.1462 -29.1462 -10.1596 -10.1596 -8.7678 -8.7678 -8.6919 -8.6919 1.9397 1.9397 6.5439 6.5439 8.1489 8.1489 8.7017 8.7017 9.3489 9.3489 9.8435 9.8435 10.2217 10.2217 12.2908 12.2908 12.7450 12.7450 14.1387 14.1387 16.7602 16.7602 16.8661 16.8661 17.1736 17.1736 k = 0.3667 0.2117-0.0000 ( 1684 PWs) bands (ev): -29.1460 -29.1460 -10.1610 -10.1610 -8.7708 -8.7708 -8.6922 -8.6922 1.9775 1.9775 6.5381 6.5381 8.1792 8.1792 8.6975 8.6975 9.3311 9.3311 9.8367 9.8367 10.1358 10.1358 12.2415 12.2415 12.7803 12.7803 14.1504 14.1504 16.7765 16.7765 16.8781 16.8781 17.1920 17.1920 k = 0.3778 0.2181-0.0000 ( 1684 PWs) bands (ev): -29.1458 -29.1458 -10.1623 -10.1623 -8.7736 -8.7736 -8.6924 -8.6924 2.0133 2.0133 6.5342 6.5342 8.2069 8.2069 8.6930 8.6930 9.3140 9.3140 9.8289 9.8289 10.0585 10.0585 12.1905 12.1905 12.8181 12.8181 14.1623 14.1623 16.7922 16.7922 16.8917 16.8917 17.2069 17.2069 k = 0.3889 0.2245-0.0000 ( 1684 PWs) bands (ev): -29.1456 -29.1456 -10.1635 -10.1635 -8.7763 -8.7763 -8.6927 -8.6927 2.0468 2.0468 6.5320 6.5320 8.2317 8.2317 8.6885 8.6885 9.2975 9.2975 9.8186 9.8186 9.9917 9.9917 12.1397 12.1397 12.8564 12.8564 14.1740 14.1740 16.8070 16.8070 16.9067 16.9067 17.2167 17.2167 k = 0.4000 0.2309-0.0000 ( 1690 PWs) bands (ev): -29.1454 -29.1454 -10.1647 -10.1647 -8.7786 -8.7786 -8.6929 -8.6929 2.0779 2.0779 6.5312 6.5312 8.2530 8.2530 8.6841 8.6841 9.2816 9.2816 9.8033 9.8033 9.9383 9.9383 12.0905 12.0905 12.8941 12.8941 14.1855 14.1855 16.8201 16.8201 16.9228 16.9228 17.2185 17.2185 k = 0.4111 0.2374-0.0000 ( 1698 PWs) bands (ev): -29.1452 -29.1452 -10.1657 -10.1657 -8.7808 -8.7808 -8.6931 -8.6931 2.1064 2.1064 6.5318 6.5318 8.2709 8.2709 8.6798 8.6798 9.2664 9.2664 9.7804 9.7804 9.9013 9.9013 12.0440 12.0440 12.9302 12.9302 14.1965 14.1965 16.8309 16.8309 16.9397 16.9397 17.2084 17.2084 k = 0.4222 0.2438-0.0000 ( 1700 PWs) bands (ev): -29.1451 -29.1451 -10.1666 -10.1666 -8.7828 -8.7828 -8.6932 -8.6932 2.1320 2.1320 6.5334 6.5334 8.2853 8.2853 8.6759 8.6759 9.2523 9.2523 9.7510 9.7510 9.8795 9.8795 12.0010 12.0010 12.9638 12.9638 14.2069 14.2069 16.8385 16.8385 16.9572 16.9572 17.1875 17.1875 k = 0.4333 0.2502-0.0000 ( 1700 PWs) bands (ev): -29.1450 -29.1450 -10.1674 -10.1674 -8.7845 -8.7845 -8.6934 -8.6934 2.1546 2.1546 6.5357 6.5357 8.2962 8.2962 8.6724 8.6724 9.2395 9.2395 9.7202 9.7202 9.8674 9.8674 11.9623 11.9623 12.9944 12.9944 14.2163 14.2163 16.8424 16.8424 16.9749 16.9749 17.1632 17.1632 k = 0.4444 0.2566-0.0000 ( 1698 PWs) bands (ev): -29.1448 -29.1448 -10.1681 -10.1681 -8.7859 -8.7859 -8.6935 -8.6935 2.1740 2.1740 6.5383 6.5383 8.3041 8.3041 8.6693 8.6693 9.2283 9.2283 9.6922 9.6922 9.8605 9.8605 11.9283 11.9283 13.0214 13.0214 14.2247 14.2247 16.8426 16.8426 16.9922 16.9922 17.1414 17.1414 k = 0.4556 0.2630-0.0000 ( 1706 PWs) bands (ev): -29.1448 -29.1448 -10.1686 -10.1686 -8.7871 -8.7871 -8.6936 -8.6936 2.1901 2.1901 6.5411 6.5411 8.3094 8.3094 8.6666 8.6666 9.2190 9.2190 9.6690 9.6690 9.8564 9.8564 11.8997 11.8997 13.0443 13.0443 14.2319 14.2319 16.8396 16.8396 17.0084 17.0084 17.1243 17.1243 k = 0.4667 0.2694-0.0000 ( 1702 PWs) bands (ev): -29.1447 -29.1447 -10.1691 -10.1691 -8.7880 -8.7880 -8.6937 -8.6937 2.2027 2.2027 6.5435 6.5435 8.3127 8.3127 8.6644 8.6644 9.2116 9.2116 9.6510 9.6510 9.8538 9.8538 11.8770 11.8770 13.0625 13.0625 14.2376 14.2376 16.8349 16.8349 17.0227 17.0227 17.1121 17.1121 k = 0.4778 0.2758-0.0000 ( 1702 PWs) bands (ev): -29.1446 -29.1446 -10.1694 -10.1694 -8.7887 -8.7887 -8.6938 -8.6938 2.2118 2.2118 6.5455 6.5455 8.3146 8.3146 8.6628 8.6628 9.2064 9.2064 9.6383 9.6383 9.8522 9.8522 11.8605 11.8605 13.0758 13.0758 14.2418 14.2418 16.8301 16.8301 17.0341 17.0341 17.1042 17.1042 k = 0.4889 0.2823-0.0000 ( 1698 PWs) bands (ev): -29.1446 -29.1446 -10.1696 -10.1696 -8.7891 -8.7891 -8.6938 -8.6938 2.2173 2.2173 6.5468 6.5468 8.3155 8.3155 8.6619 8.6619 9.2033 9.2033 9.6307 9.6307 9.8513 9.8513 11.8505 11.8505 13.0839 13.0839 14.2443 14.2443 16.8265 16.8265 17.0416 17.0416 17.0996 17.0996 k = 0.5000 0.2887-0.0000 ( 1690 PWs) bands (ev): -29.1445 -29.1445 -10.1696 -10.1696 -8.7892 -8.7892 -8.6938 -8.6938 2.2191 2.2191 6.5473 6.5473 8.3157 8.3157 8.6615 8.6615 9.2022 9.2022 9.6282 9.6282 9.8511 9.8511 11.8471 11.8471 13.0867 13.0867 14.2452 14.2452 16.8252 16.8252 17.0442 17.0442 17.0980 17.0980 k = 0.5000 0.2887-0.0000 ( 1690 PWs) bands (ev): -29.1445 -29.1445 -10.1696 -10.1696 -8.7892 -8.7892 -8.6938 -8.6938 2.2191 2.2191 6.5473 6.5473 8.3157 8.3157 8.6615 8.6615 9.2022 9.2022 9.6282 9.6282 9.8511 9.8511 11.8471 11.8471 13.0867 13.0867 14.2452 14.2452 16.8252 16.8252 17.0442 17.0442 17.0980 17.0980 k = 0.4936 0.2998-0.0000 ( 1690 PWs) bands (ev): -29.1445 -29.1445 -10.1697 -10.1696 -8.7893 -8.7891 -8.6939 -8.6939 2.2183 2.2206 6.5481 6.5492 8.3126 8.3196 8.6437 8.6790 9.1913 9.2120 9.6051 9.6462 9.8517 9.8541 11.8050 11.8804 13.0838 13.0918 14.2367 14.2630 16.7860 16.8274 17.0127 17.0461 17.0690 17.1032 k = 0.4872 0.3109-0.0000 ( 1698 PWs) bands (ev): -29.1446 -29.1445 -10.1697 -10.1697 -8.7894 -8.7888 -8.6942 -8.6941 2.2182 2.2229 6.5517 6.5540 8.3102 8.3240 8.6257 8.6961 9.1793 9.2207 9.5777 9.6583 9.8553 9.8613 11.7551 11.9043 13.0832 13.0992 14.2381 14.2894 16.7194 16.7874 16.9815 16.9823 17.0656 17.0814 k = 0.4808 0.3220-0.0000 ( 1698 PWs) bands (ev): -29.1446 -29.1445 -10.1698 -10.1697 -8.7894 -8.7886 -8.6947 -8.6945 2.2188 2.2259 6.5581 6.5615 8.3086 8.3289 8.6079 8.7125 9.1664 9.2282 9.5466 9.6644 9.8615 9.8723 11.6986 11.9183 13.0850 13.1091 14.2495 14.3236 16.6343 16.7152 16.9152 16.9424 17.0284 17.0829 k = 0.4744 0.3331-0.0000 ( 1694 PWs) bands (ev): -29.1445 -29.1445 -10.1699 -10.1698 -8.7893 -8.7882 -8.6953 -8.6951 2.2202 2.2295 6.5673 6.5719 8.3076 8.3341 8.5904 8.7283 9.1527 9.2347 9.5125 9.6650 9.8695 9.8864 11.6367 11.9225 13.0894 13.1219 14.2706 14.3646 16.5378 16.6256 16.8484 16.8844 17.0058 17.0771 k = 0.4679 0.3442-0.0000 ( 1700 PWs) bands (ev): -29.1445 -29.1444 -10.1700 -10.1699 -8.7892 -8.7879 -8.6961 -8.6958 2.2222 2.2338 6.5792 6.5850 8.3072 8.3391 8.5736 8.7433 9.1384 9.2402 9.4758 9.6608 9.8792 9.9024 11.5708 11.9171 13.0965 13.1377 14.3010 14.4113 16.4348 16.5271 16.7813 16.8176 16.9887 17.0661 k = 0.4615 0.3553-0.0000 ( 1700 PWs) bands (ev): -29.1445 -29.1444 -10.1702 -10.1700 -8.7890 -8.7874 -8.6971 -8.6967 2.2248 2.2387 6.5938 6.6008 8.3072 8.3436 8.5579 8.7574 9.1237 9.2447 9.4367 9.6527 9.8900 9.9190 11.5023 11.9029 13.1066 13.1568 14.3399 14.4629 16.3280 16.4237 16.7142 16.7485 16.9711 17.0510 k = 0.4551 0.3664-0.0000 ( 1698 PWs) bands (ev): -29.1444 -29.1443 -10.1704 -10.1701 -8.7888 -8.7869 -8.6981 -8.6977 2.2281 2.2442 6.6111 6.6193 8.3074 8.3471 8.5437 8.7707 9.1087 9.2483 9.3957 9.6414 9.9019 9.9351 11.4326 11.8809 13.1199 13.1795 14.3864 14.5186 16.2192 16.3176 16.6479 16.6797 16.9510 17.0324 k = 0.4487 0.3775-0.0000 ( 1702 PWs) bands (ev): -29.1444 -29.1443 -10.1706 -10.1703 -8.7885 -8.7864 -8.6993 -8.6989 2.2320 2.2502 6.6310 6.6406 8.3076 8.3488 8.5315 8.7832 9.0935 9.2510 9.3532 9.6274 9.9144 9.9497 11.3629 11.8521 13.1365 13.2058 14.4395 14.5777 16.1094 16.2099 16.5828 16.6123 16.9277 17.0101 k = 0.4423 0.3886-0.0000 ( 1702 PWs) bands (ev): -29.1444 -29.1442 -10.1708 -10.1705 -8.7882 -8.7859 -8.7006 -8.7002 2.2365 2.2567 6.6535 6.6644 8.3075 8.3483 8.5217 8.7948 9.0780 9.2529 9.3096 9.6113 9.9275 9.9621 11.2946 11.8179 13.1566 13.2360 14.4983 14.6397 15.9993 16.1015 16.5193 16.5469 16.9011 16.9843 k = 0.4359 0.3997-0.0000 ( 1694 PWs) bands (ev): -29.1443 -29.1441 -10.1710 -10.1707 -8.7879 -8.7853 -8.7020 -8.7015 2.2414 2.2637 6.6785 6.6908 8.3067 8.3452 8.5141 8.8057 9.0619 9.2539 9.2659 9.5937 9.9408 9.9716 11.2288 11.7795 13.1804 13.2699 14.5619 14.7040 15.8894 15.9929 16.4578 16.4838 16.8708 16.9548 k = 0.4295 0.4108-0.0000 ( 1692 PWs) bands (ev): -29.1442 -29.1441 -10.1713 -10.1709 -8.7876 -8.7847 -8.7034 -8.7030 2.2468 2.2709 6.7060 6.7196 8.3048 8.3393 8.5086 8.8159 9.0443 9.2233 9.2540 9.5751 9.9541 9.9775 11.1666 11.7379 13.2080 13.3077 14.6296 14.7703 15.7801 15.8844 16.3986 16.4231 16.8370 16.9217 k = 0.4231 0.4219-0.0000 ( 1692 PWs) bands (ev): -29.1442 -29.1440 -10.1715 -10.1711 -8.7872 -8.7841 -8.7049 -8.7045 2.2525 2.2785 6.7357 6.7508 8.3014 8.3312 8.5040 8.8257 9.0240 9.1838 9.2534 9.5564 9.9673 9.9796 11.1088 11.6944 13.2395 13.3493 14.7005 14.8384 15.6718 15.7764 16.3417 16.3650 16.7996 16.8849 k = 0.4167 0.4330-0.0000 ( 1696 PWs) bands (ev): -29.1441 -29.1439 -10.1718 -10.1714 -8.7868 -8.7835 -8.7064 -8.7060 2.2585 2.2863 6.7677 6.7842 8.2960 8.3213 8.4991 8.8352 8.9991 9.1497 9.2521 9.5382 9.9775 9.9801 11.0562 11.6499 13.2749 13.3946 14.7743 14.9079 15.5647 15.6690 16.2873 16.3095 16.7586 16.8444 k = 0.4103 0.4441-0.0000 ( 1692 PWs) bands (ev): -29.1441 -29.1438 -10.1721 -10.1716 -8.7865 -8.7829 -8.7080 -8.7075 2.2648 2.2941 6.8017 6.8196 8.2881 8.3103 8.4926 8.8444 8.9688 9.1228 9.2506 9.5212 9.9711 9.9924 11.0091 11.6053 13.3143 13.4437 14.8504 14.9784 15.4594 15.5626 16.2356 16.2566 16.7141 16.8003 k = 0.4038 0.4552-0.0000 ( 1692 PWs) bands (ev): -29.1440 -29.1438 -10.1723 -10.1719 -8.7861 -8.7823 -8.7095 -8.7091 2.2711 2.3020 6.8375 6.8569 8.2772 8.2986 8.4832 8.8531 8.9342 9.1029 9.2493 9.5061 9.9605 10.0040 10.9678 11.5614 13.3575 13.4965 14.9282 15.0493 15.3566 15.4574 16.1867 16.2062 16.6664 16.7528 k = 0.3974 0.4663-0.0000 ( 1696 PWs) bands (ev): -29.1439 -29.1437 -10.1726 -10.1721 -8.7858 -8.7817 -8.7109 -8.7105 2.2775 2.3099 6.8749 6.8957 8.2629 8.2868 8.4697 8.8582 8.9005 9.0886 9.2490 9.4933 9.9460 10.0148 10.9321 11.5189 13.4045 13.5528 15.0072 15.1166 15.2604 15.3540 16.1405 16.1584 16.6156 16.7021 k = 0.3910 0.4774-0.0000 ( 1700 PWs) bands (ev): -29.1439 -29.1437 -10.1729 -10.1724 -8.7855 -8.7812 -8.7123 -8.7120 2.2839 2.3175 6.9136 6.9356 8.2447 8.2751 8.4515 8.8432 8.8873 9.0779 9.2506 9.4828 9.9280 10.0247 10.9017 11.4785 13.4551 13.6127 15.0850 15.1271 15.2242 15.2546 16.0972 16.1132 16.5619 16.6483 k = 0.3846 0.4885-0.0000 ( 1694 PWs) bands (ev): -29.1438 -29.1436 -10.1731 -10.1726 -8.7852 -8.7807 -8.7136 -8.7133 2.2901 2.3249 6.9530 6.9762 8.2227 8.2638 8.4286 8.8105 8.8941 9.0697 9.2548 9.4746 9.9074 10.0336 10.8763 11.4406 13.5089 13.6758 15.0427 15.1227 15.1980 15.2863 16.0570 16.0704 16.5057 16.5920 k = 0.3782 0.4996-0.0000 ( 1694 PWs) bands (ev): -29.1438 -29.1435 -10.1734 -10.1728 -8.7849 -8.7803 -8.7148 -8.7146 2.2960 2.3319 6.9926 7.0169 8.1969 8.2530 8.4013 8.7776 8.9047 9.0628 9.2621 9.4682 9.8847 10.0414 10.8552 11.4058 13.5654 13.7421 14.9500 15.0398 15.2647 15.3602 16.0199 16.0300 16.4474 16.5333 k = 0.3718 0.5107-0.0000 ( 1694 PWs) bands (ev): -29.1437 -29.1435 -10.1736 -10.1731 -8.7847 -8.7800 -8.7159 -8.7157 2.3016 2.3384 7.0316 7.0568 8.1681 8.2425 8.3712 8.7482 8.9165 9.0566 9.2726 9.4632 9.8611 10.0481 10.8379 11.3746 13.6240 13.8111 14.8592 14.9441 15.3469 15.4359 15.9861 15.9920 16.3875 16.4729 k = 0.3654 0.5218-0.0000 ( 1694 PWs) bands (ev): -29.1437 -29.1434 -10.1738 -10.1733 -8.7846 -8.7797 -8.7168 -8.7166 2.3066 2.3442 7.0691 7.0949 8.1376 8.2320 8.3402 8.7233 8.9285 9.0508 9.2857 9.4591 9.8374 10.0537 10.8240 11.3473 13.6835 13.8824 14.7725 14.8494 15.4309 15.5116 15.9560 15.9561 16.3267 16.4115 k = 0.3590 0.5329-0.0000 ( 1690 PWs) bands (ev): -29.1436 -29.1434 -10.1740 -10.1734 -8.7845 -8.7794 -8.7175 -8.7174 2.3110 2.3493 7.1037 7.1299 8.1072 8.2211 8.3113 8.7032 8.9402 9.0452 9.3008 9.4555 9.8150 10.0582 10.8129 11.3243 13.7423 13.9550 14.6918 14.7577 15.5150 15.5856 15.9223 15.9304 16.2661 16.3499 k = 0.3526 0.5440-0.0000 ( 1694 PWs) bands (ev): -29.1436 -29.1433 -10.1741 -10.1736 -8.7844 -8.7793 -8.7181 -8.7181 2.3147 2.3535 7.1338 7.1602 8.0792 8.2093 8.2875 8.6878 8.9512 9.0397 9.3164 9.4518 9.7951 10.0617 10.8045 11.3060 13.7975 14.0271 14.6198 14.6707 15.5977 15.6546 15.8902 15.9109 16.2074 16.2898 k = 0.3462 0.5551-0.0000 ( 1692 PWs) bands (ev): -29.1436 -29.1433 -10.1743 -10.1737 -8.7844 -8.7792 -8.7186 -8.7185 2.3175 2.3566 7.1574 7.1839 8.0562 8.1972 8.2711 8.6770 8.9605 9.0347 9.3308 9.4480 9.7794 10.0640 10.7985 11.2926 13.8448 14.0950 14.5606 14.5924 15.6765 15.7122 15.8593 15.9010 16.1537 16.2344 k = 0.3397 0.5662-0.0000 ( 1698 PWs) bands (ev): -29.1436 -29.1433 -10.1743 -10.1737 -8.7844 -8.7791 -8.7188 -8.7188 2.3193 2.3586 7.1727 7.1991 8.0408 8.1875 8.2620 8.6707 8.9670 9.0310 9.3416 9.4446 9.7692 10.0654 10.7949 11.2844 13.8781 14.1496 14.5204 14.5316 15.7459 15.7481 15.8285 15.9044 16.1115 16.1905 k = 0.3333 0.5774-0.0000 ( 1704 PWs) bands (ev): -29.1436 -29.1433 -10.1744 -10.1738 -8.7844 -8.7791 -8.7189 -8.7189 2.3199 2.3593 7.1781 7.2044 8.0354 8.1838 8.2592 8.6686 8.9694 9.0296 9.3458 9.4431 9.7656 10.0658 10.7937 11.2817 13.8904 14.1724 14.5059 14.5068 15.7583 15.7911 15.7998 15.9111 16.0937 16.1720 k = 0.3333 0.5774-0.0000 ( 1704 PWs) bands (ev): -29.1436 -29.1433 -10.1744 -10.1738 -8.7844 -8.7791 -8.7189 -8.7189 2.3199 2.3593 7.1781 7.2044 8.0354 8.1838 8.2592 8.6686 8.9694 9.0296 9.3458 9.4431 9.7656 10.0658 10.7937 11.2817 13.8904 14.1724 14.5059 14.5068 15.7583 15.7911 15.7998 15.9111 16.0937 16.1720 k = 0.3269 0.5662-0.0000 ( 1696 PWs) bands (ev): -29.1436 -29.1433 -10.1743 -10.1737 -8.7844 -8.7791 -8.7188 -8.7188 2.3192 2.3586 7.1726 7.1990 8.0410 8.1877 8.2621 8.6707 8.9670 9.0310 9.3413 9.4448 9.7692 10.0654 10.7950 11.2845 13.8779 14.1493 14.5206 14.5319 15.7516 15.7574 15.8141 15.8989 16.1143 16.1925 k = 0.3205 0.5551-0.0000 ( 1698 PWs) bands (ev): -29.1436 -29.1433 -10.1742 -10.1737 -8.7843 -8.7791 -8.7186 -8.7185 2.3171 2.3563 7.1567 7.1830 8.0576 8.1985 8.2718 8.6771 8.9604 9.0345 9.3286 9.4494 9.7795 10.0642 10.7990 11.2929 13.8431 14.0930 14.5617 14.5939 15.7122 15.7343 15.8081 15.8680 16.1692 16.2455 k = 0.3141 0.5440-0.0000 ( 1690 PWs) bands (ev): -29.1436 -29.1433 -10.1741 -10.1735 -8.7843 -8.7791 -8.7182 -8.7181 2.3135 2.3523 7.1316 7.1577 8.0837 8.2126 8.2908 8.6879 8.9511 9.0389 9.3101 9.4555 9.7955 10.0623 10.8061 11.3070 13.7923 14.0217 14.6228 14.6744 15.6590 15.7059 15.7941 15.8343 16.2425 16.3155 k = 0.3077 0.5329-0.0000 ( 1692 PWs) bands (ev): -29.1436 -29.1434 -10.1739 -10.1733 -8.7841 -8.7791 -8.7177 -8.7176 2.3081 2.3464 7.0992 7.1247 8.1170 8.2262 8.3208 8.7036 8.9402 9.0434 9.2887 9.4619 9.8157 10.0598 10.8166 11.3268 13.7313 13.9444 14.6976 14.7642 15.6003 15.6642 15.7799 15.8091 16.3238 16.3933 k = 0.3013 0.5218-0.0000 ( 1692 PWs) bands (ev): -29.1437 -29.1434 -10.1736 -10.1731 -8.7839 -8.7790 -8.7170 -8.7169 2.3010 2.3386 7.0615 7.0861 8.1546 8.2385 8.3601 8.7244 8.9289 9.0474 9.2670 9.4682 9.8386 10.0567 10.8309 11.3521 13.6645 13.8648 14.7815 14.8591 15.5386 15.6116 15.7678 15.7943 16.4084 16.4746 k = 0.2949 0.5107-0.0000 ( 1692 PWs) bands (ev): -29.1438 -29.1435 -10.1733 -10.1727 -8.7836 -8.7788 -8.7163 -8.7162 2.2919 2.3288 7.0205 7.0437 8.1935 8.2501 8.4048 8.7504 8.9190 9.0508 9.2473 9.4745 9.8627 10.0531 10.8493 11.3828 13.5944 13.7847 14.8714 14.9566 15.4760 15.5532 15.7584 15.7870 16.4937 16.5570 k = 0.2885 0.4996-0.0000 ( 1700 PWs) bands (ev): -29.1439 -29.1436 -10.1728 -10.1723 -8.7832 -8.7785 -8.7155 -8.7153 2.2808 2.3167 6.9778 6.9994 8.2309 8.2618 8.4504 8.7801 8.9132 9.0537 9.2325 9.4810 9.8870 10.0491 10.8722 11.4187 13.5227 13.7048 14.9652 15.0544 15.4150 15.4925 15.7515 15.7850 16.5782 16.6390 k = 0.2821 0.4885-0.0000 ( 1694 PWs) bands (ev): -29.1439 -29.1437 -10.1723 -10.1718 -8.7827 -8.7781 -8.7145 -8.7144 2.2675 2.3025 6.9348 6.9544 8.2639 8.2741 8.4928 8.8085 8.9182 9.0564 9.2254 9.4883 9.9103 10.0448 10.8999 11.4595 13.4504 13.6255 15.0607 15.1466 15.3615 15.4321 15.7473 15.7873 16.6609 16.7194 k = 0.2756 0.4774-0.0000 ( 1694 PWs) bands (ev): -29.1441 -29.1438 -10.1718 -10.1713 -8.7820 -8.7775 -8.7135 -8.7133 2.2521 2.2859 6.8924 6.9099 8.2871 8.2904 8.5275 8.8259 8.9438 9.0601 9.2286 9.4975 9.9321 10.0403 10.9324 11.5050 13.3780 13.5473 15.1545 15.2041 15.3443 15.3752 15.7458 15.7934 16.7407 16.7972 k = 0.2692 0.4663-0.0000 ( 1698 PWs) bands (ev): -29.1442 -29.1440 -10.1711 -10.1706 -8.7811 -8.7768 -8.7125 -8.7123 2.2344 2.2670 6.8516 6.8669 8.3007 8.3092 8.5513 8.8313 8.9881 9.0686 9.2439 9.5099 9.9518 10.0356 10.9700 11.5548 13.3062 13.4702 15.1827 15.2294 15.3388 15.4071 15.7471 15.8034 16.8168 16.8716 k = 0.2628 0.4552-0.0000 ( 1694 PWs) bands (ev): -29.1443 -29.1441 -10.1703 -10.1699 -8.7801 -8.7759 -8.7114 -8.7112 2.2143 2.2457 6.8130 6.8260 8.3145 8.3194 8.5625 8.8321 9.0274 9.0984 9.2699 9.5284 9.9692 10.0309 11.0123 11.6086 13.2351 13.3944 15.1312 15.2217 15.3857 15.5006 15.7518 15.8174 16.8883 16.9415 k = 0.2564 0.4441-0.0000 ( 1698 PWs) bands (ev): -29.1445 -29.1443 -10.1695 -10.1691 -8.7789 -8.7749 -8.7103 -8.7100 2.1920 2.2220 6.7771 6.7878 8.3211 8.3282 8.5618 8.8329 9.0425 9.1638 9.3022 9.5570 9.9842 10.0262 11.0593 11.6661 13.1650 13.3199 15.0747 15.1726 15.4735 15.5973 15.7619 15.8362 16.9544 17.0061 k = 0.2500 0.4330-0.0000 ( 1698 PWs) bands (ev): -29.1447 -29.1445 -10.1686 -10.1682 -8.7776 -8.7737 -8.7091 -8.7089 2.1674 2.1959 6.7442 6.7528 8.3149 8.3409 8.5518 8.8351 9.0491 9.2469 9.3337 9.6008 9.9970 10.0220 11.1107 11.7268 13.0961 13.2469 15.0178 15.1191 15.5634 15.6839 15.7856 15.8612 17.0146 17.0647 k = 0.2436 0.4219-0.0000 ( 1694 PWs) bands (ev): -29.1448 -29.1446 -10.1676 -10.1672 -8.7760 -8.7723 -8.7080 -8.7077 2.1405 2.1675 6.7148 6.7213 8.3016 8.3510 8.5364 8.8387 9.0550 9.3385 9.3590 9.6626 10.0077 10.0184 11.1661 11.7905 13.0285 13.1753 14.9620 15.0661 15.6477 15.7360 15.8457 15.8949 17.0680 17.1165 k = 0.2372 0.4108-0.0000 ( 1694 PWs) bands (ev): -29.1450 -29.1448 -10.1665 -10.1661 -8.7743 -8.7707 -8.7068 -8.7065 2.1114 2.1369 6.6891 6.6934 8.2823 8.3556 8.5204 8.8431 9.0625 9.3768 9.4352 9.7413 10.0162 10.0166 11.2250 11.8567 12.9623 13.1053 14.9076 15.0146 15.7214 15.7603 15.9345 15.9403 17.1143 17.1610 k = 0.2308 0.3997-0.0000 ( 1694 PWs) bands (ev): -29.1452 -29.1451 -10.1653 -10.1650 -8.7724 -8.7690 -8.7056 -8.7053 2.0801 2.1041 6.6671 6.6694 8.2581 8.3510 8.5095 8.8471 9.0730 9.3887 9.5348 9.8333 10.0162 10.0243 11.2870 11.9251 12.8976 13.0369 14.8549 14.9650 15.7787 15.7818 15.9993 16.0294 17.1530 17.1978 k = 0.2244 0.3886-0.0000 ( 1688 PWs) bands (ev): -29.1455 -29.1453 -10.1641 -10.1638 -8.7702 -8.7670 -8.7044 -8.7042 2.0468 2.0692 6.6489 6.6493 8.2298 8.3345 8.5074 8.8500 9.0873 9.3968 9.6340 9.9338 10.0208 10.0321 11.3518 11.9953 12.8345 12.9702 14.8039 14.9175 15.7970 15.8307 16.0694 16.1237 17.1841 17.2265 k = 0.2179 0.3775-0.0000 ( 1688 PWs) bands (ev): -29.1457 -29.1455 -10.1628 -10.1625 -8.7679 -8.7649 -8.7032 -8.7030 2.0116 2.0325 6.6332 6.6346 8.1984 8.3074 8.5137 8.8509 9.1058 9.4027 9.7277 10.0192 10.0346 10.0614 11.4189 12.0670 12.7730 12.9052 14.7548 14.8720 15.8169 15.8725 16.1450 16.2151 17.2074 17.2471 k = 0.2115 0.3664-0.0000 ( 1688 PWs) bands (ev): -29.1459 -29.1458 -10.1614 -10.1611 -8.7655 -8.7626 -8.7020 -8.7018 1.9746 1.9939 6.6210 6.6242 8.1646 8.2732 8.5254 8.8497 9.1285 9.4075 9.8057 10.0334 10.0670 10.1666 11.4880 12.1397 12.7134 12.8421 14.7074 14.8286 15.8389 15.9112 16.2217 16.3026 17.2229 17.2597 k = 0.2051 0.3553-0.0000 ( 1688 PWs) bands (ev): -29.1462 -29.1461 -10.1599 -10.1597 -8.7628 -8.7601 -8.7009 -8.7007 1.9360 1.9538 6.6127 6.6176 8.1291 8.2346 8.5400 8.8462 9.1553 9.4120 9.8569 10.0380 10.1289 10.2850 11.5588 12.2129 12.6555 12.7809 14.6617 14.7871 15.8633 15.9492 16.2963 16.3850 17.2308 17.2642 k = 0.1987 0.3442-0.0000 ( 1690 PWs) bands (ev): -29.1465 -29.1463 -10.1584 -10.1582 -8.7600 -8.7574 -8.6997 -8.6996 1.8959 1.9123 6.6082 6.6147 8.0923 8.1936 8.5559 8.8408 9.1856 9.4167 9.8826 10.0414 10.2187 10.4075 11.6308 12.2860 12.5997 12.7222 14.6176 14.7475 15.8902 15.9876 16.3667 16.4616 17.2309 17.2609 k = 0.1923 0.3331-0.0000 ( 1692 PWs) bands (ev): -29.1468 -29.1466 -10.1568 -10.1566 -8.7570 -8.7546 -8.6986 -8.6985 1.8546 1.8696 6.6074 6.6153 8.0546 8.1512 8.5720 8.8336 9.2190 9.4222 9.8935 10.0443 10.3250 10.5326 11.7038 12.3578 12.5460 12.6668 14.5747 14.7095 15.9197 16.0271 16.4315 16.5317 17.2228 17.2496 k = 0.1859 0.3220-0.0000 ( 1680 PWs) bands (ev): -29.1470 -29.1469 -10.1552 -10.1550 -8.7539 -8.7516 -8.6975 -8.6974 1.8122 1.8258 6.6100 6.6194 8.0165 8.1082 8.5875 8.8250 9.2551 9.4287 9.8974 10.0470 10.4401 10.6593 11.7775 12.4251 12.4946 12.6176 14.5331 14.6728 15.9521 16.0682 16.4896 16.5946 17.2055 17.2298 k = 0.1795 0.3109-0.0000 ( 1672 PWs) bands (ev): -29.1473 -29.1472 -10.1535 -10.1534 -8.7506 -8.7485 -8.6965 -8.6964 1.7690 1.7813 6.6159 6.6266 7.9783 8.0650 8.6021 8.8152 9.2933 9.4367 9.8979 10.0498 10.5597 10.7870 11.8514 12.4459 12.4725 12.5898 14.4924 14.6373 15.9872 16.1108 16.5403 16.6500 17.1771 17.2008 k = 0.1731 0.2998-0.0000 ( 1672 PWs) bands (ev): -29.1476 -29.1475 -10.1518 -10.1517 -8.7472 -8.7452 -8.6954 -8.6954 1.7252 1.7362 6.6248 6.6368 7.9402 8.0221 8.6151 8.8044 9.3334 9.4465 9.8969 10.0526 10.6819 10.9149 11.9249 12.4004 12.4644 12.6187 14.4524 14.6025 16.0249 16.1549 16.5829 16.6975 17.1353 17.1618 k = 0.1667 0.2887-0.0000 ( 1682 PWs) bands (ev): -29.1479 -29.1478 -10.1501 -10.1500 -8.7437 -8.7419 -8.6944 -8.6944 1.6809 1.6908 6.6367 6.6497 7.9026 7.9798 8.6265 8.7929 9.3748 9.4581 9.8953 10.0557 10.8055 11.0425 11.9968 12.3593 12.4247 12.6801 14.4128 14.5682 16.0650 16.2001 16.6166 16.7372 17.0793 17.1129 k = 0.1603 0.2776-0.0000 ( 1678 PWs) bands (ev): -29.1482 -29.1481 -10.1484 -10.1482 -8.7401 -8.7384 -8.6934 -8.6934 1.6364 1.6452 6.6511 6.6652 7.8655 7.9382 8.6359 8.7807 9.4173 9.4717 9.8935 10.0591 10.9296 11.1690 12.0640 12.3258 12.3795 12.7477 14.3733 14.5339 16.1071 16.2456 16.6410 16.7690 17.0116 17.0567 k = 0.1538 0.2665-0.0000 ( 1676 PWs) bands (ev): -29.1485 -29.1485 -10.1466 -10.1465 -8.7365 -8.7349 -8.6925 -8.6925 1.5918 1.5997 6.6678 6.6828 7.8293 7.8976 8.6432 8.7681 9.4606 9.4874 9.8921 10.0628 11.0536 11.2939 12.1178 12.3084 12.3341 12.8160 14.3337 14.4993 16.1503 16.2897 16.6554 16.7935 16.9379 16.9985 k = 0.1474 0.2554-0.0000 ( 1672 PWs) bands (ev): -29.1488 -29.1488 -10.1448 -10.1447 -8.7328 -8.7313 -8.6916 -8.6915 1.5475 1.5544 6.6865 6.7023 7.7942 7.8582 8.6483 8.7550 9.5041 9.5051 9.8912 10.0670 11.1771 11.4165 12.1411 12.2898 12.3245 12.8834 14.2937 14.4640 16.1926 16.3294 16.6600 16.8106 16.8656 16.9455 k = 0.1410 0.2443-0.0000 ( 1676 PWs) bands (ev): -29.1492 -29.1491 -10.1430 -10.1430 -8.7290 -8.7277 -8.6906 -8.6906 1.5036 1.5096 6.7070 6.7234 7.7604 7.8202 8.6514 8.7417 9.5246 9.5476 9.8912 10.0715 11.2994 11.5361 12.1323 12.2470 12.3755 12.9490 14.2531 14.4276 16.2313 16.3590 16.6582 16.7948 16.8276 16.9044 k = 0.1346 0.2332-0.0000 ( 1672 PWs) bands (ev): -29.1495 -29.1494 -10.1413 -10.1412 -8.7253 -8.7241 -8.6897 -8.6896 1.4602 1.4654 6.7289 6.7458 7.7280 7.7838 8.6524 8.7283 9.5459 9.5905 9.8925 10.0765 11.4202 11.6521 12.1097 12.2062 12.4433 13.0125 14.2117 14.3898 16.2610 16.3698 16.6591 16.7450 16.8335 16.8778 k = 0.1282 0.2221-0.0000 ( 1672 PWs) bands (ev): -29.1498 -29.1497 -10.1395 -10.1395 -8.7216 -8.7206 -8.6888 -8.6887 1.4177 1.4221 6.7518 6.7691 7.6972 7.7490 8.6516 8.7147 9.5686 9.6321 9.8954 10.0819 11.5391 11.7637 12.0837 12.1673 12.5173 13.0732 14.1695 14.3502 16.2752 16.3562 16.6714 16.7152 16.8386 16.8655 k = 0.1218 0.2110-0.0000 ( 1672 PWs) bands (ev): -29.1501 -29.1501 -10.1378 -10.1378 -8.7180 -8.7170 -8.6879 -8.6878 1.3760 1.3799 6.7756 6.7929 7.6684 7.7162 8.6491 8.7012 9.5924 9.6718 9.9005 10.0878 11.6557 11.8693 12.0591 12.1306 12.5938 13.1308 14.1263 14.3087 16.2691 16.3223 16.6925 16.7096 16.8448 16.8675 k = 0.1154 0.1999-0.0000 ( 1676 PWs) bands (ev): -29.1504 -29.1504 -10.1361 -10.1361 -8.7145 -8.7136 -8.6870 -8.6868 1.3355 1.3388 6.7996 6.8168 7.6415 7.6855 8.6451 8.6877 9.6170 9.7084 9.9085 10.0942 11.7697 11.9613 12.0445 12.0961 12.6710 13.1850 14.0821 14.2652 16.2452 16.2778 16.7109 16.7206 16.8588 16.8871 k = 0.1090 0.1887-0.0000 ( 1672 PWs) bands (ev): -29.1507 -29.1507 -10.1345 -10.1345 -8.7111 -8.7103 -8.6860 -8.6858 1.2963 1.2990 6.8237 6.8405 7.6169 7.6569 8.6399 8.6745 9.6420 9.7408 9.9204 10.1010 11.8807 11.9887 12.0639 12.0915 12.7477 13.2352 14.0370 14.2195 16.2107 16.2301 16.7188 16.7322 16.8903 16.9255 k = 0.1026 0.1776-0.0000 ( 1672 PWs) bands (ev): -29.1510 -29.1510 -10.1329 -10.1329 -8.7078 -8.7072 -8.6849 -8.6848 1.2585 1.2608 6.8475 6.8636 7.5947 7.6308 8.6337 8.6615 9.6670 9.7680 9.9370 10.1082 11.9733 11.9884 12.0340 12.1783 12.8229 13.2812 13.9912 14.1717 16.1723 16.1834 16.7170 16.7343 16.9430 16.9778 k = 0.0962 0.1665-0.0000 ( 1678 PWs) bands (ev): -29.1513 -29.1513 -10.1314 -10.1314 -8.7048 -8.7043 -8.6838 -8.6836 1.2223 1.2242 6.8704 6.8857 7.5751 7.6073 8.6267 8.6488 9.6918 9.7895 9.9583 10.1158 11.9548 12.0065 12.0927 12.2656 12.8957 13.3226 13.9449 14.1220 16.1343 16.1402 16.7092 16.7278 17.0115 17.0375 k = 0.0897 0.1554-0.0000 ( 1676 PWs) bands (ev): -29.1515 -29.1515 -10.1299 -10.1299 -8.7021 -8.7016 -8.6825 -8.6824 1.1878 1.1893 6.8922 6.9064 7.5582 7.5865 8.6192 8.6365 9.7159 9.8059 9.9835 10.1239 11.9374 11.9814 12.1933 12.3493 12.9652 13.3591 13.8983 14.0707 16.0991 16.1016 16.6980 16.7162 17.0874 17.0970 k = 0.0833 0.1443-0.0000 ( 1676 PWs) bands (ev): -29.1518 -29.1518 -10.1285 -10.1285 -8.6997 -8.6993 -8.6811 -8.6810 1.1551 1.1564 6.9126 6.9253 7.5441 7.5686 8.6114 8.6248 9.7390 9.8184 10.0112 10.1323 11.9217 11.9588 12.2900 12.4290 13.0307 13.3905 13.8519 14.0181 16.0677 16.0681 16.6849 16.7020 17.1278 17.1315 k = 0.0769 0.1332-0.0000 ( 1674 PWs) bands (ev): -29.1520 -29.1520 -10.1272 -10.1272 -8.6975 -8.6972 -8.6796 -8.6795 1.1245 1.1254 6.9311 6.9423 7.5329 7.5536 8.6034 8.6136 9.7608 9.8282 10.0396 10.1410 11.9079 11.9387 12.3827 12.5048 13.0914 13.4167 13.8058 13.9647 16.0399 16.0408 16.6708 16.6862 17.0723 17.0843 k = 0.0705 0.1221-0.0000 ( 1674 PWs) bands (ev): -29.1523 -29.1522 -10.1260 -10.1260 -8.6958 -8.6955 -8.6779 -8.6779 1.0958 1.0965 6.9476 6.9571 7.5246 7.5415 8.5954 8.6030 9.7811 9.8363 10.0678 10.1500 11.8960 11.9209 12.4712 12.5767 13.1467 13.4376 13.7606 13.9108 16.0166 16.0182 16.6563 16.6699 17.0012 17.0160 k = 0.0641 0.1110-0.0000 ( 1674 PWs) bands (ev): -29.1525 -29.1525 -10.1248 -10.1248 -8.6943 -8.6941 -8.6762 -8.6762 1.0693 1.0699 6.9619 6.9696 7.5188 7.5323 8.5876 8.5931 9.7997 9.8432 10.0946 10.1592 11.8859 11.9055 12.5555 12.6449 13.1964 13.4533 13.7166 13.8570 15.9980 15.9999 16.6418 16.6536 16.9324 16.9464 k = 0.0577 0.0999-0.0000 ( 1674 PWs) bands (ev): -29.1527 -29.1527 -10.1238 -10.1238 -8.6931 -8.6929 -8.6744 -8.6744 1.0451 1.0455 6.9739 6.9799 7.5155 7.5258 8.5801 8.5840 9.8163 9.8494 10.1196 10.1685 11.8774 11.8924 12.6353 12.7095 13.2402 13.4640 13.6743 13.8037 15.9835 15.9854 16.6277 16.6376 16.8679 16.8802 k = 0.0513 0.0888-0.0000 ( 1673 PWs) bands (ev): -29.1528 -29.1528 -10.1228 -10.1228 -8.6921 -8.6920 -8.6727 -8.6727 1.0232 1.0235 6.9836 6.9881 7.5142 7.5218 8.5730 8.5757 9.8310 9.8550 10.1423 10.1777 11.8705 11.8814 12.7106 12.7705 13.2783 13.4700 13.6340 13.7513 15.9726 15.9742 16.6142 16.6224 16.8086 16.8189 k = 0.0449 0.0777-0.0000 ( 1673 PWs) bands (ev): -29.1530 -29.1530 -10.1219 -10.1219 -8.6913 -8.6913 -8.6711 -8.6711 1.0038 1.0039 6.9913 6.9945 7.5145 7.5197 8.5665 8.5683 9.8436 9.8601 10.1624 10.1867 11.8649 11.8725 12.7812 12.8279 13.3108 13.4714 13.5963 13.7004 15.9645 15.9658 16.6014 16.6079 16.7552 16.7634 k = 0.0385 0.0666-0.0000 ( 1677 PWs) bands (ev): -29.1531 -29.1531 -10.1212 -10.1212 -8.6907 -8.6907 -8.6696 -8.6696 0.9867 0.9869 6.9971 6.9992 7.5159 7.5193 8.5607 8.5618 9.8542 9.8648 10.1797 10.1954 11.8604 11.8654 12.8468 12.8814 13.3382 13.4686 13.5618 13.6513 15.9589 15.9598 16.5894 16.5945 16.7083 16.7145 k = 0.0321 