Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 18:34:22 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Al2Ru.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 35 35 10 558 558 89 Max 36 36 11 561 561 91 Sum 1273 1273 379 20143 20143 3251 bravais-lattice index = 14 lattice parameter (alat) = 7.3218 a.u. unit-cell volume = 208.2131 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 2 number of electrons = 22.00 number of Kohn-Sham states= 30 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 320.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.321841 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.677858 celldm(5)= -0.677858 celldm(6)= 0.355715 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.355715 0.934594 0.000000 ) a(3) = ( -0.677858 -0.467297 0.567576 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.380609 0.880939 ) b(2) = ( 0.000000 1.069983 0.880939 ) b(3) = ( 0.000000 0.000000 1.761879 ) PseudoPot. # 1 for Ru read from file: /users/gautes/Pseudo/Ru.rel-pbe-oncvpsp.UPF MD5 check sum: 58833c0d2965a9b0fe5de673113ce18e Pseudo is Norm-conserving, Zval = 16.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 1584 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 PseudoPot. # 2 for Al read from file: /users/gautes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ru 16.00 101.07000 Ru( 1.00) Al 3.00 26.98150 Al( 1.00) 4 Sym. Ops., with 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 [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 1 1 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 480 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020833 k( 2) = ( 0.0000000 0.0000000 0.0122353), wk = 0.0020833 k( 3) = ( 0.0000000 0.0000000 0.0244705), wk = 0.0020833 k( 4) = ( 0.0000000 0.0000000 0.0367058), wk = 0.0020833 k( 5) = ( 0.0000000 0.0000000 0.0489411), wk = 0.0020833 k( 6) = ( 0.0000000 0.0000000 0.0611763), wk = 0.0020833 k( 7) = ( 0.0000000 0.0000000 0.0734116), wk = 0.0020833 k( 8) = ( 0.0000000 0.0000000 0.0856469), wk = 0.0020833 k( 9) = ( 0.0000000 0.0000000 0.0978822), wk = 0.0020833 k( 10) = ( 0.0000000 0.0000000 0.1101174), wk = 0.0020833 k( 11) = ( 0.0000000 0.0000000 0.1223527), wk = 0.0020833 k( 12) = ( 0.0000000 0.0000000 0.1345880), wk = 0.0020833 k( 13) = ( 0.0000000 0.0000000 0.1468232), wk = 0.0020833 k( 14) = ( 0.0000000 0.0000000 0.1590585), wk = 0.0020833 k( 15) = ( 0.0000000 0.0000000 0.1712938), wk = 0.0020833 k( 16) = ( 0.0000000 0.0000000 0.1835291), wk = 0.0020833 k( 17) = ( 0.0000000 0.0000000 0.1957643), wk = 0.0020833 k( 18) = ( 0.0000000 0.0000000 0.2079996), wk = 0.0020833 k( 19) = ( 0.0000000 0.0000000 0.2202349), wk = 0.0020833 k( 20) = ( 0.0000000 0.0000000 0.2324701), wk = 0.0020833 k( 21) = ( 0.0000000 0.0000000 0.2447054), wk = 0.0020833 k( 22) = ( 0.0000000 0.0000000 0.2569407), wk = 0.0020833 k( 23) = ( 0.0000000 0.0000000 0.2691759), wk = 0.0020833 k( 24) = ( 0.0000000 0.0000000 0.2814112), wk = 0.0020833 k( 25) = ( 0.0000000 0.0000000 0.2936465), wk = 0.0020833 k( 26) = ( 0.0000000 0.0000000 0.3058818), wk = 0.0020833 k( 27) = ( 0.0000000 0.0000000 0.3181170), wk = 0.0020833 k( 28) = ( 0.0000000 0.0000000 0.3303523), wk = 0.0020833 k( 29) = ( 0.0000000 0.0000000 0.3425876), wk = 0.0020833 k( 30) = ( 0.0000000 0.0000000 0.3548228), wk = 0.0020833 k( 31) = ( 0.0000000 0.0000000 0.3670581), wk = 0.0020833 k( 32) = ( 0.0000000 0.0000000 0.3792934), wk = 0.0020833 k( 33) = ( 0.0000000 0.0000000 0.3915286), wk = 0.0020833 k( 34) = ( 0.0000000 0.0000000 0.4037639), wk = 0.0020833 k( 35) = ( 0.0000000 0.0000000 0.4159992), wk = 0.0020833 k( 36) = ( 0.0000000 0.0000000 0.4282345), wk = 0.0020833 k( 37) = ( 0.0000000 0.0000000 0.4404697), wk = 0.0020833 k( 38) = ( 0.0000000 0.0000000 0.4527050), wk = 0.0020833 k( 39) = ( 0.0000000 0.0000000 0.4649403), wk = 0.0020833 k( 40) = ( 0.0000000 0.0000000 0.4771755), wk = 0.0020833 k( 41) = ( 0.0000000 0.0000000 0.4894108), wk = 0.0020833 k( 42) = ( 0.0000000 0.0000000 0.5016461), wk = 0.0020833 k( 43) = ( 0.0000000 0.0000000 0.5138814), wk = 0.0020833 k( 44) = ( 0.0000000 0.0000000 0.5261166), wk = 0.0020833 k( 45) = ( 0.0000000 0.0000000 0.5383519), wk = 0.0020833 k( 46) = ( 0.0000000 0.0000000 0.5505872), wk = 0.0020833 k( 47) = ( 0.0000000 0.0000000 0.5628224), wk = 0.0020833 k( 48) = ( 0.0000000 0.0000000 0.5750577), wk = 0.0020833 k( 49) = ( 0.0000000 0.0000000 0.5872930), wk = 0.0020833 k( 50) = ( 0.0000000 0.0000000 0.5995282), wk = 0.0020833 k( 51) = ( 0.0000000 0.0000000 0.6117635), wk = 0.0020833 k( 52) = ( 0.0000000 0.0000000 0.6239988), wk = 0.0020833 k( 53) = ( 0.0000000 0.0000000 0.6362340), wk = 0.0020833 k( 54) = ( 0.0000000 0.0000000 0.6484693), wk = 0.0020833 k( 55) = ( 0.0000000 0.0000000 0.6607046), wk = 0.0020833 k( 56) = ( 0.0000000 0.0000000 0.6729399), wk = 0.0020833 k( 57) = ( 0.0000000 0.0000000 0.6851751), wk = 0.0020833 k( 58) = ( 0.0000000 0.0000000 0.6974104), wk = 0.0020833 k( 59) = ( 0.0000000 0.0000000 0.7096457), wk = 0.0020833 k( 60) = ( 0.0000000 0.0000000 0.7218809), wk = 0.0020833 k( 61) = ( 0.0000000 0.0000000 0.7341162), wk = 0.0020833 k( 62) = ( 0.0000000 0.0000000 0.7463515), wk = 0.0020833 k( 63) = ( 0.0000000 0.0000000 0.7585868), wk = 0.0020833 k( 64) = ( 0.0000000 0.0000000 0.7708220), wk = 0.0020833 k( 65) = ( 0.0000000 0.0000000 0.7830573), wk = 0.0020833 k( 66) = ( 0.0000000 0.0000000 0.7952926), wk = 0.0020833 k( 67) = ( 0.0000000 0.0000000 0.8075278), wk = 0.0020833 k( 68) = ( 0.0000000 0.0000000 0.8197631), wk = 0.0020833 k( 69) = ( 0.0000000 0.0000000 0.8319984), wk = 0.0020833 k( 70) = ( 0.0000000 0.0000000 0.8442336), wk = 0.0020833 k( 71) = ( 0.0000000 0.0000000 0.8564689), wk = 0.0020833 k( 72) = ( 0.0000000 0.0000000 0.8687042), wk = 0.0020833 k( 73) = ( 0.0000000 0.0000000 0.8809395), wk = 0.0020833 k( 74) = ( 0.0000000 0.0000000 0.8809395), wk = 0.0020833 k( 75) = ( -0.0069888 0.0101379 0.8809395), wk = 0.0020833 k( 76) = ( -0.0139775 0.0202757 0.8809395), wk = 0.0020833 k( 77) = ( -0.0209663 0.0304135 0.8809395), wk = 0.0020833 k( 78) = ( -0.0279551 0.0405514 0.8809395), wk = 0.0020833 k( 79) = ( -0.0349438 0.0506892 0.8809395), wk = 0.0020833 k( 80) = ( -0.0419326 0.0608271 0.8809395), wk = 0.0020833 k( 81) = ( -0.0489214 0.0709649 0.8809395), wk = 0.0020833 k( 82) = ( -0.0559101 0.0811028 0.8809395), wk = 0.0020833 k( 83) = ( -0.0628989 0.0912406 0.8809395), wk = 0.0020833 k( 84) = ( -0.0698877 0.1013785 0.8809395), wk = 0.0020833 k( 85) = ( -0.0768764 0.1115163 0.8809395), wk = 0.0020833 k( 86) = ( -0.0838652 0.1216542 0.8809395), wk = 0.0020833 k( 87) = ( -0.0908540 0.1317920 0.8809395), wk = 0.0020833 k( 88) = ( -0.0978427 0.1419299 0.8809395), wk = 0.0020833 k( 89) = ( -0.1048315 0.1520677 0.8809395), wk = 0.0020833 k( 90) = ( -0.1118203 0.1622056 0.8809395), wk = 0.0020833 k( 91) = ( -0.1188090 0.1723434 0.8809395), wk = 0.0020833 k( 92) = ( -0.1188090 0.1723434 0.8809395), wk = 0.0020833 k( 93) = ( -0.1236961 0.1794326 0.8723290), wk = 0.0020833 k( 94) = ( -0.1285832 0.1865217 0.8637186), wk = 0.0020833 k( 95) = ( -0.1334702 0.1936108 0.8551082), wk = 0.0020833 k( 96) = ( -0.1383573 0.2007000 0.8464978), wk = 0.0020833 k( 97) = ( -0.1432443 0.2077891 0.8378874), wk = 0.0020833 k( 98) = ( -0.1481314 0.2148782 0.8292770), wk = 0.0020833 k( 99) = ( -0.1530185 0.2219674 0.8206665), wk = 0.0020833 k( 100) = ( -0.1579055 0.2290565 0.8120561), wk = 0.0020833 k( 101) = ( -0.1627926 0.2361457 0.8034457), wk = 0.0020833 k( 102) = ( -0.1676797 0.2432348 0.7948353), wk = 0.0020833 k( 103) = ( -0.1725667 0.2503239 0.7862249), wk = 0.0020833 k( 104) = ( -0.1774538 0.2574131 0.7776145), wk = 0.0020833 k( 105) = ( -0.1823408 0.2645022 0.7690041), wk = 0.0020833 k( 106) = ( -0.1872279 0.2715913 0.7603937), wk = 0.0020833 k( 107) = ( -0.1921150 0.2786805 0.7517832), wk = 0.0020833 k( 108) = ( -0.1970020 0.2857696 0.7431728), wk = 0.0020833 k( 109) = ( -0.2018891 0.2928587 0.7345624), wk = 0.0020833 k( 110) = ( -0.2067762 0.2999479 0.7259520), wk = 0.0020833 k( 111) = ( -0.2116632 0.3070370 0.7173416), wk = 0.0020833 k( 112) = ( -0.2165503 0.3141261 0.7087312), wk = 0.0020833 k( 113) = ( -0.2214374 0.3212153 0.7001207), wk = 0.0020833 k( 114) = ( -0.2263244 0.3283044 0.6915103), wk = 0.0020833 k( 115) = ( -0.2312115 0.3353935 0.6828999), wk = 0.0020833 k( 116) = ( -0.2360985 0.3424827 0.6742895), wk = 0.0020833 k( 117) = ( -0.2409856 0.3495718 0.6656791), wk = 0.0020833 k( 118) = ( -0.2458727 0.3566610 0.6570687), wk = 0.0020833 k( 119) = ( -0.2507598 0.3637501 0.6484583), wk = 0.0020833 k( 120) = ( -0.2556468 0.3708392 0.6398478), wk = 0.0020833 k( 121) = ( -0.2605339 0.3779284 0.6312374), wk = 0.0020833 k( 122) = ( -0.2654209 0.3850175 0.6226270), wk = 0.0020833 k( 123) = ( -0.2703080 0.3921066 0.6140166), wk = 0.0020833 k( 124) = ( -0.2751951 0.3991958 0.6054062), wk = 0.0020833 k( 125) = ( -0.2800821 0.4062849 0.5967958), wk = 0.0020833 k( 126) = ( -0.2849692 0.4133740 0.5881854), wk = 0.0020833 k( 127) = ( -0.2898563 0.4204632 0.5795749), wk = 0.0020833 k( 128) = ( -0.2947433 0.4275523 0.5709645), wk = 0.0020833 k( 129) = ( -0.2996304 0.4346414 0.5623541), wk = 0.0020833 k( 130) = ( -0.3045175 0.4417306 0.5537437), wk = 0.0020833 k( 131) = ( -0.3094045 0.4488197 0.5451333), wk = 0.0020833 k( 132) = ( -0.3094045 0.4488197 0.5451333), wk = 0.0020833 k( 133) = ( -0.3044933 0.4416956 0.5364804), wk = 0.0020833 k( 134) = ( -0.2995821 0.4345715 0.5278275), wk = 0.0020833 k( 135) = ( -0.2946710 0.4274474 0.5191745), wk = 0.0020833 k( 136) = ( -0.2897598 0.4203232 0.5105216), wk = 0.0020833 k( 137) = ( -0.2848486 0.4131991 0.5018687), wk = 0.0020833 k( 138) = ( -0.2799374 0.4060750 0.4932158), wk = 0.0020833 k( 139) = ( -0.2750262 0.3989509 0.4845629), wk = 0.0020833 k( 140) = ( -0.2701151 0.3918267 0.4759100), wk = 0.0020833 k( 141) = ( -0.2652039 0.3847026 0.4672571), wk = 0.0020833 k( 142) = ( -0.2602927 0.3775785 0.4586042), wk = 0.0020833 k( 143) = ( -0.2553815 0.3704544 0.4499513), wk = 0.0020833 k( 144) = ( -0.2504703 0.3633303 0.4412984), wk = 0.0020833 k( 145) = ( -0.2455591 0.3562061 0.4326455), wk = 0.0020833 k( 146) = ( -0.2406479 0.3490820 0.4239925), wk = 0.0020833 k( 147) = ( -0.2357368 0.3419579 0.4153396), wk = 0.0020833 k( 148) = ( -0.2308256 0.3348338 0.4066867), wk = 0.0020833 k( 149) = ( -0.2259144 0.3277096 0.3980338), wk = 0.0020833 k( 150) = ( -0.2210032 0.3205855 0.3893809), wk = 0.0020833 k( 151) = ( -0.2160920 0.3134614 0.3807280), wk = 0.0020833 k( 152) = ( -0.2111809 0.3063373 0.3720751), wk = 0.0020833 k( 153) = ( -0.2062697 0.2992131 0.3634222), wk = 0.0020833 k( 154) = ( -0.2013585 0.2920890 0.3547693), wk = 0.0020833 k( 155) = ( -0.1964473 0.2849649 0.3461164), wk = 0.0020833 k( 156) = ( -0.1915361 0.2778408 0.3374635), wk = 0.0020833 k( 157) = ( -0.1866249 0.2707167 0.3288105), wk = 0.0020833 k( 158) = ( -0.1817138 0.2635925 0.3201576), wk = 0.0020833 k( 159) = ( -0.1768026 0.2564684 0.3115047), wk = 0.0020833 k( 160) = ( -0.1718914 0.2493443 0.3028518), wk = 0.0020833 k( 161) = ( -0.1669802 0.2422202 0.2941989), wk = 0.0020833 k( 162) = ( -0.1620690 0.2350960 0.2855460), wk = 0.0020833 k( 163) = ( -0.1571578 0.2279719 0.2768931), wk = 0.0020833 k( 164) = ( -0.1522467 0.2208478 0.2682402), wk = 0.0020833 k( 165) = ( -0.1473355 0.2137237 0.2595873), wk = 0.0020833 k( 166) = ( -0.1424243 0.2065996 0.2509344), wk = 0.0020833 k( 167) = ( -0.1375131 0.1994754 0.2422815), wk = 0.0020833 k( 168) = ( -0.1326019 0.1923513 0.2336285), wk = 0.0020833 k( 169) = ( -0.1276907 0.1852272 0.2249756), wk = 0.0020833 k( 170) = ( -0.1227796 0.1781031 0.2163227), wk = 0.0020833 k( 171) = ( -0.1178684 0.1709789 0.2076698), wk = 0.0020833 k( 172) = ( -0.1129572 0.1638548 0.1990169), wk = 0.0020833 k( 173) = ( -0.1080460 0.1567307 0.1903640), wk = 0.0020833 k( 174) = ( -0.1031348 0.1496066 0.1817111), wk = 0.0020833 k( 175) = ( -0.0982236 0.1424824 0.1730582), wk = 0.0020833 k( 176) = ( -0.0933125 0.1353583 0.1644053), wk = 0.0020833 k( 177) = ( -0.0884013 0.1282342 0.1557524), wk = 0.0020833 k( 178) = ( -0.0834901 0.1211101 0.1470995), wk = 0.0020833 k( 179) = ( -0.0785789 0.1139860 0.1384465), wk = 0.0020833 k( 180) = ( -0.0736677 0.1068618 0.1297936), wk = 0.0020833 k( 181) = ( -0.0687566 0.0997377 0.1211407), wk = 0.0020833 k( 182) = ( -0.0638454 0.0926136 0.1124878), wk = 0.0020833 k( 183) = ( -0.0589342 0.0854895 0.1038349), wk = 0.0020833 k( 184) = ( -0.0540230 0.0783653 0.0951820), wk = 0.0020833 k( 185) = ( -0.0491118 0.0712412 0.0865291), wk = 0.0020833 k( 186) = ( -0.0442006 0.0641171 0.0778762), wk = 0.0020833 k( 187) = ( -0.0392895 0.0569930 0.0692233), wk = 0.0020833 k( 188) = ( -0.0343783 0.0498689 0.0605704), wk = 0.0020833 k( 189) = ( -0.0294671 0.0427447 0.0519175), wk = 0.0020833 k( 190) = ( -0.0245559 0.0356206 0.0432645), wk = 0.0020833 k( 191) = ( -0.0196447 0.0284965 0.0346116), wk = 0.0020833 k( 192) = ( -0.0147335 0.0213724 0.0259587), wk = 0.0020833 k( 193) = ( -0.0098224 0.0142483 0.0173058), wk = 0.0020833 k( 194) = ( -0.0049112 0.0071241 0.0086529), wk = 0.0020833 k( 195) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020833 k( 196) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020833 k( 197) = ( 0.0100000 0.0068937 -0.0000000), wk = 0.0020833 k( 198) = ( 0.0200000 0.0137875 -0.0000000), wk = 0.0020833 k( 199) = ( 0.0300000 0.0206812 -0.0000000), wk = 0.0020833 k( 200) = ( 0.0400000 0.0275749 -0.0000000), wk = 0.0020833 k( 201) = ( 0.0500000 0.0344687 -0.0000000), wk = 0.0020833 k( 202) = ( 0.0600000 0.0413624 -0.0000000), wk = 0.0020833 k( 203) = ( 0.0700000 0.0482562 -0.0000000), wk = 0.0020833 k( 204) = ( 0.0800000 0.0551499 -0.0000000), wk = 0.0020833 k( 205) = ( 0.0900000 0.0620436 -0.0000000), wk = 0.0020833 k( 206) = ( 0.1000000 0.0689374 -0.0000000), wk = 0.0020833 k( 207) = ( 0.1100000 0.0758311 -0.0000000), wk = 0.0020833 k( 208) = ( 0.1200000 0.0827248 -0.0000000), wk = 0.0020833 k( 209) = ( 0.1300000 0.0896186 -0.0000000), wk = 0.0020833 k( 210) = ( 0.1400000 0.0965123 -0.0000000), wk = 0.0020833 k( 211) = ( 0.1500000 0.1034061 -0.0000000), wk = 0.0020833 k( 212) = ( 0.1600000 0.1102998 -0.0000000), wk = 0.0020833 k( 213) = ( 0.1700000 0.1171935 -0.0000000), wk = 0.0020833 k( 214) = ( 0.1800000 0.1240873 -0.0000000), wk = 0.0020833 k( 215) = ( 0.1900000 0.1309810 -0.0000000), wk = 0.0020833 k( 216) = ( 0.2000000 0.1378747 -0.0000000), wk = 0.0020833 k( 217) = ( 0.2100000 0.1447685 -0.0000000), wk = 0.0020833 k( 218) = ( 0.2200000 0.1516622 -0.0000000), wk = 0.0020833 k( 219) = ( 0.2300000 0.1585560 -0.0000000), wk = 0.0020833 k( 220) = ( 0.2400000 0.1654497 -0.0000000), wk = 0.0020833 k( 221) = ( 0.2500000 0.1723434 -0.0000000), wk = 0.0020833 k( 222) = ( 0.2600000 0.1792372 -0.0000000), wk = 0.0020833 k( 223) = ( 0.2700000 0.1861309 -0.0000000), wk = 0.0020833 k( 224) = ( 0.2800000 0.1930246 -0.0000000), wk = 0.0020833 k( 225) = ( 0.2900000 0.1999184 -0.0000000), wk = 0.0020833 k( 226) = ( 0.3000000 0.2068121 -0.0000000), wk = 0.0020833 k( 227) = ( 0.3100000 0.2137058 -0.0000000), wk = 0.0020833 k( 228) = ( 0.3200000 0.2205996 -0.0000000), wk = 0.0020833 k( 229) = ( 0.3300000 0.2274933 -0.0000000), wk = 0.0020833 k( 230) = ( 0.3400000 0.2343871 -0.0000000), wk = 0.0020833 k( 231) = ( 0.3500000 0.2412808 -0.0000000), wk = 0.0020833 k( 232) = ( 0.3600000 0.2481745 -0.0000000), wk = 0.0020833 k( 233) = ( 0.3700000 0.2550683 -0.0000000), wk = 0.0020833 k( 234) = ( 0.3800000 0.2619620 -0.0000000), wk = 0.0020833 k( 235) = ( 0.3900000 0.2688557 -0.0000000), wk = 0.0020833 k( 236) = ( 0.4000000 0.2757495 -0.0000000), wk = 0.0020833 k( 237) = ( 0.4100000 0.2826432 -0.0000000), wk = 0.0020833 k( 238) = ( 0.4200000 0.2895370 -0.0000000), wk = 0.0020833 k( 239) = ( 0.4300000 0.2964307 -0.0000000), wk = 0.0020833 k( 240) = ( 0.4400000 0.3033244 -0.0000000), wk = 0.0020833 k( 241) = ( 0.4500000 0.3102182 -0.0000000), wk = 0.0020833 k( 242) = ( 0.4600000 0.3171119 -0.0000000), wk = 0.0020833 k( 243) = ( 0.4700000 0.3240056 -0.0000000), wk = 0.0020833 k( 244) = ( 0.4800000 0.3308994 -0.0000000), wk = 0.0020833 k( 245) = ( 0.4900000 0.3377931 -0.0000000), wk = 0.0020833 k( 246) = ( 0.5000000 0.3446868 -0.0000000), wk = 0.0020833 k( 247) = ( 0.5000000 0.3446868 -0.0000000), wk = 0.0020833 k( 248) = ( 0.4951129 0.3517760 0.0086104), wk = 0.0020833 k( 249) = ( 0.4902259 0.3588651 0.0172208), wk = 0.0020833 k( 250) = ( 0.4853388 0.3659543 0.0258312), wk = 0.0020833 k( 251) = ( 0.4804517 0.3730434 0.0344417), wk = 0.0020833 k( 252) = ( 0.4755647 0.3801325 0.0430521), wk = 0.0020833 k( 253) = ( 0.4706776 0.3872217 0.0516625), wk = 0.0020833 k( 254) = ( 0.4657906 0.3943108 0.0602729), wk = 0.0020833 k( 255) = ( 0.4609035 0.4013999 0.0688833), wk = 0.0020833 k( 256) = ( 0.4560164 0.4084891 0.0774937), wk = 0.0020833 k( 257) = ( 0.4511294 0.4155782 0.0861041), wk = 0.0020833 k( 258) = ( 0.4462423 0.4226673 0.0947146), wk = 0.0020833 k( 259) = ( 0.4413552 0.4297565 0.1033250), wk = 0.0020833 k( 260) = ( 0.4364682 0.4368456 0.1119354), wk = 0.0020833 k( 261) = ( 0.4315811 0.4439347 0.1205458), wk = 0.0020833 k( 262) = ( 0.4266940 0.4510239 0.1291562), wk = 0.0020833 k( 263) = ( 0.4218070 0.4581130 0.1377666), wk = 0.0020833 k( 264) = ( 0.4169199 0.4652022 0.1463770), wk = 0.0020833 k( 265) = ( 0.4120329 0.4722913 0.1549875), wk = 0.0020833 k( 266) = ( 0.4071458 0.4793804 0.1635979), wk = 0.0020833 k( 267) = ( 0.4022587 0.4864696 0.1722083), wk = 0.0020833 k( 268) = ( 0.3973717 0.4935587 0.1808187), wk = 0.0020833 k( 269) = ( 0.3924846 0.5006478 0.1894291), wk = 0.0020833 k( 270) = ( 0.3875975 0.5077370 0.1980395), wk = 0.0020833 k( 271) = ( 0.3827105 0.5148261 0.2066499), wk = 0.0020833 k( 272) = ( 0.3778234 0.5219153 0.2152604), wk = 0.0020833 k( 273) = ( 0.3729363 0.5290044 0.2238708), wk = 0.0020833 k( 274) = ( 0.3680493 0.5360935 0.2324812), wk = 0.0020833 k( 275) = ( 0.3631622 0.5431827 0.2410916), wk = 0.0020833 k( 276) = ( 0.3582751 0.5502718 0.2497020), wk = 0.0020833 k( 277) = ( 0.3533881 0.5573609 0.2583124), wk = 0.0020833 k( 278) = ( 0.3485010 0.5644501 0.2669229), wk = 0.0020833 k( 279) = ( 0.3436140 0.5715392 0.2755333), wk = 0.0020833 k( 280) = ( 0.3387269 0.5786283 0.2841437), wk = 0.0020833 k( 281) = ( 0.3338398 0.5857175 0.2927541), wk = 0.0020833 k( 282) = ( 0.3289528 0.5928066 0.3013645), wk = 0.0020833 k( 283) = ( 0.3240657 0.5998957 0.3099749), wk = 0.0020833 k( 284) = ( 0.3191786 0.6069849 0.3185853), wk = 0.0020833 k( 285) = ( 0.3142916 0.6140740 0.3271957), wk = 0.0020833 k( 286) = ( 0.3094045 0.6211631 0.3358062), wk = 0.0020833 k( 287) = ( 0.3094045 0.6211631 0.3358062), wk = 0.0020833 k( 288) = ( 0.2983543 0.6180856 0.3395442), wk = 0.0020833 k( 289) = ( 0.2873042 0.6150080 0.3432821), wk = 0.0020833 k( 290) = ( 0.2762540 0.6119305 0.3470201), wk = 0.0020833 k( 291) = ( 0.2652039 0.6088529 0.3507581), wk = 0.0020833 k( 292) = ( 0.2541537 0.6057753 0.3544961), wk = 0.0020833 k( 293) = ( 0.2431035 0.6026978 0.3582341), wk = 0.0020833 k( 294) = ( 0.2320534 0.5996202 0.3619721), wk = 0.0020833 k( 295) = ( 0.2210032 0.5965427 0.3657100), wk = 0.0020833 k( 296) = ( 0.2099531 0.5934651 0.3694480), wk = 0.0020833 k( 297) = ( 0.1989029 0.5903875 0.3731860), wk = 0.0020833 k( 298) = ( 0.1878527 0.5873100 0.3769240), wk = 0.0020833 k( 299) = ( 0.1768026 0.5842324 0.3806620), wk = 0.0020833 k( 300) = ( 0.1657524 0.5811549 0.3844000), wk = 0.0020833 k( 301) = ( 0.1547023 0.5780773 0.3881379), wk = 0.0020833 k( 302) = ( 0.1436521 0.5749997 0.3918759), wk = 0.0020833 k( 303) = ( 0.1326019 0.5719222 0.3956139), wk = 0.0020833 k( 304) = ( 0.1215518 0.5688446 0.3993519), wk = 0.0020833 k( 305) = ( 0.1105016 0.5657671 0.4030899), wk = 0.0020833 k( 306) = ( 0.0994514 0.5626895 0.4068279), wk = 0.0020833 k( 307) = ( 0.0884013 0.5596119 0.4105658), wk = 0.0020833 k( 308) = ( 0.0773511 0.5565344 0.4143038), wk = 0.0020833 k( 309) = ( 0.0663010 0.5534568 0.4180418), wk = 0.0020833 k( 310) = ( 0.0552508 0.5503792 0.4217798), wk = 0.0020833 k( 311) = ( 0.0442006 0.5473017 0.4255178), wk = 0.0020833 k( 312) = ( 0.0331505 0.5442241 0.4292558), wk = 0.0020833 k( 313) = ( 0.0221003 0.5411466 0.4329938), wk = 0.0020833 k( 314) = ( 0.0110502 0.5380690 0.4367317), wk = 0.0020833 k( 315) = ( 0.0000000 0.5349914 0.4404697), wk = 0.0020833 k( 316) = ( 0.0000000 0.5349914 0.4404697), wk = 0.0020833 k( 317) = ( 0.0049020 0.5278807 0.4491064), wk = 0.0020833 k( 318) = ( 0.0098039 0.5207699 0.4577430), wk = 0.0020833 k( 319) = ( 0.0147059 0.5136592 0.4663797), wk = 0.0020833 k( 320) = ( 0.0196078 0.5065485 0.4750164), wk = 0.0020833 k( 321) = ( 0.0245098 0.4994377 0.4836530), wk = 0.0020833 k( 322) = ( 0.0294118 0.4923270 0.4922897), wk = 0.0020833 k( 323) = ( 0.0343137 0.4852162 0.5009264), wk = 0.0020833 k( 324) = ( 0.0392157 0.4781055 0.5095630), wk = 0.0020833 k( 325) = ( 0.0441177 0.4709947 0.5181997), wk = 0.0020833 k( 326) = ( 0.0490196 0.4638840 0.5268363), wk = 0.0020833 k( 327) = ( 0.0539216 0.4567732 0.5354730), wk = 0.0020833 k( 328) = ( 0.0588235 0.4496625 0.5441097), wk = 0.0020833 k( 329) = ( 0.0637255 0.4425517 0.5527463), wk = 0.0020833 k( 330) = ( 0.0686275 0.4354410 0.5613830), wk = 0.0020833 k( 331) = ( 0.0735294 0.4283303 0.5700196), wk = 0.0020833 k( 332) = ( 0.0784314 0.4212195 0.5786563), wk = 0.0020833 k( 333) = ( 0.0833333 0.4141088 0.5872930), wk = 0.0020833 k( 334) = ( 0.0882353 0.4069980 0.5959296), wk = 0.0020833 k( 335) = ( 0.0931373 0.3998873 0.6045663), wk = 0.0020833 k( 336) = ( 0.0980392 0.3927765 0.6132030), wk = 0.0020833 k( 337) = ( 0.1029412 0.3856658 0.6218396), wk = 0.0020833 k( 338) = ( 0.1078431 0.3785550 0.6304763), wk = 0.0020833 k( 339) = ( 0.1127451 0.3714443 0.6391129), wk = 0.0020833 k( 340) = ( 0.1176471 0.3643335 0.6477496), wk = 0.0020833 k( 341) = ( 0.1225490 0.3572228 0.6563863), wk = 0.0020833 k( 342) = ( 0.1274510 0.3501121 0.6650229), wk = 0.0020833 k( 343) = ( 0.1323529 0.3430013 0.6736596), wk = 0.0020833 k( 344) = ( 0.1372549 0.3358906 0.6822962), wk = 0.0020833 k( 345) = ( 0.1421569 0.3287798 0.6909329), wk = 0.0020833 k( 346) = ( 0.1470588 0.3216691 0.6995696), wk = 0.0020833 k( 347) = ( 0.1519608 0.3145583 0.7082062), wk = 0.0020833 k( 348) = ( 0.1568627 0.3074476 0.7168429), wk = 0.0020833 k( 349) = ( 0.1617647 0.3003368 0.7254796), wk = 0.0020833 k( 350) = ( 0.1666667 0.2932261 0.7341162), wk = 0.0020833 k( 351) = ( 0.1715686 0.2861153 0.7427529), wk = 0.0020833 k( 352) = ( 0.1764706 0.2790046 0.7513895), wk = 0.0020833 k( 353) = ( 0.1813725 0.2718939 0.7600262), wk = 0.0020833 k( 354) = ( 0.1862745 0.2647831 0.7686629), wk = 0.0020833 k( 355) = ( 0.1911765 0.2576724 0.7772995), wk = 0.0020833 k( 356) = ( 0.1960784 0.2505616 0.7859362), wk = 0.0020833 k( 357) = ( 0.2009804 0.2434509 0.7945728), wk = 0.0020833 k( 358) = ( 0.2058823 0.2363401 0.8032095), wk = 0.0020833 k( 359) = ( 0.2107843 0.2292294 0.8118462), wk = 0.0020833 k( 360) = ( 0.2156863 0.2221186 0.8204828), wk = 0.0020833 k( 361) = ( 0.2205882 0.2150079 0.8291195), wk = 0.0020833 k( 362) = ( 0.2254902 0.2078971 0.8377562), wk = 0.0020833 k( 363) = ( 0.2303922 0.2007864 0.8463928), wk = 0.0020833 k( 364) = ( 0.2352941 0.1936757 0.8550295), wk = 0.0020833 k( 365) = ( 0.2401961 0.1865649 0.8636661), wk = 0.0020833 k( 366) = ( 0.2450980 0.1794542 0.8723028), wk = 0.0020833 k( 367) = ( 0.2500000 0.1723434 0.8809395), wk = 0.0020833 k( 368) = ( 0.2500000 0.1723434 0.8809395), wk = 0.0020833 k( 369) = ( 0.2583333 0.1780882 0.8739619), wk = 0.0020833 k( 370) = ( 0.2666667 0.1838330 0.8669843), wk = 0.0020833 k( 371) = ( 0.2750000 0.1895778 0.8600067), wk = 0.0020833 k( 372) = ( 0.2833333 0.1953225 0.8530292), wk = 0.0020833 k( 373) = ( 0.2916667 0.2010673 0.8460516), wk = 0.0020833 k( 374) = ( 0.3000000 0.2068121 0.8390740), wk = 0.0020833 k( 375) = ( 0.3083333 0.2125569 0.8320965), wk = 0.0020833 k( 376) = ( 0.3166667 0.2183017 0.8251189), wk = 0.0020833 k( 377) = ( 0.3250000 0.2240465 0.8181413), wk = 0.0020833 k( 378) = ( 0.3333333 0.2297912 0.8111637), wk = 0.0020833 k( 379) = ( 0.3416667 0.2355360 0.8041862), wk = 0.0020833 k( 380) = ( 0.3500000 0.2412808 0.7972086), wk = 0.0020833 k( 381) = ( 0.3583333 0.2470256 0.7902310), wk = 0.0020833 k( 382) = ( 0.3666667 0.2527704 0.7832535), wk = 0.0020833 k( 383) = ( 0.3750000 0.2585151 0.7762759), wk = 0.0020833 k( 384) = ( 0.3833333 0.2642599 0.7692983), wk = 0.0020833 k( 385) = ( 0.3916667 0.2700047 0.7623208), wk = 0.0020833 k( 386) = ( 0.4000000 0.2757495 0.7553432), wk = 0.0020833 k( 387) = ( 0.4083333 0.2814943 0.7483656), wk = 0.0020833 k( 388) = ( 0.4166667 0.2872390 0.7413881), wk = 0.0020833 k( 389) = ( 0.4250000 0.2929838 0.7344105), wk = 0.0020833 k( 390) = ( 0.4333333 0.2987286 0.7274329), wk = 0.0020833 k( 391) = ( 0.4416667 0.3044734 0.7204553), wk = 0.0020833 k( 392) = ( 0.4500000 0.3102182 0.7134778), wk = 0.0020833 k( 393) = ( 0.4583333 0.3159629 0.7065002), wk = 0.0020833 k( 394) = ( 0.4666667 0.3217077 0.6995226), wk = 0.0020833 k( 395) = ( 0.4750000 0.3274525 0.6925451), wk = 0.0020833 k( 396) = ( 0.4833333 0.3331973 0.6855675), wk = 0.0020833 k( 397) = ( 0.4916667 0.3389421 0.6785899), wk = 0.0020833 k( 398) = ( 0.5000000 0.3446868 0.6716123), wk = 0.0020833 k( 399) = ( 0.5000000 0.3446868 0.6716123), wk = 0.0020833 k( 400) = ( 0.5000000 0.3446868 0.6594012), wk = 0.0020833 k( 401) = ( 0.5000000 0.3446868 0.6471901), wk = 0.0020833 k( 402) = ( 0.5000000 0.3446868 0.6349789), wk = 0.0020833 k( 403) = ( 0.5000000 0.3446868 0.6227678), wk = 0.0020833 k( 404) = ( 0.5000000 0.3446868 0.6105567), wk = 0.0020833 k( 405) = ( 0.5000000 0.3446868 0.5983455), wk = 0.0020833 k( 406) = ( 0.5000000 0.3446868 0.5861344), wk = 0.0020833 k( 407) = ( 0.5000000 0.3446868 0.5739233), wk = 0.0020833 k( 408) = ( 0.5000000 0.3446868 0.5617121), wk = 0.0020833 k( 409) = ( 0.5000000 0.3446868 0.5495010), wk = 0.0020833 k( 410) = ( 0.5000000 0.3446868 0.5372899), wk = 0.0020833 k( 411) = ( 0.5000000 0.3446868 0.5250787), wk = 0.0020833 k( 412) = ( 0.5000000 0.3446868 0.5128676), wk = 0.0020833 k( 413) = ( 0.5000000 0.3446868 0.5006565), wk = 0.0020833 k( 414) = ( 0.5000000 0.3446868 0.4884453), wk = 0.0020833 k( 415) = ( 0.5000000 0.3446868 0.4762342), wk = 0.0020833 k( 416) = ( 0.5000000 0.3446868 0.4640231), wk = 0.0020833 k( 417) = ( 0.5000000 0.3446868 0.4518119), wk = 0.0020833 k( 418) = ( 0.5000000 0.3446868 0.4396008), wk = 0.0020833 k( 419) = ( 0.5000000 0.3446868 0.4273897), wk = 0.0020833 k( 420) = ( 0.5000000 0.3446868 0.4151785), wk = 0.0020833 k( 421) = ( 0.5000000 0.3446868 0.4029674), wk = 0.0020833 k( 422) = ( 0.5000000 0.3446868 0.3907563), wk = 0.0020833 k( 423) = ( 0.5000000 0.3446868 0.3785451), wk = 0.0020833 k( 424) = ( 0.5000000 0.3446868 0.3663340), wk = 0.0020833 k( 425) = ( 0.5000000 0.3446868 0.3541229), wk = 0.0020833 k( 426) = ( 0.5000000 0.3446868 0.3419117), wk = 0.0020833 k( 427) = ( 0.5000000 0.3446868 0.3297006), wk = 0.0020833 k( 428) = ( 0.5000000 0.3446868 0.3174895), wk = 0.0020833 k( 429) = ( 0.5000000 0.3446868 0.3052783), wk = 0.0020833 k( 430) = ( 0.5000000 0.3446868 0.2930672), wk = 0.0020833 k( 431) = ( 0.5000000 0.3446868 0.2808561), wk = 0.0020833 k( 432) = ( 0.5000000 0.3446868 0.2686449), wk = 0.0020833 k( 433) = ( 0.5000000 0.3446868 0.2564338), wk = 0.0020833 k( 434) = ( 0.5000000 0.3446868 0.2442227), wk = 0.0020833 k( 435) = ( 0.5000000 0.3446868 0.2320115), wk = 0.0020833 k( 436) = ( 0.5000000 0.3446868 0.2198004), wk = 0.0020833 k( 437) = ( 0.5000000 0.3446868 0.2075893), wk = 0.0020833 k( 438) = ( 0.5000000 0.3446868 0.1953781), wk = 0.0020833 k( 439) = ( 0.5000000 0.3446868 0.1831670), wk = 0.0020833 k( 440) = ( 0.5000000 0.3446868 0.1709559), wk = 0.0020833 k( 441) = ( 0.5000000 0.3446868 0.1587447), wk = 0.0020833 k( 442) = ( 0.5000000 0.3446868 0.1465336), wk = 0.0020833 k( 443) = ( 0.5000000 0.3446868 0.1343225), wk = 0.0020833 k( 444) = ( 0.5000000 0.3446868 0.1221113), wk = 0.0020833 k( 445) = ( 0.5000000 0.3446868 0.1099002), wk = 0.0020833 k( 446) = ( 0.5000000 0.3446868 0.0976891), wk = 0.0020833 k( 447) = ( 0.5000000 0.3446868 0.0854779), wk = 0.0020833 k( 448) = ( 0.5000000 0.3446868 0.0732668), wk = 0.0020833 k( 449) = ( 0.5000000 0.3446868 0.0610557), wk = 0.0020833 k( 450) = ( 0.5000000 0.3446868 0.0488445), wk = 0.0020833 k( 451) = ( 0.5000000 0.3446868 0.0366334), wk = 0.0020833 k( 452) = ( 0.5000000 0.3446868 0.0244223), wk = 0.0020833 k( 453) = ( 0.5000000 0.3446868 0.0122111), wk = 0.0020833 k( 454) = ( 0.5000000 0.3446868 -0.0000000), wk = 0.0020833 k( 455) = ( 0.0000000 0.0000000 0.8809395), wk = 0.0020833 k( 456) = ( 0.0100000 0.0068937 0.8809395), wk = 0.0020833 k( 457) = ( 0.0200000 0.0137875 0.8809395), wk = 0.0020833 k( 458) = ( 0.0300000 0.0206812 0.8809395), wk = 0.0020833 k( 459) = ( 0.0400000 0.0275749 0.8809395), wk = 0.0020833 k( 460) = ( 0.0500000 0.0344687 0.8809395), wk = 0.0020833 k( 461) = ( 0.0600000 0.0413624 0.8809395), wk = 0.0020833 k( 462) = ( 0.0700000 0.0482562 0.8809395), wk = 0.0020833 k( 463) = ( 0.0800000 0.0551499 0.8809395), wk = 0.0020833 k( 464) = ( 0.0900000 0.0620436 0.8809395), wk = 0.0020833 k( 465) = ( 0.1000000 0.0689374 0.8809395), wk = 0.0020833 k( 466) = ( 0.1100000 0.0758311 0.8809395), wk = 0.0020833 k( 467) = ( 0.1200000 0.0827248 0.8809395), wk = 0.0020833 k( 468) = ( 0.1300000 0.0896186 0.8809395), wk = 