Program PWSCF v.5.1.1 starts on 30Jul2015 at 17:31:56 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./CrC.save/ file Cr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3P 3P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 17 7 2 383 103 18 Max 18 8 3 388 112 23 Sum 823 361 121 18471 5195 1009 bravais-lattice index = 14 lattice parameter (alat) = 5.1155 a.u. unit-cell volume = 112.0318 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 18.00 number of Kohn-Sham states= 26 kinetic-energy cutoff = 49.0000 Ry charge density cutoff = 457.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.115488 celldm(2)= 1.000000 celldm(3)= 0.966383 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 0.966383 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 1.034786 ) PseudoPot. # 1 for Cr read from file: /home/autes/Pseudo/Cr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 5eb7f017135fb502322d448d1515490d Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1183 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for C read from file: /home/autes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Cr 14.00 51.99610 Cr( 1.00) C 4.00 12.01070 C( 1.00) 12 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,1,0] cryst. s( 2) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 5) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [2,1,0] cryst. s( 6) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 6) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 7) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 7) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 60 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 9) = ( -0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 60 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s(10) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3h (-62m) there are 9 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3C2' s_h 2S3 -2S3 3s_v -3C2' -s_h' -3s_v G_7 2.00 -2.00 1.00 -1.00 0.00 0.00 1.73 -1.73 0.00 G_8 2.00 -2.00 1.00 -1.00 0.00 0.00 -1.73 1.73 0.00 G_9 2.00 -2.00 -2.00 2.00 0.00 0.00 0.00 0.00 0.00 the symmetry operations in each class: E 1 3C2'-3C2' 2 -6 -5 -2 5 6 2C3 3 4 3s_v-3s_v 7 -7 3s_v-3s_v 8 -8 11 -12 -11 12 2S3 9 10 -E -1 -2C3 -3 -4 -2S3 -9 -10 Cartesian axes number of k points= 562 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0017794 k( 2) = ( 0.0073529 0.0042452 -0.0000000), wk = 0.0017794 k( 3) = ( 0.0147059 0.0084904 -0.0000000), wk = 0.0017794 k( 4) = ( 0.0220588 0.0127357 -0.0000000), wk = 0.0017794 k( 5) = ( 0.0294118 0.0169809 -0.0000000), wk = 0.0017794 k( 6) = ( 0.0367647 0.0212261 -0.0000000), wk = 0.0017794 k( 7) = ( 0.0441177 0.0254713 -0.0000000), wk = 0.0017794 k( 8) = ( 0.0514706 0.0297166 -0.0000000), wk = 0.0017794 k( 9) = ( 0.0588235 0.0339618 -0.0000000), wk = 0.0017794 k( 10) = ( 0.0661765 0.0382070 -0.0000000), wk = 0.0017794 k( 11) = ( 0.0735294 0.0424522 -0.0000000), wk = 0.0017794 k( 12) = ( 0.0808824 0.0466974 -0.0000000), wk = 0.0017794 k( 13) = ( 0.0882353 0.0509427 -0.0000000), wk = 0.0017794 k( 14) = ( 0.0955882 0.0551879 -0.0000000), wk = 0.0017794 k( 15) = ( 0.1029412 0.0594331 -0.0000000), wk = 0.0017794 k( 16) = ( 0.1102941 0.0636783 -0.0000000), wk = 0.0017794 k( 17) = ( 0.1176471 0.0679236 -0.0000000), wk = 0.0017794 k( 18) = ( 0.1250000 0.0721688 -0.0000000), wk = 0.0017794 k( 19) = ( 0.1323529 0.0764140 -0.0000000), wk = 0.0017794 k( 20) = ( 0.1397059 0.0806592 -0.0000000), wk = 0.0017794 k( 21) = ( 0.1470588 0.0849044 -0.0000000), wk = 0.0017794 k( 22) = ( 0.1544118 0.0891497 -0.0000000), wk = 0.0017794 k( 23) = ( 0.1617647 0.0933949 -0.0000000), wk = 0.0017794 k( 24) = ( 0.1691177 0.0976401 -0.0000000), wk = 0.0017794 k( 25) = ( 0.1764706 0.1018853 -0.0000000), wk = 0.0017794 k( 26) = ( 0.1838235 0.1061306 -0.0000000), wk = 0.0017794 k( 27) = ( 0.1911765 0.1103758 -0.0000000), wk = 0.0017794 k( 28) = ( 0.1985294 0.1146210 -0.0000000), wk = 0.0017794 k( 29) = ( 0.2058823 0.1188662 -0.0000000), wk = 0.0017794 k( 30) = ( 0.2132353 0.1231115 -0.0000000), wk = 0.0017794 k( 31) = ( 0.2205882 0.1273567 -0.0000000), wk = 0.0017794 k( 32) = ( 0.2279412 0.1316019 -0.0000000), wk = 0.0017794 k( 33) = ( 0.2352941 0.1358471 -0.0000000), wk = 0.0017794 k( 34) = ( 0.2426471 0.1400923 -0.0000000), wk = 0.0017794 k( 35) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0017794 k( 36) = ( 0.2573529 0.1485828 -0.0000000), wk = 0.0017794 k( 37) = ( 0.2647059 0.1528280 -0.0000000), wk = 0.0017794 k( 38) = ( 0.2720588 0.1570732 -0.0000000), wk = 0.0017794 k( 39) = ( 0.2794118 0.1613185 -0.0000000), wk = 0.0017794 k( 40) = ( 0.2867647 0.1655637 -0.0000000), wk = 0.0017794 k( 41) = ( 0.2941177 0.1698089 -0.0000000), wk = 0.0017794 k( 42) = ( 0.3014706 0.1740541 -0.0000000), wk = 0.0017794 k( 43) = ( 0.3088235 0.1782993 -0.0000000), wk = 0.0017794 k( 44) = ( 0.3161765 0.1825446 -0.0000000), wk = 0.0017794 k( 45) = ( 0.3235294 0.1867898 -0.0000000), wk = 0.0017794 k( 46) = ( 0.3308823 0.1910350 -0.0000000), wk = 0.0017794 k( 47) = ( 0.3382353 0.1952802 -0.0000000), wk = 0.0017794 k( 48) = ( 0.3455882 0.1995255 -0.0000000), wk = 0.0017794 k( 49) = ( 0.3529412 0.2037707 -0.0000000), wk = 0.0017794 k( 50) = ( 0.3602941 0.2080159 -0.0000000), wk = 0.0017794 k( 51) = ( 0.3676471 0.2122611 -0.0000000), wk = 0.0017794 k( 52) = ( 0.3750000 0.2165064 -0.0000000), wk = 0.0017794 k( 53) = ( 0.3823529 0.2207516 -0.0000000), wk = 0.0017794 k( 54) = ( 0.3897059 0.2249968 -0.0000000), wk = 0.0017794 k( 55) = ( 0.3970588 0.2292420 -0.0000000), wk = 0.0017794 k( 56) = ( 0.4044118 0.2334872 -0.0000000), wk = 0.0017794 k( 57) = ( 0.4117647 0.2377325 -0.0000000), wk = 0.0017794 k( 58) = ( 0.4191177 0.2419777 -0.0000000), wk = 0.0017794 k( 59) = ( 0.4264706 0.2462229 -0.0000000), wk = 0.0017794 k( 60) = ( 0.4338235 0.2504681 -0.0000000), wk = 0.0017794 k( 61) = ( 0.4411765 0.2547134 -0.0000000), wk = 0.0017794 k( 62) = ( 0.4485294 0.2589586 -0.0000000), wk = 0.0017794 k( 63) = ( 0.4558823 0.2632038 -0.0000000), wk = 0.0017794 k( 64) = ( 0.4632353 0.2674490 -0.0000000), wk = 0.0017794 k( 65) = ( 0.4705882 0.2716942 -0.0000000), wk = 0.0017794 k( 66) = ( 0.4779412 0.2759395 -0.0000000), wk = 0.0017794 k( 67) = ( 0.4852941 0.2801847 -0.0000000), wk = 0.0017794 k( 68) = ( 0.4926471 0.2844299 -0.0000000), wk = 0.0017794 k( 69) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0017794 k( 70) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0017794 k( 71) = ( 0.4957265 0.2960771 -0.0000000), wk = 0.0017794 k( 72) = ( 0.4914530 0.3034790 -0.0000000), wk = 0.0017794 k( 73) = ( 0.4871795 0.3108809 -0.0000000), wk = 0.0017794 k( 74) = ( 0.4829060 0.3182828 -0.0000000), wk = 0.0017794 k( 75) = ( 0.4786325 0.3256848 -0.0000000), wk = 0.0017794 k( 76) = ( 0.4743590 0.3330867 -0.0000000), wk = 0.0017794 k( 77) = ( 0.4700855 0.3404886 -0.0000000), wk = 0.0017794 k( 78) = ( 0.4658120 0.3478906 -0.0000000), wk = 0.0017794 k( 79) = ( 0.4615385 0.3552925 -0.0000000), wk = 0.0017794 k( 80) = ( 0.4572650 0.3626944 -0.0000000), wk = 0.0017794 k( 81) = ( 0.4529915 0.3700963 -0.0000000), wk = 0.0017794 k( 82) = ( 0.4487179 0.3774983 -0.0000000), wk = 0.0017794 k( 83) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0017794 k( 84) = ( 0.4401709 0.3923021 -0.0000000), wk = 0.0017794 k( 85) = ( 0.4358974 0.3997040 -0.0000000), wk = 0.0017794 k( 86) = ( 0.4316239 0.4071060 -0.0000000), wk = 0.0017794 k( 87) = ( 0.4273504 0.4145079 -0.0000000), wk = 0.0017794 k( 88) = ( 0.4230769 0.4219098 -0.0000000), wk = 0.0017794 k( 89) = ( 0.4188034 0.4293117 -0.0000000), wk = 0.0017794 k( 90) = ( 0.4145299 0.4367137 -0.0000000), wk = 0.0017794 k( 91) = ( 0.4102564 0.4441156 -0.0000000), wk = 0.0017794 k( 92) = ( 0.4059829 0.4515175 -0.0000000), wk = 0.0017794 k( 93) = ( 0.4017094 0.4589194 -0.0000000), wk = 0.0017794 k( 94) = ( 0.3974359 0.4663214 -0.0000000), wk = 0.0017794 k( 95) = ( 0.3931624 0.4737233 -0.0000000), wk = 0.0017794 k( 96) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0017794 k( 97) = ( 0.3846154 0.4885271 -0.0000000), wk = 0.0017794 k( 98) = ( 0.3803419 0.4959291 -0.0000000), wk = 0.0017794 k( 99) = ( 0.3760684 0.5033310 -0.0000000), wk = 0.0017794 k( 100) = ( 0.3717949 0.5107329 -0.0000000), wk = 0.0017794 k( 101) = ( 0.3675214 0.5181349 -0.0000000), wk = 0.0017794 k( 102) = ( 0.3632479 0.5255368 -0.0000000), wk = 0.0017794 k( 103) = ( 0.3589744 0.5329387 -0.0000000), wk = 0.0017794 k( 104) = ( 0.3547009 0.5403406 -0.0000000), wk = 0.0017794 k( 105) = ( 0.3504274 0.5477426 -0.0000000), wk = 0.0017794 k( 106) = ( 0.3461538 0.5551445 -0.0000000), wk = 0.0017794 k( 107) = ( 0.3418803 0.5625464 -0.0000000), wk = 0.0017794 k( 108) = ( 0.3376068 0.5699483 -0.0000000), wk = 0.0017794 k( 109) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0017794 k( 110) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0017794 k( 111) = ( 0.3290598 0.5699483 -0.0000000), wk = 0.0017794 k( 112) = ( 0.3247863 0.5625464 -0.0000000), wk = 0.0017794 k( 113) = ( 0.3205128 0.5551445 -0.0000000), wk = 0.0017794 k( 114) = ( 0.3162393 0.5477426 -0.0000000), wk = 0.0017794 k( 115) = ( 0.3119658 0.5403406 -0.0000000), wk = 0.0017794 k( 116) = ( 0.3076923 0.5329387 -0.0000000), wk = 0.0017794 k( 117) = ( 0.3034188 0.5255368 -0.0000000), wk = 0.0017794 k( 118) = ( 0.2991453 0.5181349 -0.0000000), wk = 0.0017794 k( 119) = ( 0.2948718 0.5107329 -0.0000000), wk = 0.0017794 k( 120) = ( 0.2905983 0.5033310 -0.0000000), wk = 0.0017794 k( 121) = ( 0.2863248 0.4959291 -0.0000000), wk = 0.0017794 k( 122) = ( 0.2820513 0.4885271 -0.0000000), wk = 0.0017794 k( 123) = ( 0.2777778 0.4811252 -0.0000000), wk = 0.0017794 k( 124) = ( 0.2735043 0.4737233 -0.0000000), wk = 0.0017794 k( 125) = ( 0.2692308 0.4663214 -0.0000000), wk = 0.0017794 k( 126) = ( 0.2649573 0.4589194 -0.0000000), wk = 0.0017794 k( 127) = ( 0.2606838 0.4515175 -0.0000000), wk = 0.0017794 k( 128) = ( 0.2564103 0.4441156 -0.0000000), wk = 0.0017794 k( 129) = ( 0.2521368 0.4367137 -0.0000000), wk = 0.0017794 k( 130) = ( 0.2478633 0.4293117 -0.0000000), wk = 0.0017794 k( 131) = ( 0.2435897 0.4219098 -0.0000000), wk = 0.0017794 k( 132) = ( 0.2393162 0.4145079 -0.0000000), wk = 0.0017794 k( 133) = ( 0.2350427 0.4071060 -0.0000000), wk = 0.0017794 k( 134) = ( 0.2307692 0.3997040 -0.0000000), wk = 0.0017794 k( 135) = ( 0.2264957 0.3923021 -0.0000000), wk = 0.0017794 k( 136) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0017794 k( 137) = ( 0.2179487 0.3774983 -0.0000000), wk = 0.0017794 k( 138) = ( 0.2136752 0.3700963 -0.0000000), wk = 0.0017794 k( 139) = ( 0.2094017 0.3626944 -0.0000000), wk = 0.0017794 k( 140) = ( 0.2051282 0.3552925 -0.0000000), wk = 0.0017794 k( 141) = ( 0.2008547 0.3478905 -0.0000000), wk = 0.0017794 k( 142) = ( 0.1965812 0.3404886 -0.0000000), wk = 0.0017794 k( 143) = ( 0.1923077 0.3330867 -0.0000000), wk = 0.0017794 k( 144) = ( 0.1880342 0.3256848 -0.0000000), wk = 0.0017794 k( 145) = ( 0.1837607 0.3182828 -0.0000000), wk = 0.0017794 k( 146) = ( 0.1794872 0.3108809 -0.0000000), wk = 0.0017794 k( 147) = ( 0.1752137 0.3034790 -0.0000000), wk = 0.0017794 k( 148) = ( 0.1709402 0.2960771 -0.0000000), wk = 0.0017794 k( 149) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0017794 k( 150) = ( 0.1623932 0.2812732 -0.0000000), wk = 0.0017794 k( 151) = ( 0.1581197 0.2738713 -0.0000000), wk = 0.0017794 k( 152) = ( 0.1538461 0.2664693 -0.0000000), wk = 0.0017794 k( 153) = ( 0.1495727 0.2590674 -0.0000000), wk = 0.0017794 k( 154) = ( 0.1452991 0.2516655 -0.0000000), wk = 0.0017794 k( 155) = ( 0.1410256 0.2442636 -0.0000000), wk = 0.0017794 k( 156) = ( 0.1367521 0.2368617 -0.0000000), wk = 0.0017794 k( 157) = ( 0.1324786 0.2294597 -0.0000000), wk = 0.0017794 k( 158) = ( 0.1282051 0.2220578 -0.0000000), wk = 0.0017794 k( 159) = ( 0.1239316 0.2146559 -0.0000000), wk = 0.0017794 k( 160) = ( 0.1196581 0.2072539 -0.0000000), wk = 0.0017794 k( 161) = ( 0.1153846 0.1998520 -0.0000000), wk = 0.0017794 k( 162) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0017794 k( 163) = ( 0.1068376 0.1850482 -0.0000000), wk = 0.0017794 k( 164) = ( 0.1025641 0.1776462 -0.0000000), wk = 0.0017794 k( 165) = ( 0.0982906 0.1702443 -0.0000000), wk = 0.0017794 k( 166) = ( 0.0940171 0.1628424 -0.0000000), wk = 0.0017794 k( 167) = ( 0.0897436 0.1554405 -0.0000000), wk = 0.0017794 k( 168) = ( 0.0854701 0.1480385 -0.0000000), wk = 0.0017794 k( 169) = ( 0.0811966 0.1406366 -0.0000000), wk = 0.0017794 k( 170) = ( 0.0769231 0.1332347 -0.0000000), wk = 0.0017794 k( 171) = ( 0.0726496 0.1258327 -0.0000000), wk = 0.0017794 k( 172) = ( 0.0683761 0.1184308 -0.0000000), wk = 0.0017794 k( 173) = ( 0.0641026 0.1110289 -0.0000000), wk = 0.0017794 k( 174) = ( 0.0598291 0.1036270 -0.0000000), wk = 0.0017794 k( 175) = ( 0.0555556 0.0962251 -0.0000000), wk = 0.0017794 k( 176) = ( 0.0512821 0.0888231 -0.0000000), wk = 0.0017794 k( 177) = ( 0.0470086 0.0814212 -0.0000000), wk = 0.0017794 k( 178) = ( 0.0427350 0.0740193 -0.0000000), wk = 0.0017794 k( 179) = ( 0.0384615 0.0666173 -0.0000000), wk = 0.0017794 k( 180) = ( 0.0341880 0.0592154 -0.0000000), wk = 0.0017794 k( 181) = ( 0.0299145 0.0518135 -0.0000000), wk = 0.0017794 k( 182) = ( 0.0256410 0.0444116 -0.0000000), wk = 0.0017794 k( 183) = ( 0.0213675 0.0370096 -0.0000000), wk = 0.0017794 k( 184) = ( 0.0170940 0.0296077 -0.0000000), wk = 0.0017794 k( 185) = ( 0.0128205 0.0222058 -0.0000000), wk = 0.0017794 k( 186) = ( 0.0085470 0.0148039 -0.0000000), wk = 0.0017794 k( 187) = ( 0.0042735 0.0074019 -0.0000000), wk = 0.0017794 k( 188) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0017794 k( 189) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0017794 k( 190) = ( 0.0000000 0.0000000 0.0084819), wk = 0.0017794 k( 191) = ( 0.0000000 0.0000000 0.0169637), wk = 0.0017794 k( 192) = ( 0.0000000 0.0000000 0.0254456), wk = 0.0017794 k( 193) = ( 0.0000000 0.0000000 0.0339274), wk = 0.0017794 k( 194) = ( 0.0000000 0.0000000 0.0424093), wk = 0.0017794 k( 195) = ( 0.0000000 0.0000000 0.0508911), wk = 0.0017794 k( 196) = ( 0.0000000 0.0000000 0.0593730), wk = 0.0017794 k( 197) = ( 0.0000000 0.0000000 0.0678548), wk = 0.0017794 k( 198) = ( 0.0000000 0.0000000 0.0763367), wk = 0.0017794 k( 199) = ( 0.0000000 0.0000000 0.0848185), wk = 0.0017794 k( 200) = ( 0.0000000 0.0000000 0.0933004), wk = 0.0017794 k( 201) = ( 0.0000000 0.0000000 0.1017822), wk = 0.0017794 k( 202) = ( 0.0000000 0.0000000 0.1102641), wk = 0.0017794 k( 203) = ( 0.0000000 0.0000000 0.1187459), wk = 0.0017794 k( 204) = ( 0.0000000 0.0000000 0.1272278), wk = 0.0017794 k( 205) = ( 0.0000000 0.0000000 0.1357096), wk = 0.0017794 k( 206) = ( 0.0000000 0.0000000 0.1441915), wk = 0.0017794 k( 207) = ( 0.0000000 0.0000000 0.1526733), wk = 0.0017794 k( 208) = ( 0.0000000 0.0000000 0.1611552), wk = 0.0017794 k( 209) = ( 0.0000000 0.0000000 0.1696370), wk = 0.0017794 k( 210) = ( 0.0000000 0.0000000 0.1781189), wk = 0.0017794 k( 211) = ( 0.0000000 0.0000000 0.1866007), wk = 0.0017794 k( 212) = ( 0.0000000 0.0000000 0.1950826), wk = 0.0017794 k( 213) = ( 0.0000000 0.0000000 0.2035644), wk = 0.0017794 k( 214) = ( 0.0000000 0.0000000 0.2120463), wk = 0.0017794 k( 215) = ( 0.0000000 0.0000000 0.2205281), wk = 0.0017794 k( 216) = ( 0.0000000 0.0000000 0.2290100), wk = 0.0017794 k( 217) = ( 0.0000000 0.0000000 0.2374919), wk = 0.0017794 k( 218) = ( 0.0000000 0.0000000 0.2459737), wk = 0.0017794 k( 219) = ( 0.0000000 0.0000000 0.2544556), wk = 0.0017794 k( 220) = ( 0.0000000 0.0000000 0.2629374), wk = 0.0017794 k( 221) = ( 0.0000000 0.0000000 0.2714193), wk = 0.0017794 k( 222) = ( 0.0000000 0.0000000 0.2799011), wk = 0.0017794 k( 223) = ( 0.0000000 0.0000000 0.2883830), wk = 0.0017794 k( 224) = ( 0.0000000 0.0000000 0.2968648), wk = 0.0017794 k( 225) = ( 0.0000000 0.0000000 0.3053467), wk = 0.0017794 k( 226) = ( 0.0000000 0.0000000 0.3138285), wk = 0.0017794 k( 227) = ( 0.0000000 0.0000000 0.3223104), wk = 0.0017794 k( 228) = ( 0.0000000 0.0000000 0.3307922), wk = 0.0017794 k( 229) = ( 0.0000000 0.0000000 0.3392741), wk = 0.0017794 k( 230) = ( 0.0000000 0.0000000 0.3477559), wk = 0.0017794 k( 231) = ( 0.0000000 0.0000000 0.3562378), wk = 0.0017794 k( 232) = ( 0.0000000 0.0000000 0.3647196), wk = 0.0017794 k( 233) = ( 0.0000000 0.0000000 0.3732015), wk = 0.0017794 k( 234) = ( 0.0000000 0.0000000 0.3816833), wk = 0.0017794 k( 235) = ( 0.0000000 0.0000000 0.3901652), wk = 0.0017794 k( 236) = ( 0.0000000 0.0000000 0.3986470), wk = 0.0017794 k( 237) = ( 0.0000000 0.0000000 0.4071289), wk = 0.0017794 k( 238) = ( 0.0000000 0.0000000 0.4156107), wk = 0.0017794 k( 239) = ( 0.0000000 0.0000000 0.4240926), wk = 0.0017794 k( 240) = ( 0.0000000 0.0000000 0.4325745), wk = 0.0017794 k( 241) = ( 0.0000000 0.0000000 0.4410563), wk = 0.0017794 k( 242) = ( 0.0000000 0.0000000 0.4495382), wk = 0.0017794 k( 243) = ( 0.0000000 0.0000000 0.4580200), wk = 0.0017794 k( 244) = ( 0.0000000 0.0000000 0.4665019), wk = 0.0017794 k( 245) = ( 0.0000000 0.0000000 0.4749837), wk = 0.0017794 k( 246) = ( 0.0000000 0.0000000 0.4834656), wk = 0.0017794 k( 247) = ( 0.0000000 0.0000000 0.4919474), wk = 0.0017794 k( 248) = ( 0.0000000 0.0000000 0.5004293), wk = 0.0017794 k( 249) = ( 0.0000000 0.0000000 0.5089111), wk = 0.0017794 k( 250) = ( 0.0000000 0.0000000 0.5173930), wk = 0.0017794 k( 251) = ( 0.0000000 0.0000000 0.5173930), wk = 0.0017794 k( 252) = ( 0.0073529 0.0042452 0.5173930), wk = 0.0017794 k( 253) = ( 0.0147059 0.0084904 0.5173930), wk = 0.0017794 k( 254) = ( 0.0220588 0.0127357 0.5173930), wk = 0.0017794 k( 255) = ( 0.0294118 0.0169809 0.5173930), wk = 0.0017794 k( 256) = ( 0.0367647 0.0212261 0.5173930), wk = 0.0017794 k( 257) = ( 0.0441177 0.0254713 0.5173930), wk = 0.0017794 k( 258) = ( 0.0514706 0.0297166 0.5173930), wk = 0.0017794 k( 259) = ( 0.0588235 0.0339618 0.5173930), wk = 0.0017794 k( 260) = ( 0.0661765 0.0382070 0.5173930), wk = 0.0017794 k( 261) = ( 0.0735294 0.0424522 0.5173930), wk = 0.0017794 k( 262) = ( 0.0808824 0.0466974 0.5173930), wk = 0.0017794 k( 263) = ( 0.0882353 0.0509427 0.5173930), wk = 0.0017794 k( 264) = ( 0.0955882 0.0551879 0.5173930), wk = 0.0017794 k( 265) = ( 0.1029412 0.0594331 0.5173930), wk = 0.0017794 k( 266) = ( 0.1102941 0.0636783 0.5173930), wk = 0.0017794 k( 267) = ( 0.1176471 0.0679236 0.5173930), wk = 0.0017794 k( 268) = ( 0.1250000 0.0721688 0.5173930), wk = 0.0017794 k( 269) = ( 0.1323529 0.0764140 0.5173930), wk = 0.0017794 k( 270) = ( 0.1397059 0.0806592 0.5173930), wk = 0.0017794 k( 271) = ( 0.1470588 0.0849044 0.5173930), wk = 0.0017794 k( 272) = ( 0.1544118 0.0891497 0.5173930), wk = 0.0017794 k( 273) = ( 0.1617647 0.0933949 0.5173930), wk = 0.0017794 k( 274) = ( 0.1691177 0.0976401 0.5173930), wk = 0.0017794 k( 275) = ( 0.1764706 0.1018853 0.5173930), wk = 0.0017794 k( 276) = ( 0.1838235 0.1061306 0.5173930), wk = 0.0017794 k( 277) = ( 0.1911765 0.1103758 0.5173930), wk = 0.0017794 k( 278) = ( 0.1985294 0.1146210 0.5173930), wk = 0.0017794 k( 279) = ( 0.2058823 0.1188662 0.5173930), wk = 0.0017794 k( 280) = ( 0.2132353 0.1231115 0.5173930), wk = 0.0017794 k( 281) = ( 0.2205882 0.1273567 0.5173930), wk = 0.0017794 k( 282) = ( 0.2279412 0.1316019 0.5173930), wk = 0.0017794 k( 283) = ( 0.2352941 0.1358471 0.5173930), wk = 0.0017794 k( 284) = ( 0.2426471 0.1400923 0.5173930), wk = 0.0017794 k( 285) = ( 0.2500000 0.1443376 0.5173930), wk = 0.0017794 k( 286) = ( 0.2573529 0.1485828 0.5173930), wk = 0.0017794 k( 287) = ( 0.2647059 0.1528280 0.5173930), wk = 0.0017794 k( 288) = ( 0.2720588 0.1570732 0.5173930), wk = 0.0017794 k( 289) = ( 0.2794118 0.1613185 0.5173930), wk = 0.0017794 k( 290) = ( 0.2867647 0.1655637 0.5173930), wk = 0.0017794 k( 291) = ( 0.2941177 0.1698089 0.5173930), wk = 0.0017794 k( 292) = ( 0.3014706 0.1740541 0.5173930), wk = 0.0017794 k( 293) = ( 0.3088235 0.1782993 0.5173930), wk = 0.0017794 k( 294) = ( 0.3161765 0.1825446 0.5173930), wk = 0.0017794 k( 295) = ( 0.3235294 0.1867898 0.5173930), wk = 0.0017794 k( 296) = ( 0.3308823 0.1910350 0.5173930), wk = 0.0017794 k( 297) = ( 0.3382353 0.1952802 0.5173930), wk = 0.0017794 k( 298) = ( 0.3455882 0.1995255 0.5173930), wk = 0.0017794 k( 299) = ( 0.3529412 0.2037707 0.5173930), wk = 0.0017794 k( 300) = ( 0.3602941 0.2080159 0.5173930), wk = 0.0017794 k( 301) = ( 0.3676471 0.2122611 0.5173930), wk = 0.0017794 k( 302) = ( 0.3750000 0.2165064 0.5173930), wk = 0.0017794 k( 303) = ( 0.3823529 0.2207516 0.5173930), wk = 0.0017794 k( 304) = ( 0.3897059 0.2249968 0.5173930), wk = 0.0017794 k( 305) = ( 0.3970588 0.2292420 0.5173930), wk = 0.0017794 k( 306) = ( 0.4044118 0.2334872 0.5173930), wk = 0.0017794 k( 307) = ( 0.4117647 0.2377325 0.5173930), wk = 0.0017794 k( 308) = ( 0.4191177 0.2419777 0.5173930), wk = 0.0017794 k( 309) = ( 0.4264706 0.2462229 0.5173930), wk = 0.0017794 k( 310) = ( 0.4338235 0.2504681 0.5173930), wk = 0.0017794 k( 311) = ( 0.4411765 0.2547134 0.5173930), wk = 0.0017794 k( 312) = ( 0.4485294 0.2589586 0.5173930), wk = 0.0017794 k( 313) = ( 0.4558823 0.2632038 0.5173930), wk = 0.0017794 k( 314) = ( 0.4632353 0.2674490 0.5173930), wk = 0.0017794 k( 315) = ( 0.4705882 0.2716942 0.5173930), wk = 0.0017794 k( 316) = ( 0.4779412 0.2759395 0.5173930), wk = 0.0017794 k( 317) = ( 0.4852941 0.2801847 0.5173930), wk = 0.0017794 k( 318) = ( 0.4926471 0.2844299 0.5173930), wk = 0.0017794 k( 319) = ( 0.5000000 0.2886751 0.5173930), wk = 0.0017794 k( 320) = ( 0.5000000 0.2886751 0.5173930), wk = 0.0017794 k( 321) = ( 0.4957265 0.2960771 0.5173930), wk = 0.0017794 k( 322) = ( 0.4914530 0.3034790 0.5173930), wk = 0.0017794 k( 323) = ( 0.4871795 0.3108809 0.5173930), wk = 0.0017794 k( 324) = ( 0.4829060 0.3182828 0.5173930), wk = 0.0017794 k( 325) = ( 0.4786325 0.3256848 0.5173930), wk = 0.0017794 k( 326) = ( 0.4743590 0.3330867 0.5173930), wk = 0.0017794 k( 327) = ( 0.4700855 0.3404886 0.5173930), wk = 0.0017794 k( 328) = ( 0.4658120 0.3478906 0.5173930), wk = 0.0017794 k( 329) = ( 0.4615385 0.3552925 0.5173930), wk = 0.0017794 k( 330) = ( 0.4572650 0.3626944 0.5173930), wk = 0.0017794 k( 331) = ( 0.4529915 0.3700963 0.5173930), wk = 0.0017794 k( 332) = ( 0.4487179 0.3774983 0.5173930), wk = 0.0017794 k( 333) = ( 0.4444444 0.3849002 0.5173930), wk = 0.0017794 k( 334) = ( 0.4401709 0.3923021 0.5173930), wk = 0.0017794 k( 335) = ( 0.4358974 0.3997040 0.5173930), wk = 0.0017794 k( 336) = ( 0.4316239 0.4071060 0.5173930), wk = 0.0017794 k( 337) = ( 0.4273504 0.4145079 0.5173930), wk = 0.0017794 k( 338) = ( 0.4230769 0.4219098 0.5173930), wk = 0.0017794 k( 339) = ( 0.4188034 0.4293117 0.5173930), wk = 0.0017794 k( 340) = ( 0.4145299 0.4367137 0.5173930), wk = 0.0017794 k( 341) = ( 0.4102564 0.4441156 0.5173930), wk = 0.0017794 k( 342) = ( 0.4059829 0.4515175 0.5173930), wk = 0.0017794 k( 343) = ( 0.4017094 0.4589194 0.5173930), wk = 0.0017794 k( 344) = ( 0.3974359 0.4663214 0.5173930), wk = 0.0017794 k( 345) = ( 0.3931624 0.4737233 0.5173930), wk = 0.0017794 k( 346) = ( 0.3888889 0.4811252 0.5173930), wk = 0.0017794 k( 347) = ( 0.3846154 0.4885271 0.5173930), wk = 0.0017794 k( 348) = ( 0.3803419 0.4959291 0.5173930), wk = 0.0017794 k( 349) = ( 0.3760684 0.5033310 0.5173930), wk = 0.0017794 k( 350) = ( 0.3717949 0.5107329 0.5173930), wk = 0.0017794 k( 351) = ( 0.3675214 0.5181349 0.5173930), wk = 0.0017794 k( 352) = ( 0.3632479 0.5255368 0.5173930), wk = 0.0017794 k( 353) = ( 0.3589744 0.5329387 0.5173930), wk = 0.0017794 k( 354) = ( 0.3547009 0.5403406 0.5173930), wk = 0.0017794 k( 355) = ( 0.3504274 0.5477426 0.5173930), wk = 0.0017794 k( 356) = ( 0.3461538 0.5551445 0.5173930), wk = 0.0017794 k( 357) = ( 0.3418803 0.5625464 0.5173930), wk = 0.0017794 k( 358) = ( 0.3376068 0.5699483 0.5173930), wk = 0.0017794 k( 359) = ( 0.3333333 0.5773503 0.5173930), wk = 0.0017794 k( 360) = ( 0.3333333 0.5773503 0.5173930), wk = 0.0017794 k( 361) = ( 0.3290598 0.5699483 0.5173930), wk = 0.0017794 k( 362) = ( 0.3247863 0.5625464 0.5173930), wk = 0.0017794 k( 363) = ( 0.3205128 0.5551445 0.5173930), wk = 0.0017794 k( 364) = ( 0.3162393 0.5477426 0.5173930), wk = 0.0017794 k( 365) = ( 0.3119658 0.5403406 0.5173930), wk = 0.0017794 k( 366) = ( 0.3076923 0.5329387 0.5173930), wk = 0.0017794 k( 367) = ( 0.3034188 0.5255368 0.5173930), wk = 0.0017794 k( 368) = ( 0.2991453 0.5181349 0.5173930), wk = 0.0017794 k( 369) = ( 0.2948718 0.5107329 0.5173930), wk = 0.0017794 k( 370) = ( 0.2905983 0.5033310 0.5173930), wk = 0.0017794 k( 371) = ( 0.2863248 0.4959291 0.5173930), wk = 0.0017794 k( 372) = ( 0.2820513 0.4885271 0.5173930), wk = 0.0017794 k( 373) = ( 0.2777778 0.4811252 0.5173930), wk = 0.0017794 k( 374) = ( 0.2735043 0.4737233 0.5173930), wk = 0.0017794 k( 375) = ( 0.2692308 0.4663214 0.5173930), wk = 0.0017794 k( 376) = ( 0.2649573 0.4589194 0.5173930), wk = 0.0017794 k( 377) = ( 0.2606838 0.4515175 0.5173930), wk = 0.0017794 k( 378) = ( 0.2564103 0.4441156 0.5173930), wk = 0.0017794 k( 379) = ( 0.2521368 0.4367137 0.5173930), wk = 0.0017794 k( 380) = ( 0.2478633 0.4293117 0.5173930), wk = 0.0017794 k( 381) = ( 0.2435897 0.4219098 0.5173930), wk = 0.0017794 k( 382) = ( 0.2393162 0.4145079 0.5173930), wk = 0.0017794 k( 383) = ( 0.2350427 0.4071060 0.5173930), wk = 0.0017794 k( 384) = ( 0.2307692 0.3997040 0.5173930), wk = 0.0017794 k( 385) = ( 0.2264957 0.3923021 0.5173930), wk = 0.0017794 k( 386) = ( 0.2222222 0.3849002 0.5173930), wk = 0.0017794 k( 387) = ( 0.2179487 0.3774983 0.5173930), wk = 0.0017794 k( 388) = ( 0.2136752 0.3700963 0.5173930), wk = 0.0017794 k( 389) = ( 0.2094017 0.3626944 0.5173930), wk = 0.0017794 k( 390) = ( 0.2051282 0.3552925 0.5173930), wk = 0.0017794 k( 391) = ( 0.2008547 0.3478905 0.5173930), wk = 0.0017794 k( 392) = ( 0.1965812 0.3404886 0.5173930), wk = 0.0017794 k( 393) = ( 0.1923077 0.3330867 0.5173930), wk = 0.0017794 k( 394) = ( 0.1880342 0.3256848 0.5173930), wk = 0.0017794 k( 395) = ( 0.1837607 0.3182828 0.5173930), wk = 0.0017794 k( 396) = ( 0.1794872 0.3108809 0.5173930), wk = 0.0017794 k( 397) = ( 0.1752137 0.3034790 0.5173930), wk = 0.0017794 k( 398) = ( 0.1709402 0.2960771 0.5173930), wk = 0.0017794 k( 399) = ( 0.1666667 0.2886751 0.5173930), wk = 0.0017794 k( 400) = ( 0.1623932 0.2812732 0.5173930), wk = 0.0017794 k( 401) = ( 0.1581197 0.2738713 0.5173930), wk = 0.0017794 k( 402) = ( 0.1538461 0.2664693 0.5173930), wk = 0.0017794 k( 403) = ( 0.1495727 0.2590674 0.5173930), wk = 0.0017794 k( 404) = ( 0.1452991 0.2516655 0.5173930), wk = 0.0017794 k( 405) = ( 0.1410256 0.2442636 0.5173930), wk = 0.0017794 k( 406) = ( 0.1367521 0.2368617 0.5173930), wk = 0.0017794 k( 407) = ( 0.1324786 0.2294597 0.5173930), wk = 0.0017794 k( 408) = ( 0.1282051 0.2220578 0.5173930), wk = 0.0017794 k( 409) = ( 0.1239316 0.2146559 0.5173930), wk = 0.0017794 k( 410) = ( 0.1196581 0.2072539 0.5173930), wk = 0.0017794 k( 411) = ( 0.1153846 0.1998520 0.5173930), wk = 0.0017794 k( 412) = ( 0.1111111 0.1924501 0.5173930), wk = 0.0017794 k( 413) = ( 0.1068376 0.1850482 0.5173930), wk = 0.0017794 k( 414) = ( 0.1025641 0.1776462 0.5173930), wk = 0.0017794 k( 415) = ( 0.0982906 0.1702443 0.5173930), wk = 0.0017794 k( 416) = ( 0.0940171 0.1628424 0.5173930), wk = 0.0017794 k( 417) = ( 0.0897436 0.1554405 0.5173930), wk = 0.0017794 k( 418) = ( 0.0854701 0.1480385 0.5173930), wk = 0.0017794 k( 419) = ( 0.0811966 0.1406366 0.5173930), wk = 0.0017794 k( 420) = ( 0.0769231 0.1332347 0.5173930), wk = 0.0017794 k( 421) = ( 0.0726496 0.1258327 0.5173930), wk = 0.0017794 k( 422) = ( 0.0683761 0.1184308 0.5173930), wk = 0.0017794 k( 423) = ( 0.0641026 0.1110289 0.5173930), wk = 0.0017794 k( 424) = ( 0.0598291 0.1036270 0.5173930), wk = 0.0017794 k( 425) = ( 0.0555556 0.0962251 0.5173930), wk = 0.0017794 k( 426) = ( 0.0512821 0.0888231 0.5173930), wk = 0.0017794 k( 427) = ( 0.0470086 0.0814212 0.5173930), wk = 0.0017794 k( 428) = ( 0.0427350 0.0740193 0.5173930), wk = 0.0017794 k( 429) = ( 0.0384615 0.0666173 0.5173930), wk = 0.0017794 k( 430) = ( 0.0341880 0.0592154 0.5173930), wk = 0.0017794 k( 431) = ( 0.0299145 0.0518135 0.5173930), wk = 0.0017794 k( 432) = ( 0.0256410 0.0444116 0.5173930), wk = 0.0017794 k( 433) = ( 0.0213675 0.0370096 0.5173930), wk = 0.0017794 k( 434) = ( 0.0170940 0.0296077 0.5173930), wk = 0.0017794 k( 435) = ( 0.0128205 0.0222058 0.5173930), wk = 0.0017794 k( 436) = ( 0.0085470 0.0148039 0.5173930), wk = 0.0017794 k( 437) = ( 0.0042735 0.0074019 0.5173930), wk = 0.0017794 k( 438) = ( 0.0000000 0.0000000 0.5173930), wk = 0.0017794 k( 439) = ( 0.5000000 0.2886751 0.5173930), wk = 0.0017794 k( 440) = ( 0.5000000 0.2886751 0.5089111), wk = 0.0017794 k( 441) = ( 0.5000000 0.2886751 0.5004293), wk = 0.0017794 k( 442) = ( 0.5000000 0.2886751 0.4919474), wk = 0.0017794 k( 443) = ( 0.5000000 0.2886751 0.4834656), wk = 0.0017794 k( 444) = ( 0.5000000 0.2886751 0.4749837), wk = 0.0017794 k( 445) = ( 0.5000000 0.2886751 0.4665019), wk = 0.0017794 k( 446) = ( 0.5000000 0.2886751 0.4580200), wk = 0.0017794 k( 447) = ( 0.5000000 0.2886751 0.4495382), wk = 0.0017794 k( 448) = ( 0.5000000 0.2886751 0.4410563), wk = 0.0017794 k( 449) = ( 0.5000000 0.2886751 0.4325745), wk = 0.0017794 k( 450) = ( 0.5000000 0.2886751 0.4240926), wk = 0.0017794 k( 451) = ( 0.5000000 0.2886751 0.4156107), wk = 0.0017794 k( 452) = ( 0.5000000 0.2886751 0.4071289), wk = 0.0017794 k( 453) = ( 0.5000000 0.2886751 0.3986470), wk = 0.0017794 k( 454) = ( 0.5000000 0.2886751 0.3901652), wk = 0.0017794 k( 455) = ( 0.5000000 0.2886751 0.3816833), wk = 0.0017794 k( 456) = ( 0.5000000 0.2886751 0.3732015), wk = 0.0017794 k( 457) = ( 0.5000000 0.2886751 0.3647196), wk = 0.0017794 k( 458) = ( 0.5000000 0.2886751 0.3562378), wk = 0.0017794 k( 459) = ( 0.5000000 0.2886751 0.3477559), wk = 0.0017794 k( 460) = ( 0.5000000 0.2886751 0.3392741), wk = 0.0017794 k( 461) = ( 0.5000000 0.2886751 0.3307922), wk = 0.0017794 k( 462) = ( 0.5000000 0.2886751 0.3223104), wk = 0.0017794 k( 463) = ( 0.5000000 0.2886751 0.3138285), wk = 0.0017794 k( 464) = ( 0.5000000 0.2886751 0.3053467), wk = 0.0017794 k( 465) = ( 0.5000000 0.2886751 0.2968648), wk = 0.0017794 k( 466) = ( 0.5000000 0.2886751 0.2883830), wk = 0.0017794 k( 467) = ( 0.5000000 0.2886751 0.2799011), wk = 0.0017794 k( 468) = ( 0.5000000 0.2886751 0.2714193), wk = 0.0017794 k( 469) = ( 0.5000000 0.2886751 0.2629374), wk = 0.0017794 k( 470) = ( 0.5000000 0.2886751 0.2544556), wk = 0.0017794 k( 471) = ( 0.5000000 0.2886751 0.2459737), wk = 0.0017794 k( 472) = ( 0.5000000 0.2886751 0.2374919), wk = 0.0017794 k( 473) = ( 0.5000000 0.2886751 0.2290100), wk = 0.0017794 k( 474) = ( 0.5000000 0.2886751 0.2205281), wk = 0.0017794 k( 475) = ( 0.5000000 0.2886751 0.2120463), wk = 0.0017794 k( 476) = ( 0.5000000 0.2886751 0.2035644), wk = 0.0017794 k( 477) = ( 0.5000000 0.2886751 0.1950826), wk = 0.0017794 k( 478) = ( 0.5000000 0.2886751 0.1866007), wk = 0.0017794 k( 479) = ( 0.5000000 0.2886751 0.1781189), wk = 0.0017794 k( 480) = ( 0.5000000 0.2886751 0.1696370), wk = 0.0017794 k( 481) = ( 0.5000000 0.2886751 0.1611552), wk = 0.0017794 k( 482) = ( 0.5000000 0.2886751 0.1526733), wk = 0.0017794 k( 483) = ( 0.5000000 0.2886751 0.1441915), wk = 0.0017794 k( 484) = ( 0.5000000 0.2886751 0.1357096), wk = 0.0017794 k( 485) = ( 0.5000000 0.2886751 0.1272278), wk = 0.0017794 k( 486) = ( 0.5000000 0.2886751 0.1187459), wk = 0.0017794 k( 487) = ( 0.5000000 0.2886751 0.1102641), wk = 0.0017794 k( 488) = ( 0.5000000 0.2886751 0.1017822), wk = 0.0017794 k( 489) = ( 0.5000000 0.2886751 0.0933004), wk = 0.0017794 k( 490) = ( 0.5000000 0.2886751 0.0848185), wk = 0.0017794 k( 491) = ( 0.5000000 0.2886751 0.0763367), wk = 0.0017794 k( 492) = ( 0.5000000 0.2886751 0.0678548), wk = 0.0017794 k( 493) = ( 0.5000000 0.2886751 0.0593730), wk = 0.0017794 k( 494) = ( 0.5000000 0.2886751 0.0508911), wk = 0.0017794 k( 495) = ( 0.5000000 0.2886751 0.0424093), wk = 0.0017794 k( 496) = ( 0.5000000 0.2886751 0.0339274), wk = 0.0017794 k( 497) = ( 0.5000000 0.2886751 0.0254456), wk = 0.0017794 k( 498) = ( 0.5000000 0.2886751 0.0169637), wk = 0.0017794 k( 499) = ( 0.5000000 0.2886751 0.0084819), wk = 0.0017794 k( 500) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0017794 k( 501) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0017794 k( 502) = ( 0.3333333 0.5773503 0.0084819), wk = 0.0017794 k( 503) = ( 0.3333333 0.5773503 0.0169637), wk = 0.0017794 k( 504) = ( 0.3333333 0.5773503 0.0254456), wk = 0.0017794 k( 505) = ( 0.3333333 0.5773503 0.0339274), wk = 0.0017794 k( 506) = ( 0.3333333 0.5773503 0.0424093), wk = 0.0017794 k( 507) = ( 0.3333333 0.5773503 0.0508911), wk = 0.0017794 k( 508) = ( 0.3333333 0.5773503 0.0593730), wk = 0.0017794 k( 509) = ( 0.3333333 0.5773503 0.0678548), wk = 0.0017794 k( 510) = ( 0.3333333 0.5773503 0.0763367), wk = 0.0017794 k( 511) = ( 0.3333333 0.5773503 0.0848185), wk = 0.0017794 k( 512) = ( 0.3333333 0.5773503 0.0933004), wk = 0.0017794 k( 513) = ( 0.3333333 0.5773503 0.1017822), wk = 0.0017794 k( 514) = ( 0.3333333 0.5773503 0.1102641), wk = 0.0017794 k( 515) = ( 0.3333333 0.5773503 0.1187459), wk = 0.0017794 k( 516) = ( 0.3333333 0.5773503 0.1272278), wk = 0.0017794 k( 517) = ( 0.3333333 0.5773503 0.1357096), wk = 0.0017794 k( 518) = ( 0.3333333 0.5773503 0.1441915), wk = 0.0017794 k( 519) = ( 0.3333333 0.5773503 0.1526733), wk = 0.0017794 k( 520) = ( 0.3333333 0.5773503 0.1611552), wk = 0.0017794 k( 521) = ( 0.3333333 0.5773503 0.1696370), wk = 0.0017794 k( 522) = ( 0.3333333 0.5773503 0.1781189), wk = 0.0017794 k( 523) = ( 0.3333333 0.5773503 0.1866007), wk = 0.0017794 k( 524) = ( 0.3333333 0.5773503 0.1950826), wk = 0.0017794 k( 525) = ( 0.3333333 0.5773503 0.2035644), wk = 0.0017794 k( 526) = ( 0.3333333 0.5773503 0.2120463), wk = 0.0017794 k( 527) = ( 0.3333333 0.5773503 0.2205281), wk = 0.0017794 k( 528) = ( 0.3333333 0.5773503 0.2290100), wk = 0.0017794 k( 529) = ( 0.3333333 0.5773503 0.2374919), wk = 0.0017794 k( 530) = ( 0.3333333 0.5773503 0.2459737), wk = 0.0017794 k( 531) = ( 0.3333333 0.5773503 0.2544556), wk = 0.0017794 k( 532) = ( 0.3333333 0.5773503 0.2629374), wk = 0.0017794 k( 533) = ( 0.3333333 0.5773503 0.2714193), wk = 0.0017794 k( 534) = ( 0.3333333 0.5773503 0.2799011), wk = 0.0017794 k( 535) = ( 0.3333333 0.5773503 0.2883830), wk = 0.0017794 k( 536) = ( 0.3333333 0.5773503 0.2968648), wk = 0.0017794 k( 537) = ( 0.3333333 0.5773503 0.3053467), wk = 0.0017794 k( 538) = ( 0.3333333 0.5773503 0.3138285), wk = 0.0017794 k( 539) = ( 0.3333333 0.5773503 0.3223104), wk = 0.0017794 k( 540) = ( 0.3333333 0.5773503 0.3307922), wk = 0.0017794 k( 541) = ( 0.3333333 0.5773503 0.3392741), wk = 0.0017794 k( 542) = ( 0.3333333 0.5773503 0.3477559), wk = 0.0017794 k( 543) = ( 0.3333333 0.5773503 0.3562378), wk = 0.0017794 k( 544) = ( 0.3333333 0.5773503 0.3647196), wk = 0.0017794 k( 545) = ( 0.3333333 0.5773503 0.3732015), wk = 0.0017794 k( 546) = ( 0.3333333 0.5773503 0.3816833), wk = 0.0017794 k( 547) = ( 0.3333333 0.5773503 0.3901652), wk = 0.0017794 k( 548) = ( 0.3333333 0.5773503 0.3986470), wk = 0.0017794 k( 549) = ( 0.3333333 0.5773503 0.4071289), wk = 0.0017794 k( 550) = ( 0.3333333 0.5773503 0.4156107), wk = 0.0017794 k( 551) = ( 0.3333333 0.5773503 0.4240926), wk = 0.0017794 k( 552) = ( 0.3333333 0.5773503 0.4325745), wk = 0.0017794 k( 553) = ( 0.3333333 0.5773503 0.4410563), wk = 0.0017794 k( 554) = ( 0.3333333 0.5773503 0.4495382), wk = 0.0017794 k( 555) = ( 0.3333333 0.5773503 0.4580200), wk = 0.0017794 k( 556) = ( 0.3333333 0.5773503 0.4665019), wk = 0.0017794 k( 557) = ( 0.3333333 0.5773503 0.4749837), wk = 0.0017794 k( 558) = ( 0.3333333 0.5773503 0.4834656), wk = 0.0017794 k( 559) = ( 0.3333333 0.5773503 0.4919474), wk = 0.0017794 k( 560) = ( 0.3333333 0.5773503 0.5004293), wk = 0.0017794 k( 561) = ( 0.3333333 0.5773503 0.5089111), wk = 0.0017794 k( 562) = ( 0.3333333 0.5773503 0.5173930), wk = 0.0017794 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0017794 k( 2) = ( 0.0073529 0.0000000 -0.0000000), wk = 0.0017794 k( 3) = ( 0.0147059 0.0000000 -0.0000000), wk = 0.0017794 k( 4) = ( 0.0220588 0.0000000 -0.0000000), wk = 0.0017794 k( 5) = ( 0.0294118 0.0000000 -0.0000000), wk = 0.0017794 k( 6) = ( 0.0367647 0.0000000 0.0000000), wk = 0.0017794 k( 7) = ( 0.0441177 0.0000000 0.0000000), wk = 0.0017794 k( 8) = ( 0.0514706 0.0000000 0.0000000), wk = 0.0017794 k( 9) = ( 0.0588235 0.0000000 0.0000000), wk = 0.0017794 k( 10) = ( 0.0661765 0.0000000 0.0000000), wk = 0.0017794 k( 11) = ( 0.0735294 0.0000000 0.0000000), wk = 0.0017794 k( 12) = ( 0.0808824 0.0000000 0.0000000), wk = 0.0017794 k( 13) = ( 0.0882353 0.0000000 0.0000000), wk = 0.0017794 k( 14) = ( 0.0955882 0.0000000 -0.0000000), wk = 0.0017794 k( 15) = ( 0.1029412 0.0000000 0.0000000), wk = 0.0017794 k( 16) = ( 0.1102941 0.0000000 0.0000000), wk = 0.0017794 k( 17) = ( 0.1176471 0.0000000 0.0000000), wk = 0.0017794 k( 18) = ( 0.1250000 0.0000000 -0.0000000), wk = 0.0017794 k( 19) = ( 0.1323529 0.0000000 0.0000000), wk = 0.0017794 k( 20) = ( 0.1397059 0.0000000 -0.0000000), wk = 0.0017794 k( 21) = ( 0.1470588 0.0000000 0.0000000), wk = 0.0017794 k( 22) = ( 0.1544118 0.0000000 0.0000000), wk = 0.0017794 k( 23) = ( 0.1617647 0.0000000 0.0000000), wk = 0.0017794 k( 24) = ( 0.1691177 0.0000000 0.0000000), wk = 0.0017794 k( 25) = ( 0.1764706 0.0000000 0.0000000), wk = 0.0017794 k( 26) = ( 0.1838235 0.0000000 0.0000000), wk = 0.0017794 k( 27) = ( 0.1911765 0.0000000 0.0000000), wk = 0.0017794 k( 28) = ( 0.1985294 0.0000000 0.0000000), wk = 0.0017794 k( 29) = ( 0.2058823 0.0000000 -0.0000000), wk = 0.0017794 k( 30) = ( 0.2132353 0.0000000 0.0000000), wk = 0.0017794 k( 31) = ( 0.2205882 0.0000000 0.0000000), wk = 0.0017794 k( 32) = ( 0.2279412 -0.0000000 0.0000000), wk = 0.0017794 k( 33) = ( 0.2352941 0.0000000 0.0000000), wk = 0.0017794 k( 34) = ( 0.2426471 0.0000000 -0.0000000), wk = 0.0017794 k( 35) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0017794 k( 36) = ( 0.2573529 0.0000000 0.0000000), wk = 0.0017794 k( 37) = ( 0.2647059 0.0000000 0.0000000), wk = 0.0017794 k( 38) = ( 0.2720588 0.0000000 -0.0000000), wk = 0.0017794 k( 39) = ( 0.2794118 0.0000000 -0.0000000), wk = 0.0017794 k( 40) = ( 0.2867647 0.0000000 -0.0000000), wk = 0.0017794 k( 41) = ( 0.2941177 0.0000000 0.0000000), wk = 0.0017794 k( 42) = ( 0.3014706 0.0000000 0.0000000), wk = 0.0017794 k( 43) = ( 0.3088235 0.0000000 -0.0000000), wk = 0.0017794 k( 44) = ( 0.3161765 0.0000000 0.0000000), wk = 0.0017794 k( 45) = ( 0.3235294 0.0000000 0.0000000), wk = 0.0017794 k( 46) = ( 0.3308823 0.0000000 0.0000000), wk = 0.0017794 k( 47) = ( 0.3382353 0.0000000 -0.0000000), wk = 0.0017794 k( 48) = ( 0.3455882 0.0000000 -0.0000000), wk = 0.0017794 k( 49) = ( 0.3529412 0.0000000 0.0000000), wk = 0.0017794 k( 50) = ( 0.3602941 0.0000000 0.0000000), wk = 0.0017794 k( 51) = ( 0.3676471 0.0000000 0.0000000), wk = 0.0017794 k( 52) = ( 0.3750000 0.0000000 0.0000000), wk = 0.0017794 k( 53) = ( 0.3823529 0.0000000 0.0000000), wk = 0.0017794 k( 54) = ( 0.3897059 0.0000000 0.0000000), wk = 0.0017794 k( 55) = ( 0.3970588 0.0000000 0.0000000), wk = 0.0017794 k( 56) = ( 0.4044118 0.0000000 -0.0000000), wk = 0.0017794 k( 57) = ( 0.4117647 0.0000000 0.0000000), wk = 0.0017794 k( 58) = ( 0.4191177 0.0000000 0.0000000), wk = 0.0017794 k( 59) = ( 0.4264706 0.0000000 0.0000000), wk = 0.0017794 k( 60) = ( 0.4338235 0.0000000 0.0000000), wk = 0.0017794 k( 61) = ( 0.4411765 -0.0000000 -0.0000000), wk = 0.0017794 k( 62) = ( 0.4485294 0.0000000 0.0000000), wk = 0.0017794 k( 63) = ( 0.4558823 0.0000000 0.0000000), wk = 0.0017794 k( 64) = ( 0.4632353 0.0000000 0.0000000), wk = 0.0017794 k( 65) = ( 0.4705882 0.0000000 0.0000000), wk = 0.0017794 k( 66) = ( 0.4779412 0.0000000 -0.0000000), wk = 0.0017794 k( 67) = ( 0.4852941 0.0000000 -0.0000000), wk = 0.0017794 k( 68) = ( 0.4926471 0.0000000 0.0000000), wk = 0.0017794 k( 69) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0017794 k( 70) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0017794 k( 71) = ( 0.4957265 0.0085470 0.0000000), wk = 0.0017794 k( 72) = ( 0.4914530 0.0170940 0.0000000), wk = 0.0017794 k( 73) = ( 0.4871795 0.0256410 -0.0000000), wk = 0.0017794 k( 74) = ( 0.4829060 0.0341880 -0.0000000), wk = 0.0017794 k( 75) = ( 0.4786325 0.0427350 0.0000000), wk = 0.0017794 k( 76) = ( 0.4743590 0.0512820 -0.0000000), wk = 0.0017794 k( 77) = ( 0.4700855 0.0598291 -0.0000000), wk = 0.0017794 k( 78) = ( 0.4658120 0.0683761 0.0000000), wk = 0.0017794 k( 79) = ( 0.4615385 0.0769231 0.0000000), wk = 0.0017794 k( 80) = ( 0.4572650 0.0854701 0.0000000), wk = 0.0017794 k( 81) = ( 0.4529915 0.0940171 -0.0000000), wk = 0.0017794 k( 82) = ( 0.4487179 0.1025641 0.0000000), wk = 0.0017794 k( 83) = ( 0.4444444 0.1111111 0.0000000), wk = 0.0017794 k( 84) = ( 0.4401709 0.1196581 0.0000000), wk = 0.0017794 k( 85) = ( 0.4358974 0.1282051 0.0000000), wk = 0.0017794 k( 86) = ( 0.4316239 0.1367521 0.0000000), wk = 0.0017794 k( 87) = ( 0.4273504 0.1452991 -0.0000000), wk = 0.0017794 k( 88) = ( 0.4230769 0.1538461 0.0000000), wk = 0.0017794 k( 89) = ( 0.4188034 0.1623932 -0.0000000), wk = 0.0017794 k( 90) = ( 0.4145299 0.1709402 -0.0000000), wk = 0.0017794 k( 91) = ( 0.4102564 0.1794872 0.0000000), wk = 0.0017794 k( 92) = ( 0.4059829 0.1880342 0.0000000), wk = 0.0017794 k( 93) = ( 0.4017094 0.1965812 0.0000000), wk = 0.0017794 k( 94) = ( 0.3974359 0.2051282 0.0000000), wk = 0.0017794 k( 95) = ( 0.3931624 0.2136752 0.0000000), wk = 0.0017794 k( 96) = ( 0.3888889 0.2222222 0.0000000), wk = 0.0017794 k( 97) = ( 0.3846154 0.2307692 -0.0000000), wk = 0.0017794 k( 98) = ( 0.3803419 0.2393162 0.0000000), wk = 0.0017794 k( 99) = ( 0.3760684 0.2478633 -0.0000000), wk = 0.0017794 k( 100) = ( 0.3717949 0.2564103 -0.0000000), wk = 0.0017794 k( 101) = ( 0.3675214 0.2649573 0.0000000), wk = 0.0017794 k( 102) = ( 0.3632479 0.2735043 0.0000000), wk = 0.0017794 k( 103) = ( 0.3589744 0.2820513 0.0000000), wk = 0.0017794 k( 104) = ( 0.3547009 0.2905983 0.0000000), wk = 0.0017794 k( 105) = ( 0.3504274 0.2991453 0.0000000), wk = 0.0017794 k( 106) = ( 0.3461538 0.3076923 -0.0000000), wk = 0.0017794 k( 107) = ( 0.3418803 0.3162393 -0.0000000), wk = 0.0017794 k( 108) = ( 0.3376068 0.3247863 -0.0000000), wk = 0.0017794 k( 109) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0017794 k( 110) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0017794 k( 111) = ( 0.3290598 0.3290598 -0.0000000), wk = 0.0017794 k( 112) = ( 0.3247863 0.3247863 -0.0000000), wk = 0.0017794 k( 113) = ( 0.3205128 0.3205128 0.0000000), wk = 0.0017794 k( 114) = ( 0.3162393 0.3162393 -0.0000000), wk = 0.0017794 k( 115) = ( 0.3119658 0.3119658 0.0000000), wk = 0.0017794 k( 116) = ( 0.3076923 0.3076923 -0.0000000), wk = 0.0017794 k( 117) = ( 0.3034188 0.3034188 -0.0000000), wk = 0.0017794 k( 118) = ( 0.2991453 0.2991453 0.0000000), wk = 0.0017794 k( 119) = ( 0.2948718 0.2948718 0.0000000), wk = 0.0017794 k( 120) = ( 0.2905983 0.2905983 0.0000000), wk = 0.0017794 k( 121) = ( 0.2863248 0.2863248 0.0000000), wk = 0.0017794 k( 122) = ( 0.2820513 0.2820513 0.0000000), wk = 0.0017794 k( 123) = ( 0.2777778 0.2777778 0.0000000), wk = 0.0017794 k( 124) = ( 0.2735043 0.2735043 0.0000000), wk = 0.0017794 k( 125) = ( 0.2692308 0.2692308 0.0000000), wk = 0.0017794 k( 126) = ( 0.2649573 0.2649573 -0.0000000), wk = 0.0017794 k( 127) = ( 0.2606838 0.2606838 -0.0000000), wk = 0.0017794 k( 128) = ( 0.2564103 0.2564103 0.0000000), wk = 0.0017794 k( 129) = ( 0.2521368 0.2521368 0.0000000), wk = 0.0017794 k( 130) = ( 0.2478633 0.2478633 0.0000000), wk = 0.0017794 k( 131) = ( 0.2435897 0.2435897 -0.0000000), wk = 0.0017794 k( 132) = ( 0.2393162 0.2393162 0.0000000), wk = 0.0017794 k( 133) = ( 0.2350427 0.2350427 0.0000000), wk = 0.0017794 k( 134) = ( 0.2307692 0.2307692 0.0000000), wk = 0.0017794 k( 135) = ( 0.2264957 0.2264957 -0.0000000), wk = 0.0017794 k( 136) = ( 0.2222222 0.2222222 0.0000000), wk = 0.0017794 k( 137) = ( 0.2179487 0.2179487 0.0000000), wk = 0.0017794 k( 138) = ( 0.2136752 0.2136752 0.0000000), wk = 0.0017794 k( 139) = ( 0.2094017 0.2094017 0.0000000), wk = 0.0017794 k( 140) = ( 0.2051282 0.2051282 -0.0000000), wk = 0.0017794 k( 141) = ( 0.2008547 0.2008547 0.0000000), wk = 0.0017794 k( 142) = ( 0.1965812 0.1965812 0.0000000), wk = 0.0017794 k( 143) = ( 0.1923077 0.1923077 0.0000000), wk = 0.0017794 k( 144) = ( 0.1880342 0.1880342 0.0000000), wk = 0.0017794 k( 145) = ( 0.1837607 0.1837607 -0.0000000), wk = 0.0017794 k( 146) = ( 0.1794872 0.1794872 -0.0000000), wk = 0.0017794 k( 147) = ( 0.1752137 0.1752137 -0.0000000), wk = 0.0017794 k( 148) = ( 0.1709402 0.1709402 0.0000000), wk = 0.0017794 k( 149) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0017794 k( 150) = ( 0.1623932 0.1623932 -0.0000000), wk = 0.0017794 k( 151) = ( 0.1581197 0.1581197 -0.0000000), wk = 0.0017794 k( 152) = ( 0.1538461 0.1538461 0.0000000), wk = 0.0017794 k( 153) = ( 0.1495727 0.1495726 0.0000000), wk = 0.0017794 k( 154) = ( 0.1452991 0.1452991 -0.0000000), wk = 0.0017794 k( 155) = ( 0.1410256 0.1410256 0.0000000), wk = 0.0017794 k( 156) = ( 0.1367521 0.1367521 -0.0000000), wk = 0.0017794 k( 157) = ( 0.1324786 0.1324786 -0.0000000), wk = 0.0017794 k( 158) = ( 0.1282051 0.1282051 0.0000000), wk = 0.0017794 k( 159) = ( 0.1239316 0.1239316 0.0000000), wk = 0.0017794 k( 160) = ( 0.1196581 0.1196581 0.0000000), wk = 0.0017794 k( 161) = ( 0.1153846 0.1153846 -0.0000000), wk = 0.0017794 k( 162) = ( 0.1111111 0.1111111 0.0000000), wk = 0.0017794 k( 163) = ( 0.1068376 0.1068376 0.0000000), wk = 0.0017794 k( 164) = ( 0.1025641 0.1025641 0.0000000), wk = 0.0017794 k( 165) = ( 0.0982906 0.0982906 0.0000000), wk = 0.0017794 k( 166) = ( 0.0940171 0.0940171 0.0000000), wk = 0.0017794 k( 167) = ( 0.0897436 0.0897436 -0.0000000), wk = 0.0017794 k( 168) = ( 0.0854701 0.0854701 -0.0000000), wk = 0.0017794 k( 169) = ( 0.0811966 0.0811966 -0.0000000), wk = 0.0017794 k( 170) = ( 0.0769231 0.0769231 0.0000000), wk = 0.0017794 k( 171) = ( 0.0726496 0.0726496 0.0000000), wk = 0.0017794 k( 172) = ( 0.0683761 0.0683761 -0.0000000), wk = 0.0017794 k( 173) = ( 0.0641026 0.0641026 0.0000000), wk = 0.0017794 k( 174) = ( 0.0598291 0.0598291 0.0000000), wk = 0.0017794 k( 175) = ( 0.0555556 0.0555556 0.0000000), wk = 0.0017794 k( 176) = ( 0.0512821 0.0512821 0.0000000), wk = 0.0017794 k( 177) = ( 0.0470086 0.0470086 -0.0000000), wk = 0.0017794 k( 178) = ( 0.0427350 0.0427350 -0.0000000), wk = 0.0017794 k( 179) = ( 0.0384615 0.0384615 0.0000000), wk = 0.0017794 k( 180) = ( 0.0341880 0.0341880 0.0000000), wk = 0.0017794 k( 181) = ( 0.0299145 0.0299145 0.0000000), wk = 0.0017794 k( 182) = ( 0.0256410 0.0256410 -0.0000000), wk = 0.0017794 k( 183) = ( 0.0213675 0.0213675 -0.0000000), wk = 0.0017794 k( 184) = ( 0.0170940 0.0170940 -0.0000000), wk = 0.0017794 k( 185) = ( 0.0128205 0.0128205 0.0000000), wk = 0.0017794 k( 186) = ( 0.0085470 0.0085470 -0.0000000), wk = 0.0017794 k( 187) = ( 0.0042735 0.0042735 0.0000000), wk = 0.0017794 k( 188) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0017794 k( 189) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0017794 k( 190) = ( 0.0000000 0.0000000 0.0081967), wk = 0.0017794 k( 191) = ( 0.0000000 0.0000000 0.0163934), wk = 0.0017794 k( 192) = ( 0.0000000 0.0000000 0.0245902), wk = 0.0017794 k( 193) = ( 0.0000000 0.0000000 0.0327869), wk = 0.0017794 k( 194) = ( 0.0000000 0.0000000 0.0409836), wk = 0.0017794 k( 195) = ( 0.0000000 0.0000000 0.0491803), wk = 0.0017794 k( 196) = ( 0.0000000 0.0000000 0.0573770), wk = 0.0017794 k( 197) = ( 0.0000000 0.0000000 0.0655738), wk = 0.0017794 k( 198) = ( 0.0000000 0.0000000 0.0737705), wk = 0.0017794 k( 199) = ( 0.0000000 0.0000000 0.0819672), wk = 0.0017794 k( 200) = ( 0.0000000 0.0000000 0.0901639), wk = 0.0017794 k( 201) = ( 0.0000000 0.0000000 0.0983607), wk = 0.0017794 k( 202) = ( 0.0000000 0.0000000 0.1065574), wk = 0.0017794 k( 203) = ( 0.0000000 0.0000000 0.1147541), wk = 0.0017794 k( 204) = ( 0.0000000 0.0000000 0.1229508), wk = 0.0017794 k( 205) = ( 0.0000000 0.0000000 0.1311475), wk = 0.0017794 k( 206) = ( 0.0000000 0.0000000 0.1393443), wk = 0.0017794 k( 207) = ( 0.0000000 0.0000000 0.1475410), wk = 0.0017794 k( 208) = ( 0.0000000 0.0000000 0.1557377), wk = 0.0017794 k( 209) = ( 0.0000000 0.0000000 0.1639344), wk = 0.0017794 k( 210) = ( 0.0000000 0.0000000 0.1721311), wk = 0.0017794 k( 211) = ( 0.0000000 0.0000000 0.1803279), wk = 0.0017794 k( 212) = ( 0.0000000 0.0000000 0.1885246), wk = 0.0017794 k( 213) = ( 0.0000000 0.0000000 0.1967213), wk = 0.0017794 k( 214) = ( 0.0000000 0.0000000 0.2049180), wk = 0.0017794 k( 215) = ( 0.0000000 0.0000000 0.2131147), wk = 0.0017794 k( 216) = ( 0.0000000 0.0000000 0.2213115), wk = 0.0017794 k( 217) = ( 0.0000000 0.0000000 0.2295082), wk = 0.0017794 k( 218) = ( 0.0000000 0.0000000 0.2377049), wk = 0.0017794 k( 219) = ( 0.0000000 0.0000000 0.2459016), wk = 0.0017794 k( 220) = ( 0.0000000 0.0000000 0.2540984), wk = 0.0017794 k( 221) = ( 0.0000000 0.0000000 0.2622951), wk = 0.0017794 k( 222) = ( 0.0000000 0.0000000 0.2704918), wk = 0.0017794 k( 223) = ( 0.0000000 0.0000000 0.2786885), wk = 0.0017794 k( 224) = ( 0.0000000 0.0000000 0.2868852), wk = 0.0017794 k( 225) = ( 0.0000000 0.0000000 0.2950820), wk = 0.0017794 k( 226) = ( 0.0000000 0.0000000 0.3032787), wk = 0.0017794 k( 227) = ( 0.0000000 0.0000000 0.3114754), wk = 0.0017794 k( 228) = ( 0.0000000 0.0000000 0.3196721), wk = 0.0017794 k( 229) = ( 0.0000000 0.0000000 0.3278688), wk = 0.0017794 k( 230) = ( 0.0000000 0.0000000 0.3360656), wk = 0.0017794 k( 231) = ( 0.0000000 0.0000000 0.3442623), wk = 0.0017794 k( 232) = ( 0.0000000 0.0000000 0.3524590), wk = 0.0017794 k( 233) = ( 0.0000000 0.0000000 0.3606557), wk = 0.0017794 k( 234) = ( 0.0000000 0.0000000 0.3688525), wk = 0.0017794 k( 235) = ( 0.0000000 0.0000000 0.3770492), wk = 0.0017794 k( 236) = ( 0.0000000 0.0000000 0.3852459), wk = 0.0017794 k( 237) = ( 0.0000000 0.0000000 0.3934426), wk = 0.0017794 k( 238) = ( 0.0000000 0.0000000 0.4016393), wk = 0.0017794 k( 239) = ( 0.0000000 0.0000000 0.4098361), wk = 0.0017794 k( 240) = ( 0.0000000 0.0000000 0.4180328), wk = 0.0017794 k( 241) = ( 0.0000000 0.0000000 0.4262295), wk = 0.0017794 k( 242) = ( 0.0000000 0.0000000 0.4344262), wk = 0.0017794 k( 243) = ( 0.0000000 0.0000000 0.4426229), wk = 0.0017794 k( 244) = ( 0.0000000 0.0000000 0.4508197), wk = 0.0017794 k( 245) = ( 0.0000000 0.0000000 0.4590164), wk = 0.0017794 k( 246) = ( 0.0000000 0.0000000 0.4672131), wk = 0.0017794 k( 247) = ( 0.0000000 0.0000000 0.4754098), wk = 0.0017794 k( 248) = ( 0.0000000 0.0000000 0.4836066), wk = 0.0017794 k( 249) = ( 0.0000000 0.0000000 0.4918033), wk = 0.0017794 k( 250) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0017794 k( 251) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0017794 k( 252) = ( 0.0073529 0.0000000 0.5000000), wk = 0.0017794 k( 253) = ( 0.0147059 0.0000000 0.5000000), wk = 0.0017794 k( 254) = ( 0.0220588 0.0000000 0.5000000), wk = 0.0017794 k( 255) = ( 0.0294118 0.0000000 0.5000000), wk = 0.0017794 k( 256) = ( 0.0367647 0.0000000 0.5000000), wk = 0.0017794 k( 257) = ( 0.0441177 0.0000000 0.5000000), wk = 0.0017794 k( 258) = ( 0.0514706 0.0000000 0.5000000), wk = 0.0017794 k( 259) = ( 0.0588235 0.0000000 0.5000000), wk = 0.0017794 k( 260) = ( 0.0661765 0.0000000 0.5000000), wk = 0.0017794 k( 261) = ( 0.0735294 0.0000000 0.5000000), wk = 0.0017794 k( 262) = ( 0.0808824 0.0000000 0.5000000), wk = 0.0017794 k( 263) = ( 0.0882353 0.0000000 0.5000000), wk = 0.0017794 k( 264) = ( 0.0955882 0.0000000 0.5000000), wk = 0.0017794 k( 265) = ( 0.1029412 0.0000000 0.5000000), wk = 0.0017794 k( 266) = ( 0.1102941 0.0000000 0.5000000), wk = 0.0017794 k( 267) = ( 0.1176471 0.0000000 0.5000000), wk = 0.0017794 k( 268) = ( 0.1250000 0.0000000 0.5000000), wk = 0.0017794 k( 269) = ( 0.1323529 0.0000000 0.5000000), wk = 0.0017794 k( 270) = ( 0.1397059 0.0000000 0.5000000), wk = 0.0017794 k( 271) = ( 0.1470588 0.0000000 0.5000000), wk = 0.0017794 k( 272) = ( 0.1544118 0.0000000 0.5000000), wk = 0.0017794 k( 273) = ( 0.1617647 0.0000000 0.5000000), wk = 0.0017794 k( 274) = ( 0.1691177 0.0000000 0.5000000), wk = 0.0017794 k( 275) = ( 0.1764706 0.0000000 0.5000000), wk = 0.0017794 k( 276) = ( 0.1838235 0.0000000 0.5000000), wk = 0.0017794 k( 277) = ( 0.1911765 0.0000000 0.5000000), wk = 0.0017794 k( 278) = ( 0.1985294 0.0000000 0.5000000), wk = 0.0017794 k( 279) = ( 0.2058823 0.0000000 0.5000000), wk = 0.0017794 k( 280) = ( 0.2132353 0.0000000 0.5000000), wk = 0.0017794 k( 281) = ( 0.2205882 0.0000000 0.5000000), wk = 0.0017794 k( 282) = ( 0.2279412 -0.0000000 0.5000000), wk = 0.0017794 k( 283) = ( 0.2352941 0.0000000 0.5000000), wk = 0.0017794 k( 284) = ( 0.2426471 0.0000000 0.5000000), wk = 0.0017794 k( 285) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0017794 k( 286) = ( 0.2573529 0.0000000 0.5000000), wk = 0.0017794 k( 287) = ( 0.2647059 0.0000000 0.5000000), wk = 0.0017794 k( 288) = ( 0.2720588 0.0000000 0.5000000), wk = 0.0017794 k( 289) = ( 0.2794118 0.0000000 0.5000000), wk = 0.0017794 k( 290) = ( 0.2867647 0.0000000 0.5000000), wk = 0.0017794 k( 291) = ( 0.2941177 0.0000000 0.5000000), wk = 0.0017794 k( 292) = ( 0.3014706 0.0000000 0.5000000), wk = 0.0017794 k( 293) = ( 0.3088235 0.0000000 0.5000000), wk = 0.0017794 k( 294) = ( 0.3161765 0.0000000 0.5000000), wk = 0.0017794 k( 295) = ( 0.3235294 0.0000000 0.5000000), wk = 0.0017794 k( 296) = ( 0.3308823 0.0000000 0.5000000), wk = 0.0017794 k( 297) = ( 0.3382353 0.0000000 0.5000000), wk = 0.0017794 k( 298) = ( 0.3455882 0.0000000 0.5000000), wk = 0.0017794 k( 299) = ( 0.3529412 0.0000000 0.5000000), wk = 0.0017794 k( 300) = ( 0.3602941 0.0000000 0.5000000), wk = 0.0017794 k( 301) = ( 0.3676471 0.0000000 0.5000000), wk = 0.0017794 k( 302) = ( 0.3750000 0.0000000 0.5000000), wk = 0.0017794 k( 303) = ( 0.3823529 0.0000000 0.5000000), wk = 0.0017794 k( 304) = ( 0.3897059 0.0000000 0.5000000), wk = 0.0017794 k( 305) = ( 0.3970588 0.0000000 0.5000000), wk = 0.0017794 k( 306) = ( 0.4044118 0.0000000 0.5000000), wk = 0.0017794 k( 307) = ( 0.4117647 0.0000000 0.5000000), wk = 0.0017794 k( 308) = ( 0.4191177 0.0000000 0.5000000), wk = 0.0017794 k( 309) = ( 0.4264706 0.0000000 0.5000000), wk = 0.0017794 k( 310) = ( 0.4338235 0.0000000 0.5000000), wk = 0.0017794 k( 311) = ( 0.4411765 -0.0000000 0.5000000), wk = 0.0017794 k( 312) = ( 0.4485294 0.0000000 0.5000000), wk = 0.0017794 k( 313) = ( 0.4558823 0.0000000 0.5000000), wk = 0.0017794 k( 314) = ( 0.4632353 0.0000000 0.5000000), wk = 0.0017794 k( 315) = ( 0.4705882 0.0000000 0.5000000), wk = 0.0017794 k( 316) = ( 0.4779412 0.0000000 0.5000000), wk = 0.0017794 k( 317) = ( 0.4852941 0.0000000 0.5000000), wk = 0.0017794 k( 318) = ( 0.4926471 0.0000000 0.5000000), wk = 0.0017794 k( 319) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0017794 k( 320) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0017794 k( 321) = ( 0.4957265 0.0085470 0.5000000), wk = 0.0017794 k( 322) = ( 0.4914530 0.0170940 0.5000000), wk = 0.0017794 k( 323) = ( 0.4871795 0.0256410 0.5000000), wk = 0.0017794 k( 324) = ( 0.4829060 0.0341880 0.5000000), wk = 0.0017794 k( 325) = ( 0.4786325 0.0427350 0.5000000), wk = 0.0017794 k( 326) = ( 0.4743590 0.0512820 0.5000000), wk = 0.0017794 k( 327) = ( 0.4700855 0.0598291 0.5000000), wk = 0.0017794 k( 328) = ( 0.4658120 0.0683761 0.5000000), wk = 0.0017794 k( 329) = ( 0.4615385 0.0769231 0.5000000), wk = 0.0017794 k( 330) = ( 0.4572650 0.0854701 0.5000000), wk = 0.0017794 k( 331) = ( 0.4529915 0.0940171 0.5000000), wk = 0.0017794 k( 332) = ( 0.4487179 0.1025641 0.5000000), wk = 0.0017794 k( 333) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0017794 k( 334) = ( 0.4401709 0.1196581 0.5000000), wk = 0.0017794 k( 335) = ( 0.4358974 0.1282051 0.5000000), wk = 0.0017794 k( 336) = ( 0.4316239 0.1367521 0.5000000), wk = 0.0017794 k( 337) = ( 0.4273504 0.1452991 0.5000000), wk = 0.0017794 k( 338) = ( 0.4230769 0.1538461 0.5000000), wk = 0.0017794 k( 339) = ( 0.4188034 0.1623932 0.5000000), wk = 0.0017794 k( 340) = ( 0.4145299 0.1709402 0.5000000), wk = 0.0017794 k( 341) = ( 0.4102564 0.1794872 0.5000000), wk = 0.0017794 k( 342) = ( 0.4059829 0.1880342 0.5000000), wk = 0.0017794 k( 343) = ( 0.4017094 0.1965812 0.5000000), wk = 0.0017794 k( 344) = ( 0.3974359 0.2051282 0.5000000), wk = 0.0017794 k( 345) = ( 0.3931624 0.2136752 0.5000000), wk = 0.0017794 k( 346) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0017794 k( 347) = ( 0.3846154 0.2307692 0.5000000), wk = 0.0017794 k( 348) = ( 0.3803419 0.2393162 0.5000000), wk = 0.0017794 k( 349) = ( 0.3760684 0.2478633 0.5000000), wk = 0.0017794 k( 350) = ( 0.3717949 0.2564103 0.5000000), wk = 0.0017794 k( 351) = ( 0.3675214 0.2649573 0.5000000), wk = 0.0017794 k( 352) = ( 0.3632479 0.2735043 0.5000000), wk = 0.0017794 k( 353) = ( 0.3589744 0.2820513 0.5000000), wk = 0.0017794 k( 354) = ( 0.3547009 0.2905983 0.5000000), wk = 0.0017794 k( 355) = ( 0.3504274 0.2991453 0.5000000), wk = 0.0017794 k( 356) = ( 0.3461538 0.3076923 0.5000000), wk = 0.0017794 k( 357) = ( 0.3418803 0.3162393 0.5000000), wk = 0.0017794 k( 358) = ( 0.3376068 0.3247863 0.5000000), wk = 0.0017794 k( 359) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0017794 k( 360) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0017794 k( 361) = ( 0.3290598 0.3290598 0.5000000), wk = 0.0017794 k( 362) = ( 0.3247863 0.3247863 0.5000000), wk = 0.0017794 k( 363) = ( 0.3205128 0.3205128 0.5000000), wk = 0.0017794 k( 364) = ( 0.3162393 0.3162393 0.5000000), wk = 0.0017794 k( 365) = ( 0.3119658 0.3119658 0.5000000), wk = 0.0017794 k( 366) = ( 0.3076923 0.3076923 0.5000000), wk = 0.0017794 k( 367) = ( 0.3034188 0.3034188 0.5000000), wk = 0.0017794 k( 368) = ( 0.2991453 0.2991453 0.5000000), wk = 0.0017794 k( 369) = ( 0.2948718 0.2948718 0.5000000), wk = 0.0017794 k( 370) = ( 0.2905983 0.2905983 0.5000000), wk = 0.0017794 k( 371) = ( 0.2863248 0.2863248 0.5000000), wk = 0.0017794 k( 372) = ( 0.2820513 0.2820513 0.5000000), wk = 0.0017794 k( 373) = ( 0.2777778 0.2777778 0.5000000), wk = 0.0017794 k( 374) = ( 0.2735043 0.2735043 0.5000000), wk = 0.0017794 k( 375) = ( 0.2692308 0.2692308 0.5000000), wk = 0.0017794 k( 376) = ( 0.2649573 0.2649573 0.5000000), wk = 0.0017794 k( 377) = ( 0.2606838 0.2606838 0.5000000), wk = 0.0017794 k( 378) = ( 0.2564103 0.2564103 0.5000000), wk = 0.0017794 k( 379) = ( 0.2521368 0.2521368 0.5000000), wk = 0.0017794 k( 380) = ( 0.2478633 0.2478633 0.5000000), wk = 0.0017794 k( 381) = ( 0.2435897 0.2435897 0.5000000), wk = 0.0017794 k( 382) = ( 0.2393162 0.2393162 0.5000000), wk = 0.0017794 k( 383) = ( 0.2350427 0.2350427 0.5000000), wk = 0.0017794 k( 384) = ( 0.2307692 0.2307692 0.5000000), wk = 0.0017794 k( 385) = ( 0.2264957 0.2264957 0.5000000), wk = 0.0017794 k( 386) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0017794 k( 387) = ( 0.2179487 0.2179487 0.5000000), wk = 0.0017794 k( 388) = ( 0.2136752 0.2136752 0.5000000), wk = 0.0017794 k( 389) = ( 0.2094017 0.2094017 0.5000000), wk = 0.0017794 k( 390) = ( 0.2051282 0.2051282 0.5000000), wk = 0.0017794 k( 391) = ( 0.2008547 0.2008547 0.5000000), wk = 0.0017794 k( 392) = ( 0.1965812 0.1965812 0.5000000), wk = 0.0017794 k( 393) = ( 0.1923077 0.1923077 0.5000000), wk = 0.0017794 k( 394) = ( 0.1880342 0.1880342 0.5000000), wk = 0.0017794 k( 395) = ( 0.1837607 0.1837607 0.5000000), wk = 0.0017794 k( 396) = ( 0.1794872 0.1794872 0.5000000), wk = 0.0017794 k( 397) = ( 0.1752137 0.1752137 0.5000000), wk = 0.0017794 k( 398) = ( 0.1709402 0.1709402 0.5000000), wk = 0.0017794 k( 399) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0017794 k( 400) = ( 0.1623932 0.1623932 0.5000000), wk = 0.0017794 k( 401) = ( 0.1581197 0.1581197 0.5000000), wk = 0.0017794 k( 402) = ( 0.1538461 0.1538461 0.5000000), wk = 0.0017794 k( 403) = ( 0.1495727 0.1495726 0.5000000), wk = 0.0017794 k( 404) = ( 0.1452991 0.1452991 0.5000000), wk = 0.0017794 k( 405) = ( 0.1410256 0.1410256 0.5000000), wk = 0.0017794 k( 406) = ( 0.1367521 0.1367521 0.5000000), wk = 0.0017794 k( 407) = ( 0.1324786 0.1324786 0.5000000), wk = 0.0017794 k( 408) = ( 0.1282051 0.1282051 0.5000000), wk = 0.0017794 k( 409) = ( 0.1239316 0.1239316 0.5000000), wk = 0.0017794 k( 410) = ( 0.1196581 0.1196581 0.5000000), wk = 0.0017794 k( 411) = ( 0.1153846 0.1153846 0.5000000), wk = 0.0017794 k( 412) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0017794 k( 413) = ( 0.1068376 0.1068376 0.5000000), wk = 0.0017794 k( 414) = ( 0.1025641 0.1025641 0.5000000), wk = 0.0017794 k( 415) = ( 0.0982906 0.0982906 0.5000000), wk = 0.0017794 k( 416) = ( 0.0940171 0.0940171 0.5000000), wk = 0.0017794 k( 417) = ( 0.0897436 0.0897436 0.5000000), wk = 0.0017794 k( 418) = ( 0.0854701 0.0854701 0.5000000), wk = 0.0017794 k( 419) = ( 0.0811966 0.0811966 0.5000000), wk = 0.0017794 k( 420) = ( 0.0769231 0.0769231 0.5000000), wk = 0.0017794 k( 421) = ( 0.0726496 0.0726496 0.5000000), wk = 0.0017794 k( 422) = ( 0.0683761 0.0683761 0.5000000), wk = 0.0017794 k( 423) = ( 0.0641026 0.0641026 0.5000000), wk = 0.0017794 k( 424) = ( 0.0598291 0.0598291 0.5000000), wk = 0.0017794 k( 425) = ( 0.0555556 0.0555556 0.5000000), wk = 0.0017794 k( 426) = ( 0.0512821 0.0512821 0.5000000), wk = 0.0017794 k( 427) = ( 0.0470086 0.0470086 0.5000000), wk = 0.0017794 k( 428) = ( 0.0427350 0.0427350 0.5000000), wk = 0.0017794 k( 429) = ( 0.0384615 0.0384615 0.5000000), wk = 0.0017794 k( 430) = ( 0.0341880 0.0341880 0.5000000), wk = 0.0017794 k( 431) = ( 0.0299145 0.0299145 0.5000000), wk = 0.0017794 k( 432) = ( 0.0256410 0.0256410 0.5000000), wk = 0.0017794 k( 433) = ( 0.0213675 0.0213675 0.5000000), wk = 0.0017794 k( 434) = ( 0.0170940 0.0170940 0.5000000), wk = 0.0017794 k( 435) = ( 0.0128205 0.0128205 0.5000000), wk = 0.0017794 k( 436) = ( 0.0085470 0.0085470 0.5000000), wk = 0.0017794 k( 437) = ( 0.0042735 0.0042735 0.5000000), wk = 0.0017794 k( 438) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0017794 k( 439) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0017794 k( 440) = ( 0.5000000 0.0000000 0.4918033), wk = 0.0017794 k( 441) = ( 0.5000000 0.0000000 0.4836066), wk = 0.0017794 k( 442) = ( 0.5000000 0.0000000 0.4754098), wk = 0.0017794 k( 443) = ( 0.5000000 0.0000000 0.4672131), wk = 0.0017794 k( 444) = ( 0.5000000 0.0000000 0.4590164), wk = 0.0017794 k( 445) = ( 0.5000000 0.0000000 0.4508197), wk = 0.0017794 k( 446) = ( 0.5000000 0.0000000 0.4426229), wk = 0.0017794 k( 447) = ( 0.5000000 0.0000000 0.4344262), wk = 0.0017794 k( 448) = ( 0.5000000 0.0000000 0.4262295), wk = 0.0017794 k( 449) = ( 0.5000000 0.0000000 0.4180328), wk = 0.0017794 k( 450) = ( 0.5000000 0.0000000 0.4098361), wk = 0.0017794 k( 451) = ( 0.5000000 0.0000000 0.4016393), wk = 0.0017794 k( 452) = ( 0.5000000 0.0000000 0.3934426), wk = 0.0017794 k( 453) = ( 0.5000000 0.0000000 0.3852459), wk = 0.0017794 k( 454) = ( 0.5000000 0.0000000 0.3770492), wk = 0.0017794 k( 455) = ( 0.5000000 0.0000000 0.3688525), wk = 0.0017794 k( 456) = ( 0.5000000 0.0000000 0.3606557), wk = 0.0017794 k( 457) = ( 0.5000000 0.0000000 0.3524590), wk = 0.0017794 k( 458) = ( 0.5000000 0.0000000 0.3442623), wk = 0.0017794 k( 459) = ( 0.5000000 0.0000000 0.3360656), wk = 0.0017794 k( 460) = ( 0.5000000 0.0000000 0.3278688), wk = 0.0017794 k( 461) = ( 0.5000000 0.0000000 0.3196721), wk = 0.0017794 k( 462) = ( 0.5000000 0.0000000 0.3114754), wk = 0.0017794 k( 463) = ( 0.5000000 0.0000000 0.3032787), wk = 0.0017794 k( 464) = ( 0.5000000 0.0000000 0.2950820), wk = 0.0017794 k( 465) = ( 0.5000000 0.0000000 0.2868852), wk = 0.0017794 k( 466) = ( 0.5000000 0.0000000 0.2786885), wk = 0.0017794 k( 467) = ( 0.5000000 0.0000000 