0.0555-0.0000 ( 1677 PWs) bands (ev): -29.1533 -29.1533 -10.1206 -10.1206 -8.6902 -8.6902 -8.6683 -8.6683 0.9722 0.9723 7.0014 7.0026 7.5180 7.5200 8.5556 8.5562 9.8628 9.8691 10.1941 10.2034 11.8569 11.8599 12.9068 12.9307 13.3611 13.4617 13.5316 13.6046 15.9550 15.9557 16.5782 16.5818 16.6687 16.6731 k = 0.0256 0.0444-0.0000 ( 1681 PWs) bands (ev): -29.1534 -29.1534 -10.1200 -10.1200 -8.6899 -8.6898 -8.6672 -8.6672 0.9603 0.9604 7.0043 7.0050 7.5203 7.5214 8.5513 8.5516 9.8695 9.8728 10.2057 10.2105 11.8542 11.8558 12.9604 12.9752 13.3800 13.4510 13.5067 13.5609 15.9525 15.9529 16.5677 16.5699 16.6371 16.6398 k = 0.0192 0.0333-0.0000 ( 1681 PWs) bands (ev): -29.1534 -29.1534 -10.1196 -10.1196 -8.6896 -8.6896 -8.6663 -8.6663 0.9510 0.9510 7.0063 7.0065 7.5226 7.5230 8.5479 8.5481 9.8745 9.8759 10.2145 10.2165 11.8523 11.8529 13.0061 13.0137 13.3955 13.4378 13.4877 13.5216 15.9510 15.9512 16.5576 16.5587 16.6140 16.6153 k = 0.0128 0.0222-0.0000 ( 1693 PWs) bands (ev): -29.1535 -29.1535 -10.1193 -10.1193 -8.6894 -8.6894 -8.6657 -8.6657 0.9443 0.9443 7.0075 7.0075 7.5243 7.5244 8.5455 8.5455 9.8778 9.8782 10.2205 10.2211 11.8509 11.8511 13.0418 13.0445 13.4078 13.4258 13.4734 13.4885 15.9501 15.9501 16.5485 16.5489 16.5990 16.5994 k = 0.0064 0.0111-0.0000 ( 1697 PWs) bands (ev): -29.1536 -29.1536 -10.1192 -10.1192 -8.6893 -8.6893 -8.6653 -8.6653 0.9403 0.9403 7.0081 7.0081 7.5254 7.5255 8.5440 8.5440 9.8797 9.8798 10.2240 10.2241 11.8500 11.8501 13.0647 13.0651 13.4157 13.4189 13.4629 13.4657 15.9496 15.9496 16.5420 16.5420 16.5909 16.5909 k = 0.0000 0.0000 0.0000 ( 1701 PWs) bands (ev): -29.1536 -29.1536 -10.1191 -10.1191 -8.6892 -8.6892 -8.6651 -8.6651 0.9390 0.9390 7.0083 7.0083 7.5258 7.5258 8.5434 8.5434 9.8803 9.8803 10.2251 10.2251 11.8497 11.8497 13.0725 13.0725 13.4178 13.4178 13.4581 13.4581 15.9495 15.9495 16.5396 16.5396 16.5883 16.5883 k = 0.0000 0.0000 0.0000 ( 1701 PWs) bands (ev): -29.1536 -29.1536 -10.1191 -10.1191 -8.6892 -8.6892 -8.6651 -8.6651 0.9390 0.9390 7.0083 7.0083 7.5258 7.5258 8.5434 8.5434 9.8803 9.8803 10.2251 10.2251 11.8497 11.8497 13.0725 13.0725 13.4178 13.4178 13.4581 13.4581 15.9495 15.9495 16.5396 16.5396 16.5883 16.5883 k = 0.0000 0.0000 0.0129 ( 1701 PWs) bands (ev): -29.1536 -29.1536 -10.1192 -10.1192 -8.6895 -8.6895 -8.6651 -8.6651 0.9401 0.9401 7.0050 7.0109 7.5255 7.5255 8.5438 8.5438 9.8796 9.8796 10.2143 10.2345 11.8459 11.8459 13.0750 13.0750 13.4180 13.4180 13.4504 13.4682 15.9516 15.9516 16.5392 16.5392 16.5737 16.5974 k = 0.0000 0.0000 0.0259 ( 1689 PWs) bands (ev): -29.1535 -29.1535 -10.1194 -10.1194 -8.6902 -8.6902 -8.6651 -8.6650 0.9433 0.9433 7.0012 7.0130 7.5247 7.5247 8.5448 8.5448 9.8773 9.8773 10.2022 10.2425 11.8344 11.8344 13.0823 13.0823 13.4188 13.4188 13.4451 13.4804 15.9577 15.9577 16.5382 16.5382 16.5542 16.6007 k = 0.0000 0.0000 0.0388 ( 1683 PWs) bands (ev): -29.1534 -29.1534 -10.1198 -10.1198 -8.6914 -8.6914 -8.6649 -8.6649 0.9487 0.9487 6.9969 7.0145 7.5233 7.5233 8.5465 8.5465 9.8734 9.8734 10.1890 10.2488 11.8156 11.8156 13.0945 13.0945 13.4202 13.4202 13.4423 13.4949 15.9676 15.9676 16.5303 16.5365 16.5365 16.5981 k = 0.0000 0.0000 0.0517 ( 1683 PWs) bands (ev): -29.1533 -29.1533 -10.1204 -10.1204 -8.6930 -8.6930 -8.6647 -8.6646 0.9562 0.9562 6.9921 7.0153 7.5213 7.5213 8.5488 8.5488 9.8680 9.8680 10.1746 10.2536 11.7899 11.7899 13.1114 13.1114 13.4223 13.4223 13.4420 13.5115 15.9809 15.9809 16.5029 16.5342 16.5342 16.5899 k = 0.0000 0.0000 0.0646 ( 1683 PWs) bands (ev): -29.1532 -29.1532 -10.1211 -10.1211 -8.6950 -8.6950 -8.6645 -8.6644 0.9659 0.9659 6.9868 7.0156 7.5188 7.5188 8.5516 8.5516 9.8609 9.8609 10.1592 10.2566 11.7580 11.7580 13.1330 13.1330 13.4252 13.4252 13.4444 13.5303 15.9973 15.9973 16.4727 16.5313 16.5313 16.5766 k = 0.0000 0.0000 0.0776 ( 1677 PWs) bands (ev): -29.1530 -29.1530 -10.1220 -10.1220 -8.6975 -8.6975 -8.6642 -8.6641 0.9776 0.9776 6.9812 7.0152 7.5159 7.5159 8.5548 8.5548 9.8520 9.8520 10.1428 10.2578 11.7207 11.7207 13.1591 13.1591 13.4293 13.4293 13.4495 13.5512 16.0162 16.0162 16.4405 16.5280 16.5280 16.5587 k = 0.0000 0.0000 0.0905 ( 1677 PWs) bands (ev): -29.1528 -29.1528 -10.1230 -10.1230 -8.7004 -8.7004 -8.6639 -8.6637 0.9912 0.9912 6.9751 7.0142 7.5124 7.5124 8.5584 8.5584 9.8413 9.8413 10.1256 10.2573 11.6787 11.6787 13.1897 13.1897 13.4346 13.4346 13.4575 13.5741 16.0370 16.0370 16.4068 16.5243 16.5243 16.5370 k = 0.0000 0.0000 0.1034 ( 1665 PWs) bands (ev): -29.1525 -29.1525 -10.1242 -10.1242 -8.7037 -8.7037 -8.6635 -8.6633 1.0069 1.0069 6.9686 7.0127 7.5086 7.5086 8.5621 8.5621 9.8286 9.8286 10.1077 10.2548 11.6331 11.6331 13.2245 13.2245 13.4414 13.4414 13.4685 13.5992 16.0591 16.0591 16.3725 16.5122 16.5203 16.5203 k = 0.0000 0.0000 0.1163 ( 1665 PWs) bands (ev): -29.1523 -29.1523 -10.1255 -10.1255 -8.7074 -8.7074 -8.6630 -8.6628 1.0244 1.0244 6.9619 7.0105 7.5043 7.5043 8.5658 8.5658 9.8139 9.8139 10.0891 10.2505 11.5847 11.5847 13.2633 13.2633 13.4501 13.4501 13.4825 13.6264 16.0821 16.0821 16.3378 16.4851 16.5162 16.5162 k = 0.0000 0.0000 0.1293 ( 1659 PWs) bands (ev): -29.1520 -29.1520 -10.1270 -10.1270 -8.7114 -8.7114 -8.6625 -8.6623 1.0437 1.0437 6.9550 7.0078 7.4997 7.4997 8.5694 8.5694 9.7970 9.7970 10.0699 10.2442 11.5345 11.5345 13.3058 13.3058 13.4612 13.4612 13.4996 13.6557 16.1053 16.1053 16.3033 16.4562 16.5118 16.5118 k = 0.0000 0.0000 0.1422 ( 1659 PWs) bands (ev): -29.1517 -29.1517 -10.1286 -10.1286 -8.7157 -8.7157 -8.6620 -8.6618 1.0647 1.0647 6.9478 7.0046 7.4948 7.4948 8.5726 8.5726 9.7779 9.7779 10.0503 10.2361 11.4836 11.4836 13.3512 13.3512 13.4753 13.4753 13.5199 13.6871 16.1284 16.1284 16.2693 16.4263 16.5074 16.5074 k = 0.0000 0.0000 0.1551 ( 1671 PWs) bands (ev): -29.1514 -29.1514 -10.1303 -10.1303 -8.7203 -8.7203 -8.6614 -8.6612 1.0873 1.0873 6.9404 7.0008 7.4896 7.4896 8.5753 8.5753 9.7564 9.7564 10.0302 10.2262 11.4328 11.4328 13.3982 13.3982 13.4940 13.4940 13.5435 13.7206 16.1508 16.1508 16.2360 16.3957 16.5031 16.5031 k = 0.0000 0.0000 0.1681 ( 1671 PWs) bands (ev): -29.1511 -29.1511 -10.1322 -10.1322 -8.7251 -8.7251 -8.6608 -8.6606 1.1115 1.1115 6.9330 6.9966 7.4843 7.4843 8.5771 8.5771 9.7325 9.7325 10.0098 10.2144 11.3830 11.3830 13.4431 13.4431 13.5210 13.5210 13.5703 13.7563 16.1724 16.1724 16.2036 16.3650 16.4987 16.4987 k = 0.0000 0.0000 0.1810 ( 1677 PWs) bands (ev): -29.1508 -29.1508 -10.1341 -10.1341 -8.7301 -8.7301 -8.6602 -8.6599 1.1370 1.1370 6.9255 6.9920 7.4787 7.4787 8.5780 8.5780 9.7062 9.7062 9.9892 10.2009 11.3351 11.3351 13.4809 13.4809 13.5612 13.5612 13.6004 13.7941 16.1725 16.1928 16.1928 16.3344 16.4945 16.4945 k = 0.0000 0.0000 0.1939 ( 1677 PWs) bands (ev): -29.1504 -29.1504 -10.1361 -10.1361 -8.7353 -8.7353 -8.6595 -8.6592 1.1639 1.1639 6.9180 6.9869 7.4730 7.4730 8.5775 8.5775 9.6776 9.6776 9.9685 10.1858 11.2897 11.2897 13.5113 13.5113 13.6151 13.6151 13.6339 13.8341 16.1425 16.2119 16.2119 16.3043 16.4904 16.4904 k = 0.0000 0.0000 0.2068 ( 1677 PWs) bands (ev): -29.1500 -29.1500 -10.1383 -10.1383 -8.7407 -8.7407 -8.6588 -8.6586 1.1918 1.1918 6.9106 6.9815 7.4673 7.4673 8.5756 8.5756 9.6468 9.6468 9.9478 10.1691 11.2475 11.2475 13.5388 13.5388 13.6706 13.6779 13.6779 13.8763 16.1139 16.2293 16.2293 16.2749 16.4864 16.4864 k = 0.0000 0.0000 0.2198 ( 1671 PWs) bands (ev): -29.1496 -29.1496 -10.1405 -10.1405 -8.7462 -8.7462 -8.6581 -8.6578 1.2208 1.2208 6.9032 6.9757 7.4616 7.4616 8.5719 8.5719 9.6141 9.6141 9.9271 10.1511 11.2090 11.2090 13.5665 13.5665 13.7105 13.7466 13.7466 13.9206 16.0866 16.2452 16.2452 16.2463 16.4826 16.4826 k = 0.0000 0.0000 0.2327 ( 1671 PWs) bands (ev): -29.1492 -29.1492 -10.1428 -10.1428 -8.7517 -8.7517 -8.6574 -8.6571 1.2507 1.2507 6.8960 6.9696 7.4558 7.4558 8.5662 8.5662 9.5796 9.5796 9.9066 10.1318 11.1746 11.1746 13.5955 13.5955 13.7537 13.8197 13.8197 13.9671 16.0608 16.2187 16.2592 16.2592 16.4789 16.4789 k = 0.0000 0.0000 0.2456 ( 1671 PWs) bands (ev): -29.1488 -29.1488 -10.1451 -10.1451 -8.7573 -8.7573 -8.6567 -8.6564 1.2813 1.2813 6.8889 6.9633 7.4501 7.4501 8.5583 8.5583 9.5438 9.5438 9.8864 10.1113 11.1446 11.1446 13.6265 13.6265 13.8000 13.8967 13.8967 14.0156 16.0363 16.1922 16.2715 16.2715 16.4754 16.4754 k = 0.0000 0.0000 0.2585 ( 1671 PWs) bands (ev): -29.1484 -29.1484 -10.1475 -10.1475 -8.7629 -8.7629 -8.6559 -8.6556 1.3124 1.3124 6.8821 6.9568 7.4445 7.4445 8.5481 8.5481 9.5071 9.5071 9.8665 10.0899 11.1190 11.1190 13.6595 13.6595 13.8494 13.9769 13.9769 14.0663 16.0132 16.1668 16.2820 16.2820 16.4720 16.4720 k = 0.0000 0.0000 0.2715 ( 1671 PWs) bands (ev): -29.1480 -29.1480 -10.1499 -10.1499 -8.7685 -8.7685 -8.6552 -8.6549 1.3440 1.3440 6.8755 6.9501 7.4390 7.4390 8.5353 8.5353 9.4700 9.4700 9.8471 10.0677 11.0980 11.0980 13.6947 13.6947 13.9018 14.0601 14.0601 14.1189 15.9915 16.1427 16.2907 16.2907 16.4687 16.4687 k = 0.0000 0.0000 0.2844 ( 1683 PWs) bands (ev): -29.1476 -29.1476 -10.1523 -10.1523 -8.7740 -8.7740 -8.6544 -8.6541 1.3757 1.3757 6.8693 6.9432 7.4337 7.4337 8.5199 8.5199 9.4330 9.4330 9.8283 10.0448 11.0813 11.0813 13.7320 13.7320 13.9570 14.1460 14.1460 14.1735 15.9711 16.1197 16.2975 16.2975 16.4655 16.4655 k = 0.0000 0.0000 0.2973 ( 1683 PWs) bands (ev): -29.1472 -29.1472 -10.1547 -10.1547 -8.7794 -8.7794 -8.6537 -8.6534 1.4075 1.4075 6.8633 6.9363 7.4285 7.4285 8.5020 8.5020 9.3965 9.3965 9.8101 10.0215 11.0689 11.0689 13.7714 13.7714 14.0149 14.2300 14.2341 14.2341 15.9521 16.0979 16.3026 16.3026 16.4623 16.4623 k = 0.0000 0.0000 0.3103 ( 1695 PWs) bands (ev): -29.1469 -29.1469 -10.1571 -10.1571 -8.7847 -8.7847 -8.6529 -8.6527 1.4391 1.4391 6.8577 6.9293 7.4236 7.4236 8.4815 8.4815 9.3610 9.3610 9.7927 9.9979 11.0604 11.0604 13.8126 13.8126 14.0754 14.2883 14.3243 14.3243 15.9342 16.0774 16.3059 16.3059 16.4591 16.4591 k = 0.0000 0.0000 0.3232 ( 1695 PWs) bands (ev): -29.1465 -29.1465 -10.1594 -10.1594 -8.7898 -8.7898 -8.6522 -8.6519 1.4704 1.4704 6.8526 6.9223 7.4188 7.4188 8.4587 8.4587 9.3270 9.3270 9.7762 9.9741 11.0556 11.0556 13.8556 13.8556 14.1384 14.3482 14.4161 14.4161 15.9175 16.0581 16.3075 16.3075 16.4558 16.4558 k = 0.0000 0.0000 0.3361 ( 1689 PWs) bands (ev): -29.1461 -29.1461 -10.1618 -10.1618 -8.7948 -8.7948 -8.6515 -8.6513 1.5012 1.5012 6.8478 6.9153 7.4144 7.4144 8.4339 8.4339 9.2947 9.2947 9.7606 9.9504 11.0540 11.0540 13.9001 13.9001 14.2036 14.4096 14.5090 14.5090 15.9020 16.0399 16.3073 16.3073 16.4524 16.4524 k = 0.0000 0.0000 0.3490 ( 1677 PWs) bands (ev): -29.1457 -29.1457 -10.1640 -10.1640 -8.7995 -8.7995 -8.6508 -8.6506 1.5312 1.5312 6.8434 6.9084 7.4101 7.4101 8.4073 8.4073 9.2643 9.2643 9.7461 9.9269 11.0554 11.0554 13.9457 13.9457 14.2710 14.4724 14.6028 14.6028 15.8875 16.0229 16.3055 16.3055 16.4487 16.4487 k = 0.0000 0.0000 0.3620 ( 1677 PWs) bands (ev): -29.1453 -29.1453 -10.1662 -10.1662 -8.8041 -8.8041 -8.6502 -8.6499 1.5603 1.5603 6.8396 6.9015 7.4062 7.4062 8.3795 8.3795 9.2361 9.2361 9.7328 9.9037 11.0591 11.0591 13.9923 13.9923 14.3401 14.5362 14.6967 14.6967 15.8740 16.0069 16.3020 16.3020 16.4446 16.4446 k = 0.0000 0.0000 0.3749 ( 1677 PWs) bands (ev): -29.1450 -29.1450 -10.1683 -10.1683 -8.8083 -8.8083 -8.6496 -8.6493 1.5883 1.5883 6.8362 6.8948 7.4025 7.4025 8.3509 8.3509 9.2101 9.2101 9.7206 9.8811 11.0649 11.0649 14.0394 14.0394 14.4109 14.6008 14.7904 14.7904 15.8613 15.9919 16.2968 16.2968 16.4399 16.4399 k = 0.0000 0.0000 0.3878 ( 1671 PWs) bands (ev): -29.1447 -29.1447 -10.1703 -10.1703 -8.8124 -8.8124 -8.6490 -8.6488 1.6149 1.6149 6.8332 6.8883 7.3991 7.3991 8.3221 8.3221 9.1864 9.1864 9.7098 9.8591 11.0722 11.0722 14.0865 14.0865 14.4830 14.6659 14.8830 14.8830 15.8496 15.9776 16.2901 16.2901 16.4344 16.4344 k = 0.0000 0.0000 0.4007 ( 1671 PWs) bands (ev): -29.1444 -29.1444 -10.1721 -10.1721 -8.8161 -8.8161 -8.6484 -8.6482 1.6400 1.6400 6.8308 6.8819 7.3960 7.3960 8.2936 8.2936 9.1650 9.1650 9.7003 9.8378 11.0807 11.0807 14.1333 14.1333 14.5561 14.7310 14.9740 14.9740 15.8385 15.9641 16.2816 16.2816 16.4278 16.4278 k = 0.0000 0.0000 0.4137 ( 1671 PWs) bands (ev): -29.1441 -29.1441 -10.1739 -10.1739 -8.8195 -8.8195 -8.6479 -8.6477 1.6633 1.6633 6.8289 6.8757 7.3932 7.3932 8.2660 8.2660 9.1457 9.1457 9.6922 9.8175 11.0898 11.0898 14.1792 14.1792 14.6297 14.7957 15.0623 15.0623 15.8282 15.9509 16.2716 16.2716 16.4197 16.4197 k = 0.0000 0.0000 0.4266 ( 1659 PWs) bands (ev): -29.1438 -29.1438 -10.1754 -10.1754 -8.8226 -8.8226 -8.6475 -8.6473 1.6848 1.6848 6.8275 6.8698 7.3906 7.3906 8.2397 8.2397 9.1287 9.1287 9.6857 9.7982 11.0993 11.0993 14.2234 14.2234 14.7034 14.8591 15.1471 15.1471 15.8185 15.9377 16.2601 16.2601 16.4097 16.4097 k = 0.0000 0.0000 0.4395 ( 1659 PWs) bands (ev): -29.1436 -29.1436 -10.1769 -10.1769 -8.8254 -8.8254 -8.6470 -8.6469 1.7042 1.7042 6.8266 6.8642 7.3884 7.3884 8.2153 8.2153 9.1138 9.1138 9.6807 9.7800 11.1087 11.1087 14.2653 14.2653 14.7764 14.9204 15.2272 15.2272 15.8095 15.9240 16.2473 16.2473 16.3975 16.3975 k = 0.0000 0.0000 0.4525 ( 1653 PWs) bands (ev): -29.1434 -29.1434 -10.1781 -10.1781 -8.8278 -8.8278 -8.6467 -8.6465 1.7213 1.7213 6.8263 6.8589 7.3865 7.3865 8.1933 8.1933 9.1010 9.1010 9.6772 9.7630 11.1176 11.1176 14.3042 14.3042 14.8478 14.9784 15.3013 15.3013 15.8012 15.9091 16.2336 16.2336 16.3831 16.3831 k = 0.0000 0.0000 0.4654 ( 1659 PWs) bands (ev): -29.1432 -29.1432 -10.1792 -10.1792 -8.8299 -8.8299 -8.6464 -8.6463 1.7361 1.7361 6.8264 6.8539 7.3848 7.3848 8.1739 8.1739 9.0902 9.0902 9.6754 9.7474 11.1257 11.1257 14.3392 14.3392 14.9165 15.0316 15.3681 15.3681 15.7937 15.8925 16.2196 16.2196 16.3673 16.3673 k = 0.0000 0.0000 0.4783 ( 1658 PWs) bands (ev): -29.1431 -29.1431 -10.1801 -10.1801 -8.8316 -8.8316 -8.6461 -8.6460 1.7484 1.7484 6.8271 6.8492 7.3835 7.3835 8.1577 8.1577 9.0814 9.0814 9.6752 9.7331 11.1327 11.1327 14.3694 14.3694 