0.0020833 k( 469) = ( 0.1400000 0.0965123 0.8809395), wk = 0.0020833 k( 470) = ( 0.1500000 0.1034061 0.8809395), wk = 0.0020833 k( 471) = ( 0.1600000 0.1102998 0.8809395), wk = 0.0020833 k( 472) = ( 0.1700000 0.1171935 0.8809395), wk = 0.0020833 k( 473) = ( 0.1800000 0.1240873 0.8809395), wk = 0.0020833 k( 474) = ( 0.1900000 0.1309810 0.8809395), wk = 0.0020833 k( 475) = ( 0.2000000 0.1378747 0.8809395), wk = 0.0020833 k( 476) = ( 0.2100000 0.1447685 0.8809395), wk = 0.0020833 k( 477) = ( 0.2200000 0.1516622 0.8809395), wk = 0.0020833 k( 478) = ( 0.2300000 0.1585560 0.8809395), wk = 0.0020833 k( 479) = ( 0.2400000 0.1654497 0.8809395), wk = 0.0020833 k( 480) = ( 0.2500000 0.1723434 0.8809395), wk = 0.0020833 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020833 k( 2) = ( 0.0000000 0.0000000 0.0069444), wk = 0.0020833 k( 3) = ( 0.0000000 0.0000000 0.0138889), wk = 0.0020833 k( 4) = ( 0.0000000 0.0000000 0.0208333), wk = 0.0020833 k( 5) = ( 0.0000000 0.0000000 0.0277778), wk = 0.0020833 k( 6) = ( 0.0000000 0.0000000 0.0347222), wk = 0.0020833 k( 7) = ( 0.0000000 0.0000000 0.0416667), wk = 0.0020833 k( 8) = ( 0.0000000 0.0000000 0.0486111), wk = 0.0020833 k( 9) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0020833 k( 10) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0020833 k( 11) = ( 0.0000000 0.0000000 0.0694444), wk = 0.0020833 k( 12) = ( 0.0000000 0.0000000 0.0763889), wk = 0.0020833 k( 13) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0020833 k( 14) = ( 0.0000000 0.0000000 0.0902778), wk = 0.0020833 k( 15) = ( 0.0000000 0.0000000 0.0972222), wk = 0.0020833 k( 16) = ( 0.0000000 0.0000000 0.1041667), wk = 0.0020833 k( 17) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0020833 k( 18) = ( 0.0000000 0.0000000 0.1180556), wk = 0.0020833 k( 19) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0020833 k( 20) = ( 0.0000000 0.0000000 0.1319444), wk = 0.0020833 k( 21) = ( 0.0000000 0.0000000 0.1388889), wk = 0.0020833 k( 22) = ( 0.0000000 0.0000000 0.1458333), wk = 0.0020833 k( 23) = ( 0.0000000 0.0000000 0.1527778), wk = 0.0020833 k( 24) = ( 0.0000000 0.0000000 0.1597222), wk = 0.0020833 k( 25) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0020833 k( 26) = ( 0.0000000 0.0000000 0.1736111), wk = 0.0020833 k( 27) = ( 0.0000000 0.0000000 0.1805556), wk = 0.0020833 k( 28) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0020833 k( 29) = ( 0.0000000 0.0000000 0.1944444), wk = 0.0020833 k( 30) = ( 0.0000000 0.0000000 0.2013889), wk = 0.0020833 k( 31) = ( 0.0000000 0.0000000 0.2083333), wk = 0.0020833 k( 32) = ( 0.0000000 0.0000000 0.2152778), wk = 0.0020833 k( 33) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0020833 k( 34) = ( 0.0000000 0.0000000 0.2291667), wk = 0.0020833 k( 35) = ( 0.0000000 0.0000000 0.2361111), wk = 0.0020833 k( 36) = ( 0.0000000 0.0000000 0.2430556), wk = 0.0020833 k( 37) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0020833 k( 38) = ( 0.0000000 0.0000000 0.2569444), wk = 0.0020833 k( 39) = ( 0.0000000 0.0000000 0.2638889), wk = 0.0020833 k( 40) = ( 0.0000000 0.0000000 0.2708333), wk = 0.0020833 k( 41) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0020833 k( 42) = ( 0.0000000 0.0000000 0.2847222), wk = 0.0020833 k( 43) = ( 0.0000000 0.0000000 0.2916667), wk = 0.0020833 k( 44) = ( 0.0000000 0.0000000 0.2986111), wk = 0.0020833 k( 45) = ( 0.0000000 0.0000000 0.3055556), wk = 0.0020833 k( 46) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0020833 k( 47) = ( 0.0000000 0.0000000 0.3194444), wk = 0.0020833 k( 48) = ( 0.0000000 0.0000000 0.3263889), wk = 0.0020833 k( 49) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0020833 k( 50) = ( 0.0000000 0.0000000 0.3402778), wk = 0.0020833 k( 51) = ( 0.0000000 0.0000000 0.3472222), wk = 0.0020833 k( 52) = ( 0.0000000 0.0000000 0.3541667), wk = 0.0020833 k( 53) = ( 0.0000000 0.0000000 0.3611111), wk = 0.0020833 k( 54) = ( 0.0000000 0.0000000 0.3680556), wk = 0.0020833 k( 55) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0020833 k( 56) = ( 0.0000000 0.0000000 0.3819444), wk = 0.0020833 k( 57) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0020833 k( 58) = ( 0.0000000 0.0000000 0.3958333), wk = 0.0020833 k( 59) = ( 0.0000000 0.0000000 0.4027778), wk = 0.0020833 k( 60) = ( 0.0000000 0.0000000 0.4097222), wk = 0.0020833 k( 61) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0020833 k( 62) = ( 0.0000000 0.0000000 0.4236111), wk = 0.0020833 k( 63) = ( 0.0000000 0.0000000 0.4305556), wk = 0.0020833 k( 64) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0020833 k( 65) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0020833 k( 66) = ( 0.0000000 0.0000000 0.4513889), wk = 0.0020833 k( 67) = ( 0.0000000 0.0000000 0.4583333), wk = 0.0020833 k( 68) = ( 0.0000000 0.0000000 0.4652778), wk = 0.0020833 k( 69) = ( 0.0000000 0.0000000 0.4722222), wk = 0.0020833 k( 70) = ( 0.0000000 0.0000000 0.4791667), wk = 0.0020833 k( 71) = ( 0.0000000 0.0000000 0.4861111), wk = 0.0020833 k( 72) = ( 0.0000000 0.0000000 0.4930556), wk = 0.0020833 k( 73) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020833 k( 74) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020833 k( 75) = ( -0.0069888 0.0069888 0.5000000), wk = 0.0020833 k( 76) = ( -0.0139775 0.0139775 0.5000000), wk = 0.0020833 k( 77) = ( -0.0209663 0.0209663 0.5000000), wk = 0.0020833 k( 78) = ( -0.0279551 0.0279551 0.5000000), wk = 0.0020833 k( 79) = ( -0.0349438 0.0349438 0.5000000), wk = 0.0020833 k( 80) = ( -0.0419326 0.0419326 0.5000000), wk = 0.0020833 k( 81) = ( -0.0489214 0.0489214 0.5000000), wk = 0.0020833 k( 82) = ( -0.0559101 0.0559101 0.5000000), wk = 0.0020833 k( 83) = ( -0.0628989 0.0628989 0.5000000), wk = 0.0020833 k( 84) = ( -0.0698877 0.0698877 0.5000000), wk = 0.0020833 k( 85) = ( -0.0768764 0.0768764 0.5000000), wk = 0.0020833 k( 86) = ( -0.0838652 0.0838652 0.5000000), wk = 0.0020833 k( 87) = ( -0.0908540 0.0908540 0.5000000), wk = 0.0020833 k( 88) = ( -0.0978427 0.0978427 0.5000000), wk = 0.0020833 k( 89) = ( -0.1048315 0.1048315 0.5000000), wk = 0.0020833 k( 90) = ( -0.1118203 0.1118203 0.5000000), wk = 0.0020833 k( 91) = ( -0.1188090 0.1188090 0.5000000), wk = 0.0020833 k( 92) = ( -0.1188090 0.1188090 0.5000000), wk = 0.0020833 k( 93) = ( -0.1236961 0.1236961 0.4951129), wk = 0.0020833 k( 94) = ( -0.1285832 0.1285832 0.4902259), wk = 0.0020833 k( 95) = ( -0.1334702 0.1334702 0.4853388), wk = 0.0020833 k( 96) = ( -0.1383573 0.1383573 0.4804517), wk = 0.0020833 k( 97) = ( -0.1432443 0.1432443 0.4755647), wk = 0.0020833 k( 98) = ( -0.1481314 0.1481314 0.4706776), wk = 0.0020833 k( 99) = ( -0.1530185 0.1530185 0.4657905), wk = 0.0020833 k( 100) = ( -0.1579055 0.1579055 0.4609035), wk = 0.0020833 k( 101) = ( -0.1627926 0.1627926 0.4560164), wk = 0.0020833 k( 102) = ( -0.1676797 0.1676797 0.4511294), wk = 0.0020833 k( 103) = ( -0.1725667 0.1725667 0.4462423), wk = 0.0020833 k( 104) = ( -0.1774538 0.1774538 0.4413552), wk = 0.0020833 k( 105) = ( -0.1823408 0.1823408 0.4364682), wk = 0.0020833 k( 106) = ( -0.1872279 0.1872279 0.4315811), wk = 0.0020833 k( 107) = ( -0.1921150 0.1921150 0.4266940), wk = 0.0020833 k( 108) = ( -0.1970020 0.1970020 0.4218070), wk = 0.0020833 k( 109) = ( -0.2018891 0.2018891 0.4169199), wk = 0.0020833 k( 110) = ( -0.2067762 0.2067762 0.4120329), wk = 0.0020833 k( 111) = ( -0.2116632 0.2116632 0.4071458), wk = 0.0020833 k( 112) = ( -0.2165503 0.2165503 0.4022587), wk = 0.0020833 k( 113) = ( -0.2214374 0.2214374 0.3973717), wk = 0.0020833 k( 114) = ( -0.2263244 0.2263244 0.3924846), wk = 0.0020833 k( 115) = ( -0.2312115 0.2312115 0.3875975), wk = 0.0020833 k( 116) = ( -0.2360985 0.2360986 0.3827105), wk = 0.0020833 k( 117) = ( -0.2409856 0.2409856 0.3778234), wk = 0.0020833 k( 118) = ( -0.2458727 0.2458727 0.3729363), wk = 0.0020833 k( 119) = ( -0.2507598 0.2507598 0.3680493), wk = 0.0020833 k( 120) = ( -0.2556468 0.2556468 0.3631622), wk = 0.0020833 k( 121) = ( -0.2605339 0.2605339 0.3582752), wk = 0.0020833 k( 122) = ( -0.2654209 0.2654209 0.3533881), wk = 0.0020833 k( 123) = ( -0.2703080 0.2703080 0.3485010), wk = 0.0020833 k( 124) = ( -0.2751951 0.2751951 0.3436140), wk = 0.0020833 k( 125) = ( -0.2800821 0.2800821 0.3387269), wk = 0.0020833 k( 126) = ( -0.2849692 0.2849692 0.3338398), wk = 0.0020833 k( 127) = ( -0.2898563 0.2898563 0.3289528), wk = 0.0020833 k( 128) = ( -0.2947433 0.2947433 0.3240657), wk = 0.0020833 k( 129) = ( -0.2996304 0.2996304 0.3191786), wk = 0.0020833 k( 130) = ( -0.3045175 0.3045175 0.3142916), wk = 0.0020833 k( 131) = ( -0.3094045 0.3094045 0.3094045), wk = 0.0020833 k( 132) = ( -0.3094045 0.3094045 0.3094045), wk = 0.0020833 k( 133) = ( -0.3044933 0.3044933 0.3044933), wk = 0.0020833 k( 134) = ( -0.2995821 0.2995821 0.2995821), wk = 0.0020833 k( 135) = ( -0.2946710 0.2946710 0.2946710), wk = 0.0020833 k( 136) = ( -0.2897598 0.2897598 0.2897598), wk = 0.0020833 k( 137) = ( -0.2848486 0.2848486 0.2848486), wk = 0.0020833 k( 138) = ( -0.2799374 0.2799374 0.2799374), wk = 0.0020833 k( 139) = ( -0.2750262 0.2750262 0.2750262), wk = 0.0020833 k( 140) = ( -0.2701151 0.2701151 0.2701151), wk = 0.0020833 k( 141) = ( -0.2652039 0.2652039 0.2652039), wk = 0.0020833 k( 142) = ( -0.2602927 0.2602927 0.2602927), wk = 0.0020833 k( 143) = ( -0.2553815 0.2553815 0.2553815), wk = 0.0020833 k( 144) = ( -0.2504703 0.2504703 0.2504703), wk = 0.0020833 k( 145) = ( -0.2455591 0.2455591 0.2455591), wk = 0.0020833 k( 146) = ( -0.2406479 0.2406479 0.2406479), wk = 0.0020833 k( 147) = ( -0.2357368 0.2357368 0.2357368), wk = 0.0020833 k( 148) = ( -0.2308256 0.2308256 0.2308256), wk = 0.0020833 k( 149) = ( -0.2259144 0.2259144 0.2259144), wk = 0.0020833 k( 150) = ( -0.2210032 0.2210032 0.2210032), wk = 0.0020833 k( 151) = ( -0.2160920 0.2160920 0.2160920), wk = 0.0020833 k( 152) = ( -0.2111809 0.2111809 0.2111809), wk = 0.0020833 k( 153) = ( -0.2062697 0.2062697 0.2062697), wk = 0.0020833 k( 154) = ( -0.2013585 0.2013585 0.2013585), wk = 0.0020833 k( 155) = ( -0.1964473 0.1964473 0.1964473), wk = 0.0020833 k( 156) = ( -0.1915361 0.1915361 0.1915361), wk = 0.0020833 k( 157) = ( -0.1866249 0.1866249 0.1866249), wk = 0.0020833 k( 158) = ( -0.1817138 0.1817138 0.1817138), wk = 0.0020833 k( 159) = ( -0.1768026 0.1768026 0.1768026), wk = 0.0020833 k( 160) = ( -0.1718914 0.1718914 0.1718914), wk = 0.0020833 k( 161) = ( -0.1669802 0.1669802 0.1669802), wk = 0.0020833 k( 162) = ( -0.1620690 0.1620690 0.1620690), wk = 0.0020833 k( 163) = ( -0.1571578 0.1571579 0.1571578), wk = 0.0020833 k( 164) = ( -0.1522467 0.1522467 0.1522467), wk = 0.0020833 k( 165) = ( -0.1473355 0.1473355 0.1473355), wk = 0.0020833 k( 166) = ( -0.1424243 0.1424243 0.1424243), wk = 0.0020833 k( 167) = ( -0.1375131 0.1375131 0.1375131), wk = 0.0020833 k( 168) = ( -0.1326019 0.1326019 0.1326019), wk = 0.0020833 k( 169) = ( -0.1276907 0.1276907 0.1276907), wk = 0.0020833 k( 170) = ( -0.1227796 0.1227796 0.1227796), wk = 0.0020833 k( 171) = ( -0.1178684 0.1178684 0.1178684), wk = 0.0020833 k( 172) = ( -0.1129572 0.1129572 0.1129572), wk = 0.0020833 k( 173) = ( -0.1080460 0.1080460 0.1080460), wk = 0.0020833 k( 174) = ( -0.1031348 0.1031348 0.1031348), wk = 0.0020833 k( 175) = ( -0.0982236 0.0982237 0.0982236), wk = 0.0020833 k( 176) = ( -0.0933125 0.0933125 0.0933125), wk = 0.0020833 k( 177) = ( -0.0884013 0.0884013 0.0884013), wk = 0.0020833 k( 178) = ( -0.0834901 0.0834901 0.0834901), wk = 0.0020833 k( 179) = ( -0.0785789 0.0785789 0.0785789), wk = 0.0020833 k( 180) = ( -0.0736677 0.0736677 0.0736677), wk = 0.0020833 k( 181) = ( -0.0687566 0.0687566 0.0687566), wk = 0.0020833 k( 182) = ( -0.0638454 0.0638454 0.0638454), wk = 0.0020833 k( 183) = ( -0.0589342 0.0589342 0.0589342), wk = 0.0020833 k( 184) = ( -0.0540230 0.0540230 0.0540230), wk = 0.0020833 k( 185) = ( -0.0491118 0.0491118 0.0491118), wk = 0.0020833 k( 186) = ( -0.0442006 0.0442006 0.0442006), wk = 0.0020833 k( 187) = ( -0.0392895 0.0392895 0.0392895), wk = 0.0020833 k( 188) = ( -0.0343783 0.0343783 0.0343783), wk = 0.0020833 k( 189) = ( -0.0294671 0.0294671 0.0294671), wk = 0.0020833 k( 190) = ( -0.0245559 0.0245559 0.0245559), wk = 0.0020833 k( 191) = ( -0.0196447 0.0196447 0.0196447), wk = 0.0020833 k( 192) = ( -0.0147335 0.0147335 0.0147336), wk = 0.0020833 k( 193) = ( -0.0098224 0.0098224 0.0098224), wk = 0.0020833 k( 194) = ( -0.0049112 0.0049112 0.0049112), wk = 0.0020833 k( 195) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020833 k( 196) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020833 k( 197) = ( 0.0100000 0.0100000 -0.0100000), wk = 0.0020833 k( 198) = ( 0.0200000 0.0200000 -0.0200000), wk = 0.0020833 k( 199) = ( 0.0300000 0.0300000 -0.0300000), wk = 0.0020833 k( 200) = ( 0.0400000 0.0400000 -0.0400000), wk = 0.0020833 k( 201) = ( 0.0500000 0.0500000 -0.0500000), wk = 0.0020833 k( 202) = ( 0.0600000 0.0600000 -0.0600000), wk = 0.0020833 k( 203) = ( 0.0700000 0.0700000 -0.0700000), wk = 0.0020833 k( 204) = ( 0.0800000 0.0800000 -0.0800000), wk = 0.0020833 k( 205) = ( 0.0900000 0.0900000 -0.0900000), wk = 0.0020833 k( 206) = ( 0.1000000 0.1000000 -0.1000000), wk = 0.0020833 k( 207) = ( 0.1100000 0.1100000 -0.1100000), wk = 0.0020833 k( 208) = ( 0.1200000 0.1200000 -0.1200000), wk = 0.0020833 k( 209) = ( 0.1300000 0.1300000 -0.1300000), wk = 0.0020833 k( 210) = ( 0.1400000 0.1400000 -0.1400000), wk = 0.0020833 k( 211) = ( 0.1500000 0.1500000 -0.1500000), wk = 0.0020833 k( 212) = ( 0.1600000 0.1600000 -0.1600000), wk = 0.0020833 k( 213) = ( 0.1700000 0.1700000 -0.1700000), wk = 0.0020833 k( 214) = ( 0.1800000 0.1800000 -0.1800000), wk = 0.0020833 k( 215) = ( 0.1900000 0.1900000 -0.1900000), wk = 0.0020833 k( 216) = ( 0.2000000 0.2000000 -0.2000000), wk = 0.0020833 k( 217) = ( 0.2100000 0.2100000 -0.2100000), wk = 0.0020833 k( 218) = ( 0.2200000 0.2200000 -0.2200000), wk = 0.0020833 k( 219) = ( 0.2300000 0.2300000 -0.2300000), wk = 0.0020833 k( 220) = ( 0.2400000 0.2400000 -0.2400000), wk = 0.0020833 k( 221) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0020833 k( 222) = ( 0.2600000 0.2600000 -0.2600000), wk = 0.0020833 k( 223) = ( 0.2700000 0.2700000 -0.2700000), wk = 0.0020833 k( 224) = ( 0.2800000 0.2800000 -0.2800000), wk = 0.0020833 k( 225) = ( 0.2900000 0.2900000 -0.2900000), wk = 0.0020833 k( 226) = ( 0.3000000 0.3000000 -0.3000000), wk = 0.0020833 k( 227) = ( 0.3100000 0.3100000 -0.3100000), wk = 0.0020833 k( 228) = ( 0.3200000 0.3200000 -0.3200000), wk = 0.0020833 k( 229) = ( 0.3300000 0.3300000 -0.3300000), wk = 0.0020833 k( 230) = ( 0.3400000 0.3400000 -0.3400000), wk = 0.0020833 k( 231) = ( 0.3500000 0.3500000 -0.3500000), wk = 0.0020833 k( 232) = ( 0.3600000 0.3600000 -0.3600000), wk = 0.0020833 k( 233) = ( 0.3700000 0.3700000 -0.3700000), wk = 0.0020833 k( 234) = ( 0.3800000 0.3800000 -0.3800000), wk = 0.0020833 k( 235) = ( 0.3900000 0.3900000 -0.3900000), wk = 0.0020833 k( 236) = ( 0.4000000 0.4000000 -0.4000000), wk = 0.0020833 k( 237) = ( 0.4100000 0.4100000 -0.4100000), wk = 0.0020833 k( 238) = ( 0.4200000 0.4200000 -0.4200000), wk = 0.0020833 k( 239) = ( 0.4300000 0.4300000 -0.4300000), wk = 0.0020833 k( 240) = ( 0.4400000 0.4400000 -0.4400000), wk = 0.0020833 k( 241) = ( 0.4500000 0.4500000 -0.4500000), wk = 0.0020833 k( 242) = ( 0.4600000 0.4600000 -0.4600000), wk = 0.0020833 k( 243) = ( 0.4700000 0.4700000 -0.4700000), wk = 0.0020833 k( 244) = ( 0.4800000 0.4800000 -0.4800000), wk = 0.0020833 k( 245) = ( 0.4900000 0.4900000 -0.4900000), wk = 0.0020833 k( 246) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0020833 k( 247) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0020833 k( 248) = ( 0.4951129 0.5048871 -0.4951129), wk = 0.0020833 k( 249) = ( 0.4902259 0.5097741 -0.4902259), wk = 0.0020833 k( 250) = ( 0.4853388 0.5146612 -0.4853388), wk = 0.0020833 k( 251) = ( 0.4804517 0.5195483 -0.4804517), wk = 0.0020833 k( 252) = ( 0.4755647 0.5244353 -0.4755647), wk = 0.0020833 k( 253) = ( 0.4706776 0.5293224 -0.4706776), wk = 0.0020833 k( 254) = ( 0.4657906 0.5342094 -0.4657906), wk = 0.0020833 k( 255) = ( 0.4609035 0.5390965 -0.4609035), wk = 0.0020833 k( 256) = ( 0.4560164 0.5439836 -0.4560164), wk = 0.0020833 k( 257) = ( 0.4511294 0.5488706 -0.4511294), wk = 0.0020833 k( 258) = ( 0.4462423 0.5537577 -0.4462423), wk = 0.0020833 k( 259) = ( 0.4413552 0.5586448 -0.4413552), wk = 0.0020833 k( 260) = ( 0.4364682 0.5635318 -0.4364682), wk = 0.0020833 k( 261) = ( 0.4315811 0.5684189 -0.4315811), wk = 0.0020833 k( 262) = ( 0.4266940 0.5733060 -0.4266940), wk = 0.0020833 k( 263) = ( 0.4218070 0.5781930 -0.4218070), wk = 0.0020833 k( 264) = ( 0.4169199 0.5830801 -0.4169199), wk = 0.0020833 k( 265) = ( 0.4120329 0.5879672 -0.4120329), wk = 0.0020833 k( 266) = ( 0.4071458 0.5928542 -0.4071458), wk = 0.0020833 k( 267) = ( 0.4022587 0.5977413 -0.4022587), wk = 0.0020833 k( 268) = ( 0.3973717 0.6026283 -0.3973717), wk = 0.0020833 k( 269) = ( 0.3924846 0.6075154 -0.3924846), wk = 0.0020833 k( 270) = ( 0.3875975 0.6124025 -0.3875975), wk = 0.0020833 k( 271) = ( 0.3827105 0.6172895 -0.3827105), wk = 0.0020833 k( 272) = ( 0.3778234 0.6221766 -0.3778234), wk = 0.0020833 k( 273) = ( 0.3729363 0.6270637 -0.3729363), wk = 0.0020833 k( 274) = ( 0.3680493 0.6319507 -0.3680493), wk = 0.0020833 k( 275) = ( 0.3631622 0.6368378 -0.3631622), wk = 0.0020833 k( 276) = ( 0.3582751 0.6417249 -0.3582752), wk = 0.0020833 k( 277) = ( 0.3533881 0.6466119 -0.3533881), wk = 0.0020833 k( 278) = ( 0.3485010 0.6514990 -0.3485010), wk = 0.0020833 k( 279) = ( 0.3436140 0.6563860 -0.3436140), wk = 0.0020833 k( 280) = ( 0.3387269 0.6612731 -0.3387269), wk = 0.0020833 k( 281) = ( 0.3338398 0.6661602 -0.3338398), wk = 0.0020833 k( 282) = ( 0.3289528 0.6710472 -0.3289528), wk = 0.0020833 k( 283) = ( 0.3240657 0.6759343 -0.3240657), wk = 0.0020833 k( 284) = ( 0.3191786 0.6808214 -0.3191786), wk = 0.0020833 k( 285) = ( 0.3142916 0.6857084 -0.3142916), wk = 0.0020833 k( 286) = ( 0.3094045 0.6905955 -0.3094045), wk = 0.0020833 k( 287) = ( 0.3094045 0.6905955 -0.3094045), wk = 0.0020833 k( 288) = ( 0.2983543 0.6837885 -0.2983544), wk = 0.0020833 k( 289) = ( 0.2873042 0.6769815 -0.2873042), wk = 0.0020833 k( 290) = ( 0.2762540 0.6701745 -0.2762540), wk = 0.0020833 k( 291) = ( 0.2652039 0.6633676 -0.2652039), wk = 0.0020833 k( 292) = ( 0.2541537 0.6565606 -0.2541537), wk = 0.0020833 k( 293) = ( 0.2431035 0.6497536 -0.2431035), wk = 0.0020833 k( 294) = ( 0.2320534 0.6429466 -0.2320534), wk = 0.0020833 k( 295) = ( 0.2210032 0.6361396 -0.2210032), wk = 0.0020833 k( 296) = ( 0.2099531 0.6293327 -0.2099531), wk = 0.0020833 k( 297) = ( 0.1989029 0.6225257 -0.1989029), wk = 0.0020833 k( 298) = ( 0.1878527 0.6157187 -0.1878527), wk = 0.0020833 k( 299) = ( 0.1768026 0.6089117 -0.1768026), wk = 0.0020833 k( 300) = ( 0.1657524 0.6021047 -0.1657524), wk = 0.0020833 k( 301) = ( 0.1547023 0.5952977 -0.1547023), wk = 0.0020833 k( 302) = ( 0.1436521 0.5884908 -0.1436521), wk = 0.0020833 k( 303) = ( 0.1326019 0.5816838 -0.1326019), wk = 0.0020833 k( 304) = ( 0.1215518 0.5748768 -0.1215518), wk = 0.0020833 k( 305) = ( 0.1105016 0.5680698 -0.1105016), wk = 0.0020833 k( 306) = ( 0.0994514 0.5612628 -0.0994514), wk = 0.0020833 k( 307) = ( 0.0884013 0.5544558 -0.0884013), wk = 0.0020833 k( 308) = ( 0.0773511 0.5476489 -0.0773511), wk = 0.0020833 k( 309) = ( 0.0663010 0.5408419 -0.0663010), wk = 0.0020833 k( 310) = ( 0.0552508 0.5340349 -0.0552508), wk = 0.0020833 k( 311) = ( 0.0442006 0.5272279 -0.0442006), wk = 0.0020833 k( 312) = ( 0.0331505 0.5204209 -0.0331505), wk = 0.0020833 k( 313) = ( 0.0221003 0.5136140 -0.0221003), wk = 0.0020833 k( 314) = ( 0.0110502 0.5068070 -0.0110502), wk = 0.0020833 k( 315) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0020833 k( 316) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0020833 k( 317) = ( 0.0049020 0.4950980 0.0049020), wk = 0.0020833 k( 318) = ( 0.0098039 0.4901961 0.0098039), wk = 0.0020833 k( 319) = ( 0.0147059 0.4852941 0.0147059), wk = 0.0020833 k( 320) = ( 0.0196078 0.4803922 0.0196078), wk = 0.0020833 k( 321) = ( 0.0245098 0.4754902 0.0245098), wk = 0.0020833 k( 322) = ( 0.0294118 0.4705882 0.0294118), wk = 0.0020833 k( 323) = ( 0.0343137 0.4656863 0.0343137), wk = 0.0020833 k( 324) = ( 0.0392157 0.4607843 0.0392157), wk = 0.0020833 k( 325) = ( 0.0441177 0.4558823 0.0441176), wk = 0.0020833 k( 326) = ( 0.0490196 0.4509804 0.0490196), wk = 0.0020833 k( 327) = ( 0.0539216 0.4460784 0.0539216), wk = 0.0020833 k( 328) = ( 0.0588235 0.4411765 0.0588235), wk = 0.0020833 k( 329) = ( 0.0637255 0.4362745 0.0637255), wk = 0.0020833 k( 330) = ( 0.0686275 0.4313726 0.0686274), wk = 0.0020833 k( 331) = ( 0.0735294 0.4264706 0.0735294), wk = 0.0020833 k( 332) = ( 0.0784314 0.4215686 0.0784314), wk = 0.0020833 k( 333) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0020833 k( 334) = ( 0.0882353 0.4117647 0.0882353), wk = 0.0020833 k( 335) = ( 0.0931373 0.4068627 0.0931373), wk = 0.0020833 k( 336) = ( 0.0980392 0.4019608 0.0980392), wk = 0.0020833 k( 337) = ( 0.1029412 0.3970588 0.1029412), wk = 0.0020833 k( 338) = ( 0.1078431 0.3921569 0.1078431), wk = 0.0020833 k( 339) = ( 0.1127451 0.3872549 0.1127451), wk = 0.0020833 k( 340) = ( 0.1176471 0.3823529 0.1176471), wk = 0.0020833 k( 341) = ( 0.1225490 0.3774510 0.1225490), wk = 0.0020833 k( 342) = ( 0.1274510 0.3725490 0.1274510), wk = 0.0020833 k( 343) = ( 0.1323529 0.3676471 0.1323529), wk = 0.0020833 k( 344) = ( 0.1372549 0.3627451 0.1372549), wk = 0.0020833 k( 345) = ( 0.1421569 0.3578431 0.1421569), wk = 0.0020833 k( 346) = ( 0.1470588 0.3529412 0.1470588), wk = 0.0020833 k( 347) = ( 0.1519608 0.3480392 0.1519608), wk = 0.0020833 k( 348) = ( 0.1568627 0.3431373 0.1568628), wk = 0.0020833 k( 349) = ( 0.1617647 0.3382353 0.1617647), wk = 0.0020833 k( 350) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0020833 k( 351) = ( 0.1715686 0.3284314 0.1715686), wk = 0.0020833 k( 352) = ( 0.1764706 0.3235294 0.1764706), wk = 0.0020833 k( 353) = ( 0.1813725 0.3186275 0.1813725), wk = 0.0020833 k( 354) = ( 0.1862745 0.3137255 0.1862745), wk = 0.0020833 k( 355) = ( 0.1911765 0.3088235 0.1911765), wk = 0.0020833 k( 356) = ( 0.1960784 0.3039216 0.1960784), wk = 0.0020833 k( 357) = ( 0.2009804 0.2990196 0.2009804), wk = 0.0020833 k( 358) = ( 0.2058823 0.2941177 0.2058823), wk = 0.0020833 k( 359) = ( 0.2107843 0.2892157 0.2107843), wk = 0.0020833 k( 360) = ( 0.2156863 0.2843137 0.2156863), wk = 0.0020833 k( 361) = ( 0.2205882 0.2794118 0.2205882), wk = 0.0020833 k( 362) = ( 0.2254902 0.2745098 0.2254902), wk = 0.0020833 k( 363) = ( 0.2303922 0.2696078 0.2303922), wk = 0.0020833 k( 364) = ( 0.2352941 0.2647059 0.2352941), wk = 0.0020833 k( 365) = ( 0.2401961 0.2598039 0.2401961), wk = 0.0020833 k( 366) = ( 0.2450980 0.2549020 0.2450980), wk = 0.0020833 k( 367) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0020833 k( 368) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0020833 k( 369) = ( 0.2583333 0.2583333 0.2377064), wk = 0.0020833 k( 370) = ( 0.2666667 0.2666667 0.2254127), wk = 0.0020833 k( 371) = ( 0.2750000 0.2750000 0.2131191), wk = 0.0020833 k( 372) = ( 0.2833333 0.2833333 0.2008255), wk = 0.0020833 k( 373) = ( 0.2916667 0.2916667 0.1885318), wk = 0.0020833 k( 374) = ( 0.3000000 0.3000000 0.1762382), wk = 0.0020833 k( 375) = ( 0.3083333 0.3083333 0.1639446), wk = 0.0020833 k( 376) = ( 0.3166667 0.3166667 0.1516509), wk = 0.0020833 k( 377) = ( 0.3250000 0.3250000 0.1393573), wk = 0.0020833 k( 378) = ( 0.3333333 0.3333333 0.1270637), wk = 0.0020833 k( 379) = ( 0.3416667 0.3416667 0.1147700), wk = 0.0020833 k( 380) = ( 0.3500000 0.3500000 0.1024764), wk = 0.0020833 k( 381) = ( 0.3583333 0.3583333 0.0901828), wk = 0.0020833 k( 382) = ( 0.3666667 0.3666667 0.0778891), wk = 0.0020833 k( 383) = ( 0.3750000 0.3750000 0.0655955), wk = 0.0020833 k( 384) = ( 0.3833333 0.3833333 0.0533018), wk = 0.0020833 k( 385) = ( 0.3916667 0.3916667 0.0410082), wk = 0.0020833 k( 386) = ( 0.4000000 0.4000000 0.0287146), wk = 0.0020833 k( 387) = ( 0.4083333 0.4083333 0.0164209), wk = 0.0020833 k( 388) = ( 0.4166667 0.4166667 0.0041273), wk = 0.0020833 k( 389) = ( 0.4250000 0.4250000 -0.0081663), wk = 0.0020833 k( 390) = ( 0.4333333 0.4333333 -0.0204600), wk = 0.0020833 k( 391) = ( 0.4416667 0.4416667 -0.0327536), wk = 0.0020833 k( 392) = ( 0.4500000 0.4500000 -0.0450472), wk = 0.0020833 k( 393) = ( 0.4583333 0.4583333 -0.0573409), wk = 0.0020833 k( 394) = ( 0.4666667 0.4666667 -0.0696345), wk = 0.0020833 k( 395) = ( 0.4750000 0.4750000 -0.0819281), wk = 0.0020833 k( 396) = ( 0.4833333 0.4833333 -0.0942217), wk = 0.0020833 k( 397) = ( 0.4916667 0.4916667 -0.1065154), wk = 0.0020833 k( 398) = ( 0.5000000 0.5000000 -0.1188090), wk = 0.0020833 k( 399) = ( 0.5000000 0.5000000 -0.1188090), wk = 0.0020833 k( 400) = ( 0.5000000 0.5000000 -0.1257398), wk = 0.0020833 k( 401) = ( 0.5000000 0.5000000 -0.1326705), wk = 0.0020833 k( 402) = ( 0.5000000 0.5000000 -0.1396013), wk = 0.0020833 k( 403) = ( 0.5000000 0.5000000 -0.1465320), wk = 0.0020833 k( 404) = ( 0.5000000 0.5000000 -0.1534628), wk = 0.0020833 k( 405) = ( 0.5000000 0.5000000 -0.1603935), wk = 0.0020833 k( 406) = ( 0.5000000 0.5000000 -0.1673242), wk = 0.0020833 k( 407) = ( 0.5000000 0.5000000 -0.1742550), wk = 0.0020833 k( 408) = ( 0.5000000 0.5000000 -0.1811857), wk = 0.0020833 k( 409) = ( 0.5000000 0.5000000 -0.1881165), wk = 0.0020833 k( 410) = ( 0.5000000 0.5000000 -0.1950472), wk = 0.0020833 k( 411) = ( 0.5000000 0.5000000 -0.2019780), wk = 0.0020833 k( 412) = ( 0.5000000 0.5000000 -0.2089087), wk = 0.0020833 k( 413) = ( 0.5000000 0.5000000 -0.2158395), wk = 0.0020833 k( 414) = ( 0.5000000 0.5000000 -0.2227702), wk = 0.0020833 k( 415) = ( 0.5000000 0.5000000 -0.2297009), wk = 0.0020833 k( 416) = ( 0.5000000 0.5000000 -0.2366317), wk = 0.0020833 k( 417) = ( 0.5000000 0.5000000 -0.2435624), wk = 0.0020833 k( 418) = ( 0.5000000 0.5000000 -0.2504932), wk = 0.0020833 k( 419) = ( 0.5000000 0.5000000 -0.2574239), wk = 0.0020833 k( 420) = ( 0.5000000 0.5000000 -0.2643547), wk = 0.0020833 k( 421) = ( 0.5000000 0.5000000 -0.2712854), wk = 0.0020833 k( 422) = ( 0.5000000 0.5000000 -0.2782162), wk = 0.0020833 k( 423) = ( 0.5000000 0.5000000 -0.2851469), wk = 0.0020833 k( 424) = ( 0.5000000 0.5000000 -0.2920777), wk = 0.0020833 k( 425) = ( 0.5000000 0.5000000 -0.2990084), wk = 0.0020833 k( 426) = ( 0.5000000 0.5000000 -0.3059391), wk = 0.0020833 k( 427) = ( 0.5000000 0.5000000 -0.3128699), wk = 0.0020833 k( 428) = ( 0.5000000 0.5000000 -0.3198006), wk = 0.0020833 k( 429) = ( 0.5000000 0.5000000 -0.3267314), wk = 0.0020833 k( 430) = ( 0.5000000 0.5000000 -0.3336621), wk = 0.0020833 k( 431) = ( 0.5000000 0.5000000 -0.3405929), wk = 0.0020833 k( 432) = ( 0.5000000 0.5000000 -0.3475236), wk = 0.0020833 k( 433) = ( 0.5000000 0.5000000 -0.3544544), wk = 0.0020833 k( 434) = ( 0.5000000 0.5000000 -0.3613851), wk = 0.0020833 k( 435) = ( 0.5000000 0.5000000 -0.3683158), wk = 0.0020833 k( 436) = ( 0.5000000 0.5000000 -0.3752466), wk = 0.0020833 k( 437) = ( 0.5000000 0.5000000 -0.3821773), wk = 0.0020833 k( 438) = ( 0.5000000 0.5000000 -0.3891081), wk = 0.0020833 k( 439) = ( 0.5000000 0.5000000 -0.3960388), wk = 0.0020833 k( 440) = ( 0.5000000 0.5000000 -0.4029696), wk = 0.0020833 k( 441) = ( 0.5000000 0.5000000 -0.4099003), wk = 0.0020833 k( 442) = ( 0.5000000 0.5000000 -0.4168311), wk = 0.0020833 k( 443) = ( 0.5000000 0.5000000 -0.4237618), wk = 0.0020833 k( 444) = ( 0.5000000 0.5000000 -0.4306926), wk = 0.0020833 k( 445) = ( 0.5000000 0.5000000 -0.4376233), wk = 0.0020833 k( 446) = ( 0.5000000 0.5000000 -0.4445540), wk = 0.0020833 k( 447) = ( 0.5000000 0.5000000 -0.4514848), wk = 0.0020833 k( 448) = ( 0.5000000 0.5000000 -0.4584155), wk = 0.0020833 k( 449) = ( 0.5000000 0.5000000 -0.4653463), wk = 0.0020833 k( 450) = ( 0.5000000 0.5000000 -0.4722770), wk = 0.0020833 k( 451) = ( 0.5000000 0.5000000 -0.4792078), wk = 0.0020833 k( 452) = ( 0.5000000 0.5000000 -0.4861385), wk = 0.0020833 k( 453) = ( 0.5000000 0.5000000 -0.4930693), wk = 0.0020833 k( 454) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0020833 k( 455) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020833 k( 456) = ( 0.0100000 0.0100000 0.4900000), wk = 0.0020833 k( 457) = ( 0.0200000 0.0200000 0.4800000), wk = 0.0020833 k( 458) = ( 0.0300000 0.0300000 0.4700000), wk = 0.0020833 k( 459) = ( 0.0400000 0.0400000 0.4600000), wk = 0.0020833 k( 460) = ( 0.0500000 0.0500000 0.4500000), wk = 0.0020833 k( 461) = ( 0.0600000 0.0600000 0.4400000), wk = 0.0020833 k( 462) = ( 0.0700000 0.0700000 0.4300000), wk = 0.0020833 k( 463) = ( 0.0800000 0.0800000 0.4200000), wk = 0.0020833 k( 464) = ( 0.0900000 0.0900000 0.4100000), wk = 0.0020833 k( 465) = ( 0.1000000 0.1000000 0.4000000), wk = 0.0020833 k( 466) = ( 0.1100000 0.1100000 0.3900000), wk = 0.0020833 k( 467) = ( 0.1200000 0.1200000 0.3800000), wk = 0.0020833 k( 468) = ( 0.1300000 0.1300000 0.3700000), wk = 0.0020833 k( 469) = ( 0.1400000 0.1400000 0.3600000), wk = 0.0020833 k( 470) = ( 0.1500000 0.1500000 0.3500000), wk = 0.0020833 k( 471) = ( 0.1600000 0.1600000 0.3400000), wk = 0.0020833 k( 472) = ( 0.1700000 0.1700000 0.3300000), wk = 0.0020833 k( 473) = ( 0.1800000 0.1800000 0.3200000), wk = 0.0020833 k( 474) = ( 0.1900000 0.1900000 0.3100000), wk = 0.0020833 k( 475) = ( 0.2000000 0.2000000 0.3000000), wk = 0.0020833 k( 476) = ( 0.2100000 0.2100000 0.2900000), wk = 0.0020833 k( 477) = ( 0.2200000 0.2200000 0.2800000), wk = 0.0020833 k( 478) = ( 0.2300000 0.2300000 0.2700000), wk = 0.0020833 k( 479) = ( 0.2400000 0.2400000 0.2600000), wk = 0.0020833 k( 480) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0020833 Dense grid: 20143 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.07 Mb ( 156, 30) NL pseudopotentials 0.12 Mb ( 78, 102) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.00 Mb ( 559) G-vector shells 0.00 Mb ( 275) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.29 Mb ( 156, 120) Each subspace H/S matrix 0.01 Mb ( 30, 30) Each matrix 0.09 Mb ( 102, 2, 30) The potential is recalculated from file : ./Al2Ru.save/charge-density.dat Starting wfc are 36 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.7 secs Computing kpt #: 2 total cpu time spent up to now is 3.0 secs Computing kpt #: 3 total cpu time spent up to now is 3.1 secs Computing kpt #: 4 total cpu time spent up to now is 3.3 secs Computing kpt #: 5 total cpu time spent up to now is 3.5 secs Computing kpt #: 6 total cpu time spent up to now is 3.7 secs Computing kpt #: 7 total cpu time spent up to now is 3.9 secs Computing kpt #: 8 total cpu time spent up to now is 4.1 secs Computing kpt #: 9 total cpu time spent up to now is 4.4 secs Computing kpt #: 10 total cpu time spent up to now is 4.6 secs Computing kpt #: 11 total cpu time spent up to now is 4.8 secs Computing kpt #: 12 total cpu time spent up to now is 5.0 secs Computing kpt #: 13 total cpu time spent up to now is 5.2 secs Computing kpt #: 14 total cpu time spent up to now is 5.6 secs Computing kpt #: 15 total cpu time spent up to now is 5.8 secs Computing kpt #: 16 total cpu time spent up to now is 6.0 secs Computing kpt #: 17 total cpu time spent up to now is 6.3 secs Computing kpt #: 18 total cpu time spent up to now is 6.5 secs Computing kpt #: 19 total cpu time spent up to now is 6.7 secs Computing kpt #: 20 total cpu time spent up to now is 6.9 secs Computing kpt #: 21 total cpu time spent up to now is 7.2 secs Computing kpt #: 22 total cpu time spent up to now is 7.4 secs Computing kpt #: 23 total cpu time spent up to now is 7.6 secs Computing kpt #: 24 total cpu time spent up to now is 7.8 secs Computing kpt #: 25 total cpu time spent up to now is 8.0 secs Computing kpt #: 26 total cpu time spent up to now is 8.3 secs Computing kpt #: 27 total cpu time spent up to now is 8.5 secs Computing kpt #: 28 total cpu time spent up to now is 8.7 secs Computing kpt #: 29 total cpu time spent up to now is 8.9 secs Computing kpt #: 30 total cpu time spent up to now is 9.1 secs Computing kpt #: 31 total cpu time spent up to now is 9.3 secs Computing kpt #: 32 total cpu time spent up to now is 9.5 secs Computing kpt #: 33 total cpu time spent up to now is 9.8 secs Computing kpt #: 34 total cpu time spent up to now is 10.0 secs Computing kpt #: 35 total cpu time spent up to now is 10.2 secs Computing kpt #: 36 total cpu time spent up to now is 10.4 secs Computing kpt #: 37 total cpu time spent up to now is 10.6 secs Computing kpt #: 38 total cpu time spent up to now is 10.8 secs Computing kpt #: 39 total cpu time spent up to now is 11.0 secs Computing kpt #: 40 total cpu time spent up to now is 11.2 secs Computing kpt #: 41 total cpu time spent up to now is 11.4 secs Computing kpt #: 42 total cpu time spent up to now is 11.6 secs Computing kpt #: 43 total cpu time spent up to now is 11.8 secs Computing kpt #: 44 total cpu time spent up to now is 12.0 secs Computing kpt #: 45 total cpu time spent up to now is 12.1 secs Computing kpt #: 46 total cpu time spent up to now is 12.3 secs Computing kpt #: 47 total cpu time spent up to now is 12.5 secs Computing kpt #: 48 total cpu time spent up to now is 12.7 secs Computing kpt #: 49 total cpu time spent up to now is 12.9 secs Computing kpt #: 50 total cpu time spent up to now is 13.0 secs Computing kpt #: 51 total cpu time spent up to now is 13.2 secs Computing kpt #: 52 total cpu time spent up to now is 13.4 secs Computing kpt #: 53 total cpu time spent up to now is 13.6 secs Computing kpt #: 54 total cpu time spent up to now is 13.7 secs Computing kpt #: 55 total cpu time spent up to now is 13.9 secs Computing kpt #: 56 total cpu time spent up to now is 14.1 secs Computing kpt #: 57 total cpu time spent up to now is 14.3 secs Computing kpt #: 58 total cpu time spent up to now is 14.4 secs Computing kpt #: 59 total cpu time spent up to now is 14.6 secs Computing kpt #: 60 total cpu time spent up to now is 14.8 secs Computing kpt #: 61 total cpu time spent up to now is 15.0 secs Computing kpt #: 62 total cpu time spent up to now is 15.1 secs Computing kpt #: 63 total cpu time spent up to now is 15.3 secs Computing kpt #: 64 total cpu time spent up to now is 16.9 secs Computing kpt #: 65 total cpu time spent up to now is 17.1 secs Computing kpt #: 66 total cpu time spent up to now is 17.3 secs Computing kpt #: 67 total cpu time spent up to now is 17.4 secs Computing kpt #: 68 total cpu time spent up to now is 17.6 secs Computing kpt #: 69 total cpu time spent up to now is 17.8 secs Computing kpt #: 70 total cpu time spent up to now is 18.0 secs Computing kpt #: 71 total cpu time spent up to now is 18.2 secs Computing kpt #: 72 total cpu time spent up to now is 18.4 secs Computing kpt #: 73 total cpu time spent up to now is 18.5 secs Computing kpt #: 74 total cpu time spent up to now is 18.7 secs Computing kpt #: 75 total cpu time spent up to now is 18.9 secs Computing kpt #: 76 total cpu time spent up to now is 19.0 secs Computing kpt #: 77 total cpu time spent up to now is 19.2 secs Computing kpt #: 78 total cpu time spent up to now is 19.4 secs Computing kpt #: 79 total cpu time spent up to now is 19.6 secs Computing kpt #: 80 total cpu time spent up to now is 19.7 secs Computing kpt #: 81 total cpu time spent up to now is 19.9 secs Computing kpt #: 82 total cpu time spent up to now is 20.1 secs Computing kpt #: 83 total cpu time spent up to now is 20.3 secs Computing kpt #: 84 total cpu time spent up to now is 20.4 secs Computing kpt #: 85 total cpu time spent up to now is 20.6 secs Computing kpt #: 86 total cpu time spent up to now is 20.8 secs Computing kpt #: 87 total cpu time spent up to now is 21.0 secs Computing kpt #: 88 total cpu time spent up to now is 21.2 secs Computing kpt #: 89 total cpu time spent up to now is 21.4 secs Computing kpt #: 90 total cpu time spent up to now is 21.6 secs Computing kpt #: 91 total cpu time spent up to now is 21.8 secs Computing kpt #: 92 total cpu time spent up to now is 22.0 secs Computing kpt #: 93 total cpu time spent up to now is 22.1 secs Computing kpt #: 94 total cpu time spent up to now is 22.3 secs Computing kpt #: 95 total cpu time spent up to now is 22.5 secs Computing kpt #: 96 total cpu time spent up to now is 22.7 secs Computing kpt #: 97 total cpu time spent up to now is 22.9 secs Computing kpt #: 98 total cpu time spent up to now is 23.1 secs Computing kpt #: 99 total cpu time spent up to now is 23.3 secs Computing kpt #: 100 total cpu time spent up to now is 23.5 secs Computing kpt #: 101 total cpu time spent up to now is 23.7 secs Computing kpt #: 102 total cpu time spent up to now is 23.9 secs Computing kpt #: 103 total cpu time spent up to now is 24.1 secs Computing kpt #: 104 total cpu time spent up to now is 24.3 secs Computing kpt #: 105 total cpu time spent up to now is 24.4 secs Computing kpt #: 106 total cpu time spent up to now is 24.6 secs Computing kpt #: 107 total cpu time spent up to now is 24.8 secs Computing kpt #: 108 total cpu time spent up to now is 25.0 secs Computing kpt #: 109 total cpu time spent up to now is 25.2 secs Computing kpt #: 110 total cpu time spent up to now is 25.4 secs Computing kpt #: 111 total cpu time spent up to now is 25.6 secs Computing kpt #: 112 total cpu time spent up to now is 25.7 secs Computing kpt #: 113 total cpu time spent up to now is 25.9 secs Computing kpt #: 114 total cpu time spent up to now is 26.1 secs Computing kpt #: 115 total cpu time spent up to now is 26.3 secs Computing kpt #: 116 total cpu time spent up to now is 26.5 secs Computing kpt #: 117 total cpu time spent up to now is 26.7 secs Computing kpt #: 118 total cpu time spent up to now is 26.9 secs Computing kpt #: 119 total cpu time spent up to now is 27.0 secs Computing kpt #: 120 total cpu time spent up to now is 27.2 secs Computing kpt #: 121 total cpu time spent up to now is 27.4 secs Computing kpt #: 122 total cpu time spent up to now is 27.6 secs Computing kpt #: 123 total cpu time spent up to now is 27.8 secs Computing kpt #: 124 total cpu time spent up to now is 28.0 secs Computing kpt #: 125 total cpu time spent up to now is 28.2 secs Computing kpt #: 126 total cpu time spent up to now is 28.4 secs Computing kpt #: 127 total cpu time spent up to now is 28.6 secs Computing kpt #: 128 total cpu time spent up to now is 28.8 secs Computing kpt #: 129 total cpu time spent up to now is 28.9 secs Computing kpt #: 130 total cpu time spent up to now is 29.1 secs Computing kpt #: 131 total cpu time spent up to now is 29.3 secs Computing kpt #: 132 total cpu time spent up to now is 29.5 secs Computing kpt #: 133 total cpu time spent up to now is 29.7 secs Computing kpt #: 134 total cpu time spent up to now is 29.9 secs Computing kpt #: 135 total cpu time spent up to now is 30.1 secs Computing kpt #: 136 total cpu time spent up to now is 30.3 secs Computing kpt #: 137 total cpu time spent up to now is 30.5 secs Computing kpt #: 138 total cpu time spent up to now is 30.7 secs Computing kpt #: 139 total cpu time spent up to now is 30.9 secs Computing kpt #: 140 total cpu time spent up to now is 31.1 secs Computing kpt #: 141 total cpu time spent up to now is 31.3 secs Computing kpt #: 142 total cpu time spent up to now is 31.4 secs Computing kpt #: 143 total cpu time spent up to now is 31.6 secs Computing kpt #: 144 total cpu time spent up to now is 31.8 secs Computing kpt #: 145 total cpu time spent up to now is 32.0 secs Computing kpt #: 146 total cpu time spent up to now is 32.2 secs Computing kpt #: 147 total cpu time spent up to now is 32.4 secs Computing kpt #: 148 total cpu time spent up to now is 32.6 secs Computing kpt #: 149 total cpu time spent up to now is 32.8 secs Computing kpt #: 150 total cpu time spent up to now is 33.0 secs Computing kpt #: 151 total cpu time spent up to now is 33.2 secs Computing kpt #: 152 total cpu time spent up to now is 33.4 secs Computing kpt #: 153 total cpu time spent up to now is 33.6 secs Computing kpt #: 154 total cpu time spent up to now is 33.8 secs Computing kpt #: 155 total cpu time spent up to now is 34.1 secs Computing kpt #: 156 total cpu time spent up to now is 34.3 secs Computing kpt #: 157 total cpu time spent up to now is 34.5 secs Computing kpt #: 158 total cpu time spent up to now is 34.7 secs Computing kpt #: 159 total cpu time spent up to now is 35.0 secs Computing kpt #: 160 total cpu time spent up to now is 35.2 secs Computing kpt #: 161 total cpu time spent up to now is 35.5 secs Computing kpt #: 162 total cpu time spent up to now is 35.7 secs Computing kpt #: 163 total cpu time spent up to now is 35.9 secs Computing kpt #: 164 total cpu time spent up to now is 36.1 secs Computing kpt #: 165 total cpu time spent up to now is 36.4 secs Computing kpt #: 166 total cpu time spent up to now is 36.6 secs Computing kpt #: 167 total cpu time spent up to now is 36.8 secs Computing kpt #: 168 total cpu time spent up to now is 37.0 secs Computing kpt #: 169 total cpu time spent up to now is 37.2 secs Computing kpt #: 170 total cpu time spent up to now is 37.5 secs Computing kpt #: 171 total cpu time spent up to now is 37.7 secs Computing kpt #: 172 total cpu time spent up to now is 37.9 secs Computing kpt #: 173 total cpu time spent up to now is 38.1 secs Computing kpt #: 174 total cpu time spent up to now is 38.4 secs Computing kpt #: 175 total cpu time spent up to now is 38.6 secs Computing kpt #: 176 total cpu time spent up to now is 38.8 secs Computing kpt #: 177 total cpu time spent up to now is 39.0 secs Computing kpt #: 178 total cpu time spent up to now is 39.3 secs Computing kpt #: 179 total cpu time spent up to now is 39.5 secs Computing kpt #: 180 total cpu time spent up to now is 39.7 secs Computing kpt #: 181 total cpu time spent up to now is 39.9 secs Computing kpt #: 182 total cpu time spent up to now is 40.1 secs Computing kpt #: 183 total cpu time spent up to now is 40.4 secs Computing kpt #: 184 total cpu time spent up to now is 40.6 secs Computing kpt #: 185 total cpu time spent up to now is 40.8 secs Computing kpt #: 186 total cpu time spent up to now is 41.0 secs Computing kpt #: 187 total cpu time spent up to now is 41.2 secs Computing kpt #: 188 total cpu time spent up to now is 41.4 secs Computing kpt #: 189 total cpu time spent up to now is 41.6 secs Computing kpt #: 190 total cpu time spent up to now is 41.8 secs Computing kpt #: 191 total cpu time spent up to now is 42.0 secs Computing kpt #: 192 total cpu time spent up to now is 42.2 secs Computing kpt #: 193 total cpu time spent up to now is 42.3 secs Computing kpt #: 194 total cpu time spent up to now is 42.5 secs Computing kpt #: 195 total cpu time spent up to now is 42.7 secs Computing kpt #: 196 total cpu time spent up to now is 42.9 secs Computing kpt #: 197 total cpu time spent up to now is 43.1 secs Computing kpt #: 198 total cpu time spent up to now is 43.3 secs Computing kpt #: 199 total cpu time spent up to now is 43.5 secs Computing kpt #: 200 total cpu time spent up to now is 43.7 secs Computing kpt #: 201 total cpu time spent up to now is 43.9 secs Computing kpt #: 202 total cpu time spent up to now is 44.1 secs Computing kpt #: 203 total cpu time spent up to now is 44.3 secs Computing kpt #: 204 total cpu time spent up to now is 44.5 secs Computing kpt #: 205 total cpu time spent up to now is 44.7 secs Computing kpt #: 206 total cpu time spent up to now is 44.9 secs Computing kpt #: 207 total cpu time spent up to now is 45.1 secs Computing kpt #: 208 total cpu time spent up to now is 45.3 secs Computing kpt #: 209 total cpu time spent up to now is 45.5 secs Computing kpt #: 210 total cpu time spent up to now is 45.7 secs Computing kpt #: 211 total cpu time spent up to now is 45.9 secs Computing kpt #: 212 total cpu time spent up to now is 46.1 secs Computing kpt #: 213 total cpu time spent up to now is 46.3 secs Computing kpt #: 214 total cpu time spent up to now is 46.5 secs Computing kpt #: 215 total cpu time spent up to now is 46.7 secs Computing kpt #: 216 total cpu time spent up to now is 46.9 secs Computing kpt #: 217 total cpu time spent up to now is 47.1 secs Computing kpt #: 218 total cpu time spent up to now is 47.3 secs Computing kpt #: 219 total cpu time spent up to now is 47.5 secs Computing kpt #: 220 total cpu time spent up to now is 47.7 secs Computing kpt #: 221 total cpu time spent up to now is 47.9 secs Computing kpt #: 222 total cpu time spent up to now is 48.1 secs Computing kpt #: 223 total cpu time spent up to now is 48.3 secs Computing kpt #: 224 total cpu time spent up to now is 48.5 secs Computing kpt #: 225 total cpu time spent up to now is 48.7 secs Computing kpt #: 226 total cpu time spent up to now is 48.9 secs Computing kpt #: 227 total cpu time spent up to now is 49.1 secs Computing kpt #: 228 total cpu time spent up to now is 49.3 secs Computing kpt #: 229 total cpu time spent up to now is 49.5 secs Computing kpt #: 230 total cpu time spent up to now is 49.7 secs Computing kpt #: 231 total cpu time spent up to now is 49.9 secs Computing kpt #: 232 total cpu time spent up to now is 50.1 secs Computing kpt #: 233 total cpu time spent up to now is 50.3 secs Computing kpt #: 234 total cpu time spent up to now is 50.5 secs Computing kpt #: 235 total cpu time spent up to now is 50.7 secs Computing kpt #: 236 total cpu time spent up to now is 50.9 secs Computing kpt #: 237 total cpu time spent up to now is 51.1 secs Computing kpt #: 238 total cpu time spent up to now is 51.2 secs Computing kpt #: 239 total cpu time spent up to now is 51.4 secs Computing kpt #: 240 total cpu time spent up to now is 51.6 secs Computing kpt #: 241 total cpu time spent up to now is 51.8 secs Computing kpt #: 242 total cpu time spent up to now is 52.0 secs Computing kpt #: 243 total cpu time spent up to now is 52.1 secs Computing kpt #: 244 total cpu time spent up to now is 52.3 secs Computing kpt #: 245 total cpu time spent up to now is 52.5 secs Computing kpt #: 246 total cpu time spent up to now is 52.7 secs Computing kpt #: 247 total cpu time spent up to now is 52.8 secs Computing kpt #: 248 total cpu time spent up to now is 53.0 secs Computing kpt #: 249 total cpu time spent up to now is 53.2 secs Computing kpt #: 250 total cpu time spent up to now is 53.4 secs Computing kpt #: 251 total cpu time spent up to now is 53.6 secs Computing kpt #: 252 total cpu time spent up to now is 53.8 secs Computing kpt #: 253 total cpu time spent up to now is 53.9 secs Computing kpt #: 254 total cpu time spent up to now is 54.1 secs Computing kpt #: 255 total cpu time spent up to now is 54.3 secs Computing kpt #: 256 total cpu time spent up to now is 54.5 secs Computing kpt #: 257 total cpu time spent up to now is 54.7 secs Computing kpt #: 258 total cpu time spent up to now is 54.9 secs Computing kpt #: 259 total cpu time spent up to now is 55.1 secs Computing kpt #: 260 total cpu time spent up to now is 55.3 secs Computing kpt #: 261 total cpu time spent up to now is 55.5 secs Computing kpt #: 262 total cpu time spent up to now is 55.7 secs Computing kpt #: 263 total cpu time spent up to now is 55.9 secs Computing kpt #: 264 total cpu time spent up to now is 56.1 secs Computing kpt #: 265 total cpu time spent up to now is 56.3 secs Computing kpt #: 266 total cpu time spent up to now is 56.5 secs Computing kpt #: 267 total cpu time spent up to now is 56.7 secs Computing kpt #: 268 total cpu time spent up to now is 57.0 secs Computing kpt #: 269 total cpu time spent up to now is 57.3 secs Computing kpt #: 270 total cpu time spent up to now is 57.5 secs Computing kpt #: 271 total cpu time spent up to now is 57.8 secs Computing kpt #: 272 total cpu time spent up to now is 58.0 secs Computing kpt #: 273 total cpu time spent up to now is 58.2 secs Computing kpt #: 274 total cpu time spent up to now is 58.4 secs Computing kpt #: 275 total cpu time spent up to now is 58.6 secs Computing kpt #: 276 total cpu time spent up to now is 58.8 secs Computing kpt #: 277 total cpu time spent up to now is 59.1 secs Computing kpt #: 278 total cpu time spent up to now is 59.3 secs Computing kpt #: 279 total cpu time spent up to now is 59.5 secs Computing kpt #: 280 total cpu time spent up to now is 59.6 secs Computing kpt #: 281 total cpu time spent up to now is 59.8 secs Computing kpt #: 282 total cpu time spent up to now is 60.0 secs Computing kpt #: 283 total cpu time spent up to now is 60.2 secs Computing kpt #: 284 total cpu time spent up to now is 60.4 secs Computing kpt #: 285 total cpu time spent up to now is 60.6 secs Computing kpt #: 286 total cpu time spent up to now is 60.8 secs Computing kpt #: 287 total cpu time spent up to now is 61.0 secs Computing kpt #: 288 total cpu time spent up to now is 61.2 secs Computing kpt #: 289 total cpu time spent up to now is 61.4 secs Computing kpt #: 290 total cpu time spent up to now is 61.6 secs Computing kpt #: 291 total cpu time spent up to now is 61.8 secs Computing kpt #: 292 total cpu time spent up to now is 61.9 secs Computing kpt #: 293 total cpu time spent up to now is 62.1 secs Computing kpt #: 294 total cpu time spent up to now is 62.3 secs Computing kpt #: 295 total cpu time spent up to now is 62.5 secs Computing kpt #: 296 total cpu time spent up to now is 62.7 secs Computing kpt #: 297 total cpu time spent up to now is 62.9 secs Computing kpt #: 298 total cpu time spent up to now is 63.1 secs Computing kpt #: 299 total cpu time spent up to now is 63.3 secs Computing kpt #: 300 total cpu time spent up to now is 63.5 secs Computing kpt #: 301 total cpu time spent up to now is 63.8 secs Computing kpt #: 302 total cpu time spent up to now is 64.1 secs Computing kpt #: 303 total cpu time spent up to now is 64.3 secs Computing kpt #: 304 total cpu time spent up to now is 64.6 secs Computing kpt #: 305 total cpu time spent up to now is 64.8 secs Computing kpt #: 306 total cpu time spent up to now is 65.0 secs Computing kpt #: 307 total cpu time spent up to now is 65.2 secs Computing kpt #: 308 total cpu time spent up to now is 65.4 secs Computing kpt #: 309 total cpu time spent up to now is 65.6 secs Computing kpt #: 310 total cpu time spent up to now is 65.8 secs Computing kpt #: 311 total cpu time spent up to now is 66.0 secs Computing kpt #: 312 total cpu time spent up to now is 66.2 secs Computing kpt #: 313 total cpu time spent up to now is 66.4 secs Computing kpt #: 314 total cpu time spent up to now is 66.6 secs Computing kpt #: 315 total cpu time spent up to now is 66.8 secs Computing kpt #: 316 total cpu time spent up to now is 67.0 secs Computing kpt #: 317 total cpu time spent up to now is 67.2 secs Computing kpt #: 318 total cpu time spent up to now is 67.4 secs Computing kpt #: 319 total cpu time spent up to now is 67.6 secs Computing kpt #: 320 total cpu time spent up to now is 67.8 secs Computing kpt #: 321 total cpu time spent up to now is 67.9 secs Computing kpt #: 322 total cpu time spent up to now is 68.1 secs Computing kpt #: 323 total cpu time spent up to now is 68.3 secs Computing kpt #: 324 total cpu time spent up to now is 68.5 secs Computing kpt #: 325 total cpu time spent up to now is 68.7 secs Computing kpt #: 326 total cpu time spent up to now is 68.8 secs Computing kpt #: 327 total cpu time spent up to now is 69.0 secs Computing kpt #: 328 total cpu time spent up to now is 69.2 secs Computing kpt #: 329 total cpu time spent up to now is 69.4 secs Computing kpt #: 330 total cpu time spent up to now is 69.5 secs Computing kpt #: 331 total cpu time spent up to now is 69.7 secs Computing kpt #: 332 total cpu time spent up to now is 69.9 secs Computing kpt #: 333 total cpu time spent up to now is 70.0 secs Computing kpt #: 334 total cpu time spent up to now is 70.2 secs Computing kpt #: 335 total cpu time spent up to now is 70.4 secs Computing kpt #: 336 total cpu time spent up to now is 70.5 secs Computing kpt #: 337 total cpu time spent up to now is 70.7 secs Computing kpt #: 338 total cpu time spent up to now is 70.9 secs Computing kpt #: 339 total cpu time spent up to now is 71.0 secs Computing kpt #: 340 total cpu time spent up to now is 71.2 secs Computing kpt #: 341 total cpu time spent up to now is 71.4 secs Computing kpt #: 342 total cpu time spent up to now is 71.6 secs Computing kpt #: 343 total cpu time spent up to now is 71.7 secs Computing kpt #: 344 total cpu time spent up to now is 71.9 secs Computing kpt #: 345 total cpu time spent up to now is 72.1 secs Computing kpt #: 346 total cpu time spent up to now is 72.3 secs Computing kpt #: 347 total cpu time spent up to now is 72.4 secs Computing kpt #: 348 total cpu time spent up to now is 72.6 secs Computing kpt #: 349 total cpu time spent up to now is 72.8 secs Computing kpt #: 350 total cpu time spent up to now is 73.0 secs Computing kpt #: 351 total cpu time spent up to now is 73.2 secs Computing kpt #: 352 total cpu time spent up to now is 73.4 secs Computing kpt #: 353 total cpu time spent up to now is 73.5 secs Computing kpt #: 354 total cpu time spent up to now is 73.7 secs Computing kpt #: 355 total cpu time spent up to now is 73.9 secs Computing kpt #: 356 total cpu time spent up to now is 74.1 secs Computing kpt #: 357 total cpu time spent up to now is 74.3 secs Computing kpt #: 358 total cpu time spent up to now is 74.5 secs Computing kpt #: 359 total cpu time spent up to now is 74.7 secs Computing kpt #: 360 total cpu time spent up to now is 74.9 secs Computing kpt #: 361 total cpu time spent up to now is 75.1 secs Computing kpt #: 362 total cpu time spent up to now is 75.3 secs Computing kpt #: 363 total cpu time spent up to now is 75.5 secs Computing kpt #: 364 total cpu time spent up to now is 75.7 secs Computing kpt #: 365 total cpu time spent up to now is 75.9 secs Computing kpt #: 366 total cpu time spent up to now is 76.1 secs Computing kpt #: 367 total cpu time spent up to now is 76.4 secs Computing kpt #: 368 total cpu time spent up to now is 76.6 secs Computing kpt #: 369 total cpu time spent up to now is 76.8 secs Computing kpt #: 370 total cpu time spent up to now is 77.0 secs Computing kpt #: 371 total cpu time spent up to now is 77.2 secs Computing kpt #: 372 total cpu time spent up to now is 77.4 secs Computing kpt #: 373 total cpu time spent up to now is 77.6 secs Computing kpt #: 374 total cpu time spent up to now is 77.8 secs Computing kpt #: 375 total cpu time spent up to now is 78.0 secs Computing kpt #: 376 total cpu time spent up to now is 78.2 secs Computing kpt #: 377 total cpu time spent up to now is 78.4 secs Computing kpt #: 378 total cpu time spent up to now is 78.6 secs Computing kpt #: 379 total cpu time spent up to now is 78.8 secs Computing kpt #: 380 total cpu time spent up to now is 79.0 secs Computing kpt #: 381 total cpu time spent up to now is 79.2 secs Computing kpt #: 382 total cpu time spent up to now is 79.4 secs Computing kpt #: 383 total cpu time spent up to now is 79.6 secs Computing kpt #: 384 total cpu time spent up to now is 79.8 secs Computing kpt #: 385 total cpu time spent up to now is 80.0 secs Computing kpt #: 386 total cpu time spent up to now is 80.2 secs Computing kpt #: 387 total cpu time spent up to now is 80.4 secs Computing kpt #: 388 total cpu time spent up to now is 80.6 secs Computing kpt #: 389 total cpu time spent up to now is 80.8 secs Computing kpt #: 390 total cpu time spent up to now is 81.0 secs Computing kpt #: 391 total cpu time spent up to now is 81.1 secs Computing kpt #: 392 total cpu time spent up to now is 81.3 secs Computing kpt #: 393 total cpu time spent up to now is 81.5 secs Computing kpt #: 394 total cpu time spent up to now is 81.7 secs Computing kpt #: 395 total cpu time spent up to now is 81.9 secs Computing kpt #: 396 total cpu time spent up to now is 82.1 secs Computing kpt #: 397 total cpu time spent up to now is 82.3 secs Computing kpt #: 398 total cpu time spent up to now is 82.5 secs Computing kpt #: 399 total cpu time spent up to now is 82.7 secs Computing kpt #: 400 total cpu time spent up to now is 82.9 secs Computing kpt #: 401 total cpu time spent up to now is 83.1 secs Computing kpt #: 402 total cpu time spent up to now is 83.3 secs Computing kpt #: 403 total cpu time spent up to now is 83.5 secs Computing kpt #: 404 total cpu time spent up to now is 83.7 secs Computing kpt #: 405 total cpu time spent up to now is 83.8 secs Computing kpt #: 406 total cpu time spent up to now is 84.0 secs Computing kpt #: 407 total cpu time spent up to now is 84.2 secs Computing kpt #: 408 total cpu time spent up to now is 84.4 secs Computing kpt #: 409 total cpu time spent up to now is 84.6 secs Computing kpt #: 410 total cpu time spent up to now is 84.8 secs Computing kpt #: 411 total cpu time spent up to now is 85.0 secs Computing kpt #: 412 total cpu time spent up to now is 85.2 secs Computing kpt #: 413 total cpu time spent up to now is 85.4 secs Computing kpt #: 414 total cpu time spent up to now is 85.7 secs Computing kpt #: 415 total cpu time spent up to now is 85.9 secs Computing kpt #: 416 total cpu time spent up to now is 86.1 secs Computing kpt #: 417 total cpu time spent up to now is 86.3 secs Computing kpt #: 418 total cpu time spent up to now is 86.5 secs Computing kpt #: 419 total cpu time spent up to now is 86.7 secs Computing kpt #: 420 total cpu time spent up to now is 86.9 secs Computing kpt #: 421 total cpu time spent up to now is 87.1 secs Computing kpt #: 422 total cpu time spent up to now is 87.3 secs Computing kpt #: 423 total cpu time spent up to now is 87.5 secs Computing kpt #: 424 total cpu time spent up to now is 87.8 secs Computing kpt #: 425 total cpu time spent up to now is 88.0 secs Computing kpt #: 426 total cpu time spent up to now is 88.3 secs Computing kpt #: 427 total cpu time spent up to now is 88.5 secs Computing kpt #: 428 total cpu time spent up to now is 88.7 secs Computing kpt #: 429 total cpu time spent up to now is 88.9 secs Computing kpt #: 430 total cpu time spent up to now is 89.1 secs Computing kpt #: 431 total cpu time spent up to now is 89.3 secs Computing kpt #: 432 total cpu time spent up to now is 89.5 secs Computing kpt #: 433 total cpu time spent up to now is 89.7 secs Computing kpt #: 434 total cpu time spent up to now is 89.9 secs Computing kpt #: 435 total cpu time spent up to now is 90.1 secs Computing kpt #: 436 total cpu time spent up to now is 90.3 secs Computing kpt #: 437 total cpu time spent up to now is 90.4 secs Computing kpt #: 438 total cpu time spent up to now is 90.6 secs Computing kpt #: 439 total cpu time spent up to now is 90.8 secs Computing kpt #: 440 total cpu time spent up to now is 91.0 secs Computing kpt #: 441 total cpu time spent up to now is 91.2 secs Computing kpt #: 442 total cpu time spent up to now is 91.4 secs Computing kpt #: 443 total cpu time spent up to now is 91.6 secs Computing kpt #: 444 total cpu time spent up to now is 91.8 secs Computing kpt #: 445 total cpu time spent up to now is 91.9 secs Computing kpt #: 446 total cpu time spent up to now is 92.1 secs Computing kpt #: 447 total cpu time spent up to now is 92.3 secs Computing kpt #: 448 total cpu time spent up to now is 92.5 secs Computing kpt #: 449 total cpu time spent up to now is 92.7 secs Computing kpt #: 450 total cpu time spent up to now is 92.9 secs Computing kpt #: 451 total cpu time spent up to now is 93.1 secs Computing kpt #: 452 total cpu time spent up to now is 93.2 secs Computing kpt #: 453 total cpu time spent up to now is 93.4 secs Computing kpt #: 454 total cpu time spent up to now is 93.6 secs Computing kpt #: 455 total cpu time spent up to now is 93.8 secs Computing kpt #: 456 total cpu time spent up to now is 93.9 secs Computing kpt #: 457 total cpu time spent up to now is 94.1 secs Computing kpt #: 458 total cpu time spent up to now is 94.3 secs Computing kpt #: 459 total cpu time spent up to now is 94.4 secs Computing kpt #: 460 total cpu time spent up to now is 94.6 secs Computing kpt #: 461 total cpu time spent up to now is 94.8 secs Computing kpt #: 462 total cpu time spent up to now is 95.0 secs Computing kpt #: 463 total cpu time spent up to now is 95.1 secs Computing kpt #: 464 total cpu time spent up to now is 95.3 secs Computing kpt #: 465 total cpu time spent up to now is 95.5 secs Computing kpt #: 466 total cpu time spent up to now is 95.6 secs Computing kpt #: 467 total cpu time spent up to now is 95.8 secs Computing kpt #: 468 total cpu time spent up to now is 96.0 secs Computing kpt #: 469 total cpu time spent up to now is 96.1 secs Computing kpt #: 470 total cpu time spent up to now is 96.3 secs Computing kpt #: 471 total cpu time spent up to now is 96.5 secs Computing kpt #: 472 total cpu time spent up to now is 96.6 secs Computing kpt #: 473 total cpu time spent up to now is 96.8 secs Computing kpt #: 474 total cpu time spent up to now is 97.0 secs Computing kpt #: 475 total cpu time spent up to now is 97.2 secs Computing kpt #: 476 total cpu time spent up to now is 97.3 secs Computing kpt #: 477 total cpu time spent up to now is 97.5 secs Computing kpt #: 478 total cpu time spent up to now is 97.7 secs Computing kpt #: 479 total cpu time spent up to now is 97.9 secs Computing kpt #: 480 total cpu time spent up to now is 98.2 secs ethr = 4.55E-08, avg # of iterations = 15.1 total cpu time spent up to now is 98.