0.2704918), wk = 0.0017794 k( 468) = ( 0.5000000 0.0000000 0.2622951), wk = 0.0017794 k( 469) = ( 0.5000000 0.0000000 0.2540984), wk = 0.0017794 k( 470) = ( 0.5000000 0.0000000 0.2459016), wk = 0.0017794 k( 471) = ( 0.5000000 0.0000000 0.2377049), wk = 0.0017794 k( 472) = ( 0.5000000 0.0000000 0.2295082), wk = 0.0017794 k( 473) = ( 0.5000000 0.0000000 0.2213115), wk = 0.0017794 k( 474) = ( 0.5000000 0.0000000 0.2131147), wk = 0.0017794 k( 475) = ( 0.5000000 0.0000000 0.2049180), wk = 0.0017794 k( 476) = ( 0.5000000 0.0000000 0.1967213), wk = 0.0017794 k( 477) = ( 0.5000000 0.0000000 0.1885246), wk = 0.0017794 k( 478) = ( 0.5000000 0.0000000 0.1803279), wk = 0.0017794 k( 479) = ( 0.5000000 0.0000000 0.1721311), wk = 0.0017794 k( 480) = ( 0.5000000 0.0000000 0.1639344), wk = 0.0017794 k( 481) = ( 0.5000000 0.0000000 0.1557377), wk = 0.0017794 k( 482) = ( 0.5000000 0.0000000 0.1475410), wk = 0.0017794 k( 483) = ( 0.5000000 0.0000000 0.1393443), wk = 0.0017794 k( 484) = ( 0.5000000 0.0000000 0.1311475), wk = 0.0017794 k( 485) = ( 0.5000000 0.0000000 0.1229508), wk = 0.0017794 k( 486) = ( 0.5000000 0.0000000 0.1147541), wk = 0.0017794 k( 487) = ( 0.5000000 0.0000000 0.1065574), wk = 0.0017794 k( 488) = ( 0.5000000 0.0000000 0.0983607), wk = 0.0017794 k( 489) = ( 0.5000000 0.0000000 0.0901639), wk = 0.0017794 k( 490) = ( 0.5000000 0.0000000 0.0819672), wk = 0.0017794 k( 491) = ( 0.5000000 0.0000000 0.0737705), wk = 0.0017794 k( 492) = ( 0.5000000 0.0000000 0.0655738), wk = 0.0017794 k( 493) = ( 0.5000000 0.0000000 0.0573770), wk = 0.0017794 k( 494) = ( 0.5000000 0.0000000 0.0491803), wk = 0.0017794 k( 495) = ( 0.5000000 0.0000000 0.0409836), wk = 0.0017794 k( 496) = ( 0.5000000 0.0000000 0.0327869), wk = 0.0017794 k( 497) = ( 0.5000000 0.0000000 0.0245902), wk = 0.0017794 k( 498) = ( 0.5000000 0.0000000 0.0163934), wk = 0.0017794 k( 499) = ( 0.5000000 0.0000000 0.0081967), wk = 0.0017794 k( 500) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0017794 k( 501) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0017794 k( 502) = ( 0.3333333 0.3333333 0.0081967), wk = 0.0017794 k( 503) = ( 0.3333333 0.3333333 0.0163934), wk = 0.0017794 k( 504) = ( 0.3333333 0.3333333 0.0245902), wk = 0.0017794 k( 505) = ( 0.3333333 0.3333333 0.0327869), wk = 0.0017794 k( 506) = ( 0.3333333 0.3333333 0.0409836), wk = 0.0017794 k( 507) = ( 0.3333333 0.3333333 0.0491803), wk = 0.0017794 k( 508) = ( 0.3333333 0.3333333 0.0573770), wk = 0.0017794 k( 509) = ( 0.3333333 0.3333333 0.0655738), wk = 0.0017794 k( 510) = ( 0.3333333 0.3333333 0.0737705), wk = 0.0017794 k( 511) = ( 0.3333333 0.3333333 0.0819672), wk = 0.0017794 k( 512) = ( 0.3333333 0.3333333 0.0901639), wk = 0.0017794 k( 513) = ( 0.3333333 0.3333333 0.0983607), wk = 0.0017794 k( 514) = ( 0.3333333 0.3333333 0.1065574), wk = 0.0017794 k( 515) = ( 0.3333333 0.3333333 0.1147541), wk = 0.0017794 k( 516) = ( 0.3333333 0.3333333 0.1229508), wk = 0.0017794 k( 517) = ( 0.3333333 0.3333333 0.1311475), wk = 0.0017794 k( 518) = ( 0.3333333 0.3333333 0.1393443), wk = 0.0017794 k( 519) = ( 0.3333333 0.3333333 0.1475410), wk = 0.0017794 k( 520) = ( 0.3333333 0.3333333 0.1557377), wk = 0.0017794 k( 521) = ( 0.3333333 0.3333333 0.1639344), wk = 0.0017794 k( 522) = ( 0.3333333 0.3333333 0.1721312), wk = 0.0017794 k( 523) = ( 0.3333333 0.3333333 0.1803279), wk = 0.0017794 k( 524) = ( 0.3333333 0.3333333 0.1885246), wk = 0.0017794 k( 525) = ( 0.3333333 0.3333333 0.1967213), wk = 0.0017794 k( 526) = ( 0.3333333 0.3333333 0.2049180), wk = 0.0017794 k( 527) = ( 0.3333333 0.3333333 0.2131147), wk = 0.0017794 k( 528) = ( 0.3333333 0.3333333 0.2213115), wk = 0.0017794 k( 529) = ( 0.3333333 0.3333333 0.2295082), wk = 0.0017794 k( 530) = ( 0.3333333 0.3333333 0.2377049), wk = 0.0017794 k( 531) = ( 0.3333333 0.3333333 0.2459016), wk = 0.0017794 k( 532) = ( 0.3333333 0.3333333 0.2540984), wk = 0.0017794 k( 533) = ( 0.3333333 0.3333333 0.2622951), wk = 0.0017794 k( 534) = ( 0.3333333 0.3333333 0.2704918), wk = 0.0017794 k( 535) = ( 0.3333333 0.3333333 0.2786885), wk = 0.0017794 k( 536) = ( 0.3333333 0.3333333 0.2868852), wk = 0.0017794 k( 537) = ( 0.3333333 0.3333333 0.2950820), wk = 0.0017794 k( 538) = ( 0.3333333 0.3333333 0.3032787), wk = 0.0017794 k( 539) = ( 0.3333333 0.3333333 0.3114754), wk = 0.0017794 k( 540) = ( 0.3333333 0.3333333 0.3196721), wk = 0.0017794 k( 541) = ( 0.3333333 0.3333333 0.3278688), wk = 0.0017794 k( 542) = ( 0.3333333 0.3333333 0.3360656), wk = 0.0017794 k( 543) = ( 0.3333333 0.3333333 0.3442623), wk = 0.0017794 k( 544) = ( 0.3333333 0.3333333 0.3524590), wk = 0.0017794 k( 545) = ( 0.3333333 0.3333333 0.3606557), wk = 0.0017794 k( 546) = ( 0.3333333 0.3333333 0.3688525), wk = 0.0017794 k( 547) = ( 0.3333333 0.3333333 0.3770492), wk = 0.0017794 k( 548) = ( 0.3333333 0.3333333 0.3852459), wk = 0.0017794 k( 549) = ( 0.3333333 0.3333333 0.3934426), wk = 0.0017794 k( 550) = ( 0.3333333 0.3333333 0.4016393), wk = 0.0017794 k( 551) = ( 0.3333333 0.3333333 0.4098361), wk = 0.0017794 k( 552) = ( 0.3333333 0.3333333 0.4180328), wk = 0.0017794 k( 553) = ( 0.3333333 0.3333333 0.4262295), wk = 0.0017794 k( 554) = ( 0.3333333 0.3333333 0.4344262), wk = 0.0017794 k( 555) = ( 0.3333333 0.3333333 0.4426229), wk = 0.0017794 k( 556) = ( 0.3333333 0.3333333 0.4508197), wk = 0.0017794 k( 557) = ( 0.3333333 0.3333333 0.4590164), wk = 0.0017794 k( 558) = ( 0.3333333 0.3333333 0.4672131), wk = 0.0017794 k( 559) = ( 0.3333333 0.3333333 0.4754098), wk = 0.0017794 k( 560) = ( 0.3333333 0.3333333 0.4836066), wk = 0.0017794 k( 561) = ( 0.3333333 0.3333333 0.4918033), wk = 0.0017794 k( 562) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0017794 Dense grid: 18471 G-vectors FFT dimensions: ( 36, 36, 36) Smooth grid: 5195 G-vectors FFT dimensions: ( 24, 24, 24) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.01 Mb ( 32, 26) NL pseudopotentials 0.01 Mb ( 16, 48) Each V/rho on FFT grid 0.02 Mb ( 1296) Each G-vector array 0.00 Mb ( 385) G-vector shells 0.00 Mb ( 201) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.05 Mb ( 32, 104) Each subspace H/S matrix 0.17 Mb ( 104, 104) Each matrix 0.04 Mb ( 48, 2, 26) Check: negative/imaginary core charge= -0.000005 0.000000 The potential is recalculated from file : ./CrC.save/charge-density.dat Starting wfc are 28 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 40.6 secs Computing kpt #: 2 total cpu time spent up to now is 40.8 secs Computing kpt #: 3 total cpu time spent up to now is 41.2 secs Computing kpt #: 4 total cpu time spent up to now is 41.4 secs Computing kpt #: 5 total cpu time spent up to now is 41.5 secs Computing kpt #: 6 total cpu time spent up to now is 41.7 secs Computing kpt #: 7 total cpu time spent up to now is 41.9 secs Computing kpt #: 8 total cpu time spent up to now is 42.1 secs Computing kpt #: 9 total cpu time spent up to now is 42.3 secs Computing kpt #: 10 total cpu time spent up to now is 42.5 secs Computing kpt #: 11 total cpu time spent up to now is 42.7 secs Computing kpt #: 12 total cpu time spent up to now is 42.9 secs Computing kpt #: 13 total cpu time spent up to now is 43.1 secs Computing kpt #: 14 total cpu time spent up to now is 43.3 secs Computing kpt #: 15 total cpu time spent up to now is 43.5 secs Computing kpt #: 16 total cpu time spent up to now is 43.7 secs Computing kpt #: 17 total cpu time spent up to now is 43.8 secs Computing kpt #: 18 total cpu time spent up to now is 44.0 secs Computing kpt #: 19 total cpu time spent up to now is 44.2 secs Computing kpt #: 20 total cpu time spent up to now is 44.4 secs Computing kpt #: 21 total cpu time spent up to now is 44.6 secs Computing kpt #: 22 total cpu time spent up to now is 44.8 secs Computing kpt #: 23 total cpu time spent up to now is 45.0 secs Computing kpt #: 24 total cpu time spent up to now is 45.1 secs Computing kpt #: 25 total cpu time spent up to now is 45.3 secs Computing kpt #: 26 total cpu time spent up to now is 45.5 secs Computing kpt #: 27 total cpu time spent up to now is 45.7 secs Computing kpt #: 28 total cpu time spent up to now is 45.9 secs Computing kpt #: 29 total cpu time spent up to now is 46.0 secs Computing kpt #: 30 total cpu time spent up to now is 46.2 secs Computing kpt #: 31 total cpu time spent up to now is 46.4 secs Computing kpt #: 32 total cpu time spent up to now is 46.6 secs Computing kpt #: 33 total cpu time spent up to now is 46.8 secs Computing kpt #: 34 total cpu time spent up to now is 47.0 secs Computing kpt #: 35 total cpu time spent up to now is 47.1 secs Computing kpt #: 36 total cpu time spent up to now is 47.3 secs Computing kpt #: 37 total cpu time spent up to now is 47.5 secs Computing kpt #: 38 total cpu time spent up to now is 47.7 secs Computing kpt #: 39 total cpu time spent up to now is 47.9 secs Computing kpt #: 40 total cpu time spent up to now is 48.1 secs Computing kpt #: 41 total cpu time spent up to now is 48.3 secs Computing kpt #: 42 total cpu time spent up to now is 48.5 secs Computing kpt #: 43 total cpu time spent up to now is 48.8 secs Computing kpt #: 44 total cpu time spent up to now is 49.0 secs Computing kpt #: 45 total cpu time spent up to now is 49.2 secs Computing kpt #: 46 total cpu time spent up to now is 49.4 secs Computing kpt #: 47 total cpu time spent up to now is 49.6 secs Computing kpt #: 48 total cpu time spent up to now is 50.0 secs Computing kpt #: 49 total cpu time spent up to now is 50.2 secs Computing kpt #: 50 total cpu time spent up to now is 50.4 secs Computing kpt #: 51 total cpu time spent up to now is 50.6 secs Computing kpt #: 52 total cpu time spent up to now is 50.8 secs Computing kpt #: 53 total cpu time spent up to now is 51.0 secs Computing kpt #: 54 total cpu time spent up to now is 51.3 secs Computing kpt #: 55 total cpu time spent up to now is 51.5 secs Computing kpt #: 56 total cpu time spent up to now is 51.7 secs Computing kpt #: 57 total cpu time spent up to now is 51.9 secs Computing kpt #: 58 total cpu time spent up to now is 52.1 secs Computing kpt #: 59 total cpu time spent up to now is 52.3 secs Computing kpt #: 60 total cpu time spent up to now is 52.5 secs Computing kpt #: 61 total cpu time spent up to now is 52.7 secs Computing kpt #: 62 total cpu time spent up to now is 52.9 secs Computing kpt #: 63 total cpu time spent up to now is 53.3 secs Computing kpt #: 64 total cpu time spent up to now is 53.5 secs Computing kpt #: 65 total cpu time spent up to now is 53.7 secs Computing kpt #: 66 total cpu time spent up to now is 54.3 secs Computing kpt #: 67 total cpu time spent up to now is 54.5 secs Computing kpt #: 68 total cpu time spent up to now is 54.7 secs Computing kpt #: 69 total cpu time spent up to now is 54.8 secs Computing kpt #: 70 total cpu time spent up to now is 55.3 secs Computing kpt #: 71 total cpu time spent up to now is 55.6 secs Computing kpt #: 72 total cpu time spent up to now is 55.8 secs Computing kpt #: 73 total cpu time spent up to now is 56.0 secs Computing kpt #: 74 total cpu time spent up to now is 56.3 secs Computing kpt #: 75 total cpu time spent up to now is 56.5 secs Computing kpt #: 76 total cpu time spent up to now is 56.8 secs Computing kpt #: 77 total cpu time spent up to now is 57.0 secs Computing kpt #: 78 total cpu time spent up to now is 57.3 secs Computing kpt #: 79 total cpu time spent up to now is 57.5 secs Computing kpt #: 80 total cpu time spent up to now is 57.7 secs Computing kpt #: 81 total cpu time spent up to now is 57.9 secs Computing kpt #: 82 total cpu time spent up to now is 58.2 secs Computing kpt #: 83 total cpu time spent up to now is 58.4 secs Computing kpt #: 84 total cpu time spent up to now is 58.6 secs Computing kpt #: 85 total cpu time spent up to now is 58.9 secs Computing kpt #: 86 total cpu time spent up to now is 59.1 secs Computing kpt #: 87 total cpu time spent up to now is 59.3 secs Computing kpt #: 88 total cpu time spent up to now is 59.5 secs Computing kpt #: 89 total cpu time spent up to now is 59.7 secs Computing kpt #: 90 total cpu time spent up to now is 59.9 secs Computing kpt #: 91 total cpu time spent up to now is 60.1 secs Computing kpt #: 92 total cpu time spent up to now is 60.3 secs Computing kpt #: 93 total cpu time spent up to now is 60.5 secs Computing kpt #: 94 total cpu time spent up to now is 60.7 secs Computing kpt #: 95 total cpu time spent up to now is 60.9 secs Computing kpt #: 96 total cpu time spent up to now is 61.2 secs Computing kpt #: 97 total cpu time spent up to now is 61.5 secs Computing kpt #: 98 total cpu time spent up to now is 61.9 secs Computing kpt #: 99 total cpu time spent up to now is 62.1 secs Computing kpt #: 100 total cpu time spent up to now is 62.3 secs Computing kpt #: 101 total cpu time spent up to now is 62.5 secs Computing kpt #: 102 total cpu time spent up to now is 62.9 secs Computing kpt #: 103 total cpu time spent up to now is 63.1 secs Computing kpt #: 104 total cpu time spent up to now is 63.3 secs Computing kpt #: 105 total cpu time spent up to now is 63.7 secs Computing kpt #: 106 total cpu time spent up to now is 63.9 secs Computing kpt #: 107 total cpu time spent up to now is 64.2 secs Computing kpt #: 108 total cpu time spent up to now is 65.0 secs Computing kpt #: 109 total cpu time spent up to now is 65.2 secs Computing kpt #: 110 total cpu time spent up to now is 65.5 secs Computing kpt #: 111 total cpu time spent up to now is 65.8 secs Computing kpt #: 112 total cpu time spent up to now is 66.0 secs Computing kpt #: 113 total cpu time spent up to now is 66.2 secs Computing kpt #: 114 total cpu time spent up to now is 66.4 secs Computing kpt #: 115 total cpu time spent up to now is 66.6 secs Computing kpt #: 116 total cpu time spent up to now is 66.8 secs Computing kpt #: 117 total cpu time spent up to now is 67.0 secs Computing kpt #: 118 total cpu time spent up to now is 67.2 secs Computing kpt #: 119 total cpu time spent up to now is 67.4 secs Computing kpt #: 120 total cpu time spent up to now is 67.6 secs Computing kpt #: 121 total cpu time spent up to now is 67.8 secs Computing kpt #: 122 total cpu time spent up to now is 68.1 secs Computing kpt #: 123 total cpu time spent up to now is 68.3 secs Computing kpt #: 124 total cpu time spent up to now is 68.5 secs Computing kpt #: 125 total cpu time spent up to now is 68.7 secs Computing kpt #: 126 total cpu time spent up to now is 68.9 secs Computing kpt #: 127 total cpu time spent up to now is 69.3 secs Computing kpt #: 128 total cpu time spent up to now is 69.9 secs Computing kpt #: 129 total cpu time spent up to now is 70.1 secs Computing kpt #: 130 total cpu time spent up to now is 70.6 secs Computing kpt #: 131 total cpu time spent up to now is 70.8 secs Computing kpt #: 132 total cpu time spent up to now is 71.1 secs Computing kpt #: 133 total cpu time spent up to now is 71.3 secs Computing kpt #: 134 total cpu time spent up to now is 71.6 secs Computing kpt #: 135 total cpu time spent up to now is 71.9 secs Computing kpt #: 136 total cpu time spent up to now is 72.1 secs Computing kpt #: 137 total cpu time spent up to now is 72.3 secs Computing kpt #: 138 total cpu time spent up to now is 72.7 secs Computing kpt #: 139 total cpu time spent up to now is 72.9 secs Computing kpt #: 140 total cpu time spent up to now is 73.2 secs Computing kpt #: 141 total cpu time spent up to now is 73.5 secs Computing kpt #: 142 total cpu time spent up to now is 73.7 secs Computing kpt #: 143 total cpu time spent up to now is 74.0 secs Computing kpt #: 144 total cpu time spent up to now is 74.3 secs Computing kpt #: 145 total cpu time spent up to now is 74.6 secs Computing kpt #: 146 total cpu time spent up to now is 74.9 secs Computing kpt #: 147 total cpu time spent up to now is 75.2 secs Computing kpt #: 148 total cpu time spent up to now is 75.5 secs Computing kpt #: 149 total cpu time spent up to now is 75.6 secs Computing kpt #: 150 total cpu time spent up to now is 75.8 secs Computing kpt #: 151 total cpu time spent up to now is 76.0 secs Computing kpt #: 152 total cpu time spent up to now is 76.2 secs Computing kpt #: 153 total cpu time spent up to now is 76.4 secs Computing kpt #: 154 total cpu time spent up to now is 76.6 secs Computing kpt #: 155 total cpu time spent up to now is 76.8 secs Computing kpt #: 156 total cpu time spent up to now is 77.0 secs Computing kpt #: 157 total cpu time spent up to now is 77.1 secs Computing kpt #: 158 total cpu time spent up to now is 77.3 secs Computing kpt #: 159 total cpu time spent up to now is 77.5 secs Computing kpt #: 160 total cpu time spent up to now is 77.7 secs Computing kpt #: 161 total cpu time spent up to now is 77.9 secs Computing kpt #: 162 total cpu time spent up to now is 78.1 secs Computing kpt #: 163 total cpu time spent up to now is 78.4 secs Computing kpt #: 164 total cpu time spent up to now is 78.7 secs Computing kpt #: 165 total cpu time spent up to now is 78.9 secs Computing kpt #: 166 total cpu time spent up to now is 79.1 secs Computing kpt #: 167 total cpu time spent up to now is 79.8 secs Computing kpt #: 168 total cpu time spent up to now is 80.2 secs Computing kpt #: 169 total cpu time spent up to now is 80.4 secs Computing kpt #: 170 total cpu time spent up to now is 80.8 secs Computing kpt #: 171 total cpu time spent up to now is 81.1 secs Computing kpt #: 172 total cpu time spent up to now is 81.5 secs Computing kpt #: 173 total cpu time spent up to now is 82.1 secs Computing kpt #: 174 total cpu time spent up to now is 82.4 secs Computing kpt #: 175 total cpu time spent up to now is 82.8 secs Computing kpt #: 176 total cpu time spent up to now is 83.4 secs Computing kpt #: 177 total cpu time spent up to now is 83.6 secs Computing kpt #: 178 total cpu time spent up to now is 83.9 secs Computing kpt #: 179 total cpu time spent up to now is 84.1 secs Computing kpt #: 180 total cpu time spent up to now is 84.4 secs Computing kpt #: 181 total cpu time spent up to now is 84.7 secs Computing kpt #: 182 total cpu time spent up to now is 85.0 secs Computing kpt #: 183 total cpu time spent up to now is 85.3 secs Computing kpt #: 184 total cpu time spent up to now is 85.5 secs Computing kpt #: 185 total cpu time spent up to now is 85.8 secs Computing kpt #: 186 total cpu time spent up to now is 86.0 secs Computing kpt #: 187 total cpu time spent up to now is 86.2 secs Computing kpt #: 188 total cpu time spent up to now is 86.4 secs Computing kpt #: 189 total cpu time spent up to now is 86.7 secs Computing kpt #: 190 total cpu time spent up to now is 86.9 secs Computing kpt #: 191 total cpu time spent up to now is 87.1 secs Computing kpt #: 192 total cpu time spent up to now is 87.2 secs Computing kpt #: 193 total cpu time spent up to now is 87.4 secs Computing kpt #: 194 total cpu time spent up to now is 87.6 secs Computing kpt #: 195 total cpu time spent up to now is 87.8 secs Computing kpt #: 196 total cpu time spent up to now is 88.0 secs Computing kpt #: 197 total cpu time spent up to now is 88.1 secs Computing kpt #: 198 total cpu time spent up to now is 88.3 secs Computing kpt #: 199 total cpu time spent up to now is 88.5 secs Computing kpt #: 200 total cpu time spent up to now is 88.7 secs Computing kpt #: 201 total cpu time spent up to now is 88.9 secs Computing kpt #: 202 total cpu time spent up to now is 89.0 secs Computing kpt #: 203 total cpu time spent up to now is 89.2 secs Computing kpt #: 204 total cpu time spent up to now is 89.4 secs Computing kpt #: 205 total cpu time spent up to now is 89.7 secs Computing kpt #: 206 total cpu time spent up to now is 89.9 secs Computing kpt #: 207 total cpu time spent up to now is 90.1 secs Computing kpt #: 208 total cpu time spent up to now is 90.3 secs Computing kpt #: 209 total cpu time spent up to now is 90.6 secs Computing kpt #: 210 total cpu time spent up to now is 90.8 secs Computing kpt #: 211 total cpu time spent up to now is 91.0 secs Computing kpt #: 212 total cpu time spent up to now is 91.2 secs Computing kpt #: 213 total cpu time spent up to now is 91.4 secs Computing kpt #: 214 total cpu time spent up to now is 91.8 secs Computing kpt #: 215 total cpu time spent up to now is 92.2 secs Computing kpt #: 216 total cpu time spent up to now is 92.4 secs Computing kpt #: 217 total cpu time spent up to now is 92.6 secs Computing kpt #: 218 total cpu time spent up to now is 92.9 secs Computing kpt #: 219 total cpu time spent up to now is 93.1 secs Computing kpt #: 220 total cpu time spent up to now is 93.4 secs Computing kpt #: 221 total cpu time spent up to now is 93.5 secs Computing kpt #: 222 total cpu time spent up to now is 93.9 secs Computing kpt #: 223 total cpu time spent up to now is 94.1 secs Computing kpt #: 224 total cpu time spent up to now is 94.3 secs Computing kpt #: 225 total cpu time spent up to now is 94.5 secs Computing kpt #: 226 total cpu time spent up to now is 94.7 secs Computing kpt #: 227 total cpu time spent up to now is 94.9 secs Computing kpt #: 228 total cpu time spent up to now is 95.1 secs Computing kpt #: 229 total cpu time spent up to now is 95.3 secs Computing kpt #: 230 total cpu time spent up to now is 95.5 secs Computing kpt #: 231 total cpu time spent up to now is 95.7 secs Computing kpt #: 232 total cpu time spent up to now is 95.8 secs Computing kpt #: 233 total cpu time spent up to now is 96.0 secs Computing kpt #: 234 total cpu time spent up to now is 96.2 secs Computing kpt #: 235 total cpu time spent up to now is 96.4 secs Computing kpt #: 236 total cpu time spent up to now is 96.6 secs Computing kpt #: 237 total cpu time spent up to now is 96.8 secs Computing kpt #: 238 total cpu time spent up to now is 97.0 secs Computing kpt #: 239 total cpu time spent up to now is 97.1 secs Computing kpt #: 240 total cpu time spent up to now is 97.3 secs Computing kpt #: 241 total cpu time spent up to now is 97.5 secs Computing kpt #: 242 total cpu time spent up to now is 97.7 secs Computing kpt #: 243 total cpu time spent up to now is 97.9 secs Computing kpt #: 244 total cpu time spent up to now is 98.1 secs Computing kpt #: 245 total cpu time spent up to now is 98.3 secs Computing kpt #: 246 total cpu time spent up to now is 99.1 secs Computing kpt #: 247 total cpu time spent up to now is 99.3 secs Computing kpt #: 248 total cpu time spent up to now is 99.7 secs Computing kpt #: 249 total cpu time spent up to now is 100.0 secs Computing kpt #: 250 total cpu time spent up to now is 100.2 secs Computing kpt #: 251 total cpu time spent up to now is 100.5 secs Computing kpt #: 252 total cpu time spent up to now is 100.7 secs Computing kpt #: 253 total cpu time spent up to now is 101.0 secs Computing kpt #: 254 total cpu time spent up to now is 101.3 secs Computing kpt #: 255 total cpu time spent up to now is 101.7 secs Computing kpt #: 256 total cpu time spent up to now is 102.0 secs Computing kpt #: 257 total cpu time spent up to now is 102.2 secs Computing kpt #: 258 total cpu time spent up to now is 102.4 secs Computing kpt #: 259 total cpu time spent up to now is 102.8 secs Computing kpt #: 260 total cpu time spent up to now is 103.0 secs Computing kpt #: 261 total cpu time spent up to now is 103.3 secs Computing kpt #: 262 total cpu time spent up to now is 103.5 secs Computing kpt #: 263 total cpu time spent up to now is 103.8 secs Computing kpt #: 264 total cpu time spent up to now is 104.1 secs Computing kpt #: 265 total cpu time spent up to now is 104.3 secs Computing kpt #: 266 total cpu time spent up to now is 104.7 secs Computing kpt #: 267 total cpu time spent up to now is 105.0 secs Computing kpt #: 268 total cpu time spent up to now is 105.2 secs Computing kpt #: 269 total cpu time spent up to now is 105.4 secs Computing kpt #: 270 total cpu time spent up to now is 105.6 secs Computing kpt #: 271 total cpu time spent up to now is 105.8 secs Computing kpt #: 272 total cpu time spent up to now is 106.0 secs Computing kpt #: 273 total cpu time spent up to now is 106.2 secs Computing kpt #: 274 total cpu time spent up to now is 106.4 secs Computing kpt #: 275 total cpu time spent up to now is 106.6 secs Computing kpt #: 276 total cpu time spent up to now is 106.8 secs Computing kpt #: 277 total cpu time spent up to now is 107.0 secs Computing kpt #: 278 total cpu time spent up to now is 107.2 secs Computing kpt #: 279 total cpu time spent up to now is 107.3 secs Computing kpt #: 280 total cpu time spent up to now is 107.5 secs Computing kpt #: 281 total cpu time spent up to now is 108.1 secs Computing kpt #: 282 total cpu time spent up to now is 108.4 secs Computing kpt #: 283 total cpu time spent up to now is 108.6 secs Computing kpt #: 284 total cpu time spent up to now is 108.8 secs Computing kpt #: 285 total cpu time spent up to now is 109.0 secs Computing kpt #: 286 total cpu time spent up to now is 109.2 secs Computing kpt #: 287 total cpu time spent up to now is 109.4 secs Computing kpt #: 288 total cpu time spent up to now is 109.6 secs Computing kpt #: 289 total cpu time spent up to now is 109.8 secs Computing kpt #: 290 total cpu time spent up to now is 109.9 secs Computing kpt #: 291 total cpu time spent up to now is 110.1 secs Computing kpt #: 292 total cpu time spent up to now is 110.3 secs Computing kpt #: 293 total cpu time spent up to now is 110.5 secs Computing kpt #: 294 total cpu time spent up to now is 110.7 secs Computing kpt #: 295 total cpu time spent up to now is 110.9 secs Computing kpt #: 296 total cpu time spent up to now is 111.1 secs Computing kpt #: 297 total cpu time spent up to now is 111.9 secs Computing kpt #: 298 total cpu time spent up to now is 112.0 secs Computing kpt #: 299 total cpu time spent up to now is 112.2 secs Computing kpt #: 300 total cpu time spent up to now is 112.5 secs Computing kpt #: 301 total cpu time spent up to now is 112.8 secs Computing kpt #: 302 total cpu time spent up to now is 113.0 secs Computing kpt #: 303 total cpu time spent up to now is 113.3 secs Computing kpt #: 304 total cpu time spent up to now is 114.5 secs Computing kpt #: 305 total cpu time spent up to now is 115.1 secs Computing kpt #: 306 total cpu time spent up to now is 115.7 secs Computing kpt #: 307 total cpu time spent up to now is 116.1 secs Computing kpt #: 308 total cpu time spent up to now is 116.4 secs Computing kpt #: 309 total cpu time spent up to now is 116.6 secs Computing kpt #: 310 total cpu time spent up to now is 116.8 secs Computing kpt #: 311 total cpu time spent up to now is 117.1 secs Computing kpt #: 312 total cpu time spent up to now is 117.5 secs Computing kpt #: 313 total cpu time spent up to now is 117.7 secs Computing kpt #: 314 total cpu time spent up to now is 118.1 secs Computing kpt #: 315 total cpu time spent up to now is 118.4 secs Computing kpt #: 316 total cpu time spent up to now is 119.2 secs Computing kpt #: 317 total cpu time spent up to now is 119.6 secs Computing kpt #: 318 total cpu time spent up to now is 119.8 secs Computing kpt #: 319 total cpu time spent up to now is 120.1 secs Computing kpt #: 320 total cpu time spent up to now is 120.4 secs Computing kpt #: 321 total cpu time spent up to now is 120.6 secs Computing kpt #: 322 total cpu time spent up to now is 120.8 secs Computing kpt #: 323 total cpu time spent up to now is 121.0 secs Computing kpt #: 324 total cpu time spent up to now is 121.2 secs Computing kpt #: 325 total cpu time spent up to now is 121.4 secs Computing kpt #: 326 total cpu time spent up to now is 121.6 secs Computing kpt #: 327 total cpu time spent up to now is 121.9 secs Computing kpt #: 328 total cpu time spent up to now is 122.1 secs Computing kpt #: 329 total cpu time spent up to now is 122.3 secs Computing kpt #: 330 total cpu time spent up to now is 122.5 secs Computing kpt #: 331 total cpu time spent up to now is 122.7 secs Computing kpt #: 332 total cpu time spent up to now is 122.9 secs Computing kpt #: 333 total cpu time spent up to now is 123.1 secs Computing kpt #: 334 total cpu time spent up to now is 123.4 secs Computing kpt #: 335 total cpu time spent up to now is 123.6 secs Computing kpt #: 336 total cpu time spent up to now is 123.8 secs Computing kpt #: 337 total cpu time spent up to now is 124.3 secs Computing kpt #: 338 total cpu time spent up to now is 124.5 secs Computing kpt #: 339 total cpu time spent up to now is 124.7 secs Computing kpt #: 340 total cpu time spent up to now is 124.9 secs Computing kpt #: 341 total cpu time spent up to now is 125.2 secs Computing kpt #: 342 total cpu time spent up to now is 125.4 secs Computing kpt #: 343 total cpu time spent up to now is 125.7 secs Computing kpt #: 344 total cpu time spent up to now is 126.0 secs Computing kpt #: 345 total cpu time spent up to now is 126.6 secs Computing kpt #: 346 total cpu time spent up to now is 126.8 secs Computing kpt #: 347 total cpu time spent up to now is 127.1 secs Computing kpt #: 348 total cpu time spent up to now is 127.3 secs Computing kpt #: 349 total cpu time spent up to now is 127.5 secs Computing kpt #: 350 total cpu time spent up to now is 127.7 secs Computing kpt #: 351 total cpu time spent up to now is 128.1 secs Computing kpt #: 352 total cpu time spent up to now is 128.3 secs Computing kpt #: 353 total cpu time spent up to now is 128.5 secs Computing kpt #: 354 total cpu time spent up to now is 128.8 secs Computing kpt #: 355 total cpu time spent up to now is 129.1 secs Computing kpt #: 356 total cpu time spent up to now is 129.5 secs Computing kpt #: 357 total cpu time spent up to now is 129.8 secs Computing kpt #: 358 total cpu time spent up to now is 130.1 secs Computing kpt #: 359 total cpu time spent up to now is 130.5 secs Computing kpt #: 360 total cpu time spent up to now is 130.7 secs Computing kpt #: 361 total cpu time spent up to now is 131.7 secs Computing kpt #: 362 total cpu time spent up to now is 131.9 secs Computing kpt #: 363 total cpu time spent up to now is 132.2 secs Computing kpt #: 364 total cpu time spent up to now is 132.4 secs Computing kpt #: 365 total cpu time spent up to now is 132.6 secs Computing kpt #: 366 total cpu time spent up to now is 132.8 secs Computing kpt #: 367 total cpu time spent up to now is 133.0 secs Computing kpt #: 368 total cpu time spent up to now is 133.2 secs Computing kpt #: 369 total cpu time spent up to now is 133.4 secs Computing kpt #: 370 total cpu time spent up to now is 133.6 secs Computing kpt #: 371 total cpu time spent up to now is 133.8 secs Computing kpt #: 372 total cpu time spent up to now is 134.0 secs Computing kpt #: 373 total cpu time spent up to now is 134.2 secs Computing kpt #: 374 total cpu time spent up to now is 134.4 secs Computing kpt #: 375 total cpu time spent up to now is 134.6 secs Computing kpt #: 376 total cpu time spent up to now is 134.8 secs Computing kpt #: 377 total cpu time spent up to now is 135.0 secs Computing kpt #: 378 total cpu time spent up to now is 135.2 secs Computing kpt #: 379 total cpu time spent up to now is 135.4 secs Computing kpt #: 380 total cpu time spent up to now is 135.6 secs Computing kpt #: 381 total cpu time spent up to now is 135.8 secs Computing kpt #: 382 total cpu time spent up to now is 136.0 secs Computing kpt #: 383 total cpu time spent up to now is 136.3 secs Computing kpt #: 384 total cpu time spent up to now is 136.5 secs Computing kpt #: 385 total cpu time spent up to now is 136.7 secs Computing kpt #: 386 total cpu time spent up to now is 136.9 secs Computing kpt #: 387 total cpu time spent up to now is 137.1 secs Computing kpt #: 388 total cpu time spent up to now is 137.3 secs Computing kpt #: 389 total cpu time spent up to now is 137.5 secs Computing kpt #: 390 total cpu time spent up to now is 137.7 secs Computing