14.9809 15.0781 15.4259 15.4259 15.7876 15.8736 16.2062 16.2062 16.3513 16.3513 k = 0.0000 0.0000 0.4912 ( 1658 PWs) bands (ev): -29.1430 -29.1430 -10.1808 -10.1808 -8.8329 -8.8329 -8.6459 -8.6458 1.7581 1.7581 6.8282 6.8449 7.3824 7.3824 8.1447 8.1447 9.0746 9.0746 9.6767 9.7203 11.1385 11.1385 14.3940 14.3940 15.0388 15.1154 15.4732 15.4732 15.7836 15.8527 16.1944 16.1944 16.3365 16.3365 k = 0.0000 0.0000 0.5042 ( 1658 PWs) bands (ev): -29.1429 -29.1429 -10.1813 -10.1813 -8.8338 -8.8338 -8.6457 -8.6457 1.7650 1.7650 6.8298 6.8410 7.3817 7.3817 8.1353 8.1353 9.0697 9.0697 9.6799 9.7090 11.1427 11.1427 14.4122 14.4122 15.0876 15.1408 15.5083 15.5083 15.7829 15.8312 16.1853 16.1853 16.3246 16.3247 k = 0.0000 0.0000 0.5171 ( 1670 PWs) bands (ev): -29.1429 -29.1429 -10.1816 -10.1816 -8.8344 -8.8344 -8.6456 -8.6456 1.7692 1.7692 6.8320 6.8376 7.3812 7.3812 8.1296 8.1296 9.0668 9.0668 9.6847 9.6993 11.1453 11.1453 14.4234 14.4234 15.1244 15.1517 15.5300 15.5300 15.7867 15.8115 16.1795 16.1795 16.3169 16.3169 k = 0.0000 0.0000 0.5300 ( 1670 PWs) bands (ev): -29.1429 -29.1429 -10.1817 -10.1817 -8.8346 -8.8346 -8.6456 -8.6456 1.7706 1.7706 6.8345 6.8345 7.3811 7.3811 8.1277 8.1277 9.0659 9.0659 9.6912 9.6912 11.1462 11.1462 14.4272 14.4272 15.1463 15.1463 15.5373 15.5373 15.7962 15.7962 16.1775 16.1775 16.3142 16.3142 k = 0.0000 0.0000 0.5300 ( 1670 PWs) bands (ev): -29.1429 -29.1429 -10.1817 -10.1817 -8.8346 -8.8346 -8.6456 -8.6456 1.7706 1.7706 6.8345 6.8345 7.3811 7.3811 8.1277 8.1277 9.0659 9.0659 9.6912 9.6912 11.1462 11.1462 14.4272 14.4272 15.1463 15.1463 15.5373 15.5373 15.7962 15.7962 16.1775 16.1775 16.3142 16.3142 k = 0.0111 0.0064 0.5300 ( 1670 PWs) bands (ev): -29.1429 -29.1429 -10.1817 -10.1817 -8.8346 -8.8346 -8.6457 -8.6457 1.7711 1.7711 6.8353 6.8353 7.3817 7.3817 8.1264 8.1264 9.0679 9.0679 9.6927 9.6927 11.1464 11.1464 14.4078 14.4078 15.1137 15.1137 15.5626 15.5626 15.8091 15.8091 16.1509 16.1509 16.2919 16.2919 k = 0.0222 0.0128 0.5300 ( 1666 PWs) bands (ev): -29.1428 -29.1428 -10.1818 -10.1818 -8.8346 -8.8346 -8.6460 -8.6460 1.7725 1.7725 6.8375 6.8375 7.3837 7.3837 8.1228 8.1228 9.0741 9.0741 9.6974 9.6974 11.1469 11.1469 14.3520 14.3520 15.0354 15.0354 15.6153 15.6153 15.8487 15.8487 16.0858 16.0858 16.2838 16.2838 k = 0.0333 0.0192 0.5300 ( 1660 PWs) bands (ev): -29.1428 -29.1428 -10.1819 -10.1819 -8.8346 -8.8346 -8.6466 -8.6466 1.7749 1.7749 6.8412 6.8412 7.3870 7.3870 8.1168 8.1168 9.0842 9.0842 9.7053 9.7053 11.1476 11.1476 14.2657 14.2657 14.9361 14.9361 15.6649 15.6649 15.9082 15.9082 16.0122 16.0122 16.2896 16.2896 k = 0.0444 0.0257 0.5300 ( 1660 PWs) bands (ev): -29.1427 -29.1427 -10.1821 -10.1821 -8.8346 -8.8346 -8.6473 -8.6473 1.7783 1.7783 6.8463 6.8463 7.3916 7.3916 8.1089 8.1089 9.0977 9.0977 9.7164 9.7164 11.1487 11.1487 14.1561 14.1561 14.8270 14.8270 15.7002 15.7002 15.8957 15.8957 16.0242 16.0242 16.3062 16.3062 k = 0.0556 0.0321 0.5300 ( 1660 PWs) bands (ev): -29.1426 -29.1426 -10.1823 -10.1823 -8.8345 -8.8345 -8.6483 -8.6483 1.7826 1.7826 6.8528 6.8528 7.3976 7.3976 8.0992 8.0992 9.1142 9.1142 9.7310 9.7310 11.1501 11.1501 14.0296 14.0296 14.7125 14.7125 15.7122 15.7122 15.8246 15.8246 16.1058 16.1058 16.3386 16.3386 k = 0.0667 0.0385 0.5300 ( 1660 PWs) bands (ev): -29.1425 -29.1425 -10.1825 -10.1825 -8.8345 -8.8345 -8.6495 -8.6495 1.7879 1.7879 6.8606 6.8606 7.4049 7.4049 8.0882 8.0882 9.1332 9.1332 9.7492 9.7492 11.1517 11.1517 13.8913 13.8913 14.5946 14.5946 15.6642 15.6642 15.8002 15.8002 16.1753 16.1753 16.3978 16.3978 k = 0.0778 0.0449 0.5300 ( 1660 PWs) bands (ev): -29.1424 -29.1424 -10.1828 -10.1828 -8.8345 -8.8345 -8.6508 -8.6508 1.7941 1.7941 6.8698 6.8698 7.4136 7.4136 8.0760 8.0760 9.1540 9.1540 9.7711 9.7711 11.1535 11.1535 13.7448 13.7448 14.4743 14.4743 15.5732 15.5732 15.8127 15.8127 16.2207 16.2207 16.4869 16.4869 k = 0.0889 0.0513 0.5300 ( 1660 PWs) bands (ev): -29.1423 -29.1423 -10.1831 -10.1831 -8.8344 -8.8344 -8.6524 -8.6524 1.8012 1.8012 6.8802 6.8802 7.4237 7.4237 8.0632 8.0632 9.1760 9.1760 9.7970 9.7970 11.1556 11.1556 13.5930 13.5930 14.3522 14.3522 15.4722 15.4722 15.8321 15.8321 16.2505 16.2505 16.5945 16.5945 k = 0.1000 0.0577 0.5300 ( 1660 PWs) bands (ev): -29.1422 -29.1422 -10.1835 -10.1835 -8.8344 -8.8344 -8.6541 -8.6541 1.8092 1.8092 6.8918 6.8918 7.4352 7.4352 8.0500 8.0500 9.1988 9.1988 9.8269 9.8269 11.1578 11.1578 13.4377 13.4377 14.2288 14.2288 15.3677 15.3677 15.8531 15.8531 16.2735 16.2735 16.7097 16.7097 k = 0.1111 0.0642 0.5300 ( 1660 PWs) bands (ev): -29.1420 -29.1420 -10.1839 -10.1839 -8.8344 -8.8344 -8.6560 -8.6560 1.8181 1.8181 6.9044 6.9044 7.4482 7.4482 8.0366 8.0366 9.2217 9.2217 9.8610 9.8610 11.1601 11.1601 13.2803 13.2803 14.1046 14.1046 15.2619 15.2619 15.8751 15.8751 16.2942 16.2942 16.8261 16.8261 k = 0.1222 0.0706 0.5300 ( 1660 PWs) bands (ev): -29.1418 -29.1418 -10.1843 -10.1843 -8.8343 -8.8343 -8.6581 -8.6581 1.8280 1.8280 6.9181 6.9181 7.4626 7.4626 8.0233 8.0233 9.2444 9.2444 9.8993 9.8993 11.1626 11.1626 13.1221 13.1221 13.9798 13.9798 15.1555 15.1555 15.8980 15.8980 16.3144 16.3144 16.9347 16.9347 k = 0.1333 0.0770 0.5300 ( 1672 PWs) bands (ev): -29.1417 -29.1417 -10.1848 -10.1848 -8.8343 -8.8343 -8.6603 -8.6603 1.8387 1.8387 6.9327 6.9327 7.4786 7.4786 8.0104 8.0104 9.2667 9.2667 9.9417 9.9417 11.1651 11.1651 12.9639 12.9639 13.8546 13.8546 15.0491 15.0491 15.9219 15.9219 16.3349 16.3349 17.0136 17.0136 k = 0.1444 0.0834 0.5300 ( 1668 PWs) bands (ev): -29.1415 -29.1415 -10.1853 -10.1853 -8.8343 -8.8343 -8.6626 -8.6626 1.8502 1.8502 6.9480 6.9480 7.4960 7.4960 7.9980 7.9980 9.2882 9.2882 9.9881 9.9881 11.1676 11.1676 12.8065 12.8065 13.7294 13.7294 14.9430 14.9430 15.9469 15.9469 16.3563 16.3563 17.0667 17.0667 k = 0.1556 0.0898 0.5300 ( 1668 PWs) bands (ev): -29.1413 -29.1413 -10.1858 -10.1858 -8.8343 -8.8343 -8.6651 -8.6651 1.8625 1.8625 6.9640 6.9640 7.5151 7.5151 7.9863 7.9863 9.3088 9.3088 10.0382 10.0382 11.1701 11.1701 12.6504 12.6504 13.6042 13.6042 14.8377 14.8377 15.9732 15.9732 16.3786 16.3786 17.1124 17.1124 k = 0.1667 0.0962 0.5300 ( 1668 PWs) bands (ev): -29.1411 -29.1411 -10.1864 -10.1864 -8.8342 -8.8342 -8.6676 -8.6676 1.8757 1.8757 6.9806 6.9806 7.5356 7.5356 7.9755 7.9755 9.3285 9.3285 10.0917 10.0917 11.1724 11.1724 12.4963 12.4963 13.4793 13.4793 14.7335 14.7335 16.0007 16.0007 16.4020 16.4020 17.1555 17.1555 k = 0.1778 0.1026 0.5300 ( 1668 PWs) bands (ev): -29.1408 -29.1408 -10.1870 -10.1870 -8.8342 -8.8342 -8.6702 -8.6702 1.8896 1.8896 6.9976 6.9976 7.5578 7.5578 7.9656 7.9656 9.3472 9.3472 10.1484 10.1484 11.1746 11.1746 12.3447 12.3447 13.3548 13.3548 14.6305 14.6305 16.0295 16.0295 16.4266 16.4266 17.1974 17.1974 k = 0.1889 0.1091 0.5300 ( 1670 PWs) bands (ev): -29.1406 -29.1406 -10.1877 -10.1877 -8.8342 -8.8342 -8.6729 -8.6729 1.9042 1.9042 7.0150 7.0150 7.5814 7.5814 7.9568 7.9568 9.3650 9.3650 10.2076 10.2076 11.1763 11.1763 12.1963 12.1963 13.2308 13.2308 14.5289 14.5289 16.0597 16.0597 16.4524 16.4524 17.2385 17.2385 k = 0.2000 0.1155 0.5300 ( 1666 PWs) bands (ev): -29.1404 -29.1404 -10.1883 -10.1883 -8.8343 -8.8343 -8.6757 -8.6757 1.9195 1.9195 7.0325 7.0325 7.6064 7.6064 7.9492 7.9492 9.3819 9.3819 10.2690 10.2690 11.1775 11.1775 12.0519 12.0519 13.1075 13.1075 14.4291 14.4291 16.0911 16.0911 16.4793 16.4793 17.2790 17.2790 k = 0.2111 0.1219 0.5300 ( 1674 PWs) bands (ev): -29.1402 -29.1402 -10.1890 -10.1890 -8.8343 -8.8343 -8.6785 -8.6785 1.9354 1.9354 7.0501 7.0501 7.6327 7.6327 7.9431 7.9431 9.3980 9.3980 10.3320 10.3320 11.1776 11.1776 11.9123 11.9123 12.9851 12.9851 14.3312 14.3312 16.1239 16.1239 16.5073 16.5073 17.3191 17.3191 k = 0.2222 0.1283 0.5300 ( 1670 PWs) bands (ev): -29.1399 -29.1399 -10.1898 -10.1898 -8.8343 -8.8343 -8.6813 -8.6813 1.9519 1.9519 7.0676 7.0676 7.6600 7.6600 7.9386 7.9386 9.4133 9.4133 10.3959 10.3959 11.1758 11.1758 11.7791 11.7791 12.8635 12.8635 14.2353 14.2353 16.1578 16.1578 16.5364 16.5364 17.3588 17.3588 k = 0.2333 0.1347 0.5300 ( 1674 PWs) bands (ev): -29.1397 -29.1397 -10.1905 -10.1905 -8.8344 -8.8344 -8.6841 -8.6841 1.9689 1.9689 7.0851 7.0851 7.6880 7.6880 7.9362 7.9362 9.4278 9.4278 10.4598 10.4598 11.1706 11.1706 11.6546 11.6546 12.7431 12.7431 14.1416 14.1416 16.1930 16.1930 16.5665 16.5665 17.3980 17.3980 k = 0.2444 0.1411 0.5300 ( 1678 PWs) bands (ev): -29.1394 -29.1394 -10.1912 -10.1912 -8.8345 -8.8345 -8.6869 -8.6869 1.9863 1.9863 7.1023 7.1023 7.7162 7.7162 7.9362 7.9362 9.4417 9.4417 10.5225 10.5225 11.1585 11.1585 11.5433 11.5433 12.6238 12.6238 14.0502 14.0502 16.2292 16.2292 16.5974 16.5974 17.4368 17.4368 k = 0.2556 0.1475 0.5300 ( 1678 PWs) bands (ev): -29.1392 -29.1392 -10.1920 -10.1920 -8.8346 -8.8346 -8.6897 -8.6897 2.0041 2.0041 7.1191 7.1191 7.7436 7.7436 7.9395 7.9395 9.4549 9.4549 10.5823 10.5823 11.1337 11.1337 11.4530 11.4530 12.5060 12.5060 13.9614 13.9614 16.2663 16.2663 16.6293 16.6293 17.4751 17.4751 k = 0.2667 0.1540 0.5300 ( 1666 PWs) bands (ev): -29.1389 -29.1389 -10.1928 -10.1928 -8.8347 -8.8347 -8.6924 -8.6924 2.0222 2.0222 7.1356 7.1356 7.7691 7.7691 7.9472 7.9472 9.4674 9.4674 10.6361 10.6361 11.0901 11.0901 11.3926 11.3926 12.3897 12.3897 13.8751 13.8751 16.3044 16.3044 16.6618 16.6618 17.5127 17.5127 k = 0.2778 0.1604 0.5300 ( 1670 PWs) bands (ev): -29.1386 -29.1386 -10.1935 -10.1935 -8.8349 -8.8349 -8.6951 -8.6951 2.0406 2.0406 7.1516 7.1516 7.7913 7.7913 7.9603 7.9603 9.4793 9.4793 10.6777 10.6777 11.0326 11.0326 11.3632 11.3632 12.2751 12.2751 13.7916 13.7916 16.3431 16.3431 16.6949 16.6949 17.5496 17.5496 k = 0.2889 0.1668 0.5300 ( 1670 PWs) bands (ev): -29.1384 -29.1384 -10.1943 -10.1943 -8.8350 -8.8350 -8.6978 -8.6978 2.0590 2.0590 7.1671 7.1671 7.8091 7.8091 7.9798 7.9798 9.4906 9.4906 10.6944 10.6944 10.9818 10.9818 11.3568 11.3568 12.1625 12.1625 13.7110 13.7110 16.3824 16.3824 16.7284 16.7284 17.5855 17.5855 k = 0.3000 0.1732 0.5300 ( 1670 PWs) bands (ev): -29.1381 -29.1381 -10.1951 -10.1951 -8.8352 -8.8352 -8.7003 -8.7003 2.0775 2.0775 7.1819 7.1819 7.8225 7.8225 8.0057 8.0057 9.5013 9.5013 10.6707 10.6707 10.9610 10.9610 11.3654 11.3654 12.0523 12.0523 13.6333 13.6333 16.4222 16.4222 16.7623 16.7623 17.6203 17.6203 k = 0.3111 0.1796 0.5300 ( 1672 PWs) bands (ev): -29.1379 -29.1379 -10.1958 -10.1958 -8.8355 -8.8355 -8.7027 -8.7027 2.0960 2.0960 7.1962 7.1962 7.8321 7.8321 8.0369 8.0369 9.5114 9.5114 10.6112 10.6112 10.9694 10.9694 11.3848 11.3848 11.9450 11.9450 13.5586 13.5586 16.4621 16.4621 16.7962 16.7962 17.6538 17.6538 k = 0.3222 0.1860 0.5300 ( 1672 PWs) bands (ev): -29.1377 -29.1377 -10.1966 -10.1966 -8.8357 -8.8357 -8.7051 -8.7051 2.1142 2.1142 7.2098 7.2098 7.8390 7.8390 8.0720 8.0720 9.5209 9.5209 10.5350 10.5350 10.9898 10.9898 11.4120 11.4120 11.8417 11.8417 13.4872 13.4872 16.5020 16.5020 16.8301 16.8301 17.6859 17.6859 k = 0.3333 0.1925 0.5300 ( 1674 PWs) bands (ev): -29.1375 -29.1375 -10.1973 -10.1973 -8.8359 -8.8359 -8.7073 -8.7073 2.1322 2.1322 7.2227 7.2227 7.8442 7.8442 8.1098 8.1098 9.5297 9.5297 10.4544 10.4544 11.0113 11.0113 11.4431 11.4431 11.7452 11.7452 13.4189 13.4189 16.5416 16.5416 16.8636 16.8636 17.7163 17.7163 k = 0.3444 0.1989 0.5300 ( 1674 PWs) bands (ev): -29.1373 -29.1373 -10.1980 -10.1980 -8.8362 -8.8362 -8.7094 -8.7094 2.1498 2.1498 7.2349 7.2349 7.8482 7.8482 8.1492 8.1492 9.5379 9.5379 10.3748 10.3748 11.0301 11.0301 11.4674 11.4674 11.6648 11.6648 13.3540 13.3540 16.5808 16.5808 16.8968 16.8968 17.7449 17.7449 k = 0.3556 0.2053 0.5300 ( 1674 PWs) bands (ev): -29.1371 -29.1371 -10.1987 -10.1987 -8.8365 -8.8365 -8.7114 -8.7114 2.1668 2.1668 7.2463 7.2463 7.8516 7.8516 8.1893 8.1893 9.5455 9.5455 10.2989 10.2989 11.0451 11.0451 11.4541 11.4541 11.6298 11.6298 13.2925 13.2925 16.6193 16.6193 16.9291 16.9291 17.7713 17.7713 k = 0.3667 0.2117 0.5300 ( 1674 PWs) bands (ev): -29.1369 -29.1369 -10.1994 -10.1994 -8.8367 -8.8367 -8.7133 -8.7133 2.1832 2.1832 7.2570 7.2570 7.8545 7.8545 8.2296 8.2296 9.5525 9.5525 10.2279 10.2279 11.0565 11.0565 11.3910 11.3910 11.6512 11.6512 13.2345 13.2345 16.6568 16.6568 16.9606 16.9606 17.7955 17.7955 k = 0.3778 0.2181 0.5300 ( 1674 PWs) bands (ev): -29.1367 -29.1367 -10.2000 -10.2000 -8.8370 -8.8370 -8.7150 -8.7150 2.1989 2.1989 7.2669 7.2669 7.8571 7.8571 8.2694 8.2694 9.5589 9.5589 10.1629 10.1629 11.0646 11.0646 11.3110 11.3110 11.6948 11.6948 13.1801 13.1801 16.6929 16.6929 16.9908 16.9908 17.8172 17.8172 k = 0.3889 0.2245 0.5300 ( 1678 PWs) bands (ev): -29.1365 -29.1365 -10.2006 -10.2006 -8.8373 -8.8373 -8.7166 -8.7166 2.2137 2.2137 7.2759 7.2759 7.8595 7.8595 8.3079 8.3079 9.5647 9.5647 10.1042 10.1042 11.0693 11.0693 11.2302 11.2302 11.7446 11.7446 13.1293 13.1293 16.7275 16.7275 17.0196 17.0196 17.8363 17.8363 k = 0.4000 0.2309 0.5300 ( 1684 PWs) bands (ev): -29.1364 -29.1364 -10.2011 -10.2011 -8.8376 -8.8376 -8.7180 -8.7180 2.2275 2.2275 7.2842 7.2842 7.8617 7.8617 8.3448 8.3448 9.5700 9.5700 10.0522 10.0522 11.0679 11.0679 11.1560 11.1560 11.7955 11.7955 13.0823 13.0823 16.7601 16.7601 17.0466 17.0466 17.8527 17.8527 k = 0.4111 0.2374 0.5300 ( 1688 PWs) bands (ev): -29.1363 -29.1363 -10.2016 -10.2016 -8.8378 -8.8378 -8.7193 -8.7193 2.2402 2.2402 7.2916 7.2916 7.8637 7.8637 8.3793 8.3793 9.5749 9.5749 10.0070 10.0070 11.0429 11.0429 11.1082 11.1082 11.8452 11.8452 13.0392 13.0392 16.7905 16.7905 17.0717 17.0717 17.8663 17.8663 k = 0.4222 0.2438 0.5300 ( 1688 PWs) bands (ev): -29.1361 -29.1361 -10.2020 -10.2020 -8.8381 -8.8381 -8.7204 -8.7204 2.2517 2.2517 7.2982 7.2982 7.8655 7.8655 8.4110 8.4110 9.5794 9.5794 9.9687 9.9687 10.9852 10.9852 11.0975 11.0975 11.8923 11.8923 13.0001 13.0001 16.8184 16.8184 17.0945 17.0945 17.8774 17.8774 k = 0.4333 0.2502 0.5300 ( 1684 PWs) bands (ev): -29.1360 -29.1360 -10.2024 -10.2024 -8.8383 -8.8383 -8.7214 -8.7214 2.2619 2.2619 7.3039 7.3039 