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2525 PWs) bands (ev): -51.8634 -51.8634 -24.5825 -24.5825 -21.5349 -21.5349 -21.3561 -21.3561 6.9272 6.9272 13.5020 13.5020 15.0466 15.0466 15.6458 15.6458 15.7394 15.7394 17.5952 17.5952 22.4048 22.4048 23.0742 23.0742 24.7412 24.7412 24.8775 24.8775 25.0771 25.0771 k = 0.0000 0.0000 0.0122 ( 2525 PWs) bands (ev): -51.8633 -51.8633 -24.5826 -24.5826 -21.5349 -21.5349 -21.3562 -21.3562 6.9288 6.9288 13.5031 13.5031 15.0474 15.0474 15.6441 15.6441 15.7377 15.7377 17.5926 17.5926 22.4060 22.4060 23.0770 23.0770 24.6887 24.6887 24.9095 24.9095 25.0979 25.0979 k = 0.0000 0.0000 0.0245 ( 2521 PWs) bands (ev): -51.8633 -51.8633 -24.5827 -24.5827 -21.5350 -21.5350 -21.3564 -21.3564 6.9339 6.9339 13.5066 13.5066 15.0496 15.0496 15.6391 15.6391 15.7328 15.7328 17.5849 17.5849 22.4096 22.4096 23.0853 23.0853 24.5932 24.5932 24.9432 24.9432 25.1604 25.1604 k = 0.0000 0.0000 0.0367 ( 2525 PWs) bands (ev): -51.8633 -51.8633 -24.5829 -24.5829 -21.5351 -21.5351 -21.3568 -21.3568 6.9423 6.9423 13.5123 13.5123 15.0534 15.0534 15.6303 15.6303 15.7251 15.7251 17.5722 17.5722 22.4156 22.4156 23.0989 23.0989 24.4891 24.4891 24.9583 24.9583 25.2506 25.2506 k = 0.0000 0.0000 0.0489 ( 2525 PWs) bands (ev): -51.8632 -51.8632 -24.5831 -24.5831 -21.5353 -21.5353 -21.3574 -21.3574 6.9540 6.9540 13.5203 13.5203 15.0586 15.0586 15.6173 15.6173 15.7153 15.7153 17.5543 17.5543 22.4238 22.4238 23.1178 23.1178 24.3830 24.3830 24.9643 24.9643 25.3521 25.3521 k = 0.0000 0.0000 0.0612 ( 2525 PWs) bands (ev): -51.8631 -51.8631 -24.5834 -24.5834 -21.5355 -21.5355 -21.3582 -21.3582 6.9691 6.9691 13.5306 13.5306 15.0654 15.0654 15.5995 15.5995 15.7042 15.7042 17.5314 17.5314 22.4341 22.4341 23.1418 23.1418 24.2776 24.2776 24.9663 24.9663 25.4571 25.4571 k = 0.0000 0.0000 0.0734 ( 2525 PWs) bands (ev): -51.8629 -51.8629 -24.5838 -24.5838 -21.5358 -21.5358 -21.3591 -21.3591 6.9875 6.9875 13.5431 13.5431 15.0737 15.0737 15.5764 15.5764 15.6923 15.6923 17.5034 17.5034 22.4462 22.4462 23.1705 23.1705 24.1739 24.1739 24.9662 24.9662 25.5623 25.5623 k = 0.0000 0.0000 0.0856 ( 2533 PWs) bands (ev): -51.8628 -51.8628 -24.5844 -24.5844 -21.5361 -21.5361 -21.3602 -21.3602 7.0092 7.0092 13.5578 13.5578 15.0834 15.0834 15.5480 15.5480 15.6801 15.6801 17.4705 17.4705 22.4598 22.4598 23.2037 23.2037 24.0729 24.0729 24.9647 24.9647 25.6658 25.6658 k = 0.0000 0.0000 0.0979 ( 2533 PWs) bands (ev): -51.8626 -51.8626 -24.5849 -24.5849 -21.5365 -21.5365 -21.3614 -21.3614 7.0342 7.0342 13.5748 13.5748 15.0946 15.0946 15.5143 15.5143 15.6678 15.6678 17.4326 17.4326 22.4747 22.4747 23.2409 23.2409 23.9750 23.9750 24.9621 24.9621 25.7666 25.7666 k = 0.0000 0.0000 0.1101 ( 2529 PWs) bands (ev): -51.8624 -51.8624 -24.5855 -24.5855 -21.5369 -21.5369 -21.3628 -21.3628 7.0625 7.0625 13.5939 13.5939 15.1071 15.1071 15.4759 15.4759 15.6554 15.6554 17.3899 17.3899 22.4905 22.4905 23.2818 23.2818 23.8809 23.8809 24.9582 24.9582 25.8637 25.8637 k = 0.0000 0.0000 0.1224 ( 2533 PWs) bands (ev): -51.8622 -51.8622 -24.5862 -24.5862 -21.5374 -21.5374 -21.3643 -21.3643 7.0940 7.0940 13.6152 13.6152 15.1210 15.1210 15.4332 15.4332 15.6428 15.6428 17.3425 17.3425 22.5067 22.5067 23.3259 23.3259 23.7910 23.7910 24.9531 24.9531 25.9564 25.9564 k = 0.0000 0.0000 0.1346 ( 2533 PWs) bands (ev): -51.8620 -51.8620 -24.5869 -24.5869 -21.5379 -21.5379 -21.3660 -21.3660 7.1287 7.1287 13.6386 13.6386 15.1360 15.1360 15.3867 15.3867 15.6299 15.6299 17.2905 17.2905 22.5230 22.5230 23.3724 23.3724 23.7057 23.7057 24.9466 24.9466 26.0440 26.0440 k = 0.0000 0.0000 0.1468 ( 2537 PWs) bands (ev): -51.8617 -51.8617 -24.5877 -24.5877 -21.5384 -21.5384 -21.3679 -21.3679 7.1667 7.1667 13.6641 13.6641 15.1516 15.1516 15.3375 15.3375 15.6169 15.6169 17.2340 17.2340 22.5386 22.5386 23.4203 23.4203 23.6262 23.6262 24.9385 24.9385 26.1258 26.1258 k = 0.0000 0.0000 0.1591 ( 2534 PWs) bands (ev): -51.8615 -51.8615 -24.5886 -24.5886 -21.5390 -21.5390 -21.3698 -21.3698 7.2078 7.2078 13.6916 13.6916 15.1660 15.1660 15.2876 15.2876 15.6036 15.6036 17.1732 17.1732 22.5532 22.5532 23.4644 23.4644 23.5573 23.5573 24.9287 24.9287 26.2013 26.2013 k = 0.0000 0.0000 0.1713 ( 2538 PWs) bands (ev): -51.8612 -51.8612 -24.5895 -24.5895 -21.5397 -21.5397 -21.3720 -21.3720 7.2521 7.2521 13.7211 13.7211 15.1707 15.1707 15.2460 15.2460 15.5902 15.5902 17.1082 17.1082 22.5661 22.5661 23.4580 23.4580 23.5454 23.5454 24.9169 24.9169 26.2697 26.2697 k = 0.0000 0.0000 0.1835 ( 2536 PWs) bands (ev): -51.8609 -51.8609 -24.5905 -24.5905 -21.5403 -21.5403 -21.3742 -21.3742 7.2994 7.2994 13.7524 13.7524 15.1411 15.1411 15.2374 15.2374 15.5768 15.5768 17.0395 17.0395 22.5767 22.5767 23.3998 23.3998 23.5914 23.5914 24.9030 24.9030 26.3305 26.3305 k = 0.0000 0.0000 0.1958 ( 2532 PWs) bands (ev): -51.8605 -51.8605 -24.5916 -24.5916 -21.5410 -21.5410 -21.3765 -21.3765 7.3498 7.3498 13.7856 13.7856 15.0868 15.0868 15.2528 15.2528 15.5636 15.5636 16.9670 16.9670 22.5843 22.5843 23.3402 23.3402 23.6447 23.6447 24.8866 24.8866 26.3830 26.3830 k = 0.0000 0.0000 0.2080 ( 2532 PWs) bands (ev): -51.8602 -51.8602 -24.5927 -24.5927 -21.5418 -21.5418 -21.3790 -21.3790 7.4032 7.4032 13.8205 13.8205 15.0251 15.0251 15.2746 15.2746 15.5505 15.5505 16.8912 16.8912 22.5883 22.5883 23.2844 23.2844 23.6995 23.6995 24.8676 24.8676 26.4265 26.4265 k = 0.0000 0.0000 0.2202 ( 2534 PWs) bands (ev): -51.8598 -51.8598 -24.5938 -24.5938 -21.5425 -21.5425 -21.3816 -21.3816 7.4596 7.4596 13.8570 13.8570 14.9603 14.9603 15.2992 15.2992 15.5380 15.5380 16.8124 16.8124 22.5880 22.5880 23.2333 23.2333 23.7547 23.7547 24.8456 24.8456 26.4603 26.4603 k = 0.0000 0.0000 0.2325 ( 2534 PWs) bands (ev): -51.8595 -51.8595 -24.5950 -24.5950 -21.5434 -21.5434 -21.3843 -21.3843 7.5189 7.5189 13.8951 13.8951 14.8933 14.8933 15.3253 15.3253 15.5264 15.5264 16.7309 16.7309 22.5830 22.5830 23.1870 23.1870 23.8097 23.8097 24.8206 24.8206 26.4835 26.4835 k = 0.0000 0.0000 0.2447 ( 2518 PWs) bands (ev): -51.8591 -51.8591 -24.5962 -24.5962 -21.5441 -21.5441 -21.3871 -21.3871 7.5810 7.5810 13.9345 13.9345 14.8249 14.8249 15.3522 15.3522 15.5163 15.5163 16.6470 16.6470 22.5726 22.5726 23.1455 23.1455 23.8641 23.8641 24.7922 24.7922 26.4952 26.4952 k = 0.0000 0.0000 0.2569 ( 2512 PWs) bands (ev): -51.8587 -51.8587 -24.5975 -24.5975 -21.5450 -21.5450 -21.3900 -21.3900 7.6460 7.6460 13.9751 13.9751 14.7553 14.7553 15.3784 15.3784 15.5088 15.5088 16.5611 16.5611 22.5564 22.5564 23.1088 23.1088 23.9175 23.9175 24.7603 24.7603 26.4954 26.4954 k = 0.0000 0.0000 0.2692 ( 2516 PWs) bands (ev): -51.8582 -51.8582 -24.5988 -24.5988 -21.5459 -21.5459 -21.3930 -21.3930 7.7137 7.7137 14.0166 14.0166 14.6850 14.6850 15.4016 15.4016 15.5066 15.5066 16.4738 16.4738 22.5340 22.5340 23.0766 23.0766 23.9696 23.9696 24.7246 24.7246 26.4856 26.4856 k = 0.0000 0.0000 0.2814 ( 2516 PWs) bands (ev): -51.8578 -51.8578 -24.6002 -24.6002 -21.5468 -21.5468 -21.3961 -21.3961 7.7841 7.7841 14.0588 14.0588 14.6143 14.6143 15.4173 15.4173 15.5141 15.5141 16.3855 16.3855 22.5052 22.5052 23.0491 23.0491 24.0204 24.0204 24.6850 24.6850 26.4674 26.4674 k = 0.0000 0.0000 0.2936 ( 2522 PWs) bands (ev): -51.8574 -51.8574 -24.6017 -24.6017 -21.5478 -21.5478 -21.3994 -21.3994 7.8571 7.8571 14.1012 14.1012 14.5436 14.5436 15.4228 15.4228 15.5338 15.5338 16.2967 16.2967 22.4697 22.4697 23.0259 23.0259 24.0694 24.0694 24.6414 24.6414 26.4397 26.4397 k = 0.0000 0.0000 0.3059 ( 2524 PWs) bands (ev): -51.8569 -51.8569 -24.6032 -24.6032 -21.5488 -21.5488 -21.4026 -21.4026 7.9327 7.9327 14.1429 14.1429 14.4737 14.4737 15.4211 15.4211 15.5629 15.5629 16.2081 16.2081 22.4277 22.4277 23.0071 23.0071 24.1166 24.1166 24.5937 24.5937 26.4002 26.4002 k = 0.0000 0.0000 0.3181 ( 2524 PWs) bands (ev): -51.8564 -51.8564 -24.6046 -24.6046 -21.5498 -21.5498 -21.4059 -21.4059 8.0107 8.0107 14.1821 14.1821 14.4063 14.4063 15.4160 15.4160 15.5972 15.5972 16.1207 16.1207 22.3790 22.3790 22.9925 22.9925 24.1618 24.1618 24.5418 24.5418 26.3475 26.3475 k = 0.0000 0.0000 0.3304 ( 2524 PWs) bands (ev): -51.8560 -51.8560 -24.6062 -24.6062 -21.5508 -21.5508 -21.4093 -21.4093 8.0911 8.0911 14.2118 14.2118 14.3481 14.3481 15.4096 15.4096 15.6342 15.6342 16.0356 16.0356 22.3239 22.3239 22.9821 22.9821 24.2046 24.2046 24.4859 24.4859 26.2816 26.2816 k = 0.0000 0.0000 0.3426 ( 2526 PWs) bands (ev): -51.8555 -51.8555 -24.6077 -24.6077 -21.5518 -21.5518 -21.4127 -21.4127 8.1739 8.1739 14.2063 14.2063 14.3243 14.3243 15.4027 15.4027 15.6714 15.6714 15.9552 15.9552 22.2626 22.2626 22.9756 22.9756 24.2444 24.2444 24.4267 24.4267 26.2029 26.2029 k = 0.0000 0.0000 0.3548 ( 2522 PWs) bands (ev): -51.8550 -51.8550 -24.6093 -24.6093 -21.5528 -21.5528 -21.4162 -21.4162 8.2588 8.2588 14.1561 14.1561 14.3440 14.3440 15.3959 15.3959 15.7034 15.7034 15.8855 15.8855 22.1955 22.1955 22.9731 22.9731 24.2774 24.2774 24.3678 24.3678 26.1121 26.1121 k = 0.0000 0.0000 0.3671 ( 2522 PWs) bands (ev): -51.8545 -51.8545 -24.6109 -24.6109 -21.5539 -21.5539 -21.4197 -21.4197 8.3459 8.3459 14.0917 14.0917 14.3760 14.3760 15.3889 15.3889 15.7112 15.7112 15.8465 15.8465 22.1230 22.1230 22.9743 22.9743 24.2695 24.2695 24.3434 24.3434 26.0100 26.0100 k = 0.0000 0.0000 0.3793 ( 2526 PWs) bands (ev): -51.8540 -51.8540 -24.6125 -24.6125 -21.5550 -21.5550 -21.4232 -21.4232 8.4350 8.4350 14.0240 14.0240 14.4083 14.4083 15.3818 15.3818 15.6754 15.6754 15.8593 15.8593 22.0456 22.0456 22.9791 22.9791 24.2056 24.2056 24.3686 24.3686 25.8974 25.8974 k = 0.0000 0.0000 0.3915 ( 2526 PWs) bands (ev): -51.8535 -51.8535 -24.6141 -24.6141 -21.5560 -21.5560 -21.4268 -21.4268 8.5260 8.5260 13.9556 13.9556 14.4371 14.4371 15.3738 15.3738 15.6235 15.6235 15.8985 15.8985 21.9636 21.9636 22.9874 22.9874 24.1295 24.1295 24.3998 24.3998 25.7753 25.7753 k = 0.0000 0.0000 0.4038 ( 2530 PWs) bands (ev): -51.8530 -51.8530 -24.6158 -24.6158 -21.5571 -21.5571 -21.4304 -21.4304 8.6187 8.6187 13.8873 13.8873 14.4600 14.4600 15.3645 15.3645 15.5754 15.5754 15.9464 15.9464 21.8777 21.8777 22.9990 22.9990 24.0480 24.0480 24.4304 24.4304 25.6448 25.6448 k = 0.0000 0.0000 0.4160 ( 2526 PWs) bands (ev): -51.8525 -51.8525 -24.6174 -24.6174 -21.5582 -21.5582 -21.4340 -21.4340 8.7132 8.7132 13.8197 13.8197 14.4750 14.4750 15.3537 15.3537 15.5377 15.5377 15.9985 15.9985 21.7882 21.7882 23.0138 23.0138 23.9620 23.9620 24.4596 24.4596 25.5070 25.5070 k = 0.0000 0.0000 0.4282 ( 2542 PWs) bands (ev): -51.8519 -51.8519 -24.6191 -24.6191 -21.5593 -21.5593 -21.4376 -21.4376 8.8091 8.8091 13.7528 13.7528 14.4802 14.4802 15.3422 15.3422 15.5128 15.5128 16.0536 16.0536 21.6955 21.6955 23.0317 23.0317 23.8720 23.8720 24.4872 24.4872 25.3630 25.3630 k = 0.0000 0.0000 0.4405 ( 2544 PWs) bands (ev): -51.8514 -51.8514 -24.6208 -24.6208 -21.5604 -21.5604 -21.4412 -21.4412 8.9064 8.9064 13.6869 13.6869 14.4743 14.4743 15.3329 15.3329 15.4996 15.4996 16.1111 16.1111 21.6002 21.6002 23.0525 23.0525 23.7782 23.7782 24.5131 24.5131 25.2138 25.2138 k = 0.0000 0.0000 0.4527 ( 2540 PWs) bands (ev): -51.8509 -51.8509 -24.6224 -24.6224 -21.5615 -21.5615 -21.4447 -21.4447 9.0050 9.0050 13.6220 13.6220 14.4570 14.4570 15.3285 15.3285 15.4960 15.4960 16.1707 16.1707 21.5026 21.5026 23.0762 23.0762 23.6809 23.6809 24.5373 24.5373 25.0605 25.0605 k = 0.0000 0.0000 0.4649 ( 2540 PWs) bands (ev): -51.8504 -51.8504 -24.6240 -24.6240 -21.5625 -21.5625 -21.4483 -21.4483 9.1046 9.1046 13.5583 13.5583 14.4289 14.4289 15.3308 15.3308 15.4998 15.4998 16.2324 16.2324 21.4031 21.4031 23.1025 23.1025 23.5804 23.5804 24.5600 24.5600 24.9041 24.9041 k = 0.0000 0.0000 0.4772 ( 2540 PWs) bands (ev): -51.8499 -51.8499 -24.6256 -24.6256 -21.5636 -21.5636 -21.4518 -21.4518 9.2050 9.2050 13.4959 13.4959 14.3918 14.3918 15.3395 15.3395 15.5097 15.5097 16.2961 16.2961 21.3020 21.3020 23.1312 23.1312 23.4770 23.4770 24.5811 24.5811 24.7456 24.7456 k = 0.0000 0.0000 0.4894 ( 2540 PWs) bands (ev): -51.8494 -51.8494 -24.6273 -24.6273 -21.5646 -21.5646 -21.4553 -21.4553 9.3062 9.3062 13.4349 13.4349 14.3476 14.3476 15.3535 15.3535 15.5247 15.5247 16.3616 16.3616 21.1997 21.1997 23.1617 23.1617 23.3716 23.3716 24.5837 24.5837 24.6028 24.6028 k = 0.0000 0.0000 0.5016 ( 2540 PWs) bands (ev): -51.8489 -51.8489 -24.6289 -24.6289 -21.5657 -21.5657 -21.4588 -21.4588 9.4077 9.4077 13.3752 13.3752 14.2987 14.2987 15.3711 15.3711 15.5444 15.5444 16.4291 16.4291 21.0965 21.0965 23.1889 23.1889 23.2692 23.2692 24.4249 24.4249 24.6195 24.6195 k = 0.0000 0.0000 0.5139 ( 2528 PWs) bands (ev): -51.8484 -51.8484 -24.6304 -24.6304 -21.5666 -21.5666 -21.4621 -21.4621 9.5095 9.5095 13.3170 13.3170 14.2468 14.2468 15.3908 15.3908 15.5682 15.5682 16.4984 16.4984 20.9926 20.9926 23.1383 23.1383 23.2446 23.2446 24.2649 24.2649 24.6365 24.6365 k = 0.0000 0.0000 0.5261 ( 2532 PWs) bands (ev): -51.8479 -51.8479 -24.6320 -24.6320 -21.5677 -21.5677 -21.4655 -21.4655 9.6113 9.6113 13.2603 13.2603 14.1938 14.1938 15.4118 15.4118 15.5954 15.5954 16.5696 16.5696 20.8884 20.8884 23.0284 23.0284 23.2793 23.2793 24.1058 24.1058 24.6523 24.6523 k = 0.0000 0.0000 0.5384 ( 2524 PWs) bands (ev): -51.8474 -51.8474 -24.6335 -24.6335 -21.5686 -21.5686 -21.4688 -21.4688 9.7127 9.7127 13.2051 13.2051 14.1410 14.1410 15.4335 15.4335 15.6251 15.6251 16.6426 16.6426 20.7840 20.7840 22.9129 22.9129 23.3196 23.3196 23.9485 23.9485 24.6669 24.6669 k = 0.0000 0.0000 0.5506 ( 2524 PWs) bands (ev): -51.8469 -51.8469 -24.6350 -24.6350 -21.5696 -21.5696 -21.4720 -21.4720 9.8135 9.8135 13.1516 13.1516 14.0895 14.0895 15.4556 15.4556 15.6563 15.6563 16.7174 16.7174 20.6797 20.6797 22.7949 22.7949 23.3624 23.3624 23.7939 23.7939 24.6805 24.6805 k = 0.0000 0.0000 0.5628 ( 2524 PWs) bands (ev): -51.8465 -51.8465 -24.6365 -24.6365 -21.5706 -21.5706 -21.4752 -21.4752 9.9134 9.9134 13.0997 13.0997 14.0403 14.0403 15.4782 15.4782 15.6881 15.6881 16.7940 16.7940 20.5758 20.5758 22.6750 22.6750 23.4056 23.4056 23.6443 23.6443 24.6930 24.6930 k = 0.0000 0.0000 0.5751 ( 2520 PWs) bands (ev): -51.8460 -51.8460 -24.6379 -24.6379 -21.5715 -21.5715 -21.4783 -21.4783 10.0119 10.0119 13.0496 13.0496 13.9942 13.9942 15.5013 15.5013 15.7194 15.7194 16.8724 16.8724 20.4725 20.4725 22.5533 22.5533 23.4308 23.4308 23.5185 23.5185 24.7046 24.7046 k = 0.0000 0.0000 0.5873 ( 2516 PWs) bands (ev): -51.8456 -51.8456 -24.6393 -24.6393 -21.5724 -21.5724 -21.4813 -21.4813 10.1088 10.1088 13.0011 13.0011 13.9518 13.9518 15.5250 15.5250 15.7494 15.7494 16.9526 16.9526 20.3700 20.3700 22.4303 22.4303 23.3307 23.3307 23.5241 23.5241 24.7153 24.7153 k = 0.0000 0.0000 0.5995 ( 2524 PWs) bands (ev): -51.8451 -51.8451 -24.6408 -24.6408 -21.5733 -21.5733 -21.4843 -21.4843 10.2036 10.2036 12.9544 12.9544 13.9140 13.9140 15.5492 15.5492 15.7774 15.7774 17.0346 17.0346 20.2686 20.2686 22.3061 22.3061 23.1937 23.1937 23.5733 23.5733 24.7251 24.7251 k = 0.0000 0.0000 0.6118 ( 2524 PWs) bands (ev): -51.8447 -51.8447 -24.6421 -24.6421 -21.5741 -21.5741 -21.4872 -21.4872 10.2959 10.2959 12.9096 12.9096 13.8812 13.8812 15.5740 15.5740 15.8027 15.8027 17.1183 17.1183 20.1683 20.1683 22.1809 22.1809 23.0580 23.0580 23.6284 23.6284 24.7342 24.7342 k = 0.0000 0.0000 0.6240 ( 2532 PWs) bands (ev): -51.8443 -51.8443 -24.6434 -24.6434 -21.5750 -21.5750 -21.4900 -21.4900 10.3853 10.3853 12.8665 12.8665 13.8539 13.8539 15.5993 15.5993 15.8249 15.8249 17.2037 17.2037 20.0695 20.0695 22.0548 22.0548 22.9265 22.9265 23.6866 23.6866 24.7425 24.7425 k = 0.0000 0.0000 0.6362 ( 2530 PWs) bands (ev): -51.8439 -51.8439 -24.6447 -24.6447 -21.5758 -21.5758 -21.4926 -21.4926 10.4713 10.4713 12.8253 12.8253 13.8327 13.8327 15.6247 15.6247 15.8434 15.8434 17.2909 17.2909 19.9724 19.9724 21.9280 21.9280 22.8002 22.8002 23.7476 23.7476 24.7502 24.7502 k = 0.0000 0.0000 0.6485 ( 2530 PWs) bands (ev): -51.8435 -51.8435 -24.6459 -24.6459 -21.5766 -21.5766 -21.4952 -21.4952 10.5535 10.5535 12.7860 12.7860 13.8180 13.8180 15.6501 15.6501 15.8582 15.8582 17.3797 17.3797 19.8772 19.8772 21.8007 21.8007 22.6795 22.6795 23.8111 23.8111 24.7573 24.7573 k = 0.0000 0.0000 0.6607 ( 2522 PWs) bands (ev): -51.8431 -51.8431 -24.6470 -24.6470 -21.5773 -21.5773 -21.4976 -21.4976 10.6315 10.6315 12.7485 12.7485 13.8102 13.8102 15.6748 15.6748 15.8691 15.8691 17.4702 17.4702 19.7841 19.7841 21.6730 21.6730 22.5649 22.5649 23.8771 23.8771 24.7638 24.7638 k = 0.0000 0.0000 0.6729 ( 2518 PWs) bands (ev): -51.8428 -51.8428 -24.6481 -24.6481 -21.5779 -21.5779 -21.5000 -21.5000 10.7048 10.7048 12.7130 12.7130 13.8096 13.8096 15.6980 15.6980 15.8767 15.8767 17.5623 17.5623 19.6934 19.6934 21.5450 21.5450 22.4567 22.4567 23.9455 23.9455 24.7697 24.7697 k = 0.0000 0.0000 0.6852 ( 2518 PWs) bands (ev): -51.8425 -51.8425 -24.6492 -24.6492 -21.5786 -21.5786 -21.5022 -21.5022 10.7732 10.7732 12.6794 12.6794 13.8164 13.8164 15.7182 15.7182 15.8820 15.8820 17.6561 17.6561 19.6053 19.6053 21.4168 21.4168 22.3550 22.3550 24.0162 24.0162 24.7752 24.7752 k = 0.0000 0.0000 0.6974 ( 2506 PWs) bands (ev): -51.8421 -51.8421 -24.6501 -24.6501 -21.5792 -21.5792 -21.5043 -21.5043 10.8365 10.8365 12.6478 12.6478 13.8308 13.8308 15.7328 15.7328 15.8871 15.8871 17.7514 17.7514 19.5201 19.5201 21.2887 21.2887 22.2601 22.2601 24.0891 24.0891 24.7803 24.7803 k = 0.0000 0.0000 0.7096 ( 2506 PWs) bands (ev): -51.8418 -51.8418 -24.6511 -24.6511 -21.5798 -21.5798 -21.5063 -21.5063 10.8943 10.8943 12.6182 12.6182 13.8526 13.8526 15.7389 15.7389 15.8949 15.8949 17.8481 17.8481 19.4382 19.4382 21.1607 21.1607 22.1722 22.1722 24.1640 24.1640 24.7851 24.7851 k = 0.0000 0.0000 0.7219 ( 2506 PWs) bands (ev): -51.8416 -51.8416 -24.6520 -24.6520 -21.5804 -21.5804 -21.5081 -21.5081 10.9466 10.9466 12.5905 12.5905 13.8819 13.8819 15.7339 15.7339 15.9074 15.9074 17.9463 17.9463 19.3598 19.3598 21.0329 21.0329 22.0912 22.0912 24.2407 24.2407 24.7896 24.7896 k = 0.0000 0.0000 0.7341 ( 2506 PWs) bands (ev): -51.8413 -51.8413 -24.6528 -24.6528 -21.5809 -21.5809 -21.5099 -21.5099 10.9935 10.9935 12.5649 12.5649 13.9182 13.9182 15.7176 15.7176 15.9249 15.9249 18.0459 18.0459 19.2852 19.2852 20.9055 20.9055 22.0171 22.0171 24.3190 24.3190 24.7939 24.7939 k = 0.0000 0.0000 0.7464 ( 2504 PWs) bands (ev): -51.8411 -51.8411 -24.6536 -24.6536 -21.5814 -21.5814 -21.5115 -21.5115 11.0350 11.0350 12.5412 12.5412 13.9612 13.9612 15.6915 15.6915 15.9458 15.9458 18.1466 18.1466 19.2150 19.2150 20.7786 20.7786 21.9500 21.9500 24.3983 24.3983 24.7982 24.7982 k = 0.0000 0.0000 0.7586 ( 2504 PWs) bands (ev): -51.8408 -51.8408 -24.6543 -24.6543 -21.5818 -21.5818 -21.5130 -21.5130 11.0713 11.0713 12.5196 12.5196 14.0101 14.0101 15.6573 15.6573 15.9685 15.9685 18.2484 18.2484 19.1494 19.1494 20.6523 20.6523 21.8897 21.8897 24.4781 24.4781 24.8028 24.8028 k = 0.0000 0.0000 0.7708 ( 2506 PWs) bands (ev): -51.8406 -51.8406 -24.6549 -24.6549 -21.5822 -21.5822 -21.5143 -21.5143 11.1028 11.1028 12.5000 12.5000 14.0643 14.0643 15.6163 15.6163 15.9917 15.9917 18.3508 18.3508 19.0892 19.0892 20.5269 20.5269 21.8361 21.8361 24.5571 24.5571 24.8083 24.8083 k = 0.0000 0.0000 0.7831 ( 2502 PWs) bands (ev): -51.8405 -51.8405 -24.6555 -24.6555 -21.5826 -21.5826 -21.5155 -21.5155 11.1296 11.1296 12.4824 12.4824 14.1227 14.1227 15.5701 15.5701 16.0144 16.0144 18.4534 18.4534 19.0351 19.0351 20.4024 20.4024 21.7889 21.7889 24.6332 24.6332 24.8162 24.8162 k = 0.0000 0.0000 0.7953 ( 2502 PWs) bands (ev): -51.8403 -51.8403 -24.6560 -24.6560 -21.5829 -21.5829 -21.5166 -21.5166 11.1522 11.1522 12.4669 12.4669 14.1841 14.1841 15.5197 15.5197 16.0360 16.0360 18.5549 18.5549 18.9884 18.9884 20.2791 20.2791 21.7479 21.7479 24.7012 24.7012 24.8306 24.8306 k = 0.0000 0.0000 0.8075 ( 2504 PWs) bands (ev): -51.8402 -51.8402 -24.6565 -24.6565 -21.5832 -21.5832 -21.5176 -21.5176 11.1710 11.1710 12.4534 12.4534 14.2471 14.2471 15.4666 15.4666 16.0559 16.0559 18.6524 18.6524 18.9523 18.9523 20.1575 20.1575 21.7131 21.7131 24.7500 24.7500 24.8615 24.8615 k = 0.0000 0.0000 0.8198 ( 2504 PWs) bands (ev): -51.8400 -51.8400 -24.6569 -24.6569 -21.5834 -21.5834 -21.5184 -21.5184 11.1862 11.1862 12.4420 12.4420 14.3098 14.3098 15.4126 15.4126 16.0735 16.0735 18.7364 18.7364 18.9360 18.9360 20.0380 20.0380 21.6840 21.6840 24.7740 24.7740 24.9126 24.9126 k = 0.0000 0.0000 0.8320 ( 2504 PWs) bands (ev): -51.8399 -51.8399 -24.6572 -24.6572 -21.5836 -21.5836 -21.5190 -21.5190 11.1981 11.1981 12.4327 12.4327 14.3698 14.3698 15.3599 15.3599 16.0886 16.0886 18.7832 18.7832 18.9627 18.9627 19.9215 19.9215 21.6605 21.6605 24.7845 24.7845 24.9705 24.9705 k = 0.0000 0.0000 0.8442 ( 2508 PWs) bands (ev): -51.8399 -51.8399 -24.6574 -24.6574 -21.5838 -21.5838 -21.5195 -21.5195 11.2072 11.2072 12.4254 12.4254 14.4239 14.4239 15.3116 15.3116 16.1007 16.1007 18.7890 18.7890 19.0348 19.0348 19.8098 19.8098 21.6425 21.6425 24.7896 24.7896 25.0239 25.0239 k = 0.0000 0.0000 0.8565 ( 2508 PWs) bands (ev): -51.8398 -51.8398 -24.6576 -24.6576 -21.5839 -21.5839 -21.5199 -21.5199 11.2134 11.2134 12.4203 12.4203 14.4681 14.4681 15.2716 15.2716 16.1095 16.1095 18.7818 18.7818 19.1201 19.1201 19.7073 19.7073 21.6298 21.6298 24.7923 24.7923 25.0668 25.0668 k = 0.0000 0.0000 0.8687 ( 2508 PWs) bands (ev): -51.8398 -51.8398 -24.6577 -24.6577 -21.5840 -21.5840 -21.5201 -21.5201 11.2171 11.2171 12.4171 12.4171 14.4976 14.4976 15.2448 15.2448 16.1149 16.1149 18.7751 18.7751 19.1945 19.1945 19.6250 19.6250 21.6222 21.6222 24.7938 24.7938 25.0945 25.0945 k = 0.0000 0.0000 0.8809 ( 2508 PWs) bands (ev): -51.8398 -51.8398 -24.6577 -24.6577 -21.5840 -21.5840 -21.5202 -21.5202 11.2183 11.2183 12.4161 12.4161 14.5080 14.5080 15.2352 15.2352 16.1167 16.1167 18.7726 18.7726 19.2272 19.2272 19.5899 19.5899 21.6196 21.6196 24.7942 24.7942 25.1041 25.1041 k = 0.0000 0.0000 0.8809 ( 2508 PWs) bands (ev): -51.8398 -51.8398 -24.6577 -24.6577 -21.5840 -21.5840 -21.5202 -21.5202 11.2183 11.2183 12.4161 12.4161 14.5080 14.5080 15.2352 15.2352 16.1167 16.1167 18.7726 18.7726 19.2272 19.2272 19.5899 19.5899 21.6196 21.6196 24.7942 24.7942 25.1041 25.1041 k =-0.0070 0.0101 0.8809 ( 2508 PWs) bands (ev): -51.8398 -51.8398 -24.6577 -24.6577 -21.5840 -21.5840 -21.5201 -21.5201 11.2198 11.2198 12.4147 12.4147 14.5079 14.5079 15.2358 15.2358 16.1173 16.1173 18.7721 18.7721 19.2149 19.2149 19.5896 19.5896 21.6275 21.6275 24.7954 24.7954 25.1089 25.1089 k =-0.0140 0.0203 0.8809 ( 2512 PWs) bands (ev): -51.8398 -51.8398 -24.6577 -24.6577 -21.5840 -21.5840 -21.5199 -21.5199 11.2242 11.2242 12.4104 12.4104 14.5076 14.5076 15.2376 15.2376 16.1189 16.1189 18.7703 18.7703 19.1789 19.1789 19.5890 19.5890 21.6504 21.6504 24.7989 24.7989 25.1235 25.1235 k =-0.0210 0.0304 0.8809 ( 2508 PWs) bands (ev): -51.8398 -51.8398 -24.6575 -24.6575 -21.5839 -21.5839 -21.5195 -21.5195 11.2314 11.2314 12.4033 12.4033 14.5071 14.5071 15.2406 15.2406 16.1217 16.1217 18.7662 18.7662 19.1224 19.1224 19.5879 19.5879 21.6864 21.6864 24.8048 24.8048 25.1477 25.1477 k =-0.0280 0.0406 0.8809 ( 2508 PWs) bands (ev): -51.8399 -51.8399 -24.6573 -24.6573 -21.5839 -21.5839 -21.5190 -21.5190 11.2416 11.2416 12.3933 12.3933 14.5064 14.5064 15.2449 15.2449 16.1255 16.1255 18.7571 18.7571 19.0506 19.0506 19.5864 19.5864 21.7325 21.7325 24.8132 24.8132 25.1816 25.1816 k =-0.0349 0.0507 0.8809 ( 2512 PWs) bands (ev): -51.8400 -51.8400 -24.6570 -24.6570 -21.5838 -21.5838 -21.5184 -21.5184 11.2545 11.2545 12.3807 12.3807 14.5055 14.5055 15.2503 15.2503 16.1304 16.1304 18.7362 18.7362 18.9735 18.9735 19.5845 19.5845 21.7857 21.7857 24.8242 24.8242 25.2252 25.2252 k =-0.0419 0.0608 0.8809 ( 2510 PWs) bands (ev): -51.8401 -51.8401 -24.6567 -24.6567 -21.5837 -21.5837 -21.5177 -21.5177 11.2703 11.2703 12.3654 12.3654 14.5044 14.5044 15.2569 15.2569 16.1365 16.1365 18.6885 18.6885 18.9089 18.9089 19.5824 19.5824 21.8429 21.8429 24.8378 24.8378 25.2783 25.2783 k =-0.0489 0.0710 0.8809 ( 2514 PWs) bands (ev): -51.8402 -51.8402 -24.6564 -24.6564 -21.5837 -21.5837 -21.5168 -21.5168 11.2888 11.2888 12.3476 12.3476 14.5030 14.5030 15.2646 15.2646 16.1436 16.1436 18.6022 18.6022 18.8713 18.8713 19.5801 19.5801 21.9015 21.9015 24.8543 24.8543 25.3407 25.3407 k =-0.0559 0.0811 0.8809 ( 2518 PWs) bands (ev): -51.8404 -51.8404 -24.6560 -24.6560 -21.5836 -21.5836 -21.5157 -21.5157 11.3099 11.3099 12.3273 12.3273 14.5014 14.5014 15.2736 15.2736 16.1517 16.1517 18.4861 18.4861 18.8543 18.8543 19.5777 19.5777 21.9590 21.9590 24.8740 24.8740 25.4120 25.4120 k =-0.0629 0.0912 0.8809 ( 2514 PWs) bands (ev): -51.8405 -51.8405 -24.6555 -24.6555 -21.5835 -21.5835 -21.5145 -21.5145 11.3336 11.3336 12.3047 12.3047 14.4996 14.4996 15.2836 15.2836 16.1609 16.1609 18.3531 18.3531 18.8468 18.8468 19.5753 19.5753 22.0139 22.0139 24.8970 24.8970 25.4916 25.4916 k =-0.0699 0.1014 0.8809 ( 2514 PWs) bands (ev): -51.8407 -51.8407 -24.6549 -24.6549 -21.5834 -21.5834 -21.5132 -21.5132 11.3598 11.3598 12.2800 12.2800 14.4976 14.4976 15.2948 15.2948 16.1712 16.1712 18.2104 18.2104 18.8432 18.8432 19.5730 19.5730 22.0648 22.0648 24.9237 24.9237 25.5789 25.5789 k =-0.0769 0.1115 0.8809 ( 2510 PWs) bands (ev): -51.8409 -51.8409 -24.6543 -24.6543 -21.5832 -21.5832 -21.5117 -21.5117 11.3884 11.3884 12.2531 12.2531 14.4953 14.4953 15.3071 15.3071 16.1825 16.1825 18.0616 18.0616 18.8412 18.8412 19.5708 19.5708 22.1109 22.1109 24.9542 24.9542 25.6731 25.6731 k =-0.0839 0.1217 0.8809 ( 2506 PWs) bands (ev): -51.8411 -51.8411 -24.6537 -24.6537 -21.5830 -21.5830 -21.5101 -21.5101 11.4192 11.4192 12.2244 12.2244 14.4927 14.4927 15.3204 15.3204 16.1948 16.1948 17.9089 17.9089 18.8395 18.8395 19.5690 19.5690 22.1515 22.1515 24.9890 24.9890 25.7730 25.7730 k =-0.0909 0.1318 0.8809 ( 2506 PWs) bands (ev): -51.8414 -51.8414 -24.6530 -24.6530 -21.5829 -21.5829 -21.5084 -21.5084 11.4521 11.4521 12.1939 12.1939 14.4899 14.4899 15.3349 15.3349 16.2082 16.2082 17.7540 17.7540 18.8375 18.8375 19.5676 19.5676 22.1865 22.1865 25.0282 25.0282 25.8776 25.8776 k =-0.0978 0.1419 0.8809 ( 2510 PWs) bands (ev): -51.8416 -51.8416 -24.6523 -24.6523 -21.5827 -21.5827 -21.5066 -21.5066 11.4869 11.4869 12.1618 12.1618 14.4868 14.4868 15.3503 15.3503 16.2225 16.2225 17.5981 17.5981 18.8347 18.8347 19.5668 19.5668 22.2158 22.2158 25.0721 25.0721 25.9857 25.9857 k =-0.1048 0.1521 0.8809 ( 2512 PWs) bands (ev): -51.8419 -51.8419 -24.6515 -24.6515 -21.5826 -21.5826 -21.5046 -21.5046 11.5234 11.5234 12.1282 12.1282 14.4834 14.4834 15.3666 15.3666 16.2377 16.2377 17.4421 17.4421 18.8308 18.8308 19.5667 19.5667 22.2394 22.2394 25.1209 25.1209 26.0961 26.0961 k =-0.1118 0.1622 0.8809 ( 2510 PWs) bands (ev): -51.8422 -51.8422 -24.6506 -24.6506 -21.5824 -21.5824 -21.5025 -21.5025 11.5615 11.5615 12.0934 12.0934 14.4797 14.4797 15.3839 15.3839 16.2539 16.2539 17.2870 17.2870 18.8255 18.8255 19.5673 19.5673 22.2576 22.2576 25.1750 25.1750 26.2076 26.2076 k =-0.1188 