kpt #: 391 total cpu time spent up to now is 137.9 secs Computing kpt #: 392 total cpu time spent up to now is 138.1 secs Computing kpt #: 393 total cpu time spent up to now is 138.3 secs Computing kpt #: 394 total cpu time spent up to now is 138.4 secs Computing kpt #: 395 total cpu time spent up to now is 138.6 secs Computing kpt #: 396 total cpu time spent up to now is 138.8 secs Computing kpt #: 397 total cpu time spent up to now is 139.0 secs Computing kpt #: 398 total cpu time spent up to now is 139.2 secs Computing kpt #: 399 total cpu time spent up to now is 139.4 secs Computing kpt #: 400 total cpu time spent up to now is 139.6 secs Computing kpt #: 401 total cpu time spent up to now is 139.8 secs Computing kpt #: 402 total cpu time spent up to now is 140.0 secs Computing kpt #: 403 total cpu time spent up to now is 140.2 secs Computing kpt #: 404 total cpu time spent up to now is 140.4 secs Computing kpt #: 405 total cpu time spent up to now is 140.6 secs Computing kpt #: 406 total cpu time spent up to now is 140.8 secs Computing kpt #: 407 total cpu time spent up to now is 141.0 secs Computing kpt #: 408 total cpu time spent up to now is 141.2 secs Computing kpt #: 409 total cpu time spent up to now is 141.4 secs Computing kpt #: 410 total cpu time spent up to now is 141.6 secs Computing kpt #: 411 total cpu time spent up to now is 141.9 secs Computing kpt #: 412 total cpu time spent up to now is 142.1 secs Computing kpt #: 413 total cpu time spent up to now is 142.4 secs Computing kpt #: 414 total cpu time spent up to now is 142.6 secs Computing kpt #: 415 total cpu time spent up to now is 142.9 secs Computing kpt #: 416 total cpu time spent up to now is 143.1 secs Computing kpt #: 417 total cpu time spent up to now is 143.4 secs Computing kpt #: 418 total cpu time spent up to now is 143.7 secs Computing kpt #: 419 total cpu time spent up to now is 143.9 secs Computing kpt #: 420 total cpu time spent up to now is 144.2 secs Computing kpt #: 421 total cpu time spent up to now is 144.6 secs Computing kpt #: 422 total cpu time spent up to now is 145.0 secs Computing kpt #: 423 total cpu time spent up to now is 145.4 secs Computing kpt #: 424 total cpu time spent up to now is 145.8 secs Computing kpt #: 425 total cpu time spent up to now is 146.2 secs Computing kpt #: 426 total cpu time spent up to now is 146.7 secs Computing kpt #: 427 total cpu time spent up to now is 147.0 secs Computing kpt #: 428 total cpu time spent up to now is 147.9 secs Computing kpt #: 429 total cpu time spent up to now is 148.8 secs Computing kpt #: 430 total cpu time spent up to now is 149.2 secs Computing kpt #: 431 total cpu time spent up to now is 149.5 secs Computing kpt #: 432 total cpu time spent up to now is 149.7 secs Computing kpt #: 433 total cpu time spent up to now is 149.9 secs Computing kpt #: 434 total cpu time spent up to now is 150.1 secs Computing kpt #: 435 total cpu time spent up to now is 150.3 secs Computing kpt #: 436 total cpu time spent up to now is 150.5 secs Computing kpt #: 437 total cpu time spent up to now is 150.7 secs Computing kpt #: 438 total cpu time spent up to now is 150.9 secs Computing kpt #: 439 total cpu time spent up to now is 151.1 secs Computing kpt #: 440 total cpu time spent up to now is 151.3 secs Computing kpt #: 441 total cpu time spent up to now is 151.5 secs Computing kpt #: 442 total cpu time spent up to now is 151.7 secs Computing kpt #: 443 total cpu time spent up to now is 151.9 secs Computing kpt #: 444 total cpu time spent up to now is 152.1 secs Computing kpt #: 445 total cpu time spent up to now is 152.3 secs Computing kpt #: 446 total cpu time spent up to now is 152.5 secs Computing kpt #: 447 total cpu time spent up to now is 152.8 secs Computing kpt #: 448 total cpu time spent up to now is 153.0 secs Computing kpt #: 449 total cpu time spent up to now is 153.2 secs Computing kpt #: 450 total cpu time spent up to now is 153.5 secs Computing kpt #: 451 total cpu time spent up to now is 154.0 secs Computing kpt #: 452 total cpu time spent up to now is 154.2 secs Computing kpt #: 453 total cpu time spent up to now is 154.4 secs Computing kpt #: 454 total cpu time spent up to now is 154.8 secs Computing kpt #: 455 total cpu time spent up to now is 155.3 secs Computing kpt #: 456 total cpu time spent up to now is 155.7 secs Computing kpt #: 457 total cpu time spent up to now is 156.0 secs Computing kpt #: 458 total cpu time spent up to now is 156.3 secs Computing kpt #: 459 total cpu time spent up to now is 157.4 secs Computing kpt #: 460 total cpu time spent up to now is 157.7 secs Computing kpt #: 461 total cpu time spent up to now is 157.9 secs Computing kpt #: 462 total cpu time spent up to now is 158.1 secs Computing kpt #: 463 total cpu time spent up to now is 158.3 secs Computing kpt #: 464 total cpu time spent up to now is 158.5 secs Computing kpt #: 465 total cpu time spent up to now is 158.7 secs Computing kpt #: 466 total cpu time spent up to now is 158.9 secs Computing kpt #: 467 total cpu time spent up to now is 159.1 secs Computing kpt #: 468 total cpu time spent up to now is 159.3 secs Computing kpt #: 469 total cpu time spent up to now is 159.4 secs Computing kpt #: 470 total cpu time spent up to now is 159.6 secs Computing kpt #: 471 total cpu time spent up to now is 159.8 secs Computing kpt #: 472 total cpu time spent up to now is 160.0 secs Computing kpt #: 473 total cpu time spent up to now is 160.2 secs Computing kpt #: 474 total cpu time spent up to now is 160.4 secs Computing kpt #: 475 total cpu time spent up to now is 160.6 secs Computing kpt #: 476 total cpu time spent up to now is 160.8 secs Computing kpt #: 477 total cpu time spent up to now is 161.0 secs Computing kpt #: 478 total cpu time spent up to now is 161.2 secs Computing kpt #: 479 total cpu time spent up to now is 161.4 secs Computing kpt #: 480 total cpu time spent up to now is 161.6 secs Computing kpt #: 481 total cpu time spent up to now is 161.8 secs Computing kpt #: 482 total cpu time spent up to now is 162.0 secs Computing kpt #: 483 total cpu time spent up to now is 162.2 secs Computing kpt #: 484 total cpu time spent up to now is 162.4 secs Computing kpt #: 485 total cpu time spent up to now is 162.6 secs Computing kpt #: 486 total cpu time spent up to now is 162.8 secs Computing kpt #: 487 total cpu time spent up to now is 163.0 secs Computing kpt #: 488 total cpu time spent up to now is 163.2 secs Computing kpt #: 489 total cpu time spent up to now is 163.3 secs Computing kpt #: 490 total cpu time spent up to now is 163.5 secs Computing kpt #: 491 total cpu time spent up to now is 163.7 secs Computing kpt #: 492 total cpu time spent up to now is 163.9 secs Computing kpt #: 493 total cpu time spent up to now is 164.1 secs Computing kpt #: 494 total cpu time spent up to now is 164.3 secs Computing kpt #: 495 total cpu time spent up to now is 164.5 secs Computing kpt #: 496 total cpu time spent up to now is 164.7 secs Computing kpt #: 497 total cpu time spent up to now is 164.9 secs Computing kpt #: 498 total cpu time spent up to now is 165.1 secs Computing kpt #: 499 total cpu time spent up to now is 165.2 secs Computing kpt #: 500 total cpu time spent up to now is 165.4 secs Computing kpt #: 501 total cpu time spent up to now is 165.6 secs Computing kpt #: 502 total cpu time spent up to now is 165.8 secs Computing kpt #: 503 total cpu time spent up to now is 166.0 secs Computing kpt #: 504 total cpu time spent up to now is 166.2 secs Computing kpt #: 505 total cpu time spent up to now is 166.4 secs Computing kpt #: 506 total cpu time spent up to now is 166.6 secs Computing kpt #: 507 total cpu time spent up to now is 166.8 secs Computing kpt #: 508 total cpu time spent up to now is 167.0 secs Computing kpt #: 509 total cpu time spent up to now is 167.2 secs Computing kpt #: 510 total cpu time spent up to now is 167.4 secs Computing kpt #: 511 total cpu time spent up to now is 167.6 secs Computing kpt #: 512 total cpu time spent up to now is 167.8 secs Computing kpt #: 513 total cpu time spent up to now is 168.0 secs Computing kpt #: 514 total cpu time spent up to now is 168.2 secs Computing kpt #: 515 total cpu time spent up to now is 168.4 secs Computing kpt #: 516 total cpu time spent up to now is 168.6 secs Computing kpt #: 517 total cpu time spent up to now is 168.8 secs Computing kpt #: 518 total cpu time spent up to now is 169.0 secs Computing kpt #: 519 total cpu time spent up to now is 169.2 secs Computing kpt #: 520 total cpu time spent up to now is 169.4 secs Computing kpt #: 521 total cpu time spent up to now is 169.6 secs Computing kpt #: 522 total cpu time spent up to now is 169.8 secs Computing kpt #: 523 total cpu time spent up to now is 170.0 secs Computing kpt #: 524 total cpu time spent up to now is 170.2 secs Computing kpt #: 525 total cpu time spent up to now is 170.4 secs Computing kpt #: 526 total cpu time spent up to now is 170.6 secs Computing kpt #: 527 total cpu time spent up to now is 170.8 secs Computing kpt #: 528 total cpu time spent up to now is 171.0 secs Computing kpt #: 529 total cpu time spent up to now is 171.2 secs Computing kpt #: 530 total cpu time spent up to now is 171.4 secs Computing kpt #: 531 total cpu time spent up to now is 171.6 secs Computing kpt #: 532 total cpu time spent up to now is 171.7 secs Computing kpt #: 533 total cpu time spent up to now is 171.9 secs Computing kpt #: 534 total cpu time spent up to now is 172.1 secs Computing kpt #: 535 total cpu time spent up to now is 172.3 secs Computing kpt #: 536 total cpu time spent up to now is 172.5 secs Computing kpt #: 537 total cpu time spent up to now is 172.7 secs Computing kpt #: 538 total cpu time spent up to now is 172.9 secs Computing kpt #: 539 total cpu time spent up to now is 173.1 secs Computing kpt #: 540 total cpu time spent up to now is 173.3 secs Computing kpt #: 541 total cpu time spent up to now is 173.5 secs Computing kpt #: 542 total cpu time spent up to now is 173.6 secs Computing kpt #: 543 total cpu time spent up to now is 174.0 secs Computing kpt #: 544 total cpu time spent up to now is 174.3 secs Computing kpt #: 545 total cpu time spent up to now is 174.5 secs Computing kpt #: 546 total cpu time spent up to now is 174.7 secs Computing kpt #: 547 total cpu time spent up to now is 175.1 secs Computing kpt #: 548 total cpu time spent up to now is 175.4 secs Computing kpt #: 549 total cpu time spent up to now is 175.6 secs Computing kpt #: 550 total cpu time spent up to now is 175.8 secs Computing kpt #: 551 total cpu time spent up to now is 176.0 secs Computing kpt #: 552 total cpu time spent up to now is 176.3 secs Computing kpt #: 553 total cpu time spent up to now is 176.5 secs Computing kpt #: 554 total cpu time spent up to now is 176.8 secs Computing kpt #: 555 total cpu time spent up to now is 177.0 secs Computing kpt #: 556 total cpu time spent up to now is 177.2 secs Computing kpt #: 557 total cpu time spent up to now is 177.4 secs Computing kpt #: 558 total cpu time spent up to now is 177.7 secs Computing kpt #: 559 total cpu time spent up to now is 177.9 secs Computing kpt #: 560 total cpu time spent up to now is 178.1 secs Computing kpt #: 561 total cpu time spent up to now is 178.5 secs Computing kpt #: 562 total cpu time spent up to now is 178.8 secs ethr = 5.56E-11, avg # of iterations = 12.8 total cpu time spent up to now is 179.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 659 PWs) bands (ev): -54.0021 -54.0021 -25.8235 -25.8235 -24.7880 -24.7880 -24.7763 -24.7763 3.5535 3.5535 14.8829 14.8829 15.2470 15.2470 15.2856 15.2856 18.8810 18.8810 18.9755 18.9755 19.0170 19.0170 23.1249 23.1249 23.1489 23.1489 k = 0.0074 0.0042-0.0000 ( 659 PWs) bands (ev): -54.0021 -54.0021 -25.8236 -25.8236 -24.7880 -24.7880 -24.7765 -24.7765 3.5548 3.5548 14.8822 14.8822 15.2471 15.2471 15.2857 15.2857 18.8228 18.8228 18.9916 18.9916 19.0596 19.0596 23.1227 23.1227 23.1467 23.1467 k = 0.0147 0.0085-0.0000 ( 659 PWs) bands (ev): -54.0020 -54.0020 -25.8239 -25.8239 -24.7881 -24.7881 -24.7769 -24.7769 3.5587 3.5587 14.8801 14.8801 15.2473 15.2473 15.2863 15.2863 18.7311 18.7311 18.9943 18.9943 19.1501 19.1501 23.1159 23.1159 23.1404 23.1404 k = 0.0221 0.0127-0.0000 ( 655 PWs) bands (ev): -54.0018 -54.0018 -25.8242 -25.8242 -24.7883 -24.7883 -24.7776 -24.7776 3.5653 3.5653 14.8763 14.8763 15.2472 15.2472 15.2880 15.2880 18.6356 18.6356 18.9939 18.9939 19.2485 19.2485 23.1041 23.1041 23.1303 23.1303 k = 0.0294 0.0170-0.0000 ( 651 PWs) bands (ev): -54.0016 -54.0016 -25.8247 -25.8247 -24.7885 -24.7885 -24.7785 -24.7785 3.5744 3.5744 14.8708 14.8708 15.2461 15.2461 15.2916 15.2916 18.5396 18.5396 18.9928 18.9928 19.3491 19.3491 23.0871 23.0871 23.1170 23.1170 k = 0.0368 0.0212-0.0000 ( 651 PWs) bands (ev): -54.0012 -54.0012 -25.8255 -25.8255 -24.7889 -24.7889 -24.7797 -24.7797 3.5862 3.5862 14.8629 14.8629 15.2440 15.2440 15.2976 15.2976 18.4439 18.4439 18.9911 18.9911 19.4509 19.4509 23.0644 23.0644 23.1007 23.1007 k = 0.0441 0.0255-0.0000 ( 651 PWs) bands (ev): -54.0009 -54.0009 -25.8263 -25.8263 -24.7895 -24.7895 -24.7811 -24.7811 3.6005 3.6005 14.8525 14.8525 15.2411 15.2411 15.3060 15.3060 18.3488 18.3488 18.9890 18.9890 19.5534 19.5534 23.0364 23.0364 23.0818 23.0818 k = 0.0515 0.0297-0.0000 ( 647 PWs) bands (ev): -54.0004 -54.0004 -25.8273 -25.8273 -24.7903 -24.7903 -24.7824 -24.7824 3.6174 3.6174 14.8390 14.8390 15.2381 15.2381 15.3169 15.3169 18.2545 18.2545 18.9865 18.9865 19.6566 19.6566 23.0031 23.0031 23.0600 23.0600 k = 0.0588 0.0340-0.0000 ( 647 PWs) bands (ev): -53.9999 -53.9999 -25.8285 -25.8285 -24.7917 -24.7917 -24.7836 -24.7836 3.6369 3.6369 14.8219 14.8219 15.2355 15.2355 15.3300 15.3300 18.1611 18.1611 18.9836 18.9836 19.7602 19.7602 22.9650 22.9650 23.0355 23.0355 k = 0.0662 0.0382-0.0000 ( 648 PWs) bands (ev): -53.9993 -53.9993 -25.8299 -25.8299 -24.7936 -24.7936 -24.7846 -24.7846 3.6590 3.6590 14.8010 14.8010 15.2340 15.2340 15.3452 15.3452 18.0686 18.0686 18.9802 18.9802 19.8641 19.8641 22.9222 22.9222 23.0081 23.0081 k = 0.0735 0.0425-0.0000 ( 646 PWs) bands (ev): -53.9987 -53.9987 -25.8314 -25.8314 -24.7961 -24.7961 -24.7854 -24.7854 3.6836 3.6836 14.7760 14.7760 15.2341 15.2341 15.3624 15.3624 17.9771 17.9771 18.9765 18.9765 19.9683 19.9683 22.8751 22.8751 22.9780 22.9780 k = 0.0809 0.0467-0.0000 ( 646 PWs) bands (ev): -53.9980 -53.9980 -25.8331 -25.8331 -24.7990 -24.7990 -24.7860 -24.7860 3.7107 3.7107 14.7466 14.7466 15.2359 15.2359 15.3815 15.3815 17.8866 17.8866 18.9724 18.9724 20.0727 20.0727 22.8241 22.8241 22.9452 22.9452 k = 0.0882 0.0509-0.0000 ( 650 PWs) bands (ev): -53.9972 -53.9972 -25.8350 -25.8350 -24.8025 -24.8025 -24.7865 -24.7865 3.7403 3.7403 14.7128 14.7128 15.2395 15.2395 15.4024 15.4024 17.7971 17.7971 18.9680 18.9680 20.1772 20.1772 22.7693 22.7693 22.9097 22.9097 k = 0.0956 0.0552-0.0000 ( 650 PWs) bands (ev): -53.9964 -53.9964 -25.8370 -25.8370 -24.8063 -24.8063 -24.7869 -24.7869 3.7723 3.7723 14.6749 14.6749 15.2450 15.2450 15.4252 15.4252 17.7089 17.7089 18.9632 18.9632 20.2817 20.2817 22.7110 22.7110 22.8718 22.8718 k = 0.1029 0.0594-0.0000 ( 650 PWs) bands (ev): -53.9956 -53.9956 -25.8391 -25.8391 -24.8103 -24.8103 -24.7872 -24.7872 3.8068 3.8068 14.6328 14.6328 15.2524 15.2524 15.4498 15.4498 17.6218 17.6218 18.9581 18.9581 20.3863 20.3863 22.6495 22.6495 22.8315 22.8315 k = 0.1103 0.0637-0.0000 ( 650 PWs) bands (ev): -53.9946 -53.9946 -25.8414 -25.8414 -24.8147 -24.8147 -24.7875 -24.7875 3.8438 3.8438 14.5869 14.5869 15.2614 15.2614 15.4761 15.4761 17.5359 17.5359 18.9527 18.9527 20.4907 20.4907 22.5852 22.5852 22.7888 22.7888 k = 0.1176 0.0679-0.0000 ( 650 PWs) bands (ev): -53.9936 -53.9936 -25.8438 -25.8438 -24.8193 -24.8193 -24.7878 -24.7878 3.8831 3.8831 14.5374 14.5374 15.2719 15.2719 15.5042 15.5042 17.4512 17.4512 18.9470 18.9470 20.5950 20.5950 22.5183 22.5183 22.7439 22.7439 k = 0.1250 0.0722-0.0000 ( 650 PWs) bands (ev): -53.9926 -53.9926 -25.8464 -25.8464 -24.8241 -24.8241 -24.7881 -24.7881 3.9247 3.9247 14.4844 14.4844 15.2837 15.2837 15.5339 15.5339 17.3678 17.3678 18.9410 18.9410 20.6990 20.6990 22.4491 22.4491 22.6970 22.6970 k = 0.1324 0.0764-0.0000 ( 652 PWs) bands (ev): -53.9915 -53.9915 -25.8492 -25.8492 -24.8292 -24.8292 -24.7884 -24.7884 3.9687 3.9687 14.4283 14.4283 15.2966 15.2966 15.5652 15.5652 17.2856 17.2856 18.9347 18.9347 20.8028 20.8028 22.3779 22.3779 22.6480 22.6480 k = 0.1397 0.0807-0.0000 ( 646 PWs) bands (ev): -53.9904 -53.9904 -25.8519 -25.8519 -24.8344 -24.8344 -24.7886 -24.7886 4.0150 4.0150 14.3693 14.3693 15.3107 15.3107 15.5982 15.5982 17.2048 17.2048 18.9283 18.9283 20.9062 20.9062 22.3049 22.3049 22.5972 22.5972 k = 0.1471 0.0849-0.0000 ( 648 PWs) bands (ev): -53.9892 -53.9892 -25.8550 -25.8550 -24.8400 -24.8400 -24.7888 -24.7888 4.0635 4.0635 14.3075 14.3075 15.3254 15.3254 15.6327 15.6327 17.1253 17.1253 18.9215 18.9215 21.0091 21.0091 22.2305 22.2305 22.5447 22.5447 k = 0.1544 0.0891-0.0000 ( 648 PWs) bands (ev): -53.9880 -53.9880 -25.8581 -25.8581 -24.8456 -24.8456 -24.7891 -24.7891 4.1142 4.1142 14.2433 14.2433 15.3407 15.3407 15.6688 15.6688 17.0471 17.0471 18.9145 18.9145 21.1114 21.1114 22.1550 22.1550 22.4906 22.4906 k = 0.1618 0.0934-0.0000 ( 648 PWs) bands (ev): -53.9867 -53.9867 -25.8614 -25.8614 -24.8514 -24.8514 -24.7893 -24.7893 4.1671 4.1671 14.1767 14.1767 15.3564 15.3564 15.7064 15.7064 16.9703 16.9703 18.9072 18.9072 21.2131 21.2131 22.0786 22.0786 22.4350 22.4350 k = 0.1691 0.0976-0.0000 ( 648 PWs) bands (ev): -53.9854 -53.9854 -25.8647 -25.8647 -24.8574 -24.8574 -24.7896 -24.7896 4.2221 4.2221 14.1080 14.1080 15.3725 15.3725 15.7455 15.7455 16.8949 16.8949 18.8998 18.8998 21.3141 21.3141 22.0017 22.0017 22.3780 22.3780 k = 0.1765 0.1019-0.0000 ( 648 PWs) bands (ev): -53.9841 -53.9841 -25.8682 -25.8682 -24.8634 -24.8634 -24.7898 -24.7898 4.2791 4.2791 14.0374 14.0374 15.3886 15.3886 15.7859 15.7859 16.8208 16.8208 18.8921 18.8921 21.4143 21.4143 21.9245 21.9245 22.3197 22.3197 k = 0.1838 0.1061-0.0000 ( 648 PWs) bands (ev): -53.9828 -53.9828 -25.8719 -25.8719 -24.8696 -24.8696 -24.7901 -24.7901 4.3382 4.3382 13.9649 13.9649 15.4047 15.4047 15.8278 15.8278 16.7483 16.7483 18.8843 18.8843 21.5137 21.5137 21.8473 21.8473 22.2603 22.2603 k = 0.1912 0.1104-0.0000 ( 648 PWs) bands (ev): -53.9814 -53.9814 -25.8756 -25.8756 -24.8759 -24.8759 -24.7903 -24.7903 4.3992 4.3992 13.8908 13.8908 15.4207 15.4207 15.8710 15.8710 16.6771 16.6771 18.8764 18.8764 21.6119 21.6119 21.7706 21.7706 22.1998 22.1998 k = 0.1985 0.1146-0.0000 ( 648 PWs) bands (ev): -53.9800 -53.9800 -25.8794 -25.8794 -24.8822 -24.8822 -24.7905 -24.7905 4.4622 4.4622 13.8151 13.8151 15.4363 15.4363 15.9154 15.9154 16.6075 16.6075 18.8683 18.8683 21.6911 21.6911 21.7124 21.7124 22.1384 22.1384 k = 0.2059 0.1189-0.0000 ( 648 PWs) bands (ev): -53.9785 -53.9785 -25.8833 -25.8833 -24.8886 -24.8886 -24.7907 -24.7907 4.5270 4.5270 13.7381 13.7381 15.4514 15.4514 15.9611 15.9611 16.5393 16.5393 18.8601 18.8601 21.6182 21.6182 21.8060 21.8060 22.0763 22.0763 k = 0.2132 0.1231-0.0000 ( 648 PWs) bands (ev): -53.9771 -53.9771 -25.8874 -25.8874 -24.8950 -24.8950 -24.7909 -24.7909 4.5935 4.5935 13.6598 13.6598 15.4659 15.4659 16.0080 16.0080 16.4727 16.4727 18.8518 18.8518 21.5441 21.5441 21.9002 21.9002 22.0140 22.0140 k = 0.2206 0.1274-0.0000 ( 652 PWs) bands (ev): -53.9756 -53.9756 -25.8915 -25.8915 -24.9016 -24.9016 -24.7912 -24.7912 4.6618 4.6618 13.5804 13.5804 15.4795 15.4795 16.0560 16.0560 16.4074 16.4074 18.8435 18.8435 21.4712 21.4712 21.9456 21.9456 21.9986 21.9986 k = 0.2279 0.1316-0.0000 ( 652 PWs) bands (ev): -53.9741 -53.9741 -25.8957 -25.8957 -24.9081 -24.9081 -24.7914 -24.7914 4.7317 4.7317 13.4999 13.4999 15.4923 15.4923 16.1051 16.1051 16.3439 16.3439 18.8350 18.8350 21.3999 21.3999 21.8836 21.8836 22.0887 22.0887 k = 0.2353 0.1358-0.0000 ( 652 PWs) bands (ev): -53.9726 -53.9726 -25.8999 -25.8999 -24.9145 -24.9145 -24.7915 -24.7915 4.8032 4.8032 13.4185 13.4185 15.5041 15.5041 16.1550 16.1550 16.2821 16.2821 18.8266 18.8266 21.3306 21.3306 21.8191 21.8191 22.1794 22.1794 k = 0.2426 0.1401-0.0000 ( 656 PWs) bands (ev): -53.9712 -53.9712 -25.9043 -25.9043 -24.9211 -24.9211 -24.7918 -24.7918 4.8763 4.8763 13.3363 13.3363 15.5146 15.5146 16.2029 16.2029 16.2246 16.2246 18.8180 18.8180 21.2634 21.2634 21.7539 21.7539 22.2689 22.2689 k = 0.2500 0.1443-0.0000 ( 656 PWs) bands (ev): -53.9697 -53.9697 -25.9087 -25.9087 -24.9275 -24.9275 -24.7919 -24.7919 4.9507 4.9507 13.2534 13.2534 15.5239 15.5239 16.1613 16.1613 16.2593 16.2593 18.8095 18.8095 21.1985 21.1985 21.6884 21.6884 22.3568 22.3568 k = 0.2574 0.1486-0.0000 ( 656 PWs) bands (ev): -53.9682 -53.9682 -25.9131 -25.9131 -24.9339 -24.9339 -24.7921 -24.7921 5.0265 5.0265 13.1698 13.1698 15.5318 15.5318 16.1043 16.1043 16.3118 16.3118 18.8010 18.8010 21.1363 21.1363 21.6226 21.6226 22.4430 22.4430 k = 0.2647 0.1528-0.0000 ( 652 PWs) bands (ev): -53.9666 -53.9666 -25.9174 -25.9174 -24.9401 -24.9401 -24.7922 -24.7922 5.1035 5.1035 13.0858 13.0858 15.5383 15.5383 16.0488 16.0488 16.3654 16.3654 18.7926 18.7926 21.0767 21.0767 21.5567 21.5567 22.5276 22.5276 k = 0.2721 0.1571-0.0000 ( 648 PWs) bands (ev): -53.9651 -53.9651 -25.9218 -25.9218 -24.9464 -24.9464 -24.7923 -24.7923 5.1817 5.1817 13.0013 13.0013 15.5432 15.5432 15.9948 15.9948 16.4198 16.4198 18.7843 18.7843 21.0202 21.0202 21.4907 21.4907 22.6103 22.6103 k = 0.2794 0.1613-0.0000 ( 648 PWs) bands (ev): -53.9636 -53.9636 -25.9263 -25.9263 -24.9525 -24.9525 -24.7924 -24.7924 5.2610 5.2610 12.9165 12.9165 15.5465 15.5465 15.9422 15.9422 16.4748 16.4748 18.7759 18.7759 20.9667 20.9667 21.4246 21.4246 22.6911 22.6911 k = 0.2868 0.1656-0.0000 ( 648 PWs) bands (ev): -53.9622 -53.9622 -25.9308 -25.9308 -24.9586 -24.9586 -24.7926 -24.7926 5.3411 5.3411 12.8314 12.8314 15.5481 15.5481 15.8914 15.8914 16.5303 16.5303 18.7677 18.7677 20.9164 20.9164 21.3586 21.3586 22.7699 22.7699 k = 0.2941 0.1698-0.0000 ( 648 PWs) bands (ev): -53.9607 -53.9607 -25.9352 -25.9352 -24.9646 -24.9646 -24.7927 -24.7927 5.4221 5.4221 12.7461 12.7461 15.5480 15.5480 15.8422 15.8422 16.5863 16.5863 18.7595 18.7595 20.8693 20.8693 21.2928 21.2928 22.8466 22.8466 k = 0.3015 0.1741-0.0000 ( 644 PWs) bands (ev): -53.9592 -53.9592 -25.9396 -25.9396 -24.9704 -24.9704 -24.7927 -24.7927 5.5039 5.5039 12.6607 12.6607 15.5462 15.5462 15.7947 15.7947 16.6429 16.6429 18.7515 18.7515 20.8255 20.8255 21.2273 21.2273 22.9213 22.9213 k = 0.3088 0.1783-0.0000 ( 650 PWs) bands (ev): -53.9579 -53.9579 -25.9441 -25.9441 -24.9763 -24.9763 -24.7929 -24.7929 5.5861 5.5861 12.5754 12.5754 15.5427 15.5427 15.7489 15.7489 16.6995 16.6995 18.7436 18.7436 20.7851 20.7851 21.1619 21.1619 22.9937 22.9937 k = 0.3162 0.1825-0.0000 ( 650 PWs) bands (ev): -53.9565 -53.9565 -25.9485 -25.9485 -24.9819 -24.9819 -24.7930 -24.7930 5.6689 5.6689 12.4902 12.4902 15.5376 15.5376 15.7047 15.7047 16.7565 16.7565 18.7358 18.7358 20.7480 20.7480 21.0970 21.0970 23.0639 23.0639 k = 0.3235 0.1868-0.0000 ( 654 PWs) bands (ev): -53.9551 -53.9551 -25.9529 -25.9529 -24.9874 -24.9874 -24.7931 -24.7931 5.7519 5.7519 12.4052 12.4052 15.5309 15.5309 15.6622 15.6622 16.8136 16.8136 18.7281 18.7281 20.7143 20.7143 21.0326 21.0326 23.1317 23.1317 k = 0.3309 0.1910-0.0000 ( 654 PWs) bands (ev): -53.9538 -53.9538 -25.9572 -25.9572 -24.9927 -24.9927 -24.7932 -24.7932 5.8350 5.8350 12.3207 12.3207 15.5227 15.5227 15.6215 15.6215 16.8707 16.8707 18.7207 18.7207 20.6838 20.6838 20.9688 20.9688 23.1971 23.1971 k = 0.3382 0.1953-0.0000 ( 654 PWs) bands (ev): -53.9525 -53.9525 -25.9613 -25.9613 -24.9978 -24.9978 -24.7932 -24.7932 5.9182 5.9182 12.2366 12.2366 15.5130 15.5130 15.5826 15.5826 16.9278 16.9278 18.7135 18.7135 20.6564 20.6564 20.9058 20.9058 23.2602 23.2602 k = 0.3456 0.1995-0.0000 ( 654 PWs) bands (ev): -53.9512 -53.9512 -25.9654 -25.9654 -25.0027 -25.0027 -24.7933 -24.7933 6.0010 6.0010 12.1532 12.1532 15.5017 15.5017 15.5457 15.5457 16.9846 16.9846 18.7065 18.7065 20.6321 20.6321 20.8436 20.8436 23.3207 23.3207 k = 0.3529 0.2038-0.0000 ( 654 PWs) bands (ev): -53.9500 -53.9500 -25.9694 -25.9694 -25.0075 -25.0075 -24.7933 -24.7933 6.0835 6.0835 12.0706 12.0706 15.4881 15.4881 15.5118 15.5118 17.0410 17.0410 18.6997 18.6997 20.6105 20.6105 20.7825 20.7825 23.3787 23.3787 k = 0.3603 0.2080-0.0000 ( 652 PWs) bands (ev): -53.9488 -53.9488 -25.9732 -25.9732 -25.0120 -25.0120 -24.7934 -24.7934 6.1653 6.1653 11.9890 11.9890 15.4678 15.4678 15.4854 15.4854 17.0970 17.0970 18.6932 18.6932 20.5914 20.5914 20.7228 20.7228 23.4341 23.4341 k = 0.3676 0.2123-0.0000 ( 652 PWs) bands (ev): -53.9477 -53.9477 -25.9770 -25.9770 -25.0164 -25.0164 -24.7934 -24.7934 6.2462 6.2462 11.9086 11.9086 15.4391 15.4391 15.4683 15.4683 17.1524 17.1524 18.6869 18.6869 20.5737 20.5737 20.6652 20.6652 23.4869 23.4869 k = 0.3750 0.2165-0.0000 ( 652 PWs) bands (ev): -53.9466 -53.9466 -25.9806 -25.9806 -25.0206 -25.0206 -24.7934 -24.7934 6.3260 6.3260 11.8295 11.8295 15.4094 15.4094 15.4532 15.4532 17.2070 17.2070 18.6809 18.6809 20.5550 20.5550 20.6126 20.6126 23.5370 23.5370 k = 0.3824 0.2208-0.0000 ( 650 PWs) bands (ev): -53.9455 -53.9455 -25.9841 -25.9841 -25.0245 -25.0245 -24.7933 -24.7933 6.4044 6.4044 11.7520 11.7520 15.3810 15.3810 15.4383 15.4383 17.2605 17.2605 18.6752 18.6752 20.5251 20.5251 20.5745 20.5745 23.5844 23.5844 k = 0.3897 0.2250-0.0000 ( 650 PWs) bands (ev): -53.9445 -53.9445 -25.9874 -25.9874 -25.0283 -25.0283 -24.7933 -24.7933 6.4810 6.4810 11.6765 11.6765 15.3541 15.3541 15.4233 15.4233 17.3130 17.3130 18.6697 18.6697 20.4792 20.4792 20.5563 20.5563 23.6291 23.6291 k = 0.3971 0.2292-0.0000 ( 648 PWs) bands (ev): -53.9436 -53.9436 -25.9905 -25.9905 -25.0318 -25.0318 -24.7933 -24.7933 6.5556 6.5556 11.6031 11.6031 15.3289 15.3289 15.4084 15.4084 17.3640 17.3640 18.6646 18.6646 20.4285 20.4285 20.5463 20.5463 23.6710 23.6710 k = 0.4044 0.2335-0.0000 ( 650 PWs) bands (ev): -53.9427 -53.9427 -25.9936 -25.9936 -25.0351 -25.0351 -24.7933 -24.7933 6.6278 6.6278 11.5321 11.5321 15.3052 15.3052 15.3936 15.3936 17.4135 17.4135 18.6597 18.6597 20.3780 20.3780 20.5397 20.5397 23.7101 23.7101 k = 0.4118 0.2377-0.0000 ( 650 PWs) bands (ev): -53.9419 -53.9419 -25.9964 -25.9964 -25.0382 -25.0382 -24.7933 -24.7933 6.6972 6.6972 11.4640 11.4640 15.2833 15.2833 15.3791 15.3791 17.4612 17.4612 18.6552 18.6552 20.3290 20.3290 20.5352 20.5352 23.7464 23.7464 k = 0.4191 0.2420-0.0000 ( 650 PWs) bands (ev): -53.9411 -53.9411 -25.9990 -25.9990 -25.0410 -25.0410 -24.7933 -24.7933 6.7635 6.7635 11.3990 11.3990 15.2631 15.2631 15.3650 15.3650 17.5067 17.5067 18.6510 18.6510 20.2821 20.2821 20.5322 20.5322 23.7798 23.7798 k = 0.4265 0.2462-0.0000 ( 650 PWs) bands (ev): -53.9404 -53.9404 -26.0014 -26.0014 -25.0436 -25.0436 -24.7933 -24.7933 6.8262 6.8262 11.3377 11.3377 15.2447 15.2447 15.3517 15.3517 17.5498 17.5498 18.6472 18.6472 20.2376 20.2376 20.5304 20.5304 23.8104 23.8104 k = 0.4338 0.2505-0.0000 ( 650 PWs) bands (ev): -53.9398 -53.9398 -26.0036 -26.0036 -25.0460 -25.0460 -24.7933 -24.7933 6.8848 6.8848 11.2803 11.2803 15.2280 15.2280 15.3391 15.3391 17.5903 17.5903 18.6436 18.6436 20.1960 20.1960 20.5295 20.5295 23.8382 23.8382 k = 0.4412 0.2547-0.0000 ( 650 PWs) bands (ev): -53.9392 -53.9392 -26.0056 -26.0056 -25.0481 -25.0481 -24.7933 -24.7933 6.9390 6.9390 11.2274 11.2274 15.2130 15.2130 15.3274 15.3274 17.6277 17.6277 18.6405 18.6405 20.1575 20.1575 20.5293 20.5293 23.8630 23.8630 k = 0.4485 0.2590-0.0000 ( 650 PWs) bands (ev): -53.9387 -53.9387 -26.0074 -26.0074 -25.0500 -25.0500 -24.7933 -24.7933 6.9883 6.9883 11.1793 11.1793 15.1998 15.1998 15.3168 15.3168 17.6618 17.6618 18.6377 18.6377 20.1225 20.1225 20.5295 20.5295 23.8849 23.8849 k = 0.4559 0.2632-0.0000 ( 654 PWs) bands (ev): -53.9383 -53.9383 -26.0090 -26.0090 -25.0517 -25.0517 -24.7933 -24.7933 7.0320 7.0320 11.1364 11.1364 15.1882 15.1882 15.3073 15.3073 17.6923 17.6923 18.6352 18.6352 20.0913 20.0913 20.5300 20.5300 23.9039 23.9039 k = 0.4632 0.2674-0.0000 ( 654 PWs) bands (ev): -53.9379 -53.9379 -26.0103 -26.0103 -25.0531 -25.0531 -24.7933 -24.7933 7.0700 7.0700 11.0993 11.0993 15.1786 15.1786 15.2991 15.2991 17.7187 17.7187 18.6331 18.6331 20.0643 20.0643 20.5308 20.5308 23.9200 23.9200 k = 0.4706 0.2717-0.0000 ( 658 PWs) bands (ev): -53.9376 -53.9376 -26.0115 -26.0115 -25.0543 -25.0543 -24.7933 -24.7933 7.1018 7.1018 11.0683 11.0683 15.1706 15.1706 15.2923 15.2923 17.7408 17.7408 18.6314 18.6314 20.0416 20.0416 20.5314 20.5314 23.9332 23.9332 k = 0.4779 0.2759-0.0000 ( 658 PWs) bands (ev): -53.9374 -53.9374 -26.0123 -26.0123 -25.0552 -25.0552 -24.7933 -24.7933 7.1269 7.1269 11.0438 11.0438 15.1644 15.1644 15.2870 15.2870 17.7583 17.7583 18.6301 18.6301 20.0236 20.0236 20.5321 20.5321 23.9435 23.9435 k = 0.4853 0.2802-0.0000 ( 660 PWs) bands (ev): -53.9372 -53.9372 -26.0130 -26.0130 -25.0558 -25.0558 -24.7933 -24.7933 7.1450 7.1450 11.0260 11.0260 15.1600 15.1600 15.2831 15.2831 17.7710 17.7710 18.6291 18.6291 20.0106 20.0106 20.5327 20.5327 23.9508 23.9508 k = 0.4926 0.2844-0.0000 ( 660 PWs) bands (ev): -53.9371 -53.9371 -26.0133 -26.0133 -25.0562 -25.0562 -24.7933 -24.7933 7.1560 7.1560 11.0153 11.0153 15.1574 15.1574 15.2807 15.2807 17.7787 17.7787 18.6286 18.6286 20.0027 20.0027 20.5330 20.5330 23.9552 23.9552 k = 0.5000 0.2887-0.0000 ( 660 PWs) bands (ev): -53.9371 -53.9371 -26.0134 -26.0134 -25.0563 -25.0563 -24.7933 -24.7933 7.1597 7.1597 11.0117 11.0117 15.1565 15.1565 15.2799 15.2799 17.7813 17.7813 18.6284 18.6284 20.0001 20.0001 20.5332 20.5332 23.9567 23.9567 k = 0.5000 0.2887-0.0000 ( 660 PWs) bands (ev): -53.9371 -53.9371 -26.0134 -26.0134 -25.0563 -25.0563 -24.7933 -24.7933 7.1597 7.1597 11.0117 11.0117 15.1565 15.1565 15.2799 15.2799 17.7813 17.7813 18.6284 18.6284 20.0001 20.0001 20.5332 20.5332 23.9567 23.9567 k = 0.4957 0.2961-0.0000 ( 660 PWs) bands (ev): -53.9371 -53.9371 -26.0139 -26.0130 -25.0569 -25.0558 -24.7935 -24.7933 7.1599 7.1609 11.0126 11.0130 15.1564 15.1571 15.2776 15.2783 17.7807 17.7826 18.6262 18.6277 19.9984 19.9990 20.5314 20.5333 23.9575 23.9588 k = 0.4915 0.3035-0.0000 ( 660 PWs) bands (ev): -53.9370 -53.9370 -26.0143 -26.0126 -25.0576 -25.0554 -24.7937 -24.7934 7.1614 7.1634 11.0158 11.0166 15.1569 15.1582 15.2713 15.2727 17.7807 17.7845 18.6213 18.6242 19.9941 19.9952 20.5282 20.5320 23.9610 23.9636 k = 0.4872 0.3109-0.0000 ( 658 PWs) bands (ev): -53.9370 -53.9370 -26.0147 -26.0121 -25.0583 -25.0549 -24.7941 -24.7936 7.1643 7.1672 11.0212 11.0225 15.1579 15.1598 15.2611 15.2632 17.7814 17.7871 18.6135 18.6179 19.9872 19.9888 20.5234 20.5290 23.9673 23.9713 k = 0.4829 0.3183-0.0000 ( 658 PWs) bands (ev): -53.9369 -53.9369 -26.0151 -26.0116 -25.0591 -25.0546 -24.7946 -24.7939 7.1685 7.1724 11.0289 11.0305 15.1593 15.1619 15.2469 15.2497 17.7828 17.7904 18.6031 18.6089 19.9777 19.9798 20.5171 20.5246 23.9764 23.9816 k = 0.4786 0.3257-0.0000 ( 658 PWs) bands (ev): -53.9368 -53.9368 -26.0155 -26.0112 -25.0600 -25.0544 -24.7952 -24.7943 7.1740 7.1789 11.0388 11.0408 15.1611 15.1644 15.2287 15.2321 17.7850 17.7944 18.5900 18.5972 19.9657 19.9683 20.5093 20.5185 23.9880 23.9945 k = 0.4744 0.3331-0.0000 ( 658 PWs) bands (ev): -53.9366 -53.9366 -26.0159 -26.0107 -25.0609 -25.0542 -24.7959 -24.7948 7.1808 7.1867 11.0509 11.0534 15.1632 15.1673 15.2067 15.2106 17.7881 17.7993 18.5744 18.5830 19.9514 19.9546 20.4999 20.5109 24.0022 24.0099 k = 0.4701 0.3405-0.0000 ( 658 PWs) bands (ev): -53.9365 -53.9365 -26.0163 -26.0103 -25.0620 -25.0541 -24.7967 -24.7954 7.1888 7.1957 11.0653 11.0682 15.1640 15.1697 15.1823 15.1859 17.7922 17.8052 18.5565 18.5664 19.9350 19.9387 20.4890 20.5018 24.0188 24.0276 k = 0.4658 0.3479-0.0000 ( 658 PWs) bands (ev): -53.9363 -53.9363 -26.0166 -26.0098 -25.0630 -25.0540 -24.7975 -24.7961 7.1981 7.2060 11.0819 11.0852 15.1461 15.1529 15.1728 15.1767 17.7974 17.8122 18.5363 18.5476 19.9166 19.9209 20.4766 20.4911 24.0376 24.0476 k = 0.4615 0.3553-0.0000 ( 658 PWs) bands (ev): -53.9361 -53.9361 -26.0170 -26.0094 -25.0642 -25.0541 -24.7985 -24.7969 7.2086 7.2174 11.1008 11.1044 15.1125 15.1193 15.1754 15.1805 17.8038 17.8203 18.5141 18.5267 19.8966 19.9014 20.4627 20.4789 24.0584 24.0696 k = 0.4573 0.3627-0.0000 ( 658 PWs) bands (ev): -53.9359 -53.9359 -26.0174 -26.0089 -25.0654 -25.0542 -24.7996 -24.7977 7.2202 7.2300 11.1219 11.1259 15.0737 15.0810 15.1793 15.1852 17.8115 17.8297 18.4900 18.5038 19.8751 19.8804 20.4473 20.4651 24.0812 24.0934 k = 0.4530 0.3701-0.0000 ( 658 PWs) bands (ev): -53.9357 -53.9357 -26.0177 -26.0085 -25.0666 -25.0543 -24.8007 -24.7986 7.2329 7.2436 11.1452 11.1495 15.0305 15.0384 15.1838 15.1903 17.8206 17.8405 18.4642 18.4793 19.8524 19.8581 20.4304 20.4498 24.1057 24.1189 k = 0.4487 0.3775-0.0000 ( 654 PWs) bands (ev): -53.9354 -53.9354 -26.0180 -26.0080 -25.0679 -25.0545 -24.8019 -24.7996 7.2467 7.2583 11.1708 11.1755 14.9831 14.9915 15.1887 15.1959 17.8313 17.8528 18.4370 18.4532 19.8287 19.8349 20.4122 20.4332 24.1316 24.1459 k = 0.4444 0.3849-0.0000 ( 650 PWs) bands (ev): -53.9352 -53.9352 -26.0183 -26.0075 -25.0692 -25.0547 -24.8031 -24.8006 7.2615 7.2740 11.1985 11.2036 14.9317 14.9406 15.1939 15.2017 17.8436 17.8667 18.4085 18.4259 19.8042 19.8108 20.3924 20.4151 24.1589 24.1742 k = 0.4402 0.3923-0.0000 ( 654 PWs) bands (ev): -53.9349 -53.9349 -26.0188 -26.0072 -25.0707 -25.0551 -24.8044 -24.8016 7.2772 7.2906 11.2284 11.2338 14.8760 14.8854 15.1993 15.2078 17.8574 17.8821 18.3789 18.3974 19.7789 19.7859 20.3711 20.3954 24.1873 24.2035 k = 0.4359 0.3997-0.0000 ( 658 PWs) bands (ev): -53.9346 -53.9346 -26.0192 -26.0069 -25.0722 -25.0556 -24.8058 -24.8028 7.2937 7.3080 11.2605 11.2662 14.8164 14.8262 15.2049 15.2141 17.8730 17.8993 18.3483 18.3678 19.7534 19.7607 20.3485 20.3744 24.2166 24.2336 k = 0.4316 0.4071-0.0000 ( 658 PWs) bands (ev): -53.9343 -53.9343 -26.0196 -26.0065 -25.0738 -25.0561 -24.8071 -24.8039 7.3111 7.3262 11.2948 11.3008 14.7528 14.7632 15.2108 15.2206 17.8903 17.9182 18.3173 18.3378 19.7278 19.7354 20.3245 20.3521 24.2465 24.2643 k = 0.4274 0.4145-0.0000 ( 658 PWs) bands (ev): -53.9340 -53.9340 -26.0199 -26.0062 -25.0753 -25.0566 -24.8085 -24.8050 7.3291 7.3452 11.3311 11.3375 14.6856 14.6965 15.2168 15.2272 17.9094 17.9388 18.2859 18.3074 19.7022 19.7100 20.2993 20.3285 24.2769 24.2955 k = 0.4231 0.4219-0.0000 ( 658 PWs) bands (ev): -53.9337 -53.9337 -26.0203 -26.0058 -25.0769 -25.0572 -24.8098 -24.8061 7.3478 7.3647 11.3697 11.3763 14.6149 14.6262 15.2228 15.2338 17.9300 17.9612 18.2544 18.2767 19.6768 19.6848 20.2728 20.3037 24.3076 24.3270 k = 0.4188 0.4293-0.0000 ( 658 PWs) bands (ev): -53.9334 -53.9334 -26.0207 -26.0056 -25.0785 -25.0579 -24.8112 -24.8072 7.3670 7.3847 11.4103 11.4171 14.5409 14.5526 15.2289 15.2405 17.9523 17.9852 18.2230 18.2460 19.6518 19.6599 20.2452 20.2779 24.3384 24.3584 k = 0.4145 0.4367-0.0000 ( 654 PWs) bands (ev): -53.9331 -53.9331 -26.0210 -26.0052 -25.0801 -25.0585 -24.8124 -24.8082 7.3867 7.4052 11.4529 11.4600 14.4637 14.4759 15.2350 15.2473 17.9760 18.0109 18.1922 18.2156 19.6273 19.6355 20.2165 20.2510 24.3690 24.3897 k = 0.4103 0.4441-0.0000 ( 650 PWs) bands (ev): -53.9327 -53.9327 -26.0213 -26.0049 -25.0817 -25.0592 -24.8137 -24.8093 7.4067 7.4260 11.4976 11.5049 14.3838 14.3964 15.2410 15.2539 18.0009 18.0382 18.1621 18.1855 19.6036 19.6118 20.1869 20.2232 24.3993 24.4206 k = 0.4060 0.4515-0.0000 ( 646 PWs) bands (ev): -53.9324 -53.9324 -26.0217 -26.0047 -25.0833 -25.0599 -24.8149 -24.8103 7.4270 7.4470 11.5443 11.5517 14.3015 14.3145 15.2469 15.2603 18.0261 18.0668 18.1337 18.1561 19.5806 19.5886 20.1563 20.1946 24.4291 24.4509 k = 0.4017 0.4589-0.0000 ( 650 PWs) bands (ev): -53.9321 -53.9321 -26.0221 -26.0046 -25.0850 -25.0608 -24.8162 -24.8113 7.4474 7.4681 11.5928 11.6004 14.2168 14.2302 15.2525 15.2665 18.0486 18.0963 18.1098 18.1276 19.5583 19.5662 20.1250 20.1653 24.4582 24.4805 k = 0.3974 0.4663-0.0000 ( 650 PWs) bands (ev): -53.9318 -53.9318 -26.0225 -26.0044 -25.0866 -25.0616 -24.8173 -24.8123 7.4677 7.4892 11.6431 11.6509 14.1302 14.1441 15.2580 15.2726 18.0536 18.0981 18.1057 18.1291 19.5370 19.5447 20.0930 20.1354 24.4865 24.5093 k = 0.3932 0.4737-0.0000 ( 648 PWs) bands (ev): -53.9314 -53.9314 -26.0229 -26.0043 -25.0882 -25.0624 -24.8184 -24.8132 7.4880 7.5101 11.6953 11.7031 14.0422 14.0565 15.2632 15.2783 18.0352 18.0718 18.1271 18.1607 19.5168 19.5242 20.0605 20.1052 24.5137 24.5370 k = 0.3889 0.4811-0.0000 ( 654 PWs) bands (ev): -53.9312 -53.9312 -26.0233 -26.0043 -25.0898 -25.0633 -24.8196 -24.8141 7.5080 7.5307 11.7490 11.7569 13.9529 13.9677 15.2681 15.2837 18.0114 18.0463 18.1555 18.1934 19.4976 19.5047 20.0278 20.0748 24.5398 24.5635 k = 0.3846 0.4885-0.0000 ( 650 PWs) bands (ev): -53.9309 -53.9308 -26.0237 -26.0042 -25.0913 -25.0641 -24.8205 -24.8148 7.5277 7.5510 11.8042 11.8121 13.8630 13.8782 15.2728 15.2889 17.9878 18.0222 18.1859 18.2268 19.4796 19.4862 19.9950 20.0446 24.5646 24.5887 k = 0.3803 0.4959-0.0000 ( 650 PWs) bands (ev): -53.9306 -53.9306 -26.0241 -26.0042 -25.0927 -25.0649 -24.8214 -24.8156 7.5468 7.5707 11.8608 11.8687 13.7728 13.7885 15.2770 15.2935 17.9652 17.9996 18.2170 18.2604 19.4627 19.4689 19.9625 20.0146 24.5880 24.6124 k = 0.3761 0.5033-0.0000 ( 650 PWs) bands (ev): -53.9303 -53.9303 -26.0244 -26.0042 -25.0941 -25.0658 -24.8222 -24.8163 7.5652 7.5896 11.9185 11.9262 13.6828 13.6991 15.2808 15.2978 17.9440 17.9787 18.2482 18.2939 19.4470 19.4527 19.9305 19.9853 24.6098 24.6345 k = 0.3718 0.5107-0.0000 ( 650 PWs) bands (ev): -53.9300 -53.9300 -26.0248 -26.0042 -25.0954 -25.0665 -24.8230 -24.8169 7.5828 7.6077 11.9770 11.9846 13.5937 13.6106 15.2841 15.3015 17.9246 17.9595 18.2789 18.3269 19.4325 19.4377 19.8993 19.9569 24.6300 24.6549 k = 0.3675 0.5181-0.0000 ( 650 PWs) bands (ev): -53.9298 -53.9298 -26.0251 -26.0042 -25.0966 -25.0673 -24.8237 -24.8174 7.5994 7.6247 12.0359 12.0433 13.5062 13.5236 15.2871 15.3048 17.9070 17.9422 18.3087 18.3590 19.4192 19.4238 19.8694 19.9298 24.6483 24.6735 k = 0.3632 0.5255-0.0000 ( 650 PWs) bands (ev): -53.9296 -53.9296 -26.0255 -26.0043 -25.0977 -25.0679 -24.8243 -24.8179 7.6148 7.6405 12.0948 12.1017 13.4210 13.4392 15.2896 15.3077 17.8912 17.9267 18.3371 18.3896 19.4071 19.4112 19.8413 19.9045 24.6648 24.6902 k = 0.3590 0.5329-0.0000 ( 650 PWs) bands (ev): -53.9294 -53.9294 -26.0258 -26.0043 -25.0987 -25.0686 -24.8248 -24.8183 7.6287 7.6549 12.1527 12.1592 13.3392 13.3582 15.2917 15.3100 17.8776 17.9133 18.3635 18.4183 19.3962 19.3998 19.8153 19.8813 24.6793 24.7049 k = 0.3547 0.5403-0.0000 ( 650 PWs) bands (ev): -53.9292 -53.9292 -26.0260 -26.0044 -25.0995 -25.0691 -24.8252 -24.8186 7.6411 7.6676 12.2088 12.2147 13.2623 13.2821 15.2934 15.3120 17.8659 17.9019 18.3875 18.4444 19.3865 19.3897 19.7921 19.8606 24.6918 24.7175 k = 0.3504 0.5477-0.0000 ( 646 PWs) bands (ev): -53.9291 -53.9291 -26.0262 -26.0044 -25.1002 -25.0695 -24.8255 -24.8188 7.6518 7.6785 12.2613 12.2664 13.1921 13.2129 15.2947 15.3135 17.8565 17.8927 18.4085 18.4673 19.3782 19.3810 19.7723 19.8431 24.7022 24.7280 k = 0.3462 0.5551-0.0000 ( 646 PWs) bands (ev): -53.9290 -53.9290 -26.0264 -26.0045 -25.1007 -25.0699 -24.8257 -24.8190 7.6604 7.6874 12.3078 12.3121 13.1312 13.1530 15.2956 15.3145 17.8491 17.8855 18.4257 18.4862 19.3712 19.3739 19.7562 19.8289 24.7103 24.7362 k = 0.3419 0.5625-0.0000 ( 644 PWs) bands (ev): -53.9289 -53.9289 -26.0265 -26.0045 -25.1011 -25.0701 -24.8259 -24.8192 7.6669 7.6940 12.3454 12.3487 13.0831 13.1060 15.2962 15.3153 17.8439 17.8804 18.4387 18.5005 19.3660 19.3686 19.7444 19.8185 24.7162 24.7422 k = 0.3376 0.5699-0.0000 ( 640 PWs) bands (ev): -53.9288 -53.9288 -26.0266 -26.0045 -25.1014 -25.0703 -24.8259 -24.8192 7.6709 7.6981 12.3701 12.3727 13.0520 13.0756 15.2966 15.3157 17.8409 17.8774 18.4467 18.5094 19.3628 19.3654 19.7372 19.8121 24.7197 24.7458 k = 0.3333 0.5774-0.0000 ( 642 PWs) bands (ev): -53.9288 -53.9288 -26.0266 -26.0045 -25.1015 -25.0704 -24.8259 -24.8192 7.6723 7.6995 12.3786 12.3810 13.0411 13.0650 15.2967 15.3158 17.8398 17.8763 18.4495 18.5124 19.3616 19.3642 19.7347 19.8099 24.7209 24.7470 k = 0.3333 0.5774-0.0000 ( 642 PWs) bands (ev): -53.9288 -53.9288 -26.0266 -26.0045 -25.1015 -25.0704 -24.8259 -24.8192 7.6723 7.6995 12.3786 12.3810 13.0411 13.0650 15.2967 15.3158 17.8398 17.8763 18.4495 18.5124 19.3616 19.3642 19.7347 19.8099 24.7209 24.7470 k = 0.3291 0.5699-0.0000 ( 638 PWs) bands (ev): -53.9288 -53.9288 -26.0265 -26.0045 -25.1013 -25.0702 -24.8259 -24.8191 7.6709 7.6980 12.3704 12.3730 13.0518 13.0754 15.2966 15.3157 17.8408 17.8773 18.4467 18.5094 19.3629 19.3655 19.7372 19.8122 24.7197 24.7458 k = 0.3248 0.5625-0.0000 ( 638 PWs) bands (ev): -53.9288 -53.9288 -26.0264 -26.0044 -25.1010 -25.0700 -24.8258 -24.8191 7.6663 7.6934 12.3475 12.3509 13.0817 13.1046 15.2965 15.3155 17.8439 17.8803 18.4380 18.4998 19.3668 19.3692 19.7445 19.8186 24.7161 24.7421 k = 0.3205 0.5551-0.0000 ( 642 PWs) bands (ev): -53.9290 -53.9290 -26.0263 -26.0043 -25.1006 -25.0697 -24.8257 -24.8190 7.6585 7.6854 12.3144 12.3185 13.1269 13.1489 15.2962 15.3152 17.8488 17.8851 18.4235 18.4838 19.3732 19.3755 19.7563 19.8291 24.7099 24.7359 k = 0.3162 0.5477-0.0000 ( 646 PWs) bands (ev): -53.9291 -53.9291 -26.0261 -26.0042 -25.1000 -25.0693 -24.8255 -24.8189 7.6472 7.6739 12.2753 12.2800 13.1834 13.2045 15.2961 15.3149 17.8556 17.8918 18.4034 18.4617 19.3826 19.3846 19.7723 19.8435 24.7013 24.7271 k = 0.3120 0.5403-0.0000 ( 646 PWs) bands (ev): -53.9293 -53.9293 -26.0257 -26.0040 -25.0992 -25.0687 -24.8253 -24.8187 7.6323 7.6587 12.2335 12.2389 13.2479 13.2682 15.2961 15.3148 17.8642 17.9003 18.3779 18.4339 19.3946 19.3962 19.7924 19.8616 24.6901 24.7159 k = 0.3077 0.5329-0.0000 ( 650 PWs) bands (ev): -53.9295 -53.9295 -26.0253 -26.0038 -25.0982 -25.0680 -24.8249 -24.8184 7.6136 7.6396 12.1916 12.1973 13.3181 13.3377 15.2964 15.3148 17.8745 17.9104 18.3474 18.4008 19.4090 19.4102 19.8159 19.8829 24.6764 24.7021 k = 0.3034 0.5255-0.0000 ( 654 PWs) bands (ev): -53.9298 -53.9298 -26.0247 -26.0035 -25.0970 -25.0671 -24.8247 -24.8182 7.5909 7.6165 12.1513 12.1572 13.3924 13.4114 15.2969 15.3152 17.8864 17.9222 18.3125 18.3632 19.4257 19.4265 19.8425 19.9071 24.6602 24.6857 k = 0.2991 0.5181-0.0000 ( 654 PWs) bands (ev): -53.9301 -53.9301 -26.0240 -26.0030 -25.0956 -25.0660 -24.8242 -24.8179 7.5643 7.5893 12.1136 12.1196 13.4697 13.4882 15.2980 15.3160 17.8999 17.9355 18.2736 18.3215 19.4447 19.4451 19.8717 19.9339 24.6414 24.6667 k = 0.2949 0.5107-0.0000 ( 654 PWs) bands (ev): -53.9305 -53.9305 -26.0232 -26.0025 -25.0939 -25.0648 -24.8237 -24.8175 7.5335 7.5579 12.0795 12.0854 13.5492 13.5673 15.2996 15.3173 17.9148 17.9502 18.2312 18.2763 19.4657 19.4658 19.9032 19.9630 24.6201 24.6452 k = 0.2906 0.5033-0.0000 ( 654 PWs) bands (ev): -53.9309 -53.9309 -26.0223 -26.0018 -25.0921 -25.0634 -24.8232 -24.8171 7.4985 7.5223 12.0495 12.0553 13.6303 13.6480 15.3017 15.3192 17.9308 17.9663 18.1859 18.2281 19.4885 19.4887 19.9364 19.9938 24.5962 24.6211 k = 0.2863 0.4959-0.0000 ( 658 PWs) bands (ev): -53.9313 -53.9313 -26.0213 -26.0011 -25.0901 -25.0619 -24.8226 -24.8166 7.4594 7.4826 12.0240 12.0295 13.7125 13.7298 15.3046 15.3217 17.9478 17.9834 18.1380 18.1772 19.5130 19.5136 19.9709 20.0260 24.5697 24.5944 k = 0.2821 0.4885-0.0000 ( 658 PWs) bands (ev): -53.9318 -53.9318 -26.0200 -26.0002 -25.0879 -25.0601 -24.8220 -24.8161 7.4163 7.4387 12.0033 12.0085 13.7954 13.8125 15.3082 15.3251 17.9650 18.0015 18.0888 18.1244 19.5395 19.5404 20.0067 20.0597 24.5407 24.5651 k = 0.2778 0.4811-0.0000 ( 658 PWs) bands (ev): -53.9324 -53.9324 -26.0187 -25.9992 -25.0855 -25.0582 -24.8214 -24.8156 7.3691 7.3907 11.9876 11.9924 13.8788 13.8956 15.3127 15.3292 17.9787 18.0192 18.0420 18.0711 19.5677 19.5689 20.0434 20.0943 24.5091 24.5333 k = 0.2735 0.4737-0.0000 ( 658 PWs) bands (ev): -53.9329 -53.9329 -26.0172 -25.9981 -25.0828 -25.0562 -24.8207 -24.8150 7.3179 7.3387 11.9769 11.9812 13.9622 13.9788 15.3181 15.3344 17.9638 18.0068 18.0232 18.0471 19.5977 19.5992 20.0807 20.1297 24.4750 24.4989 k = 0.2692 0.4663-0.0000 ( 650 PWs) bands (ev): -53.9335 -53.9335 -26.0154 -25.9967 -25.0799 -25.0538 -24.8199 -24.8144 7.2631 7.2831 11.9712 11.9751 14.0455 14.0619 15.3247 15.3406 17.9149 17.9515 18.0377 18.0657 19.6294 19.6314 20.1186 20.1657 24.4384 24.4620 k = 0.2650 0.4589-0.0000 ( 650 PWs) bands (ev): -53.9342 -53.9342 -26.0136 -25.9954 -25.0768 -25.0514 -24.8192 -24.8138 7.2046 7.2237 11.9705 11.9739 14.1284 14.1446 15.3323 15.3479 17.8592 17.8927 18.0583 18.0873 19.6628 19.6651 20.1567 20.2022 24.3993 24.4226 k = 0.2607 0.4515-0.0000 ( 652 PWs) bands (ev): -53.9350 -53.9350 -26.0116 -25.9939 -25.0737 -25.0488 -24.8184 -24.8132 7.1426 7.1609 11.9747 11.9776 14.2105 14.2265 15.3410 15.3562 17.8013 17.8325 18.0807 18.1099 19.6978 19.7006 20.1950 20.2389 24.3577 24.3807 k = 0.2564 0.4441-0.0000 ( 652 PWs) bands (ev): -53.9358 -53.9358 -26.0095 -25.9922 -25.0702 -25.0460 -24.8177 -24.8127 7.0775 7.0949 11.9838 11.9861 14.2918 14.3076 15.3509 15.3658 17.7422 17.7715 18.1041 18.1331 19.7345 19.7377 20.2336 20.2762 24.3136 24.3363 k = 0.2521 0.4367-0.0000 ( 652 PWs) bands (ev): -53.9366 -53.9366 -26.0072 -25.9904 -25.0667 -25.0431 -24.8170 -24.8121 7.0093 7.0259 11.9975 11.9993 14.3719 14.3876 15.3622 15.3767 17.6821 17.7098 18.1281 18.1569 19.7728 19.7766 20.2722 20.3136 24.2672 24.2894 k = 0.2479 0.4293-0.0000 ( 652 PWs) bands (ev): -53.9375 -53.9375 -26.0048 -25.9884 -25.0629 -25.0400 -24.8162 -24.8114 6.9384 6.9542 12.0156 12.0170 14.4507 14.4663 15.3748 15.3889 17.6214 17.6475 18.1527 18.1811 19.8127 19.8171 20.3110 20.3514 24.2183 24.2402 k = 0.2436 0.4219-0.0000 ( 652 PWs) bands (ev): -53.9384 -53.9384 -26.0022 -25.9863 -25.0590 -25.0368 -24.8154 -24.8108 6.8650 6.8800 12.0381 12.0390 14.5279 14.5433 15.3888 15.4026 17.5601 17.5848 18.1777 18.2057 19.8542 19.8592 20.3500 20.3894 24.1670 24.1886 k = 0.2393 0.4145-0.0000 ( 652 PWs) bands (ev): -53.9394 -53.9394 -25.9995 -25.9841 -25.0548 -25.0334 -24.8145 -24.8101 6.7893 6.8035 12.0647 12.0651 14.6032 14.6185 15.4043 15.4178 17.4984 17.5219 18.2030 18.2306 19.8972 19.9029 20.3893 20.4279 24.1134 24.1346 k = 0.2350 0.4071-0.0000 ( 652 PWs) bands (ev): -53.9404 -53.9404 -25.9966 -25.9817 -25.0506 -25.0298 -24.8137 -24.8095 6.7116 6.7250 12.0952 12.0952 14.6765 14.6916 15.4213 15.4345 17.4365 17.4588 18.2285 18.2556 19.9417 19.9482 20.4289 20.4668 24.0575 24.0783 k = 0.2308 0.3997-0.0000 ( 652 PWs) bands (ev): -53.9414 -53.9414 -25.9935 -25.9791 -25.0461 -25.0261 -24.8129 -24.8088 6.6322 6.6448 12.1290 12.1295 14.7475 14.7625 15.4399 15.4527 17.3745 17.3957 18.2541 18.2808 19.9877 19.9950 20.4690 20.5063 23.9994 24.0197 k = 0.2265 0.3923-0.0000 ( 652 PWs) bands (ev): -53.9425 -53.9425 -25.9903 -25.9764 -25.0415 -25.0222 -24.8120 -24.8081 6.5512 6.5631 12.1664 12.1673 14.8161 14.8309 15.4600 15.4725 17.3124 17.3325 18.2798 18.3060 20.0351 20.0434 20.5098 20.5466 23.9390 23.9589 k = 0.2222 0.3849-0.0000 ( 648 PWs) bands (ev): -53.9437 -53.9437 -25.9869 -25.9735 -25.0366 -25.0180 -24.8111 -24.8074 6.4689 6.4801 12.2072 12.2085 14.8819 14.8966 15.4819 15.4941 17.2504 17.2696 18.3056 18.3314 20.0840 20.0932 20.5513 20.5878 23.8764 23.8959 k = 0.2179 0.3775-0.0000 ( 652 PWs) bands (ev): -53.9449 -53.9449 -25.9835 -25.9706 -25.0317 -25.0139 -24.8103 -24.8067 6.3855 6.3960 12.2510 12.2527 14.9448 14.9594 15.5053 15.5172 17.1885 17.2067 18.3312 18.3564 20.1342 20.1444 20.5937 20.6299 23.8117 23.8308 k = 0.2137 0.3701-0.0000 ( 654 PWs) bands (ev): -53.9461 -53.9461 -25.9799 -25.9675 -25.0267 -25.0096 -24.8095 -24.8061 6.3012 6.3111 12.2979 12.2999 15.0046 15.0191 15.5305 15.5420 17.1268 17.1442 18.3566 18.3814 20.1857 20.1970 20.6371 20.6731 23.7448 23.7635 k = 0.2094 0.3627-0.0000 ( 652 PWs) bands (ev): -53.9474 -53.9474 -25.9761 -25.9643 -25.0214 -25.0050 -24.8087 -24.8054 6.2163 6.2255 12.3476 12.3499 15.0613 15.0756 15.5574 15.5686 17.0655 17.0820 18.3819 18.4062 20.2387 20.2510 20.6819 20.7178 23.6759 23.6942 k = 0.2051 0.3553-0.0000 ( 652 PWs) bands (ev): -53.9486 -53.9486 -25.9722 -25.9609 -25.0161 -25.0004 -24.8078 -24.8047 6.1308 6.1395 12.4000 12.4025 15.1145 15.1286 15.5861 15.5970 17.0045 17.0202 18.4070 18.4308 20.2929 20.3063 20.7279 20.7638 23.6050 23.6228 k = 0.2009 0.3479-0.0000 ( 656 PWs) bands (ev): -53.9500 -53.9500 -25.9683 -25.9575 -25.0106 -24.9957 -24.8070 -24.8041 6.0451 6.0531 12.4548 12.4575 15.1641 15.1781 15.6165 15.6271 16.9439 16.9589 18.4317 18.4550 20.3483 20.3629 20.7755 20.8114 23.5321 23.5495 k = 0.1966 0.3405-0.0000 ( 654 PWs) bands (ev): -53.9513 -53.9513 -25.9642 -25.9539 -25.0050 -24.9907 -24.8062 -24.8034 5.9592 5.9668 12.5119 12.5149 15.2102 15.2239 15.6487 15.6590 16.8839 16.8981 18.4562 18.4789 20.4051 20.4208 20.8248 20.8607 23.4573 23.4743 k = 0.1923 0.3331-0.0000 ( 656 PWs) bands (ev): -53.9527 -53.9527 -25.9601 -25.9503 -24.9992 -24.9857 -24.8054 -24.8028 5.8734 5.8804 12.5711 12.5743 15.2525 15.2660 15.6827 15.6927 16.8244 16.8379 18.4802 18.5025 20.4632 20.4799 20.8757 20.9116 23.3806 23.3971 k = 0.1880 0.3257-0.0000 ( 656 PWs) bands (ev): -53.9541 -53.9541 -25.9559 -25.9466 -24.9933 -24.9805 -24.8046 -24.8021 5.7877 5.7942 12.6324 12.6357 15.2910 15.3042 15.7185 15.7282 16.7655 16.7783 18.5039 18.5257 20.5226 20.5403 20.9284 20.9643 23.3022 23.3182 k = 0.1838 0.3183-0.0000 ( 656 PWs) bands (ev): -53.9556 -53.9556 -25.9515 -25.9427 -24.9874 -24.9752 -24.8038 -24.8015 5.7024 5.7085 12.6954 12.6989 15.3256 15.3386 15.7562 15.7656 16.7073 16.7195 18.5271 18.5484 20.5832 20.6018 20.9829 21.0188 23.2220 23.2376 k = 0.1795 0.3109-0.0000 ( 656 PWs) bands (ev): -53.9570 -53.9570 -25.9472 -25.9388 -24.9813 -24.9698 -24.8031 -24.8008 5.6175 5.6232 12.7602 12.7638 15.3564 15.3692 15.7957 15.8048 16.6498 16.6613 18.5499 18.5707 20.6451 20.6646 21.0393 21.0751 23.1401 23.1552 k = 0.1752 0.3035-0.0000 ( 652 PWs) bands (ev): -53.9585 -53.9585 -25.9427 -25.9348 -24.9751 -24.9642 -24.8022 -24.8001 5.5333 5.5385 12.8264 12.8301 15.3834 15.3958 15.8371 15.8459 16.5930 16.6039 18.5723 18.5926 20.7083 20.7286 21.0974 21.1332 23.0565 23.0713 k = 0.1709 0.2961-0.0000 ( 652 PWs) bands (ev): -53.9600 -53.9600 -25.9382 -25.9308 -24.9688 -24.9586 -24.8015 -24.7995 5.4497 5.4546 12.8941 12.8978 15.4066 15.4187 15.8802 15.8888 16.5370 16.5473 18.5941 18.6138 20.7727 20.7937 21.1574 21.1929 22.9714 22.9857 k = 0.1667 0.2887-0.0000 ( 652 PWs) bands (ev): -53.9615 -53.9615 -25.9337 -25.9268 -24.9624 -24.9529 -24.8007 -24.7989 5.3670 5.3715 12.9629 12.9668 15.4260 15.4378 15.9252 15.9336 16.4819 16.4916 18.6153 18.6345 20.8385 20.8600 21.2190 21.2543 22.8847 22.8986 k = 0.1624 0.2813-0.0000 ( 656 PWs) bands (ev): -53.9630 -53.9630 -25.9292 -25.9227 -24.9561 -24.9472 -24.8000 -24.7983 5.2852 5.2893 13.0329 13.0367 15.4418 15.4532 15.9720 15.9801 16.4276 16.4367 18.6359 18.6547 20.9054 20.9274 21.2822 21.3171 22.7966 22.8100 k = 0.1581 0.2739-0.0000 ( 656 PWs) bands (ev): -53.9646 -53.9646 -25.9247 -25.9186 -24.9496 -24.9413 -24.7993 -24.7977 5.2045 5.2083 13.1038 13.1077 15.4542 15.4651 16.0207 16.0285 16.3743 16.3828 18.6560 18.6742 20.9736 20.9959 21.3468 21.3813 22.7070 22.7200 k = 0.1538 0.2665-0.0000 ( 656 PWs) bands (ev): -53.9661 -53.9661 -25.9202 -25.9145 -24.9431 -24.9353 -24.7986 -24.7972 5.1249 5.1284 13.1755 13.1794 15.4632 15.4737 16.0711 16.0787 16.3219 16.3298 18.6755 18.6932 21.0430 21.0655 21.4128 21.4468 22.6161 22.6287 k = 0.1496 0.2591-0.0000 ( 655 PWs) bands (ev): -53.9676 -53.9676 -25.9156 -25.9104 -24.9365 -24.9293 -24.7979 -24.7966 5.0466 5.0497 13.2479 13.2517 15.4691 15.4792 16.1234 16.1306 16.2707 16.2780 18.6943 18.7116 21.1135 21.1362 21.4800 21.5134 22.5239 22.5361 k = 0.1453 0.2517-0.0000 ( 655 PWs) bands (ev): -53.9692 -53.9692 -25.9111 -25.9063 -24.9298 -24.9232 -24.7973 -24.7960 4.9695 4.9724 13.3208 13.3246 15.4720 15.4816 16.1768 16.1832 16.2216 16.2276 18.7126 18.7293 21.1852 21.2078 21.5482 21.5808 22.4305 22.4423 k = 0.1410 0.2443-0.0000 ( 655 PWs) bands (ev): -53.9707 -53.9707 -25.9067 -25.9022 -24.9232 -24.9171 -24.7966 -24.7955 4.8939 4.8965 13.3941 13.3978 15.4721 15.4812 16.1692 16.1757 16.2346 16.2417 18.7302 18.7465 21.2578 21.2803 21.6171 21.6489 22.3359 22.3474 k = 0.1368 0.2369-0.0000 ( 659 PWs) bands (ev): -53.9723 -53.9723 -25.9023 -25.8982 -24.9166 -24.9110 -24.7960 -24.7950 4.8197 4.8221 13.4675 13.4713 15.4696 15.4783 16.1212 16.1272 16.2917 16.2986 18.7473 18.7630 21.3313 21.3537 21.6866 21.7175 22.2402 22.2514 k = 0.1325 0.2295-0.0000 ( 659 PWs) bands (ev): -53.9738 -53.9738 -25.8980 -25.8942 -24.9100 -24.9049 -24.7954 -24.7945 4.7471 4.7493 13.5411 13.5447 15.4648 15.4730 16.0740 16.0793 16.3511 16.3577 18.7637 18.7789 21.4056 21.4277 21.7565 21.7863 22.1434 22.1544 k = 0.1282 0.2221-0.0000 ( 655 PWs) bands (ev): -53.9753 -53.9753 -25.8936 -25.8902 -24.9033 -24.8986 -24.7947 -24.7939 4.6762 4.6782 13.6146 13.6181 15.4580 15.4657 16.0277 16.0326 16.4125 16.4189 18.7795 18.7942 21.4806 21.5024 21.8267 21.8550 22.0458 22.0570 k = 0.1239 0.2147-0.0000 ( 651 PWs) bands (ev): -53.9768 -53.9768 -25.8893 -25.8862 -24.8967 -24.8924 -24.7941 -24.7934 4.6070 4.6088 13.6878 13.6913 15.4493 15.4565 15.9825 15.9869 16.4756 16.4818 18.7946 18.8089 21.5562 21.5776 21.8968 21.9184 21.9472 21.9638 k = 0.1197 0.2073-0.0000 ( 651 PWs) bands (ev): -53.9782 -53.9782 -25.8852 -25.8823 -24.8901 -24.8862 -24.7936 -24.7929 4.5395 4.5411 13.7606 13.7640 15.4390 15.4456 15.9384 15.9423 16.5404 16.5463 18.8092 18.8229 21.6322 21.6531 21.8477 21.8548 21.9668 21.9964 k = 0.1154 0.1999-0.0000 ( 651 PWs) bands (ev): -53.9797 -53.9797 -25.8812 -25.8786 -24.8836 -24.8801 -24.7930 -24.7924 4.4738 4.4753 13.8328 13.8361 15.4273 15.4334 15.8953 15.8988 16.6068 16.6125 18.8231 18.8363 21.7080 21.7278 21.7485 21.7556 22.0362 22.0637 k = 0.1111 0.1925-0.0000 ( 651 PWs) bands (ev): -53.9811 -53.9811 -25.8772 -25.8749 -24.8772 -24.8740 -24.7925 -24.7920 4.4100 4.4113 13.9043 13.9074 15.4144 15.4201 15.8534 15.8564 16.6749 16.6804 18.8364 18.8491 21.6460 21.6536 21.7854 21.8051 22.1050 22.1312 k = 0.1068 0.1850-0.0000 ( 651 PWs) bands (ev): -53.9825 -53.9825 -25.8733 -25.8713 -24.8708 -24.8680 -24.7920 -24.7916 4.3482 4.3493 13.9748 13.9779 15.4007 15.4059 15.8126 15.8153 16.7447 16.7500 18.8491 18.8613 21.5443 21.5517 21.8617 21.8809 22.1730 22.1979 k = 0.1026 0.1776-0.0000 ( 651 PWs) bands (ev): -53.9839 -53.9839 -25.8696 -25.8678 -24.8646 -24.8621 -24.7915 -24.7911 4.2884 4.2894 14.0443 14.0471 15.3863 15.3910 15.7731 15.7753 16.8161 16.8212 18.8612 18.8729 21.4419 21.4490 21.9380 21.9565 22.2399 22.2636 k = 0.0983 0.1702-0.0000 ( 651 PWs) bands (ev): -53.9852 -53.9852 -25.8660 -25.8643 -24.8584 -24.8562 -24.7911 -24.7907 4.2306 4.2315 14.1124 14.1151 15.3714 15.3757 15.7347 15.7366 16.8891 16.8940 18.8727 18.8839 21.3389 21.3457 22.0139 22.0318 22.3056 22.3281 k = 0.0940 0.1628-0.0000 ( 647 PWs) bands (ev): -53.9865 -53.9865 -25.8624 -25.8610 -24.8523 -24.8504 -24.7906 -24.7903 4.1749 4.1757 14.1790 14.1816 15.3565 15.3603 15.6976 15.6991 16.9637 16.9684 18.8836 18.8944 21.2354 21.2419 22.0893 22.1065 22.3698 22.3911 k = 0.0897 0.1554-0.0000 ( 651 PWs) bands (ev): -53.9878 -53.9878 -25.8591 -25.8579 -24.8465 -24.8449 -24.7902 -24.7900 4.1214 4.1220 14.2438 14.2463 15.3414 15.3448 15.6617 15.6630 17.0398 17.0442 18.8939 18.9042 21.1314 21.1376 22.1639 22.1803 22.4323 22.4525 k = 0.0855 0.1480-0.0000 ( 651 PWs) bands (ev): -53.9891 -53.9891 -25.8559 -25.8548 -24.8408 -24.8394 -24.7898 -24.7896 4.0700 4.0706 14.3068 14.3090 15.3265 15.3295 15.6272 15.6281 17.1174 17.1217 18.9037 18.9135 21.0270 21.0329 22.2376 22.2533 22.4931 22.5121 k = 0.0812 0.1406-0.0000 ( 647 PWs) bands (ev): -53.9902 -53.9902 -25.8527 -25.8518 -24.8352 -24.8340 -24.7893 -24.7891 4.0209 4.0214 14.3675 14.3696 15.3121 15.3148 15.5940 15.5947 17.1966 17.2007 18.9131 18.9224 20.9223 20.9279 22.3101 22.3251 22.5518 22.5697 k = 0.0769 0.1332-0.0000 ( 647 PWs) bands (ev): -53.9914 -53.9914 -25.8498 -25.8490 -24.8299 -24.8288 -24.7889 -24.7888 3.9740 3.9744 14.4258 14.4278 15.2983 15.3006 15.5622 15.5627 17.2772 17.2811 18.9218 18.9306 20.8174 20.8226 22.3812 22.3954 22.6084 22.6252 k = 0.0726 0.1258-0.0000 ( 647 PWs) bands (ev): -53.9925 -53.9925 -25.8470 -25.8463 -24.8247 -24.8239 -24.7885 -24.7884 3.9295 3.9298 14.4815 14.4832 15.2854 15.2873 15.5318 15.5321 17.3593 17.3629 18.9300 18.9383 20.7122 20.7171 22.4508 22.4642 22.6627 22.6784 k = 0.0684 0.1184-0.0000 ( 647 PWs) bands (ev): -53.9935 -53.9935 -25.8443 -25.8437 -24.8198 -24.8191 -24.7881 -24.7881 3.8873 3.8876 14.5342 14.5358 15.2735 15.2751 15.5029 15.5030 17.4427 17.4461 18.9376 18.9454 20.6068 20.6114 22.5184 22.5311 22.7146 22.7292 k = 0.0641 0.1110-0.0000 ( 647 PWs) bands (ev): -53.9945 -53.9945 -25.8418 -25.8413 -24.8151 -24.8146 -24.7878 -24.7877 3.8475 3.8477 14.5837 14.5851 15.2628 15.2641 15.4755 15.4755 17.5275 17.5307 18.9448 18.9521 20.5013 20.5056 22.5840 22.5959 22.7639 22.7774 k = 0.0598 0.1036-0.0000 ( 647 PWs) bands (ev): -53.9955 -53.9955 -25.8394 -25.8391 -24.8107 -24.8103 -24.7874 -24.7874 3.8101 3.8103 14.6297 14.6309 15.2537 15.2547 15.4495 15.4497 17.6135 17.6165 18.9514 18.9582 20.3958 20.3998 22.6472 22.6583 22.8105 22.8230 k = 0.0556 0.0962-0.0000 ( 647 PWs) bands (ev): -53.9963 -53.9963 -25.8372 -25.8369 -24.8066 -24.8062 -24.7870 -24.7870 3.7752 3.7753 14.6720 14.6730 15.2461 15.2469 15.4252 15.4255 17.7009 17.7037 18.9575 18.9639 20.2903 20.2939 22.7078 22.7181 22.8544 22.8658 k = 0.0513 0.0888-0.0000 ( 647 PWs) bands (ev): -53.9972 -53.9972 -25.8352 -25.8350 -24.8028 -24.8025 -24.7866 -24.7866 3.7427 3.7428 14.7103 14.7111 15.2404 15.2409 15.4026 15.4029 17.7895 17.7921 18.9632 18.9690 20.1848 20.1882 22.7655 22.7749 22.8954 22.9057 k = 0.0470 0.0814-0.0000 ( 647 PWs) bands (ev): -53.9979 -53.9979 -25.8333 -25.8331 -24.7993 -24.7991 -24.7861 -24.7861 3.7127 3.7128 14.7444 14.7451 15.2365 15.2368 15.3818 15.3821 17.8793 17.8817 18.9684 18.9737 20.0795 20.0825 22.8199 22.8286 22.9334 22.9428 k = 0.0427 0.0740-0.0000 ( 653 PWs) bands (ev): -53.9987 -53.9987 -25.8317 -25.8315 -24.7963 -24.7962 -24.7857 -24.7856 3.6853 3.6853 14.7740 14.7746 15.2345 15.2346 15.3626 15.3630 17.9702 17.9723 18.9729 18.9778 19.9742 19.9770 22.8709 22.8787 22.9684 22.9768 k = 0.0385 0.0666-0.0000 ( 651 PWs) bands (ev): -53.9993 -53.9993 -25.8301 -25.8300 -24.7937 -24.7937 -24.7849 -24.7848 3.6604 3.6604 14.7995 14.8000 15.2343 15.2343 15.3454 15.3458 18.0623 18.0642 18.9772 18.9816 19.8694 19.8719 22.9181 22.9250 23.0005 23.0078 k = 0.0342 0.0592-0.0000 ( 651 PWs) bands (ev): -53.9999 -53.9999 -25.8287 -25.8286 -24.7918 -24.7918 -24.7838 -24.7838 3.6380 3.6381 14.8208 14.8211 15.2355 15.2357 15.3302 15.3306 18.1554 18.1571 18.9810 18.9849 19.7648 19.7670 22.9611 22.9671 23.0295 23.0358 k = 0.0299 0.0518-0.0000 ( 651 PWs) bands (ev): -54.0004 -54.0004 -25.8275 -25.8274 -24.7904 -24.7904 -24.7826 -24.7825 3.6183 3.6183 14.8382 14.8384 15.2379 15.2381 15.3170 15.3174 18.2495 18.2509 18.9844 18.9878 19.6605 19.6625 22.9997 23.0048 23.0554 23.0607 k = 0.0256 0.0444-0.0000 ( 651 PWs) bands (ev): -54.0009 -54.0009 -25.8264 -25.8264 -24.7895 -24.7895 -24.7811 -24.7811 3.6011 3.6012 14.8519 14.8521 15.2409 15.2412 15.3061 15.3064 18.3444 18.3457 18.9873 18.9902 19.5568 19.5585 23.0336 23.0376 23.0783 23.0826 k = 0.0214 0.0370-0.0000 ( 651 PWs) bands (ev): -54.0012 -54.0012 -25.8255 -25.8255 -24.7889 -24.7889 -24.7798 -24.7797 3.5866 3.5866 14.8626 14.8627 15.2439 15.2441 15.2976 15.2978 18.4402 18.4413 18.9898 18.9922 19.4536 19.4550 23.0623 23.0653 23.0984 23.1014 k = 0.0171 0.0296-0.0000 ( 651 PWs) bands (ev): -54.0015 -54.0015 -25.8247 -25.8247 -24.7885 -24.7885 -24.7785 -24.7785 3.5747 3.5747 14.8706 14.8706 15.2461 15.2462 15.2916 15.2918 18.5367 18.5375 18.9918 18.9937 19.3513 19.3524 23.0857 23.0876 23.1155 23.1174 k = 0.0128 0.0222-0.0000 ( 651 PWs) bands (ev): -54.0018 -54.0018 -25.8242 -25.8242 -24.7882 -24.7882 -24.7775 -24.7775 3.5654 3.5654 14.8763 14.8763 15.2472 15.2473 15.2881 15.2882 18.6334 18.6340 18.9932 18.9947 19.2501 19.2510 23.1034 23.1044 23.1296 23.1305 k = 0.0085 0.0148-0.0000 ( 659 PWs) bands (ev): -54.0020 -54.0020 -25.8239 -25.8239 -24.7881 -24.7881 -24.7769 -24.7769 3.5588 3.5588 14.8800 14.8800 15.2473 15.2473 15.2863 15.2863 18.7296 18.7300 18.9938 18.9947 19.1511 19.1517 23.1156 23.1159 23.1401 23.1404 k = 0.0043 0.0074-0.0000 ( 659 PWs) bands (ev): -54.0021 -54.0021 -25.8236 -25.8236 -24.7881 -24.7881 -24.7765 -24.7765 3.5548 3.5548 14.8822 14.8822 15.2471 15.2471 15.2857 15.2857 18.8222 18.8223 18.9914 18.9918 19.0600 19.0603 23.1226 23.1227 23.1467 23.1467 k = 0.0000 0.0000 0.0000 ( 659 PWs) bands (ev): -54.0021 -54.0021 -25.8235 -25.8235 -24.7880 -24.7880 -24.7763 -24.7763 3.5535 3.5535 14.8829 14.8829 15.2470 15.2470 15.2856 15.2856 18.8810 18.8810 18.9755 18.9755 19.0170 19.0170 23.1249 23.1249 23.1489 23.1489 k = 0.0000 0.0000 0.0000 ( 659 PWs) bands (ev): -54.0021 -54.0021 -25.8235 -25.8235 -24.7880 -24.7880 -24.7763 -24.7763 3.5535 3.5535 14.8829 14.8829 15.2470 15.2470 15.2856 15.2856 18.8810 18.8810 18.9755 18.9755 19.0170 19.0170 23.1249 23.1249 23.1489 23.1489 k = 0.0000 0.0000 0.0085 ( 659 PWs) bands (ev): -54.0021 -54.0021 -25.8236 -25.8236 -24.7882 -24.7882 -24.7763 -24.7763 3.5549 3.5549 14.8814 14.8814 15.2472 15.2480 15.2863 15.2863 18.8800 18.8800 18.9737 18.9737 19.0138 19.0164 23.1242 23.1267 23.1494 23.1494 k = 0.0000 0.0000 0.0170 ( 659 PWs) bands (ev): -54.0020 -54.0020 -25.8239 -25.8239 -24.7888 -24.7888 -24.7762 -24.7762 3.5591 3.5591 14.8770 14.8770 15.2487 15.2504 15.2882 15.2882 18.8770 18.8770 18.9682 18.9682 19.0067 19.0120 23.1247 23.1295 23.1509 23.1509 k = 0.0000 0.0000 0.0254 ( 659 PWs) bands (ev): -54.0018 -54.0018 -25.8242 -25.8242 -24.7897 -24.7897 -24.7761 -24.7761 3.5662 3.5662 14.8695 14.8695 15.2515 15.2540 15.2914 15.2914 18.8721 18.8721 18.9592 18.9592 18.9959 19.0039 23.1262 23.1334 23.1535 23.1535 k = 0.0000 0.0000 0.0339 ( 659 PWs) bands (ev): -54.0016 -54.0016 -25.8248 -25.8248 -24.7910 -24.7910 -24.7759 -24.7759 3.5760 3.5760 14.8589 14.8589 15.2556 15.2589 15.2959 15.2959 18.8654 18.8654 18.9466 18.9466 18.9814 18.9920 23.1287 23.1383 23.1569 23.1569 k = 0.0000 0.0000 0.0424 ( 653 PWs) bands (ev): -54.0013 -54.0013 -25.8254 -25.8254 -24.7926 -24.7926 -24.7756 -24.7756 3.5886 3.5886 14.8455 14.8455 15.2610 15.2652 15.3017 15.3017 18.8571 18.8571 18.9308 18.9308 18.9634 18.9765 23.1322 23.1440 23.1612 23.1612 k = 0.0000 0.0000 0.0509 ( 641 PWs) bands (ev): -54.0009 -54.0009 -25.8261 -25.8261 -24.7945 -24.7945 -24.7751 -24.7751 3.6041 3.6041 14.8286 14.8286 15.2679 15.2729 15.3090 15.3090 18.8472 18.8472 18.9120 18.9120 18.9420 18.9577 23.1366 23.1506 23.1663 23.1663 k = 0.0000 0.0000 0.0594 ( 641 PWs) bands (ev): -54.0004 -54.0004 -25.8271 -25.8271 -24.7969 -24.7969 -24.7748 -24.7748 3.6223 3.6223 14.8082 14.8082 15.2757 15.2816 15.3172 15.3172 18.8357 18.8357 18.8902 18.8902 18.9171 18.9352 23.1416 23.1578 23.1719 23.1719 k = 0.0000 0.0000 0.0679 ( 641 PWs) bands (ev): -54.0000 -54.0000 -25.8283 -25.8283 -24.7997 -24.7997 -24.7744 -24.7744 3.6432 3.6432 14.7844 14.7844 15.2849 15.2916 15.3267 15.3267 18.8223 18.8223 18.8665 18.8665 18.8890 18.9096 23.1471 23.1654 23.1780 23.1780 k = 0.0000 0.0000 0.0763 ( 641 PWs) bands (ev): -53.9994 -53.9994 -25.8296 -25.8296 -24.8027 -24.8027 -24.7739 -24.7739 3.6670 3.6670 14.7568 14.7568 15.2952 15.3028 15.3375 15.3375 18.8059 18.8059 18.8425 18.8425 18.8579 18.8809 23.1531 23.1733 23.1845 23.1845 k = 0.0000 0.0000 