7.8671 7.8671 8.4393 8.4393 9.5836 9.5836 9.9369 9.9369 10.9237 10.9237 11.0961 11.0961 11.9356 11.9356 12.9653 12.9653 16.8433 16.8433 17.1149 17.1149 17.8859 17.8859 k = 0.4444 0.2566 0.5300 ( 1680 PWs) bands (ev): -29.1359 -29.1359 -10.2027 -10.2027 -8.8385 -8.8385 -8.7222 -8.7222 2.2707 2.2707 7.3087 7.3087 7.8685 7.8685 8.4639 8.4639 9.5874 9.5874 9.9113 9.9113 10.8675 10.8675 11.0962 11.0962 11.9743 11.9743 12.9349 12.9349 16.8650 16.8650 17.1325 17.1325 17.8921 17.8921 k = 0.4556 0.2630 0.5300 ( 1680 PWs) bands (ev): -29.1358 -29.1358 -10.2030 -10.2030 -8.8387 -8.8387 -8.7229 -8.7229 2.2780 2.2780 7.3127 7.3127 7.8697 7.8697 8.4844 8.4844 9.5910 9.5910 9.8915 9.8915 10.8191 10.8191 11.0966 11.0966 12.0074 12.0074 12.9093 12.9093 16.8832 16.8832 17.1473 17.1473 17.8965 17.8965 k = 0.4667 0.2694 0.5300 ( 1676 PWs) bands (ev): -29.1358 -29.1358 -10.2032 -10.2032 -8.8388 -8.8388 -8.7234 -8.7234 2.2837 2.2837 7.3157 7.3157 7.8706 7.8706 8.5005 8.5005 9.5940 9.5940 9.8769 9.8769 10.7798 10.7798 11.0970 11.0970 12.0341 12.0341 12.8889 12.8889 16.8977 16.8977 17.1589 17.1589 17.8993 17.8993 k = 0.4778 0.2758 0.5300 ( 1672 PWs) bands (ev): -29.1357 -29.1357 -10.2034 -10.2034 -8.8389 -8.8389 -8.7238 -8.7238 2.2879 2.2879 7.3179 7.3179 7.8713 7.8713 8.5121 8.5121 9.5964 9.5964 9.8670 9.8670 10.7509 10.7509 11.0972 11.0972 12.0539 12.0539 12.8739 12.8739 16.9082 16.9082 17.1674 17.1674 17.9010 17.9010 k = 0.4889 0.2823 0.5300 ( 1672 PWs) bands (ev): -29.1357 -29.1357 -10.2035 -10.2035 -8.8390 -8.8390 -8.7240 -8.7240 2.2904 2.2904 7.3193 7.3193 7.8717 7.8717 8.5191 8.5191 9.5979 9.5979 9.8612 9.8612 10.7331 10.7331 11.0974 11.0974 12.0659 12.0659 12.8648 12.8648 16.9146 16.9146 17.1725 17.1725 17.9018 17.9018 k = 0.5000 0.2887 0.5300 ( 1672 PWs) bands (ev): -29.1357 -29.1357 -10.2035 -10.2035 -8.8390 -8.8390 -8.7241 -8.7241 2.2912 2.2912 7.3197 7.3197 7.8719 7.8719 8.5215 8.5215 9.5985 9.5985 9.8593 9.8593 10.7271 10.7271 11.0975 11.0975 12.0700 12.0700 12.8617 12.8617 16.9167 16.9167 17.1742 17.1742 17.9021 17.9021 k = 0.5000 0.2887 0.5300 ( 1672 PWs) bands (ev): -29.1357 -29.1357 -10.2035 -10.2035 -8.8390 -8.8390 -8.7241 -8.7241 2.2912 2.2912 7.3197 7.3197 7.8719 7.8719 8.5215 8.5215 9.5985 9.5985 9.8593 9.8593 10.7271 10.7271 11.0975 11.0975 12.0700 12.0700 12.8617 12.8617 16.9167 16.9167 17.1742 17.1742 17.9021 17.9021 k = 0.4936 0.2998 0.5300 ( 1672 PWs) bands (ev): -29.1357 -29.1357 -10.2039 -10.2032 -8.8389 -8.8389 -8.7248 -8.7235 2.2893 2.2943 7.3158 7.3188 7.8691 7.8762 8.5233 8.5238 9.5868 9.6079 9.8471 9.8701 10.6995 10.7552 11.0917 11.1032 12.0651 12.0759 12.8613 12.8636 16.9087 16.9249 17.1757 17.1774 17.9008 17.9016 k = 0.4872 0.3109 0.5300 ( 1672 PWs) bands (ev): -29.1356 -29.1356 -10.2042 -10.2029 -8.8388 -8.8388 -8.7257 -8.7231 2.2885 2.2984 7.3073 7.3132 7.8682 7.8818 8.5298 8.5298 9.5730 9.6151 9.8341 9.8790 10.6728 10.7833 11.0857 11.1091 12.0610 12.0825 12.8624 12.8670 16.9011 16.9332 17.1820 17.1854 17.8979 17.8995 k = 0.4808 0.3220 0.5300 ( 1674 PWs) bands (ev): -29.1356 -29.1356 -10.2046 -10.2026 -8.8387 -8.8387 -8.7267 -8.7228 2.2888 2.3037 7.2943 7.3030 7.8692 7.8886 8.5388 8.5409 9.5570 9.6200 9.8207 9.8857 10.6475 10.8108 11.0794 11.1152 12.0579 12.0900 12.8650 12.8718 16.8941 16.9417 17.1930 17.1980 17.8931 17.8956 k = 0.4744 0.3331 0.5300 ( 1670 PWs) bands (ev): -29.1356 -29.1356 -10.2050 -10.2023 -8.8385 -8.8384 -8.7278 -8.7227 2.2902 2.3100 7.2773 7.2885 7.8725 7.8964 8.5502 8.5568 9.5389 9.6225 9.8078 9.8898 10.6239 10.8372 11.0727 11.1216 12.0557 12.0980 12.8691 12.8781 16.8878 16.9503 17.2087 17.2153 17.8867 17.8902 k = 0.4679 0.3442 0.5300 ( 1666 PWs) bands (ev): -29.1356 -29.1356 -10.2054 -10.2020 -8.8382 -8.8381 -8.7291 -8.7227 2.2926 2.3173 7.2566 7.2701 7.8779 7.9051 8.5633 8.5772 9.5188 9.6227 9.7959 9.8912 10.6023 10.8619 11.0653 11.1285 12.0542 12.1065 12.8748 12.8859 16.8827 16.9592 17.2290 17.2371 17.8785 17.8831 k = 0.4615 0.3553 0.5300 ( 1658 PWs) bands (ev): -29.1355 -29.1355 -10.2058 -10.2018 -8.8379 -8.8378 -8.7305 -8.7228 2.2961 2.3255 7.2329 7.2482 7.8856 7.9148 8.5773 8.6017 9.4966 9.6207 9.7857 9.8899 10.5828 10.8846 11.0571 11.1358 12.0534 12.1153 12.8819 12.8951 16.8791 16.9685 17.2538 17.2633 17.8686 17.8744 k = 0.4551 0.3664 0.5300 ( 1662 PWs) bands (ev): -29.1355 -29.1355 -10.2062 -10.2015 -8.8375 -8.8373 -8.7319 -8.7231 2.3005 2.3346 7.2067 7.2232 7.8953 7.9254 8.5917 8.6301 9.4723 9.6164 9.7779 9.8858 10.5653 10.9049 11.0480 11.1434 12.0532 12.1242 12.8906 12.9058 16.8772 16.9783 17.2829 17.2937 17.8571 17.8643 k = 0.4487 0.3775 0.5300 ( 1666 PWs) bands (ev): -29.1355 -29.1355 -10.2067 -10.2013 -8.8371 -8.8369 -8.7335 -8.7235 2.3057 2.3445 7.1785 7.1958 7.9071 7.9370 8.6059 8.6618 9.4460 9.6101 9.7730 9.8792 10.5498 10.9226 11.0379 11.1511 12.0535 12.1331 12.9007 12.9178 16.8775 16.9889 17.3161 17.3284 17.8439 17.8527 k = 0.4423 0.3886 0.5300 ( 1666 PWs) bands (ev): -29.1354 -29.1354 -10.2071 -10.2012 -8.8366 -8.8363 -8.7352 -8.7240 2.3117 2.3551 7.1490 7.1664 7.9207 7.9495 8.6194 8.6965 9.4177 9.6019 9.7715 9.8704 10.5360 10.9378 11.0265 11.1584 12.0540 12.1419 12.9122 12.9312 16.8802 17.0006 17.3533 17.3670 17.8292 17.8398 k = 0.4359 0.3997 0.5300 ( 1666 PWs) bands (ev): -29.1354 -29.1354 -10.2075 -10.2010 -8.8361 -8.8358 -8.7369 -8.7246 2.3185 2.3663 7.1185 7.1355 7.9359 7.9628 8.6320 8.7335 9.3875 9.5920 9.7738 9.8597 10.5235 10.9505 11.0140 11.1649 12.0548 12.1502 12.9250 12.9458 16.8858 17.0136 17.3944 17.4095 17.8131 17.8257 k = 0.4295 0.4108 0.5300 ( 1670 PWs) bands (ev): -29.1353 -29.1353 -10.2079 -10.2009 -8.8356 -8.8351 -8.7387 -8.7252 2.3258 2.3779 7.0877 7.1037 7.9524 7.9770 8.6435 8.7724 9.3558 9.5807 9.7800 9.8477 10.5120 10.9610 11.0001 11.1700 12.0556 12.1582 12.9389 12.9615 16.8945 17.0282 17.4389 17.4555 17.7957 17.8107 k = 0.4231 0.4219 0.5300 ( 1674 PWs) bands (ev): -29.1353 -29.1353 -10.2083 -10.2008 -8.8350 -8.8345 -8.7405 -8.7260 2.3336 2.3898 7.0569 7.0715 7.9702 7.9919 8.6537 8.8129 9.3227 9.5683 9.7901 9.8346 10.5011 10.9695 10.9849 11.1732 12.0565 12.1657 12.9539 12.9782 16.9065 17.0446 17.4866 17.5049 17.7772 17.7948 k = 0.4167 0.4330 0.5300 ( 1678 PWs) bands (ev): -29.1353 -29.1353 -10.2087 -10.2007 -8.8345 -8.8338 -8.7423 -8.7268 2.3417 2.4020 7.0266 7.0393 7.9888 8.0072 8.6627 8.8544 9.2884 9.5550 9.8041 9.8211 10.4903 10.9686 10.9763 11.1741 12.0573 12.1726 12.9697 12.9957 16.9221 17.0632 17.5371 17.5572 17.7580 17.7786 k = 0.4103 0.4441 0.5300 ( 1678 PWs) bands (ev): -29.1352 -29.1352 -10.2091 -10.2006 -8.8340 -8.8332 -8.7441 -8.7276 2.3501 2.4142 6.9971 7.0075 8.0081 8.0229 8.6707 8.8965 9.2534 9.5412 9.8075 9.8217 10.4792 10.9512 10.9814 11.1723 12.0579 12.1789 12.9860 13.0137 16.9411 17.0841 17.5897 17.6120 17.7383 17.7626 k = 0.4038 0.4552 0.5300 ( 1674 PWs) bands (ev): -29.1351 -29.1351 -10.2095 -10.2005 -8.8334 -8.8325 -8.7459 -8.7284 2.3586 2.4263 6.9688 6.9768 8.0276 8.0386 8.6779 8.9387 9.2177 9.5272 9.7943 9.8426 10.4672 10.9332 10.9851 11.1677 12.0585 12.1846 13.0027 13.0320 16.9638 17.1074 17.6421 17.6676 17.7198 17.7490 k = 0.3974 0.4663 0.5300 ( 1678 PWs) bands (ev): -29.1351 -29.1351 -10.2099 -10.2005 -8.8329 -8.8318 -8.7476 -8.7293 2.3671 2.4381 6.9419 6.9473 8.0470 8.0542 8.6846 8.9805 9.1819 9.5135 9.7819 9.8664 10.4539 10.9149 10.9874 11.1604 12.0589 12.1897 13.0195 13.0503 16.9898 17.1332 17.6839 17.6914 17.7351 17.7481 k = 0.3910 0.4774 0.5300 ( 1678 PWs) bands (ev): -29.1350 -29.1350 -10.2102 -10.2005 -8.8324 -8.8311 -8.7493 -8.7301 2.3754 2.4495 6.9169 6.9195 8.0661 8.0694 8.6913 9.0214 9.1461 9.5004 9.7706 9.8926 10.4391 10.8967 10.9880 11.1506 12.0592 12.1943 13.0360 13.0683 17.0189 17.1614 17.6738 17.6903 17.7846 17.7934 k = 0.3846 0.4885 0.5300 ( 1678 PWs) bands (ev): -29.1350 -29.1350 -10.2105 -10.2005 -8.8319 -8.8305 -8.7509 -8.7309 2.3833 2.4603 6.8937 6.8939 8.0839 8.0844 8.6982 9.0608 9.1108 9.4883 9.7609 9.9206 10.4224 10.8792 10.9868 11.1391 12.0594 12.1983 13.0520 13.0857 17.0506 17.1916 17.6546 17.6788 17.8407 17.8548 k = 0.3782 0.4996 0.5300 ( 1674 PWs) bands (ev): -29.1349 -29.1349 -10.2108 -10.2005 -8.8315 -8.8299 -8.7523 -8.7317 2.3908 2.4704 6.8702 6.8731 8.0975 8.1015 8.7057 9.0762 9.0977 9.4776 9.7531 9.9496 10.4037 10.8629 10.9834 11.1267 12.0596 12.2017 13.0671 13.1020 17.0843 17.2235 17.6360 17.6646 17.9009 17.9166 k = 0.3718 0.5107 0.5300 ( 1670 PWs) bands (ev): -29.1349 -29.1349 -10.2111 -10.2005 -8.8311 -8.8294 -8.7536 -8.7324 2.3977 2.4796 6.8493 6.8548 8.1098 8.1171 8.7141 9.0429 9.1316 9.4686 9.7474 9.9789 10.3833 10.8483 10.9773 11.1145 12.0596 12.2048 13.0811 13.1171 17.1190 17.2563 17.6187 17.6505 17.9619 17.9777 k = 0.3654 0.5218 0.5300 ( 1666 PWs) bands (ev): -29.1348 -29.1348 -10.2113 -10.2005 -8.8308 -8.8289 -8.7548 -8.7330 2.4038 2.4876 6.8313 6.8391 8.1207 8.1308 8.7234 9.0114 9.1616 9.4616 9.7438 10.0075 10.3616 10.8358 10.9682 11.1038 12.0597 12.2073 13.0935 13.1304 17.1535 17.2890 17.6030 17.6375 18.0218 18.0365 k = 0.3590 0.5329 0.5300 ( 1670 PWs) bands (ev): -29.1348 -29.1348 -10.2115 -10.2005 -8.8305 -8.8285 -8.7557 -8.7336 2.4091 2.4945 6.8163 6.8262 8.1299 8.1423 8.7335 8.9824 9.1868 9.4567 9.7424 10.0342 10.3398 10.8255 10.9567 11.0954 12.0597 12.2095 13.1041 13.1418 17.1862 17.3202 17.5895 17.6262 18.0786 18.0914 k = 0.3526 0.5440 0.5300 ( 1674 PWs) bands (ev): -29.1348 -29.1348 -10.2116 -10.2005 -8.8303 -8.8282 -8.7565 -8.7340 2.4133 2.5000 6.8045 6.8161 8.1372 8.1515 8.7439 8.9569 9.2068 9.4538 9.7428 10.0577 10.3192 10.8177 10.9438 11.0895 12.0598 12.2113 13.1127 13.1510 17.2153 17.3480 17.5785 17.6168 18.1299 18.1400 k = 0.3462 0.5551 0.5300 ( 1678 PWs) bands (ev): -29.1348 -29.1348 -10.2117 -10.2005 -8.8301 -8.8280 -8.7571 -8.7343 2.4165 2.5041 6.7960 6.8089 8.1425 8.1580 8.7534 8.9362 9.2212 9.4524 9.7443 10.0765 10.3018 10.8123 10.9318 11.0858 12.0599 12.2126 13.1190 13.1577 17.2386 17.3705 17.5703 17.6099 18.1721 18.1793 k = 0.3397 0.5662 0.5300 ( 1680 PWs) bands (ev): -29.1348 -29.1348 -10.2118 -10.2005 -8.8300 -8.8279 -8.7574 -8.7345 2.4184 2.5066 6.7908 6.8046 8.1458 8.1620 8.7605 8.9225 9.2299 9.4520 9.7458 10.0888 10.2898 10.8091 10.9229 11.0840 12.0600 12.2135 13.1229 13.1618 17.2538 17.3854 17.5653 17.6056 18.2008 18.2057 k = 0.3333 0.5774 0.5300 ( 1692 PWs) bands (ev): -29.1348 -29.1348 -10.2118 -10.2005 -8.8300 -8.8278 -8.7575 -8.7346 2.4191 2.5074 6.7891 6.8032 8.1468 8.1633 8.7631 8.9176 9.2329 9.4520 9.7465 10.0932 10.2854 10.8081 10.9194 11.0834 12.0601 12.2138 13.1242 13.1632 17.2592 17.3907 17.5635 17.6042 18.2112 18.2152 k = 0.3333 0.5774 0.5300 ( 1692 PWs) bands (ev): -29.1348 -29.1348 -10.2118 -10.2005 -8.8300 -8.8278 -8.7575 -8.7346 2.4191 2.5074 6.7891 6.8032 8.1468 8.1633 8.7631 8.9176 9.2329 9.4520 9.7465 10.0932 10.2854 10.8081 10.9194 11.0834 12.0601 12.2138 13.1242 13.1632 17.2592 17.3907 17.5635 17.6042 18.2112 18.2152 k = 0.3269 0.5662 0.5300 ( 1684 PWs) bands (ev): -29.1348 -29.1348 -10.2118 -10.2005 -8.8300 -8.8279 -8.7574 -8.7345 2.4184 2.5066 6.7908 6.8046 8.1458 8.1620 8.7606 8.9223 9.2298 9.4519 9.7458 10.0886 10.2903 10.8091 10.9234 11.0839 12.0600 12.2134 13.1229 13.1618 17.2536 17.3852 17.5653 17.6056 18.2005 18.2054 k = 0.3205 0.5551 0.5300 ( 1680 PWs) bands (ev): -29.1348 -29.1348 -10.2117 -10.2005 -8.8301 -8.8280 -8.7571 -8.7343 2.4163 2.5040 6.7959 6.8086 8.1427 8.1582 8.7543 8.9353 9.2200 9.4518 9.7441 10.0744 10.3053 10.8118 10.9358 11.0850 12.0596 12.2122 13.1191 13.1579 17.2370 17.3688 17.5706 17.6101 18.1701 18.1772 k = 0.3141 0.5440 0.5300 ( 1684 PWs) bands (ev): -29.1348 -29.1348 -10.2116 -10.2005 -8.8302 -8.8282 -8.7565 -8.7340 2.4128 2.4996 6.8041 6.8152 8.1377 8.1521 8.7464 8.9543 9.2026 9.4517 9.7426 10.0511 10.3302 10.8161 10.9571 11.0868 12.0587 12.2098 13.1131 13.1518 17.2101 17.3426 17.5793 17.6175 18.1239 18.1341 k = 0.3077 0.5329 0.5300 ( 1676 PWs) bands (ev): -29.1348 -29.1348 -10.2114 -10.2004 -8.8304 -8.8284 -8.7557 -8.7335 2.4079 2.4934 6.8154 6.8241 8.1309 8.1438 8.7387 8.9770 9.1769 9.4523 9.7429 10.0198 10.3643 10.8217 10.9864 11.0893 12.0571 12.2059 13.1050 13.1437 17.1746 17.3082 17.5912 17.6277 18.0670 18.0799 k = 0.3013 0.5218 0.5300 ( 1676 PWs) bands (ev): -29.1349 -29.1349 -10.2112 -10.2004 -8.8306 -8.8287 -8.7547 -8.7329 2.4015 2.4855 6.8296 6.8350 8.1225 8.1336 8.7322 9.0022 9.1426 9.4538 9.7466 9.9823 10.4063 10.8286 11.0224 11.0930 12.0543 12.2001 13.0955 13.1344 17.1323 17.2673 17.6061 17.6403 18.0031 18.0180 k = 0.2949 0.5107 0.5300 ( 1672 PWs) bands (ev): -29.1349 -29.1349 -10.2109 -10.2003 -8.8309 -8.8291 -8.7535 -8.7321 2.3937 2.4758 6.8463 6.8476 8.1128 8.1216 8.7274 9.0288 9.0999 9.4566 9.7545 9.9404 10.4549 10.8365 11.0603 11.1016 12.0500 12.1918 13.0852 13.1245 17.0849 17.2216 17.6234 17.6547 17.9354 17.9513 k = 0.2885 0.4996 0.5300 ( 1676 PWs) bands (ev): -29.1350 -29.1350 -10.2106 -10.2002 -8.8312 -8.8295 -8.7522 -8.7312 2.3845 2.4646 6.8617 6.8654 8.1020 8.1082 8.7244 9.0499 9.0561 9.4605 9.7674 9.8962 10.5090 10.8453 11.0825 11.1314 12.0435 12.1805 13.0747 13.1150 17.0338 17.1726 17.6425 17.6701 17.8662 17.8818 k = 0.2821 0.4885 0.5300 ( 1678 PWs) bands (ev): -29.1351 -29.1351 -10.2102 -10.2000 -8.8315 -8.8298 -8.7506 -8.7302 2.3740 2.4517 6.8769 6.8865 8.0903 8.0935 8.7227 8.9936 9.0833 9.4653 9.7854 9.8519 10.5678 10.8548 11.0891 11.1816 12.0344 12.1656 13.0651 13.1067 16.9802 17.1214 17.6623 17.6840 17.7988 17.8115 k = 0.2756 0.4774 0.5300 ( 1678 PWs) bands (ev): -29.1352 -29.1352 -10.2097 -10.1998 -8.8318 -8.8302 -8.7489 -8.7291 2.3622 2.4374 6.8928 6.9091 8.0778 8.0780 8.7218 8.9324 9.1102 9.4706 9.8088 9.8096 10.6303 10.8649 11.0922 11.2391 12.0219 12.1465 13.0572 13.1006 16.9251 17.0687 17.6794 17.6832 17.7439 17.7466 k = 0.2692 0.4663 0.5300 ( 1678 PWs) bands (ev): -29.1353 -29.1353 -10.2093 -10.1996 -8.8321 -8.8306 -8.7471 -8.7279 2.3492 2.4217 6.9091 6.9331 8.0617 8.0650 8.7205 8.8674 9.1361 9.4762 9.7715 9.8374 10.6961 10.8755 11.0942 11.3007 12.0055 12.1226 13.0521 13.0979 16.8693 17.0154 17.6359 17.6571 17.7157 17.7413 k = 0.2628 0.4552 0.5300 ( 1682 PWs) bands (ev): -29.1354 -29.1354 -10.2087 -10.1994 -8.8324 -8.8310 -8.7451 -8.7265 2.3351 2.4047 6.9254 6.9578 8.0451 8.0518 8.7176 8.7996 9.1608 9.4818 9.7401 9.8715 10.7642 10.8867 11.0955 11.3655 11.9845 12.0937 13.0509 13.0993 16.8133 16.9619 17.5709 17.5912 17.7305 17.7538 k = 0.2564 0.4441 0.5300 ( 1682 PWs) bands (ev): -29.1355 -29.1355 -10.2081 -10.1991 -8.8327 -8.8313 -8.7429 -8.7250 2.3200 2.3866 6.9414 6.9831 8.0283 8.0385 8.7114 8.7299 9.1842 9.4870 9.7177 9.9111 10.8328 10.8999 11.0963 11.4327 11.9586 12.0597 13.0543 13.1055 16.7576 16.9086 17.5041 17.5226 17.7472 17.7677 k = 0.2500 0.4330 0.5300 ( 1682 PWs) bands (ev): -29.1357 -29.1357 -10.2075 -10.1989 -8.8329 -8.8317 -8.7407 -8.7235 2.3040 2.3675 6.9568 7.0083 8.0116 8.0254 8.6591 8.7004 9.2061 9.4917 9.7062 9.9561 10.8875 10.9291 11.0964 11.5014 11.9275 12.0212 13.0633 13.1172 16.7025 16.8557 17.4381 17.4546 17.7617 17.7800 k = 0.2436 0.4219 0.5300 ( 1682 PWs) bands (ev): -29.1358 -29.1358 -10.2068 -10.1985 -8.8332 -8.8320 -8.7383 -8.7218 2.2872 2.3474 6.9713 7.0332 7.9952 8.0124 8.5877 8.6832 9.2268 9.4957 9.7071 10.0068 10.9070 10.9949 11.0958 11.5707 11.8913 11.9791 13.0782 13.1345 16.6483 16.8037 17.3736 17.3880 17.7730 17.7896 k = 0.2372 0.4108 0.5300 ( 1686 PWs) bands (ev): -29.1360 -29.1360 -10.2060 -10.1982 -8.8334 -8.8322 -8.7358 -8.7200 2.2696 2.3266 6.9846 7.0573 7.9791 7.9998 8.5163 8.6590 9.2467 9.4988 9.7212 10.0631 10.9173 11.0708 11.0943 11.6379 11.8504 11.9365 13.0993 13.1575 16.5953 16.7525 17.3108 17.3231 17.7804 17.7957 k = 0.2308 0.3997 0.5300 ( 1682 PWs) bands (ev): -29.1362 -29.1362 -10.2053 -10.1978 -8.8336 -8.8325 -8.7332 -8.7182 2.2514 2.3052 6.9967 7.0804 7.9636 7.9876 8.4455 8.6276 9.2661 9.5010 9.7483 10.1252 10.9250 11.0918 11.1494 11.6951 11.8056 11.9018 13.1268 13.1863 16.5435 16.7024 17.2499 17.2600 17.7834 17.7978 k = 0.2244 0.3886 0.5300 ( 1682 PWs) bands (ev): -29.1364 -29.1364 -10.2045 -10.1974 -8.8338 -8.8327 -8.7305 -8.7163 2.2327 2.2833 7.0072 7.1019 7.9488 7.9758 8.3756 8.5898 9.2850 9.5022 9.7881 10.1930 10.9308 11.0879 11.2292 11.7192 11.7581 11.8988 13.1605 13.2206 16.4931 16.6536 17.1910 17.1987 17.7819 17.7957 k = 0.2179 0.3775 0.5300 ( 1682 PWs) bands (ev): -29.1366 -29.1366 -10.2036 -10.1969 -8.8340 -8.8329 -8.7278 -8.7142 2.2136 2.2609 7.0163 7.1218 7.9348 7.9645 8.3072 8.5464 9.3032 9.5024 9.8396 10.2667 10.9345 11.0823 11.3086 11.6953 11.7102 11.9434 13.2003 13.2603 16.4444 16.6060 17.1342 17.1394 17.7758 17.7893 k = 0.2115 0.3664 0.5300 ( 1686 PWs) bands (ev): -29.1368 -29.1368 -10.2027 -10.1964 -8.8341 -8.8330 -8.7249 -8.7121 2.1941 2.2383 7.0237 7.1396 7.9216 7.9536 8.2406 8.4986 9.3204 9.5015 9.9019 10.3460 10.9354 11.0745 11.3838 11.6476 11.6666 12.0125 13.2458 13.3050 16.3972 16.5598 17.0795 17.0821 17.7653 17.7786 k = 0.2051 0.3553 0.5300 ( 1682 PWs) bands (ev): -29.1370 -29.1370 -10.2018 -10.1959 -8.8342 -8.8332 -8.7220 -8.7100 2.1744 2.2154 7.0296 7.1551 7.9092 7.9429 8.1767 8.4478 9.3364 9.4995 9.9739 10.4308 10.9330 11.0640 11.4429 11.5927 11.6407 12.0908 13.2968 13.3547 16.3518 16.5150 17.0268 17.0268 17.7505 17.7637 k = 0.1987 0.3442 0.5300 ( 1686 PWs) bands (ev): -29.1372 -29.1372 -10.2009 -10.1954 -8.8343 -8.8333 -8.7190 -8.7077 2.1546 2.1925 7.0338 7.1682 7.8977 7.9318 8.1161 8.3949 9.3508 9.4964 10.0544 10.5209 10.9264 11.0498 11.4590 11.5371 11.6607 12.1736 13.3530 13.4090 16.3081 16.4717 16.9735 16.9762 17.7318 17.7448 k = 0.1923 0.3331 0.5300 ( 1686 PWs) bands (ev): -29.1374 -29.1374 -10.2000 -10.1949 -8.8344 -8.8334 -8.7159 -8.7054 2.1347 2.1697 7.0365 7.1786 7.8869 7.9191 8.0605 8.3411 9.3636 9.4923 10.1421 10.6158 10.9146 11.0314 11.4351 11.4840 11.7256 12.2593 13.4140 13.4676 16.2663 16.4299 16.9223 16.9277 17.7094 17.7223 k = 0.1859 0.3220 0.5300 ( 1690 PWs) bands (ev): -29.1377 -29.1377 -10.1990 -10.1943 -8.8344 -8.8335 -8.7128 -8.7030 2.1148 2.1469 7.0377 7.1862 7.8768 7.9021 8.0128 8.2873 9.3744 9.4871 10.2352 10.7139 10.8974 11.0082 11.3998 11.4360 11.8090 12.3472 13.4794 13.5304 16.2263 16.3897 16.8730 16.8812 17.6838 17.6964 k = 0.1795 0.3109 0.5300 ( 1686 PWs) bands (ev): -29.1379 -29.1379 -10.1981 -10.1937 -8.8344 -8.8335 -8.7096 -8.7006 2.0950 2.1244 7.0375 7.1909 7.8672 7.8764 7.9779 8.2343 9.3834 9.4809 10.3312 10.8070 10.8809 10.9810 11.3663 11.3951 11.9000 12.4370 13.5491 13.5972 16.1882 16.3510 16.8257 16.8366 17.6554 17.6676 k = 0.1731 0.2998 0.5300 ( 1678 PWs) bands (ev): -29.1381 -29.1381 -10.1971 -10.1931 -8.8344 -8.8336 -8.7064 -8.6981 2.0754 2.1021 7.0360 7.1926 7.8409 7.8578 7.9569 8.1830 9.3904 9.4737 10.4256 10.8208 10.9368 10.9530 11.3411 11.3625 11.9951 12.5285 13.6227 13.6677 16.1520 16.3140 16.7804 16.7940 17.6245 17.6362 k = 0.1667 0.2887 0.5300 ( 1670 PWs) bands (ev): -29.1384 -29.1384 -10.1962 -10.1925 -8.8344 -8.8336 -8.7032 -8.6955 2.0561 2.0802 7.0332 7.1911 7.8003 7.8479 7.9456 8.1344 9.3954 9.4656 10.5094 10.7818 10.9327 11.0338 11.3302 11.3388 12.0932 12.6215 13.7000 13.7418 16.1177 16.2785 16.7370 16.7533 17.5915 17.6026 k = 0.1603 0.2776 0.5300 ( 1674 PWs) bands (ev): -29.1386 -29.1386 -10.1952 -10.1919 -8.8344 -8.8337 -8.6999 -8.6929 2.0370 2.0587 7.0293 7.1865 7.7593 7.8369 7.9394 8.0895 9.3985 9.4565 10.5653 10.7318 10.9367 11.1176 11.3244 11.3467 12.1937 12.7160 13.7807 13.8193 16.0853 16.2447 16.6955 16.7143 17.5567 17.5670 k = 0.1538 0.2665 0.5300 ( 1678 PWs) bands (ev): -29.1389 -29.1389 -10.1943 -10.1913 -8.8344 -8.8337 -8.6966 -8.6903 2.0183 2.0377 7.0243 7.1787 7.7200 7.8237 7.9364 8.0498 9.3997 9.4466 10.5771 10.6752 10.9793 11.1658 11.3213 11.4090 12.2965 12.8120 13.8646 13.8999 16.0548 16.2125 16.6559 16.6772 17.5204 17.5299 k = 0.1474 0.2554 0.5300 ( 1678 PWs) bands (ev): -29.1392 -29.1392 -10.1933 -10.1907 -8.8344 -8.8337 -8.6933 -8.6877 1.9999 2.0173 7.0183 7.1679 7.6835 7.8069 7.9356 8.0169 9.3990 9.4358 10.5509 10.6141 11.0481 11.1825 11.3356 11.5114 12.4015 12.9093 13.9516 13.9836 16.0261 16.1818 16.6180 16.6417 17.4830 17.4914 k = 0.1410 0.2443 0.5300 ( 1684 PWs) bands (ev): -29.1394 -29.1394 -10.1924 -10.1901 -8.8344 -8.8338 -8.6901 -8.6850 1.9821 1.9974 7.0114 7.1543 7.6501 7.7855 7.9364 7.9918 9.3964 9.4241 10.5039 10.5500 11.1127 11.1862 11.3808 11.6337 12.5084 13.0079 14.0412 14.0702 15.9993 16.1527 16.5819 16.6080 17.4446 17.4519 k = 0.1346 0.2332 0.5300 ( 1682 PWs) bands (ev): -29.1397 -29.1397 -10.1915 -10.1894 -8.8344 -8.8338 -8.6868 -8.6823 1.9647 1.9782 7.0038 7.1381 7.6200 7.7596 7.9388 7.9748 9.3920 9.4116 10.4470 10.4843 11.1519 11.1857 11.4670 11.7661 12.6174 13.1077 14.1335 14.1595 15.9742 16.1251 16.5476 16.5758 17.4054 17.4115 k = 0.1282 0.2221 0.5300 ( 1682 PWs) bands (ev): -29.1399 -29.1399 -10.1907 -10.1888 -8.8343 -8.8338 -8.6836 -8.6797 1.9479 1.9597 6.9954 7.1198 7.5931 7.7302 7.9426 7.9648 9.3856 9.3983 10.3858 10.4180 11.1694 11.1838 11.5849 11.9045 12.7284 13.2087 14.2282 14.2513 15.9509 16.0990 16.5149 16.5451 17.3656 17.3705 k = 0.1218 0.2110 0.5300 ( 1674 PWs) bands (ev): -29.1401 -29.1401 -10.1898 -10.1882 -8.8343 -8.8339 -8.6805 -8.6770 1.9317 1.9419 6.9865 7.0998 7.5691 7.6988 7.9476 7.9605 9.3775 9.3841 10.3230 10.3521 11.1761 11.1815 11.7209 12.0472 12.8415 13.3108 14.3251 14.3455 15.9292 16.0743 16.4839 16.5160 17.3254 17.3290 k = 0.1154 0.1999 0.5300 ( 1674 PWs) bands (ev): -29.1404 -29.1404 -10.1890 -10.1877 -8.8343 -8.8339 -8.6774 -8.6744 1.9161 1.9248 6.9770 7.0785 7.5476 7.6668 7.9539 7.9605 9.3674 9.3690 10.2604 10.2872 11.1780 11.1791 11.8674 12.1932 12.9566 13.4140 14.4240 14.4419 15.9092 16.0510 16.4545 16.4883 17.2847 17.2870 k = 0.1090 0.1887 0.5300 ( 1678 PWs) bands (ev): -29.1406 -29.1406 -10.1883 -10.1871 -8.8343 -8.8340 -8.6743 -8.6718 1.9011 1.9086 6.9670 7.0566 7.5284 7.6352 7.9613 7.9638 9.3531 9.3555 10.1991 10.2239 11.1767 11.1776 12.0207 12.3418 13.0738 13.5181 14.5247 14.5403 15.8906 16.0290 16.4267 16.4620 17.2436 17.2446 k = 0.1026 0.1776 0.5300 ( 1674 PWs) bands (ev): -29.1409 -29.1409 -10.1875 -10.1865 -8.8343 -8.8340 -8.6714 -8.6692 1.8869 1.8931 6.9567 7.0344 7.5112 7.6048 7.9697 7.9698 9.3363 9.3418 10.1399 10.1629 11.1742 11.1761 12.1790 12.4922 13.1933 13.6231 14.6270 14.6405 15.8735 16.0081 16.4003 16.4371 17.2018 17.2020 k = 0.0962 0.1665 0.5300 ( 1678 PWs) bands (ev): -29.1411 -29.1411 -10.1868 -10.1860 -8.8343 -8.8341 -8.6686 -8.6667 1.8734 1.8785 6.9462 7.0123 7.4955 7.5758 7.9775 7.9794 9.3185 9.3262 10.0834 10.1046 11.1717 11.1739 12.3410 12.6438 13.3149 13.7289 14.7307 14.7423 15.8577 15.9884 16.3753 16.4134 17.1583 17.1597 k = 0.0897 0.1554 0.5300 ( 1674 PWs) bands (ev): -29.1413 -29.1413 -10.1862 -10.1855 -8.8343 -8.8341 -8.6658 -8.6643 1.8606 1.8648 6.9355 6.9908 7.4812 7.5488 7.9870 7.9898 9.2998 9.3089 10.0302 10.0494 11.1693 11.1714 12.5058 12.7962 13.4389 13.8352 14.8355 14.8454 15.8431 15.9697 16.3515 16.3910 17.1141 17.1158 k = 0.0833 0.1443 0.5300 ( 1678 PWs) bands (ev): -29.1415 -29.1415 -10.1856 -10.1850 -8.8343 -8.8342 -8.6632 -8.6620 1.8485 1.8520 6.9248 6.9701 7.4681 7.5237 7.9979 8.0011 9.2802 9.2898 9.9806 9.9977 11.1668 11.1687 12.6729 12.9485 13.5653 13.9420 14.9413 14.9497 15.8296 15.9517 16.3289 16.3698 17.0673 17.0685 k = 0.0769 0.1332 0.5300 ( 1672 PWs) bands (ev): -29.1417 -29.1417 -10.1850 -10.1846 -8.8344 -8.8342 -8.6608 -8.6598 1.8373 1.8400 6.9141 6.9505 7.4560 7.5008 8.0098 8.0130 9.2598 9.2693 9.9349 9.9498 11.1644 11.1660 12.8416 13.1001 13.6941 14.0491 15.0477 15.0548 15.8170 15.9344 16.3070 16.3496 16.9894 17.0207 k = 0.0705 0.1221 0.5300 ( 1664 PWs) bands (ev): -29.1419 -29.1419 -10.1845 -10.1841 -8.8344 -8.8343 -8.6585 -8.6577 1.8269 1.8290 6.9036 6.9321 7.4449 7.4801 8.0225 8.0255 9.2386 9.2474 9.8934 9.9059 11.1620 11.1633 13.0112 13.2504 13.8253 14.1561 15.1544 15.1604 15.8052 15.9175 16.2856 16.3304 16.8712 16.9686 k = 0.0641 0.1110 0.5300 ( 1664 PWs) bands (ev): -29.1420 -29.1420 -10.1840 -10.1837 -8.8344 -8.8343 -8.6563 -8.6557 1.8173 1.8189 6.8934 6.9151 7.4346 7.4615 8.0357 8.0384 9.2169 9.2247 9.8561 9.8663 11.1596 11.1607 13.1811 13.3984 13.9590 14.2628 15.2610 15.2662 15.7940 15.9006 16.2636 16.3119 16.7487 16.9064 k = 0.0577 0.0999 0.5300 ( 1666 PWs) bands (ev): -29.1422 -29.1422 -10.1835 -10.1834 -8.8344 -8.8344 -8.6543 -8.6539 1.8086 1.8097 6.8837 6.8997 7.4252 7.4450 8.0491 8.0514 9.1950 9.2014 9.8229 9.8310 11.1574 11.1582 13.3503 13.5435 14.0949 14.3688 15.3668 15.3715 15.7834 15.8834 16.2396 16.2936 16.6308 16.8194 k = 0.0513 0.0888 0.5300 ( 1662 PWs) bands (ev): -29.1423 -29.1423 -10.1832 -10.1830 -8.8345 -8.8344 -8.6525 -8.6522 1.8007 1.8015 6.8745 6.8858 7.4166 7.4306 8.0625 8.0643 9.1731 9.1782 9.7939 9.7999 11.1553 11.1558 13.5180 13.6845 14.2326 14.4737 15.4709 15.4756 15.7736 15.8653 16.2103 16.2744 16.5226 16.7028 k = 0.0449 0.0777 0.5300 ( 1662 PWs) bands (ev): -29.1424 -29.1424 -10.1828 -10.1827 -8.8345 -8.8345 -8.6509 -8.6507 1.7938 1.7943 6.8659 6.8736 7.4088 7.4183 8.0755 8.0768 9.1519 9.1556 9.7689 9.7732 11.1533 11.1537 13.6825 13.8205 14.3716 14.5769 15.5706 15.5772 15.7661 15.8462 16.1702 16.2518 16.4315 16.5746 k = 0.0385 0.0666 0.5300 ( 1662 PWs) bands (ev): -29.1426 -29.1426 -10.1825 -10.1825 -8.8345 -8.8345 -8.6495 -8.6494 1.7877 1.7880 6.8582 6.8630 7.4018 7.4079 8.0878 8.0887 9.1318 9.1343 9.7477 9.7505 11.1515 11.1518 13.8420 13.9501 14.5109 14.6779 15.6556 15.6715 15.7700 15.8279 16.1141 16.2182 16.3651 16.4533 k = 0.0321 0.0555 0.5300 ( 1662 PWs) bands (ev): -29.1426 -29.1426 -10.1823 -10.1822 -8.8345 -8.8345 -8.6483 -8.6483 1.7825 1.7827 6.8513 6.8542 7.3958 7.3993 8.0990 8.0996 9.1134 9.1150 9.7301 9.7318 11.1500 11.1501 13.9935 14.0716 14.6490 14.7761 15.6908 15.7331 15.8179 15.8319 16.0460 16.1567 16.3236 16.3623 k = 0.0256 0.0444 0.5300 ( 1658 PWs) bands (ev): -29.1427 -29.1427 -10.1821 -10.1821 -8.8346 -8.8346 -8.6474 -8.6473 1.7782 1.7783 6.8455 6.8470 7.3907 7.3925 8.1088 8.1091 9.0973 9.0981 9.7159 9.7168 11.1487 11.1487 14.1327 14.1824 14.7837 14.8708 15.6825 15.7201 15.8868 15.8987 15.9865 16.0631 16.2995 16.3144 k = 0.0192 0.0333 0.5300 ( 1662 PWs) bands (ev): -29.1428 -29.1428 -10.1819 -10.1819 -8.8346 -8.8346 -8.6466 -8.6466 1.7749 1.7750 6.8408 6.8415 7.3866 7.3874 8.1168 8.1169 9.0840 9.0844 9.7050 9.7054 11.1476 11.1477 14.2534 14.2791 14.9114 14.9614 15.6563 15.6741 15.8830 15.9305 16.0115 16.0144 16.2865 16.2929 k = 0.0128 0.0222 0.5300 ( 1670 PWs) bands (ev): -29.1429 -29.1429 -10.1818 -10.1818 -8.8346 -8.8346 -8.6460 -8.6460 1.7725 1.7725 6.8374 6.8376 7.3836 7.3838 8.1228 8.1228 9.0741 9.0742 9.6973 9.6974 11.1469 11.1469 14.3476 14.3566 15.0254 15.0458 15.6138 15.6166 15.8396 15.8576 16.0854 16.0866 16.2824 16.2853 k = 0.0064 0.0111 0.5300 ( 1670 PWs) bands (ev): -29.1429 -29.1429 -10.1817 -10.1817 -8.8346 -8.8346 -8.6457 -8.6457 1.7711 1.7711 6.8353 6.8353 7.3817 7.3817 8.1264 8.1264 9.0679 9.0679 9.6927 9.6927 11.1464 11.1464 14.4072 14.4084 15.1121 15.1155 15.5623 15.5628 15.8080 15.8103 16.1507 16.1510 16.2915 16.2923 k = 0.0000 0.0000 0.5300 ( 1670 PWs) bands (ev): -29.1429 -29.1429 -10.1817 -10.1817 -8.8346 -8.8346 -8.6456 -8.6456 1.7706 1.7706 6.8345 6.8345 7.3811 7.3811 8.1277 8.1277 9.0659 9.0659 9.6912 9.6912 11.1462 11.1462 14.4272 14.4272 15.1463 15.1463 15.5373 15.5373 15.7962 15.7962 16.1775 16.1775 16.3142 16.3142 k = 0.5000 0.2887 0.5300 ( 1672 PWs) bands (ev): -29.1357 -29.1357 -10.2035 -10.2035 -8.8390 -8.8390 -8.7241 -8.7241 2.2912 2.2912 7.3197 7.3197 7.8719 7.8719 8.5215 8.5215 9.5985 9.5985 9.8593 9.8593 10.7271 10.7271 11.0975 11.0975 12.0700 12.0700 12.8617 12.8617 16.9167 16.9167 17.1742 17.1742 17.9021 17.9021 k = 0.5000 