0.1723 0.8809 ( 2510 PWs) bands (ev): -51.8425 -51.8425 -24.6498 -24.6498 -21.5822 -21.5822 -21.5004 -21.5004 11.6007 11.6007 12.0574 12.0574 14.4757 14.4757 15.4020 15.4020 16.2711 16.2711 17.1336 17.1336 18.8187 18.8187 19.5689 19.5689 22.2707 22.2707 25.2343 25.2343 26.3188 26.3188 k =-0.1188 0.1723 0.8809 ( 2510 PWs) bands (ev): -51.8425 -51.8425 -24.6498 -24.6498 -21.5822 -21.5822 -21.5004 -21.5004 11.6007 11.6007 12.0574 12.0574 14.4757 14.4757 15.4020 15.4020 16.2711 16.2711 17.1336 17.1336 18.8187 18.8187 19.5689 19.5689 22.2707 22.2707 25.2343 25.2343 26.3188 26.3188 k =-0.1237 0.1794 0.8723 ( 2510 PWs) bands (ev): -51.8427 -51.8427 -24.6491 -24.6491 -21.5820 -21.5820 -21.4987 -21.4987 11.6283 11.6283 12.0321 12.0321 14.4686 14.4686 15.4181 15.4181 16.2832 16.2832 17.0279 17.0279 18.8139 18.8139 19.5713 19.5713 22.2778 22.2778 25.2793 25.2793 26.3900 26.3900 k =-0.1286 0.1865 0.8637 ( 2506 PWs) bands (ev): -51.8429 -51.8429 -24.6484 -24.6484 -21.5819 -21.5819 -21.4969 -21.4969 11.6555 11.6555 12.0070 12.0070 14.4531 14.4531 15.4400 15.4400 16.2953 16.2953 16.9247 16.9247 18.8102 18.8102 19.5754 19.5754 22.2844 22.2844 25.3276 25.3276 26.4481 26.4481 k =-0.1335 0.1936 0.8551 ( 2504 PWs) bands (ev): -51.8432 -51.8432 -24.6477 -24.6477 -21.5818 -21.5818 -21.4949 -21.4949 11.6821 11.6821 11.9822 11.9822 14.4299 14.4299 15.4667 15.4667 16.3074 16.3074 16.8249 16.8249 18.8072 18.8072 19.5808 19.5808 22.2906 22.2906 25.3793 25.3793 26.4930 26.4930 k =-0.1384 0.2007 0.8465 ( 2506 PWs) bands (ev): -51.8434 -51.8434 -24.6469 -24.6469 -21.5818 -21.5818 -21.4929 -21.4929 11.7083 11.7083 11.9578 11.9578 14.3999 14.3999 15.4966 15.4966 16.3197 16.3197 16.7296 16.7296 18.8047 18.8047 19.5871 19.5871 22.2965 22.2965 25.4347 25.4347 26.5256 26.5256 k =-0.1432 0.2078 0.8379 ( 2508 PWs) bands (ev): -51.8437 -51.8437 -24.6461 -24.6461 -21.5817 -21.5817 -21.4907 -21.4907 11.7338 11.7338 11.9338 11.9338 14.3638 14.3638 15.5286 15.5286 16.3324 16.3324 16.6396 16.6396 18.8024 18.8024 19.5942 19.5942 22.3025 22.3025 25.4938 25.4938 26.5473 26.5473 k =-0.1481 0.2149 0.8293 ( 2508 PWs) bands (ev): -51.8440 -51.8440 -24.6453 -24.6453 -21.5817 -21.5817 -21.4883 -21.4883 11.7586 11.7586 11.9104 11.9104 14.3226 14.3226 15.5611 15.5611 16.3457 16.3457 16.5558 16.5558 18.7999 18.7999 19.6018 19.6018 22.3088 22.3088 25.5566 25.5566 26.5596 26.5596 k =-0.1530 0.2220 0.8207 ( 2512 PWs) bands (ev): -51.8443 -51.8443 -24.6444 -24.6444 -21.5818 -21.5818 -21.4859 -21.4859 11.7822 11.7822 11.8879 11.8879 14.2768 14.2768 15.5928 15.5928 16.3597 16.3597 16.4792 16.4792 18.7971 18.7971 19.6098 19.6098 22.3157 22.3157 25.6234 25.6234 26.5636 26.5636 k =-0.1579 0.2291 0.8121 ( 2512 PWs) bands (ev): -51.8446 -51.8446 -24.6436 -24.6436 -21.5819 -21.5819 -21.4833 -21.4833 11.8034 11.8034 11.8675 11.8675 14.2271 14.2271 15.6222 15.6222 16.3740 16.3740 16.4111 16.4111 18.7936 18.7936 19.6180 19.6180 22.3235 22.3235 25.6941 25.6941 26.5602 26.5602 k =-0.1628 0.2361 0.8034 ( 2506 PWs) bands (ev): -51.8449 -51.8449 -24.6426 -24.6426 -21.5820 -21.5820 -21.4806 -21.4806 11.8156 11.8156 11.8558 11.8558 14.1742 14.1742 15.6481 15.6481 16.3500 16.3500 16.3913 16.3913 18.7894 18.7894 19.6262 19.6262 22.3327 22.3327 25.7687 25.7687 26.5501 26.5501 k =-0.1677 0.2432 0.7948 ( 2510 PWs) bands (ev): -51.8452 -51.8452 -24.6417 -24.6417 -21.5822 -21.5822 -21.4778 -21.4778 11.8065 11.8065 11.8650 11.8650 14.1184 14.1184 15.6692 15.6692 16.3008 16.3008 16.4078 16.4078 18.7841 18.7841 19.6344 19.6344 22.3437 22.3437 25.8474 25.8474 26.5338 26.5338 k =-0.1726 0.2503 0.7862 ( 2512 PWs) bands (ev): -51.8455 -51.8455 -24.6408 -24.6408 -21.5824 -21.5824 -21.4749 -21.4749 11.7877 11.7877 11.8835 11.8835 14.0603 14.0603 15.6843 15.6843 16.2618 16.2618 16.4257 16.4257 18.7778 18.7778 19.6424 19.6424 22.3567 22.3567 25.9300 25.9300 26.5115 26.5115 k =-0.1775 0.2574 0.7776 ( 2510 PWs) bands (ev): -51.8458 -51.8458 -24.6399 -24.6399 -21.5826 -21.5826 -21.4720 -21.4720 11.7671 11.7671 11.9034 11.9034 14.0003 14.0003 15.6929 15.6929 16.2337 16.2337 16.4448 16.4448 18.7701 18.7701 19.6500 19.6500 22.3722 22.3722 26.0165 26.0165 26.4837 26.4837 k =-0.1823 0.2645 0.7690 ( 2512 PWs) bands (ev): -51.8462 -51.8462 -24.6389 -24.6389 -21.5828 -21.5828 -21.4690 -21.4690 11.7463 11.7463 11.9230 11.9230 13.9388 13.9388 15.6953 15.6953 16.2160 16.2160 16.4652 16.4652 18.7610 18.7610 19.6571 19.6571 22.3906 22.3906 26.1067 26.1067 26.4507 26.4507 k =-0.1872 0.2716 0.7604 ( 2515 PWs) bands (ev): -51.8465 -51.8465 -24.6380 -24.6380 -21.5831 -21.5831 -21.4660 -21.4660 11.7256 11.7256 11.9420 11.9420 13.8763 13.8763 15.6925 15.6925 16.2072 16.2072 16.4867 16.4867 18.7505 18.7505 19.6636 19.6636 22.4122 22.4122 26.1998 26.1998 26.4133 26.4133 k =-0.1921 0.2787 0.7518 ( 2513 PWs) bands (ev): -51.8468 -51.8468 -24.6371 -24.6371 -21.5834 -21.5834 -21.4629 -21.4629 11.7053 11.7053 11.9601 11.9601 13.8132 13.8132 15.6859 15.6859 16.2055 16.2055 16.5095 16.5095 18.7384 18.7384 19.6693 19.6693 22.4374 22.4374 26.2907 26.2907 26.3767 26.3767 k =-0.1970 0.2858 0.7432 ( 2515 PWs) bands (ev): -51.8471 -51.8471 -24.6362 -24.6362 -21.5838 -21.5838 -21.4598 -21.4598 11.6854 11.6854 11.9773 11.9773 13.7499 13.7499 15.6774 15.6774 16.2089 16.2089 16.5334 16.5334 18.7248 18.7248 19.6742 19.6742 22.4664 22.4664 26.3067 26.3067 26.4138 26.4138 k =-0.2019 0.2929 0.7346 ( 2515 PWs) bands (ev): -51.8474 -51.8474 -24.6352 -24.6352 -21.5841 -21.5841 -21.4568 -21.4568 11.6659 11.6659 11.9934 11.9934 13.6868 13.6868 15.6686 15.6686 16.2155 16.2155 16.5584 16.5584 18.7096 18.7096 19.6781 19.6781 22.4996 22.4996 26.2580 26.2580 26.5142 26.5142 k =-0.2068 0.2999 0.7260 ( 2515 PWs) bands (ev): -51.8478 -51.8478 -24.6343 -24.6343 -21.5845 -21.5845 -21.4537 -21.4537 11.6471 11.6471 12.0084 12.0084 13.6243 13.6243 15.6607 15.6607 16.2236 16.2236 16.5844 16.5844 18.6930 18.6930 19.6809 19.6809 22.5371 22.5371 26.2006 26.2006 26.6221 26.6221 k =-0.2117 0.3070 0.7173 ( 2519 PWs) bands (ev): -51.8481 -51.8481 -24.6335 -24.6335 -21.5849 -21.5849 -21.4507 -21.4507 11.6288 11.6288 12.0223 12.0223 13.5628 13.5628 15.6545 15.6545 16.2322 16.2322 16.6114 16.6114 18.6748 18.6748 19.6827 19.6827 22.5791 22.5791 26.1379 26.1379 26.7341 26.7341 k =-0.2166 0.3141 0.7087 ( 2521 PWs) bands (ev): -51.8484 -51.8484 -24.6326 -24.6326 -21.5853 -21.5853 -21.4477 -21.4477 11.6111 11.6111 12.0350 12.0350 13.5025 13.5025 15.6506 15.6506 16.2403 16.2403 16.6393 16.6393 18.6552 18.6552 19.6833 19.6833 22.6256 22.6256 26.0707 26.0707 26.8494 26.8494 k =-0.2214 0.3212 0.7001 ( 2515 PWs) bands (ev): -51.8487 -51.8487 -24.6317 -24.6317 -21.5856 -21.5856 -21.4447 -21.4447 11.5941 11.5941 12.0466 12.0466 13.4439 13.4439 15.6494 15.6494 16.2474 16.2474 16.6680 16.6680 18.6343 18.6343 19.6828 19.6828 22.6769 22.6769 25.9993 25.9993 26.9676 26.9676 k =-0.2263 0.3283 0.6915 ( 2515 PWs) bands (ev): -51.8490 -51.8490 -24.6309 -24.6309 -21.5860 -21.5860 -21.4419 -21.4419 11.5778 11.5778 12.0570 12.0570 13.3872 13.3872 15.6511 15.6511 16.2530 16.2530 16.6974 16.6974 18.6122 18.6122 19.6811 19.6811 22.7328 22.7328 25.9239 25.9239 27.0885 27.0885 k =-0.2312 0.3354 0.6829 ( 2513 PWs) bands (ev): -51.8492 -51.8492 -24.6301 -24.6301 -21.5864 -21.5864 -21.4391 -21.4391 11.5622 11.5622 12.0662 12.0662 13.3328 13.3328 15.6556 15.6556 16.2568 16.2568 16.7273 16.7273 18.5890 18.5890 19.6785 19.6785 22.7933 22.7933 25.8448 25.8448 27.2116 27.2116 k =-0.2361 0.3425 0.6743 ( 2511 PWs) bands (ev): -51.8495 -51.8495 -24.6294 -24.6294 -21.5867 -21.5867 -21.4364 -21.4364 11.5474 11.5474 12.0743 12.0743 13.2807 13.2807 15.6629 15.6629 16.2585 16.2585 16.7576 16.7576 18.5650 18.5650 19.6749 19.6749 22.8583 22.8583 25.7623 25.7623 27.3367 27.3367 k =-0.2410 0.3496 0.6657 ( 2507 PWs) bands (ev): -51.8498 -51.8498 -24.6286 -24.6286 -21.5871 -21.5871 -21.4337 -21.4337 11.5333 11.5333 12.0814 12.0814 13.2314 13.2314 15.6729 15.6729 16.2582 16.2582 16.7881 16.7881 18.5402 18.5402 19.6705 19.6705 22.9276 22.9276 25.6766 25.6766 27.4633 27.4633 k =-0.2459 0.3567 0.6571 ( 2510 PWs) bands (ev): -51.8500 -51.8500 -24.6280 -24.6280 -21.5874 -21.5874 -21.4313 -21.4313 11.5201 11.5201 12.0873 12.0873 13.1850 13.1850 15.6854 15.6854 16.2556 16.2556 16.8187 16.8187 18.5149 18.5149 19.6654 19.6654 23.0012 23.0012 25.5879 25.5879 27.5909 27.5909 k =-0.2508 0.3638 0.6485 ( 2510 PWs) bands (ev): -51.8502 -51.8502 -24.6274 -24.6274 -21.5878 -21.5878 -21.4290 -21.4290 11.5078 11.5078 12.0924 12.0924 13.1416 13.1416 15.7003 15.7003 16.2508 16.2508 16.8491 16.8491 18.4893 18.4893 19.6598 19.6598 23.0786 23.0786 25.4966 25.4966 27.7191 27.7191 k =-0.2556 0.3708 0.6398 ( 2510 PWs) bands (ev): -51.8504 -51.8504 -24.6268 -24.6268 -21.5881 -21.5881 -21.4268 -21.4268 11.4963 11.4963 12.0965 12.0965 13.1014 13.1014 15.7172 15.7172 16.2440 16.2440 16.8791 16.8791 18.4637 18.4637 19.6538 19.6538 23.1598 23.1598 25.4028 25.4028 27.8472 27.8472 k =-0.2605 0.3779 0.6312 ( 2510 PWs) bands (ev): -51.8506 -51.8506 -24.6262 -24.6262 -21.5884 -21.5884 -21.4248 -21.4248 11.4857 11.4857 12.0997 12.0997 13.0645 13.0645 15.7358 15.7358 16.2350 16.2350 16.9083 16.9083 18.4385 18.4385 19.6475 19.6475 23.2443 23.2443 25.3069 25.3069 27.9745 27.9745 k =-0.2654 0.3850 0.6226 ( 2516 PWs) bands (ev): -51.8508 -51.8508 -24.6257 -24.6257 -21.5887 -21.5887 -21.4229 -21.4229 11.4761 11.4761 12.1022 12.1022 13.0310 13.0310 15.7560 15.7560 16.2242 16.2242 16.9365 16.9365 18.4139 18.4139 19.6413 19.6413 23.3319 23.3319 25.2092 25.2092 28.0999 28.0999 k =-0.2703 0.3921 0.6140 ( 2514 PWs) bands (ev): -51.8510 -51.8510 -24.6253 -24.6253 -21.5889 -21.5889 -21.4212 -21.4212 11.4674 11.4674 12.1041 12.1041 13.0010 13.0010 15.7774 15.7774 16.2116 16.2116 16.9633 16.9633 18.3902 18.3902 19.6352 19.6352 23.4222 23.4222 25.1100 25.1100 28.2224 28.2224 k =-0.2752 0.3992 0.6054 ( 2518 PWs) bands (ev): -51.8511 -51.8511 -24.6249 -24.6249 -21.5892 -21.5892 -21.4197 -21.4197 11.4597 11.4597 12.1055 12.1055 12.9745 12.9745 15.7995 15.7995 16.1976 16.1976 16.9883 16.9883 18.3680 18.3680 19.6294 19.6294 23.5147 23.5147 25.0097 25.0097 28.3406 28.3406 k =-0.2801 0.4063 0.5968 ( 2517 PWs) bands (ev): -51.8512 -51.8512 -24.6245 -24.6245 -21.5894 -21.5894 -21.4184 -21.4184 11.4530 11.4530 12.1064 12.1064 12.9515 12.9515 15.8219 15.8219 16.1824 16.1824 17.0112 17.0112 18.3475 18.3475 19.6240 19.6240 23.6090 23.6090 24.9088 24.9088 28.4526 28.4526 k =-0.2850 0.4134 0.5882 ( 2514 PWs) bands (ev): -51.8513 -51.8513 -24.6242 -24.6242 -21.5895 -21.5895 -21.4173 -21.4173 11.4473 11.4473 12.1069 12.1069 12.9321 12.9321 15.8441 15.8441 16.1665 16.1665 17.0315 17.0315 18.3292 18.3292 19.6193 19.6193 23.7044 23.7044 24.8080 24.8080 28.5563 28.5563 k =-0.2899 0.4205 0.5796 ( 2514 PWs) bands (ev): -51.8514 -51.8514 -24.6240 -24.6240 -21.5897 -21.5897 -21.4163 -21.4163 11.4426 11.4426 12.1072 12.1072 12.9162 12.9162 15.8653 15.8653 16.1506 16.1506 17.0488 17.0488 18.3136 18.3136 19.6152 19.6152 23.7997 23.7997 24.7082 24.7082 28.6487 28.6487 k =-0.2947 0.4276 0.5710 ( 2510 PWs) bands (ev): -51.8515 -51.8515 -24.6238 -24.6238 -21.5898 -21.5898 -21.4156 -21.4156 11.4389 11.4389 12.1073 12.1073 12.9039 12.9039 15.8845 15.8845 16.1355 16.1355 17.0627 17.0627 18.3009 18.3009 19.6119 19.6119 23.8933 23.8933 24.6112 24.6112 28.7266 28.7266 k =-0.2996 0.4346 0.5624 ( 2512 PWs) bands (ev): -51.8516 -51.8516 -24.6236 -24.6236 -21.5899 -21.5899 -21.4151 -21.4151 11.4363 11.4363 12.1074 12.1074 12.8951 12.8951 15.9004 15.9004 16.1227 16.1227 17.0730 17.0730 18.2916 18.2916 19.6095 19.6095 23.9809 23.9809 24.5211 24.5211 28.7862 28.7862 k =-0.3045 0.4417 0.5537 ( 2512 PWs) bands (ev): -51.8516 -51.8516 -24.6235 -24.6235 -21.5899 -21.5899 -21.4148 -21.4148 11.4347 11.4347 12.1074 12.1074 12.8899 12.8899 15.9112 15.9112 16.1138 16.1138 17.0792 17.0792 18.2859 18.2859 19.6081 19.6081 24.0525 24.0525 24.4480 24.4480 28.8238 28.8238 k =-0.3094 0.4488 0.5451 ( 2516 PWs) bands (ev): -51.8516 -51.8516 -24.6235 -24.6235 -21.5899 -21.5899 -21.4147 -21.4147 11.4342 11.4342 12.1074 12.1074 12.8881 12.8881 15.9150 15.9150 16.1105 16.1105 17.0814 17.0814 18.2839 18.2839 19.6076 19.6076 24.0835 24.0835 24.4166 24.4166 28.8367 28.8367 k =-0.3094 0.4488 0.5451 ( 2516 PWs) bands (ev): -51.8516 -51.8516 -24.6235 -24.6235 -21.5899 -21.5899 -21.4147 -21.4147 11.4342 11.4342 12.1074 12.1074 12.8881 12.8881 15.9150 15.9150 16.1105 16.1105 17.0814 17.0814 18.2839 18.2839 19.6076 19.6076 24.0835 24.0835 24.4166 24.4166 28.8367 28.8367 k =-0.3045 0.4417 0.5365 ( 2516 PWs) bands (ev): -51.8514 -51.8514 -24.6241 -24.6241 -21.5907 -21.5907 -21.4153 -21.4153 11.4755 11.4755 12.0196 12.0196 12.9501 12.9501 15.8852 15.8852 16.0996 16.0996 17.0594 17.0594 18.3402 18.3402 19.6253 19.6253 24.0495 24.0495 24.5395 24.5395 28.7751 28.7751 k =-0.2996 0.4346 0.5278 ( 2512 PWs) bands (ev): -51.8512 -51.8512 -24.6246 -24.6246 -21.5914 -21.5914 -21.4159 -21.4159 11.5181 11.5181 11.9180 11.9180 13.0252 13.0252 15.8576 15.8576 16.0863 16.0863 17.0367 17.0367 18.3986 18.3986 19.6451 19.6451 24.0218 24.0218 24.6634 24.6634 28.7167 28.7167 k =-0.2947 0.4274 0.5192 ( 2502 PWs) bands (ev): -51.8511 -51.8511 -24.6250 -24.6250 -21.5920 -21.5920 -21.4164 -21.4164 11.5615 11.5615 11.8083 11.8083 13.1081 13.1081 15.8325 15.8325 16.0705 16.0705 17.0133 17.0133 18.4592 18.4592 19.6668 19.6668 24.0005 24.0005 24.7884 24.7884 28.6616 28.6616 k =-0.2898 0.4203 0.5105 ( 2494 PWs) bands (ev): -51.8509 -51.8509 -24.6253 -24.6253 -21.5925 -21.5925 -21.4168 -21.4168 11.6030 11.6030 11.6964 11.6964 13.1956 13.1956 15.8098 15.8098 16.0521 16.0521 16.9892 16.9892 18.5218 18.5218 19.6900 19.6900 23.9858 23.9858 24.9145 24.9145 28.6095 28.6095 k =-0.2848 0.4132 0.5019 ( 2492 PWs) bands (ev): -51.8508 -51.8508 -24.6256 -24.6256 -21.5929 -21.5929 -21.4172 -21.4172 11.5639 11.5639 11.6629 11.6629 13.2859 13.2859 15.7897 15.7897 16.0311 16.0311 16.9643 16.9643 18.5865 18.5865 19.7143 19.7143 23.9777 23.9777 25.0417 25.0417 28.5606 28.5606 k =-0.2799 0.4061 0.4932 ( 2504 PWs) bands (ev): -51.8507 -51.8507 -24.6259 -24.6259 -21.5933 -21.5933 -21.4175 -21.4175 11.4457 11.4457 11.7076 11.7076 13.3777 13.3777 15.7722 15.7722 16.0076 16.0076 16.9388 16.9388 18.6533 18.6533 19.7396 19.7396 23.9763 23.9763 25.1699 25.1699 28.5147 28.5147 k =-0.2750 0.3990 0.4846 ( 2508 PWs) bands (ev): -51.8506 -51.8506 -24.6261 -24.6261 -21.5935 -21.5935 -21.4177 -21.4177 11.3227 11.3227 11.7568 11.7568 13.4701 13.4701 15.7573 15.7573 15.9817 15.9817 16.9127 16.9127 18.7220 18.7220 19.7655 19.7655 23.9815 23.9815 25.2992 25.2992 28.4718 28.4718 k =-0.2701 0.3918 0.4759 ( 2512 PWs) bands (ev): -51.8506 -51.8506 -24.6263 -24.6263 -21.5936 -21.5936 -21.4179 -21.4179 11.1983 11.1983 11.8081 11.8081 13.5625 13.5625 15.7451 15.7451 15.9535 15.9535 16.8860 16.8860 18.7927 18.7927 19.7918 19.7918 23.9933 23.9933 25.4295 25.4295 28.4317 28.4317 k =-0.2652 0.3847 0.4673 ( 2516 PWs) bands (ev): -51.8506 -51.8506 -24.6263 -24.6263 -21.5936 -21.5936 -21.4180 -21.4180 11.0731 11.0731 11.8610 11.8610 13.6542 13.6542 15.7355 15.7355 15.9232 15.9232 16.8588 16.8588 18.8654 18.8654 19.8184 19.8184 24.0117 24.0117 25.5609 25.5609 28.3946 28.3946 k =-0.2603 0.3776 0.4586 ( 2516 PWs) bands (ev): -51.8505 -51.8505 -24.6263 -24.6263 -21.5935 -21.5935 -21.4181 -21.4181 10.9475 10.9475 11.9155 11.9155 13.7447 13.7447 15.7286 15.7286 15.8911 15.8911 16.8310 16.8310 18.9399 18.9399 19.8451 19.8451 24.0364 24.0364 25.6932 25.6932 28.3602 28.3602 k =-0.2554 0.3705 0.4500 ( 2512 PWs) bands (ev): -51.8506 -51.8506 -24.6262 -24.6262 -21.5933 -21.5933 -21.4180 -21.4180 10.8220 10.8220 11.9716 11.9716 13.8335 13.8335 15.7243 15.7243 15.8573 15.8573 16.8027 16.8027 19.0162 19.0162 19.8719 19.8719 24.0674 24.0674 25.8266 25.8266 28.3285 28.3285 k =-0.2505 0.3633 0.4413 ( 2504 PWs) bands (ev): -51.8506 -51.8506 -24.6260 -24.6260 -21.5929 -21.5929 -21.4179 -21.4179 10.6967 10.6967 12.0294 12.0294 13.9201 13.9201 15.7228 15.7228 15.8223 15.8223 16.7740 16.7740 19.0943 19.0943 19.8988 19.8988 24.1045 24.1045 25.9608 25.9608 28.2994 28.2994 k =-0.2456 0.3562 0.4326 ( 2504 PWs) bands (ev): -51.8506 -51.8506 -24.6258 -24.6258 -21.5924 -21.5924 -21.4177 -21.4177 10.5719 10.5719 12.0887 12.0887 14.0040 14.0040 15.7239 15.7239 15.7863 15.7863 16.7450 16.7450 19.1741 19.1741 19.9258 19.9258 24.1472 24.1472 26.0959 26.0959 28.2729 28.2729 k =-0.2406 0.3491 0.4240 ( 2504 PWs) bands (ev): -51.8507 -51.8507 -24.6254 -24.6254 -21.5917 -21.5917 -21.4175 -21.4175 10.4477 10.4477 12.1496 12.1496 14.0846 14.0846 15.7274 15.7274 15.7499 15.7499 16.7155 16.7155 19.2554 19.2554 19.9532 19.9532 24.1953 24.1953 26.2317 26.2317 28.2488 28.2488 k =-0.2357 0.3420 0.4153 ( 2504 PWs) bands (ev): -51.8508 -51.8508 -24.6251 -24.6251 -21.5910 -21.5910 -21.4172 -21.4172 10.3243 10.3243 12.2121 12.2121 14.1613 14.1613 15.7120 15.7120 15.7349 15.7349 16.6858 16.6858 19.3383 19.3383 19.9813 19.9813 24.2485 24.2485 26.3681 26.3681 28.2270 28.2270 k =-0.2308 0.3348 0.4067 ( 2506 PWs) bands (ev): -51.8509 -51.8509 -24.6246 -24.6246 -21.5901 -21.5901 -21.4169 -21.4169 10.2019 10.2019 12.2762 12.2762 14.2335 14.2335 15.6757 15.6757 15.7438 15.7438 16.6558 16.6558 19.4225 19.4225 20.0102 20.0102 24.3063 24.3063 26.5049 26.5049 28.2074 28.2074 k =-0.2259 0.3277 0.3980 ( 2514 PWs) bands (ev): -51.8511 -51.8511 -24.6241 -24.6241 -21.5892 -21.5892 -21.4166 -21.4166 10.0805 10.0805 12.3419 12.3419 14.3006 14.3006 15.6399 15.6399 15.7555 15.7555 16.6256 16.6256 19.5079 19.5079 20.0404 20.0404 24.3683 24.3683 26.6420 26.6420 28.1900 28.1900 k =-0.2210 0.3206 0.3894 ( 2520 PWs) bands (ev): -51.8512 -51.8512 -24.6236 -24.6236 -21.5881 -21.5881 -21.4161 -21.4161 9.9603 9.9603 12.4092 12.4092 14.3616 14.3616 15.6054 15.6054 15.7700 15.7700 16.5953 16.5953 19.5945 19.5945 20.0725 20.0725 24.4340 24.4340 26.7790 26.7790 28.1746 28.1746 k =-0.2161 0.3135 0.3807 ( 2520 PWs) bands (ev): -51.8514 -51.8514 -24.6229 -24.6229 -21.5869 -21.5869 -21.4156 -21.4156 9.8414 9.8414 12.4782 12.4782 14.4160 14.4160 15.5730 15.5730 15.7870 15.7870 16.5649 16.5649 19.6819 19.6819 20.1068 20.1068 24.5028 24.5028 26.9156 26.9156 28.1610 28.1610 k =-0.2112 0.3063 0.3721 ( 2516 PWs) bands (ev): -51.8516 -51.8516 -24.6222 -24.6222 -21.5855 -21.5855 -21.4151 -21.4151 9.7239 9.7239 12.5487 12.5487 14.4628 14.4628 15.5433 15.5433 15.8067 15.8067 16.5344 16.5344 19.7700 19.7700 20.1439 20.1439 24.5743 24.5743 27.0513 27.0513 28.1488 28.1488 k =-0.2063 0.2992 0.3634 ( 2510 PWs) bands (ev): -51.8518 -51.8518 -24.6213 -24.6213 -21.5841 -21.5841 -21.4144 -21.4144 9.6080 9.6080 12.6208 12.6208 14.5013 14.5013 15.5168 15.5168 15.8288 15.8288 16.5040 16.5040 19.8583 19.8583 20.1847 20.1847 24.6480 24.6480 27.1854 27.1854 28.1356 28.1356 k =-0.2014 0.2921 0.3548 ( 2514 PWs) bands (ev): -51.8520 -51.8520 -24.6205 -24.6205 -21.5826 -21.5826 -21.4137 -21.4137 9.4935 9.4935 12.6944 12.6944 14.5309 14.5309 15.4942 15.4942 15.8534 15.8534 16.4736 16.4736 19.9466 19.9466 20.2297 20.2297 24.7233 24.7233 27.3170 27.3170 28.0786 28.0786 k =-0.1964 0.2850 0.3461 ( 2514 PWs) bands (ev): -51.8523 -51.8523 -24.6196 -24.6196 -21.5810 -21.5810 -21.4129 -21.4129 9.3808 9.3808 12.7696 12.7696 14.5512 14.5512 15.4759 15.4759 15.8804 15.8804 16.4433 16.4433 20.0342 20.0342 20.2799 20.2799 24.7997 24.7997 27.4446 27.4446 27.9838 27.9838 k =-0.1915 0.2778 0.3375 ( 2510 PWs) bands (ev): -51.8526 -51.8526 -24.6186 -24.6186 -21.5793 -21.5793 -21.4121 -21.4121 9.2698 9.2698 12.8463 12.8463 14.5619 14.5619 15.4619 15.4619 15.9097 15.9097 16.4132 16.4132 20.1207 20.1207 20.3360 20.3360 24.8767 24.8767 27.5660 27.5660 27.8856 27.8856 k =-0.1866 0.2707 0.3288 ( 2510 PWs) bands (ev): -51.8528 -51.8528 -24.6176 -24.6176 -21.5776 -21.5776 -21.4112 -21.4112 9.1607 9.1607 12.9245 12.9245 14.5634 14.5634 15.4519 15.4519 15.9412 15.9412 16.3835 16.3835 20.2055 20.2055 20.3989 20.3989 24.9538 24.9538 27.6723 27.6723 27.7878 27.7878 k =-0.1817 0.2636 0.3202 ( 2511 PWs) bands (ev): -51.8531 -51.8531 -24.6166 -24.6166 -21.5758 -21.5758 -21.4102 -21.4102 9.0535 9.0535 13.0042 13.0042 14.5564 14.5564 15.4455 15.4455 15.9748 15.9748 16.3541 16.3541 20.2884 20.2884 20.4688 20.4688 25.0304 25.0304 27.6486 27.6486 27.7919 27.7919 k =-0.1768 0.2565 0.3115 ( 2507 PWs) bands (ev): -51.8534 -51.8534 -24.6155 -24.6155 -21.5740 -21.5740 -21.4091 -21.4091 8.9482 8.9482 13.0852 13.0852 14.5416 14.5416 15.4417 15.4417 16.0103 16.0103 16.3253 16.3253 20.3698 20.3698 20.5455 20.5455 25.1062 25.1062 27.5186 27.5186 27.8130 27.8130 k =-0.1719 0.2493 0.3029 ( 2507 PWs) bands (ev): -51.8538 -51.8538 -24.6143 -24.6143 -21.5721 -21.5721 -21.4080 -21.4080 8.8450 8.8450 13.1676 13.1676 14.5201 14.5201 15.4398 15.4398 16.0472 16.0472 16.2975 16.2975 20.4509 20.4509 20.6280 20.6280 25.1807 25.1807 27.3658 27.3658 27.7298 27.7298 k =-0.1670 0.2422 0.2942 ( 2519 PWs) bands (ev): -51.8541 -51.8541 -24.6132 -24.6132 -21.5702 -21.5702 -21.4068 -21.4068 8.7439 8.7439 13.2513 13.2513 14.4932 14.4932 15.4387 15.4387 16.0849 16.0849 16.2713 16.2713 20.5329 20.5329 20.7148 20.7148 25.2533 25.2533 27.1987 27.1987 27.6435 27.6435 k =-0.1621 0.2351 0.2855 ( 2523 PWs) bands (ev): -51.8544 -51.8544 -24.6121 -24.6121 -21.5684 -21.5684 -21.4056 -21.4056 8.6450 8.6450 13.3363 13.3363 14.4618 14.4618 15.4376 15.4376 16.1211 16.1211 16.2490 16.2490 20.6170 20.6170 20.8049 20.8049 25.3238 25.3238 27.0236 27.0236 27.5667 27.5667 k =-0.1572 0.2280 0.2769 ( 2519 PWs) bands (ev): -51.8548 -51.8548 -24.6108 -24.6108 -21.5664 -21.5664 -21.4042 -21.4042 8.5483 8.5483 13.4223 13.4223 14.4268 14.4268 15.4359 15.4359 16.1479 16.1479 16.2384 16.2384 20.7040 20.7040 20.8971 20.8971 25.3917 25.3917 26.8443 26.8443 27.4982 27.4982 k =-0.1522 0.2208 0.2682 ( 2521 PWs) bands (ev): -51.8552 -51.8552 -24.6096 -24.6096 -21.5645 -21.5645 -21.4027 -21.4027 8.4539 8.4539 13.5094 13.5094 14.3893 14.3893 15.4331 15.4331 16.1504 16.1504 16.2543 16.2543 20.7944 20.7944 20.9909 20.9909 25.4566 25.4566 26.6633 26.6633 27.4367 27.4367 k =-0.1473 0.2137 0.2596 ( 2525 PWs) bands (ev): -51.8555 -51.8555 -24.6083 -24.6083 -21.5627 -21.5627 -21.4012 -21.4012 8.3619 8.3619 13.5975 13.5975 14.3497 14.3497 15.4288 15.4288 16.1339 16.1339 16.2915 16.2915 20.8883 20.8883 21.0857 21.0857 25.5180 25.5180 26.4819 26.4819 27.3815 27.3815 k =-0.1424 0.2066 0.2509 ( 2527 PWs) bands (ev): -51.8559 -51.8559 -24.6071 -24.6071 -21.5608 -21.5608 -21.3997 -21.3997 8.2723 8.2723 13.6862 13.6862 14.3089 14.3089 15.4228 15.4228 16.1114 16.1114 16.3367 16.3367 20.9855 20.9855 21.1812 21.1812 25.5754 25.5754 26.3015 26.3015 27.3321 27.3321 k =-0.1375 0.1995 0.2423 ( 2531 PWs) bands (ev): -51.8563 -51.8563 -24.6058 -24.6058 -21.5590 -21.5590 -21.3980 -21.3980 8.1852 8.1852 13.7755 13.7755 14.2674 14.2674 15.4150 15.4150 16.0874 16.0874 16.3856 16.3856 21.0859 21.0859 21.2775 21.2775 25.6277 25.6277 26.1232 26.1232 27.2884 27.2884 k =-0.1326 0.1924 0.2336 ( 2523 PWs) bands (ev): -51.8567 -51.8567 -24.6045 -24.6045 -21.5572 -21.5572 -21.3962 -21.3962 8.1006 8.1006 13.8648 13.8648 14.2260 14.2260 15.4055 15.4055 16.0630 16.0630 16.4368 16.4368 21.1885 21.1885 21.3748 21.3748 25.6714 25.6714 25.9508 25.9508 27.2503 27.2503 k =-0.1277 0.1852 0.2250 ( 2519 PWs) bands (ev): -51.8571 -51.8571 -24.6032 -24.6032 -21.5555 -21.5555 -21.3944 -21.3944 8.0185 8.0185 13.9529 13.9529 14.1862 14.1862 15.3942 15.3942 16.0387 16.0387 16.4898 16.4898 21.2924 21.2924 21.4737 21.4737 25.6802 25.6802 25.8107 25.8107 27.2179 27.2179 k =-0.1228 0.1781 0.2163 ( 2519 PWs) bands (ev): -51.8574 -51.8574 -24.6019 -24.6019 -21.5538 -21.5538 -21.3925 -21.3925 7.9391 7.9391 14.0338 14.0338 14.1541 14.1541 15.3813 15.3813 16.0149 16.0149 16.5441 16.5441 21.3962 21.3962 21.5750 21.5750 25.5623 25.5623 25.7948 25.7948 27.1909 27.1909 k =-0.1179 0.1710 0.2077 ( 2527 PWs) bands (ev): -51.8578 -51.8578 -24.6006 -24.6006 -21.5522 -21.5522 -21.3907 -21.3907 7.8624 7.8624 14.0664 14.0664 14.1708 14.1708 15.3671 15.3671 15.9916 15.9916 16.5996 16.5996 21.4978 21.4978 21.6801 21.6801 25.3983 25.3983 25.8225 25.8225 27.1671 27.1671 k =-0.1130 0.1639 0.1990 ( 2527 PWs) bands (ev): -51.8582 -51.8582 -24.5994 -24.5994 -21.5507 -21.5507 -21.3887 -21.3887 7.7884 7.7884 14.0393 14.0393 14.2478 14.2478 15.3515 15.3515 15.9689 15.9689 16.6559 16.6559 21.5957 21.5957 21.7903 21.7903 25.2311 25.2311 25.8512 25.8512 27.0787 27.0787 k =-0.1080 0.1567 0.1904 ( 2523 PWs) bands (ev): -51.8586 -51.8586 -24.5981 -24.5981 -21.5492 -21.5492 -21.3867 -21.3867 7.7172 7.7172 14.0018 14.0018 14.3358 14.3358 15.3350 15.3350 15.9469 15.9469 16.7129 16.7129 21.6883 21.6883 21.9061 21.9061 25.0653 25.0653 25.8761 25.8761 26.9368 26.9368 k =-0.1031 0.1496 0.1817 ( 2523 PWs) bands (ev): -51.8589 -51.8589 -24.5969 -24.5969 -21.5478 -21.5478 -21.3847 -21.3847 7.6488 7.6488 13.9630 13.9630 14.4257 14.4257 15.3177 15.3177 15.9257 15.9257 16.7703 16.7703 21.7753 21.7753 22.0276 22.0276 24.9024 24.9024 25.8960 25.8960 26.7937 26.7937 k =-0.0982 0.1425 0.1731 ( 2527 PWs) bands (ev): -51.8593 -51.8593 -24.5957 -24.5957 -21.5465 -21.5465 -21.3827 -21.3827 7.5833 7.5833 13.9245 13.9245 14.5157 14.5157 15.2998 15.2998 15.9052 15.9052 16.8280 16.8280 21.8567 21.8567 22.1542 22.1542 24.7429 24.7429 25.9103 25.9103 26.6521 26.6521 k =-0.0933 0.1354 0.1644 ( 2527 PWs) bands (ev): -51.8596 -51.8596 -24.5946 -24.5946 -21.5453 -21.5453 -21.3806 -21.3806 7.5207 7.5207 13.8868 13.8868 14.6052 14.6052 15.2815 15.2815 15.8856 15.8856 16.8857 16.8857 21.9326 21.9326 22.2849 22.2849 24.5876 24.5876 25.9185 25.9185 26.5130 26.5130 k =-0.0884 0.1282 0.1558 ( 2527 PWs) bands (ev): -51.8600 -51.8600 -24.5935 -24.5935 -21.5441 -21.5441 -21.3786 -21.3786 7.4610 7.4610 13.8502 13.8502 14.6936 14.6936 15.2632 15.2632 15.8668 15.8668 16.9431 16.9431 22.0034 22.0034 22.4189 22.4189 24.4368 24.4368 25.9202 25.9202 26.3775 26.3775 k =-0.0835 0.1211 0.1471 ( 2533 PWs) bands (ev): -51.8603 -51.8603 -24.5924 -24.5924 -21.5431 -21.5431 -21.3766 -21.3766 7.4043 7.4043 13.8150 13.8150 14.7806 14.7806 15.2450 15.2450 15.8489 15.8489 17.0000 17.0000 22.0689 22.0689 22.5557 22.5557 24.2910 24.2910 25.9145 25.9145 26.2469 26.2469 k =-0.0786 0.1140 0.1384 ( 2527 PWs) bands (ev): -51.8606 -51.8606 -24.5913 -24.5913 -21.5420 -21.5420 -21.3746 -21.3746 7.3506 7.3506 13.7812 13.7812 14.8655 14.8655 15.2274 15.2274 15.8320 15.8320 17.0562 17.0562 22.1294 22.1294 22.6944 22.6944 24.1509 24.1509 25.8997 25.8997 26.1232 26.1232 k =-0.0737 0.1069 0.1298 ( 2529 PWs) bands (ev): -51.8609 -51.8609 -24.5903 -24.5903 -21.5411 -21.5411 -21.3726 -21.3726 7.3000 7.3000 13.7490 13.7490 14.9476 14.9476 15.2108 15.2108 15.8160 15.8160 17.1112 17.1112 22.1847 22.1847 22.8348 22.8348 24.0169 24.0169 25.8704 25.8704 26.0122 26.0122 k =-0.0688 0.0997 0.1211 ( 2525 PWs) bands (ev): -51.8612 -51.8612 -24.5894 -24.5894 -21.5402 -21.5402 -21.3708 -21.3708 7.2525 7.2525 13.7184 13.7184 15.0253 15.0253 15.1967 15.1967 15.8011 15.8011 17.1649 17.1649 22.2346 22.2346 22.9761 22.9761 23.8896 23.8896 25.8124 25.8124 25.9286 25.9286 k =-0.0638 0.0926 0.1125 ( 2527 PWs) bands (ev): -51.8615 -51.8615 -24.5885 -24.5885 -21.5394 -21.5394 -21.3689 -21.3689 7.2082 7.2082 13.6896 13.6896 15.0927 15.0927 15.1907 15.1907 15.7872 15.7872 17.2168 17.2168 22.2790 22.2790 23.1181 23.1181 23.7698 23.7698 25.7231 25.7231 25.8753 25.8753 k =-0.0589 0.0855 0.1038 ( 2527 PWs) bands (ev): -51.8618 -51.8618 -24.5876 -24.5876 -21.5387 -21.5387 -21.3672 -21.3672 7.1670 7.1670 13.6626 13.6626 15.1268 15.1268 15.2154 15.2154 15.7743 15.7743 17.2668 17.2668 22.3176 22.3176 23.2602 23.2602 23.6581 23.6581 25.6244 25.6244 25.8308 25.8308 k =-0.0540 0.0784 0.0952 ( 2523 PWs) bands (ev): -51.8620 -51.8620 -24.5868 -24.5868 -21.5381 -21.5381 -21.3655 -21.3655 7.1289 7.1289 13.6376 13.6376 15.1253 15.1253 15.2728 15.2728 15.7626 15.7626 17.3144 17.3144 22.3504 22.3504 23.4017 23.4017 23.5556 23.5556 25.5275 25.5275 25.7845 25.7845 k =-0.0491 0.0712 0.0865 ( 2523 PWs) bands (ev): -51.8622 -51.8622 -24.5861 -24.5861 -21.5375 -21.5375 -21.3640 -21.3640 7.0941 7.0941 13.6145 13.6145 15.1152 15.1152 15.3356 15.3356 15.7522 15.7522 17.3594 17.3594 22.3770 22.3770 23.4602 23.4602 23.5449 23.5449 25.4356 25.4356 25.7333 25.7333 k =-0.0442 0.0641 0.0779 ( 2523 PWs) bands (ev): -51.8624 -51.8624 -24.5854 -24.5854 -21.5370 -21.5370 -21.3626 -21.3626 7.0626 7.0626 13.5935 13.5935 15.1037 15.1037 15.3959 15.3959 15.7430 15.7430 17.4013 17.4013 22.3974 22.3974 23.3779 23.3779 23.6842 23.6842 25.3503 25.3503 25.6765 25.6765 k =-0.0393 0.0570 0.0692 ( 2527 PWs) bands (ev): -51.8626 -51.8626 -24.5849 -24.5849 -21.5365 -21.5365 -21.3613 -21.3613 7.0343 7.0343 13.5745 13.5745 15.0926 15.0926 15.4517 15.4517 15.7353 15.7353 17.4399 17.4399 22.4117 22.4117 23.3056 23.3056 23.8227 23.8227 25.2721 25.2721 25.6138 25.6138 k =-0.0344 0.0499 0.0606 ( 2527 PWs) bands (ev): -51.8628 -51.8628 -24.5843 -24.5843 -21.5361 -21.5361 -21.3601 -21.3601 7.0092 7.0092 13.5577 13.5577 15.0823 15.0823 15.5017 15.5017 15.7292 15.7292 17.4748 17.4748 22.4202 22.4202 23.2442 23.2442 23.9593 23.9593 25.2016 25.2016 25.5453 25.5453 k =-0.0295 0.0427 0.0519 ( 2519 PWs) bands (ev): -51.8629 -51.8629 -24.5838 -24.5838 -21.5358 -21.5358 -21.3590 -21.3590 6.9875 6.9875 13.5430 13.5430 15.0731 15.0731 15.5451 15.5451 15.7252 15.7252 17.5058 17.5058 22.4235 22.4235 23.1936 23.1936 