0.0848 ( 647 PWs) bands (ev): -53.9988 -53.9988 -25.8312 -25.8312 -24.8063 -24.8063 -24.7735 -24.7735 3.6934 3.6934 14.7254 14.7254 15.3067 15.3152 15.3494 15.3494 18.7836 18.7836 18.8213 18.8213 18.8239 18.8491 23.1594 23.1814 23.1910 23.1910 k = 0.0000 0.0000 0.0933 ( 647 PWs) bands (ev): -53.9982 -53.9982 -25.8329 -25.8329 -24.8100 -24.8100 -24.7730 -24.7730 3.7225 3.7225 14.6901 14.6901 15.3194 15.3289 15.3625 15.3625 18.7544 18.7544 18.7874 18.8050 18.8050 18.8148 23.1657 23.1895 23.1976 23.1976 k = 0.0000 0.0000 0.1018 ( 647 PWs) bands (ev): -53.9975 -53.9975 -25.8347 -25.8347 -24.8140 -24.8140 -24.7724 -24.7724 3.7544 3.7544 14.6507 14.6507 15.3333 15.3437 15.3768 15.3768 18.7201 18.7201 18.7485 18.7780 18.7920 18.7920 23.1719 23.1974 23.2040 23.2040 k = 0.0000 0.0000 0.1103 ( 647 PWs) bands (ev): -53.9967 -53.9967 -25.8367 -25.8367 -24.8182 -24.8182 -24.7718 -24.7718 3.7888 3.7888 14.6071 14.6071 15.3484 15.3597 15.3922 15.3922 18.6824 18.6824 18.7074 18.7389 18.7812 18.7812 23.1779 23.2049 23.2100 23.2100 k = 0.0000 0.0000 0.1187 ( 647 PWs) bands (ev): -53.9959 -53.9959 -25.8388 -25.8388 -24.8227 -24.8227 -24.7711 -24.7711 3.8259 3.8259 14.5591 14.5591 15.3645 15.3768 15.4087 15.4087 18.6421 18.6421 18.6642 18.6978 18.7723 18.7723 23.1835 23.2119 23.2156 23.2156 k = 0.0000 0.0000 0.1272 ( 647 PWs) bands (ev): -53.9950 -53.9950 -25.8411 -25.8411 -24.8275 -24.8275 -24.7704 -24.7704 3.8656 3.8656 14.5067 14.5067 15.3817 15.3950 15.4262 15.4262 18.5998 18.5998 18.6193 18.6547 18.7654 18.7654 23.1885 23.2182 23.2204 23.2204 k = 0.0000 0.0000 0.1357 ( 647 PWs) bands (ev): -53.9941 -53.9941 -25.8436 -25.8436 -24.8325 -24.8325 -24.7696 -24.7696 3.9079 3.9079 14.4498 14.4498 15.3999 15.4142 15.4449 15.4449 18.5557 18.5557 18.5728 18.6101 18.7606 18.7606 23.1927 23.2236 23.2245 23.2245 k = 0.0000 0.0000 0.1442 ( 647 PWs) bands (ev): -53.9931 -53.9931 -25.8462 -25.8462 -24.8376 -24.8376 -24.7689 -24.7689 3.9527 3.9527 14.3883 14.3883 15.4192 15.4345 15.4645 15.4645 18.5102 18.5102 18.5248 18.5640 18.7582 18.7582 23.1961 23.2276 23.2276 23.2280 k = 0.0000 0.0000 0.1527 ( 647 PWs) bands (ev): -53.9921 -53.9921 -25.8489 -25.8489 -24.8430 -24.8430 -24.7680 -24.7680 4.0000 4.0000 14.3223 14.3223 15.4394 15.4558 15.4850 15.4850 18.4633 18.4633 18.4757 18.5166 18.7583 18.7583 23.1984 23.2296 23.2296 23.2314 k = 0.0000 0.0000 0.1612 ( 647 PWs) bands (ev): -53.9910 -53.9910 -25.8518 -25.8518 -24.8485 -24.8485 -24.7672 -24.7672 4.0497 4.0497 14.2517 14.2517 15.4606 15.4780 15.5065 15.5065 18.4155 18.4155 18.4256 18.4682 18.7611 18.7611 23.1996 23.2303 23.2303 23.2334 k = 0.0000 0.0000 0.1696 ( 641 PWs) bands (ev): -53.9899 -53.9899 -25.8547 -25.8547 -24.8540 -24.8540 -24.7663 -24.7663 4.1019 4.1019 14.1768 14.1768 15.4826 15.5012 15.5289 15.5289 18.3669 18.3669 18.3748 18.4190 18.7669 18.7669 23.1996 23.2298 23.2298 23.2341 k = 0.0000 0.0000 0.1781 ( 641 PWs) bands (ev): -53.9888 -53.9888 -25.8579 -25.8579 -24.8598 -24.8598 -24.7654 -24.7654 4.1564 4.1564 14.0973 14.0973 15.5055 15.5252 15.5520 15.5520 18.3176 18.3176 18.3233 18.3691 18.7755 18.7755 23.1982 23.2279 23.2279 23.2334 k = 0.0000 0.0000 0.1866 ( 641 PWs) bands (ev): -53.9876 -53.9876 -25.8613 -25.8613 -24.8656 -24.8656 -24.7644 -24.7644 4.2133 4.2133 14.0135 14.0135 15.5291 15.5500 15.5760 15.5760 18.2679 18.2679 18.2713 18.3186 18.7870 18.7870 23.1954 23.2244 23.2244 23.2311 k = 0.0000 0.0000 0.1951 ( 641 PWs) bands (ev): -53.9864 -53.9864 -25.8647 -25.8647 -24.8716 -24.8716 -24.7635 -24.7635 4.2724 4.2724 13.9255 13.9255 15.5535 15.5756 15.6006 15.6006 18.2179 18.2179 18.2191 18.2679 18.8016 18.8016 23.1911 23.2195 23.2195 23.2273 k = 0.0000 0.0000 0.2036 ( 641 PWs) bands (ev): -53.9852 -53.9852 -25.8683 -25.8683 -24.8776 -24.8776 -24.7625 -24.7625 4.3337 4.3337 13.8336 13.8336 15.5786 15.6018 15.6259 15.6259 18.1667 18.1678 18.1678 18.2171 18.8192 18.8192 23.1852 23.2129 23.2129 23.2219 k = 0.0000 0.0000 0.2120 ( 641 PWs) bands (ev): -53.9840 -53.9840 -25.8720 -25.8720 -24.8836 -24.8836 -24.7615 -24.7615 4.3972 4.3972 13.7378 13.7378 15.6042 15.6288 15.6517 15.6517 18.1144 18.1178 18.1178 18.1662 18.8398 18.8398 23.1779 23.2047 23.2047 23.2148 k = 0.0000 0.0000 0.2205 ( 641 PWs) bands (ev): -53.9827 -53.9827 -25.8759 -25.8759 -24.8896 -24.8896 -24.7604 -24.7604 4.4629 4.4629 13.6385 13.6385 15.6304 15.6563 15.6781 15.6781 18.0624 18.0681 18.0681 18.1156 18.8632 18.8632 23.1689 23.1949 23.1949 23.2060 k = 0.0000 0.0000 0.2290 ( 641 PWs) bands (ev): -53.9815 -53.9815 -25.8798 -25.8798 -24.8957 -24.8957 -24.7594 -24.7594 4.5305 4.5305 13.5358 13.5358 15.6571 15.6843 15.7048 15.7048 18.0107 18.0188 18.0188 18.0653 18.8894 18.8894 23.1584 23.1835 23.1835 23.1955 k = 0.0000 0.0000 0.2375 ( 635 PWs) bands (ev): -53.9802 -53.9802 -25.8838 -25.8838 -24.9016 -24.9016 -24.7583 -24.7583 4.6002 4.6002 13.4300 13.4300 15.6843 15.7128 15.7320 15.7320 17.9597 17.9702 17.9702 18.0156 18.9182 18.9182 23.1463 23.1705 23.1705 23.1835 k = 0.0000 0.0000 0.2460 ( 635 PWs) bands (ev): -53.9789 -53.9789 -25.8879 -25.8879 -24.9076 -24.9076 -24.7572 -24.7572 4.6718 4.6718 13.3212 13.3212 15.7117 15.7415 15.7594 15.7594 17.9091 17.9222 17.9222 17.9664 18.9495 18.9495 23.1327 23.1559 23.1559 23.1698 k = 0.0000 0.0000 0.2545 ( 647 PWs) bands (ev): -53.9776 -53.9776 -25.8923 -25.8923 -24.9137 -24.9137 -24.7563 -24.7563 4.7451 4.7451 13.2099 13.2099 15.7393 15.7705 15.7869 15.7869 17.8591 17.8746 17.8746 17.9177 18.9831 18.9831 23.1176 23.1397 23.1397 23.1545 k = 0.0000 0.0000 0.2629 ( 647 PWs) bands (ev): -53.9764 -53.9764 -25.8966 -25.8966 -24.9195 -24.9195 -24.7553 -24.7553 4.8203 4.8203 13.0962 13.0962 15.7671 15.7998 15.8146 15.8146 17.8102 17.8284 17.8284 17.8701 19.0188 19.0188 23.1011 23.1220 23.1220 23.1378 k = 0.0000 0.0000 0.2714 ( 647 PWs) bands (ev): -53.9751 -53.9751 -25.9010 -25.9010 -24.9253 -24.9253 -24.7542 -24.7542 4.8971 4.8971 12.9804 12.9804 15.7950 15.8291 15.8422 15.8422 17.7625 17.7834 17.7834 17.8236 19.0565 19.0565 23.0832 23.1030 23.1030 23.1196 k = 0.0000 0.0000 0.2799 ( 647 PWs) bands (ev): -53.9738 -53.9738 -25.9054 -25.9054 -24.9309 -24.9309 -24.7532 -24.7532 4.9756 4.9756 12.8627 12.8627 15.8229 15.8584 15.8697 15.8697 17.7159 17.7395 17.7395 17.7781 19.0959 19.0959 23.0641 23.0827 23.0827 23.1001 k = 0.0000 0.0000 0.2884 ( 647 PWs) bands (ev): -53.9725 -53.9725 -25.9099 -25.9099 -24.9364 -24.9364 -24.7521 -24.7521 5.0555 5.0555 12.7435 12.7435 15.8507 15.8876 15.8970 15.8970 17.6705 17.6971 17.6971 17.7340 19.1368 19.1368 23.0438 23.0612 23.0612 23.0794 k = 0.0000 0.0000 0.2969 ( 647 PWs) bands (ev): -53.9712 -53.9712 -25.9143 -25.9143 -24.9418 -24.9418 -24.7511 -24.7511 5.1368 5.1368 12.6231 12.6231 15.8782 15.9166 15.9239 15.9239 17.6266 17.6561 17.6561 17.6911 19.1790 19.1790 23.0224 23.0386 23.0386 23.0575 k = 0.0000 0.0000 0.3053 ( 647 PWs) bands (ev): -53.9700 -53.9700 -25.9188 -25.9188 -24.9471 -24.9471 -24.7501 -24.7501 5.2194 5.2194 12.5016 12.5016 15.9055 15.9452 15.9504 15.9504 17.5842 17.6168 17.6168 17.6497 19.2222 19.2222 23.0001 23.0149 23.0149 23.0346 k = 0.0000 0.0000 0.3138 ( 647 PWs) bands (ev): -53.9687 -53.9687 -25.9233 -25.9233 -24.9522 -24.9522 -24.7491 -24.7491 5.3032 5.3032 12.3794 12.3794 15.9323 15.9734 15.9763 15.9763 17.5435 17.5791 17.5791 17.6098 19.2663 19.2663 22.9770 22.9905 22.9905 23.0108 k = 0.0000 0.0000 0.3223 ( 647 PWs) bands (ev): -53.9675 -53.9675 -25.9278 -25.9278 -24.9571 -24.9571 -24.7481 -24.7481 5.3880 5.3880 12.2567 12.2567 15.9587 16.0010 16.0014 16.0014 17.5045 17.5433 17.5433 17.5716 19.3110 19.3110 22.9532 22.9653 22.9653 22.9862 k = 0.0000 0.0000 0.3308 ( 647 PWs) bands (ev): -53.9663 -53.9663 -25.9322 -25.9322 -24.9619 -24.9619 -24.7471 -24.7471 5.4737 5.4737 12.1339 12.1339 15.9844 16.0258 16.0258 16.0279 17.4673 17.5094 17.5094 17.5350 19.3560 19.3560 22.9288 22.9395 22.9395 22.9610 k = 0.0000 0.0000 0.3393 ( 647 PWs) bands (ev): -53.9652 -53.9652 -25.9365 -25.9365 -24.9665 -24.9665 -24.7462 -24.7462 5.5601 5.5601 12.0111 12.0111 16.0094 16.0493 16.0493 16.0540 17.4320 17.4775 17.4775 17.5002 19.4012 19.4012 22.9040 22.9133 22.9133 22.9353 k = 0.0000 0.0000 0.3478 ( 647 PWs) bands (ev): -53.9640 -53.9640 -25.9408 -25.9408 -24.9708 -24.9708 -24.7452 -24.7452 5.6470 5.6470 11.8889 11.8889 16.0335 16.0716 16.0716 16.0791 17.3988 17.4477 17.4477 17.4673 19.4462 19.4462 22.8789 22.8868 22.8868 22.9094 k = 0.0000 0.0000 0.3562 ( 647 PWs) bands (ev): -53.9629 -53.9629 -25.9451 -25.9451 -24.9750 -24.9750 -24.7443 -24.7443 5.7342 5.7342 11.7673 11.7673 16.0568 16.0929 16.0929 16.1031 17.3677 17.4200 17.4200 17.4362 19.4909 19.4909 22.8538 22.8602 22.8602 22.8832 k = 0.0000 0.0000 0.3647 ( 659 PWs) bands (ev): -53.9619 -53.9619 -25.9494 -25.9494 -24.9793 -24.9793 -24.7435 -24.7435 5.8215 5.8215 11.6467 11.6467 16.0789 16.1127 16.1127 16.1257 17.3386 17.3943 17.3943 17.4069 19.5347 19.5347 22.8287 22.8335 22.8335 22.8570 k = 0.0000 0.0000 0.3732 ( 659 PWs) bands (ev): -53.9609 -53.9609 -25.9534 -25.9534 -24.9831 -24.9831 -24.7427 -24.7427 5.9088 5.9088 11.5276 11.5276 16.1001 16.1314 16.1314 16.1471 17.3120 17.3710 17.3710 17.3797 19.5780 19.5780 22.8038 22.8072 22.8072 22.8310 k = 0.0000 0.0000 0.3817 ( 659 PWs) bands (ev): -53.9599 -53.9599 -25.9573 -25.9573 -24.9867 -24.9867 -24.7419 -24.7419 5.9956 5.9956 11.4104 11.4104 16.1201 16.1486 16.1486 16.1671 17.2876 17.3499 17.3499 17.3544 19.6202 19.6202 22.7793 22.7812 22.7812 22.8053 k = 0.0000 0.0000 0.3902 ( 653 PWs) bands (ev): -53.9590 -53.9590 -25.9609 -25.9609 -24.9900 -24.9900 -24.7411 -24.7411 6.0816 6.0816 11.2954 11.2954 16.1390 16.1645 16.1645 16.1857 17.2657 17.3310 17.3310 17.3312 19.6612 19.6612 22.7554 22.7558 22.7558 22.7802 k = 0.0000 0.0000 0.3986 ( 653 PWs) bands (ev): -53.9581 -53.9581 -25.9645 -25.9645 -24.9931 -24.9931 -24.7404 -24.7404 6.1666 6.1666 11.1830 11.1830 16.1566 16.1789 16.1789 16.2026 17.2460 17.3098 17.3142 17.3142 19.7007 19.7007 22.7310 22.7310 22.7322 22.7556 k = 0.0000 0.0000 0.4071 ( 647 PWs) bands (ev): -53.9572 -53.9572 -25.9678 -25.9678 -24.9960 -24.9960 -24.7397 -24.7397 6.2500 6.2500 11.0739 11.0739 16.1729 16.1918 16.1918 16.2178 17.2286 17.2904 17.2994 17.2994 19.7388 19.7388 22.7072 22.7072 22.7098 22.7318 k = 0.0000 0.0000 0.4156 ( 647 PWs) bands (ev): -53.9564 -53.9564 -25.9710 -25.9710 -24.9988 -24.9988 -24.7391 -24.7391 6.3315 6.3315 10.9682 10.9682 16.1879 16.2032 16.2032 16.2313 17.2135 17.2727 17.2867 17.2867 19.7747 19.7747 22.6843 22.6843 22.6885 22.7090 k = 0.0000 0.0000 0.4241 ( 647 PWs) bands (ev): -53.9557 -53.9557 -25.9741 -25.9741 -25.0013 -25.0013 -24.7385 -24.7385 6.4106 6.4106 10.8667 10.8667 16.2016 16.2133 16.2133 16.2432 17.2006 17.2568 17.2757 17.2757 19.8086 19.8086 22.6626 22.6626 22.6683 22.6874 k = 0.0000 0.0000 0.4326 ( 659 PWs) bands (ev): -53.9551 -53.9551 -25.9770 -25.9770 -25.0038 -25.0038 -24.7381 -24.7381 6.4865 6.4865 10.7700 10.7700 16.2139 16.2218 16.2218 16.2531 17.1895 17.2423 17.2663 17.2663 19.8401 19.8401 22.6422 22.6422 22.6494 22.6669 k = 0.0000 0.0000 0.4411 ( 659 PWs) bands (ev): -53.9545 -53.9545 -25.9796 -25.9796 -25.0059 -25.0059 -24.7377 -24.7377 6.5588 6.5588 10.6789 10.6789 16.2252 16.2292 16.2292 16.2617 17.1807 17.2296 17.2586 17.2586 19.8692 19.8692 22.6234 22.6234 22.6319 22.6478 k = 0.0000 0.0000 0.4495 ( 659 PWs) bands (ev): -53.9540 -53.9540 -25.9820 -25.9820 -25.0078 -25.0078 -24.7372 -24.7372 6.6267 6.6267 10.5941 10.5941 16.2353 16.2355 16.2355 16.2687 17.1738 17.2183 17.2524 17.2524 19.8957 19.8957 22.6061 22.6061 22.6160 22.6303 k = 0.0000 0.0000 0.4580 ( 659 PWs) bands (ev): -53.9535 -53.9535 -25.9841 -25.9841 -25.0095 -25.0095 -24.7368 -24.7368 6.6894 6.6894 10.5163 10.5163 16.2407 16.2407 16.2443 16.2743 17.1685 17.2083 17.2474 17.2474 19.9194 19.9194 22.5905 22.5905 22.6018 22.6144 k = 0.0000 0.0000 0.4665 ( 659 PWs) bands (ev): -53.9530 -53.9530 -25.9859 -25.9859 -25.0109 -25.0109 -24.7365 -24.7365 6.7461 6.7461 10.4464 10.4464 16.2450 16.2450 16.2522 16.2785 17.1648 17.1996 17.2434 17.2434 19.9403 19.9403 22.5768 22.5768 22.5894 22.6003 k = 0.0000 0.0000 0.4750 ( 659 PWs) bands (ev): -53.9527 -53.9527 -25.9874 -25.9874 -25.0121 -25.0121 -24.7362 -24.7362 6.7960 6.7960 10.3853 10.3853 16.2484 16.2484 16.2592 16.2815 17.1625 17.1919 17.2404 17.2404 19.9581 19.9581 22.5650 22.5650 22.5789 22.5880 k = 0.0000 0.0000 0.4835 ( 659 PWs) bands (ev): -53.9524 -53.9524 -25.9887 -25.9887 -25.0131 -25.0131 -24.7359 -24.7359 6.8383 6.8383 10.3339 10.3339 16.2511 16.2511 16.2652 16.2834 17.1614 17.1852 17.2381 17.2381 19.9729 19.9729 22.5552 22.5552 22.5704 22.5777 k = 0.0000 0.0000 0.4919 ( 659 PWs) bands (ev): -53.9521 -53.9521 -25.9897 -25.9897 -25.0139 -25.0139 -24.7358 -24.7358 6.8722 6.8722 10.2929 10.2929 16.2530 16.2530 16.2704 16.2841 17.1614 17.1794 17.2365 17.2365 19.9844 19.9844 22.5476 22.5476 22.5639 22.5694 k = 0.0000 0.0000 0.5004 ( 659 PWs) bands (ev): -53.9520 -53.9520 -25.9905 -25.9905 -25.0144 -25.0144 -24.7356 -24.7356 6.8969 6.8969 10.2631 10.2631 16.2544 16.2544 16.2747 16.2839 17.1623 17.1745 17.2354 17.2354 19.9928 19.9928 22.5421 22.5421 22.5595 22.5631 k = 0.0000 0.0000 0.5089 ( 659 PWs) bands (ev): -53.9519 -53.9519 -25.9909 -25.9909 -25.0148 -25.0148 -24.7355 -24.7355 6.9120 6.9120 10.2450 10.2450 16.2552 16.2552 16.2782 16.2829 17.1642 17.1703 17.2347 17.2347 19.9977 19.9977 22.5387 22.5387 22.5572 22.5590 k = 0.0000 0.0000 0.5174 ( 660 PWs) bands (ev): -53.9518 -53.9518 -25.9911 -25.9911 -25.0149 -25.0149 -24.7355 -24.7355 6.9170 6.9170 10.2389 10.2389 16.2554 16.2554 16.2810 16.2810 17.1668 17.1668 17.2345 17.2345 19.9994 19.9994 22.5376 22.5376 22.5570 22.5570 k = 0.0000 0.0000 0.5174 ( 660 PWs) bands (ev): -53.9518 -53.9518 -25.9911 -25.9911 -25.0149 -25.0149 -24.7355 -24.7355 6.9170 6.9170 10.2389 10.2389 16.2554 16.2554 16.2810 16.2810 17.1668 17.1668 17.2345 17.2345 19.9994 19.9994 22.5376 22.5376 22.5570 22.5570 k = 0.0074 0.0042 0.5174 ( 660 PWs) bands (ev): -53.9518 -53.9518 -25.9911 -25.9911 -25.0150 -25.0150 -24.7357 -24.7357 6.9173 6.9173 10.2402 10.2402 16.2542 16.2542 16.2797 16.2797 17.1667 17.1667 17.2345 17.2345 19.9999 19.9999 22.5378 22.5378 22.5574 22.5574 k = 0.0147 0.0085 0.5174 ( 660 PWs) bands (ev): -53.9517 -53.9517 -25.9912 -25.9912 -25.0151 -25.0151 -24.7361 -24.7361 6.9182 6.9182 10.2443 10.2443 16.2504 16.2504 16.2759 16.2759 17.1662 17.1662 17.2345 17.2345 20.0014 20.0014 22.5371 22.5371 22.5595 22.5595 k = 0.0221 0.0127 0.5174 ( 660 PWs) bands (ev): -53.9515 -53.9515 -25.9913 -25.9913 -25.0154 -25.0154 -24.7368 -24.7368 6.9196 6.9196 10.2511 10.2511 16.2441 16.2441 16.2697 16.2697 17.1647 17.1647 17.2352 17.2352 20.0040 20.0040 22.5338 22.5338 22.5653 22.5653 k = 0.0294 0.0170 0.5174 ( 660 PWs) bands (ev): -53.9513 -53.9513 -25.9915 -25.9915 -25.0158 -25.0158 -24.7377 -24.7377 6.9216 6.9216 10.2607 10.2607 16.2351 16.2351 16.2612 16.2612 17.1613 17.1613 17.2376 17.2376 20.0075 20.0075 22.5273 22.5273 22.5753 22.5753 k = 0.0368 0.0212 0.5174 ( 660 PWs) bands (ev): -53.9510 -53.9510 -25.9917 -25.9917 -25.0163 -25.0163 -24.7390 -24.7390 6.9242 6.9242 10.2729 10.2729 16.2235 16.2235 16.2504 16.2504 17.1552 17.1552 17.2423 17.2423 20.0120 20.0120 22.5182 22.5182 22.5891 22.5891 k = 0.0441 0.0255 0.5174 ( 656 PWs) bands (ev): -53.9506 -53.9506 -25.9920 -25.9920 -25.0168 -25.0168 -24.7404 -24.7404 6.9274 6.9274 10.2878 10.2878 16.2092 16.2092 16.2376 16.2376 17.1462 17.1462 17.2501 17.2501 20.0174 20.0174 22.5069 22.5069 22.6062 22.6062 k = 0.0515 0.0297 0.5174 ( 652 PWs) bands (ev): -53.9502 -53.9502 -25.9923 -25.9923 -25.0175 -25.0175 -24.7421 -24.7421 6.9311 6.9311 10.3053 10.3053 16.1922 16.1922 16.2227 16.2227 17.1343 17.1343 17.2608 17.2608 20.0237 20.0237 22.4936 22.4936 22.6265 22.6265 k = 0.0588 0.0340 0.5174 ( 652 PWs) bands (ev): -53.9497 -53.9497 -25.9927 -25.9927 -25.0183 -25.0183 -24.7441 -24.7441 6.9354 6.9354 10.3254 10.3254 16.1725 16.1725 16.2056 16.2056 17.1197 17.1197 17.2740 17.2740 20.0308 20.0308 22.4786 22.4786 22.6497 22.6497 k = 0.0662 0.0382 0.5174 ( 652 PWs) bands (ev): -53.9491 -53.9491 -25.9932 -25.9932 -25.0193 -25.0193 -24.7464 -24.7464 6.9403 6.9403 10.3481 10.3481 16.1501 16.1501 16.1866 16.1866 17.1028 17.1028 17.2897 17.2897 20.0386 20.0386 22.4621 22.4621 22.6757 22.6757 k = 0.0735 0.0425 0.5174 ( 652 PWs) bands (ev): -53.9485 -53.9485 -25.9937 -25.9937 -25.0203 -25.0203 -24.7489 -24.7489 6.9457 6.9457 10.3732 10.3732 16.1253 16.1253 16.1654 16.1654 17.0839 17.0839 17.3078 17.3078 20.0471 20.0471 22.4443 22.4443 22.7043 22.7043 k = 0.0809 0.0467 0.5174 ( 652 PWs) bands (ev): -53.9479 -53.9479 -25.9943 -25.9943 -25.0215 -25.0215 -24.7516 -24.7516 6.9517 6.9517 10.4008 10.4008 16.0982 16.0982 16.1422 16.1422 17.0632 17.0632 17.3281 17.3281 20.0563 20.0563 22.4254 22.4254 22.7355 22.7355 k = 0.0882 0.0509 0.5174 ( 654 PWs) bands (ev): -53.9471 -53.9471 -25.9950 -25.9950 -25.0227 -25.0227 -24.7546 -24.7546 6.9583 6.9583 10.4308 10.4308 16.0688 16.0688 16.1168 16.1168 17.0410 17.0410 17.3505 17.3505 20.0659 20.0659 22.4057 22.4057 22.7690 22.7690 k = 0.0956 0.0552 0.5174 ( 654 PWs) bands (ev): -53.9464 -53.9464 -25.9957 -25.9957 -25.0241 -25.0241 -24.7578 -24.7578 6.9655 6.9655 10.4630 10.4630 16.0375 16.0375 16.0893 16.0893 17.0176 17.0176 17.3748 17.3748 20.0761 20.0761 22.3854 22.3854 22.8047 22.8047 k = 0.1029 0.0594 0.5174 ( 654 PWs) bands (ev): -53.9455 -53.9455 -25.9965 -25.9965 -25.0256 -25.0256 -24.7611 -24.7611 6.9732 6.9732 10.4975 10.4975 16.0043 16.0043 16.0596 16.0596 16.9932 16.9932 17.4012 17.4012 20.0867 20.0867 22.3647 22.3647 22.8425 22.8425 k = 0.1103 0.0637 0.5174 ( 654 PWs) bands (ev): -53.9446 -53.9446 -25.9973 -25.9973 -25.0271 -25.0271 -24.7646 -24.7646 6.9815 6.9815 10.5342 10.5342 15.9693 15.9693 16.0276 16.0276 16.9679 16.9679 17.4294 17.4294 20.0976 20.0976 22.3439 22.3439 22.8822 22.8822 k = 0.1176 0.0679 0.5174 ( 654 PWs) bands (ev): -53.9437 -53.9437 -25.9982 -25.9982 -25.0288 -25.0288 -24.7683 -24.7683 6.9903 6.9903 10.5729 10.5729 15.9328 15.9328 15.9935 15.9935 16.9421 16.9421 17.4594 17.4594 20.1088 20.1088 22.3231 22.3231 22.9236 22.9236 k = 0.1250 0.0722 0.5174 ( 654 PWs) bands (ev): -53.9427 -53.9427 -25.9992 -25.9992 -25.0305 -25.0305 -24.7722 -24.7722 6.9997 6.9997 10.6135 10.6135 15.8948 15.8948 15.9572 15.9572 16.9159 16.9159 17.4913 17.4913 20.1203 20.1203 22.3025 22.3025 22.9666 22.9666 k = 0.1324 0.0764 0.5174 ( 654 PWs) bands (ev): -53.9416 -53.9416 -26.0002 -26.0002 -25.0324 -25.0324 -24.7762 -24.7762 7.0097 7.0097 10.6560 10.6560 15.8556 15.8556 15.9187 15.9187 16.8895 16.8895 17.5248 17.5248 20.1318 20.1318 22.2825 22.2825 23.0110 23.0110 k = 0.1397 0.0807 0.5174 ( 654 PWs) bands (ev): -53.9405 -53.9405 -26.0013 -26.0013 -25.0344 -25.0344 -24.7803 -24.7803 7.0202 7.0202 10.7002 10.7002 15.8151 15.8151 15.8780 15.8780 16.8632 16.8632 17.5601 17.5601 20.1434 20.1434 22.2630 22.2630 23.0567 23.0567 k = 0.1471 0.0849 0.5174 ( 654 PWs) bands (ev): -53.9394 -53.9394 -26.0025 -26.0025 -25.0364 -25.0364 -24.7845 -24.7845 7.0312 7.0312 10.7460 10.7460 15.7737 15.7737 15.8352 15.8352 16.8372 16.8372 17.5969 17.5969 20.1551 20.1551 22.2445 22.2445 23.1035 23.1035 k = 0.1544 0.0891 0.5174 ( 654 PWs) bands (ev): -53.9382 -53.9382 -26.0037 -26.0037 -25.0386 -25.0386 -24.7888 -24.7888 7.0428 7.0428 10.7933 10.7933 15.7313 15.7313 15.7903 15.7903 16.8117 16.8117 17.6353 17.6353 20.1667 20.1667 22.2269 22.2269 23.1513 23.1513 k = 0.1618 0.0934 0.5174 ( 656 PWs) bands (ev): -53.9370 -53.9370 -26.0050 -26.0050 -25.0408 -25.0408 -24.7932 -24.7932 7.0549 7.0549 10.8419 10.8419 15.6882 15.6882 15.7433 15.7433 16.7869 16.7869 17.6752 17.6752 20.1782 20.1782 22.2105 22.2105 23.1999 23.1999 k = 0.1691 0.0976 0.5174 ( 656 PWs) bands (ev): -53.9358 -53.9358 -26.0064 -26.0064 -25.0432 -25.0432 -24.7977 -24.7977 7.0676 7.0676 10.8918 10.8918 15.6444 15.6444 15.6944 15.6944 16.7631 16.7631 17.7166 17.7166 20.1895 20.1895 22.1955 22.1955 23.2491 23.2491 k = 0.1765 0.1019 0.5174 ( 656 PWs) bands (ev): -53.9345 -53.9345 -26.0078 -26.0078 -25.0455 -25.0455 -24.8023 -24.8023 7.0807 7.0807 10.9426 10.9426 15.6000 15.6000 15.6437 15.6437 16.7406 16.7406 17.7592 17.7592 20.2007 20.2007 22.1818 22.1818 23.2989 23.2989 k = 0.1838 0.1061 0.5174 ( 656 PWs) bands (ev): -53.9332 -53.9332 -26.0093 -26.0093 -25.0480 -25.0480 -24.8068 -24.8068 7.0944 7.0944 10.9944 10.9944 15.5551 15.5551 15.5913 15.5913 16.7194 16.7194 17.8032 17.8032 20.2115 20.2115 22.1697 22.1697 23.3490 23.3490 k = 0.1912 0.1104 0.5174 ( 662 PWs) bands (ev): -53.9319 -53.9319 -26.0110 -26.0110 -25.0507 -25.0507 -24.8115 -24.8115 7.1085 7.1085 11.0468 11.0468 15.5095 15.5095 15.5374 15.5374 16.6997 16.6997 17.8485 17.8485 20.2221 20.2221 22.1591 22.1591 23.3994 23.3994 k = 0.1985 0.1146 0.5174 ( 662 PWs) bands (ev): -53.9306 -53.9306 -26.0126 -26.0126 -25.0534 -25.0534 -24.8161 -24.8161 7.1231 7.1231 11.0998 11.0998 15.4628 15.4628 15.4829 15.4829 16.6820 16.6820 17.8950 17.8950 20.2323 20.2323 22.1503 22.1503 23.4499 23.4499 k = 0.2059 0.1189 0.5174 ( 662 PWs) bands (ev): -53.9292 -53.9292 -26.0144 -26.0144 -25.0561 -25.0561 -24.8207 -24.8207 7.1382 7.1382 11.1531 11.1531 15.4127 15.4127 15.4301 15.4301 16.6664 16.6664 17.9425 17.9425 20.2420 20.2420 22.1433 22.1433 23.5005 23.5005 k = 0.2132 0.1231 0.5174 ( 654 PWs) bands (ev): -53.9277 -53.9277 -26.0160 -26.0160 -25.0588 -25.0588 -24.8252 -24.8252 7.1538 7.1538 11.2067 11.2067 15.3575 15.3575 15.3814 15.3814 16.6532 16.6532 17.9911 17.9911 20.2514 20.2514 22.1383 22.1383 23.5509 23.5509 k = 0.2206 0.1274 0.5174 ( 654 PWs) bands (ev): -53.9263 -53.9263 -26.0178 -26.0178 -25.0616 -25.0616 -24.8297 -24.8297 7.1698 7.1698 11.2602 11.2602 15.2983 15.2983 15.3351 15.3351 16.6424 16.6424 18.0406 18.0406 20.2602 20.2602 22.1348 22.1348 23.6011 23.6011 k = 0.2279 0.1316 0.5174 ( 654 PWs) bands (ev): -53.9249 -53.9249 -26.0197 -26.0197 -25.0646 -25.0646 -24.8342 -24.8342 7.1862 7.1862 11.3135 11.3135 15.2372 15.2372 15.2899 15.2899 16.6343 16.6343 18.0910 18.0910 20.2684 20.2684 22.1332 22.1332 23.6510 23.6510 k = 0.2353 0.1358 0.5174 ( 654 PWs) bands (ev): -53.9235 -53.9235 -26.0217 -26.0217 -25.0675 -25.0675 -24.8386 -24.8386 7.2030 7.2030 11.3663 11.3663 15.1746 15.1746 15.2453 15.2453 16.6291 16.6291 18.1421 18.1421 20.2761 20.2761 22.1334 22.1334 23.7005 23.7005 k = 0.2426 0.1401 0.5174 ( 654 PWs) bands (ev): -53.9220 -53.9220 -26.0237 -26.0237 -25.0706 -25.0706 -24.8429 -24.8429 7.2202 7.2202 11.4186 11.4186 15.1110 15.1110 15.2012 15.2012 16.6270 16.6270 18.1939 18.1939 20.2830 20.2830 22.1354 22.1354 23.7494 23.7494 k = 0.2500 0.1443 0.5174 ( 650 PWs) bands (ev): -53.9206 -53.9206 -26.0257 -26.0257 -25.0736 -25.0736 -24.8471 -24.8471 7.2377 7.2377 11.4701 11.4701 15.0466 15.0466 15.1578 15.1578 16.6282 16.6282 18.2465 18.2465 20.2894 20.2894 22.1391 22.1391 23.7977 23.7977 k = 0.2574 0.1486 0.5174 ( 652 PWs) bands (ev): -53.9191 -53.9191 -26.0278 -26.0278 -25.0767 -25.0767 -24.8513 -24.8513 7.2556 7.2556 11.5206 11.5206 14.9814 14.9814 15.1149 15.1149 16.6328 16.6328 18.2993 18.2993 20.2948 20.2948 22.1446 22.1446 23.8453 23.8453 k = 0.2647 0.1528 0.5174 ( 646 PWs) bands (ev): -53.9176 -53.9176 -26.0299 -26.0299 -25.0797 -25.0797 -24.8554 -24.8554 7.2737 7.2737 11.5699 11.5699 14.9158 14.9158 15.0727 15.0727 16.6410 16.6410 18.3525 18.3525 20.2997 20.2997 22.1517 22.1517 23.8922 23.8922 k = 0.2721 0.1571 0.5174 ( 642 PWs) bands (ev): -53.9162 -53.9162 -26.0320 -26.0320 -25.0829 -25.0829 -24.8593 -24.8593 7.2922 7.2922 11.6180 11.6180 14.8498 14.8498 15.0314 15.0314 16.6530 16.6530 18.4060 18.4060 20.3036 20.3036 22.1603 22.1603 23.9382 23.9382 k = 0.2794 0.1613 0.5174 ( 642 PWs) bands (ev): -53.9148 -53.9148 -26.0342 -26.0342 -25.0860 -25.0860 -24.8631 -24.8631 7.3108 7.3108 11.6645 11.6645 14.7837 14.7837 14.9906 14.9906 16.6687 16.6687 18.4596 18.4596 20.3065 20.3065 22.1705 22.1705 23.9833 23.9833 k = 0.2868 0.1656 0.5174 ( 642 PWs) bands (ev): -53.9133 -53.9133 -26.0365 -26.0365 -25.0892 -25.0892 -24.8669 -24.8669 7.3296 7.3296 11.7093 11.7093 14.7175 14.7175 14.9508 14.9508 16.6882 16.6882 18.5133 18.5133 20.3085 20.3085 22.1821 22.1821 24.0273 24.0273 k = 0.2941 0.1698 0.5174 ( 642 PWs) bands (ev): -53.9119 -53.9119 -26.0387 -26.0387 -25.0923 -25.0923 -24.8705 -24.8705 7.3485 7.3485 11.7524 11.7524 14.6516 14.6516 14.9118 14.9118 16.7117 16.7117 18.5668 18.5668 20.3095 20.3095 22.1950 22.1950 24.0703 24.0703 k = 0.3015 0.1741 0.5174 ( 642 PWs) bands (ev): -53.9106 -53.9106 -26.0410 -26.0410 -25.0955 -25.0955 -24.8740 -24.8740 7.3676 7.3676 11.7937 11.7937 14.5859 14.5859 14.8737 14.8737 16.7391 16.7391 18.6202 18.6202 20.3094 20.3094 22.2092 22.2092 24.1122 24.1122 k = 0.3088 0.1783 0.5174 ( 642 PWs) bands (ev): -53.9092 -53.9092 -26.0433 -26.0433 -25.0986 -25.0986 -24.8774 -24.8774 7.3867 7.3867 11.8329 11.8329 14.5207 14.5207 14.8366 14.8366 16.7704 16.7704 18.6732 18.6732 20.3083 20.3083 22.2244 22.2244 24.1530 24.1530 k = 0.3162 0.1825 0.5174 ( 642 PWs) bands (ev): -53.9079 -53.9079 -26.0456 -26.0456 -25.1017 -25.1017 -24.8806 -24.8806 7.4059 7.4059 11.8701 11.8701 14.4562 14.4562 14.8006 14.8006 16.8056 16.8056 18.7258 18.7258 20.3059 20.3059 22.2407 22.2407 24.1925 24.1925 k = 0.3235 0.1868 0.5174 ( 642 PWs) bands (ev): -53.9065 -53.9065 -26.0478 -26.0478 -25.1048 -25.1048 -24.8837 -24.8837 7.4250 7.4250 11.9052 11.9052 14.3926 14.3926 14.7657 14.7657 16.8445 16.8445 18.7778 18.7778 20.3024 20.3024 22.2578 22.2578 24.2307 24.2307 k = 0.3309 0.1910 0.5174 ( 646 PWs) bands (ev): -53.9053 -53.9053 -26.0502 -26.0502 -25.1078 -25.1078 -24.8867 -24.8867 7.4440 7.4440 11.9381 11.9381 14.3299 14.3299 14.7318 14.7318 16.8870 16.8870 18.8289 18.8289 20.2976 20.2976 22.2756 22.2756 24.2677 24.2677 k = 0.3382 0.1953 0.5174 ( 646 PWs) bands (ev): -53.9040 -53.9040 -26.0524 -26.0524 -25.1108 -25.1108 -24.8895 -24.8895 7.4629 7.4629 11.9688 11.9688 14.2685 14.2685 14.6992 14.6992 16.9331 16.9331 18.8794 18.8794 20.2916 20.2916 22.2941 22.2941 24.3033 24.3033 k = 0.3456 0.1995 0.5174 ( 646 PWs) bands (ev): -53.9028 -53.9028 -26.0546 -26.0546 -25.1136 -25.1136 -24.8922 -24.8922 7.4816 7.4816 11.9975 11.9975 14.2083 14.2083 14.6676 14.6676 16.9824 16.9824 18.9289 18.9289 20.2843 20.2843 22.3132 22.3132 24.3374 24.3374 k = 0.3529 0.2038 0.5174 ( 646 PWs) bands (ev): -53.9016 -53.9016 -26.0568 -26.0568 -25.1165 -25.1165 -24.8947 -24.8947 7.5000 7.5000 12.0240 12.0240 14.1497 14.1497 14.6374 14.6374 17.0347 17.0347 18.9773 18.9773 20.2757 20.2757 22.3325 22.3325 24.3702 24.3702 k = 0.3603 0.2080 0.5174 ( 646 PWs) bands (ev): -53.9005 -53.9005 -26.0589 -26.0589 -25.1192 -25.1192 -24.8971 -24.8971 7.5181 7.5181 12.0485 12.0485 14.0927 14.0927 14.6085 14.6085 17.0897 17.0897 19.0245 19.0245 20.2657 20.2657 22.3521 22.3521 24.4016 24.4016 k = 0.3676 0.2123 0.5174 ( 646 PWs) bands (ev): -53.8994 -53.8994 -26.0610 -26.0610 -25.1218 -25.1218 -24.8994 -24.8994 7.5359 7.5359 12.0709 12.0709 14.0375 14.0375 14.5809 14.5809 17.1471 17.1471 19.0702 19.0702 20.2544 20.2544 22.3718 22.3718 24.4315 24.4315 k = 0.3750 0.2165 0.5174 ( 646 PWs) bands (ev): -53.8984 -53.8984 -26.0630 -26.0630 -25.1244 -25.1244 -24.9015 -24.9015 7.5532 7.5532 12.0913 12.0913 13.9843 13.9843 14.5546 14.5546 17.2065 17.2065 19.1145 19.1145 20.2417 20.2417 22.3914 22.3914 24.4599 24.4599 k = 0.3824 0.2208 0.5174 ( 646 PWs) bands (ev): -53.8974 -53.8974 -26.0650 -26.0650 -25.1268 -25.1268 -24.9035 -24.9035 7.5700 7.5700 12.1099 12.1099 13.9332 13.9332 14.5296 14.5296 17.2674 17.2674 19.1571 19.1571 20.2278 20.2278 22.4108 22.4108 24.4867 24.4867 k = 0.3897 0.2250 0.5174 ( 646 PWs) bands (ev): -53.8964 -53.8964 -26.0669 -26.0669 -25.1291 -25.1291 -24.9053 -24.9053 7.5862 7.5862 12.1267 12.1267 13.8843 13.8843 14.5061 14.5061 17.3296 17.3296 19.1979 19.1979 20.2126 20.2126 22.4300 22.4300 24.5120 24.5120 k = 0.3971 0.2292 0.5174 ( 642 PWs) bands (ev): -53.8955 -53.8955 -26.0686 -26.0686 -25.1313 -25.1313 -24.9070 -24.9070 7.6019 7.6019 12.1419 12.1419 13.8379 13.8379 14.4840 14.4840 17.3924 17.3924 19.2368 19.2368 20.1963 20.1963 22.4487 22.4487 24.5358 24.5358 k = 0.4044 0.2335 0.5174 ( 644 PWs) bands (ev): -53.8946 -53.8946 -26.0703 -26.0703 -25.1334 -25.1334 -24.9086 -24.9086 7.6168 7.6168 12.1554 12.1554 13.7940 13.7940 14.4633 14.4633 17.4553 17.4553 19.2735 19.2735 20.1789 20.1789 22.4668 22.4668 24.5580 24.5580 k = 0.4118 0.2377 0.5174 ( 644 PWs) bands (ev): -53.8939 -53.8939 -26.0720 -26.0720 -25.1353 -25.1353 -24.9101 -24.9101 7.6309 7.6309 12.1674 12.1674 13.7527 13.7527 14.4441 14.4441 17.5178 17.5178 19.3082 19.3082 20.1608 20.1608 22.4841 22.4841 24.5786 24.5786 k = 0.4191 0.2420 0.5174 ( 648 PWs) bands (ev): -53.8931 -53.8931 -26.0735 -26.0735 -25.1372 -25.1372 -24.9115 -24.9115 7.6441 7.6441 12.1781 12.1781 13.7143 13.7143 14.4262 14.4262 17.5792 17.5792 19.3405 19.3405 20.1419 20.1419 22.5006 22.5006 24.5975 24.5975 k = 0.4265 0.2462 0.5174 ( 644 PWs) bands (ev): -53.8924 -53.8924 -26.0749 -26.0749 -25.1388 -25.1388 -24.9127 -24.9127 7.6565 7.6565 12.1875 12.1875 13.6788 13.6788 14.4099 14.4099 17.6390 17.6390 19.3706 19.3706 20.1228 20.1228 22.5161 22.5161 24.6149 24.6149 k = 0.4338 0.2505 0.5174 ( 644 PWs) bands (ev): -53.8918 -53.8918 -26.0762 -26.0762 -25.1403 -25.1403 -24.9138 -24.9138 7.6678 7.6678 12.1957 12.1957 13.6463 13.6463 14.3952 14.3952 17.6963 17.6963 19.3981 19.3981 20.1035 20.1035 22.5305 22.5305 24.6306 24.6306 k = 0.4412 0.2547 0.5174 ( 644 PWs) bands (ev): -53.8913 -53.8913 -26.0773 -26.0773 -25.1417 -25.1417 -24.9148 -24.9148 7.6782 7.6782 12.2027 12.2027 13.6169 13.6169 14.3819 14.3819 17.7505 17.7505 19.4229 19.4229 20.0845 20.0845 22.5437 22.5437 24.6447 24.6447 k = 0.4485 0.2590 0.5174 ( 644 PWs) bands (ev): -53.8908 -53.8908 -26.0784 -26.0784 -25.1429 -25.1429 -24.9156 -24.9156 7.6875 7.6875 12.2087 12.2087 13.5907 13.5907 14.3702 14.3702 17.8008 17.8008 19.4451 19.4451 20.0660 20.0660 22.5556 22.5556 24.6572 24.6572 k = 0.4559 0.2632 0.5174 ( 640 PWs) bands (ev): -53.8903 -53.8903 -26.0792 -26.0792 -25.1440 -25.1440 -24.9163 -24.9163 7.6956 7.6956 12.2138 12.2138 13.5679 13.5679 14.3601 14.3601 17.8465 17.8465 19.4646 19.4646 20.0487 20.0487 22.5662 22.5662 24.6680 24.6680 k = 0.4632 0.2674 0.5174 ( 640 PWs) bands (ev): -53.8900 -53.8900 -26.0800 -26.0800 -25.1449 -25.1449 -24.9169 -24.9169 7.7026 7.7026 12.2180 12.2180 13.5484 13.5484 14.3514 14.3514 17.8868 17.8868 19.4811 19.4811 20.0330 20.0330 22.5752 22.5752 24.6772 24.6772 k = 0.4706 0.2717 0.5174 ( 640 PWs) bands (ev): -53.8897 -53.8897 -26.0807 -26.0807 -25.1457 -25.1457 -24.9174 -24.9174 7.7084 7.7084 12.2213 12.2213 13.5324 13.5324 14.3444 14.3444 17.9210 17.9210 19.4947 19.4947 20.0193 20.0193 22.5827 22.5827 24.6847 24.6847 k = 0.4779 0.2759 0.5174 ( 636 PWs) bands (ev): -53.8894 -53.8894 -26.0811 -26.0811 -25.1462 -25.1462 -24.9178 -24.9178 7.7129 7.7129 12.2239 12.2239 13.5199 13.5199 14.3389 14.3389 17.9483 17.9483 19.5055 19.5055 20.0081 20.0081 22.5886 22.5886 24.6905 24.6905 k = 0.4853 0.2802 0.5174 ( 636 PWs) bands (ev): -53.8892 -53.8892 -26.0815 -26.0815 -25.1466 -25.1466 -24.9180 -24.9180 7.7161 7.7161 12.2257 12.2257 13.5109 13.5109 14.3349 14.3349 17.9683 17.9683 19.5131 19.5131 19.9997 19.9997 22.5929 22.5929 24.6947 24.6947 k = 0.4926 0.2844 0.5174 ( 632 PWs) bands (ev): -53.8891 -53.8891 -26.0816 -26.0816 -25.1468 -25.1468 -24.9181 -24.9181 7.7181 7.7181 12.2268 12.2268 13.5055 13.5055 14.3326 14.3326 17.9805 17.9805 19.5180 19.5180 19.9947 19.9947 22.5954 22.5954 24.6972 24.6972 k = 0.5000 0.2887 0.5174 ( 632 PWs) bands (ev): -53.8891 -53.8891 -26.0817 -26.0817 -25.1469 -25.1469 -24.9182 -24.9182 7.7187 7.7187 12.2271 12.2271 13.5037 13.5037 14.3318 14.3318 17.9846 17.9846 19.5195 19.5195 19.9929 19.9929 22.5963 22.5963 24.6981 