0.2887 0.5171 ( 1672 PWs) bands (ev): -29.1357 -29.1357 -10.2037 -10.2032 -8.8391 -8.8386 -8.7243 -8.7240 2.2906 2.2917 7.3059 7.3292 7.8565 7.8918 8.5203 8.5225 9.5911 9.6050 9.8581 9.8591 10.7256 10.7315 11.0891 11.0950 12.0557 12.0870 12.8514 12.8847 16.9124 16.9139 17.1727 17.1745 17.8956 17.9036 k = 0.5000 0.2887 0.5042 ( 1672 PWs) bands (ev): -29.1357 -29.1357 -10.2037 -10.2029 -8.8390 -8.8379 -8.7245 -8.7239 2.2899 2.2919 7.2885 7.3336 7.8465 7.9156 8.5192 8.5236 9.5828 9.6104 9.8555 9.8573 10.7270 10.7387 11.0704 11.0821 12.0450 12.1056 12.8544 12.9191 16.9011 16.9041 17.1702 17.1736 17.8845 17.9000 k = 0.5000 0.2887 0.4912 ( 1668 PWs) bands (ev): -29.1358 -29.1358 -10.2036 -10.2024 -8.8387 -8.8370 -8.7247 -8.7239 2.2889 2.2920 7.2684 7.3325 7.8425 7.9422 8.5179 8.5247 9.5738 9.6148 9.8516 9.8540 10.7315 10.7482 11.0423 11.0594 12.0384 12.1247 12.8710 12.9636 16.8832 16.8873 17.1665 17.1717 17.8693 17.8916 k = 0.5000 0.2887 0.4783 ( 1668 PWs) bands (ev): -29.1359 -29.1358 -10.2035 -10.2018 -8.8381 -8.8358 -8.7250 -8.7239 2.2878 2.2918 7.2461 7.3257 7.8444 7.9709 8.5165 8.5259 9.5641 9.6180 9.8464 9.8492 10.7390 10.7597 11.0065 11.0281 12.0363 12.1435 12.9008 13.0167 16.8589 16.8640 17.1617 17.1686 17.8509 17.8791 k = 0.5000 0.2887 0.4654 ( 1664 PWs) bands (ev): -29.1360 -29.1359 -10.2032 -10.2011 -8.8372 -8.8344 -8.7254 -8.7240 2.2865 2.2915 7.2223 7.3135 7.8521 8.0010 8.5150 8.5273 9.5539 9.6200 9.8401 9.8429 10.7496 10.7717 10.9656 10.9894 12.0383 12.1619 12.9425 13.0771 16.8289 16.8344 17.1559 17.1646 17.8301 17.8629 k = 0.5000 0.2887 0.4525 ( 1670 PWs) bands (ev): -29.1361 -29.1361 -10.2028 -10.2002 -8.8361 -8.8328 -8.7257 -8.7241 2.2851 2.2910 7.1974 7.2967 7.8647 8.0319 8.5135 8.5290 9.5432 9.6208 9.8327 9.8352 10.7631 10.7811 10.9244 10.9447 12.0441 12.1799 12.9947 13.1434 16.7938 16.7994 17.1491 17.1596 17.8076 17.8440 k = 0.5000 0.2887 0.4395 ( 1674 PWs) bands (ev): -29.1363 -29.1363 -10.2022 -10.1994 -8.8348 -8.8310 -8.7261 -8.7243 2.2835 2.2904 7.1716 7.2759 7.8817 8.0630 8.5118 8.5312 9.5321 9.6204 9.8243 9.8262 10.7780 10.7795 10.8938 10.8952 12.0535 12.1978 13.0557 13.2146 16.7542 16.7595 17.1413 17.1536 17.7840 17.8229 k = 0.5000 0.2887 0.4266 ( 1674 PWs) bands (ev): -29.1365 -29.1364 -10.2016 -10.1984 -8.8333 -8.8290 -8.7265 -8.7244 2.2818 2.2895 7.1454 7.2521 7.9019 8.0939 8.5101 8.5339 9.5206 9.6187 9.8151 9.8160 10.7495 10.7981 10.8428 10.8881 12.0661 12.2160 13.1236 13.2894 16.7109 16.7156 17.1327 17.1467 17.7597 17.8003 k = 0.5000 0.2887 0.4137 ( 1678 PWs) bands (ev): -29.1367 -29.1367 -10.2009 -10.1973 -8.8315 -8.8268 -8.7269 -8.7246 2.2799 2.2884 7.1188 7.2259 7.9248 8.1241 8.5084 8.5375 9.5088 9.6159 9.8047 9.8052 10.7015 10.7843 10.8229 10.9022 12.0814 12.2350 13.1968 13.3670 16.6647 16.6685 17.1232 17.1390 17.7351 17.7766 k = 0.5000 0.2887 0.4007 ( 1676 PWs) bands (ev): -29.1369 -29.1369 -10.2001 -10.1962 -8.8296 -8.8244 -8.7273 -8.7248 2.2779 2.2872 7.0921 7.1979 7.9496 8.1530 8.5066 8.5420 9.4968 9.6119 9.7924 9.7946 10.6458 10.7278 10.8467 10.9254 12.0994 12.2550 13.2740 13.4464 16.6164 16.6192 17.1128 17.1306 17.7104 17.7522 k = 0.5000 0.2887 0.3878 ( 1676 PWs) bands (ev): -29.1372 -29.1371 -10.1992 -10.1950 -8.8275 -8.8219 -8.7277 -8.7250 2.2758 2.2858 7.0654 7.1687 7.9757 8.1803 8.5050 8.5478 9.4845 9.6067 9.7795 9.7836 10.5872 10.6696 10.8737 10.9532 12.1197 12.2762 13.3539 13.5269 16.5668 16.5685 17.1017 17.1214 17.6855 17.7272 k = 0.5000 0.2887 0.3749 ( 1676 PWs) bands (ev): -29.1374 -29.1374 -10.1983 -10.1938 -8.8252 -8.8193 -8.7280 -8.7251 2.2735 2.2843 7.0387 7.1387 8.0027 8.2056 8.5034 8.5550 9.4719 9.6003 9.7660 9.7722 10.5280 10.6112 10.9032 10.9840 12.1421 12.2988 13.4353 13.6077 16.5167 16.5173 17.0899 17.1116 17.6606 17.7020 k = 0.5000 0.2887 0.3620 ( 1668 PWs) bands (ev): -29.1377 -29.1376 -10.1972 -10.1925 -8.8229 -8.8167 -8.7282 -8.7253 2.2711 2.2825 7.0122 7.1081 8.0301 8.2283 8.5020 8.5639 9.4591 9.5928 9.7522 9.7607 10.4693 10.5532 10.9349 11.0171 12.1666 12.3228 13.5173 13.6880 16.4664 16.4668 17.0776 17.1012 17.6357 17.6765 k = 0.5000 0.2887 0.3490 ( 1672 PWs) bands (ev): -29.1380 -29.1379 -10.1961 -10.1912 -8.8204 -8.8140 -8.7284 -8.7253 2.2687 2.2806 6.9859 7.0773 8.0576 8.2483 8.5008 8.5745 9.4460 9.5841 9.7382 9.7490 10.4119 10.4962 10.9686 11.0520 12.1930 12.3483 13.5990 13.7672 16.4166 16.4179 17.0646 17.0904 17.6107 17.6509 k = 0.5000 0.2887 0.3361 ( 1672 PWs) bands (ev): -29.1383 -29.1382 -10.1950 -10.1899 -8.8179 -8.8112 -8.7284 -8.7253 2.2661 2.2786 6.9599 7.0463 8.0848 8.2655 8.4999 8.5867 9.4326 9.5741 9.7242 9.7375 10.3563 10.4407 11.0040 11.0885 12.2212 12.3752 13.6796 13.8446 16.3686 16.3706 17.0513 17.0792 17.5855 17.6252 k = 0.5000 0.2887 0.3232 ( 1676 PWs) bands (ev): -29.1386 -29.1385 -10.1938 -10.1885 -8.8153 -8.8086 -8.7283 -8.7252 2.2635 2.2764 6.9342 7.0155 8.1114 8.2797 8.4994 8.6004 9.4189 9.5629 9.7105 9.7263 10.3030 10.3870 11.0412 11.1262 12.2511 12.4036 13.7583 13.9195 16.3234 16.3256 17.0376 17.0678 17.5602 17.5994 k = 0.5000 0.2887 0.3103 ( 1686 PWs) bands (ev): -29.1390 -29.1389 -10.1926 -10.1872 -8.8128 -8.8059 -8.7281 -8.7250 2.2608 2.2740 6.9089 6.9849 8.1372 8.2912 8.4993 8.6154 9.4049 9.5504 9.6972 9.7155 10.2523 10.3356 11.0797 11.1650 12.2826 12.4333 13.8344 13.9912 16.2815 16.2837 17.0237 17.0562 17.5348 17.5737 k = 0.5000 0.2887 0.2973 ( 1686 PWs) bands (ev): -29.1393 -29.1392 -10.1913 -10.1858 -8.8102 -8.8034 -8.7277 -8.7246 2.2581 2.2716 6.8840 6.9547 8.1619 8.3003 8.4999 8.6311 9.3905 9.5367 9.6845 9.7052 10.2046 10.2867 11.1194 11.2047 12.3156 12.4643 13.9071 14.0591 16.2439 16.2456 17.0097 17.0447 17.5092 17.5481 k = 0.5000 0.2887 0.2844 ( 1690 PWs) bands (ev): -29.1397 -29.1396 -10.1900 -10.1845 -8.8078 -8.8010 -8.7271 -8.7241 2.2553 2.2690 6.8595 6.9250 8.1852 8.3072 8.5013 8.6470 9.3758 9.5217 9.6725 9.6955 10.1600 10.2406 11.1602 11.2450 12.3500 12.4964 13.9757 14.1224 16.2113 16.2119 16.9957 17.0332 17.4834 17.5226 k = 0.5000 0.2887 0.2715 ( 1692 PWs) bands (ev): -29.1400 -29.1399 -10.1887 -10.1832 -8.8054 -8.7988 -8.7262 -8.7235 2.2525 2.2663 6.8355 6.8958 8.2068 8.3123 8.5035 8.6628 9.3609 9.5054 9.6614 9.6865 10.1187 10.1975 11.2018 11.2857 12.3857 12.5297 14.0395 14.1805 16.1834 16.1844 16.9820 17.0221 17.4574 17.4972 k = 0.5000 0.2887 0.2585 ( 1692 PWs) bands (ev): -29.1403 -29.1403 -10.1874 -10.1819 -8.8032 -8.7968 -8.7252 -8.7226 2.2497 2.2636 6.8121 6.8674 8.2266 8.3160 8.5067 8.6778 9.3458 9.4881 9.6514 9.6783 10.0809 10.1575 11.2440 11.3267 12.4226 12.5639 14.0978 14.2328 16.1608 16.1640 16.9686 17.0113 17.4313 17.4722 k = 0.5000 0.2887 0.2456 ( 1686 PWs) bands (ev): -29.1407 -29.1406 -10.1861 -10.1806 -8.8011 -8.7951 -8.7239 -8.7216 2.2470 2.2608 6.7892 6.8396 8.2444 8.3185 8.5109 8.6917 9.3306 9.4699 9.6424 9.6708 10.0465 10.1206 11.2865 11.3677 12.4605 12.5989 14.1500 14.2785 16.1446 16.1508 16.9558 17.0011 17.4050 17.4474 k = 0.5000 0.2887 0.2327 ( 1686 PWs) bands (ev): -29.1410 -29.1409 -10.1848 -10.1794 -8.7992 -8.7935 -8.7224 -8.7204 2.2442 2.2579 6.7670 6.8127 8.2599 8.3200 8.5163 8.7041 9.3155 9.4508 9.6346 9.6640 10.0155 10.0870 11.3293 11.4085 12.4994 12.6346 14.1957 14.3173 16.1356 16.1454 16.9436 16.9917 17.3787 17.4231 k = 0.5000 0.2887 0.2198 ( 1690 PWs) bands (ev): -29.1413 -29.1412 -10.1836 -10.1782 -8.7975 -8.7922 -8.7206 -8.7190 2.2415 2.2550 6.7455 6.7868 8.2732 8.3208 8.5227 8.7148 9.3007 9.4313 9.6280 9.6580 9.9878 10.0564 11.3719 11.4490 12.5390 12.6708 14.2342 14.3489 16.1339 16.1481 16.9323 16.9832 17.3522 17.3993 k = 0.5000 0.2887 0.2068 ( 1686 PWs) bands (ev): -29.1416 -29.1416 -10.1823 -10.1771 -8.7960 -8.7911 -8.7187 -8.7174 2.2389 2.2521 6.7247 6.7618 8.2844 8.3211 8.5301 8.7234 9.2864 9.4114 9.6227 9.6528 9.9634 10.0289 11.4142 11.4887 12.5793 12.7074 14.2656 14.3730 16.1401 16.1592 16.9221 16.9757 17.3258 17.3762 k = 0.5000 0.2887 0.1939 ( 1682 PWs) bands (ev): -29.1419 -29.1419 -10.1811 -10.1761 -8.7947 -8.7903 -8.7167 -8.7157 2.2364 2.2492 6.7047 6.7379 8.2934 8.3211 8.5384 8.7300 9.2727 9.3915 9.6186 9.6482 9.9421 10.0043 11.4559 11.5276 12.6200 12.7441 14.2898 14.3899 16.1541 16.1787 16.9131 16.9695 17.2995 17.3537 k = 0.5000 0.2887 0.1810 ( 1686 PWs) bands (ev): -29.1423 -29.1422 -10.1799 -10.1751 -8.7936 -8.7896 -8.7145 -8.7138 2.2339 2.2463 6.6856 6.7151 8.3006 8.3207 8.5473 8.7344 9.2598 9.3718 9.6156 9.6442 9.9236 9.9824 11.4968 11.5654 12.6610 12.7807 14.3070 14.3999 16.1758 16.2063 16.9055 16.9647 17.2732 17.3321 k = 0.5000 0.2887 0.1681 ( 1694 PWs) bands (ev): -29.1426 -29.1425 -10.1788 -10.1742 -8.7927 -8.7891 -8.7123 -8.7119 2.2316 2.2435 6.6675 6.6935 8.3061 8.3202 8.5565 8.7366 9.2479 9.3526 9.6137 9.6409 9.9077 9.9629 11.5367 11.6019 12.7020 12.8170 14.3176 14.4035 16.2047 16.2418 16.8996 16.9614 17.2472 17.3114 k = 0.5000 0.2887 0.1551 ( 1694 PWs) bands (ev): -29.1429 -29.1428 -10.1777 -10.1733 -8.7919 -8.7888 -8.7101 -8.7099 2.2295 2.2407 6.6504 6.6732 8.3103 8.3195 8.5659 8.7368 9.2372 9.3341 9.6127 9.6382 9.8942 9.9457 11.5753 11.6368 12.7428 12.8526 14.3223 14.4015 16.2405 16.2844 16.8954 16.9600 17.2214 17.2918 k = 0.5000 0.2887 0.1422 ( 1698 PWs) bands (ev): -29.1431 -29.1431 -10.1766 -10.1725 -8.7913 -8.7885 -8.7078 -8.7078 2.2275 2.2381 6.6343 6.6542 8.3133 8.3188 8.5752 8.7352 9.2277 9.3164 9.6126 9.6360 9.8829 9.9306 11.6122 11.6698 12.7831 12.8873 14.3219 14.3946 16.2823 16.3335 16.8932 16.9605 17.1960 17.2733 k = 0.5000 0.2887 0.1293 ( 1694 PWs) bands (ev): -29.1433 -29.1433 -10.1757 -10.1719 -8.7909 -8.7884 -8.7058 -8.7057 2.2256 2.2355 6.6194 6.6367 8.3153 8.3181 8.5844 8.7319 9.2195 9.2998 9.6131 9.6343 9.8735 9.9173 11.6474 11.7007 12.8227 12.9208 14.3174 14.3839 16.3292 16.3883 16.8930 16.9632 17.1711 17.2560 k = 0.5000 0.2887 0.1163 ( 1692 PWs) bands (ev): -29.1436 -29.1435 -10.1747 -10.1712 -8.7905 -8.7884 -8.7039 -8.7036 2.2240 2.2330 6.6057 6.6205 8.3167 8.3174 8.5932 8.7272 9.2126 9.2843 9.6142 9.6330 9.8659 9.9056 11.6804 11.7292 12.8611 12.9525 14.3096 14.3700 16.3804 16.4480 16.8950 16.9683 17.1467 17.2398 k = 0.5000 0.2887 0.1034 ( 1696 PWs) bands (ev): -29.1438 -29.1437 -10.1739 -10.1707 -8.7902 -8.7884 -8.7020 -8.7016 2.2225 2.2307 6.5934 6.6059 8.3168 8.3174 8.6017 8.7215 9.2069 9.2701 9.6157 9.6321 9.8598 9.8954 11.7111 11.7552 12.8981 12.9822 14.2996 14.3541 16.4348 16.5117 16.8991 16.9758 17.1231 17.2248 k = 0.5000 0.2887 0.0905 ( 1696 PWs) bands (ev): -29.1440 -29.1439 -10.1731 -10.1703 -8.7900 -8.7885 -8.7003 -8.6999 2.2213 2.2286 6.5823 6.5929 8.3163 8.3178 8.6098 8.7148 9.2024 9.2571 9.6175 9.6314 9.8552 9.8864 11.7393 11.7784 12.9332 13.0092 14.2883 14.3368 16.4912 16.5783 16.9054 16.9859 17.1006 17.2108 k = 0.5000 0.2887 0.0776 ( 1696 PWs) bands (ev): -29.1441 -29.1441 -10.1724 -10.1699 -8.7898 -8.7886 -8.6987 -8.6983 2.2202 2.2266 6.5727 6.5814 8.3159 8.3178 8.6176 8.7076 9.1991 9.2455 9.6193 9.6309 9.8517 9.8787 11.7646 11.7985 12.9660 13.0332 14.2767 14.3192 16.5484 16.6466 16.9137 16.9986 17.0796 17.1976 k = 0.5000 0.2887 0.0646 ( 1694 PWs) bands (ev): -29.1442 -29.1442 -10.1717 -10.1697 -8.7897 -8.7887 -8.6973 -8.6969 2.2194 2.2248 6.5645 6.5715 8.3156 8.3176 8.6252 8.7000 9.1969 9.2352 9.6212 9.6306 9.8494 9.8720 11.7869 11.8155 12.9959 13.0536 14.2657 14.3019 16.6048 16.7144 16.9239 17.0136 17.0611 17.1849 k = 0.5000 0.2887 0.0517 ( 1706 PWs) bands (ev): -29.1444 -29.1444 -10.1711 -10.1695 -8.7896 -8.7888 -8.6961 -8.6958 2.2189 2.2232 6.5579 6.5633 8.3154 8.3173 8.6325 8.6923 9.1959 9.2262 9.6230 9.6303 9.8480 9.8662 11.8059 11.8290 13.0226 13.0699 14.2562 14.2858 16.6591 16.7778 16.9367 17.0297 17.0469 17.1727 k = 0.5000 0.2887 0.0388 ( 1702 PWs) bands (ev): -29.1445 -29.1444 -10.1706 -10.1694 -8.7895 -8.7889 -8.6952 -8.6949 2.2186 2.2218 6.5528 6.5568 8.3153 8.3169 8.6397 8.6844 9.1959 9.2184 9.6246 9.6300 9.8476 9.8612 11.8216 11.8391 13.0454 13.0817 14.2489 14.2715 16.7097 16.8276 16.9561 17.0397 17.0444 17.1609 k = 0.5000 0.2887 0.0259 ( 1698 PWs) bands (ev): -29.1445 -29.1445 -10.1702 -10.1694 -8.7894 -8.7890 -8.6945 -8.6943 2.2185 2.2207 6.5493 6.5519 8.3153 8.3164 8.6469 8.6767 9.1969 9.2119 9.6260 9.6295 9.8480 9.8571 11.8338 11.8455 13.0640 13.0885 14.2443 14.2597 16.7550 16.8503 16.9892 17.0426 17.0536 17.1484 k = 0.5000 0.2887 0.0129 ( 1698 PWs) bands (ev): -29.1445 -29.1445 -10.1699 -10.1695 -8.7893 -8.7891 -8.6940 -8.6939 2.2187 2.2198 6.5475 6.5487 8.3155 8.3161 8.6542 8.6690 9.1991 9.2065 9.6273 9.6290 9.8491 9.8537 11.8423 11.8482 13.0778 13.0902 14.2430 14.2508 16.7940 16.8460 17.0251 17.0534 17.0615 17.1296 k = 0.5000 0.2887-0.0000 ( 1690 PWs) bands (ev): -29.1445 -29.1445 -10.1696 -10.1696 -8.7892 -8.7892 -8.6938 -8.6938 2.2191 2.2191 6.5473 6.5473 8.3157 8.3157 8.6615 8.6615 9.2022 9.2022 9.6282 9.6282 9.8511 9.8511 11.8471 11.8471 13.0867 13.0867 14.2452 14.2452 16.8252 16.8252 17.0442 17.0442 17.0980 17.0980 k = 0.3333 0.5774-0.0000 ( 1704 PWs) bands (ev): -29.1436 -29.1433 -10.1744 -10.1738 -8.7844 -8.7791 -8.7189 -8.7189 2.3199 2.3593 7.1781 7.2044 8.0354 8.1838 8.2592 8.6686 8.9694 9.0296 9.3458 9.4431 9.7656 10.0658 10.7937 11.2817 13.8904 14.1724 14.5059 14.5068 15.7583 15.7911 15.7998 15.9111 16.0937 16.1720 k = 0.3333 0.5774 0.0129 ( 1692 PWs) bands (ev): -29.1435 -29.1433 -10.1744 -10.1738 -8.7843 -8.7791 -8.7191 -8.7190 2.3200 2.3595 7.1775 7.2038 8.0361 8.1852 8.2591 8.6690 8.9704 9.0295 9.3460 9.4443 9.7654 10.0660 10.7931 11.2812 13.8817 14.1637 14.5043 14.5063 15.7561 15.7940 15.8146 15.9216 16.0956 16.1737 k = 0.3333 0.5774 0.0259 ( 1695 PWs) bands (ev): -29.1435 -29.1432 -10.1745 -10.1740 -8.7842 -8.7789 -8.7196 -8.7196 2.3205 2.3602 7.1759 7.2020 8.0384 8.1894 8.2590 8.6701 8.9734 9.0292 9.3465 9.4479 9.7646 10.0663 10.7914 11.2798 13.8563 14.1384 14.4996 14.5045 15.7570 15.8027 15.8509 15.9524 16.1012 16.1787 k = 