24.0934 24.0934 25.1391 25.1391 25.4714 25.4714 k =-0.0246 0.0356 0.0433 ( 2519 PWs) bands (ev): -51.8631 -51.8631 -24.5834 -24.5834 -21.5355 -21.5355 -21.3581 -21.3581 6.9691 6.9691 13.5305 13.5305 15.0651 15.0651 15.5809 15.5809 15.7235 15.7235 17.5325 17.5325 22.4226 22.4226 23.1535 23.1535 24.2243 24.2243 25.0845 25.0845 25.3929 25.3929 k =-0.0196 0.0285 0.0346 ( 2519 PWs) bands (ev): -51.8632 -51.8632 -24.5831 -24.5831 -21.5353 -21.5353 -21.3574 -21.3574 6.9540 6.9540 13.5203 13.5203 15.0585 15.0585 15.6083 15.6083 15.7247 15.7247 17.5548 17.5548 22.4189 22.4189 23.1228 23.1228 24.3514 24.3514 25.0374 25.0374 25.3110 25.3110 k =-0.0147 0.0214 0.0260 ( 2523 PWs) bands (ev): -51.8633 -51.8633 -24.5829 -24.5829 -21.5351 -21.5351 -21.3568 -21.3568 6.9423 6.9423 13.5123 13.5123 15.0533 15.0533 15.6271 15.6271 15.7285 15.7285 17.5723 17.5723 22.4140 22.4140 23.1005 23.1005 24.4733 24.4733 24.9961 24.9961 25.2287 25.2287 k =-0.0098 0.0142 0.0173 ( 2527 PWs) bands (ev): -51.8633 -51.8633 -24.5827 -24.5827 -21.5350 -21.5350 -21.3564 -21.3564 6.9339 6.9339 13.5066 13.5066 15.0496 15.0496 15.6384 15.6384 15.7336 15.7336 17.5850 17.5850 22.4093 22.4093 23.0856 23.0856 24.5877 24.5877 24.9563 24.9563 25.1528 25.1528 k =-0.0049 0.0071 0.0087 ( 2525 PWs) bands (ev): -51.8633 -51.8633 -24.5826 -24.5826 -21.5349 -21.5349 -21.3562 -21.3562 6.9288 6.9288 13.5031 13.5031 15.0474 15.0474 15.6441 15.6441 15.7378 15.7378 17.5926 17.5926 22.4060 22.4060 23.0770 23.0770 24.6880 24.6880 24.9108 24.9108 25.0972 25.0972 k = 0.0000 0.0000 0.0000 ( 2525 PWs) bands (ev): -51.8634 -51.8634 -24.5825 -24.5825 -21.5349 -21.5349 -21.3561 -21.3561 6.9272 6.9272 13.5020 13.5020 15.0466 15.0466 15.6458 15.6458 15.7394 15.7394 17.5952 17.5952 22.4048 22.4048 23.0742 23.0742 24.7412 24.7412 24.8775 24.8775 25.0771 25.0771 k = 0.0000 0.0000 0.0000 ( 2525 PWs) bands (ev): -51.8634 -51.8634 -24.5825 -24.5825 -21.5349 -21.5349 -21.3561 -21.3561 6.9272 6.9272 13.5020 13.5020 15.0466 15.0466 15.6458 15.6458 15.7394 15.7394 17.5952 17.5952 22.4048 22.4048 23.0742 23.0742 24.7412 24.7412 24.8775 24.8775 25.0771 25.0771 k = 0.0100 0.0069-0.0000 ( 2525 PWs) bands (ev): -51.8634 -51.8634 -24.5826 -24.5826 -21.5349 -21.5349 -21.3561 -21.3561 6.9289 6.9289 13.5006 13.5006 15.0456 15.0456 15.6469 15.6469 15.7405 15.7405 17.5955 17.5955 22.3883 22.3883 23.0773 23.0773 24.7563 24.7563 24.8732 24.8732 25.0722 25.0722 k = 0.0200 0.0138-0.0000 ( 2525 PWs) bands (ev): -51.8633 -51.8633 -24.5826 -24.5826 -21.5350 -21.5350 -21.3561 -21.3561 6.9342 6.9342 13.4964 13.4964 15.0424 15.0424 15.6503 15.6503 15.7439 15.7439 17.5963 17.5963 22.3402 22.3402 23.0864 23.0864 24.7983 24.7983 24.8628 24.8628 25.0575 25.0575 k = 0.0300 0.0207-0.0000 ( 2517 PWs) bands (ev): -51.8633 -51.8633 -24.5826 -24.5826 -21.5351 -21.5351 -21.3561 -21.3561 6.9429 6.9429 13.4895 13.4895 15.0372 15.0372 15.6559 15.6559 15.7496 15.7496 17.5977 17.5977 22.2638 22.2638 23.1015 23.1015 24.8219 24.8219 24.8879 24.8879 25.0332 25.0332 k = 0.0400 0.0276-0.0000 ( 2525 PWs) bands (ev): -51.8633 -51.8633 -24.5828 -24.5828 -21.5354 -21.5354 -21.3561 -21.3561 6.9551 6.9551 13.4797 13.4797 15.0300 15.0300 15.6638 15.6638 15.7575 15.7575 17.5996 17.5996 22.1638 22.1638 23.1226 23.1226 24.7940 24.7940 24.9778 24.9778 24.9996 24.9996 k = 0.0500 0.0345-0.0000 ( 2525 PWs) bands (ev): -51.8633 -51.8633 -24.5829 -24.5829 -21.5357 -21.5357 -21.3562 -21.3562 6.9708 6.9708 13.4673 13.4673 15.0208 15.0208 15.6740 15.6740 15.7677 15.7677 17.6021 17.6021 22.0448 22.0448 23.1496 23.1496 24.7529 24.7529 24.9571 24.9571 25.0897 25.0897 k = 0.0600 0.0414-0.0000 ( 2533 PWs) bands (ev): -51.8633 -51.8633 -24.5831 -24.5831 -21.5361 -21.5361 -21.3562 -21.3562 6.9899 6.9899 13.4521 13.4521 15.0096 15.0096 15.6864 15.6864 15.7802 15.7802 17.6051 17.6051 21.9108 21.9108 23.1825 23.1825 24.7027 24.7027 24.9062 24.9062 25.2159 25.2159 k = 0.0700 0.0483-0.0000 ( 2525 PWs) bands (ev): -51.8632 -51.8632 -24.5832 -24.5832 -21.5365 -21.5365 -21.3563 -21.3563 7.0125 7.0125 13.4342 13.4342 14.9966 14.9966 15.7010 15.7010 15.7949 15.7949 17.6086 17.6086 21.7652 21.7652 23.2211 23.2211 24.6444 24.6444 24.8475 24.8475 25.3526 25.3526 k = 0.0800 0.0551-0.0000 ( 2521 PWs) bands (ev): -51.8632 -51.8632 -24.5834 -24.5834 -21.5369 -21.5369 -21.3563 -21.3563 7.0385 7.0385 13.4137 13.4137 14.9818 14.9818 15.7178 15.7178 15.8119 15.8119 17.6127 17.6127 21.6108 21.6108 23.2653 23.2653 24.5787 24.5787 24.7814 24.7814 25.4968 25.4968 k = 0.0900 0.0620-0.0000 ( 2521 PWs) bands (ev): -51.8631 -51.8631 -24.5837 -24.5837 -21.5375 -21.5375 -21.3564 -21.3564 7.0679 7.0679 13.3906 13.3906 14.9654 14.9654 15.7368 15.7368 15.8310 15.8310 17.6172 17.6172 21.4497 21.4497 23.3149 23.3149 24.5063 24.5063 24.7086 24.7086 25.6464 25.6464 k = 0.1000 0.0689-0.0000 ( 2521 PWs) bands (ev): -51.8631 -51.8631 -24.5839 -24.5839 -21.5381 -21.5381 -21.3565 -21.3565 7.1007 7.1007 13.3650 13.3650 14.9473 14.9473 15.7579 15.7579 15.8524 15.8524 17.6223 17.6223 21.2834 21.2834 23.3699 23.3699 24.4278 24.4278 24.6297 24.6297 25.7997 25.7997 k = 0.1100 0.0758-0.0000 ( 2521 PWs) bands (ev): -51.8630 -51.8630 -24.5842 -24.5842 -21.5387 -21.5387 -21.3566 -21.3566 7.1368 7.1368 13.3368 13.3368 14.9278 14.9278 15.7812 15.7812 15.8760 15.8760 17.6278 17.6278 21.1132 21.1132 23.4300 23.4300 24.3436 24.3436 24.5452 24.5452 25.9552 25.9552 k = 0.1200 0.0827-0.0000 ( 2521 PWs) bands (ev): -51.8630 -51.8630 -24.5845 -24.5845 -21.5394 -21.5394 -21.3567 -21.3567 7.1763 7.1763 13.3062 13.3062 14.9069 14.9069 15.8067 15.8067 15.9017 15.9017 17.6337 17.6337 20.9402 20.9402 23.4950 23.4950 24.2545 24.2545 24.4557 24.4557 26.1119 26.1119 k = 0.1300 0.0896-0.0000 ( 2521 PWs) bands (ev): -51.8629 -51.8629 -24.5848 -24.5848 -21.5401 -21.5401 -21.3568 -21.3568 7.2191 7.2191 13.2732 13.2732 14.8848 14.8848 15.8342 15.8342 15.9295 15.9295 17.6401 17.6401 20.7652 20.7652 23.5649 23.5649 24.1609 24.1609 24.3617 24.3617 26.2686 26.2686 k = 0.1400 0.0965-0.0000 ( 2521 PWs) bands (ev): -51.8629 -51.8629 -24.5851 -24.5851 -21.5409 -21.5409 -21.3569 -21.3569 7.2652 7.2652 13.2378 13.2378 14.8616 14.8616 15.8638 15.8638 15.9595 15.9595 17.6469 17.6469 20.5889 20.5889 23.6393 23.6393 24.0633 24.0633 24.2637 24.2637 26.4244 26.4244 k = 0.1500 0.1034-0.0000 ( 2521 PWs) bands (ev): -51.8628 -51.8628 -24.5855 -24.5855 -21.5417 -21.5417 -21.3570 -21.3570 7.3145 7.3145 13.2002 13.2002 14.8374 14.8374 15.8954 15.8954 15.9915 15.9915 17.6540 17.6540 20.4119 20.4119 23.7180 23.7180 23.9622 23.9622 24.1622 24.1622 26.5786 26.5786 k = 0.1600 0.1103-0.0000 ( 2513 PWs) bands (ev): -51.8627 -51.8627 -24.5858 -24.5858 -21.5426 -21.5426 -21.3571 -21.3571 7.3670 7.3670 13.1603 13.1603 14.8123 14.8123 15.9289 15.9289 16.0256 16.0256 17.6616 17.6616 20.2347 20.2347 23.8008 23.8008 23.8581 23.8581 24.0578 24.0578 26.7303 26.7303 k = 0.1700 0.1172-0.0000 ( 2513 PWs) bands (ev): -51.8626 -51.8626 -24.5862 -24.5862 -21.5435 -21.5435 -21.3572 -21.3572 7.4227 7.4227 13.1181 13.1181 14.7865 14.7865 15.9644 15.9644 16.0616 16.0616 17.6695 17.6695 20.0577 20.0577 23.7513 23.7513 23.8863 23.8863 23.9518 23.9518 26.8786 26.8786 k = 0.1800 0.1241-0.0000 ( 2513 PWs) bands (ev): -51.8626 -51.8626 -24.5866 -24.5866 -21.5444 -21.5444 -21.3573 -21.3573 7.4814 7.4814 13.0738 13.0738 14.7601 14.7601 16.0018 16.0018 16.0996 16.0996 17.6776 17.6776 19.8813 19.8813 23.6422 23.6422 23.8395 23.8395 23.9796 23.9796 27.0227 27.0227 k = 0.1900 0.1310-0.0000 ( 2513 PWs) bands (ev): -51.8625 -51.8625 -24.5870 -24.5870 -21.5453 -21.5453 -21.3575 -21.3575 7.5432 7.5432 13.0274 13.0274 14.7333 14.7333 16.0410 16.0410 16.1394 16.1394 17.6861 17.6861 19.7061 19.7061 23.5312 23.5312 23.7284 23.7284 24.0731 24.0731 27.1619 27.1619 k = 0.2000 0.1379-0.0000 ( 2517 PWs) bands (ev): -51.8624 -51.8624 -24.5875 -24.5875 -21.5463 -21.5463 -21.3576 -21.3576 7.6080 7.6080 12.9789 12.9789 14.7060 14.7060 16.0820 16.0820 16.1810 16.1810 17.6948 17.6948 19.5322 19.5322 23.4187 23.4187 23.6154 23.6154 24.1703 24.1703 27.2953 27.2953 k = 0.2100 0.1448-0.0000 ( 2533 PWs) bands (ev): -51.8623 -51.8623 -24.5880 -24.5880 -21.5474 -21.5474 -21.3578 -21.3578 7.6758 7.6758 12.9283 12.9283 14.6786 14.6786 16.1247 16.1247 16.2244 16.2244 17.7037 17.7037 19.3600 19.3600 23.3050 23.3050 23.5010 23.5010 24.2704 24.2704 27.4222 27.4222 k = 0.2200 0.1517-0.0000 ( 2533 PWs) bands (ev): -51.8622 -51.8622 -24.5884 -24.5884 -21.5484 -21.5484 -21.3580 -21.3580 7.7465 7.7465 12.8757 12.8757 14.6510 14.6510 16.1689 16.1689 16.2694 16.2694 17.7128 17.7128 19.1899 19.1899 23.1904 23.1904 23.3857 23.3857 24.3732 24.3732 27.5421 27.5421 k = 0.2300 0.1586-0.0000 ( 2533 PWs) bands (ev): -51.8621 -51.8621 -24.5889 -24.5889 -21.5494 -21.5494 -21.3581 -21.3581 7.8200 7.8200 12.8210 12.8210 14.6235 14.6235 16.2147 16.2147 16.3160 16.3160 17.7221 17.7221 19.0222 19.0222 23.0752 23.0752 23.2698 23.2698 24.4784 24.4784 27.6545 27.6545 k = 0.2400 0.1654-0.0000 ( 2541 PWs) bands (ev): -51.8621 -51.8621 -24.5894 -24.5894 -21.5505 -21.5505 -21.3583 -21.3583 7.8962 7.8962 12.7643 12.7643 14.5961 14.5961 16.2620 16.2620 16.3641 16.3641 17.7315 17.7315 18.8573 18.8573 22.9596 22.9596 23.1535 23.1535 24.5857 24.5857 27.7590 27.7590 k = 0.2500 0.1723-0.0000 ( 2533 PWs) bands (ev): -51.8620 -51.8620 -24.5898 -24.5898 -21.5515 -21.5515 -21.3584 -21.3584 7.9752 7.9752 12.7056 12.7056 14.5688 14.5688 16.3105 16.3105 16.4136 16.4136 17.7410 17.7410 18.6954 18.6954 22.8441 22.8441 23.0372 23.0372 24.6948 24.6948 27.8556 27.8556 k = 0.2600 0.1792-0.0000 ( 2525 PWs) bands (ev): -51.8619 -51.8619 -24.5902 -24.5902 -21.5524 -21.5524 -21.3585 -21.3585 8.0568 8.0568 12.6449 12.6449 14.5419 14.5419 16.3603 16.3603 16.4643 16.4643 17.7505 17.7505 18.5368 18.5368 22.7288 22.7288 22.9211 22.9211 24.8053 24.8053 27.9444 27.9444 k = 0.2700 0.1861-0.0000 ( 2525 PWs) bands (ev): -51.8618 -51.8618 -24.5906 -24.5906 -21.5535 -21.5535 -21.3587 -21.3587 8.1409 8.1409 12.5821 12.5821 14.5155 14.5155 16.4112 16.4112 16.5163 16.5163 17.7601 17.7601 18.3819 18.3819 22.6140 22.6140 22.8055 22.8055 24.9170 24.9170 28.0257 28.0257 k = 0.2800 0.1930-0.0000 ( 2533 PWs) bands (ev): -51.8617 -51.8617 -24.5911 -24.5911 -21.5545 -21.5545 -21.3588 -21.3588 8.2274 8.2274 12.5172 12.5172 14.4895 14.4895 16.4629 16.4629 16.5692 16.5692 17.7696 17.7696 18.2310 18.2310 22.5001 22.5001 22.6907 22.6907 25.0295 25.0295 28.0998 28.0998 k = 0.2900 0.1999-0.0000 ( 2533 PWs) bands (ev): -51.8616 -51.8616 -24.5916 -24.5916 -21.5555 -21.5555 -21.3590 -21.3590 8.3164 8.3164 12.4503 12.4503 14.4641 14.4641 16.5154 16.5154 16.6230 16.6230 17.7791 17.7791 18.0845 18.0845 22.3872 22.3872 22.5770 22.5770 25.1424 25.1424 28.1673 28.1673 k = 0.3000 0.2068-0.0000 ( 2533 PWs) bands (ev): -51.8616 -51.8616 -24.5920 -24.5920 -21.5565 -21.5565 -21.3591 -21.3591 8.4076 8.4076 12.3812 12.3812 14.4394 14.4394 16.5685 16.5685 16.6775 16.6775 17.7884 17.7884 17.9427 17.9427 22.2757 22.2757 22.4646 22.4646 25.2553 25.2553 28.2287 28.2287 k = 0.3100 0.2137-0.0000 ( 2533 PWs) bands (ev): -51.8615 -51.8615 -24.5924 -24.5924 -21.5574 -21.5574 -21.3593 -21.3593 8.5010 8.5010 12.3101 12.3101 14.4154 14.4154 16.6218 16.6218 16.7325 16.7325 17.7977 17.7977 17.8059 17.8059 22.1658 22.1658 22.3539 22.3539 25.3678 25.3678 28.2845 28.2845 k = 0.3200 0.2206-0.0000 ( 2533 PWs) bands (ev): -51.8614 -51.8614 -24.5928 -24.5928 -21.5584 -21.5584 -21.3594 -21.3594 8.5964 8.5964 12.2367 12.2367 14.3923 14.3923 16.6750 16.6750 16.7878 16.7878 17.6747 17.6747 17.8068 17.8068 22.0579 22.0579 22.2451 22.2451 25.4796 25.4796 28.3354 28.3354 k = 0.3300 0.2275-0.0000 ( 2529 PWs) bands (ev): -51.8613 -51.8613 -24.5932 -24.5932 -21.5593 -21.5593 -21.3595 -21.3595 8.6939 8.6939 12.1612 12.1612 14.3700 14.3700 16.7277 16.7277 16.8433 16.8433 17.5495 17.5495 17.8157 17.8157 21.9523 21.9523 22.1386 22.1386 25.5900 25.5900 28.3816 28.3816 k = 0.3400 0.2344-0.0000 ( 2525 PWs) bands (ev): -51.8612 -51.8612 -24.5936 -24.5936 -21.5601 -21.5601 -21.3596 -21.3596 8.7931 8.7931 12.0835 12.0835 14.3487 14.3487 16.7791 16.7791 16.8985 16.8985 17.4312 17.4312 17.8245 17.8245 21.8493 21.8493 22.0347 22.0347 25.6988 25.6988 28.4238 28.4238 k = 0.3500 0.2413-0.0000 ( 2525 PWs) bands (ev): -51.8612 -51.8612 -24.5939 -24.5939 -21.5610 -21.5610 -21.3597 -21.3597 8.8941 8.8941 12.0035 12.0035 14.3284 14.3284 16.8280 16.8280 16.9534 16.9534 17.3210 17.3210 17.8329 17.8329 21.7491 21.7491 21.9337 21.9337 25.8053 25.8053 28.4623 28.4623 k = 0.3600 0.2482-0.0000 ( 2517 PWs) bands (ev): -51.8611 -51.8611 -24.5943 -24.5943 -21.5617 -21.5617 -21.3598 -21.3598 8.9967 8.9967 11.9213 11.9213 14.3092 14.3092 16.8713 16.8713 17.0075 17.0075 17.2219 17.2219 17.8411 17.8411 21.6523 21.6523 21.8360 21.8360 25.9090 25.9090 28.4973 28.4973 k = 0.3700 0.2551-0.0000 ( 2517 PWs) bands (ev): -51.8610 -51.8610 -24.5946 -24.5946 -21.5625 -21.5625 -21.3599 -21.3599 9.1007 9.1007 11.8368 11.8368 14.2911 14.2911 16.9010 16.9010 17.0606 17.0606 17.1419 17.1419 17.8490 17.8490 21.5592 21.5592 21.7420 21.7420 26.0094 26.0094 28.5292 28.5292 k = 0.3800 0.2620-0.0000 ( 2525 PWs) bands (ev): -51.8610 -51.8610 -24.5950 -24.5950 -21.5632 -21.5632 -21.3601 -21.3601 9.2059 9.2059 11.7502 11.7502 14.2742 14.2742 16.8970 16.8970 17.1010 17.1010 17.1122 17.1122 17.8565 17.8565 21.4701 21.4701 21.6522 21.6522 26.1059 26.1059 28.5582 28.5582 k = 0.3900 0.2689-0.0000 ( 2521 PWs) bands (ev): -51.8609 -51.8609 -24.5952 -24.5952 -21.5639 -21.5639 -21.3601 -21.3601 9.3123 9.3123 11.6614 11.6614 14.2584 14.2584 16.8504 16.8504 17.1079 17.1079 17.1621 17.1621 17.8637 17.8637 21.3855 21.3855 21.5668 21.5668 26.1979 26.1979 28.5845 28.5845 k = 0.4000 0.2757-0.0000 ( 2509 PWs) bands (ev): -51.8609 -51.8609 -24.5954 -24.5954 -21.5644 -21.5644 -21.3602 -21.3602 9.4196 9.4196 11.5705 11.5705 14.2439 14.2439 16.7854 16.7854 17.1382 17.1382 17.2097 17.2097 17.8705 17.8705 21.3059 21.3059 21.4865 21.4865 26.2848 26.2848 28.6082 28.6082 k = 0.4100 0.2826-0.0000 ( 2509 PWs) bands (ev): -51.8608 -51.8608 -24.5957 -24.5957 -21.5650 -21.5650 -21.3603 -21.3603 9.5277 9.5277 11.4777 11.4777 14.2307 14.2307 16.7186 16.7186 17.1751 17.1751 17.2547 17.2547 17.8769 17.8769 21.2318 21.2318 21.4117 21.4117 26.3659 26.3659 28.6294 28.6294 k = 0.4200 0.2895-0.0000 ( 2522 PWs) bands (ev): -51.8608 -51.8608 -24.5960 -24.5960 -21.5656 -21.5656 -21.3604 -21.3604 9.6362 9.6362 11.3829 11.3829 14.2188 14.2188 16.6556 16.6556 17.2127 17.2127 17.2966 17.2966 17.8828 17.8828 21.1635 21.1635 21.3428 21.3428 26.4406 26.4406 28.6482 28.6482 k = 0.4300 0.2964-0.0000 ( 2530 PWs) bands (ev): -51.8607 -51.8607 -24.5962 -24.5962 -21.5661 -21.5661 -21.3605 -21.3605 9.7449 9.7449 11.2866 11.2866 14.2082 14.2082 16.5984 16.5984 17.2486 17.2486 17.3350 17.3350 17.8883 17.8883 21.1018 21.1018 21.2804 21.2804 26.5084 26.5084 28.6647 28.6647 k = 0.4400 0.3033-0.0000 ( 2530 PWs) bands (ev): -51.8607 -51.8607 -24.5964 -24.5964 -21.5665 -21.5665 -21.3606 -21.3606 9.8534 9.8534 11.1889 11.1889 14.1990 14.1990 16.5481 16.5481 17.2815 17.2815 17.3693 17.3693 17.8932 17.8932 21.0469 21.0469 21.2251 21.2251 26.5685 26.5685 28.6789 28.6789 k = 0.4500 0.3102-0.0000 ( 2530 PWs) bands (ev): -51.8607 -51.8607 -24.5966 -24.5966 -21.5668 -21.5668 -21.3606 -21.3606 9.9612 9.9612 11.0904 11.0904 14.1912 14.1912 16.5050 16.5050 17.3107 17.3107 17.3992 17.3992 17.8975 17.8975 20.9995 20.9995 21.1772 21.1772 26.6205 26.6205 28.6909 28.6909 k = 0.4600 0.3171-0.0000 ( 2526 PWs) bands (ev): -51.8606 -51.8606 -24.5967 -24.5967 -21.5671 -21.5671 -21.3607 -21.3607 10.0675 10.0675 10.9917 10.9917 14.1848 14.1848 16.4694 16.4694 17.3354 17.3354 17.4242 17.4242 17.9012 17.9012 20.9600 20.9600 21.1373 21.1373 26.6638 26.6638 28.7007 28.7007 k = 0.4700 0.3240-0.0000 ( 2530 PWs) bands (ev): -51.8606 -51.8606 -24.5968 -24.5968 -21.5673 -21.5673 -21.3607 -21.3607 10.1707 10.1707 10.8946 10.8946 14.1797 14.1797 16.4416 16.4416 17.3551 17.3551 17.4441 17.4441 17.9042 17.9042 20.9288 20.9288 21.1058 21.1058 26.6980 26.6980 28.7083 28.7083 k = 0.4800 0.3309-0.0000 ( 2530 PWs) bands (ev): -51.8606 -51.8606 -24.5969 -24.5969 -21.5675 -21.5675 -21.3607 -21.3607 10.2671 10.2671 10.8024 10.8024 14.1762 14.1762 16.4217 16.4217 17.3695 17.3695 17.4585 17.4585 17.9063 17.9063 20.9062 20.9062 21.0831 21.0831 26.7227 26.7227 28.7137 28.7137 k = 0.4900 0.3378-0.0000 ( 2538 PWs) bands (ev): -51.8606 -51.8606 -24.5969 -24.5969 -21.5676 -21.5676 -21.3608 -21.3608 10.3467 10.3467 10.7254 10.7254 14.1740 14.1740 16.4097 16.4097 17.3783 17.3783 17.4672 17.4672 17.9076 17.9076 20.8925 20.8925 21.0693 21.0693 26.7376 26.7376 28.7169 28.7169 k = 0.5000 0.3447-0.0000 ( 2538 PWs) bands (ev): -51.8606 -51.8606 -24.5970 -24.5970 -21.5676 -21.5676 -21.3608 -21.3608 10.3819 10.3819 10.6911 10.6911 14.1733 14.1733 16.4057 16.4057 17.3812 17.3812 17.4701 17.4701 17.9081 17.9081 20.8880 20.8880 21.0647 21.0647 26.7426 26.7426 28.7180 28.7180 k = 0.5000 0.3447-0.0000 ( 2538 PWs) bands (ev): -51.8606 -51.8606 -24.5970 -24.5970 -21.5676 -21.5676 -21.3608 -21.3608 10.3819 10.3819 10.6911 10.6911 14.1733 14.1733 16.4057 16.4057 17.3812 17.3812 17.4701 17.4701 17.9081 17.9081 20.8880 20.8880 21.0647 21.0647 26.7426 26.7426 28.7180 28.7180 k = 0.4951 0.3518 0.0086 ( 2540 PWs) bands (ev): -51.8606 -51.8606 -24.5970 -24.5970 -21.5677 -21.5677 -21.3609 -21.3609 10.3837 10.3837 10.6916 10.6916 14.1734 14.1734 16.4048 16.4048 17.3813 17.3813 17.4701 17.4701 17.9044 17.9044 20.8881 20.8881 21.0645 21.0645 26.7450 26.7450 28.7090 28.7090 k = 0.4902 0.3589 0.0172 ( 2540 PWs) bands (ev): -51.8606 -51.8606 -24.5971 -24.5971 -21.5677 -21.5677 -21.3611 -21.3611 10.3890 10.3890 10.6930 10.6930 14.1739 14.1739 16.4021 16.4021 17.3815 17.3815 17.4699 17.4699 17.8934 17.8934 20.8871 20.8871 21.0656 21.0656 26.7516 26.7516 28.6833 28.6833 k = 0.4853 0.3660 0.0258 ( 2534 PWs) bands (ev): -51.8605 -51.8605 -24.5972 -24.5972 -21.5677 -21.5677 -21.3615 -21.3615 10.3978 10.3978 10.6954 10.6954 14.1746 14.1746 16.3976 16.3976 17.3818 17.3818 17.4696 17.4696 17.8753 17.8753 20.8811 20.8811 21.0717 21.0717 26.7613 26.7613 28.6450 28.6450 k = 0.4805 0.3730 0.0344 ( 2534 PWs) bands (ev): -51.8604 -51.8604 -24.5974 -24.5974 -21.5678 -21.5678 -21.3620 -21.3620 10.4101 10.4101 10.6987 10.6987 14.1754 14.1754 16.3914 16.3914 17.3822 17.3822 17.4692 17.4692 17.8507 17.8507 20.8657 20.8657 21.0873 21.0873 26.7720 26.7720 28.5997 28.5997 k = 0.4756 0.3801 0.0431 ( 2530 PWs) bands (ev): -51.8604 -51.8604 -24.5976 -24.5976 -21.5679 -21.5679 -21.3627 -21.3627 10.4260 10.4260 10.7029 10.7029 14.1763 14.1763 16.3834 16.3834 17.3826 17.3826 17.4686 17.4686 17.8200 17.8200 20.8390 20.8390 21.1147 21.1147 26.7809 26.7809 28.5537 28.5537 k = 0.4707 0.3872 0.0517 ( 2522 PWs) bands (ev): -51.8602 -51.8602 -24.5979 -24.5979 -21.5679 -21.5679 -21.3635 -21.3635 10.4453 10.4453 10.7082 10.7082 14.1772 14.1772 16.3737 16.3737 17.3829 17.3829 17.4676 17.4676 17.7841 17.7841 20.8017 20.8017 21.1533 21.1533 26.7848 26.7848 28.5131 28.5131 k = 0.4658 0.3943 0.0603 ( 2520 PWs) bands (ev): -51.8601 -51.8601 -24.5983 -24.5983 -21.5681 -21.5681 -21.3645 -21.3645 10.4680 10.4680 10.7143 10.7143 14.1777 14.1777 16.3624 16.3624 17.3831 17.3831 17.4660 17.4660 17.7440 17.7440 20.7557 20.7557 21.2015 21.2015 26.7797 26.7797 28.4837 28.4837 k = 0.4609 0.4014 0.0689 ( 2512 PWs) bands (ev): -51.8600 -51.8600 -24.5987 -24.5987 -21.5682 -21.5682 -21.3656 -21.3656 10.4941 10.4941 10.7215 10.7215 14.1778 14.1778 16.3496 16.3496 17.3830 17.3830 17.4634 17.4634 17.7009 17.7009 20.7027 20.7027 21.2578 21.2578 26.7623 26.7623 28.4704 28.4704 k = 0.4560 0.4085 0.0775 ( 2508 PWs) bands (ev): -51.8598 -51.8598 -24.5991 -24.5991 -21.5684 -21.5684 -21.3669 -21.3669 10.5236 10.5236 10.7296 10.7296 14.1771 14.1771 16.3353 16.3353 17.3823 17.3823 17.4585 17.4585 17.6570 17.6570 20.6444 20.6444 21.3210 21.3210 26.7302 26.7302 28.4764 28.4764 k = 0.4511 0.4156 0.0861 ( 2508 PWs) bands (ev): -51.8596 -51.8596 -24.5996 -24.5996 -21.5686 -21.5686 -21.3683 -21.3683 10.5564 10.5564 10.7388 10.7388 14.1755 14.1755 16.3197 16.3197 17.3806 17.3806 17.4491 17.4491 17.6155 17.6155 20.5820 20.5820 21.3901 21.3901 26.6821 26.6821 28.5033 28.5033 k = 0.4462 0.4227 0.0947 ( 2508 PWs) bands (ev): -51.8594 -51.8594 -24.6002 -24.6002 -21.5688 -21.5688 -21.3698 -21.3698 10.5924 10.5924 10.7490 10.7490 14.1724 14.1724 16.3030 16.3030 17.3765 17.3765 17.4320 17.4320 17.5816 17.5816 20.5168 20.5168 21.4644 21.4644 26.6186 26.6186 28.5507 28.5507 k = 0.4414 0.4298 0.1033 ( 2504 PWs) bands (ev): -51.8592 -51.8592 -24.6008 -24.6008 -21.5691 -21.5691 -21.3713 -21.3713 10.6314 10.6314 10.7603 10.7603 14.1676 14.1676 16.2853 16.2853 17.3644 17.3644 17.4087 17.4087 17.5601 17.5601 20.4496 20.4496 21.5432 21.5432 26.5414 26.5414 28.6166 28.6166 k = 0.4365 0.4368 0.1119 ( 2500 PWs) bands (ev): -51.8590 -51.8590 -24.6015 -24.6015 -21.5694 -21.5694 -21.3730 -21.3730 10.6732 10.6732 10.7730 10.7730 14.1607 14.1607 16.2670 16.2670 17.3315 17.3315 17.3930 17.3930 17.5504 17.5504 20.3815 20.3815 21.6259 21.6259 26.4526 26.4526 28.6986 28.6986 k = 0.4316 0.4439 0.1205 ( 2500 PWs) bands (ev): -51.8588 -51.8588 -24.6022 -24.6022 -21.5698 -21.5698 -21.3748 -21.3748 10.7172 10.7172 10.7877 10.7877 14.1512 14.1512 16.2482 16.2482 17.2811 17.2811 17.3858 17.3858 17.5488 17.5488 20.3132 20.3132 21.7121 21.7121 26.3548 26.3548 28.7938 28.7938 k = 0.4267 0.4510 0.1292 ( 2496 PWs) bands (ev): -51.8585 -51.8585 -24.6029 -24.6029 -21.5702 -21.5702 -21.3766 -21.3766 10.7610 10.7610 10.8065 10.8065 14.1387 14.1387 16.2293 16.2293 17.2231 17.2231 17.3807 17.3807 17.5524 17.5524 20.2455 20.2455 21.8015 21.8015 26.2501 26.2501 28.8995 28.8995 k = 0.4218 0.4581 0.1378 ( 2496 PWs) bands (ev): -51.8582 -51.8582 -24.6037 -24.6037 -21.5706 -21.5706 -21.3785 -21.3785 10.7962 10.7962 10.8379 10.8379 14.1227 14.1227 16.2106 16.2106 17.1613 17.1613 17.3758 17.3758 17.5594 17.5594 20.1791 20.1791 21.8935 21.8935 26.1404 26.1404 29.0130 29.0130 k = 0.4169 0.4652 0.1464 ( 2502 PWs) bands (ev): -51.8580 -51.8580 -24.6045 -24.6045 -21.5711 -21.5711 -21.3804 -21.3804 10.8191 10.8191 10.8855 10.8855 14.1026 14.1026 16.1924 16.1924 17.0976 17.0976 17.3706 17.3706 17.5692 17.5692 20.1145 20.1145 21.9880 21.9880 26.0275 26.0275 29.1321 29.1321 k = 0.4120 0.4723 0.1550 ( 2502 PWs) bands (ev): -51.8577 -51.8577 -24.6053 -24.6053 -21.5716 -21.5716 -21.3824 -21.3824 10.8382 10.8382 10.9408 10.9408 14.0781 14.0781 16.1752 16.1752 17.0329 17.0329 17.3648 17.3648 17.5812 17.5812 20.0522 20.0522 22.0847 22.0847 25.9126 25.9126 29.2548 29.2548 k = 0.4071 0.4794 0.1636 ( 2502 PWs) bands (ev): -51.8574 -51.8574 -24.6062 -24.6062 -21.5722 -21.5722 -21.3844 -21.3844 10.8569 10.8569 11.0001 11.0001 14.0486 14.0486 16.1593 16.1593 16.9677 16.9677 17.3585 17.3585 17.5952 17.5952 19.9928 19.9928 22.1834 22.1834 25.7969 25.7969 29.3792 29.3792 k = 0.4023 0.4865 0.1722 ( 2508 PWs) bands (ev): -51.8571 -51.8571 -24.6071 -24.6071 -21.5728 -21.5728 -21.3864 -21.3864 10.8760 10.8760 11.0627 11.0627 14.0139 14.0139 16.1449 16.1449 16.9025 16.9025 17.3515 17.3515 17.6112 17.6112 19.9364 19.9364 22.2838 22.2838 25.6811 25.6811 29.5037 29.5037 k = 0.3974 0.4936 0.1808 ( 2510 PWs) bands (ev): -51.8568 -51.8568 -24.6081 -24.6081 -21.5735 -21.5735 -21.3884 -21.3884 10.8960 10.8960 11.1280 11.1280 13.9735 13.9735 16.1323 16.1323 16.8378 16.8378 17.3438 17.3438 17.6291 17.6291 19.8835 19.8835 22.3859 22.3859 25.5662 25.5662 29.6267 29.6267 k = 0.3925 0.5006 0.1894 ( 2510 PWs) bands (ev): -51.8565 -51.8565 -24.6090 -24.6090 -21.5742 -21.5742 -21.3904 -21.3904 10.9168 10.9168 11.1959 11.1959 13.9272 13.9272 16.1217 16.1217 16.7737 16.7737 17.3355 17.3355 17.6488 17.6488 19.8342 19.8342 22.4894 22.4894 25.4526 25.4526 29.7469 29.7469 k = 0.3876 0.5077 0.1980 ( 2510 PWs) bands (ev): -51.8561 -51.8561 -24.6099 -24.6099 -21.5749 -21.5749 -21.3924 -21.3924 10.9385 10.9385 11.2662 11.2662 13.8750 13.8750 16.1133 16.1133 16.7105 16.7105 17.3265 17.3265 17.6704 17.6704 19.7888 19.7888 22.5942 22.5942 25.3409 25.3409 29.8629 29.8629 k = 0.3827 0.5148 0.2066 ( 2510 PWs) bands (ev): -51.8558 -51.8558 -24.6109 -24.6109 -21.5758 -21.5758 -21.3943 -21.3943 10.9612 10.9612 11.3386 11.3386 13.8168 13.8168 16.1070 16.1070 16.6484 16.6484 17.3167 17.3167 17.6938 17.6938 19.7475 19.7475 22.7004 22.7004 25.2316 25.2316 29.9734 29.9734 k = 0.3778 0.5219 0.2153 ( 2508 PWs) bands (ev): -51.8555 -51.8555 -24.6118 -24.6118 -21.5766 -21.5766 -21.3962 -21.3962 10.9850 10.9850 11.4131 11.4131 13.7526 13.7526 16.1027 16.1027 16.5876 16.5876 17.3063 17.3063 17.7191 17.7191 19.7102 19.7102 22.8077 22.8077 25.1252 25.1252 30.0288 30.0288 k = 0.3729 0.5290 0.2239 ( 2512 PWs) bands (ev): -51.8552 -51.8552 -24.6128 -24.6128 -21.5775 -21.5775 -21.3980 -21.3980 11.0097 11.0097 11.4895 11.4895 13.6828 13.6828 16.1003 16.1003 16.5282 16.5282 17.2951 17.2951 17.7464 17.7464 19.6771 19.6771 22.9161 22.9161 25.0218 25.0218 29.9244 29.9244 k = 0.3680 0.5361 0.2325 ( 2520 PWs) bands (ev): -51.8549 -51.8549 -24.6138 -24.6138 -21.5784 -21.5784 -21.3998 -21.3998 11.0355 11.0355 11.5673 11.5673 13.6077 13.6077 16.0995 16.0995 16.4705 16.4705 17.2833 17.2833 17.7755 17.7755 19.6482 19.6482 23.0256 23.0256 24.9220 24.9220 29.8222 29.8222 k = 0.3632 0.5432 0.2411 ( 2520 PWs) bands (ev): -51.8545 -51.8545 -24.6147 -24.6147 -21.5794 -21.5794 -21.4015 -21.4015 11.0624 11.0624 11.6465 11.6465 13.5276 13.5276 16.1000 16.1000 16.4146 16.4146 17.2706 17.2706 17.8066 17.8066 19.6235 19.6235 23.1362 23.1362 24.8259 24.8259 29.7230 29.7230 k = 0.3583 0.5503 0.2497 ( 2524 PWs) bands (ev): -51.8542 -51.8542 -24.6157 -24.6157 -21.5804 -21.5804 -21.4031 -21.4031 11.0903 11.0903 11.7265 11.7265 13.4433 13.4433 16.1012 16.1012 16.3608 16.3608 17.2573 17.2573 17.8397 17.8397 19.6030 19.6030 23.2477 23.2477 24.7338 24.7338 29.6266 29.6266 k = 0.3534 0.5574 0.2583 ( 2520 PWs) bands (ev): -51.8539 -51.8539 -24.6166 -24.6166 -21.5814 -21.5814 -21.4046 -21.4046 11.1194 11.1194 11.8069 11.8069 13.3554 13.3554 16.1026 16.1026 16.3094 16.3094 17.2432 17.2432 17.8748 17.8748 19.5867 19.5867 23.3602 23.3602 24.6461 24.6461 29.5333 29.5333 k = 0.3485 0.5645 0.2669 ( 2520 PWs) bands (ev): -51.8536 -51.8536 -24.6175 -24.6175 -21.5824 -21.5824 -21.4061 -21.4061 11.1496 11.1496 11.8869 11.8869 13.2651 13.2651 16.1034 16.1034 16.2608 16.2608 17.2283 17.2283 17.9119 17.9119 19.5744 19.5744 23.4737 23.4737 24.5628 24.5628 29.4431 29.4431 k = 0.3436 0.5715 0.2755 ( 2522 PWs) bands (ev): -51.8533 -51.8533 -24.6184 -24.6184 -21.5834 -21.5834 -21.4075 -21.4075 11.1810 11.1810 11.9653 11.9653 13.1737 13.1737 16.1021 16.1021 16.2163 16.2163 17.2127 17.2127 17.9511 17.9511 19.5661 19.5661 23.5881 23.5881 24.4843 24.4843 29.3560 29.3560 k = 0.3387 0.5786 0.2841 ( 2518 PWs) bands (ev): -51.8530 -51.8530 -24.6192 -24.6192 -21.5844 -21.5844 -21.4088 -21.4088 11.2135 11.2135 12.0403 12.0403 13.0833 13.0833 16.0955 16.0955 16.1786 16.1786 17.1962 17.1962 17.9923 17.9923 19.5617 19.5617 23.7035 23.7035 24.4107 24.4107 29.2721 29.2721 k = 0.3338 0.5857 0.2928 ( 2518 PWs) bands (ev): -51.8528 -51.8528 -24.6200 -24.6200 -21.5854 -21.5854 -21.4100 -21.4100 11.2472 11.2472 12.1088 12.1088 12.9974 12.9974 16.0781 16.0781 16.1530 16.1530 17.1790 17.1790 18.0356 18.0356 19.5611 19.5611 23.8198 23.8198 24.3423 24.3423 29.1915 29.1915 k = 0.3290 0.5928 0.3014 ( 2518 PWs) bands (ev): -51.8525 -51.8525 -24.6208 -24.6208 -21.5864 -21.5864 -21.4111 -21.4111 11.2821 11.2821 12.1653 12.1653 12.9217 12.9217 16.0492 16.0492 16.1398 16.1398 17.1611 17.1611 18.0810 18.0810 19.5640 19.5640 23.9371 23.9371 24.2793 24.2793 29.1140 29.1140 k = 0.3241 0.5999 0.3100 ( 2516 PWs) bands (ev): -51.8523 -51.8523 -24.6216 -24.6216 -21.5873 -21.5873 -21.4121 -21.4121 11.3182 11.3182 12.2011 12.2011 12.8650 12.8650 16.0151 16.0151 16.1325 16.1325 17.1423 17.1423 18.1286 18.1286 19.5703 19.5703 24.0553 24.0553 24.2219 24.2219 29.0398 29.0398 k = 0.3192 0.6070 0.3186 ( 2520 PWs) bands (ev): -51.8520 -51.8520 -24.6223 -24.6223 -21.5883 -21.5883 -21.4131 -21.4131 11.3556 11.3556 12.2054 12.2054 12.8383 12.8383 15.9805 15.9805 16.1263 16.1263 17.1228 17.1228 18.1782 18.1782 19.5799 19.5799 24.1648 24.1648 24.1797 24.1797 28.9689 28.9689 k = 0.3143 0.6141 0.3272 ( 2516 PWs) bands (ev): -51.8518 -51.8518 -24.6229 -24.6229 -21.5891 -21.5891 -21.4139 -21.4139 11.3942 11.3942 12.1725 12.1725 12.8476 12.8476 15.9469 15.9469 16.1192 16.1192 17.1025 17.1025 18.2300 18.2300 19.5924 19.5924 24.1233 24.1233 24.2954 24.2954 28.9011 28.9011 k = 0.3094 0.6212 0.3358 ( 2516 PWs) bands (ev): -51.8516 -51.8516 -24.6235 -24.6235 -21.5899 -21.5899 -21.4147 -21.4147 11.4342 11.4342 12.1074 12.1074 12.8881 12.8881 15.9150 15.9150 16.1105 16.1105 17.0814 17.0814 18.2839 18.2839 19.6076 19.6076 24.0835 24.0835 24.4166 24.4166 28.8367 28.8367 k = 0.3094 0.6212 0.3358 ( 2516 PWs) bands (ev): -51.8516 -51.8516 -24.6235 -24.6235 -21.5899 -21.5899 -21.4147 -21.4147 11.4342 11.4342 12.1074 12.1074 12.8881 12.8881 15.9150 15.9150 16.1105 16.1105 17.0814 17.0814 18.2839 18.2839 19.6076 19.6076 24.0835 24.0835 24.4166 24.4166 28.8367 28.8367 k = 0.2984 0.6181 0.3395 ( 2516 PWs) bands (ev): -51.8515 -51.8515 -24.6238 -24.6238 -21.5903 -21.5903 -21.4150 -21.4150 11.4469 11.4469 12.0725 12.0725 12.9176 12.9176 15.9015 15.9015 16.1067 16.1067 17.0721 17.0721 