24.6981 k = 0.5000 0.2887 0.5174 ( 632 PWs) bands (ev): -53.8891 -53.8891 -26.0817 -26.0817 -25.1469 -25.1469 -24.9182 -24.9182 7.7187 7.7187 12.2271 12.2271 13.5037 13.5037 14.3318 14.3318 17.9846 17.9846 19.5195 19.5195 19.9929 19.9929 22.5963 22.5963 24.6981 24.6981 k = 0.4957 0.2961 0.5174 ( 632 PWs) bands (ev): -53.8891 -53.8891 -26.0821 -26.0814 -25.1468 -25.1468 -24.9187 -24.9180 7.7193 7.7194 12.2276 12.2280 13.4948 13.4954 14.3399 14.3402 17.9785 17.9834 19.5228 19.5263 19.9922 19.9940 22.5939 22.5960 24.6954 24.6975 k = 0.4915 0.3035 0.5174 ( 636 PWs) bands (ev): -53.8891 -53.8891 -26.0825 -26.0811 -25.1467 -25.1467 -24.9196 -24.9180 7.7211 7.7213 12.2294 12.2303 13.4696 13.4706 14.3636 14.3640 17.9654 17.9750 19.5359 19.5426 19.9917 19.9954 22.5889 22.5931 24.6897 24.6939 k = 0.4872 0.3109 0.5174 ( 636 PWs) bands (ev): -53.8890 -53.8890 -26.0828 -26.0807 -25.1465 -25.1464 -24.9206 -24.9183 7.7242 7.7245 12.2325 12.2339 13.4305 13.4321 14.4003 14.4008 17.9459 17.9599 19.5588 19.5681 19.9917 19.9975 22.5813 22.5875 24.6810 24.6872 k = 0.4829 0.3183 0.5174 ( 640 PWs) bands (ev): -53.8889 -53.8889 -26.0832 -26.0804 -25.1461 -25.1460 -24.9221 -24.9190 7.7285 7.7289 12.2370 12.2388 13.3807 13.3826 14.4470 14.4475 17.9206 17.9387 19.5902 19.6014 19.9922 20.0006 22.5710 22.5793 24.6694 24.6776 k = 0.4786 0.3257 0.5174 ( 640 PWs) bands (ev): -53.8888 -53.8888 -26.0835 -26.0800 -25.1456 -25.1455 -24.9237 -24.9199 7.7340 7.7346 12.2428 12.2451 13.3229 13.3252 14.5010 14.5015 17.8907 17.9123 19.6291 19.6411 19.9937 20.0054 22.5583 22.5686 24.6552 24.6654 k = 0.4744 0.3331 0.5174 ( 640 PWs) bands (ev): -53.8887 -53.8887 -26.0838 -26.0797 -25.1450 -25.1449 -24.9255 -24.9209 7.7407 7.7415 12.2498 12.2525 13.2593 13.2618 14.5601 14.5605 17.8568 17.8816 19.6738 19.6851 19.9968 20.0126 22.5431 22.5553 24.6388 24.6509 k = 0.4701 0.3405 0.5174 ( 644 PWs) bands (ev): -53.8886 -53.8886 -26.0842 -26.0794 -25.1443 -25.1442 -24.9277 -24.9224 7.7487 7.7495 12.2580 12.2611 13.1915 13.1943 14.6224 14.6227 17.8200 17.8475 19.7220 19.7309 20.0029 20.0243 22.5255 22.5397 24.6202 24.6342 k = 0.4658 0.3479 0.5174 ( 644 PWs) bands (ev): -53.8884 -53.8884 -26.0845 -26.0790 -25.1435 -25.1434 -24.9301 -24.9240 7.7577 7.7587 12.2673 12.2709 13.1208 13.1239 14.6869 14.6871 17.7812 17.8110 19.7707 19.7749 20.0142 20.0430 22.5057 22.5217 24.6000 24.6157 k = 0.4615 0.3553 0.5174 ( 640 PWs) bands (ev): -53.8882 -53.8882 -26.0848 -26.0786 -25.1425 -25.1424 -24.9327 -24.9258 7.7680 7.7691 12.2777 12.2818 13.0482 13.0514 14.7527 14.7527 17.7410 17.7728 19.8130 19.8150 20.0348 20.0722 22.4838 22.5016 24.5784 24.5958 k = 0.4573 0.3627 0.5174 ( 638 PWs) bands (ev): -53.8880 -53.8880 -26.0851 -26.0782 -25.1414 -25.1413 -24.9354 -24.9278 7.7793 7.7805 12.2892 12.2937 12.9742 12.9777 14.8188 14.8189 17.7000 17.7336 19.8419 19.8495 20.0691 20.1143 22.4599 22.4794 24.5557 24.5747 k = 0.4530 0.3701 0.5174 ( 638 PWs) bands (ev): -53.8878 -53.8878 -26.0854 -26.0779 -25.1402 -25.1402 -24.9385 -24.9301 7.7916 7.7930 12.3015 12.3064 12.8994 12.9031 14.8848 14.8850 17.6589 17.6940 19.8610 19.8717 20.1191 20.1693 22.4341 22.4553 24.5323 24.5528 k = 0.4487 0.3775 0.5174 ( 638 PWs) bands (ev): -53.8876 -53.8876 -26.0857 -26.0776 -25.1390 -25.1390 -24.9418 -24.9326 7.8050 7.8065 12.3146 12.3199 12.8243 12.8282 14.9503 14.9506 17.6182 17.6546 19.8724 19.8838 20.1821 20.2348 22.4068 22.4295 24.5084 24.5303 k = 0.4444 0.3849 0.5174 ( 638 PWs) bands (ev): -53.8874 -53.8874 -26.0860 -26.0773 -25.1377 -25.1376 -24.9452 -24.9353 7.8193 7.8209 12.3284 12.3342 12.7492 12.7532 15.0149 15.0154 17.5781 17.6157 19.8783 19.8892 20.2541 20.3078 22.3780 22.4022 24.4843 24.5075 k = 0.4402 0.3923 0.5174 ( 638 PWs) bands (ev): -53.8871 -53.8871 -26.0863 -26.0769 -25.1363 -25.1361 -24.9488 -24.9382 7.8346 7.8363 12.3428 12.3490 12.6744 12.6786 15.0785 15.0792 17.5391 17.5777 19.8806 19.8906 20.3320 20.3863 22.3480 22.3736 24.4603 24.4848 k = 0.4359 0.3997 0.5174 ( 638 PWs) bands (ev): -53.8868 -53.8868 -26.0866 -26.0766 -25.1348 -25.1346 -24.9526 -24.9412 7.8506 7.8525 12.3576 12.3642 12.6002 12.6046 15.1407 15.1415 17.5015 17.5410 19.8804 19.8894 20.4140 20.4687 22.3170 22.3439 24.4366 24.4622 k = 0.4316 0.4071 0.5174 ( 638 PWs) bands (ev): -53.8865 -53.8865 -26.0869 -26.0764 -25.1332 -25.1329 -24.9566 -24.9444 7.8675 7.8694 12.3726 12.3797 12.5271 12.5315 15.2013 15.2023 17.4655 17.5058 19.8785 19.8865 20.4989 20.5538 22.2853 22.3134 24.4134 24.4400 k = 0.4274 0.4145 0.5174 ( 638 PWs) bands (ev): -53.8863 -53.8863 -26.0872 -26.0761 -25.1316 -25.1311 -24.9607 -24.9477 7.8850 7.8871 12.3869 12.3947 12.4559 12.4602 15.2602 15.2613 17.4313 17.4723 19.8753 19.8824 20.5858 20.6411 22.2532 22.2824 24.3908 24.4183 k = 0.4231 0.4219 0.5174 ( 638 PWs) bands (ev): -53.8860 -53.8860 -26.0874 -26.0758 -25.1299 -25.1292 -24.9649 -24.9511 7.9031 7.9054 12.3764 12.3830 12.4109 12.4168 15.3170 15.3184 17.3991 17.4408 19.8711 19.8774 20.6740 20.7297 22.2208 22.2510 24.3690 24.3972 k = 0.4188 0.4293 0.5174 ( 638 PWs) bands (ev): -53.8857 -53.8857 -26.0877 -26.0756 -25.1281 -25.1273 -24.9692 -24.9547 7.9218 7.9242 12.3106 12.3162 12.4226 12.4301 15.3718 15.3733 17.3690 17.4113 19.8661 19.8717 20.7632 20.8192 22.1884 22.2196 24.3480 24.3770 k = 0.4145 0.4367 0.5174 ( 638 PWs) bands (ev): -53.8853 -53.8853 -26.0880 -26.0754 -25.1262 -25.1252 -24.9736 -24.9583 7.9409 7.9434 12.2429 12.2485 12.4378 12.4458 15.4244 15.4260 17.3411 17.3840 19.8606 19.8655 20.8527 20.9092 22.1563 22.1884 24.3279 24.3576 k = 0.4103 0.4441 0.5174 ( 634 PWs) bands (ev): -53.8850 -53.8850 -26.0883 -26.0751 -25.1243 -25.1231 -24.9780 -24.9619 7.9604 7.9631 12.1766 12.1823 12.4533 12.4615 15.4746 15.4763 17.3155 17.3590 19.8545 19.8589 20.9423 20.9993 22.1249 22.1577 24.3089 24.3391 k = 0.4060 0.4515 0.5174 ( 630 PWs) bands (ev): -53.8847 -53.8847 -26.0885 -26.0749 -25.1224 -25.1208 -24.9824 -24.9655 7.9800 7.9828 12.1121 12.1179 12.4686 12.4772 15.5222 15.5241 17.2924 17.3365 19.8482 19.8520 21.0315 21.0890 22.0941 22.1277 24.2908 24.3215 k = 0.4017 0.4589 0.5174 ( 630 PWs) bands (ev): -53.8844 -53.8844 -26.0888 -26.0747 -25.1204 -25.1186 -24.9870 -24.9692 7.9997 8.0027 12.0497 12.0557 12.4835 12.4923 15.5673 15.5693 17.2715 17.3161 19.8414 19.8448 21.1199 21.1778 22.0644 22.0986 24.2738 24.3050 k = 0.3974 0.4663 0.5174 ( 630 PWs) bands (ev): -53.8841 -53.8841 -26.0891 -26.0746 -25.1185 -25.1162 -24.9916 -24.9730 8.0194 8.0225 11.9896 11.9958 12.4979 12.5070 15.6096 15.6118 17.2530 17.2981 19.8345 19.8374 21.2070 21.2655 22.0359 22.0707 24.2578 24.2894 k = 0.3932 0.4737 0.5174 ( 630 PWs) bands (ev): -53.8838 -53.8838 -26.0894 -26.0745 -25.1165 -25.1138 -24.9962 -24.9767 8.0389 8.0422 11.9321 11.9384 12.5117 12.5211 15.6492 15.6515 17.2368 17.2824 19.8274 19.8299 21.2924 21.3516 22.0087 22.0441 24.2429 24.2749 k = 0.3889 0.4811 0.5174 ( 630 PWs) bands (ev): -53.8835 -53.8835 -26.0896 -26.0744 -25.1145 -25.1114 -25.0007 -24.9803 8.0581 8.0615 11.8772 11.8837 12.5249 12.5345 15.6860 15.6883 17.2229 17.2689 19.8203 19.8223 21.3758 21.4355 21.9832 22.0190 24.2291 24.2613 k = 0.3846 0.4885 0.5174 ( 630 PWs) bands (ev): -53.8832 -53.8832 -26.0899 -26.0743 -25.1126 -25.1089 -25.0052 -24.9839 8.0768 8.0803 11.8253 11.8320 12.5373 12.5472 15.7198 15.7223 17.2112 17.2576 19.8132 19.8148 21.4565 21.5170 21.9593 21.9956 24.2163 24.2489 k = 0.3803 0.4959 0.5174 ( 630 PWs) bands (ev): -53.8829 -53.8829 -26.0902 -26.0742 -25.1107 -25.1064 -25.0096 -24.9874 8.0949 8.0985 11.7766 11.7834 12.5489 12.5589 15.7508 15.7534 17.2016 17.2484 19.8062 19.8074 21.5342 21.5953 21.9374 21.9740 24.2046 24.2374 k = 0.3761 0.5033 0.5174 ( 634 PWs) bands (ev): -53.8827 -53.8827 -26.0905 -26.0742 -25.1089 -25.1039 -25.0140 -24.9907 8.1121 8.1159 11.7311 11.7381 12.5596 12.5698 15.7788 15.7815 17.1938 17.2410 19.7992 19.8002 21.6083 21.6700 21.9173 21.9542 24.1940 24.2269 k = 0.3718 0.5107 0.5174 ( 634 PWs) bands (ev): -53.8824 -53.8824 -26.0907 -26.0742 -25.1071 -25.1014 -25.0182 -24.9939 8.1285 8.1324 11.6892 11.6963 12.5693 12.5797 15.8039 15.8066 17.1879 17.2355 19.7926 19.7933 21.6781 21.7405 21.8992 21.9365 24.1844 24.2175 k = 0.3675 0.5181 0.5174 ( 638 PWs) bands (ev): -53.8822 -53.8822 -26.0910 -26.0742 -25.1055 -25.0990 -25.0222 -24.9968 8.1436 8.1476 11.6510 11.6582 12.5781 12.5886 15.8260 15.8288 17.1836 17.2316 19.7863 19.7867 21.7431 21.8062 21.8832 21.9207 24.1758 24.2091 k = 0.3632 0.5255 0.5174 ( 638 PWs) bands (ev): -53.8820 -53.8820 -26.0912 -26.0742 -25.1039 -25.0966 -25.0260 -24.9995 8.1575 8.1616 11.6168 11.6241 12.5858 12.5965 15.8453 15.8481 17.1808 17.2291 19.7805 19.7806 21.8027 21.8663 21.8693 21.9071 24.1683 24.2017 k = 0.3590 0.5329 0.5174 ( 638 PWs) bands (ev): -53.8818 -53.8818 -26.0914 -26.0742 -25.1025 -25.0943 -25.0295 -25.0019 8.1700 8.1742 11.5866 11.5941 12.5926 12.6033 15.8617 15.8646 17.1792 17.2277 19.7750 19.7751 21.8554 21.8583 21.8950 21.9209 24.1617 24.1953 k = 0.3547 0.5403 0.5174 ( 636 PWs) bands (ev): -53.8817 -53.8817 -26.0916 -26.0742 -25.1012 -25.0921 -25.0327 -25.0040 8.1809 8.1851 11.5608 11.5683 12.5983 12.6091 15.8753 15.8783 17.1786 17.2274 19.7702 19.7705 21.8476 21.8855 21.9031 21.9681 24.1562 24.1899 k = 0.3504 0.5477 0.5174 ( 636 PWs) bands (ev): -53.8815 -53.8815 -26.0917 -26.0743 -25.1002 -25.0902 -25.0355 -25.0058 8.1900 8.1943 11.5393 11.5469 12.6029 12.6138 15.8863 15.8892 17.1786 17.2276 19.7660 19.7665 21.8398 21.8778 21.9425 22.0080 24.1518 24.1855 k = 0.3462 0.5551 0.5174 ( 636 PWs) bands (ev): -53.8814 -53.8814 -26.0919 -26.0743 -25.0994 -25.0886 -25.0379 -25.0072 8.1973 8.2017 11.5225 11.5302 12.6065 12.6175 15.8945 15.8975 17.1791 17.2283 19.7626 19.7632 21.8339 21.8721 21.9739 22.0398 24.1483 24.1821 k = 0.3419 0.5625 0.5174 ( 636 PWs) bands (ev): -53.8814 -53.8814 -26.0920 -26.0743 -25.0988 -25.0873 -25.0396 -25.0083 8.2026 8.2070 11.5103 11.5181 12.6090 12.6201 15.9003 15.9033 17.1798 17.2291 19.7600 19.7607 21.8298 21.8681 21.9968 22.0630 24.1458 24.1797 k = 0.3376 0.5699 0.5174 ( 636 PWs) bands (ev): -53.8813 -53.8813 -26.0920 -26.0744 -25.0984 -25.0866 -25.0407 -25.0089 8.2058 8.2103 11.5030 11.5108 12.6106 12.6216 15.9037 15.9067 17.1804 17.2298 19.7585 19.7592 21.8275 21.8658 22.0107 22.0771 24.1444 24.1783 k = 0.3333 0.5774 0.5174 ( 636 PWs) bands (ev): -53.8813 -53.8813 -26.0921 -26.0744 -25.0983 -25.0863 -25.0410 -25.0091 8.2069 8.2114 11.5005 11.5083 12.6111 12.6221 15.9048 15.9078 17.1807 17.2301 19.7579 19.7587 21.8267 21.8651 22.0154 22.0819 24.1439 24.1778 k = 0.3333 0.5774 0.5174 ( 636 PWs) bands (ev): -53.8813 -53.8813 -26.0921 -26.0744 -25.0983 -25.0863 -25.0410 -25.0091 8.2069 8.2114 11.5005 11.5083 12.6111 12.6221 15.9048 15.9078 17.1807 17.2301 19.7579 19.7587 21.8267 21.8651 22.0154 22.0819 24.1439 24.1778 k = 0.3291 0.5699 0.5174 ( 636 PWs) bands (ev): -53.8813 -53.8813 -26.0920 -26.0743 -25.0984 -25.0866 -25.0407 -25.0089 8.2058 8.2102 11.5030 11.5108 12.6106 12.6216 15.9037 15.9067 17.1803 17.2298 19.7585 19.7592 21.8274 21.8657 22.0107 22.0771 24.1444 24.1783 k = 0.3248 0.5625 0.5174 ( 636 PWs) bands (ev): -53.8814 -53.8814 -26.0920 -26.0743 -25.0988 -25.0873 -25.0397 -25.0083 8.2025 8.2069 11.5104 11.5182 12.6091 12.6201 15.9007 15.9037 17.1791 17.2284 19.7602 19.7609 21.8295 21.8677 21.9965 22.0627 24.1458 24.1797 k = 0.3205 0.5551 0.5174 ( 640 PWs) bands (ev): -53.8815 -53.8815 -26.0919 -26.0743 -25.0993 -25.0884 -25.0381 -25.0074 8.1970 8.2014 11.5227 11.5304 12.6067 12.6176 15.8958 15.8988 17.1767 17.2259 19.7629 19.7635 21.8326 21.8708 21.9729 22.0387 24.1482 24.1820 k = 0.3162 0.5477 0.5174 ( 632 PWs) bands (ev): -53.8816 -53.8816 -26.0916 -26.0741 -25.0999 -25.0896 -25.0359 -25.0059 8.1894 8.1938 11.5400 11.5477 12.6034 12.6143 15.8892 15.8922 17.1733 17.2222 19.7670 19.7674 21.8368 21.8749 21.9405 22.0058 24.1515 24.1852 k = 0.3120 0.5403 0.5174 ( 632 PWs) bands (ev): -53.8817 -53.8817 -26.0914 -26.0740 -25.1007 -25.0912 -25.0333 -25.0043 8.1796 8.1839 11.5621 11.5696 12.5991 12.6100 15.8810 15.8840 17.1681 17.2168 19.7722 19.7724 21.8417 21.8798 21.8995 21.9641 24.1556 24.1892 k = 0.3077 0.5329 0.5174 ( 632 PWs) bands (ev): -53.8819 -53.8819 -26.0911 -26.0739 -25.1016 -25.0929 -25.0305 -25.0023 8.1678 8.1720 11.5888 11.5963 12.5940 12.6048 15.8715 15.8744 17.1613 17.2096 19.7784 19.7785 21.8449 21.8527 21.8850 21.9145 24.1605 24.1940 k = 0.3034 0.5255 0.5174 ( 632 PWs) bands (ev): -53.8822 -53.8822 -26.0907 -26.0737 -25.1026 -25.0945 -25.0273 -25.0001 8.1540 8.1581 11.6202 11.6276 12.5880 12.5987 15.8608 15.8637 17.1527 17.2006 19.7855 19.7857 21.7933 21.8541 21.8564 21.8918 24.1662 24.1996 k = 0.2991 0.5181 0.5174 ( 632 PWs) bands (ev): -53.8825 -53.8825 -26.0903 -26.0735 -25.1036 -25.0962 -25.0240 -24.9976 8.1384 8.1424 11.6561 11.6633 12.5811 12.5917 15.8489 15.8518 17.1422 17.1896 19.7934 19.7939 21.7301 21.7925 21.8605 21.8980 24.1726 24.2058 k = 0.2949 0.5107 0.5174 ( 632 PWs) bands (ev): -53.8828 -53.8828 -26.0898 -26.0732 -25.1046 -25.0978 -25.0205 -24.9950 8.1211 8.1249 11.6963 11.7034 12.5733 12.5838 15.8362 15.8390 17.1297 17.1766 19.8021 19.8029 21.6610 21.7225 21.8673 21.9046 24.1795 24.2126 k = 0.2906 0.5033 0.5174 ( 632 PWs) bands (ev): -53.8832 -53.8832 -26.0892 -26.0728 -25.1056 -25.0994 -25.0168 -24.9921 8.1021 8.1059 11.7407 11.7476 12.5647 12.5750 15.8227 15.8255 17.1153 17.1616 19.8114 19.8126 21.5868 21.6472 21.8742 21.9112 24.1870 24.2199 k = 0.2863 0.4959 0.5174 ( 632 PWs) bands (ev): -53.8836 -53.8836 -26.0885 -26.0724 -25.1066 -25.1008 -25.0130 -24.9890 8.0817 8.0854 11.7891 11.7958 12.5552 12.5654 15.8085 15.8113 17.0988 17.1444 19.8211 19.8226 21.5082 21.5676 21.8811 21.9179 24.1950 24.2277 k = 0.2821 0.4885 0.5174 ( 636 PWs) bands (ev): -53.8841 -53.8841 -26.0878 -26.0720 -25.1076 -25.1021 -25.0092 -24.9859 8.0600 8.0635 11.8412 11.8477 12.5447 12.5548 15.7939 15.7967 17.0804 17.1253 19.8308 19.8327 21.4260 21.4844 21.8879 21.9243 24.2031 24.2356 k = 0.2778 0.4811 0.5174 ( 636 PWs) bands (ev): -53.8846 -53.8846 -26.0869 -26.0714 -25.1084 -25.1033 -25.0052 -24.9826 8.0371 8.0404 11.8970 11.9034 12.5334 12.5434 15.7790 15.7818 17.0601 17.1042 19.8406 19.8428 21.3412 21.3984 21.8944 21.9306 24.2115 24.2438 k = 0.2735 0.4737 0.5174 ( 636 PWs) bands (ev): -53.8852 -53.8852 -26.0860 -26.0708 -25.1091 -25.1043 -25.0011 -24.9791 8.0132 8.0164 11.9564 11.9626 12.5212 12.5310 15.7639 15.7667 17.0380 17.0813 19.8500 19.8525 21.2544 21.3105 21.9007 21.9366 24.2200 24.2520 k = 0.2692 0.4663 0.5174 ( 636 PWs) bands (ev): -53.8858 -53.8858 -26.0850 -26.0701 -25.1097 -25.1051 -24.9969 -24.9756 7.9883 7.9914 12.0190 12.0250 12.5080 12.5176 15.7487 15.7515 17.0142 17.0567 19.8585 19.8612 21.1665 21.2214 21.9067 21.9422 24.2283 24.2601 k = 0.2650 0.4589 0.5174 ( 636 PWs) bands (ev): -53.8865 -53.8865 -26.0838 -26.0694 -25.1102 -25.1058 -24.9927 -24.9719 7.9627 7.9657 12.0848 12.0906 12.4937 12.5032 15.7336 15.7364 16.9890 17.0306 19.8658 19.8687 21.0783 21.1319 21.9122 21.9473 24.2364 24.2679 k = 0.2607 0.4515 0.5174 ( 640 PWs) bands (ev): -53.8872 -53.8872 -26.0827 -26.0686 -25.1107 -25.1064 -24.9884 -24.9682 7.9364 7.9392 12.1535 12.1590 12.4784 12.4877 15.7187 15.7215 16.9623 17.0030 19.8712 19.8742 20.9908 21.0429 21.9172 21.9520 24.2440 24.2752 k = 0.2564 0.4441 0.5174 ( 638 PWs) bands (ev): -53.8879 -53.8879 -26.0814 -26.0676 -25.1109 -25.1068 -24.9841 -24.9644 7.9096 7.9123 12.2249 12.2302 12.4620 12.4712 15.7041 15.7069 16.9346 16.9744 19.8743 19.8772 20.9048 20.9553 21.9218 21.9562 24.2511 24.2820 k = 0.2521 0.4367 0.5174 ( 638 PWs) bands (ev): -53.8887 -53.8887 -26.0800 -26.0666 -25.1110 -25.1070 -24.9797 -24.9605 7.8823 7.8849 12.2989 12.3039 12.4445 12.4536 15.6899 15.6927 16.9059 16.9448 19.8741 19.8766 20.8216 20.8702 21.9259 21.9600 24.2574 24.2880 k = 0.2479 0.4293 0.5174 ( 642 PWs) bands (ev): -53.8896 -53.8896 -26.0785 -26.0656 -25.1110 -25.1071 -24.9753 -24.9566 7.8548 7.8572 12.3750 12.3793 12.4260 12.4354 15.6762 15.6790 16.8764 16.9143 19.8696 19.8714 20.7422 20.7888 21.9295 21.9632 24.2628 24.2931 k = 0.2436 0.4219 0.5174 ( 642 PWs) bands (ev): -53.8905 -53.8905 -26.0770 -26.0644 -25.1109 -25.1069 -24.9708 -24.9526 7.8270 7.8293 12.4048 12.4120 12.4549 12.4609 15.6631 15.6659 16.8466 16.8835 19.8598 19.8605 20.6682 20.7122 21.9327 21.9660 24.2670 24.2970 k = 0.2393 0.4145 0.5174 ( 642 PWs) bands (ev): -53.8914 -53.8914 -26.0753 -26.0632 -25.1106 -25.1067 -24.9662 -24.9486 7.7990 7.8012 12.3837 12.3915 12.5354 12.5404 15.6507 15.6535 16.8165 16.8524 19.8425 19.8435 20.6011 20.6420 21.9354 21.9683 24.2700 24.2996 k = 0.2350 0.4071 0.5174 ( 642 PWs) bands (ev): -53.8924 -53.8924 -26.0736 -26.0619 -25.1101 -25.1062 -24.9616 -24.9445 7.7710 7.7731 12.3609 12.3685 12.6182 12.6228 15.6390 15.6420 16.7864 16.8213 19.8162 19.8194 20.5420 20.5794 21.9377 21.9701 24.2715 24.3008 k = 0.2308 0.3997 0.5174 ( 642 PWs) bands (ev): -53.8934 -53.8934 -26.0718 -26.0605 -25.1095 -25.1056 -24.9570 -24.9403 7.7431 7.7450 12.3365 12.3440 12.7028 12.7072 15.6283 15.6312 16.7566 16.7905 19.7808 19.7867 20.4921 20.5254 21.9396 21.9716 24.2713 24.3003 k = 0.2265 0.3923 0.5174 ( 646 PWs) bands (ev): -53.8945 -53.8945 -26.0699 -26.0591 -25.1088 -25.1049 -24.9524 -24.9362 7.7151 7.7169 12.3106 12.3179 12.7891 12.7932 15.6184 15.6214 16.7272 16.7602 19.7359 19.7446 20.4514 20.4806 21.9411 21.9728 24.2694 24.2981 k = 0.2222 0.3849 0.5174 ( 646 PWs) bands (ev): -53.8956 -53.8956 -26.0680 -26.0576 -25.1079 -25.1041 -24.9476 -24.9319 7.6873 7.6890 12.2830 12.2901 12.8769 12.8808 15.6095 15.6126 16.6986 16.7306 19.6825 19.6941 20.4197 20.4447 21.9424 21.9736 24.2656 24.2939 k = 0.2179 0.3775 0.5174 ( 642 PWs) bands (ev): -53.8967 -53.8967 -26.0659 -26.0559 -25.1069 -25.1029 -24.9429 -24.9276 7.6598 7.6614 12.2538 12.2607 12.9661 12.9698 15.6017 15.6049 16.6710 16.7020 19.6218 19.6360 20.3957 20.4168 21.9434 21.9743 24.2597 24.2877 k = 0.2137 0.3701 0.5174 ( 642 PWs) bands (ev): -53.8979 -53.8979 -26.0638 -26.0543 -25.1057 -25.1018 -24.9381 -24.9233 7.6324 7.6339 12.2229 12.2295 13.0565 13.0600 15.5950 15.5982 16.6446 16.6747 19.5549 19.5713 20.3779 20.3956 21.9443 21.9748 24.2517 24.2793 k = 0.2094 0.3627 0.5174 ( 642 PWs) bands (ev): -53.8991 -53.8991 -26.0617 -26.0526 -25.1044 -25.1005 -24.9332 -24.9189 7.6054 7.6068 12.1902 12.1966 13.1481 13.1513 15.5894 15.5927 16.6196 16.6487 19.4835 19.5015 20.3649 20.3798 21.9451 21.9752 24.2414 24.2687 k = 0.2051 0.3553 0.5174 ( 642 PWs) bands (ev): -53.9003 -53.9003 -26.0595 -26.0508 -25.1029 -25.0990 -24.9284 -24.9145 7.5786 7.5799 12.1558 12.1619 13.2406 13.2435 15.5850 15.5884 16.5963 16.6244 19.4089 19.4282 20.3556 20.3680 21.9459 21.9756 24.2287 24.2557 k = 0.2009 0.3479 0.5174 ( 646 PWs) bands (ev): -53.9016 -53.9016 -26.0573 -26.0491 -25.1014 -25.0975 -24.9235 -24.9102 7.5522 7.5535 12.1195 12.1254 13.3339 13.3366 15.5818 15.5854 16.5746 16.6018 19.3321 19.3521 20.3487 20.3591 21.9467 21.9760 24.2137 24.2403 k = 0.1966 0.3405 0.5174 ( 648 PWs) bands (ev): -53.9030 -53.9030 -26.0551 -26.0472 -25.0998 -25.0959 -24.9186 -24.9057 7.5262 7.5273 12.0815 12.0871 13.4279 13.4303 15.5799 15.5835 16.5550 16.5813 19.2541 19.2747 20.3436 20.3523 21.9477 21.9766 24.1962 24.2225 k = 0.1923 0.3331 0.5174 ( 648 PWs) bands (ev): -53.9043 -53.9043 -26.0528 -26.0454 -25.0980 -25.0941 -24.9136 -24.9012 7.5006 7.5017 12.0416 12.0470 13.5225 13.5246 15.5793 15.5831 16.5375 16.5629 19.1757 19.1965 20.3396 20.3470 21.9488 21.9773 24.1762 24.2022 k = 0.1880 0.3257 0.5174 ( 648 PWs) bands (ev): -53.9056 -53.9056 -26.0505 -26.0435 -25.0960 -25.0922 -24.9086 -24.8967 7.4755 7.4765 12.0000 12.0052 13.6174 13.6193 15.5799 15.5839 16.5223 16.5467 19.0971 19.1180 20.3362 20.3425 21.9502 21.9784 24.1538 24.1794 k = 0.1838 0.3183 0.5174 ( 648 PWs) bands (ev): -53.9070 -53.9070 -26.0481 -26.0415 -25.0940 -25.0902 -24.9035 -24.8921 7.4508 7.4518 11.9567 11.9616 13.7127 13.7143 15.5819 15.5860 16.5094 16.5329 19.0189 19.0397 20.3332 20.3386 21.9520 21.9798 24.1289 24.1542 k = 0.1795 0.3109 0.5174 ( 648 PWs) bands (ev): -53.9084 -53.9084 -26.0458 -26.0396 -25.0919 -25.0881 -24.8985 -24.8876 7.4267 7.4275 11.9118 11.9164 13.8081 13.8094 15.5852 15.5895 16.4989 16.5216 18.9413 18.9619 20.3302 20.3348 21.9542 21.9816 24.1015 24.1265 k = 0.1752 0.3035 0.5174 ( 648 PWs) bands (ev): -53.9099 -53.9099 -26.0434 -26.0376 -25.0896 -25.0859 -24.8934 -24.8829 7.4030 7.4038 11.8652 11.8696 13.9035 13.9045 15.5899 15.5943 16.4909 16.5128 18.8646 18.8848 20.3271 20.3310 21.9568 21.9839 24.0718 24.0964 k = 0.1709 0.2961 0.5174 ( 648 PWs) bands (ev): -53.9113 -53.9113 -26.0411 -26.0356 -25.0873 -25.0837 -24.8882 -24.8783 7.3798 7.3805 11.8172 11.8213 13.9987 13.9994 15.5958 15.6004 16.4855 16.5066 18.7889 18.8087 20.3237 20.3271 21.9601 21.9868 24.0398 24.0640 k = 0.1667 0.2887 0.5174 ( 648 PWs) bands (ev): -53.9127 -53.9127 -26.0388 -26.0336 -25.0849 -25.0814 -24.8830 -24.8736 7.3571 7.3578 11.7678 11.7717 14.0936 14.0940 15.6031 15.6079 16.4827 16.5030 18.7144 18.7338 20.3200 20.3228 21.9640 21.9902 24.0055 24.0294 k = 0.1624 0.2813 0.5174 ( 648 PWs) bands (ev): -53.9142 -53.9142 -26.0364 -26.0317 -25.0825 -25.0790 -24.8778 -24.8689 7.3350 7.3356 11.7170 11.7207 14.1882 14.1882 15.6117 15.6166 16.4823 16.5018 18.6412 18.6601 20.3157 20.3182 21.9686 21.9945 23.9690 23.9926 k = 0.1581 0.2739 0.5174 ( 650 PWs) bands (ev): -53.9157 -53.9157 -26.0342 -26.0297 -25.0800 -25.0766 -24.8726 -24.8642 7.3134 7.3140 11.6651 11.6686 14.2818 14.2821 15.6215 15.6267 16.4845 16.5032 18.5695 18.5879 20.3110 20.3131 21.9739 21.9994 23.9305 23.9537 k = 0.1538 0.2665 0.5174 ( 650 PWs) bands (ev): -53.9172 -53.9172 -26.0319 -26.0278 -25.0774 -25.0742 -24.8674 -24.8594 7.2924 7.2929 11.6122 11.6154 14.3747 14.3754 15.6327 15.6380 16.4891 16.5071 18.4992 18.5171 20.3058 20.3076 21.9801 22.0052 23.8902 23.9130 k = 0.1496 0.2591 0.5174 ( 650 PWs) bands (ev): -53.9186 -53.9186 -26.0297 -26.0259 -25.0748 -25.0717 -24.8622 -24.8547 7.2719 7.2724 11.5584 11.5614 14.4668 14.4678 15.6451 15.6506 16.4962 16.5135 18.4305 18.4477 20.3000 20.3015 21.9872 22.0119 23.8480 23.8705 k = 0.1453 0.2517 0.5174 ( 652 PWs) bands (ev): -53.9201 -53.9201 -26.0275 -26.0240 -25.0722 -25.0692 -24.8569 -24.8499 7.2520 7.2524 11.5038 11.5066 14.5578 14.5592 15.6587 15.6645 16.5057 16.5223 18.3633 18.3800 20.2935 20.2948 21.9952 22.0195 23.8042 23.8263 k = 0.1410 0.2443 0.5174 ( 648 PWs) bands (ev): -53.9216 -53.9216 -26.0253 -26.0221 -25.0695 -25.0666 -24.8516 -24.8450 7.2327 7.2331 11.4487 11.4513 14.6478 14.6496 15.6735 15.6795 16.5175 16.5334 18.2979 18.3139 20.2866 20.2877 22.0043 22.0282 23.7589 23.7806 k = 0.1368 0.2369 0.5174 ( 648 PWs) bands (ev): -53.9230 -53.9230 -26.0232 -26.0202 -25.0668 -25.0641 -24.8463 -24.8402 7.2139 7.2142 11.3932 11.3956 14.7364 14.7386 15.6894 15.6956 16.5314 16.5466 18.2341 18.2496 20.2791 20.2801 22.0143 22.0378 23.7123 23.7336 k = 0.1325 0.2295 0.5174 ( 648 PWs) bands (ev): -53.9245 -53.9245 -26.0211 -26.0184 -25.0641 -25.0616 -24.8411 -24.8354 7.1957 7.1960 11.3374 11.3396 14.8236 14.8262 15.7063 15.7128 16.5473 16.5619 18.1720 18.1869 20.2711 20.2719 22.0254 22.0484 23.6644 23.6854 k = 0.1282 0.2221 0.5174 ( 648 PWs) bands (ev): -53.9260 -53.9260 -26.0191 -26.0167 -25.0614 -25.0591 -24.8358 -24.8306 7.1780 7.1783 11.2815 11.2835 14.9092 14.9122 15.7243 15.7310 16.5652 16.5792 18.1117 18.1260 20.2626 20.2632 22.0376 22.0601 23.6156 23.6361 k = 0.1239 0.2147 0.5174 ( 648 PWs) bands (ev): -53.9274 -53.9274 -26.0172 -26.0150 -25.0588 -25.0565 -24.8306 -24.8258 7.1609 7.1612 11.2257 11.2276 14.9931 14.9965 15.7433 15.7502 16.5847 16.5981 18.0532 18.0669 20.2535 20.2541 22.0509 22.0730 23.5660 23.5861 k = 0.1197 0.2073 0.5174 ( 652 PWs) bands (ev): -53.9288 -53.9288 -26.0154 -26.0134 -25.0562 -25.0541 -24.8255 -24.8211 7.1444 7.1447 11.1701 11.1718 15.0752 15.0790 15.7629 15.7701 16.6060 16.6188 17.9964 18.0096 20.2440 20.2445 22.0652 22.0868 23.5156 23.5353 k = 0.1154 0.1999 0.5174 ( 656 PWs) bands (ev): -53.9302 -53.9302 -26.0136 -26.0118 -25.0537 -25.0517 -24.8204 -24.8163 7.1284 7.1287 11.1150 11.1165 15.1552 15.1595 15.7834 15.7909 16.6287 16.6410 17.9415 17.9541 20.2341 20.2345 22.0806 22.1016 23.4648 23.4840 k = 0.1111 0.1925 0.5174 ( 652 PWs) bands (ev): -53.9316 -53.9316 -26.0119 -26.0102 -25.0510 -25.0493 -24.8152 -24.8116 7.1131 7.1133 11.0604 11.0617 15.2332 15.2379 15.8049 15.8125 16.6529 16.6646 17.8886 17.9006 20.2238 20.2242 22.0971 22.1176 23.4137 23.4325 k = 0.1068 0.1850 0.5174 ( 652 PWs) bands (ev): -53.9330 -53.9330 -26.0102 -26.0088 -25.0485 -25.0469 -24.8102 -24.8069 7.0984 7.0985 11.0065 11.0077 15.3089 15.3140 15.8269 15.8348 16.6783 16.6894 17.8375 17.8490 20.2132 20.2135 22.1146 22.1346 23.3624 23.3808 k = 0.1026 0.1776 0.5174 ( 648 PWs) bands (ev): -53.9343 -53.9343 -26.0085 -26.0073 -25.0460 -25.0445 -24.8052 -24.8022 7.0842 7.0844 10.9535 10.9546 15.3823 15.3878 15.8496 15.8578 16.7046 16.7152 17.7883 17.7992 20.2023 20.2026 22.1332 22.1526 23.3113 23.3291 k = 0.0983 0.1702 0.5174 ( 652 PWs) bands (ev): -53.9356 -53.9356 -26.0071 -26.0059 -25.0437 -25.0424 -24.8003 -24.7977 7.0706 7.0707 10.9015 10.9025 15.4531 15.4591 15.8726 15.8810 16.7318 16.7418 17.7408 17.7512 20.1911 20.1913 22.1526 22.1714 23.2603 23.2777 k = 0.0940 0.1628 0.5174 ( 652 PWs) bands (ev): -53.9368 -53.9368 -26.0056 -26.0046 -25.0414 -25.0402 -24.7955 -24.7932 7.0575 7.0576 10.8507 10.8515 15.5214 15.5279 15.8961 15.9047 16.7596 16.7692 17.6954 17.7053 20.1797 20.1799 22.1729 22.1911 23.2098 23.2267 k = 0.0897 0.1554 0.5174 ( 652 PWs) bands (ev): -53.9381 -53.9381 -26.0042 -26.0034 -25.0391 -25.0381 -24.7908 -24.7888 7.0451 7.0452 10.8011 10.8019 15.5870 15.5939 15.9198 15.9287 16.7880 16.7970 17.6520 17.6613 20.1682 20.1683 22.1939 22.2115 23.1599 23.1763 k = 0.0855 0.1480 0.5174 ( 652 PWs) bands (ev): -53.9392 -53.9392 -26.0029 -26.0022 -25.0369 -25.0360 -24.7862 -24.7845 7.0332 7.0333 10.7530 10.7536 15.6499 15.6571 15.9438 15.9528 16.8167 16.8252 17.6105 17.6193 20.1565 20.1566 22.2156 22.2325 23.1108 23.1266 k = 0.0812 0.1406 0.5174 ( 652 PWs) bands (ev): -53.9404 -53.9404 -26.0017 -26.0011 -25.0349 -25.0340 -24.7818 -24.7802 7.0219 7.0219 10.7064 10.7070 15.7099 15.7175 15.9678 15.9770 16.8455 16.8535 17.5710 17.5793 20.1448 20.1449 22.2379 22.2541 23.0627 23.0779 k = 0.0769 0.1332 0.5174 ( 652 PWs) bands (ev): -53.9415 -53.9415 -26.0006 -26.0000 -25.0329 -25.0322 -24.7775 -24.7761 7.0111 7.0112 10.6615 10.6620 15.7669 15.7749 15.9917 16.0011 16.8742 16.8818 17.5335 17.5413 20.1331 20.1331 22.2605 22.2760 23.0158 23.0304 k = 0.0726 0.1258 0.5174 ( 652 PWs) bands (ev): -53.9426 -53.9426 -25.9995 -25.9990 -25.0309 -25.0303 -24.7733 -24.7721 7.0010 7.0010 10.6184 10.6188 15.8210 15.8292 16.0155 16.0250 16.9028 16.9099 17.4980 17.5053 20.1215 20.1215 22.2835 22.2983 22.9701 22.9841 k = 0.0684 0.1184 0.5174 ( 652 PWs) bands (ev): -53.9436 -53.9436 -25.9985 -25.9981 -25.0291 -25.0286 -24.7692 -24.7683 6.9914 6.9914 10.5772 10.5776 15.8720 15.8805 16.0390 16.0486 16.9309 16.9375 17.4645 17.4713 20.1100 20.1100 22.3065 22.3206 22.9260 22.9394 k = 0.0641 0.1110 0.5174 ( 652 PWs) bands (ev): -53.9445 -53.9445 -25.9975 -25.9972 -25.0274 -25.0270 -24.7654 -24.7646 6.9824 6.9824 10.5380 10.5383 15.9198 15.9286 16.0621 16.0718 16.9583 16.9646 17.4331 17.4395 20.0987 20.0987 22.3295 22.3428 22.8836 22.8963 k = 0.0598 0.1036 0.5174 ( 652 PWs) bands (ev): -53.9454 -53.9454 -25.9966 -25.9964 -25.0258 -25.0255 -24.7617 -24.7611 6.9740 6.9740 10.5009 10.5011 15.9646 15.9734 16.0848 16.0944 16.9850 16.9908 17.4038 17.4096 20.0876 20.0876 22.3523 22.3648 22.8431 22.8551 k = 0.0556 0.0962 0.5174 ( 648 PWs) bands (ev): -53.9463 -53.9463 -25.9958 -25.9956 -25.0243 -25.0240 -24.7582 -24.7577 6.9662 6.9662 10.4659 10.4661 16.0061 16.0150 16.1068 16.1163 17.0109 17.0162 17.3766 17.3820 20.0771 20.0771 22.3747 22.3864 22.8046 22.8158 k = 0.0513 0.0888 0.5174 ( 652 PWs) bands (ev): -53.9471 -53.9471 -25.9951 -25.9949 -25.0229 -25.0227 -24.7550 -24.7546 6.9589 6.9589 10.4332 10.4334 16.0444 16.0531 16.1280 16.1373 17.0353 17.0402 17.3514 17.3564 20.0668 20.0668 22.3965 22.4073 22.7682 22.7787 k = 0.0470 0.0814 0.5174 ( 652 PWs) bands (ev): -53.9478 -53.9478 -25.9944 -25.9943 -25.0216 -25.0214 -24.7520 -24.7517 6.9522 6.9522 10.4029 10.4030 16.0795 16.0880 16.1485 16.1574 17.0584 17.0628 17.3285 17.3330 20.0570 20.0570 22.4175 22.4275 22.7342 22.7439 k = 0.0427 0.0740 0.5174 ( 652 PWs) bands (ev): -53.9485 -53.9485 -25.9938 -25.9937 -25.0204 -25.0203 -24.7492 -24.7489 6.9461 6.9461 10.3749 10.3750 16.1114 16.1194 16.1680 16.1764 17.0799 17.0838 17.3078 17.3118 20.0477 20.0477 22.4375 22.4466 22.7027 22.7116 k = 0.0385 0.0666 0.5174 ( 652 PWs) bands (ev): -53.9491 -53.9491 -25.9932 -25.9932 -25.0194 -25.0193 -24.7466 -24.7464 6.9406 6.9406 10.3495 10.3495 16.1400 16.1474 16.1866 16.1942 17.0996 17.1030 17.2894 17.2929 20.0391 20.0391 22.4563 22.4645 22.6738 22.6819 k = 0.0342 0.0592 0.5174 ( 656 PWs) bands (ev): -53.9497 -53.9497 -25.9928 -25.9928 -25.0185 -25.0184 -24.7444 -24.7442 6.9356 6.9356 10.3265 10.3266 16.1652 16.1716 16.2042 16.2107 17.1170 17.1200 17.2735 17.2765 20.0312 20.0312 22.4737 22.4810 22.6477 22.6549 k = 0.0299 0.0518 0.5174 ( 656 PWs) bands (ev): -53.9502 -53.9502 -25.9924 -25.9924 -25.0176 -25.0176 -24.7423 -24.7422 6.9313 6.9313 10.3062 10.3062 16.1873 16.1925 16.2206 16.2259 17.1322 17.1346 17.2602 17.2626 20.0240 20.0240 22.4895 22.4959 22.6245 22.6308 k = 0.0256 0.0444 0.5174 ( 656 PWs) bands (ev): -53.9506 -53.9506 -25.9920 -25.9920 -25.0169 -25.0168 -24.7405 -24.7404 6.9275 6.9275 10.2884 10.2884 16.2061 16.2099 16.2357 16.2395 17.1447 17.1466 17.2496 17.2515 20.0177 20.0177 22.5036 22.5091 22.6043 22.6098 k = 0.0214 0.0370 0.5174 ( 660 PWs) bands (ev): -53.9510 -53.9510 -25.9918 -25.9917 -25.0163 -25.0163 -24.7390 -24.7390 6.9243 6.9243 10.2733 10.2734 16.2217 16.2241 16.2490 16.2514 17.1543 17.1556 17.2419 17.2432 20.0122 20.0122 22.5156 22.5201 22.5874 22.5919 k = 0.0171 0.0296 0.5174 ( 660 PWs) bands (ev): -53.9513 -53.9513 -25.9915 -25.9915 -25.0158 -25.0158 -24.7378 -24.7378 6.9217 6.9217 10.2610 10.2610 16.2342 16.2355 16.2603 16.2616 17.1607 17.1615 17.2373 17.2380 20.0076 20.0076 22.5254 22.5289 22.5739 22.5773 k = 0.0128 0.0222 0.5174 ( 660 PWs) bands (ev): -53.9515 -53.9515 -25.9913 -25.9913 -25.0154 -25.0154 -24.7368 -24.7368 6.9196 6.9196 10.2513 10.2513 16.2436 16.2442 16.2693 16.2699 17.1645 17.1648 17.2351 17.2354 20.0040 20.0040 22.5326 22.5349 22.5643 22.5666 k = 0.0085 0.0148 0.5174 ( 660 PWs) bands (ev): -53.9517 -53.9517 -25.9912 -25.9912 -25.0151 -25.0151 -24.7361 -24.7361 6.9182 6.9182 10.2444 10.2444 16.2503 16.2504 16.2758 16.2760 17.1662 17.1663 17.2344 17.2345 20.0014 20.0014 22.5367 22.5376 22.5590 22.5600 k = 0.0043 0.0074 0.5174 ( 660 PWs) bands (ev): -53.9518 -53.9518 -25.9911 -25.9911 -25.0150 -25.0150 -24.7357 -24.7357 6.9173 6.9173 10.2402 10.2402 16.2541 16.2542 16.2797 16.2797 17.1667 17.1667 17.2345 17.2345 19.9999 19.9999 22.5377 22.5378 22.5573 22.5574 k = 0.0000 0.0000 0.5174 ( 660 PWs) bands (ev): -53.9518 -53.9518 -25.9911 -25.9911 -25.0149 -25.0149 -24.7355 -24.7355 6.9170 6.9170 10.2389 10.2389 16.2554 16.2554 16.2810 16.2810 17.1668 17.1668 17.2345 17.2345 19.9994 19.9994 22.5376 22.5376 22.5570 22.5570 k = 0.5000 0.2887 0.5174 ( 632 PWs) bands (ev): -53.8891 -53.8891 -26.0817 -26.0817 -25.1469 -25.1469 -24.9182 -24.9182 7.7187 7.7187 12.2271 12.2271 13.5037 13.5037 14.3318 14.3318 17.9846 17.9846 19.5195 19.5195 19.9929 19.9929 22.5963 22.5963 24.6981 24.6981 k = 0.5000 0.2887 0.5089 ( 632 PWs) bands (ev): -53.8891 -53.8891 -26.0817 -26.0816 -25.1468 -25.1468 -24.9182 -24.9182 7.7183 7.7188 12.2231 12.2269 13.5024 13.5088 14.3330 14.3331 17.9828 17.9841 19.5191 19.5196 19.9911 19.9935 