0.3333 0.5774 0.0388 ( 1689 PWs) bands (ev): -29.1434 -29.1432 -10.1746 -10.1742 -8.7840 -8.7785 -8.7204 -8.7204 2.3212 2.3612 7.1733 7.1990 8.0420 8.1965 8.2588 8.6719 8.9784 9.0287 9.3473 9.4539 9.7634 10.0670 10.7887 11.2775 13.8162 14.0982 14.4918 14.5009 15.7659 15.8171 15.9025 16.0011 16.1110 16.1870 k = 0.3333 0.5774 0.0517 ( 1689 PWs) bands (ev): -29.1433 -29.1431 -10.1748 -10.1746 -8.7838 -8.7781 -8.7216 -8.7216 2.3222 2.3626 7.1696 7.1947 8.0470 8.2063 8.2585 8.6745 8.9854 9.0282 9.3485 9.4623 9.7618 10.0680 10.7849 11.2742 13.7638 14.0455 14.4811 14.4947 15.7828 15.8370 15.9673 16.0632 16.1271 16.1987 k = 0.3333 0.5774 0.0646 ( 1689 PWs) bands (ev): -29.1432 -29.1430 -10.1751 -10.1750 -8.7834 -8.7775 -8.7232 -8.7232 2.3234 2.3645 7.1648 7.1893 8.0532 8.2189 8.2581 8.6779 8.9942 9.0276 9.3501 9.4731 9.7597 10.0694 10.7800 11.2700 13.7017 13.9831 14.4676 14.4856 15.8072 15.8620 16.0437 16.1192 16.1660 16.2136 k = 0.3333 0.5774 0.0776 ( 1689 PWs) bands (ev): -29.1431 -29.1428 -10.1756 -10.1755 -8.7830 -8.7767 -8.7250 -8.7250 2.3249 2.3667 7.1591 7.1827 8.0606 8.2340 8.2576 8.6819 9.0049 9.0270 9.3520 9.4864 9.7572 10.0714 10.7740 11.2650 13.6324 13.9133 14.4515 14.4733 15.8382 15.8921 16.1299 16.1476 16.2318 16.2467 k = 0.3333 0.5774 0.0905 ( 1701 PWs) bands (ev): -29.1430 -29.1427 -10.1762 -10.1759 -8.7826 -8.7759 -8.7272 -8.7271 2.3267 2.3693 7.1523 7.1751 8.0689 8.2516 8.2568 8.6867 9.0174 9.0265 9.3542 9.5023 9.7544 10.0739 10.7671 11.2590 13.5579 13.8383 14.4330 14.4579 15.8750 15.9268 16.1717 16.2244 16.2532 16.3432 k = 0.3333 0.5774 0.1034 ( 1695 PWs) bands (ev): -29.1428 -29.1425 -10.1769 -10.1763 -8.7820 -8.7750 -8.7296 -8.7296 2.3287 2.3722 7.1446 7.1663 8.0781 8.2559 8.2717 8.6922 9.0263 9.0316 9.3568 9.5207 9.7513 10.0773 10.7592 11.2522 13.4798 13.7599 14.4123 14.4397 15.9170 15.9660 16.1977 16.2778 16.3254 16.4473 k = 0.3333 0.5774 0.1163 ( 1701 PWs) bands (ev): -29.1426 -29.1423 -10.1777 -10.1768 -8.7814 -8.7739 -8.7323 -8.7323 2.3310 2.3755 7.1360 7.1566 8.0878 8.2547 8.2939 8.6983 9.0264 9.0474 9.3597 9.5416 9.7480 10.0816 10.7503 11.2446 13.3994 13.6794 14.3896 14.4189 15.9637 16.0091 16.2264 16.3054 16.4317 16.5565 k = 0.3333 0.5774 0.1293 ( 1701 PWs) bands (ev): -29.1424 -29.1421 -10.1786 -10.1774 -8.7808 -8.7728 -8.7353 -8.7352 2.3335 2.3792 7.1266 7.1459 8.0979 8.2533 8.3183 8.7049 9.0271 9.0647 9.3630 9.5652 9.7446 10.0870 10.7405 11.2362 13.3180 13.5979 14.3649 14.3956 16.0147 16.0561 16.2579 16.3360 16.5416 16.6689 k = 0.3333 0.5774 0.1422 ( 1695 PWs) bands (ev): -29.1421 -29.1419 -10.1796 -10.1780 -8.7800 -8.7715 -8.7385 -8.7384 2.3362 2.3831 7.1163 7.1343 8.1082 8.2516 8.3445 8.7120 9.0286 9.0835 9.3667 9.5914 9.7412 10.0937 10.7299 11.2271 13.2363 13.5164 14.3383 14.3702 16.0694 16.1064 16.2923 16.3697 16.6541 16.7831 k = 0.3333 0.5774 0.1551 ( 1695 PWs) bands (ev): -29.1419 -29.1416 -10.1806 -10.1787 -8.7793 -8.7702 -8.7420 -8.7418 2.3391 2.3874 7.1053 7.1219 8.1185 8.2496 8.3725 8.7194 9.0309 9.1034 9.3706 9.6202 9.7379 10.1020 10.7185 11.2172 13.1550 13.4354 14.3100 14.3428 16.1276 16.1600 16.3294 16.4062 16.7680 16.8976 k = 0.3333 0.5774 0.1681 ( 1689 PWs) bands (ev): -29.1416 -29.1413 -10.1817 -10.1794 -8.7784 -8.7688 -8.7456 -8.7454 2.3421 2.3919 7.0936 7.1088 8.1285 8.2473 8.4019 8.7269 9.0344 9.1245 9.3749 9.6516 9.7348 10.1121 10.7063 11.2067 13.0747 13.3556 14.2800 14.3136 16.1890 16.2164 16.3692 16.4455 16.8819 17.0111 k = 0.3333 0.5774 0.1810 ( 1689 PWs) bands (ev): -29.1413 -29.1411 -10.1829 -10.1802 -8.7776 -8.7674 -8.7494 -8.7491 2.3454 2.3966 7.0812 7.0950 8.1382 8.2446 8.4325 8.7344 9.0393 9.1466 9.3795 9.6857 9.7320 10.1242 10.6934 11.1955 12.9958 13.2774 14.2483 14.2826 16.2533 16.2755 16.4115 16.4877 16.9949 17.1221 k = 0.3333 0.5774 0.1939 ( 1695 PWs) bands (ev): -29.1410 -29.1408 -10.1842 -10.1810 -8.7766 -8.7658 -8.7533 -8.7530 2.3487 2.4016 7.0683 7.0805 8.1472 8.2416 8.4641 8.7415 9.0456 9.1694 9.3844 9.7223 9.7298 10.1386 10.6799 11.1838 12.9189 13.2010 14.2149 14.2499 16.3204 16.3368 16.4562 16.5326 17.1055 17.2287 k = 0.3333 0.5774 0.2068 ( 1695 PWs) bands (ev): -29.1407 -29.1405 -10.1855 -10.1819 -8.7757 -8.7643 -8.7573 -8.7570 2.3522 2.4067 7.0550 7.0656 8.1555 8.2383 8.4963 8.7481 9.0536 9.1930 9.3896 9.7282 9.7614 10.1555 10.6657 11.1715 12.8440 13.1269 14.1798 14.2156 16.3899 16.4000 16.5032 16.5803 17.2124 17.3288 k = 0.3333 0.5774 0.2198 ( 1689 PWs) bands (ev): -29.1403 -29.1402 -10.1868 -10.1827 -8.7747 -8.7626 -8.7615 -8.7611 2.3558 2.4121 7.0412 7.0503 8.1629 8.2347 8.5289 8.7540 9.0631 9.2171 9.3950 9.7276 9.8029 10.1752 10.6510 11.1588 12.7717 13.0552 14.1429 14.1795 16.4617 16.4648 16.5522 16.6308 17.3137 17.4195 k = 0.3333 0.5774 0.2327 ( 1689 PWs) bands (ev): -29.1400 -29.1399 -10.1882 -10.1837 -8.7737 -8.7657 -8.7652 -8.7610 2.3595 2.4175 7.0272 7.0347 8.1695 8.2308 8.5614 8.7591 9.0743 9.2417 9.4006 9.7281 9.8468 10.1979 10.6358 11.1457 12.7020 12.9860 14.1044 14.1418 16.5308 16.5356 16.6032 16.6842 17.4072 17.4968 k = 0.3333 0.5774 0.2456 ( 1689 PWs) bands (ev): -29.1397 -29.1395 -10.1896 -10.1846 -8.7727 -8.7699 -8.7694 -8.7593 2.3632 2.4231 7.0129 7.0189 8.1751 8.2266 8.5937 8.7633 9.0868 9.2666 9.4064 9.7298 9.8928 10.2237 10.6202 11.1323 12.6352 12.9196 14.0640 14.1023 16.5973 16.6114 16.6559 16.7406 17.4897 17.5565 k = 0.3333 0.5774 0.2585 ( 1689 PWs) bands (ev): -29.1394 -29.1392 -10.1911 -10.1856 -8.7742 -8.7736 -8.7717 -8.7576 2.3670 2.4287 6.9985 7.0029 8.1796 8.2222 8.6253 8.7666 9.1004 9.2916 9.4123 9.7332 9.9409 10.2527 10.6043 11.1186 12.5715 12.8561 14.0219 14.0611 16.6638 16.6890 16.7102 16.8003 17.5574 17.5950 k = 0.3333 0.5774 0.2715 ( 1689 PWs) bands (ev): -29.1390 -29.1389 -10.1925 -10.1866 -8.7785 -8.7778 -8.7706 -8.7559 2.3708 2.4344 6.9840 6.9870 8.1832 8.2175 8.6560 8.7690 9.1146 9.3168 9.4186 9.7383 9.9909 10.2850 10.5879 11.1048 12.5110 12.7954 13.9780 14.0182 16.7298 16.7657 16.7682 16.8635 17.6066 17.6121 k = 0.3333 0.5774 0.2844 ( 1689 PWs) bands (ev): -29.1387 -29.1386 -10.1940 -10.1876 -8.7827 -8.7819 -8.7696 -8.7542 2.3746 2.4401 6.9696 6.9711 8.1859 8.2127 8.6854 8.7707 9.1292 9.3416 9.4255 9.7455 10.0424 10.3206 10.5714 11.0909 12.4539 12.7377 13.9323 13.9735 16.7948 16.8223 16.8487 16.9302 17.6112 17.6354 k = 0.3333 0.5774 0.2973 ( 1683 PWs) bands (ev): -29.1383 -29.1382 -10.1954 -10.1887 -8.7869 -8.7860 -8.7686 -8.7525 2.3784 2.4457 6.9553 6.9553 8.1877 8.2078 8.7133 8.7716 9.1436 9.3655 9.4334 9.7548 10.0954 10.3593 10.5546 11.0769 12.4003 12.6831 13.8849 13.9271 16.8583 16.8797 16.9305 17.0004 17.5975 17.6457 k = 0.3333 0.5774 0.3103 ( 1683 PWs) bands (ev): -29.1380 -29.1379 -10.1969 -10.1897 -8.7909 -8.7899 -8.7676 -8.7509 2.3821 2.4513 6.9398 6.9412 8.1886 8.2028 8.7395 8.7721 9.1574 9.3872 9.4437 9.7664 10.1496 10.4011 10.5376 11.0631 12.3504 12.6315 13.8359 13.8791 16.9204 16.9375 17.0133 17.0737 17.5759 17.6422 k = 0.3333 0.5774 0.3232 ( 1683 PWs) bands (ev): -29.1377 -29.1376 -10.1983 -10.1907 -8.7949 -8.7938 -8.7666 -8.7493 2.3858 2.4568 6.9247 6.9274 8.1888 8.1977 8.7638 8.7721 9.1703 9.4046 9.4583 9.7804 10.2045 10.4456 10.5205 11.0494 12.3042 12.5830 13.7853 13.8294 16.9809 16.9955 17.0968 17.1497 17.5498 17.6299 k = 0.3333 0.5774 0.3361 ( 1683 PWs) bands (ev): -29.1374 -29.1373 -10.1997 -10.1917 -8.7987 -8.7976 -8.7656 -8.7477 2.3893 2.4621 6.9100 6.9140 8.1883 8.1927 8.7718 8.7861 9.1820 9.4167 9.4780 9.7967 10.2599 10.4927 10.5032 11.0360 12.2619 12.5375 13.7333 13.7784 17.0398 17.0534 17.1806 17.2278 17.5214 17.6127 k = 0.3333 0.5774 0.3490 ( 1695 PWs) bands (ev): -29.1371 -29.1370 -10.2011 -10.1927 -8.8024 -8.8012 -8.7647 -8.7462 2.3927 2.4673 6.8959 6.9011 8.1873 8.1877 8.7712 8.8063 9.1923 9.4248 9.5015 9.8151 10.3153 10.4860 10.5418 11.0229 12.2235 12.4951 13.6802 13.7261 17.0970 17.1107 17.2641 17.3076 17.4923 17.5937 k = 0.3333 0.5774 0.3620 ( 1686 PWs) bands (ev): -29.1368 -29.1367 -10.2024 -10.1936 -8.8060 -8.8046 -8.7638 -8.7447 2.3961 2.4723 6.8823 6.8887 8.1829 8.1858 8.7705 8.8244 9.2012 9.4306 9.5268 9.8356 10.3704 10.4687 10.5926 11.0102 12.1892 12.4558 13.6262 13.6728 17.1524 17.1670 17.3458 17.3886 17.4634 17.5758 k = 0.3333 0.5774 0.3749 ( 1698 PWs) bands (ev): -29.1366 -29.1365 -10.2037 -10.1945 -8.8093 -8.8078 -8.7629 -8.7433 2.3992 2.4771 6.8695 6.8769 8.1781 8.1839 8.7697 8.8406 9.2087 9.4349 9.5529 9.8577 10.4245 10.4513 10.6445 10.9981 12.1591 12.4195 13.5718 13.6188 17.2058 17.2220 17.4210 17.4355 17.4704 17.5645 k = 0.3333 0.5774 0.3878 ( 1698 PWs) bands (ev): -29.1363 -29.1362 -10.2049 -10.1954 -8.8125 -8.8109 -8.7621 -8.7420 2.4022 2.4816 6.8573 6.8658 8.1736 8.1817 8.7688 8.8548 9.2148 9.4384 9.5788 9.8812 10.4341 10.4773 10.6971 10.9865 12.1331 12.3863 13.5173 13.5646 17.2569 17.2751 17.4089 17.4706 17.5523 17.5791 k = 0.3333 0.5774 0.4007 ( 1692 PWs) bands (ev): -29.1360 -29.1360 -10.2060 -10.1962 -8.8154 -8.8137 -8.7613 -8.7408 2.4050 2.4858 6.8460 6.8555 8.1693 8.1794 8.7679 8.8672 9.2197 9.4413 9.6041 9.9056 10.4168 10.5281 10.7495 10.9757 12.1113 12.3561 13.4633 13.5106 17.3054 17.3260 17.3840 17.4772 17.6341 17.6373 k = 0.3333 0.5774 0.4137 ( 1686 PWs) bands (ev): -29.1358 -29.1358 -10.2071 -10.1970 -8.8181 -8.8163 -8.7607 -8.7397 2.4075 2.4898 6.8356 6.8459 8.1653 8.1770 8.7671 8.8779 9.2235 9.4436 9.6284 9.9306 10.3997 10.5764 10.8012 10.9656 12.0936 12.3288 13.4104 13.4575 17.3508 17.3608 17.3742 17.4666 17.7129 17.7149 k = 0.3333 0.5774 0.4266 ( 1686 PWs) bands (ev): -29.1356 -29.1356 -10.2080 -10.1977 -8.8205 -8.8187 -8.7600 -8.7386 2.4099 2.4933 6.8261 6.8372 8.1616 8.1746 8.7663 8.8870 9.2264 9.4456 9.6512 9.9557 10.3827 10.6215 10.8513 10.9563 12.0800 12.3045 13.3593 13.4059 17.3401 17.3928 17.4188 17.4529 17.7915 17.7943 k = 0.3333 0.5774 0.4395 ( 1680 PWs) bands (ev): -29.1354 -29.1354 -10.2089 -10.1984 -8.8227 -8.8208 -8.7594 -8.7377 2.4120 2.4966 6.8177 6.8294 8.1583 8.1723 8.7656 8.8948 9.2286 9.4472 9.6721 9.9805 10.3660 10.6628 10.8990 10.9480 12.0701 12.2831 13.3109 13.3567 17.3215 17.4310 17.4393 17.4598 17.8691 17.8712 k = 0.3333 0.5774 0.4525 ( 1677 PWs) bands (ev): -29.1352 -29.1352 -10.2096 -10.1989 -8.8246 -8.8226 -8.7589 -8.7369 2.4138 2.4994 6.8102 6.8226 8.1553 8.1701 8.7649 8.9012 9.2301 9.4486 9.6910 10.0045 10.3496 10.6998 10.9406 10.9432 12.0635 12.2647 13.2660 13.3108 17.3051 17.4269 17.4649 17.4965 17.9439 17.9447 k = 0.3333 0.5774 0.4654 ( 1683 PWs) bands (ev): -29.1351 -29.1351 -10.2103 -10.1994 -8.8262 -8.8242 -8.7585 -8.7362 2.4154 2.5018 6.8038 6.8167 8.1528 8.1681 8.7644 8.9064 9.2312 9.4497 9.7074 10.0272 10.3339 10.7320 10.9343 10.9831 12.0598 12.2491 13.2256 13.2692 17.2912 17.4160 17.4943 17.5284 18.0133 18.0140 k = 0.3333 0.5774 0.4783 ( 1683 PWs) bands (ev): -29.1350 -29.1350 -10.2108 -10.1998 -8.8276 -8.8255 -8.7582 -8.7356 2.4167 2.5038 6.7986 6.8119 8.1507 8.1665 8.7639 8.9106 9.2319 9.4505 9.7212 10.0481 10.3191 10.7590 10.9290 11.0175 12.0584 12.2364 13.1908 13.2331 17.2798 17.4070 17.5189 17.5551 18.0755 18.0775 k = 0.3333 0.5774 0.4912 ( 1683 PWs) bands (ev): -29.1349 -29.1349 -10.2113 -10.2001 -8.8286 -8.8265 -8.7579 -8.7352 2.4178 2.5054 6.7945 6.8081 8.1490 8.1651 8.7635 8.9137 9.2324 9.4512 9.7321 10.0662 10.3059 10.7803 10.9248 11.0456 12.0584 12.2265 13.1624 13.2034 17.2708 17.3999 17.5382 17.5763 18.1291 18.1323 k = 0.3333 0.5774 0.5042 ( 1683 PWs) bands (ev): -29.1348 -29.1348 -10.2116 -10.2004 -8.8294 -8.8272 -8.7577 -8.7348 2.4185 2.5065 6.7915 6.8054 8.1478 8.1641 8.7633 8.9159 9.2327 9.4516 9.7401 10.0806 10.2951 10.7957 10.9218 11.0663 12.0591 12.2194 13.1414 13.1814 17.2644 17.3948 17.5522 17.5917 18.1718 18.1758 k = 0.3333 0.5774 0.5171 ( 1686 PWs) bands (ev): -29.1348 -29.1348 -10.2118 -10.2005 -8.8298 -8.8277 -8.7576 -8.7347 2.4190 2.5072 6.7897 6.8038 8.1471 8.1635 8.7631 8.9172 9.2328 9.4519 9.7449 10.0900 10.2880 10.8050 10.9200 11.0791 12.0598 12.2152 13.1285 13.1678 17.2605 17.3917 17.5607 17.6010 18.2006 18.2047 k = 0.3333 0.5774 0.5300 ( 1692 PWs) bands (ev): -29.1348 -29.1348 -10.2118 -10.2005 -8.8300 -8.8278 -8.7575 -8.7346 2.4191 2.5074 6.7891 6.8032 8.1468 8.1633 8.7631 8.9176 9.2329 9.4520 9.7465 10.0932 10.2854 10.8081 10.9194 11.0834 12.0601 12.2138 13.1242 13.1632 17.2592 17.3907 17.5635 17.6042 18.2112 18.2152 Writing output data file YPPt.save init_run : 4.27s CPU 15.80s WALL ( 1 calls) electrons : 306.49s CPU 311.73s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.30s CPU 1.56s WALL ( 1 calls) Called by electrons: c_bands : 306.42s CPU 311.47s WALL ( 1 calls) v_of_rho : 0.07s CPU 0.84s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.06s CPU 0.52s WALL ( 1 calls) newd : 0.46s CPU 0.56s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.15s WALL ( 378 calls) cegterg : 268.01s CPU 270.37s WALL ( 791 calls) Called by sum_band: Called by *egterg: h_psi : 116.97s CPU 123.85s WALL ( 12796 calls) s_psi : 16.58s CPU 17.25s WALL ( 12796 calls) g_psi : 0.16s CPU 0.26s WALL ( 11627 calls) cdiaghg : 100.28s CPU 98.45s WALL ( 12005 calls) cegterg:over : 24.48s CPU 20.81s WALL ( 11627 calls) cegterg:upda : 1.30s CPU 3.38s WALL ( 11627 calls) cegterg:last : 1.86s CPU 2.68s WALL ( 2452 calls) Called by h_psi: h_psi:vloc : 87.93s CPU 93.74s WALL ( 12796 calls) h_psi:vnl : 28.98s CPU 29.72s WALL ( 12796 calls) add_vuspsi : 7.80s CPU 11.88s WALL ( 12796 calls) General routines calbec : 21.15s CPU 17.75s WALL ( 12796 calls) fft : 0.32s CPU 1.29s WALL ( 19 calls) ffts : 0.01s CPU 0.14s WALL ( 4 calls) fftw : 81.76s CPU 85.21s WALL ( 1041208 calls) interpolate : 0.12s CPU 0.25s WALL ( 4 calls) davcio : 0.02s CPU 0.93s WALL ( 756 calls) Parallel routines fft_scatter : 65.98s CPU 67.66s WALL ( 1041231 calls) PWSCF : 5m44.87s CPU 6m48.06s WALL This run was terminated on: 22:33:45 7Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=