18.3047 18.3047 19.6173 19.6173 24.0701 24.0701 24.4695 24.4695 28.8118 28.8118 k = 0.2873 0.6150 0.3433 ( 2516 PWs) bands (ev): -51.8514 -51.8514 -24.6240 -24.6240 -21.5906 -21.5906 -21.4152 -21.4152 11.4503 11.4503 12.0368 12.0368 12.9587 12.9587 15.8877 15.8877 16.1038 16.1038 17.0628 17.0628 18.3194 18.3194 19.6317 19.6317 24.0625 24.0625 24.5223 24.5223 28.7921 28.7921 k = 0.2763 0.6119 0.3470 ( 2515 PWs) bands (ev): -51.8514 -51.8514 -24.6242 -24.6242 -21.5909 -21.5909 -21.4155 -21.4155 11.4445 11.4445 12.0021 12.0021 13.0093 13.0093 15.8737 15.8737 16.1016 16.1016 17.0538 17.0538 18.3281 18.3281 19.6504 19.6504 24.0612 24.0612 24.5744 24.5744 28.7779 28.7779 k = 0.2652 0.6089 0.3508 ( 2518 PWs) bands (ev): -51.8513 -51.8513 -24.6244 -24.6244 -21.5911 -21.5911 -21.4157 -21.4157 11.4303 11.4303 11.9700 11.9700 13.0671 13.0671 15.8594 15.8594 16.1001 16.1001 17.0450 17.0450 18.3312 18.3312 19.6725 19.6725 24.0665 24.0665 24.6253 24.6253 28.7695 28.7695 k = 0.2542 0.6058 0.3545 ( 2518 PWs) bands (ev): -51.8512 -51.8512 -24.6246 -24.6246 -21.5914 -21.5914 -21.4160 -21.4160 11.4085 11.4085 11.9415 11.9415 13.1303 13.1303 15.8449 15.8449 16.0993 16.0993 17.0365 17.0365 18.3292 18.3292 19.6972 19.6972 24.0790 24.0790 24.6746 24.6746 28.7672 28.7672 k = 0.2431 0.6027 0.3582 ( 2516 PWs) bands (ev): -51.8512 -51.8512 -24.6248 -24.6248 -21.5916 -21.5916 -21.4162 -21.4162 11.3799 11.3799 11.9170 11.9170 13.1973 13.1973 15.8303 15.8303 16.0990 16.0990 17.0284 17.0284 18.3224 18.3224 19.7238 19.7238 24.0990 24.0990 24.7218 24.7218 28.7712 28.7712 k = 0.2321 0.5996 0.3620 ( 2510 PWs) bands (ev): -51.8511 -51.8511 -24.6249 -24.6249 -21.5918 -21.5918 -21.4163 -21.4163 11.3460 11.3460 11.8966 11.8966 13.2669 13.2669 15.8156 15.8156 16.0993 16.0993 17.0208 17.0208 18.3114 18.3114 19.7515 19.7515 24.1269 24.1269 24.7666 24.7666 28.7816 28.7816 k = 0.2210 0.5965 0.3657 ( 2509 PWs) bands (ev): -51.8510 -51.8510 -24.6250 -24.6250 -21.5919 -21.5919 -21.4165 -21.4165 11.3081 11.3081 11.8799 11.8799 13.3378 13.3378 15.8009 15.8009 16.1003 16.1003 17.0136 17.0136 18.2966 18.2966 19.7796 19.7796 24.1630 24.1630 24.8086 24.8086 28.7984 28.7984 k = 0.2100 0.5935 0.3694 ( 2514 PWs) bands (ev): -51.8510 -51.8510 -24.6252 -24.6252 -21.5921 -21.5921 -21.4166 -21.4166 11.2674 11.2674 11.8663 11.8663 13.4093 13.4093 15.7863 15.7863 16.1019 16.1019 17.0069 17.0069 18.2785 18.2785 19.8074 19.8074 24.2075 24.2075 24.8476 24.8476 28.8215 28.8215 k = 0.1989 0.5904 0.3732 ( 2510 PWs) bands (ev): -51.8509 -51.8509 -24.6253 -24.6253 -21.5922 -21.5922 -21.4168 -21.4168 11.2250 11.2250 11.8553 11.8553 13.4805 13.4805 15.7717 15.7717 16.1041 16.1041 17.0008 17.0008 18.2574 18.2574 19.8345 19.8345 24.2605 24.2605 24.8835 24.8835 28.8508 28.8508 k = 0.1879 0.5873 0.3769 ( 2512 PWs) bands (ev): -51.8509 -51.8509 -24.6254 -24.6254 -21.5924 -21.5924 -21.4169 -21.4169 11.1820 11.1820 11.8464 11.8464 13.5507 13.5507 15.7574 15.7574 16.1072 16.1072 16.9951 16.9951 18.2338 18.2338 19.8604 19.8604 24.3221 24.3221 24.9162 24.9162 28.8857 28.8857 k = 0.1768 0.5842 0.3807 ( 2519 PWs) bands (ev): -51.8509 -51.8509 -24.6255 -24.6255 -21.5925 -21.5925 -21.4170 -21.4170 11.1392 11.1392 11.8393 11.8393 13.6195 13.6195 15.7434 15.7434 16.1110 16.1110 16.9900 16.9900 18.2080 18.2080 19.8849 19.8849 24.3922 24.3922 24.9456 24.9456 28.9257 28.9257 k = 0.1658 0.5812 0.3844 ( 2525 PWs) bands (ev): -51.8508 -51.8508 -24.6256 -24.6256 -21.5927 -21.5927 -21.4171 -21.4171 11.0971 11.0971 11.8336 11.8336 13.6862 13.6862 15.7298 15.7298 16.1156 16.1156 16.9853 16.9853 18.1803 18.1803 19.9078 19.9078 24.4707 24.4707 24.9719 24.9719 28.9689 28.9689 k = 0.1547 0.5781 0.3881 ( 2525 PWs) bands (ev): -51.8508 -51.8508 -24.6257 -24.6257 -21.5928 -21.5928 -21.4172 -21.4172 11.0563 11.0563 11.8291 11.8291 13.7504 13.7504 15.7166 15.7166 16.1212 16.1212 16.9811 16.9811 18.1512 18.1512 19.9290 19.9290 24.5574 24.5574 24.9953 24.9953 28.9863 28.9863 k = 0.1437 0.5750 0.3919 ( 2523 PWs) bands (ev): -51.8508 -51.8508 -24.6258 -24.6258 -21.5929 -21.5929 -21.4173 -21.4173 11.0172 11.0172 11.8254 11.8254 13.8117 13.8117 15.7039 15.7039 16.1276 16.1276 16.9774 16.9774 18.1209 18.1209 19.9484 19.9484 24.6520 24.6520 25.0161 25.0161 28.8378 28.8378 k = 0.1326 0.5719 0.3956 ( 2525 PWs) bands (ev): -51.8507 -51.8507 -24.6258 -24.6258 -21.5929 -21.5929 -21.4173 -21.4173 10.9802 10.9802 11.8225 11.8225 13.8698 13.8698 15.6918 15.6918 16.1350 16.1350 16.9741 16.9741 18.0898 18.0898 19.9659 19.9659 24.7536 24.7536 25.0348 25.0348 28.6624 28.6624 k = 0.1216 0.5688 0.3994 ( 2525 PWs) bands (ev): -51.8507 -51.8507 -24.6259 -24.6259 -21.5930 -21.5930 -21.4174 -21.4174 10.9454 10.9454 11.8203 11.8203 13.9242 13.9242 15.6805 15.6805 16.1431 16.1431 16.9712 16.9712 18.0583 18.0583 19.9817 19.9817 24.8606 24.8606 25.0532 25.0532 28.4829 28.4829 k = 0.1105 0.5658 0.4031 ( 2527 PWs) bands (ev): -51.8507 -51.8507 -24.6260 -24.6260 -21.5931 -21.5931 -21.4174 -21.4174 10.9131 10.9131 11.8185 11.8185 13.9748 13.9748 15.6698 15.6698 16.1520 16.1520 16.9687 16.9687 18.0270 18.0270 19.9958 19.9958 24.9661 24.9661 25.0780 25.0780 28.3011 28.3011 k = 0.0995 0.5627 0.4068 ( 2523 PWs) bands (ev): -51.8507 -51.8507 -24.6260 -24.6260 -21.5931 -21.5931 -21.4174 -21.4174 10.8835 10.8835 11.8172 11.8172 14.0212 14.0212 15.6600 15.6600 16.1615 16.1615 16.9665 16.9665 17.9962 17.9962 20.0083 20.0083 25.0361 25.0361 25.1432 25.1432 28.1180 28.1180 k = 0.0884 0.5596 0.4106 ( 2522 PWs) bands (ev): -51.8506 -51.8506 -24.6260 -24.6260 -21.5932 -21.5932 -21.4175 -21.4175 10.8567 10.8567 11.8161 11.8161 14.0631 14.0631 15.6511 15.6511 16.1713 16.1713 16.9646 16.9646 17.9666 17.9666 20.0192 20.0192 25.0596 25.0596 25.2595 25.2595 27.9341 27.9341 k = 0.0774 0.5565 0.4143 ( 2524 PWs) bands (ev): -51.8506 -51.8506 -24.6261 -24.6261 -21.5932 -21.5932 -21.4175 -21.4175 10.8328 10.8328 11.8154 11.8154 14.1005 14.1005 15.6431 15.6431 16.1812 16.1812 16.9631 16.9631 17.9385 17.9385 20.0286 20.0286 25.0707 25.0707 25.3928 25.3928 27.7501 27.7501 k = 0.0663 0.5535 0.4180 ( 2521 PWs) bands (ev): -51.8506 -51.8506 -24.6261 -24.6261 -21.5932 -21.5932 -21.4175 -21.4175 10.8120 10.8120 11.8148 11.8148 14.1332 14.1332 15.6360 15.6360 16.1908 16.1908 16.9618 16.9618 17.9126 17.9126 20.0367 20.0367 25.0779 25.0779 25.5343 25.5343 27.5665 27.5665 k = 0.0553 0.5504 0.4218 ( 2523 PWs) bands (ev): -51.8506 -51.8506 -24.6261 -24.6261 -21.5933 -21.5933 -21.4175 -21.4175 10.7942 10.7942 11.8145 11.8145 14.1610 14.1610 15.6300 15.6300 16.1999 16.1999 16.9608 16.9608 17.8895 17.8895 20.0433 20.0433 25.0829 25.0829 25.6821 25.6821 27.3837 27.3837 k = 0.0442 0.5473 0.4255 ( 2517 PWs) bands (ev): -51.8506 -51.8506 -24.6261 -24.6261 -21.5932 -21.5932 -21.4175 -21.4175 10.7796 10.7796 11.8142 11.8142 14.1838 14.1838 15.6250 15.6250 16.2079 16.2079 16.9600 16.9600 17.8697 17.8697 20.0487 20.0487 25.0866 25.0866 25.8352 25.8352 27.2022 27.2022 k = 0.0332 0.5442 0.4293 ( 2523 PWs) bands (ev): -51.8506 -51.8506 -24.6261 -24.6261 -21.5933 -21.5933 -21.4176 -21.4176 10.7682 10.7682 11.8140 11.8140 14.2016 14.2016 15.6211 15.6211 16.2147 16.2147 16.9593 16.9593 17.8536 17.8536 20.0529 20.0529 25.0892 25.0892 25.9930 25.9930 27.0224 27.0224 k = 0.0221 0.5411 0.4330 ( 2516 PWs) bands (ev): -51.8506 -51.8506 -24.6261 -24.6261 -21.5933 -21.5933 -21.4176 -21.4176 10.7600 10.7600 11.8139 11.8139 14.2144 14.2144 15.6183 15.6183 16.2198 16.2198 16.9589 16.9589 17.8419 17.8419 20.0558 20.0558 25.0909 25.0909 26.1546 26.1546 26.8451 26.8451 k = 0.0111 0.5381 0.4367 ( 2516 PWs) bands (ev): -51.8506 -51.8506 -24.6261 -24.6261 -21.5933 -21.5933 -21.4176 -21.4176 10.7551 10.7551 11.8139 11.8139 14.2220 14.2220 15.6166 15.6166 16.2229 16.2229 16.9587 16.9587 17.8347 17.8347 20.0575 20.0575 25.0919 25.0919 26.3186 26.3186 26.6717 26.6717 k = 0.0000 0.5350 0.4405 ( 2516 PWs) bands (ev): -51.8506 -51.8506 -24.6261 -24.6261 -21.5933 -21.5933 -21.4176 -21.4176 10.7535 10.7535 11.8139 11.8139 14.2246 14.2246 15.6160 15.6160 16.2240 16.2240 16.9586 16.9586 17.8322 17.8322 20.0581 20.0581 25.0922 25.0922 26.4515 26.4515 26.5357 26.5357 k = 0.0000 0.5350 0.4405 ( 2516 PWs) bands (ev): -51.8506 -51.8506 -24.6261 -24.6261 -21.5933 -21.5933 -21.4176 -21.4176 10.7535 10.7535 11.8139 11.8139 14.2246 14.2246 15.6160 15.6160 16.2240 16.2240 16.9586 16.9586 17.8322 17.8322 20.0581 20.0581 25.0922 25.0922 26.4515 26.4515 26.5357 26.5357 k = 0.0049 0.5279 0.4491 ( 2516 PWs) bands (ev): -51.8506 -51.8506 -24.6261 -24.6261 -21.5933 -21.5933 -21.4177 -21.4177 10.7549 10.7549 11.8135 11.8135 14.2266 14.2266 15.6112 15.6112 16.2235 16.2235 16.9561 16.9561 17.8409 17.8409 20.0581 20.0581 25.0853 25.0853 26.4442 26.4442 26.5361 26.5361 k = 0.0098 0.5208 0.4577 ( 2518 PWs) bands (ev): -51.8505 -51.8505 -24.6262 -24.6262 -21.5932 -21.5932 -21.4180 -21.4180 10.7592 10.7592 11.8125 11.8125 14.2325 14.2325 15.5970 15.5970 16.2219 16.2219 16.9493 16.9493 17.8662 17.8662 20.0582 20.0582 25.0650 25.0650 26.4230 26.4230 26.5368 26.5368 k = 0.0147 0.5137 0.4664 ( 2516 PWs) bands (ev): -51.8505 -51.8505 -24.6264 -24.6264 -21.5931 -21.5931 -21.4185 -21.4185 10.7664 10.7664 11.8107 11.8107 14.2424 14.2424 15.5737 15.5737 16.2193 16.2193 16.9393 16.9393 17.9068 17.9068 20.0583 20.0583 25.0316 25.0316 26.3890 26.3890 26.5372 26.5372 k = 0.0196 0.5065 0.4750 ( 2514 PWs) bands (ev): -51.8504 -51.8504 -24.6266 -24.6266 -21.5930 -21.5930 -21.4193 -21.4193 10.7764 10.7764 11.8083 11.8083 14.2563 14.2563 15.5417 15.5417 16.2158 16.2158 16.9275 16.9275 17.9604 17.9604 20.0584 20.0584 24.9858 24.9858 26.3433 26.3433 26.5368 26.5368 k = 0.0245 0.4994 0.4837 ( 2512 PWs) bands (ev): -51.8503 -51.8503 -24.6268 -24.6268 -21.5928 -21.5928 -21.4202 -21.4202 10.7893 10.7893 11.8052 11.8052 14.2741 14.2741 15.5016 15.5016 16.2111 16.2111 16.9156 16.9156 18.0251 18.0251 20.0585 20.0585 24.9285 24.9285 26.2870 26.2870 26.5355 26.5355 k = 0.0294 0.4923 0.4923 ( 2516 PWs) bands (ev): -51.8502 -51.8502 -24.6271 -24.6271 -21.5927 -21.5927 -21.4214 -21.4214 10.8050 10.8050 11.8014 11.8014 14.2958 14.2958 15.4544 15.4544 16.2055 16.2055 16.9047 16.9047 18.0988 18.0988 20.0586 20.0586 24.8606 24.8606 26.2214 26.2214 26.5330 26.5330 k = 0.0343 0.4852 0.5009 ( 2518 PWs) bands (ev): -51.8501 -51.8501 -24.6275 -24.6275 -21.5925 -21.5925 -21.4228 -21.4228 10.8235 10.8235 11.7969 11.7969 14.3214 14.3214 15.4007 15.4007 16.1989 16.1989 16.8956 16.8956 18.1799 18.1799 20.0587 20.0587 24.7833 24.7833 26.1475 26.1475 26.5291 26.5291 k = 0.0392 0.4781 0.5096 ( 2518 PWs) bands (ev): -51.8499 -51.8499 -24.6279 -24.6279 -21.5922 -21.5922 -21.4244 -21.4244 10.8448 10.8448 11.7918 11.7918 14.3507 14.3507 15.3415 15.3415 16.1913 16.1913 16.8888 16.8888 18.2668 18.2668 20.0588 20.0588 24.6976 24.6976 26.0667 26.0667 26.5238 26.5238 k = 0.0441 0.4710 0.5182 ( 2518 PWs) bands (ev): -51.8498 -51.8498 -24.6284 -24.6284 -21.5920 -21.5920 -21.4261 -21.4261 10.8688 10.8688 11.7861 11.7861 14.3839 14.3839 15.2777 15.2777 16.1826 16.1826 16.8846 16.8846 18.3585 18.3585 20.0589 20.0589 24.6046 24.6046 25.9800 25.9800 26.5170 26.5170 k = 0.0490 0.4639 0.5268 ( 2522 PWs) bands (ev): -51.8496 -51.8496 -24.6289 -24.6289 -21.5917 -21.5917 -21.4281 -21.4281 10.8955 10.8955 11.7797 11.7797 14.4207 14.4207 15.2102 15.2102 16.1729 16.1729 16.8831 16.8831 18.4540 18.4540 20.0590 20.0590 24.5054 24.5054 25.8886 25.8886 26.5086 26.5086 k = 0.0539 0.4568 0.5355 ( 2522 PWs) bands (ev): -51.8494 -51.8494 -24.6295 -24.6295 -21.5914 -21.5914 -21.4302 -21.4302 10.9248 10.9248 11.7727 11.7727 14.4611 14.4611 15.1397 15.1397 16.1620 16.1620 16.8843 16.8843 18.5524 18.5524 20.0589 20.0589 24.4008 24.4008 25.7934 25.7934 26.4985 26.4985 k = 0.0588 0.4497 0.5441 ( 2522 PWs) bands (ev): -51.8492 -51.8492 -24.6301 -24.6301 -21.5910 -21.5910 -21.4325 -21.4325 10.9568 10.9568 11.7652 11.7652 14.5048 14.5048 15.0672 15.0672 16.1501 16.1501 16.8881 16.8881 18.6532 18.6532 20.0589 20.0589 24.2918 24.2918 25.6954 25.6954 26.4869 26.4869 k = 0.0637 0.4426 0.5527 ( 2518 PWs) bands (ev): -51.8489 -51.8489 -24.6307 -24.6307 -21.5906 -21.5906 -21.4349 -21.4349 10.9914 10.9914 11.7571 11.7571 14.5515 14.5515 14.9934 14.9934 16.1370 16.1370 16.8944 16.8944 18.7556 18.7556 20.0587 20.0587 24.1792 24.1792 25.5952 25.5952 26.4736 26.4736 k = 0.0686 0.4354 0.5614 ( 2514 PWs) bands (ev): -51.8487 -51.8487 -24.6314 -24.6314 -21.5902 -21.5902 -21.4374 -21.4374 11.0284 11.0284 11.7485 11.7485 14.6004 14.6004 14.9197 14.9197 16.1228 16.1228 16.9032 16.9032 18.8593 18.8593 20.0584 20.0584 24.0638 24.0638 25.4938 25.4938 26.4587 26.4587 k = 0.0735 0.4283 0.5700 ( 2510 PWs) bands (ev): -51.8484 -51.8484 -24.6321 -24.6321 -21.5898 -21.5898 -21.4401 -21.4401 11.0680 11.0680 11.7394 11.7394 14.6487 14.6487 14.8490 14.8490 16.1075 16.1075 16.9143 16.9143 18.9636 18.9636 20.0580 20.0580 23.9463 23.9463 25.3917 25.3917 26.4423 26.4423 k = 0.0784 0.4212 0.5787 ( 2514 PWs) bands (ev): -51.8482 -51.8482 -24.6329 -24.6329 -21.5894 -21.5894 -21.4429 -21.4429 11.1099 11.1099 11.7298 11.7298 14.6819 14.6819 14.7964 14.7964 16.0912 16.0912 16.9276 16.9276 19.0682 19.0682 20.0575 20.0575 23.8273 23.8273 25.2896 25.2896 26.4244 26.4244 k = 0.0833 0.4141 0.5873 ( 2512 PWs) bands (ev): -51.8479 -51.8479 -24.6337 -24.6337 -21.5890 -21.5890 -21.4458 -21.4458 11.1542 11.1542 11.7198 11.7198 14.6540 14.6540 14.8077 14.8077 16.0738 16.0738 16.9430 16.9430 19.1727 19.1727 20.0567 20.0567 23.7073 23.7073 25.1880 25.1880 26.4052 26.4052 k = 0.0882 0.4070 0.5959 ( 2512 PWs) bands (ev): -51.8476 -51.8476 -24.6346 -24.6346 -21.5886 -21.5886 -21.4488 -21.4488 11.2008 11.2008 11.7094 11.7094 14.5882 14.5882 14.8600 14.8600 16.0557 16.0557 16.9606 16.9606 19.2766 19.2766 20.0557 20.0557 23.5870 23.5870 25.0876 25.0876 26.3846 26.3846 k = 0.0931 0.3999 0.6046 ( 2510 PWs) bands (ev): -51.8473 -51.8473 -24.6354 -24.6354 -21.5881 -21.5881 -21.4519 -21.4519 11.2496 11.2496 11.6986 11.6986 14.5155 14.5155 14.9220 14.9220 16.0369 16.0369 16.9801 16.9801 19.3796 19.3796 20.0545 20.0545 23.4666 23.4666 24.9890 24.9890 26.3628 26.3628 k = 0.0980 0.3928 0.6132 ( 2512 PWs) bands (ev): -51.8470 -51.8470 -24.6363 -24.6363 -21.5877 -21.5877 -21.4551 -21.4551 11.3005 11.3005 11.6875 11.6875 14.4416 14.4416 14.9879 14.9879 16.0180 16.0180 17.0015 17.0015 19.4812 19.4812 20.0530 20.0530 23.3467 23.3467 24.8926 24.8926 26.3398 26.3398 k = 0.1029 0.3857 0.6218 ( 2514 PWs) bands (ev): -51.8467 -51.8467 -24.6373 -24.6373 -21.5873 -21.5873 -21.4583 -21.4583 11.3535 11.3535 11.6762 11.6762 14.3680 14.3680 15.0557 15.0557 15.9994 15.9994 17.0247 17.0247 19.5810 19.5810 20.0512 20.0512 23.2276 23.2276 24.7990 24.7990 26.3158 26.3158 k = 0.1078 0.3786 0.6305 ( 2518 PWs) bands (ev): -51.8463 -51.8463 -24.6382 -24.6382 -21.5869 -21.5869 -21.4616 -21.4616 11.4085 11.4085 11.6646 11.6646 14.2952 14.2952 15.1239 15.1239 15.9820 15.9820 17.0497 17.0497 19.6786 19.6786 20.0491 20.0491 23.1095 23.1095 24.7088 24.7088 26.2908 26.2908 k = 0.1127 0.3714 0.6391 ( 2516 PWs) bands (ev): -51.8460 -51.8460 -24.6391 -24.6391 -21.5864 -21.5864 -21.4648 -21.4648 11.4653 11.4653 11.6530 11.6530 14.2235 14.2235 15.1909 15.1909 15.9672 15.9672 17.0764 17.0764 19.7734 19.7734 20.0466 20.0466 22.9929 22.9929 24.6226 24.6226 26.2649 26.2649 k = 0.1176 0.3643 0.6477 ( 2514 PWs) bands (ev): -51.8457 -51.8457 -24.6401 -24.6401 -21.5860 -21.5860 -21.4681 -21.4681 11.5239 11.5239 11.6413 11.6413 14.1534 14.1534 15.2544 15.2544 15.9571 15.9571 17.1048 17.1048 19.8649 19.8649 20.0438 20.0438 22.8779 22.8779 24.5409 24.5409 26.2381 26.2381 k = 0.1225 0.3572 0.6564 ( 2512 PWs) bands (ev): -51.8453 -51.8453 -24.6411 -24.6411 -21.5856 -21.5856 -21.4714 -21.4714 11.5830 11.5830 11.6307 11.6307 14.0848 14.0848 15.3112 15.3112 15.9545 15.9545 17.1347 17.1347 19.9521 19.9521 20.0412 20.0412 22.7647 22.7647 24.4645 24.4645 26.2107 26.2107 k = 0.1275 0.3501 0.6650 ( 2510 PWs) bands (ev): -51.8450 -51.8450 -24.6420 -24.6420 -21.5852 -21.5852 -21.4746 -21.4746 11.6131 11.6131 11.6508 11.6508 14.0179 14.0179 15.3575 15.3575 15.9632 15.9632 17.1661 17.1661 20.0226 20.0226 20.0505 20.0505 22.6535 22.6535 24.3940 24.3940 26.1826 26.1826 k = 0.1324 0.3430 0.6737 ( 2502 PWs) bands (ev): -51.8447 -51.8447 -24.6430 -24.6430 -21.5848 -21.5848 -21.4778 -21.4778 11.6030 11.6030 11.7126 11.7126 13.9530 13.9530 15.3892 15.3892 15.9869 15.9869 17.1988 17.1988 20.0277 20.0277 20.1200 20.1200 22.5446 22.5446 24.3300 24.3300 26.1540 26.1540 k = 0.1373 0.3359 0.6823 ( 2504 PWs) bands (ev): -51.8443 -51.8443 -24.6439 -24.6439 -21.5845 -21.5845 -21.4810 -21.4810 11.5913 11.5913 11.7775 11.7775 13.8901 13.8901 15.4042 15.4042 16.0278 16.0278 17.2329 17.2329 20.0229 20.0229 20.1932 20.1932 22.4380 22.4380 24.2732 24.2732 26.1250 26.1250 k = 0.1422 0.3288 0.6909 ( 2498 PWs) bands (ev): -51.8440 -51.8440 -24.6449 -24.6449 -21.5842 -21.5842 -21.4841 -21.4841 11.5795 11.5795 11.8441 11.8441 13.8293 13.8293 15.4028 15.4028 16.0853 16.0853 17.2681 17.2681 20.0167 20.0167 20.2614 20.2614 22.3339 22.3339 24.2242 24.2242 26.0957 26.0957 k = 0.1471 0.3217 0.6996 ( 2502 PWs) bands (ev): -51.8437 -51.8437 -24.6459 -24.6459 -21.5839 -21.5839 -21.4872 -21.4872 11.5677 11.5677 11.9120 11.9120 13.7706 13.7706 15.3874 15.3874 16.1567 16.1567 17.3045 17.3045 20.0094 20.0094 20.3235 20.3235 22.2324 22.2324 24.1838 24.1838 26.0661 26.0661 k = 0.1520 0.3146 0.7082 ( 2504 PWs) bands (ev): -51.8434 -51.8434 -24.6468 -24.6468 -21.5837 -21.5837 -21.4901 -21.4901 11.5561 11.5561 11.9811 11.9811 13.7143 13.7143 15.3611 15.3611 16.2389 16.2389 17.3417 17.3417 20.0009 20.0009 20.3790 20.3790 22.1335 22.1335 24.1525 24.1525 26.0364 26.0364 k = 0.1569 0.3074 0.7168 ( 2504 PWs) bands (ev): -51.8431 -51.8431 -24.6477 -24.6477 -21.5834 -21.5834 -21.4930 -21.4930 11.5446 11.5446 12.0513 12.0513 13.6602 13.6602 15.3265 15.3265 16.3291 16.3291 17.3798 17.3798 19.9913 19.9913 20.4275 20.4275 22.0375 22.0375 24.1308 24.1308 26.0067 26.0067 k = 0.1618 0.3003 0.7255 ( 2506 PWs) bands (ev): -51.8428 -51.8428 -24.6487 -24.6487 -21.5833 -21.5833 -21.4958 -21.4958 11.5335 11.5335 12.1223 12.1223 13.6086 13.6086 15.2856 15.2856 16.4251 16.4251 17.4185 17.4185 19.9803 19.9803 20.4688 20.4688 21.9445 21.9445 24.1192 24.1192 25.9771 25.9771 k = 0.1667 0.2932 0.7341 ( 2504 PWs) bands (ev): -51.8425 -51.8425 -24.6495 -24.6495 -21.5831 -21.5831 -21.4984 -21.4984 11.5226 11.5226 12.1940 12.1940 13.5595 13.5595 15.2398 15.2398 16.5252 16.5252 17.4577 17.4577 19.9678 19.9678 20.5028 20.5028 21.8545 21.8545 24.1180 24.1180 25.9476 25.9476 k = 0.1716 0.2861 0.7428 ( 2506 PWs) bands (ev): -51.8422 -51.8422 -24.6504 -24.6504 -21.5830 -21.5830 -21.5009 -21.5009 11.5122 11.5122 12.2663 12.2663 13.5129 13.5129 15.1902 15.1902 16.6283 16.6283 17.4972 17.4972 19.9536 19.9536 20.5295 20.5295 21.7678 21.7678 24.1272 24.1272 25.9185 25.9185 k = 0.1765 0.2790 0.7514 ( 2504 PWs) bands (ev): -51.8419 -51.8419 -24.6512 -24.6512 -21.5829 -21.5829 -21.5033 -21.5033 11.5021 11.5021 12.3389 12.3389 13.4689 13.4689 15.1375 15.1375 16.7334 16.7334 17.5367 17.5367 19.9377 19.9377 20.5492 20.5492 21.6845 21.6845 24.1469 24.1469 25.8899 25.8899 k = 0.1814 0.2719 0.7600 ( 2504 PWs) bands (ev): -51.8416 -51.8416 -24.6520 -24.6520 -21.5829 -21.5829 -21.5055 -21.5055 11.4925 11.4925 12.4116 12.4116 13.4275 13.4275 15.0824 15.0824 16.8395 16.8395 17.5761 17.5761 19.9198 19.9198 20.5622 20.5622 21.6048 21.6048 24.1768 24.1768 25.8619 25.8619 k = 0.1863 0.2648 0.7687 ( 2504 PWs) bands (ev): -51.8414 -51.8414 -24.6527 -24.6527 -21.5829 -21.5829 -21.5076 -21.5076 11.4833 11.4833 12.4841 12.4841 13.3888 13.3888 15.0255 15.0255 16.9458 16.9458 17.6152 17.6152 19.8998 19.8998 20.5692 20.5692 21.5291 21.5291 24.2167 24.2167 25.8346 25.8346 k = 0.1912 0.2577 0.7773 ( 2502 PWs) bands (ev): -51.8412 -51.8412 -24.6534 -24.6534 -21.5829 -21.5829 -21.5095 -21.5095 11.4747 11.4747 12.5562 12.5562 13.3528 13.3528 14.9674 14.9674 17.0516 17.0516 17.6536 17.6536 19.8777 19.8777 20.5707 20.5707 21.4574 21.4574 24.2662 24.2662 25.8082 25.8082 k = 0.1961 0.2506 0.7859 ( 2508 PWs) bands (ev): -51.8410 -51.8410 -24.6541 -24.6541 -21.5830 -21.5830 -21.5113 -21.5113 11.4667 11.4667 12.6274 12.6274 13.3195 13.3195 14.9084 14.9084 17.1559 17.1559 17.6912 17.6912 19.8533 19.8533 20.5676 20.5676 21.3902 21.3902 24.3246 24.3246 25.7828 25.7828 k = 0.2010 0.2435 0.7946 ( 2510 PWs) bands (ev): -51.8408 -51.8408 -24.6547 -24.6547 -21.5831 -21.5831 -21.5129 -21.5129 11.4592 11.4592 12.6973 12.6973 13.2891 13.2891 14.8494 14.8494 17.2579 17.2579 17.7276 17.7276 19.8268 19.8268 20.5608 20.5608 21.3278 21.3278 24.3913 24.3913 25.7587 25.7587 k = 0.2059 0.2363 0.8032 ( 2512 PWs) bands (ev): -51.8406 -51.8406 -24.6553 -24.6553 -21.5832 -21.5832 -21.5143 -21.5143 11.4524 11.4524 12.7653 12.7653 13.2614 13.2614 14.7908 14.7908 17.3563 17.3563 17.7628 17.7628 19.7983 19.7983 20.5510 20.5510 21.2705 21.2705 24.4656 24.4656 25.7361 25.7361 k = 0.2108 0.2292 0.8118 ( 2514 PWs) bands (ev): -51.8404 -51.8404 -24.6558 -24.6558 -21.5833 -21.5833 -21.5156 -21.5156 11.4462 11.4462 12.8309 12.8309 13.2366 13.2366 14.7335 14.7335 17.4501 17.4501 17.7964 17.7964 19.7681 19.7681 20.5393 20.5393 21.2185 21.2185 24.5469 24.5469 25.7150 25.7150 k = 0.2157 0.2221 0.8205 ( 2514 PWs) bands (ev): -51.8403 -51.8403 -24.6563 -24.6563 -21.5834 -21.5834 -21.5167 -21.5167 11.4406 11.4406 12.8933 12.8933 13.2146 13.2146 14.6783 14.6783 17.5375 17.5375 17.8284 17.8284 19.7370 19.7370 20.5265 20.5265 21.1722 21.1722 24.6343 24.6343 25.6959 25.6959 k = 0.2206 0.2150 0.8291 ( 2518 PWs) bands (ev): -51.8401 -51.8401 -24.6567 -24.6567 -21.5836 -21.5836 -21.5177 -21.5177 11.4358 11.4358 12.9514 12.9514 13.1956 13.1956 14.6261 14.6261 17.6169 17.6169 17.8589 17.8589 19.7056 19.7056 20.5134 20.5134 21.1318 21.1318 24.7269 24.7269 25.6787 25.6787 k = 0.2255 0.2079 0.8378 ( 2516 PWs) bands (ev): -51.8400 -51.8400 -24.6570 -24.6570 -21.5837 -21.5837 -21.5185 -21.5185 11.4317 11.4317 13.0042 13.0042 13.1794 13.1794 14.5783 14.5783 17.6862 17.6862 17.8880 17.8880 19.6752 19.6752 20.5008 20.5008 21.0974 21.0974 24.8238 24.8238 25.6638 25.6638 k = 0.2304 0.2008 0.8464 ( 2518 PWs) bands (ev): -51.8399 -51.8399 -24.6573 -24.6573 -21.5838 -21.5838 -21.5192 -21.5192 11.4283 11.4283 13.0504 13.0504 13.1662 13.1662 14.5362 14.5362 17.7431 17.7431 17.9157 17.9157 19.6470 19.6470 20.4895 20.4895 21.0693 21.0693 24.9235 24.9235 25.6513 25.6513 k = 0.2353 0.1937 0.8550 ( 2524 PWs) bands (ev): -51.8398 -51.8398 -24.6576 -24.6576 -21.5839 -21.5839 -21.5197 -21.5197 11.4256 11.4256 13.0885 13.0885 13.1558 13.1558 14.5012 14.5012 17.7864 17.7864 17.9414 17.9414 19.6227 19.6227 20.4800 20.4800 21.0473 21.0473 25.0237 25.0237 25.6414 25.6414 k = 0.2402 0.1866 0.8637 ( 2530 PWs) bands (ev): -51.8398 -51.8398 -24.6577 -24.6577 -21.5840 -21.5840 -21.5201 -21.5201 11.4237 11.4237 13.1170 13.1170 13.1485 13.1485 14.4748 14.4748 17.8157 17.8157 17.9630 17.9630 19.6038 19.6038 20.4728 20.4728 21.0317 21.0317 25.1195 25.1195 25.6341 25.6341 k = 0.2451 0.1795 0.8723 ( 2530 PWs) bands (ev): -51.8398 -51.8398 -24.6578 -24.6578 -21.5840 -21.5840 -21.5203 -21.5203 11.4226 11.4226 13.1348 13.1348 13.1441 13.1441 14.4583 14.4583 17.8325 17.8325 17.9777 17.9777 19.5919 19.5919 20.4684 20.4684 21.0223 21.0223 25.1987 25.1987 25.6292 25.6292 k = 0.2500 0.1723 0.8809 ( 2540 PWs) bands (ev): -51.8398 -51.8398 -24.6579 -24.6579 -21.5840 -21.5840 -21.5205 -21.5205 11.4222 11.4222 13.1406 13.1406 13.1429 13.1429 14.4527 14.4527 17.8379 17.8379 17.9829 17.9829 19.5877 19.5877 20.4668 20.4668 21.0191 21.0191 25.2330 25.2330 25.6234 25.6234 k = 0.2500 0.1723 0.8809 ( 2540 PWs) bands (ev): -51.8398 -51.8398 -24.6579 -24.6579 -21.5840 -21.5840 -21.5205 -21.5205 11.4222 11.4222 13.1406 13.1406 13.1429 13.1429 14.4527 14.4527 17.8379 17.8379 17.9829 17.9829 19.5877 19.5877 20.4668 20.4668 21.0191 21.0191 25.2330 25.2330 25.6234 25.6234 k = 0.2583 0.1781 0.8740 ( 2534 PWs) bands (ev): -51.8398 -51.8398 -24.6579 -24.6579 -21.5840 -21.5840 -21.5204 -21.5204 11.4217 11.4217 13.0938 13.0938 13.1894 13.1894 14.4564 14.4564 17.8074 17.8074 18.0091 18.0091 19.5890 19.5890 20.4585 20.4585 21.0263 21.0263 25.2192 25.2192 25.6008 25.6008 k = 0.2667 0.1838 0.8670 ( 2528 PWs) bands (ev): -51.8398 -51.8398 -24.6578 -24.6578 -21.5840 -21.5840 -21.5203 -21.5203 11.4204 11.4204 13.0448 13.0448 13.2380 13.2380 14.4669 14.4669 17.7450 17.7450 18.0585 18.0585 19.5921 19.5921 20.4353 20.4353 21.0460 21.0460 25.1792 25.1792 25.6020 25.6020 k = 0.2750 0.1896 0.8600 ( 2520 PWs) bands (ev): -51.8398 -51.8398 -24.6577 -24.6577 -21.5839 -21.5839 -21.5202 -21.5202 11.4184 11.4184 12.9946 12.9946 13.2881 13.2881 14.4837 14.4837 17.6728 17.6728 18.1089 18.1089 19.5966 19.5966 20.4011 20.4011 21.0743 21.0743 25.1219 25.1219 25.6234 25.6234 k = 0.2833 0.1953 0.8530 ( 2516 PWs) bands (ev): -51.8398 -51.8398 -24.6576 -24.6576 -21.5839 -21.5839 -21.5200 -21.5200 11.4159 11.4159 12.9436 12.9436 13.3398 13.3398 14.5061 14.5061 17.5967 17.5967 18.1546 18.1546 19.6020 19.6020 20.3593 20.3593 21.1079 21.1079 25.0573 25.0573 25.6561 25.6561 k = 0.2917 0.2011 0.8461 ( 2516 PWs) bands (ev): -51.8398 -51.8398 -24.6575 -24.6575 -21.5838 -21.5838 -21.5198 -21.5198 11.4131 11.4131 12.8924 12.8924 13.3928 13.3928 14.5334 14.5334 17.5185 17.5185 18.1935 18.1935 19.6076 19.6076 20.3122 20.3122 21.1448 21.1448 24.9919 24.9919 25.6943 25.6943 k = 0.3000 0.2068 0.8391 ( 2515 PWs) bands (ev): -51.8399 -51.8399 -24.6574 -24.6574 -21.5838 -21.5838 -21.5195 -21.5195 11.4102 11.4102 12.8415 12.8415 13.4470 13.4470 14.5649 14.5649 17.4393 17.4393 18.2246 18.2246 19.6133 19.6133 20.2612 20.2612 21.1836 21.1836 24.9295 24.9295 25.7346 25.7346 k = 0.3083 0.2126 0.8321 ( 2513 PWs) bands (ev): -51.8399 -51.8399 -24.6573 -24.6573 -21.5838 -21.5838 -21.5192 -21.5192 11.4073 11.4073 12.7912 12.7912 13.5024 13.5024 14.6000 14.6000 17.3597 17.3597 18.2474 18.2474 19.6186 19.6186 20.2069 20.2069 21.2242 21.2242 24.8722 24.8722 25.7753 25.7753 k = 0.3167 0.2183 0.8251 ( 2512 PWs) bands (ev): -51.8400 -51.8400 -24.6571 -24.6571 -21.5837 -21.5837 -21.5188 -21.5188 11.4047 11.4047 12.7418 12.7418 13.5588 13.5588 14.6383 14.6383 17.2803 17.2803 18.2616 18.2616 19.6234 19.6234 20.1493 20.1493 21.2665 21.2665 24.8213 24.8213 25.8151 25.8151 k = 0.3250 0.2240 0.8181 ( 2510 PWs) bands (ev): -51.8400 -51.8400 -24.6570 -24.6570 -21.5837 -21.5837 -21.5184 -21.5184 11.4023 11.4023 12.6937 12.6937 13.6160 13.6160 14.6791 14.6791 17.2014 17.2014 18.2673 18.2673 19.6274 19.6274 20.0884 20.0884 21.3110 21.3110 24.7774 24.7774 25.8532 25.8532 k = 0.3333 0.2298 0.8112 ( 2510 PWs) bands (ev): -51.8401 -51.8401 -24.6568 -24.6568 -21.5836 -21.5836 -21.5180 -21.5180 11.4005 11.4005 12.6470 12.6470 13.6738 13.6738 14.7219 14.7219 17.1233 17.1233 18.2648 18.2648 19.6304 19.6304 20.0239 20.0239 21.3580 21.3580 24.7408 24.7408 25.8891 25.8891 k = 0.3417 0.2355 0.8042 ( 2512 PWs) bands (ev): -51.8401 -51.8401 -24.6566 -24.6566 -21.5836 -21.5836 -21.5175 -21.5175 11.3993 11.3993 12.6020 12.6020 13.7321 13.7321 14.7662 14.7662 17.0466 17.0466 18.2544 18.2544 19.6324 19.6324 19.9559 19.9559 21.4079 21.4079 24.7118 24.7118 25.9224 25.9224 k = 0.3500 0.2413 0.7972 ( 2513 PWs) bands (ev): -51.8402 -51.8402 -24.6564 -24.6564 -21.5835 -21.5835 -21.5170 -21.5170 11.3988 11.3988 12.5588 12.5588 13.7907 13.7907 14.8117 14.8117 16.9714 16.9714 18.2367 18.2367 19.6330 19.6330 19.8845 19.8845 21.4607 21.4607 24.6901 24.6901 25.9528 25.9528 k = 0.3583 0.2470 0.7902 ( 2511 PWs) bands (ev): -51.8403 -51.8403 -24.6562 -24.6562 -21.5835 -21.5835 -21.5164 -21.5164 11.3992 11.3992 12.5174 12.5174 13.8493 13.8493 14.8578 14.8578 16.8980 16.8980 18.2123 18.2123 19.6318 19.6318 19.8102 19.8102 21.5164 21.5164 24.6757 24.6757 25.9803 25.9803 k = 0.3667 0.2528 0.7833 ( 2509 PWs) bands (ev): -51.8404 -51.8404 -24.6559 -24.6559 -21.5834 -21.5834 -21.5158 -21.5158 11.4006 11.4006 12.4780 12.4780 13.9076 13.9076 14.9041 14.9041 16.8269 16.8269 18.1819 18.1819 19.6270 19.6270 19.7354 19.7354 21.5747 21.5747 24.6684 24.6684 26.0047 26.0047 k = 0.3750 0.2585 0.7763 ( 2509 PWs) bands (ev): -51.8405 -51.8405 -24.6556 -24.6556 -21.5833 -21.5833 -21.5151 -21.5151 11.4030 11.4030 12.4405 12.4405 13.9653 13.9653 14.9502 14.9502 16.7583 16.7583 18.1459 18.1459 19.6084 19.6084 19.6709 19.6709 21.6349 21.6349 24.6680 24.6680 26.0260 26.0260 k = 0.3833 0.2643 0.7693 ( 2507 PWs) bands (ev): -51.8406 -51.8406 -24.6553 -24.6553 -21.5833 -21.5833 -21.5144 -21.5144 11.4065 11.4065 12.4050 12.4050 14.0221 14.0221 14.9957 14.9957 16.6925 16.6925 18.1049 18.1049 19.5499 19.5499 19.6440 19.6440 21.6965 21.6965 24.6742 24.6742 26.0445 26.0445 k = 0.3917 0.2700 0.7623 ( 2506 PWs) bands (ev): -51.8407 -51.8407 -24.6550 -24.6550 -21.5832 -21.5832 -21.5137 -21.5137 11.4113 11.4113 12.3714 12.3714 14.0776 14.0776 15.0402 15.0402 16.6300 16.6300 18.0593 18.0593 19.4719 19.4719 19.6349 19.6349 21.7586 21.7586 24.6870 24.6870 26.0602 26.0602 k = 0.4000 0.2757 0.7553 ( 2506 PWs) bands (ev): -51.8408 -51.8408 -24.6547 -24.6547 -21.5831 -21.5831 -21.5129 -21.5129 11.4174 11.4174 12.3397 12.3397 14.1315 14.1315 15.0832 15.0832 16.5710 16.5710 18.0095 18.0095 19.3912 19.3912 19.6285 19.6285 21.8203 21.8203 24.7060 24.7060 26.0734 26.0734 k = 0.4083 0.2815 0.7484 ( 2506 PWs) bands (ev): -51.8409 -51.8409 -24.6544 -24.6544 -21.5831 -21.5831 -21.5120 -21.5120 11.4248 11.4248 12.3097 12.3097 14.1832 14.1832 15.1245 15.1245 16.5160 16.5160 17.9556 17.9556 19.3112 19.3112 19.6224 19.6224 21.8808 21.8808 24.7313 24.7313 26.0845 26.0845 k = 0.4167 0.2872 0.7414 ( 2510 PWs) bands (ev): -51.8410 -51.8410 -24.6541 -24.6541 -21.5830 -21.5830 -21.5112 -21.5112 11.4337 11.4337 12.2815 12.2815 14.2322 14.2322 15.1638 15.1638 16.4654 16.4654 17.8978 17.8978 19.2341 19.2341 19.6161 19.6161 21.9391 21.9391 24.7625 24.7625 26.0940 26.0940 k = 0.4250 0.2930 0.7344 ( 2506 PWs) bands (ev): -51.8411 -51.8411 -24.6537 -24.6537 -21.5829 -21.5829 -21.5103 -21.5103 11.4439 11.4439 12.2548 12.2548 14.2781 14.2781 15.2006 15.2006 16.4197 16.4197 17.8360 17.8360 19.1610 19.1610 19.6096 19.6096 21.9945 21.9945 24.7993 24.7993 26.1024 26.1024 k = 0.4333 0.2987 0.7274 ( 2503 PWs) bands (ev): -51.8413 -51.8413 -24.6533 -24.6533 -21.5829 -21.5829 -21.5093 -21.5093 11.4557 11.4557 12.2295 12.2295 14.3204 14.3204 15.2347 15.2347 16.3791 16.3791 17.7703 17.7703 19.0934 19.0934 19.6029 19.6029 22.0460 22.0460 24.8414 24.8414 26.1104 26.1104 k = 0.4417 0.3045 0.7205 ( 2504 PWs) bands (ev): -51.8414 -51.8414 -24.6529 -24.6529 -21.5828 -21.5828 -21.5083 -21.5083 11.4689 11.4689 12.2055 12.2055 14.3584 14.3584 15.2659 15.2659 16.3442 16.3442 17.7008 17.7008 19.0322 19.0322 19.5963 19.5963 22.0932 22.0932 24.8880 24.8880 26.1190 26.1190 k = 0.4500 0.3102 0.7135 ( 2504 PWs) bands (ev): -51.8415 -51.8415 -24.6525 -24.6525 -21.5827 -21.5827 -21.5073 -21.5073 11.4836 11.4836 12.1826 12.1826 14.3917 14.3917 15.2942 15.2942 16.3153 16.3153 17.6277 17.6277 18.9782 18.9782 19.5898 19.5898 22.1353 22.1353 24.9384 24.9384 26.1292 26.1292 k = 0.4583 0.3160 0.7065 ( 2508 PWs) bands (ev): -51.8417 -51.8417 -24.6521 -24.6521 -21.5826 -21.5826 -21.5063 -21.5063 11.4998 11.4998 12.1605 12.1605 14.4199 14.4199 15.3193 15.3193 16.2926 16.2926 17.5510 17.5510 18.9321 18.9321 19.5838 19.5838 22.1720 22.1720 24.9914 24.9914 26.1425 26.1425 k = 0.4667 0.3217 0.6995 ( 2509 PWs) bands (ev): -51.8418 -51.8418 -24.6517 -24.6517 -21.5826 -21.5826 -21.5052 -21.5052 11.5174 11.5174 12.1392 12.1392 14.4426 14.4426 15.3414 15.3414 16.2763 16.2763 17.4713 17.4713 18.8940 18.8940 19.5784 19.5784 22.2030 22.2030 25.0455 25.0455 26.1605 26.1605 k = 0.4750 0.3275 0.6925 ( 2512 PWs) bands (ev): -51.8420 -51.8420 -24.6512 -24.6512 -21.5825 -21.5825 -21.5040 -21.5040 11.5365 11.5365 12.1182 12.1182 14.4597 14.4597 15.3604 15.3604 16.2664 16.2664 17.3890 17.3890 18.8641 18.8641 19.5740 19.5740 22.2282 22.2282 25.0987 25.0987 26.1851 26.1851 k = 0.4833 0.3332 0.6856 ( 2514 PWs) bands (ev): -51.8421 -51.8421 -24.6508 -24.6508 -21.5824 -21.5824 -21.5029 -21.5029 11.5567 11.5567 12.0975 12.0975 14.4709 14.4709 15.3767 15.3767 16.2626 16.2626 17.3047 17.3047 18.8421 18.8421 19.5708 19.5708 22.2477 22.2477 25.1491 25.1491 26.2183 26.2183 k = 0.4917 0.3389 0.6786 ( 2512 PWs) bands (ev): -51.8423 -51.8423 -24.6503 -24.6503 -21.5823 -21.5823 -21.5016 -21.5016 11.5781 11.5781 12.0769 12.0769 14.4766 14.4766 15.3904 15.3904 16.2648 16.2648 17.2191 17.2191 18.8276 18.8276 19.5691 19.5691 22.2616 22.2616 25.1947 25.1947 26.2623 26.2623 k = 0.5000 0.3447 0.6716 ( 2510 PWs) bands (ev): -51.8425 -51.8425 -24.6498 -24.6498 -21.5821 -21.5821 -21.5004 -21.5004 11.6003 11.6003 12.0563 12.0563 14.4768 14.4768 15.4019 15.4019 16.2723 16.2723 17.1329 17.1329 18.8199 18.8199 19.5692 19.5692 22.2701 22.2701 25.2336 25.2336 26.3185 26.3185 k = 0.5000 0.3447 0.6716 ( 2510 PWs) bands (ev): -51.8425 -51.8425 -24.6498 -24.6498 -21.5821 -21.5821 -21.5004 -21.5004 11.6003 11.6003 12.0563 12.0563 14.4768 14.4768 15.4019 15.4019 16.2723 16.2723 17.1329 17.1329 18.8199 18.8199 19.5692 19.5692 22.2701 22.2701 25.2336 25.2336 26.3185 26.3185 k = 0.5000 0.3447 0.6594 ( 2506 PWs) bands (ev): -51.8428 -51.8428 -24.6488 -24.6488 -21.5819 -21.5819 -21.4981 -21.4981 11.6402 11.6402 12.0197 12.0197 14.4726 14.4726 15.4206 15.4206 16.2901 16.2901 16.9831 16.9831 18.8113 18.8113 19.5718 19.5718 22.2783 22.2783 25.2979 25.2979 26.4275 26.4275 k = 0.5000 0.3447 0.6472 ( 2502 PWs) bands (ev): -51.8431 -51.8431 -24.6479 -24.6479 -21.5817 -21.5817 -21.4956 -21.4956 11.6807 11.6807 11.9823 11.9823 14.4680 14.4680 15.4399 15.4399 16.3088 16.3088 16.8364 16.8364 18.8009 18.8009 19.5754 19.5754 22.2822 22.2822 25.3676 25.3676 26.5340 26.5340 k = 0.5000 0.3447 0.6350 ( 2502 PWs) bands (ev): -51.8434 -51.8434 -24.6469 -24.6469 -21.5815 -21.5815 -21.4931 -21.4931 11.7212 11.7212 11.9445 11.9445 14.4632 14.4632 15.4597 15.4597 16.3283 16.3283 16.6936 16.6936 18.7885 18.7885 19.5803 19.5803 22.2820 22.2820 25.4430 25.4430 26.6371 26.6371 k = 0.5000 0.3447 0.6228 ( 2506 PWs) bands (ev): -51.8438 -51.8438 -24.6459 -24.6459 -21.5812 -21.5812 -21.4906 -21.4906 11.7612 11.7612 11.9065 11.9065 14.4581 14.4581 15.4798 15.4798 16.3485 16.3485 16.5557 16.5557 18.7741 18.7741 19.5864 19.5864 22.2780 22.2780 25.5240 25.5240 26.7358 26.7358 k = 0.5000 0.3447 0.6106 ( 2502 PWs) bands (ev): -51.8441 -51.8441 -24.6448 -24.6448 -21.5810 -21.5810 -21.4879 -21.4879 11.7985 11.7985 11.8703 11.8703 14.4527 14.4527 15.4998 15.4998 16.3682 16.3682 16.4247 16.4247 18.7578 18.7578 19.5939 19.5939 22.2707 22.2707 25.6106 25.6106 26.8295 26.8295 k = 0.5000 0.3447 0.5983 ( 2506 PWs) bands (ev): -51.8445 -51.8445 -24.6437 -24.6437 -21.5807 -21.5807 -21.4851 -21.4851 11.8125 11.8125 11.8560 11.8560 14.4470 14.4470 15.5193 15.5193 16.2956 16.2956 16.3933 16.3933 18.7394 18.7394 19.6028 19.6028 22.2603 22.2603 25.7028 25.7028 26.9175 26.9175 k = 0.5000 0.3447 0.5861 ( 2506 PWs) bands (ev): -51.8449 -51.8449 -24.6426 -24.6426 -21.5805 -21.5805 -21.4822 -21.4822 11.7811 11.7811 11.8854 11.8854 14.4410 14.4410 15.5372 15.5372 16.1788 16.1788 16.4153 16.4153 18.7190 18.7190 19.6132 19.6132 22.2471 22.2471 25.8006 25.8006 26.9993 26.9993 k = 0.5000 0.3447 0.5739 ( 2506 PWs) bands (ev): -51.8453 -51.8453 -24.6414 -24.6414 -21.5802 -21.5802 -21.4793 -21.4793 11.7427 11.7427 11.9195 11.9195 14.4348 14.4348 15.5522 15.5522 16.0719 16.0719 16.4385 16.4385 18.6967 18.6967 19.6252 19.6252 22.2313 22.2313 25.9039 25.9039 27.0747 27.0747 k = 0.5000 0.3447 0.5617 ( 2504 PWs) bands (ev): -51.8457 -51.8457 -24.6402 -24.6402 -21.5799 -21.5799 -21.4762 -21.4762 11.7033 11.7033 11.9518 11.9518 14.4283 14.4283 15.5613 15.5613 15.9790 15.9790 16.4624 16.4624 18.6725 18.6725 19.6388 19.6388 22.2132 22.2132 26.0126 26.0126 27.1433 27.1433 k = 0.5000 0.3447 0.5495 ( 2500 PWs) bands (ev): -51.8461 -51.8461 -24.6390 -24.6390 -21.5796 -21.5796 -21.4731 -21.4731 11.6638 11.6638 11.9809 11.9809 14.4216 14.4216 15.5599 15.5599 15.9054 15.9054 16.4869 16.4869 18.6466 18.6466 19.6540 19.6540 22.1930 22.1930 26.1266 26.1266 27.2053 27.2053 k = 0.5000 0.3447 0.5373 ( 2504 PWs) bands (ev): -51.8465 -51.8465 -24.6378 -24.6378 -21.5793 -21.5793 -21.4700 -21.4700 11.6243 11.6243 12.0059 12.0059 14.4146 14.4146 15.5424 15.5424 15.8575 15.8575 16.5121 16.5121 18.6189 18.6189 19.6708 19.6708 22.1709 22.1709 26.2458 26.2458 27.2607 27.2607 k = 0.5000 0.3447 0.5251 ( 2500 PWs) bands (ev): -51.8470 -51.8470 -24.6365 -24.6365 -21.5790 -21.5790 -21.4667 -21.4667 11.5850 11.5850 12.0262 12.0262 14.4075 14.4075 15.5081 15.5081 15.8368 15.8368 16.5378 16.5378 18.5897 18.5897 19.6894 19.6894 22.1471 22.1471 26.3699 26.3699 27.3097 27.3097 k = 0.5000 0.3447 0.5129 ( 2504 PWs) bands (ev): -51.8474 -51.8474 -24.6352 -24.6352 -21.5787 -21.5787 -21.4635 -21.4635 11.5461 11.5461 12.0409 12.0409 14.4002 14.4002 15.4638 15.4638 15.8370 15.8370 16.5640 16.5640 18.5589 18.5589 19.7096 19.7096 22.1219 22.1219 26.4988 26.4988 27.3526 27.3526 k = 0.5000 0.3447 0.5007 ( 2500 PWs) bands (ev): -51.8478 -51.8478 -24.6339 -24.6339 -21.5783 -21.5783 -21.4601 -21.4601 11.5076 11.5076 12.0494 12.0494 14.3927 14.3927 15.4180 15.4180 15.8502 15.8502 16.5906 16.5906 18.5269 18.5269 19.7315 19.7315 22.0952 22.0952 26.6324 26.6324 27.3899 27.3899 k = 0.5000 0.3447 0.4884 ( 2508 PWs) bands (ev): -51.8483 -51.8483 -24.6327 -24.6327 -21.5780 -21.5780 -21.4568 -21.4568 11.4695 11.4695 12.0513 12.0513 14.3851 14.3851 15.3767 15.3767 15.8710 15.8710 16.6177 16.6177 18.4936 18.4936 19.7551 19.7551 22.0673 22.0673 26.7704 26.7704 27.4220 27.4220 k = 0.5000 0.3447 0.4762 ( 2508 PWs) bands (ev): -51.8487 -51.8487 -24.6314 -24.6314 -21.5777 -21.5777 -21.4534 -21.4534 11.4321 11.4321 12.0460 12.0460 14.3773 14.3773 15.3431 15.3431 15.8965 15.8965 16.6451 16.6451 18.4593 18.4593 19.7803 19.7803 22.0384 22.0384 26.9126 26.9126 27.4494 27.4494 k = 0.5000 0.3447 0.4640 ( 2502 PWs) bands (ev): -51.8492 -51.8492 -24.6300 -24.6300 -21.5773 -21.5773 -21.4500 -21.4500 11.3952 11.3952 12.0334 12.0334 14.3695 14.3695 15.3188 15.3188 15.9251 15.9251 16.6728 16.6728 18.4240 18.4240 19.8072 19.8072 22.0085 22.0085 27.0589 27.0589 27.4727 27.4727 k = 0.5000 0.3447 0.4518 ( 2498 PWs) bands (ev): -51.8496 -51.8496 -24.6287 -24.6287 -21.5770 -21.5770 -21.4465 -21.4465 11.3590 11.3590 12.0134 12.0134 14.3616 14.3616 15.3045 15.3045 15.9561 15.9561 16.7008 16.7008 18.3879 18.3879 19.8356 19.8356 21.9777 21.9777 27.2088 27.2088 27.4925 27.4925 k = 0.5000 0.3447 0.4396 ( 2498 PWs) bands (ev): -51.8501 -51.8501 -24.6273 -24.6273 -21.5766 -21.5766 -21.4430 -21.4430 11.3236 11.3236 11.9862 11.9862 14.3536 14.3536 15.3006 15.3006 15.9890 15.9890 16.7291 16.7291 18.3511 18.3511 19.8655 19.8655 21.9462 21.9462 27.3622 27.3622 27.5095 27.5095 k = 0.5000 0.3447 0.4274 ( 2498 PWs) bands (ev): -51.8505 -51.8505 -24.6260 -24.6260 -21.5763 -21.5763 -21.4395 -21.4395 11.2889 11.2889 11.9522 11.9522 14.3457 14.3457 15.3067 15.3067 16.0235 16.0235 16.7574 16.7574 18.3138 18.3138 19.8969 19.8969 21.9141 21.9141 27.5104 27.5104 27.5325 27.5325 k = 0.5000 0.3447 0.4152 ( 2498 PWs) bands (ev): -51.8510 -51.8510 -24.6247 -24.6247 -21.5759 -21.5759 -21.4360 -21.4360 11.2551 11.2551 11.9118 11.9118 14.3376 14.3376 15.3224 15.3224 16.0596 16.0596 16.7860 16.7860 18.2762 18.2762 19.9297 19.9297 21.8814 21.8814 27.5341 27.5341 27.6811 27.6811 k = 0.5000 0.3447 0.4030 ( 2506 PWs) bands (ev): -51.8514 -51.8514 -24.6234 -24.6234 -21.5756 -21.5756 -21.4326 -21.4326 11.2221 11.2221 11.8657 11.8657 14.3296 14.3296 15.3468 15.3468 16.0972 16.0972 16.8145 16.8145 18.2383 18.2383 19.9639 19.9639 21.8483 21.8483 27.5452 27.5452 27.8437 27.8437 k = 0.5000 0.3447 0.3908 ( 2508 PWs) bands (ev): -51.8519 -51.8519 -24.6221 -24.6221 -21.5752 -21.5752 -21.4292 -21.4292 11.1900 11.1900 11.8146 11.8146 14.3216 14.3216 15.3792 15.3792 16.1364 16.1364 16.8431 16.8431 18.2002 18.2002 19.9993 19.9993 21.8147 21.8147 27.5550 27.5550 28.0094 28.0094 k = 0.5000 0.3447 0.3785 ( 2512 PWs) bands (ev): -51.8523 -51.8523 -24.6208 -24.6208 -21.5749 -21.5749 -21.4257 -21.4257 11.1588 11.1588 11.7591 11.7591 14.3137 14.3137 15.4184 15.4184 16.1772 16.1772 16.8716 16.8716 18.1621 18.1621 20.0358 20.0358 21.7809 21.7809 27.5642 27.5642 28.1774 28.1774 k = 0.5000 0.3447 0.3663 ( 2512 PWs) bands (ev): -51.8528 -51.8528 -24.6195 -24.6195 -21.5745 -21.5745 -21.4223 -21.4223 11.1285 11.1285 11.7001 11.7001 14.3058 14.3058 15.4635 15.4635 16.2198 16.2198 16.9000 16.9000 18.1242 18.1242 20.0734 20.0734 21.7469 21.7469 27.5733 27.5733 28.3472 28.3472 k = 0.5000 0.3447 0.3541 ( 2500 PWs) bands (ev): -51.8532 -51.8532 -24.6182 -24.6182 -21.5741 -21.5741 -21.4188 -21.4188 11.0992 11.0992 11.6383 11.6383 14.2980 14.2980 15.5132 15.5132 16.2645 16.2645 16.9283 16.9283 18.0865 18.0865 20.1119 20.1119 21.7126 21.7126 27.5826 27.5826 28.3281 28.3281 k = 0.5000 0.3447 0.3419 ( 2500 PWs) bands (ev): -51.8536 -51.8536 -24.6169 -24.6169 -21.5738 -21.5738 -21.4155 -21.4155 11.0709 11.0709 11.5744 11.5744 14.2903 14.2903 15.5664 15.5664 16.3114 16.3114 16.9563 16.9563 18.0492 18.0492 20.1512 20.1512 21.6783 21.6783 27.5927 27.5927 28.2643 28.2643 k = 0.5000 0.3447 0.3297 ( 2502 PWs) bands (ev): -51.8541 -51.8541 -24.6157 -24.6157 -21.5734 -21.5734 -21.4121 -21.4121 11.0436 11.0436 11.5090 11.5090 14.2828 14.2828 15.6221 15.6221 16.3608 16.3608 16.9840 16.9840 18.0123 18.0123 20.1912 20.1912 21.6439 21.6439 27.6038 27.6038 28.1943 28.1943 k = 0.5000 0.3447 0.3175 ( 2510 PWs) bands (ev): -51.8545 -51.8545 -24.6145 -24.6145 -21.5731 -21.5731 -21.4089 -21.4089 11.0172 11.0172 11.4427 11.4427 14.2754 14.2754 15.6791 15.6791 16.4130 16.4130 17.0114 17.0114 17.9760 17.9760 20.2318 20.2318 21.6095 21.6095 27.6163 27.6163 28.1193 28.1193 k = 0.5000 0.3447 0.3053 ( 2504 PWs) bands (ev): -51.8549 -51.8549 -24.6133 -24.6133 -21.5727 -21.5727 -21.4057 -21.4057 10.9918 10.9918 11.3761 11.3761 14.2681 14.2681 15.7363 15.7363 16.4682 16.4682 17.0384 17.0384 17.9404 17.9404 20.2728 20.2728 21.5752 21.5752 27.6306 27.6306 28.0408 28.0408 k = 0.5000 0.3447 0.2931 ( 2508 PWs) bands (ev): -51.8553 -51.8553 -24.6121 -24.6121 -21.5724 -21.5724 -21.4025 -21.4025 10.9675 10.9675 11.3097 11.3097 14.2611 14.2611 15.7928 15.7928 16.5266 16.5266 17.0650 17.0650 17.9055 17.9055 20.3141 20.3141 21.5410 21.5410 27.6469 27.6469 27.9600 27.9600 k = 0.5000 0.3447 0.2809 ( 2500 PWs) bands (ev): -51.8557 -51.8557 -24.6110 -24.6110 -21.5720 -21.5720 -21.3994 -21.3994 10.9441 10.9441 11.2438 11.2438 14.2542 14.2542 15.8479 15.8479 16.5883 16.5883 17.0910 17.0910 17.8716 17.8716 20.3556 20.3556 21.5070 21.5070 27.6654 27.6654 27.8778 27.8778 k = 0.5000 0.3447 0.2686 ( 2500 PWs) bands (ev): -51.8561 -51.8561 -24.6099 -24.6099 -21.5717 -21.5717 -21.3964 -21.3964 10.9217 10.9217 11.1789 11.1789 14.2476 14.2476 15.9008 15.9008 16.6532 16.6532 17.1164 17.1164 17.8386 17.8386 20.3969 20.3969 21.4733 21.4733 27.6866 27.6866 27.7953 27.7953 k = 0.5000 0.3447 0.2564 ( 2504 PWs) bands (ev): -51.8565 -51.8565 -24.6088 -24.6088 -21.5714 -21.5714 -21.3935 -21.3935 10.9002 10.9002 11.1153 11.1153 14.2412 14.2412 15.9511 15.9511 16.7212 16.7212 17.1412 17.1412 17.8067 17.8067 20.4381 20.4381 21.4399 21.4399 27.7100 27.7100 27.7137 27.7137 k = 0.5000 0.3447 0.2442 ( 2508 PWs) bands (ev): -51.8568 -51.8568 -24.6078 -24.6078 -21.5710 -21.5710 -21.3907 -21.3907 10.8797 10.8797 11.0535 11.0535 14.2350 14.2350 15.9985 15.9985 16.7919 16.7919 17.1653 17.1653 17.7760 17.7760 20.4789 20.4789 21.4069 21.4069 27.6323 27.6323 27.7375 27.7375 k = 0.5000 0.3447 0.2320 ( 2504 PWs) bands (ev): -51.8572 -51.8572 -24.6067 -24.6067 -21.5707 -21.5707 -21.3880 -21.3880 10.8599 10.8599 10.9937 10.9937 14.2291 14.2291 16.0427 16.0427 16.8648 16.8648 17.1886 17.1886 17.7467 17.7467 20.5191 20.5191 21.3743 21.3743 27.5531 27.5531 27.7676 27.7676 k = 0.5000 0.3447 0.2198 ( 2498 PWs) bands (ev): -51.8575 -51.8575 -24.6058 -24.6058 -21.5704 -21.5704 -21.3853 -21.3853 10.8405 10.8405 10.9366 10.9366 14.2235 14.2235 16.0839 16.0839 16.9393 16.9393 17.2112 17.2112 17.7187 17.7187 20.5586 20.5586 21.3423 21.3423 27.4760 27.4760 27.8011 27.8011 k = 0.5000 0.3447 0.2076 ( 2498 PWs) bands (ev): -51.8578 -51.8578 -24.6048 -24.6048 -21.5701 -21.5701 -21.3828 -21.3828 10.8205 10.8205 10.8834 10.8834 14.2182 14.2182 16.1219 16.1219 17.0146 17.0146 17.2329 17.2329 17.6924 17.6924 20.5971 20.5971 21.3110 21.3110 27.4016 27.4016 27.8382 27.8382 k = 0.5000 0.3447 0.1954 ( 2494 PWs) bands (ev): -51.8581 -51.8581 -24.6039 -24.6039 -21.5698 -21.5698 -21.3804 -21.3804 10.7962 10.7962 10.8380 10.8380 14.2131 14.2131 16.1570 16.1570 17.0897 17.0897 17.2540 17.2540 17.6679 17.6679 20.6344 20.6344 21.2805 21.2805 27.3302 27.3302 27.8789 27.8789 k = 0.5000 0.3447 0.1832 ( 2494 PWs) bands (ev): -51.8584 -51.8584 -24.6031 -24.6031 -21.5695 -21.5695 -21.3781 -21.3781 10.7601 10.7601 10.8081 10.8081 14.2083 14.2083 16.1892 16.1892 17.1632 17.1632 17.2747 17.2747 17.6456 17.6456 20.6703 20.6703 21.2509 21.2509 27.2620 27.2620 27.9233 27.9233 k = 0.5000 0.3447 0.1710 ( 2498 PWs) bands (ev): -51.8587 -51.8587 -24.6023 -24.6023 -21.5693 -21.5693 -21.3759 -21.3759 10.7166 10.7166 10.7892 10.7892 14.2038 14.2038 16.2188 16.2188 17.2323 17.2323 17.2968 17.2968 17.6259 17.6259 20.7045 20.7045 21.2225 21.2225 27.1974 27.1974 27.9715 27.9715 k = 0.5000 0.3447 0.1587 ( 2496 PWs) bands (ev): -51.8589 -51.8589 -24.6016 -24.6016 -21.5690 -21.5690 -21.3739 -21.3739 10.6731 10.6731 10.7742 10.7742 14.1996 14.1996 16.2458 16.2458 17.2861 17.2861 17.3294 17.3294 17.6098 17.6098 20.7368 20.7368 21.1954 21.1954 27.1365 27.1365 28.0233 28.0233 k = 0.5000 0.3447 0.1465 ( 2500 PWs) bands (ev): -51.8592 -51.8592 -24.6009 -24.6009 -21.5688 -21.5688 -21.3720 -21.3720 10.6315 10.6315 10.7613 10.7613 14.1957 14.1957 16.2705 16.2705 17.3132 17.3132 17.3811 17.3811 17.5994 17.5994 20.7669 20.7669 21.1698 21.1698 27.0796 27.0796 28.0788 28.0788 k = 0.5000 0.3447 0.1343 ( 2504 PWs) bands (ev): -51.8594 -51.8594 -24.6003 -24.6003 -21.5686 -21.5686 -21.3702 -21.3702 10.5927 10.5927 10.7497 10.7497 14.1922 14.1922 16.2928 16.2928 17.3303 17.3303 17.4302 17.4302 17.5992 17.5992 20.7945 20.7945 21.1462 21.1462 27.0268 27.0268 28.1376 28.1376 k = 0.5000 0.3447 0.1221 ( 2504 PWs) bands (ev): -51.8596 -51.8596 -24.5997 -24.5997 -21.5684 -21.5684 -21.3686 -21.3686 10.5568 10.5568 10.7393 10.7393 14.1889 14.1889 16.3129 16.3129 17.3439 17.3439 17.4627 17.4627 17.6160 17.6160 20.8191 20.8191 21.1248 21.1248 26.9782 26.9782 28.1996 28.1996 k = 0.5000 0.3447 0.1099 ( 2512 PWs) bands (ev): -51.8598 -51.8598 -24.5992 -24.5992 -21.5683 -21.5683 -21.3671 -21.3671 10.5241 10.5241 10.7300 10.7300 14.1859 14.1859 16.3309 16.3309 17.3552 17.3552 17.4759 17.4759 17.6505 17.6505 20.8404 20.8404 21.1061 21.1061 26.9339 26.9339 28.2641 28.2641 k = 0.5000 0.3447 0.0977 ( 2516 PWs) bands (ev): -51.8600 -51.8600 -24.5987 -24.5987 -21.5682 -21.5682 -21.3658 -21.3658 10.4946 10.4946 10.7218 10.7218 14.1833 14.1833 16.3468 16.3468 17.3643 17.3643 17.4780 17.4780 17.6940 17.6940 20.8580 20.8580 21.0906 21.0906 26.8941 26.8941 28.3305 28.3305 k = 0.5000 0.3447 0.0855 ( 2520 PWs) bands (ev): -51.8601 -51.8601 -24.5983 -24.5983 -21.5680 -21.5680 -21.3646 -21.3646 10.4684 10.4684 10.7145 10.7145 14.1809 14.1809 16.3608 16.3608 17.3713 17.3713 17.4761 17.4761 17.7387 17.7387 20.8715 20.8715 21.0786 21.0786 26.8589 26.8589 28.3978 28.3978 k = 0.5000 0.3447 0.0733 ( 2528 PWs) bands (ev): -51.8602 -51.8602 -24.5980 -24.5980 -21.5679 -21.5679 -21.3636 -21.3636 10.4456 10.4456 10.7083 10.7083 14.1789 14.1789 16.3728 16.3728 17.3762 17.3762 17.4736 17.4736 17.7807 17.7807 20.8808 20.8808 21.0704 21.0704 26.8282 26.8282 28.4647 28.4647 k = 0.5000 0.3447 0.0611 ( 2530 PWs) bands (ev): -51.8604 -51.8604 -24.5976 -24.5976 -21.5678 -21.5678 -21.3628 -21.3628 10.4262 10.4262 10.7030 10.7030 14.1772 14.1772 16.3829 16.3829 17.3793 17.3793 17.4716 17.4716 17.8181 17.8181 20.8863 20.8863 21.0655 21.0655 26.8021 26.8021 28.5292 28.5292 k = 0.5000 0.3447 0.0488 ( 2530 PWs) bands (ev): -51.8604 -51.8604 -24.5974 -24.5974 -21.5678 -21.5678 -21.3620 -21.3620 10.4103 10.4103 10.6987 10.6987 14.1758 14.1758 16.3912 16.3912 17.3809 17.3809 17.4704 17.4704 17.8497 17.8497 20.8888 20.8888 21.0635 21.0635 26.7807 26.7807 28.5892 28.5892 k = 0.5000 0.3447 0.0366 ( 2534 PWs) bands (ev): -51.8605 -51.8605 -24.5972 -24.5972 -21.5677 -21.5677 -21.3615 -21.3615 10.3979 10.3979 10.6954 10.6954 14.1747 14.1747 16.3975 16.3975 17.3814 17.3814 17.4700 17.4700 17.8749 17.8749 20.8893 20.8893 21.0632 21.0632 26.7641 26.7641 28.6414 28.6414 k = 0.5000 0.3447 0.0244 ( 2542 PWs) bands (ev): -51.8606 -51.8606 -24.5971 -24.5971 -21.5677 -21.5677 -21.3611 -21.3611 10.3890 10.3890 10.6930 10.6930 14.1739 14.1739 16.4021 16.4021 17.3815 17.3815 17.4700 17.4700 17.8933 17.8933 20.8888 20.8888 21.0638 21.0638 26.7522 26.7522 28.6824 28.6824 k = 0.5000 0.3447 0.0122 ( 2534 PWs) bands (ev): -51.8606 -51.8606 -24.5970 -24.5970 -21.5676 -21.5676 -21.3608 -21.3608 10.3837 10.3837 10.6916 10.6916 14.1734 14.1734 16.4048 16.4048 17.3813 17.3813 17.4701 17.4701 17.9044 17.9044 20.8882 20.8882 21.0644 21.0644 26.7450 26.7450 28.7089 28.7089 k = 0.5000 0.3447-0.0000 ( 2538 PWs) bands (ev): -51.8606 -51.8606 -24.5970 -24.5970 -21.5676 -21.5676 -21.3608 -21.3608 10.3819 10.3819 10.6911 10.6911 14.1733 14.1733 16.4057 16.4057 17.3812 17.3812 17.4701 17.4701 17.9081 17.9081 20.8880 20.8880 21.0647 21.0647 26.7426 26.7426 28.7180 28.7180 k = 0.0000 0.0000 0.8809 ( 2508 PWs) bands (ev): -51.8398 -51.8398 -24.6577 -24.6577 -21.5840 -21.5840 -21.5202 -21.5202 11.2183 11.2183 12.4161 12.4161 14.5080 14.5080 15.2352 15.2352 16.1167 16.1167 18.7726 18.7726 19.2272 19.2272 19.5899 19.5899 21.6196 21.6196 24.7942 24.7942 25.1041 25.1041 k = 0.0100 0.0069 0.8809 ( 2508 PWs) bands (ev): -51.8398 -51.8398 -24.6577 -24.6577 -21.5840 -21.5840 -21.5202 -21.5202 11.2191 11.2191 12.4173 12.4173 14.5025 14.5025 15.2316 15.2316 16.1229 16.1229 18.7777 18.7777 19.2251 19.2251 19.5899 19.5899 21.6187 21.6187 24.7959 24.7959 25.1044 25.1044 k = 0.0200 0.0138 0.8809 ( 2508 PWs) bands (ev): -51.8398 -51.8398 -24.6577 -24.6577 -21.5840 -21.5840 -21.5202 -21.5202 11.2212 11.2212 12.4210 12.4210 14.4863 14.4863 15.2209 15.2209 16.1411 16.1411 18.7929 18.7929 19.2190 19.2190 19.5900 19.5900 21.6159 21.6159 24.8011 24.8011 25.1054 25.1054 k = 0.0300 0.0207 0.8809 ( 2508 PWs) bands (ev): -51.8398 -51.8398 -24.6577 -24.6577 -21.5840 -21.5840 -21.5202 -21.5202 11.2247 11.2247 12.4270 12.4270 14.4601 14.4601 15.2033 15.2033 16.1707 16.1707 18.8176 18.8176 19.2093 19.2093 19.5901 19.5901 21.6113 21.6113 24.8096 24.8096 25.1071 25.1071 k = 0.0400 0.0276 0.8809 ( 2504 PWs) bands (ev): -51.8398 -51.8398 -24.6577 -24.6577 -21.5840 -21.5840 -21.5202 -21.5202 11.2296 11.2296 12.4355 12.4355 14.4250 14.4250 15.1793 15.1793 16.2106 16.2106 18.8505 18.8505 19.1967 19.1967 19.5903 19.5903 21.6047 21.6047 24.8215 24.8215 25.1095 25.1095 k = 0.0500 0.0345 0.8809 ( 2500 PWs) bands (ev): -51.8398 -51.8398 -24.6577 -24.6577 -21.5839 -21.5839 -21.5202 -21.5202 11.2358 11.2358 12.4464 12.4464 14.3823 14.3823 15.1495 15.1495 16.2596 16.2596 18.8894 18.8894 19.1829 19.1829 19.5905 19.5905 21.5961 21.5961 24.8366 24.8366 25.1125 25.1125 k = 0.0600 0.0414 0.8809 ( 2502 PWs) bands (ev): -51.8398 -51.8398 -24.6577 -24.6577 -21.5839 -21.5839 -21.5202 -21.5202 11.2432 11.2432 12.4597 12.4597 14.3332 14.3332 15.1145 15.1145 16.3165 16.3165 18.9295 18.9295 19.1718 19.1718 19.5908 19.5908 21.5856 21.5856 24.8549 24.8549 25.1163 25.1163 k = 0.0700 0.0483 0.8809 ( 2502 PWs) bands (ev): -51.8398 -51.8398 -24.6577 -24.6577 -21.5839 -21.5839 -21.5202 -21.5202 11.2518 11.2518 12.4754 12.4754 14.2791 14.2791 15.0751 15.0751 16.3799 16.3799 18.9618 18.9618 19.1720 19.1720 19.5912 19.5912 21.5729 21.5729 24.8761 24.8761 25.1209 25.1209 k = 0.0800 0.0551 0.8809 ( 2504 PWs) bands (ev): -51.8398 -51.8398 -24.6577 -24.6577 -21.5839 -21.5839 -21.5202 -21.5202 11.2614 11.2614 12.4935 12.4935 14.2209 14.2209 15.0322 15.0322 16.4490 16.4490 18.9729 18.9729 19.1959 19.1959 19.5917 19.5917 21.5579 21.5579 24.9002 24.9002 25.1262 25.1262 k = 0.0900 0.0620 0.8809 ( 2506 PWs) bands (ev): -51.8398 -51.8398 -24.6577 -24.6577 -21.5839 -21.5839 -21.5202 -21.5202 11.2720 11.2720 12.5139 12.5139 14.1597 14.1597 14.9866 14.9866 16.5225 16.5225 18.9594 18.9594 19.2460 19.2460 19.5924 19.5924 21.5407 21.5407 24.9270 24.9270 25.1324 25.1324 k = 0.1000 0.0689 0.8809 ( 2506 PWs) bands (ev): -51.8398 -51.8398 -24.6577 -24.6577 -21.5839 -21.5839 -21.5202 -21.5202 11.2833 11.2833 12.5367 12.5367 14.0961 14.0961 14.9391 14.9391 16.5999 16.5999 18.9292 18.9292 19.3135 19.3135 19.5935 19.5935 21.5211 21.5211 24.9563 24.9563 25.1395 25.1395 k = 0.1100 0.0758 0.8809 ( 2506 PWs) bands (ev): -51.8398 -51.8398 -24.6577 -24.6577 -21.5839 -21.5839 -21.5202 -21.5202 11.2953 11.2953 12.5619 12.5619 14.0309 14.0309 14.8905 14.8905 16.6803 16.6803 18.8888 18.8888 19.3908 19.3908 19.5954 19.5954 21.4989 21.4989 24.9876 24.9876 25.1477 25.1477 k = 0.1200 0.0827 0.8809 ( 2506 PWs) bands (ev): -51.8398 -51.8398 -24.6577 -24.6577 -21.5839 -21.5839 -21.5202 -21.5202 11.3077 11.3077 12.5893 12.5893 13.9646 13.9646 14.8417 14.8417 16.7631 16.7631 18.8415 18.8415 19.4718 19.4718 19.6000 19.6000 21.4741 21.4741 25.0207 25.0207 25.1572 25.1572 k = 0.1300 0.0896 0.8809 ( 2514 PWs) bands (ev): -51.8398 -51.8398 -24.6578 -24.6578 -21.5840 -21.5840 -21.5203 -21.5203 11.3204 11.3204 12.6190 12.6190 13.8977 13.8977 14.7934 14.7934 16.8480 16.8480 18.7890 18.7890 19.5439 19.5439 19.6178 19.6178 21.4465 21.4465 25.0549 25.0549 25.1683 25.1683 k = 0.1400 0.0965 0.8809 ( 2518 PWs) bands (ev): -51.8398 -51.8398 -24.6578 -24.6578 -21.5840 -21.5840 -21.5203 -21.5203 11.3333 11.3333 12.6510 12.6510 13.8305 13.8305 14.7461 14.7461 16.9343 16.9343 18.7322 18.7322 19.5747 19.5747 19.6795 19.6795 21.4161 21.4161 25.0891 25.0891 25.1821 25.1821 k = 0.1500 0.1034 0.8809 ( 2514 PWs) bands (ev): -51.8398 -51.8398 -24.6578 -24.6578 -21.5840 -21.5840 -21.5203 -21.5203 11.3460 11.3460 12.6853 12.6853 13.7634 13.7634 14.7007 14.7007 17.0218 17.0218 18.6715 18.6715 19.5818 19.5818 19.7664 19.7664 21.3829 21.3829 25.1210 25.1210 25.2002 25.2002 k = 0.1600 0.1103 0.8809 ( 2514 PWs) bands (ev): -51.8398 -51.8398 -24.6578 -24.6578 -21.5840 -21.5840 -21.5203 -21.5203 11.3584 11.3584 12.7217 12.7217 13.6966 13.6966 14.6577 14.6577 17.1101 17.1101 18.6074 18.6074 19.5843 19.5843 19.8582 19.8582 21.3468 21.3468 25.1480 25.1480 25.2254 25.2254 k = 0.1700 0.1172 0.8809 ( 2512 PWs) bands (ev): -51.8398 -51.8398 -24.6578 -24.6578 -21.5839 -21.5839 -21.5203 -21.5203 11.3702 11.3702 12.7603 12.7603 13.6304 13.6304 14.6176 14.6176 17.1989 17.1989 18.5403 18.5403 19.5856 19.5856 19.9505 19.9505 21.3079 21.3079 25.1685 25.1685 25.2586 25.2586 k = 0.1800 0.1241 0.8809 ( 2504 PWs) bands (ev): -51.8398 -51.8398 -24.6577 -24.6577 -21.5839 -21.5839 -21.5203 -21.5203 11.3813 11.3813 12.8010 12.8010 13.5650 13.5650 14.5810 14.5810 17.2879 17.2879 18.4704 18.4704 19.5864 19.5864 20.0416 20.0416 21.2665 21.2665 25.1842 25.1842 25.2979 25.2979 k = 0.1900 0.1310 0.8809 ( 2504 PWs) bands (ev): -51.8398 -51.8398 -24.6577 -24.6577 -21.5839 -21.5839 -21.5203 -21.5203 11.3915 11.3915 12.8439 12.8439 13.5005 13.5005 14.5482 14.5482 17.3768 17.3768 18.3981 18.3981 19.5868 19.5868 20.1299 20.1299 21.2231 21.2231 25.1969 25.1969 25.3410 25.3410 k = 0.2000 0.1379 0.8809 ( 2514 PWs) bands (ev): -51.8398 -51.8398 -24.6578 -24.6578 -21.5839 -21.5839 -21.5203 -21.5203 11.4004 11.4004 12.8888 12.8888 13.4372 13.4372 14.5198 14.5198 17.4653 17.4653 18.3236 18.3236 19.5872 19.5872 20.2139 20.2139 21.1783 21.1783 25.2075 25.2075 25.3864 25.3864 k = 0.2100 0.1448 0.8809 ( 2514 PWs) bands (ev): -51.8398 -51.8398 -24.6578 -24.6578 -21.5839 -21.5839 -21.5204 -21.5204 11.4080 11.4080 12.9357 12.9357 13.3750 13.3750 14.4961 14.4961 17.5530 17.5530 18.2474 18.2474 19.5874 19.5874 20.2917 20.2917 21.1335 21.1335 25.2163 25.2164 25.4334 25.4334 k = 0.2200 0.1517 0.8809 ( 2518 PWs) bands (ev): -51.8398 -51.8398 -24.6578 -24.6578 -21.5839 -21.5839 -21.5204 -21.5204 11.4141 11.4141 12.9846 12.9846 13.3142 13.3142 14.4773 14.4773 17.6391 17.6391 18.1702 18.1702 19.5876 19.5876 20.3604 20.3604 21.0911 21.0911 25.2235 25.2235 25.4815 25.4815 k = 0.2300 0.1586 0.8809 ( 2524 PWs) bands (ev): -51.8398 -51.8398 -24.6578 -24.6578 -21.5840 -21.5840 -21.5204 -21.5204 11.4186 11.4186 13.0354 13.0354 13.2549 13.2549 14.4637 14.4637 17.7223 17.7223 18.0934 18.0934 19.5877 19.5877 20.4161 20.4161 21.0544 21.0544 25.2287 25.2287 25.5303 25.5303 k = 0.2400 0.1654 0.8809 ( 2532 PWs) bands (ev): -51.8398 -51.8398 -24.6579 -24.6579 -21.5840 -21.5840 -21.5204 -21.5204 11.4213 11.4213 13.0880 13.0880 13.1971 13.1971 14.4554 14.4554 17.7975 17.7975 18.0220 18.0220 19.5877 19.5877 20.4534 20.4534 21.0286 21.0286 25.2319 25.2319 25.5795 25.5795 k = 0.2500 0.1723 0.8809 ( 2540 PWs) bands (ev): -51.8398 -51.8398 -24.6579 -24.6579 -21.5840 -21.5840 -21.5205 -21.5205 11.4222 11.4222 13.1406 13.1406 13.1429 13.1429 14.4527 14.4527 17.8379 17.8379 17.9829 17.9829 19.5877 19.5877 20.4668 20.4668 21.0191 21.0191 25.2330 25.2330 25.6234 25.6234 Writing output data file Al2Ru.save init_run : 0.11s CPU 0.28s WALL ( 1 calls) electrons : 93.99s CPU 95.72s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 93.99s CPU 95.71s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.03s CPU 0.04s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.04s WALL ( 480 calls) cegterg : 82.07s CPU 83.30s WALL ( 496 calls) Called by sum_band: Called by *egterg: h_psi : 59.88s CPU 60.88s WALL ( 8240 calls) s_psi : 1.56s CPU 1.61s WALL ( 8240 calls) g_psi : 0.07s CPU 0.10s WALL ( 7264 calls) cdiaghg : 23.74s CPU 24.21s WALL ( 7744 calls) cegterg:over : 1.96s CPU 1.95s WALL ( 7264 calls) cegterg:upda : 1.36s CPU 1.42s WALL ( 7264 calls) cegterg:last : 0.90s CPU 0.89s WALL ( 1446 calls) cdiaghg:chol : 1.38s CPU 1.30s WALL ( 7744 calls) cdiaghg:inve : 0.54s CPU 0.56s WALL ( 7744 calls) cdiaghg:para : 1.36s CPU 1.47s WALL ( 15488 calls) Called by h_psi: h_psi:vloc : 55.20s CPU 56.13s WALL ( 8240 calls) h_psi:vnl : 4.60s CPU 4.69s WALL ( 8240 calls) add_vuspsi : 2.54s CPU 2.64s WALL ( 8240 calls) General routines calbec : 2.03s CPU 2.04s WALL ( 8240 calls) fft : 0.00s CPU 0.00s WALL ( 15 calls) fftw : 52.58s CPU 53.40s WALL ( 527824 calls) davcio : 0.13s CPU 0.20s WALL ( 960 calls) Parallel routines fft_scatter : 16.35s CPU 17.05s WALL ( 527839 calls) PWSCF : 1m46.39s CPU 2m16.94s WALL This run was terminated on: 18:36:39 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=