22.5952 22.5985 24.6946 24.6951 k = 0.5000 0.2887 0.5004 ( 632 PWs) bands (ev): -53.8892 -53.8892 -26.0814 -26.0814 -25.1465 -25.1464 -24.9182 -24.9182 7.7175 7.7185 12.2150 12.2226 13.5048 13.5174 14.3366 14.3368 17.9786 17.9812 19.5184 19.5193 19.9880 19.9927 22.5952 22.6017 24.6849 24.6858 k = 0.5000 0.2887 0.4919 ( 634 PWs) bands (ev): -53.8894 -53.8894 -26.0811 -26.0811 -25.1460 -25.1459 -24.9182 -24.9182 7.7163 7.7179 12.2030 12.2141 13.5108 13.5293 14.3426 14.3430 17.9721 17.9759 19.5174 19.5188 19.9836 19.9906 22.5963 22.6060 24.6688 24.6703 k = 0.5000 0.2887 0.4835 ( 634 PWs) bands (ev): -53.8896 -53.8896 -26.0806 -26.0806 -25.1452 -25.1452 -24.9182 -24.9182 7.7147 7.7169 12.1875 12.2017 13.5203 13.5444 14.3511 14.3516 17.9632 17.9683 19.5162 19.5179 19.9782 19.9875 22.5985 22.6112 24.6466 24.6485 k = 0.5000 0.2887 0.4750 ( 634 PWs) bands (ev): -53.8899 -53.8899 -26.0800 -26.0799 -25.1442 -25.1442 -24.9182 -24.9181 7.7128 7.7155 12.1687 12.1857 13.5330 13.5622 14.3620 14.3627 17.9520 17.9584 19.5146 19.5168 19.9718 19.9833 22.6017 22.6175 24.6182 24.6206 k = 0.5000 0.2887 0.4665 ( 626 PWs) bands (ev): -53.8902 -53.8902 -26.0791 -26.0790 -25.1430 -25.1429 -24.9180 -24.9180 7.7106 7.7138 12.1469 12.1663 13.5485 13.5825 14.3756 14.3764 17.9385 17.9462 19.5127 19.5154 19.9647 19.9783 22.6061 22.6246 24.5840 24.5869 k = 0.5000 0.2887 0.4580 ( 626 PWs) bands (ev): -53.8906 -53.8906 -26.0782 -26.0781 -25.1416 -25.1415 -24.9179 -24.9179 7.7079 7.7116 12.1226 12.1438 13.5666 13.6047 14.3914 14.3923 17.9227 17.9316 19.5106 19.5137 19.9567 19.9724 22.6114 22.6327 24.5439 24.5472 k = 0.5000 0.2887 0.4495 ( 626 PWs) bands (ev): -53.8911 -53.8911 -26.0772 -26.0771 -25.1400 -25.1399 -24.9179 -24.9179 7.7047 7.7090 12.0962 12.1188 13.5869 13.6287 14.4096 14.4107 17.9046 17.9148 19.5081 19.5116 19.9482 19.9659 22.6177 22.6416 24.4981 24.5019 k = 0.5000 0.2887 0.4411 ( 626 PWs) bands (ev): -53.8916 -53.8916 -26.0760 -26.0759 -25.1382 -25.1381 -24.9178 -24.9178 7.7012 7.7060 12.0678 12.0915 13.6091 13.6540 14.4303 14.4314 17.8842 17.8956 19.5053 19.5093 19.9393 19.9590 22.6251 22.6513 24.4469 24.4511 k = 0.5000 0.2887 0.4326 ( 628 PWs) bands (ev): -53.8922 -53.8922 -26.0748 -26.0747 -25.1363 -25.1361 -24.9177 -24.9176 7.6972 7.7025 12.0380 12.0622 13.6327 13.6804 14.4533 14.4546 17.8616 17.8742 19.5023 19.5067 19.9303 19.9517 22.6333 22.6617 24.3905 24.3952 k = 0.5000 0.2887 0.4241 ( 636 PWs) bands (ev): -53.8929 -53.8928 -26.0736 -26.0734 -25.1342 -25.1340 -24.9177 -24.9176 7.6927 7.6986 12.0069 12.0313 13.6575 13.7074 14.4786 14.4800 17.8366 17.8504 19.4986 19.5035 19.9213 19.9445 22.6425 22.6728 24.3290 24.3342 k = 0.5000 0.2887 0.4156 ( 636 PWs) bands (ev): -53.8935 -53.8935 -26.0721 -26.0720 -25.1319 -25.1317 -24.9174 -24.9174 7.6877 7.6942 11.9749 11.9992 13.6832 13.7350 14.5064 14.5080 17.8095 17.8244 19.4950 19.5003 19.9128 19.9376 22.6526 22.6846 24.2629 24.2685 k = 0.5000 0.2887 0.4071 ( 640 PWs) bands (ev): -53.8943 -53.8943 -26.0706 -26.0705 -25.1294 -25.1292 -24.9173 -24.9172 7.6823 7.6893 11.9422 11.9661 13.7095 13.7628 14.5364 14.5381 17.7802 17.7962 19.4911 19.4968 19.9049 19.9311 22.6635 22.6971 24.1922 24.1982 k = 0.5000 0.2887 0.3986 ( 640 PWs) bands (ev): -53.8951 -53.8951 -26.0690 -26.0688 -25.1268 -25.1266 -24.9170 -24.9169 7.6763 7.6839 11.9091 11.9323 13.7362 13.7906 14.5689 14.5708 17.7488 17.7658 19.4869 19.4931 19.8977 19.9253 22.6753 22.7103 24.1172 24.1238 k = 0.5000 0.2887 0.3902 ( 640 PWs) bands (ev): -53.8959 -53.8959 -26.0673 -26.0671 -25.1240 -25.1238 -24.9166 -24.9165 7.6698 7.6779 11.8757 11.8980 13.7632 13.8184 14.6037 14.6057 17.7153 17.7333 19.4825 19.4892 19.8915 19.9204 22.6879 22.7240 24.0383 24.0453 k = 0.5000 0.2887 0.3817 ( 644 PWs) bands (ev): -53.8968 -53.8968 -26.0656 -26.0654 -25.1212 -25.1209 -24.9161 -24.9161 7.6628 7.6714 11.8422 11.8634 13.7902 13.8458 14.6408 14.6430 17.6797 17.6986 19.4776 19.4847 19.8864 19.9165 22.7013 22.7384 23.9556 23.9630 k = 0.5000 0.2887 0.3732 ( 648 PWs) bands (ev): -53.8978 -53.8978 -26.0638 -26.0636 -25.1182 -25.1180 -24.9156 -24.9155 7.6551 7.6643 11.8087 11.8286 13.8171 13.8729 14.6802 14.6825 17.6420 17.6617 19.4725 19.4802 19.8827 19.9138 22.7155 22.7533 23.8693 23.8772 k = 0.5000 0.2887 0.3647 ( 646 PWs) bands (ev): -53.8987 -53.8987 -26.0619 -26.0617 -25.1151 -25.1149 -24.9149 -24.9148 7.6470 7.6567 11.7755 11.7940 13.8438 13.8996 14.7219 14.7244 17.6025 17.6230 19.4674 19.4755 19.8806 19.9126 22.7306 22.7689 23.7798 23.7881 k = 0.5000 0.2887 0.3562 ( 646 PWs) bands (ev): -53.8998 -53.8998 -26.0600 -26.0598 -25.1119 -25.1117 -24.9140 -24.9140 7.6383 7.6485 11.7425 11.7595 13.8703 13.9257 14.7658 14.7685 17.5610 17.5821 19.4619 19.4706 19.8801 19.9130 22.7465 22.7852 23.6871 23.6960 k = 0.5000 0.2887 0.3478 ( 650 PWs) bands (ev): -53.9008 -53.9008 -26.0582 -26.0580 -25.1088 -25.1085 -24.9131 -24.9131 7.6289 7.6396 11.7100 11.7253 13.8963 13.9513 14.8120 14.8148 17.5176 17.5394 19.4562 19.4654 19.8814 19.9149 22.7632 22.8021 23.5917 23.6010 k = 0.5000 0.2887 0.3393 ( 650 PWs) bands (ev): -53.9019 -53.9019 -26.0562 -26.0560 -25.1055 -25.1053 -24.9120 -24.9120 7.6191 7.6303 11.6779 11.6915 13.9221 13.9763 14.8603 14.8633 17.4724 17.4948 19.4502 19.4601 19.8845 19.9187 22.7807 22.8197 23.4936 23.5034 k = 0.5000 0.2887 0.3308 ( 650 PWs) bands (ev): -53.9030 -53.9030 -26.0543 -26.0540 -25.1023 -25.1020 -24.9108 -24.9107 7.6086 7.6203 11.6464 11.6583 13.9475 14.0008 14.9108 14.9140 17.4256 17.4484 19.4441 19.4545 19.8895 19.9242 22.7992 22.8380 23.3932 23.4034 k = 0.5000 0.2887 0.3223 ( 648 PWs) bands (ev): -53.9041 -53.9041 -26.0523 -26.0521 -25.0990 -25.0987 -24.9093 -24.9093 7.5976 7.6097 11.6155 11.6256 13.9724 14.0248 14.9636 14.9670 17.3772 17.4004 19.4376 19.4487 19.8966 19.9317 22.8185 22.8571 23.2906 23.3014 k = 0.5000 0.2887 0.3138 ( 652 PWs) bands (ev): -53.9053 -53.9053 -26.0504 -26.0502 -25.0958 -25.0955 -24.9078 -24.9077 7.5861 7.5986 11.5854 11.5936 13.9970 14.0482 15.0184 15.0219 17.3272 17.3507 19.4310 19.4426 19.9053 19.9407 22.8387 22.8769 23.1860 23.1973 k = 0.5000 0.2887 0.3053 ( 652 PWs) bands (ev): -53.9065 -53.9065 -26.0484 -26.0482 -25.0926 -25.0924 -24.9059 -24.9059 7.5739 7.5869 11.5559 11.5623 14.0213 14.0711 15.0753 15.0790 17.2759 17.2996 19.4240 19.4364 19.9162 19.9517 22.8598 22.8975 23.0798 23.0917 k = 0.5000 0.2887 0.2969 ( 652 PWs) bands (ev): -53.9077 -53.9077 -26.0465 -26.0463 -25.0895 -25.0893 -24.9039 -24.9039 7.5613 7.5746 11.5271 11.5318 14.0453 14.0937 15.1342 15.1382 17.2232 17.2471 19.4169 19.4299 19.9289 19.9646 22.8809 22.9177 22.9733 22.9854 k = 0.5000 0.2887 0.2884 ( 652 PWs) bands (ev): -53.9089 -53.9089 -26.0446 -26.0444 -25.0865 -25.0862 -24.9017 -24.9016 7.5482 7.5618 11.4992 11.5021 14.0690 14.1160 15.1952 15.1994 17.1693 17.1933 19.4094 19.4233 19.9434 19.9791 22.8602 22.8681 22.9127 22.9440 k = 0.5000 0.2887 0.2799 ( 656 PWs) bands (ev): -53.9101 -53.9101 -26.0428 -26.0426 -25.0837 -25.0834 -24.8993 -24.8992 7.5346 7.5485 11.4720 11.4731 14.0926 14.1380 15.2581 15.2625 17.1143 17.1382 19.4016 19.4162 19.9596 19.9952 22.7503 22.7625 22.9327 22.9668 k = 0.5000 0.2887 0.2714 ( 660 PWs) bands (ev): -53.9113 -53.9113 -26.0411 -26.0408 -25.0810 -25.0807 -24.8966 -24.8966 7.5205 7.5347 11.4450 11.4455 14.1161 14.1598 15.3230 15.3276 17.0582 17.0821 19.3936 19.4091 19.9773 20.0127 22.6386 22.6518 22.9578 22.9913 k = 0.5000 0.2887 0.2629 ( 662 PWs) bands (ev): -53.9126 -53.9126 -26.0393 -26.0391 -25.0784 -25.0781 -24.8937 -24.8937 7.5060 7.5204 11.4178 11.4199 14.1395 14.1816 15.3899 15.3947 17.0012 17.0251 19.3854 19.4016 19.9965 20.0317 22.5260 22.5399 22.9846 23.0171 k = 0.5000 0.2887 0.2545 ( 662 PWs) bands (ev): -53.9138 -53.9138 -26.0376 -26.0374 -25.0759 -25.0757 -24.8906 -24.8906 7.4913 7.5058 11.3915 11.3952 14.1630 14.2034 15.4586 15.4637 16.9435 16.9672 19.3768 19.3939 20.0170 20.0518 22.4125 22.4271 23.0127 23.0441 k = 0.5000 0.2887 0.2460 ( 658 PWs) bands (ev): -53.9150 -53.9150 -26.0359 -26.0356 -25.0736 -25.0733 -24.8872 -24.8872 7.4762 7.4909 11.3661 11.3712 14.1867 14.2253 15.5292 15.5345 16.8851 16.9087 19.3679 19.3860 20.0387 20.0730 22.2986 22.3138 23.0422 23.0724 k = 0.5000 0.2887 0.2375 ( 658 PWs) bands (ev): -53.9163 -53.9163 -26.0343 -26.0340 -25.0714 -25.0712 -24.8836 -24.8836 7.4608 7.4756 11.3416 11.3480 14.2107 14.2475 15.6015 15.6071 16.8261 16.8494 19.3586 19.3777 20.0614 20.0952 22.1842 22.2000 23.0729 23.1018 k = 0.5000 0.2887 0.2290 ( 658 PWs) bands (ev): -53.9175 -53.9175 -26.0327 -26.0325 -25.0695 -25.0692 -24.8799 -24.8799 7.4452 7.4600 11.3179 11.3256 14.2349 14.2701 15.6756 15.6815 16.7666 16.7897 19.3489 19.3689 20.0849 20.1180 22.0695 22.0860 23.1050 23.1325 k = 0.5000 0.2887 0.2205 ( 658 PWs) bands (ev): -53.9187 -53.9187 -26.0312 -26.0310 -25.0677 -25.0674 -24.8760 -24.8760 7.4295 7.4442 11.2952 11.3040 14.2596 14.2931 15.7513 15.7575 16.7067 16.7295 19.3387 19.3598 20.1091 20.1415 21.9548 21.9720 23.1383 23.1644 k = 0.5000 0.2887 0.2120 ( 658 PWs) bands (ev): -53.9199 -53.9199 -26.0298 -26.0295 -25.0660 -25.0658 -24.8719 -24.8719 7.4136 7.4283 11.2733 11.2832 14.2847 14.3166 15.8287 15.8352 16.6465 16.6689 19.3280 19.3501 20.1337 20.1652 21.8403 21.8582 23.1729 23.1975 k = 0.5000 0.2887 0.2036 ( 658 PWs) bands (ev): -53.9210 -53.9210 -26.0284 -26.0282 -25.0646 -25.0644 -24.8677 -24.8677 7.3978 7.4123 11.2524 11.2631 14.3104 14.3407 15.9076 15.9144 16.5860 16.6081 19.3167 19.3400 20.1586 20.1893 21.7260 21.7447 23.2087 23.2318 k = 0.5000 0.2887 0.1951 ( 658 PWs) bands (ev): -53.9222 -53.9222 -26.0271 -26.0268 -25.0633 -25.0631 -24.8633 -24.8633 7.3819 7.3963 11.2323 11.2438 14.3368 14.3655 15.9880 15.9952 16.5254 16.5472 19.3047 19.3292 20.1836 20.2133 21.6124 21.6318 23.2457 23.2672 k = 0.5000 0.2887 0.1866 ( 658 PWs) bands (ev): -53.9233 -53.9233 -26.0258 -26.0256 -25.0621 -25.0619 -24.8589 -24.8589 7.3661 7.3803 11.2131 11.2252 14.3639 14.3910 16.0697 16.0773 16.4648 16.4862 19.2920 19.3176 20.2085 20.2372 21.4995 21.5197 23.2837 23.3037 k = 0.5000 0.2887 0.1781 ( 662 PWs) bands (ev): -53.9244 -53.9244 -26.0247 -26.0245 -25.0612 -25.0610 -24.8545 -24.8545 7.3505 7.3644 11.1947 11.2074 14.3917 14.4174 16.1526 16.1606 16.4044 16.4255 19.2783 19.3052 20.2331 20.2607 21.3876 21.4087 23.3227 23.3412 k = 0.5000 0.2887 0.1696 ( 662 PWs) bands (ev): -53.9255 -53.9255 -26.0236 -26.0234 -25.0603 -25.0601 -24.8500 -24.8500 7.3351 7.3487 11.1773 11.1903 14.4203 14.4447 16.2359 16.2442 16.3450 16.3657 19.2636 19.2918 20.2575 20.2840 21.2771 21.2990 23.3626 23.3795 k = 0.5000 0.2887 0.1612 ( 662 PWs) bands (ev): -53.9265 -53.9265 -26.0225 -26.0223 -25.0595 -25.0594 -24.8455 -24.8455 7.3200 7.3332 11.1607 11.1740 14.4499 14.4730 16.2780 16.2921 16.3342 16.3368 19.2478 19.2773 20.2814 20.3067 21.1682 21.1910 23.4031 23.4185 k = 0.5000 0.2887 0.1527 ( 662 PWs) bands (ev): -53.9275 -53.9275 -26.0215 -26.0213 -25.0589 -25.0588 -24.8410 -24.8410 7.3052 7.3180 11.1450 11.1584 14.4804 14.5022 16.2206 16.2394 16.4130 16.4212 19.2306 19.2614 20.3046 20.3287 21.0613 21.0849 23.4442 23.4581 k = 0.5000 0.2887 0.1442 ( 662 PWs) bands (ev): -53.9285 -53.9285 -26.0206 -26.0204 -25.0584 -25.0582 -24.8366 -24.8366 7.2908 7.3032 11.1301 11.1435 14.5118 14.5325 16.1609 16.1796 16.5001 16.5091 19.2117 19.2439 20.3271 20.3499 20.9567 20.9811 23.4855 23.4980 k = 0.5000 0.2887 0.1357 ( 662 PWs) bands (ev): -53.9294 -53.9294 -26.0197 -26.0196 -25.0579 -25.0578 -24.8323 -24.8323 7.2769 7.2888 11.1161 11.1295 14.5442 14.5639 16.1012 16.1196 16.5886 16.5981 19.1910 19.2245 20.3487 20.3701 20.8549 20.8802 23.5270 23.5381 k = 0.5000 0.2887 0.1272 ( 666 PWs) bands (ev): -53.9303 -53.9303 -26.0190 -26.0188 -25.0575 -25.0574 -24.8282 -24.8282 7.2636 7.2749 11.1030 11.1161 14.5776 14.5963 16.0417 16.0597 16.6779 16.6879 19.1681 19.2028 20.3692 20.3892 20.7565 20.7825 23.5683 23.5781 k = 0.5000 0.2887 0.1187 ( 660 PWs) bands (ev): -53.9311 -53.9311 -26.0181 -26.0180 -25.0572 -25.0571 -24.8240 -24.8240 7.2508 7.2616 11.0908 11.1035 14.6122 14.6300 15.9828 16.0004 16.7680 16.7786 19.1428 19.1787 20.3887 20.4074 20.6620 20.6887 23.6092 23.6178 k = 0.5000 0.2887 0.1103 ( 660 PWs) bands (ev): -53.9319 -53.9319 -26.0175 -26.0173 -25.0569 -25.0568 -24.8202 -24.8201 7.2387 7.2488 11.0794 11.0917 14.6477 14.6647 15.9241 15.9413 16.8584 16.8695 19.1147 19.1516 20.4068 20.4240 20.5723 20.5995 23.6493 23.6567 k = 0.5000 0.2887 0.1018 ( 660 PWs) bands (ev): -53.9327 -53.9327 -26.0168 -26.0167 -25.0568 -25.0567 -24.8165 -24.8165 7.2273 7.2368 11.0689 11.0806 14.6843 14.7006 15.8660 15.8827 16.9490 16.9606 19.0836 19.1211 20.4221 20.4377 20.4893 20.5168 23.6884 23.6947 k = 0.5000 0.2887 0.0933 ( 660 PWs) bands (ev): -53.9333 -53.9333 -26.0163 -26.0162 -25.0566 -25.0565 -24.8130 -24.8130 7.2166 7.2254 11.0592 11.0704 14.7219 14.7375 15.8084 15.8247 17.0395 17.0516 19.0491 19.0871 20.4006 20.4236 20.4475 20.4661 23.7260 23.7314 k = 0.5000 0.2887 0.0848 ( 660 PWs) bands (ev): -53.9340 -53.9340 -26.0158 -26.0157 -25.0565 -25.0564 -24.8098 -24.8097 7.2067 7.2148 11.0505 11.0609 14.7605 14.7756 15.7514 15.7673 17.1295 17.1421 19.0111 19.0491 20.3311 20.3565 20.4587 20.4731 23.7620 23.7664 k = 0.5000 0.2887 0.0763 ( 664 PWs) bands (ev): -53.9346 -53.9346 -26.0154 -26.0153 -25.0565 -25.0564 -24.8068 -24.8068 7.1976 7.2050 11.0426 11.0522 14.8001 14.8147 15.6949 15.7105 17.2187 17.2317 18.9696 19.0072 20.2654 20.2903 20.4717 20.4842 23.7958 23.7995 k = 0.5000 0.2887 0.0679 ( 664 PWs) bands (ev): -53.9351 -53.9351 -26.0150 -26.0149 -25.0564 -25.0564 -24.8041 -24.8040 7.1895 7.1961 11.0356 11.0443 14.8407 14.8549 15.6393 15.6545 17.3063 17.3197 18.9248 18.9614 20.2065 20.2302 20.4838 20.4948 23.8272 23.8302 k = 0.5000 0.2887 0.0594 ( 660 PWs) bands (ev): -53.9355 -53.9355 -26.0146 -26.0145 -25.0564 -25.0563 -24.8015 -24.8015 7.1823 7.1881 11.0295 11.0372 14.8824 14.8962 15.5846 15.5993 17.3918 17.4054 18.8773 18.9124 20.1551 20.1769 20.4947 20.5043 23.8560 23.8583 k = 0.5000 0.2887 0.0509 ( 660 PWs) bands (ev): -53.9359 -53.9359 -26.0143 -26.0142 -25.0564 -25.0563 -24.7994 -24.7994 7.1760 7.1810 11.0242 11.0310 14.9248 14.9383 15.5307 15.5451 17.4741 17.4877 18.8281 18.8609 20.1112 20.1308 20.5043 20.5125 23.8816 23.8835 k = 0.5000 0.2887 0.0424 ( 660 PWs) bands (ev): -53.9363 -53.9363 -26.0140 -26.0140 -25.0564 -25.0563 -24.7976 -24.7975 7.1707 7.1749 11.0199 11.0256 14.9680 14.9811 15.4779 15.4918 17.5518 17.5651 18.7785 18.8083 20.0749 20.0918 20.5125 20.5193 23.9039 23.9053 k = 0.5000 0.2887 0.0339 ( 660 PWs) bands (ev): -53.9366 -53.9366 -26.0138 -26.0138 -25.0563 -25.0563 -24.7960 -24.7960 7.1664 7.1698 11.0165 11.0211 15.0116 15.0244 15.4264 15.4399 17.6230 17.6354 18.7309 18.7569 20.0460 20.0599 20.5194 20.5248 23.9225 23.9235 k = 0.5000 0.2887 0.0254 ( 660 PWs) bands (ev): -53.9368 -53.9368 -26.0137 -26.0136 -25.0563 -25.0563 -24.7949 -24.7949 7.1632 7.1657 11.0140 11.0175 15.0552 15.0675 15.3769 15.3898 17.6852 17.6960 18.6881 18.7093 20.0243 20.0349 20.5249 20.5290 23.9372 23.9380 k = 0.5000 0.2887 0.0170 ( 660 PWs) bands (ev): -53.9369 -53.9369 -26.0135 -26.0135 -25.0563 -25.0563 -24.7940 -24.7940 7.1610 7.1627 11.0123 11.0147 15.0977 15.1090 15.3310 15.3426 17.7349 17.7430 18.6542 18.6693 20.0096 20.0167 20.5290 20.5317 23.9479 23.9484 k = 0.5000 0.2887 0.0085 ( 660 PWs) bands (ev): -53.9370 -53.9370 -26.0135 -26.0135 -25.0563 -25.0563 -24.7935 -24.7935 7.1598 7.1607 11.0116 11.0127 15.1354 15.1438 15.2935 15.3020 17.7682 17.7726 18.6331 18.6411 20.0015 20.0051 20.5318 20.5331 23.9545 23.9547 k = 0.5000 0.2887-0.0000 ( 660 PWs) bands (ev): -53.9371 -53.9371 -26.0134 -26.0134 -25.0563 -25.0563 -24.7933 -24.7933 7.1597 7.1597 11.0117 11.0117 15.1565 15.1565 15.2799 15.2799 17.7813 17.7813 18.6284 18.6284 20.0001 20.0001 20.5332 20.5332 23.9567 23.9567 k = 0.3333 0.5774-0.0000 ( 642 PWs) bands (ev): -53.9288 -53.9288 -26.0266 -26.0045 -25.1015 -25.0704 -24.8259 -24.8192 7.6723 7.6995 12.3786 12.3810 13.0411 13.0650 15.2967 15.3158 17.8398 17.8763 18.4495 18.5124 19.3616 19.3642 19.7347 19.8099 24.7209 24.7470 k = 0.3333 0.5774 0.0085 ( 648 PWs) bands (ev): -53.9288 -53.9288 -26.0267 -26.0046 -25.1015 -25.0704 -24.8263 -24.8196 7.6726 7.6998 12.3804 12.3828 13.0400 13.0639 15.2942 15.3133 17.8338 17.8688 18.4593 18.5207 19.3617 19.3644 19.7364 19.8116 24.7188 24.7448 k = 0.3333 0.5774 0.0170 ( 648 PWs) bands (ev): -53.9287 -53.9287 -26.0268 -26.0047 -25.1013 -25.0702 -24.8270 -24.8202 7.6734 7.7006 12.3858 12.3882 13.0364 13.0603 15.2872 15.3061 17.8168 17.8478 18.4873 18.5448 19.3630 19.3657 19.7415 19.8165 24.7125 24.7385 k = 0.3333 0.5774 0.0254 ( 648 PWs) bands (ev): -53.9285 -53.9285 -26.0269 -26.0048 -25.1011 -25.0700 -24.8280 -24.8212 7.6748 7.7019 12.3949 12.3973 13.0306 13.0544 15.2755 15.2942 17.7908 17.8167 18.5303 18.5825 19.3651 19.3678 19.7499 19.8246 24.7021 24.7280 k = 0.3333 0.5774 0.0339 ( 648 PWs) bands (ev): -53.9283 -53.9283 -26.0270 -26.0050 -25.1009 -25.0698 -24.8294 -24.8227 7.6768 7.7038 12.4076 12.4100 13.0224 13.0462 15.2592 15.2776 17.7585 17.7788 18.5845 18.6312 19.3680 19.3708 19.7616 19.8360 24.6875 24.7134 k = 0.3333 0.5774 0.0424 ( 648 PWs) bands (ev): -53.9280 -53.9280 -26.0272 -26.0052 -25.1005 -25.0694 -24.8313 -24.8245 7.6793 7.7063 12.4239 12.4263 13.0120 13.0357 15.2384 15.2565 17.7221 17.7372 18.6473 18.6888 19.3718 19.3746 19.7765 19.8504 24.6690 24.6948 k = 0.3333 0.5774 0.0509 ( 654 PWs) bands (ev): -53.9277 -53.9277 -26.0276 -26.0056 -25.1002 -25.0690 -24.8336 -24.8268 7.6824 7.7092 12.4438 12.4462 12.9993 13.0230 15.2132 15.2309 17.6832 17.6935 18.7165 18.7532 19.3763 19.3792 19.7944 19.8677 24.6466 24.6722 k = 0.3333 0.5774 0.0594 ( 654 PWs) bands (ev): -53.9273 -53.9273 -26.0279 -26.0059 -25.0996 -25.0685 -24.8362 -24.8294 7.6860 7.7127 12.4672 12.4696 12.9845 13.0080 15.1840 15.2012 17.6435 17.6495 18.7908 18.8231 19.3816 19.3847 19.8153 19.8878 24.6206 24.6460 k = 0.3333 0.5774 0.0679 ( 657 PWs) bands (ev): -53.9269 -53.9269 -26.0283 -26.0063 -25.0991 -25.0680 -24.8393 -24.8323 7.6902 7.7167 12.4942 12.4965 12.9675 12.9908 15.1508 15.1674 17.6037 17.6059 18.8691 18.8975 19.3878 19.3910 19.8388 19.9106 24.5910 24.6162 k = 0.3333 0.5774 0.0763 ( 657 PWs) bands (ev): -53.9264 -53.9264 -26.0287 -26.0068 -25.0985 -25.0673 -24.8426 -24.8357 7.6949 7.7213 12.5246 12.5269 12.9484 12.9716 15.1138 15.1299 17.5634 17.5645 18.9510 18.9758 19.3946 19.3981 19.8650 19.9360 24.5581 24.5831 k = 0.3333 0.5774 0.0848 ( 657 PWs) bands (ev): -53.9258 -53.9258 -26.0291 -26.0072 -25.0977 -25.0666 -24.8464 -24.8393 7.7002 7.7263 12.5585 12.5608 12.9273 12.9503 15.0732 15.0887 17.5222 17.5264 19.0358 19.0573 19.4022 19.4061 19.8936 19.9636 24.5220 24.5467 k = 0.3333 0.5774 0.0933 ( 657 PWs) bands (ev): -53.9252 -53.9252 -26.0296 -26.0078 -25.0969 -25.0658 -24.8504 -24.8434 7.7060 7.7319 12.5957 12.5980 12.9043 12.9271 15.0293 15.0442 17.4827 17.4897 19.1233 19.1415 19.4105 19.4149 19.9243 19.9935 24.4829 24.5075 k = 0.3333 0.5774 0.1018 ( 657 PWs) bands (ev): -53.9245 -53.9245 -26.0302 -26.0084 -25.0961 -25.0649 -24.8548 -24.8477 7.7123 7.7380 12.6364 12.6385 12.8795 12.9020 14.9822 14.9965 17.4451 17.4546 19.2130 19.2278 19.4195 19.4249 19.9572 20.0253 24.4412 24.4654 k = 0.3333 0.5774 0.1103 ( 657 PWs) bands (ev): -53.9238 -53.9238 -26.0308 -26.0090 -25.0951 -25.0639 -24.8595 -24.8523 7.7191 7.7445 12.6803 12.6823 12.8530 12.8751 14.9323 14.9459 17.4095 17.4214 19.3049 19.3151 19.4291 19.4369 19.9918 20.0589 24.3969 24.4208 k = 0.3333 0.5774 0.1187 ( 657 PWs) bands (ev): -53.9230 -53.9230 -26.0314 -26.0097 -25.0941 -25.0629 -24.8645 -24.8573 7.7264 7.7516 12.7274 12.7289 12.8251 12.8465 14.8797 14.8927 17.3760 17.3900 19.3973 19.3988 19.4394 19.4567 20.0281 20.0940 24.3504 24.3739 k = 0.3333 0.5774 0.1272 ( 657 PWs) bands (ev): -53.9222 -53.9222 -26.0321 -26.0105 -25.0931 -25.0619 -24.8698 -24.8625 7.7342 7.7591 12.7748 12.7777 12.7996 12.8163 14.8247 14.8370 17.3446 17.3606 19.4417 19.4502 19.4944 19.5168 20.0658 20.1307 24.3017 24.3249 k = 0.3333 0.5774 0.1357 ( 663 PWs) bands (ev): -53.9213 -53.9213 -26.0330 -26.0114 -25.0920 -25.0608 -24.8755 -24.8680 7.7425 7.7671 12.7612 12.7847 12.8310 12.8352 14.7674 14.7791 17.3152 17.3331 19.4587 19.4615 19.5916 19.6065 20.1049 20.1685 24.2511 24.2739 k = 0.3333 0.5774 0.1442 ( 666 PWs) bands (ev): -53.9204 -53.9204 -26.0338 -26.0123 -25.0909 -25.0596 -24.8813 -24.8738 7.7513 7.7755 12.7293 12.7516 12.8874 12.8907 14.7081 14.7193 17.2880 17.3076 19.4722 19.4732 19.6904 19.7019 20.1450 20.2075 24.1989 24.2213 k = 0.3333 0.5774 0.1527 ( 666 PWs) bands (ev): -53.9195 -53.9195 -26.0347 -26.0133 -25.0897 -25.0584 -24.8874 -24.8798 7.7605 7.7843 12.6955 12.7173 12.9466 12.9498 14.6472 14.6578 17.2630 17.2843 19.4853 19.4855 19.7907 19.7998 20.1862 20.2474 24.1453 24.1673 k = 0.3333 0.5774 0.1612 ( 666 PWs) bands (ev): -53.9185 -53.9185 -26.0357 -26.0143 -25.0884 -25.0571 -24.8936 -24.8859 7.7701 7.7936 12.6605 12.6819 13.0088 13.0118 14.5848 14.5948 17.2401 17.2629 19.4982 19.4985 19.8923 19.8995 20.2282 20.2882 24.0904 24.1119 k = 0.3333 0.5774 0.1696 ( 657 PWs) bands (ev): -53.9174 -53.9174 -26.0365 -26.0153 -25.0869 -25.0556 -24.8999 -24.8921 7.7803 7.8034 12.6245 12.6455 13.0736 13.0767 14.5211 14.5306 17.2194 17.2437 19.5112 19.5118 19.9953 20.0009 20.2711 20.3297 24.0345 24.0556 k = 0.3333 0.5774 0.1781 ( 657 PWs) bands (ev): -53.9163 -53.9163 -26.0376 -26.0164 -25.0856 -25.0543 -24.9065 -24.8986 7.7908 7.8135 12.5876 12.6081 13.1411 13.1442 14.4563 14.4653 17.2005 17.2261 19.5245 19.5253 20.0993 20.1035 20.3145 20.3716 23.9776 23.9982 k = 0.3333 0.5774 0.1866 ( 651 PWs) bands (ev): -53.9152 -53.9152 -26.0387 -26.0176 -25.0842 -25.0528 -24.9131 -24.9051 7.8017 7.8240 12.5499 12.5700 13.2111 13.2142 14.3906 14.3991 17.1835 17.2105 19.5382 19.5391 20.2043 20.2076 20.3586 20.4140 23.9201 23.9401 k = 0.3333 0.5774 0.1951 ( 645 PWs) bands (ev): -53.9141 -53.9141 -26.0398 -26.0188 -25.0826 -25.0512 -24.9199 -24.9118 7.8131 7.8349 12.5115 12.5312 13.2836 13.2867 14.3241 14.3321 17.1684 17.1967 19.5520 19.5530 20.3097 20.3127 20.4038 20.4568 23.8619 23.8814 k = 0.3333 0.5774 0.2036 ( 645 PWs) bands (ev): -53.9129 -53.9129 -26.0411 -26.0201 -25.0812 -25.0498 -24.9268 -24.9186 7.8247 7.8460 12.4725 12.4918 13.3583 13.3615 14.2570 14.2647 17.1551 17.1845 19.5658 19.5670 20.4120 20.4189 20.4531 20.4997 23.8033 23.8222 k = 0.3333 0.5774 0.2120 ( 645 PWs) bands (ev): -53.9117 -53.9117 -26.0424 -26.0216 -25.0797 -25.0483 -24.9339 -24.9255 7.8366 7.8575 12.4332 12.4520 13.4351 13.4385 14.1897 14.1969 17.1434 17.1739 19.5797 19.5810 20.4833 20.5261 20.5345 20.5427 23.7444 23.7627 k = 0.3333 0.5774 0.2205 ( 645 PWs) bands (ev): -53.9106 -53.9106 -26.0438 -26.0230 -25.0782 -25.0468 -24.9409 -24.9325 7.8489 7.8693 12.3935 12.4119 13.5140 13.5175 14.1222 14.1289 17.1333 17.1649 19.5936 19.5949 20.5309 20.5858 20.6343 20.6406 23.6854 23.7030 k = 0.3333 0.5774 0.2290 ( 645 PWs) bands (ev): -53.9094 -53.9094 -26.0452 -26.0246 -25.0767 -25.0452 -24.9481 -24.9395 7.8614 7.8813 12.3537 12.3716 13.5945 13.5984 14.0548 14.0609 17.1247 17.1574 19.6075 19.6088 20.5761 20.6288 20.7435 20.7499 23.6263 23.6433 k = 0.3333 0.5774 0.2375 ( 645 PWs) bands (ev): -53.9082 -53.9082 -26.0467 -26.0262 -25.0752 -25.0437 -24.9552 -24.9465 7.8742 7.8936 12.3138 12.3313 13.6766 13.6810 13.9878 13.9931 17.1176 17.1513 19.6211 19.6225 20.6206 20.6717 20.8535 20.8606 23.5673 23.5836 k = 0.3333 0.5774 0.2460 ( 639 PWs) bands (ev): -53.9069 -53.9069 -26.0482 -26.0278 -25.0736 -25.0421 -24.9621 -24.9533 7.8873 7.9061 12.2739 12.2910 13.7591 13.7653 13.9223 13.9257 17.1118 17.1465 19.6350 19.6364 20.6649 20.7144 20.9644 20.9723 23.5085 23.5240 k = 0.3333 0.5774 0.2545 ( 633 PWs) bands (ev): -53.9057 -53.9057 -26.0497 -26.0294 -25.0720 -25.0404 -24.9692 -24.9602 7.9006 7.9189 12.2342 12.2508 13.8259 13.8511 13.8587 13.8743 17.1074 17.1429 19.6482 19.6496 20.7089 20.7571 21.0761 21.0849 23.4500 23.4647 k = 0.3333 0.5774 0.2629 ( 633 PWs) bands (ev): -53.9044 -53.9044 -26.0514 -26.0312 -25.0704 -25.0388 -24.9762 -24.9671 7.9141 7.9318 12.1947 12.2109 13.7816 13.7922 13.9381 13.9393 17.1040 17.1405 19.6611 19.6625 20.7526 20.7993 21.1885 21.1981 23.3918 23.4057 k = 0.3333 0.5774 0.2714 ( 639 PWs) bands (ev): -53.9033 -53.9033 -26.0531 -26.0331 -25.0689 -25.0373 -24.9834 -24.9741 7.9276 7.9447 12.1556 12.1713 13.7178 13.7265 14.0254 14.0261 17.1017 17.1390 19.6733 19.6748 20.7959 20.8413 21.3015 21.3120 23.3339 23.3471 k = 0.3333 0.5774 0.2799 ( 639 PWs) bands (ev): -53.9020 -53.9020 -26.0549 -26.0349 -25.0673 -25.0357 -24.9903 -24.9809 7.9413 7.9578 12.1169 12.1322 13.6537 13.6617 14.1137 14.1151 17.1005 17.1386 19.6853 19.6867 20.8389 20.8829 21.4152 21.4265 23.2767 23.2889 k = 0.3333 0.5774 0.2884 ( 639 PWs) bands (ev): -53.9008 -53.9008 -26.0567 -26.0368 -25.0658 -25.0342 -24.9971 -24.9876 7.9550 7.9710 12.0788 12.0936 13.5901 13.5978 14.2031 14.2047 17.1001 17.1390 19.6967 19.6982 20.8816 20.9242 21.5294 21.5416 23.2200 23.2313 k = 0.3333 0.5774 0.2969 ( 639 PWs) bands (ev): -53.8996 -53.8996 -26.0585 -26.0387 -25.0643 -25.0326 -25.0038 -24.9941 7.9689 7.9843 12.0413 12.0557 13.5276 13.5351 14.2930 14.2949 17.1006 17.1402 19.7076 19.7090 20.9239 20.9652 21.6443 21.6572 23.1639 23.1743 k = 0.3333 0.5774 0.3053 ( 639 PWs) bands (ev): -53.8985 -53.8985 -26.0603 -26.0407 -25.0628 -25.0311 -25.0103 -25.0005 7.9827 7.9975 12.0046 12.0185 13.4662 13.4736 14.3833 14.3854 17.1019 17.1422 19.7177 19.7192 20.9658 21.0057 21.7596 21.7733 23.1085 23.1179 k = 0.3333 0.5774 0.3138 ( 639 PWs) bands (ev): -53.8973 -53.8973 -26.0621 -26.0426 -25.0613 -25.0296 -25.0167 -25.0068 7.9965 8.0107 11.9686 11.9821 13.4060 13.4135 14.4737 14.4758 17.1038 17.1448 19.7272 19.7286 21.0073 21.0458 21.8753 21.8898 23.0538 23.0623 k = 0.3333 0.5774 0.3223 ( 639 PWs) bands (ev): -53.8961 -53.8961 -26.0640 -26.0446 -25.0599 -25.0281 -25.0230 -25.0129 8.0103 8.0238 11.9335 11.9466 13.3473 13.3549 14.5639 14.5662 17.1062 17.1479 19.7359 19.7373 21.0485 21.0855 21.9915 22.0066 22.9998 23.0073 k = 0.3333 0.5774 0.3308 ( 639 PWs) bands (ev): -53.8950 -53.8950 -26.0658 -26.0466 -25.0584 -25.0290 -25.0267 -25.0188 8.0239 8.0369 11.8994 11.9121 13.2902 13.2978 14.6537 14.6560 17.1092 17.1515 19.7438 19.7452 21.0892 21.1248 22.1079 22.1237 22.9467 22.9532 k = 0.3333 0.5774 0.3393 ( 633 PWs) bands (ev): -53.8939 -53.8939 -26.0676 -26.0485 -25.0570 -25.0347 -25.0252 -25.0244 8.0374 8.0498 11.8664 11.8787 13.2347 13.2424 14.7428 14.7452 17.1127 17.1556 19.7509 19.7523 21.1296 21.1638 22.2246 22.2409 22.8945 22.9000 k = 0.3333 0.5774 0.3478 ( 633 PWs) bands (ev): -53.8928 -53.8928 -26.0695 -26.0504 -25.0556 -25.0404 -25.0299 -25.0239 8.0507 8.0625 11.8344 11.8463 13.1810 13.1888 14.8310 14.8334 17.1165 17.1600 19.7571 19.7584 21.1696 21.2022 22.3414 22.3580 22.8430 22.8477 k = 0.3333 0.5774 0.3562 ( 633 PWs) bands (ev): -53.8918 -53.8918 -26.0713 -26.0524 -25.0543 -25.0458 -25.0352 -25.0225 8.0638 8.0750 11.8036 11.8152 13.1291 13.1371 14.9179 14.9203 17.1206 17.1646 19.7624 19.7637 21.2093 21.2403 22.4582 22.4747 22.7924 22.7967 k = 0.3333 0.5774 0.3647 ( 633 PWs) bands (ev): -53.8908 -53.8908 -26.0731 -26.0543 -25.0530 -25.0510 -25.0403 -25.0212 8.0765 8.0872 11.7741 11.7852 13.0792 13.0874 15.0032 15.0057 17.1249 17.1694 19.7668 19.7681 21.2486 21.2780 22.5750 22.5894 22.7427 22.7484 k = 0.3333 0.5774 0.3732 ( 630 PWs) bands (ev): -53.8898 -53.8898 -26.0748 -26.0561 -25.0559 -25.0518 -25.0450 -25.0200 8.0890 8.0990 11.7458 11.7566 13.0313 13.0397 15.0867 15.0893 17.1293 17.1744 19.7705 19.7718 21.2875 21.3153 22.6718 22.6914 22.6939 22.7329 k = 0.3333 0.5774 0.3817 ( 630 PWs) bands (ev): -53.8889 -53.8889 -26.0766 -26.0580 -25.0606 -25.0506 -25.0496 -25.0188 8.1010 8.1105 11.7188 11.7293 12.9856 12.9943 15.1680 15.1707 17.1339 17.1794 19.7732 19.7744 21.3262 21.3522 22.6388 22.6460 22.8075 22.8333 k = 0.3333 0.5774 0.3902 ( 630 PWs) bands (ev): -53.8880 -53.8880 -26.0782 -26.0597 -25.0651 -25.0540 -25.0495 -25.0177 8.1126 8.1216 11.6933 11.7034 12.9422 12.9510 15.2469 15.2495 17.1384 17.1844 19.7750 19.7762 21.3645 21.3887 22.5922 22.5991 22.9229 22.9474 k = 0.3333 0.5774 0.3986 ( 630 PWs) bands (ev): -53.8872 -53.8872 -26.0798 -26.0614 -25.0693 -25.0581 -25.0485 -25.0166 8.1238 8.1322 11.6691 11.6790 12.9011 12.9102 15.3228 15.3256 17.1430 17.1894 19.7760 19.7772 21.4026 21.4249 22.5452 22.5531 23.0374 23.0620 k = 0.3333 0.5774 0.4071 ( 630 PWs) bands (ev): -53.8864 -53.8864 -26.0814 -26.0631 -25.0733 -25.0619 -25.0475 -25.0156 8.1344 8.1424 11.6465 11.6561 12.8625 12.8717 15.3957 15.3984 17.1475 17.1943 19.7763 19.7774 21.4404 21.4607 22.4986 22.5080 23.1507 23.1757 k = 0.3333 0.5774 0.4156 ( 630 PWs) bands (ev): -53.8857 -53.8857 -26.0828 -26.0646 -25.0769 -25.0655 -25.0465 -25.0146 8.1445 8.1520 11.6253 11.6347 12.8263 12.8358 15.4650 15.4678 17.1518 17.1990 19.7759 19.7770 21.4779 21.4961 22.4528 22.4639 23.2625 23.2880 k = 0.3333 0.5774 0.4241 ( 630 PWs) bands (ev): -53.8850 -53.8850 -26.0842 -26.0661 -25.0803 -25.0688 -25.0456 -25.0137 8.1539 8.1610 11.6058 11.6148 12.7927 12.8024 15.5304 15.5332 17.1560 17.2036 19.7750 19.7760 21.5153 21.5311 22.4077 22.4208 23.3721 23.3983 k = 0.3333 0.5774 0.4326 ( 636 PWs) bands (ev): -53.8844 -53.8844 -26.0856 -26.0675 -25.0835 -25.0719 -25.0450 -25.0130 8.1627 8.1693 11.5877 11.5966 12.7618 12.7717 15.5916 15.5945 17.1599 17.2077 19.7735 19.7745 21.5523 21.5657 22.3634 22.3788 23.4791 23.5060 k = 0.3333 0.5774 0.4411 ( 636 PWs) bands (ev): -53.8838 -53.8838 -26.0868 -26.0688 -25.0863 -25.0746 -25.0442 -25.0123 8.1708 8.1770 11.5713 11.5800 12.7336 12.7437 15.6483 15.6512 17.1636 17.2117 19.7717 19.7727 21.5892 21.5999 22.3199 22.3378 23.5827 23.6104 k = 0.3333 0.5774 0.4495 ( 636 PWs) bands (ev): -53.8833 -53.8833 -26.0878 -26.0699 -25.0888 -25.0771 -25.0435 -25.0116 8.1781 8.1840 11.5566 11.5651 12.7082 12.7185 15.7000 15.7029 17.1670 17.2154 19.7697 19.7706 21.6259 21.6337 22.2773 22.2981 23.6820 23.7105 k = 0.3333 0.5774 0.4580 ( 636 PWs) bands (ev): -53.8828 -53.8828 -26.0888 -26.0709 -25.0910 -25.0792 -25.0430 -25.0110 8.1847 8.1903 11.5436 11.5519 12.6857 12.6961 15.7466 15.7495 17.1701 17.2188 19.7675 19.7684 21.6624 21.6667 22.2355 22.2597 23.7759 23.8053 k = 0.3333 0.5774 0.4665 ( 636 PWs) bands (ev): -53.8824 -53.8824 -26.0897 -26.0718 -25.0930 -25.0811 -25.0424 -25.0105 8.1905 8.1958 11.5322 11.5404 12.6660 12.6766 15.7876 15.7906 17.1728 17.2217 19.7653 19.7662 21.6985 21.6989 22.1948 22.2229 23.8631 23.8933 k = 0.3333 0.5774 0.4750 ( 636 PWs) bands (ev): -53.8821 -53.8821 -26.0904 -26.0726 -25.0946 -25.0827 -25.0420 -25.0100 8.1955 8.2005 11.5226 11.5306 12.6493 12.6600 15.8229 15.8258 17.1752 17.2242 19.7632 19.7640 21.7298 21.7342 22.1553 22.1880 23.9419 23.9730 k = 0.3333 0.5774 0.4835 ( 639 PWs) bands (ev): -53.8818 -53.8818 -26.0910 -26.0732 -25.0960 -25.0840 -25.0417 -25.0097 8.1995 8.2043 11.5146 11.5226 12.6356 12.6464 15.8521 15.8550 17.1771 17.2263 19.7614 19.7622 21.7587 21.7689 22.1173 22.1557 24.0104 24.0424 k = 0.3333 0.5774 0.4919 ( 636 PWs) bands (ev): -53.8816 -53.8816 -26.0914 -26.0737 -25.0970 -25.0850 -25.0414 -25.0094 8.2027 8.2074 11.5085 11.5164 12.6249 12.6358 15.8750 15.8780 17.1787 17.2280 19.7601 19.7609 21.7849 21.8022 22.0815 22.1269 24.0668 24.0995 k = 0.3333 0.5774 0.5004 ( 636 PWs) bands (ev): -53.8814 -53.8814 -26.0918 -26.0741 -25.0977 -25.0857 -25.0412 -25.0092 8.2050 8.2096 11.5041 11.5119 12.6172 12.6282 15.8915 15.8945 17.1798 17.2292 19.7589 19.7597 21.8066 21.8323 22.0496 22.1034 24.1089 24.1423 k = 0.3333 0.5774 0.5089 ( 636 PWs) bands (ev): -53.8813 -53.8813 -26.0920 -26.0743 -25.0982 -25.0862 -25.0411 -25.0091 8.2064 8.2109 11.5014 11.5092 12.6126 12.6236 15.9015 15.9045 17.1805 17.2299 19.7582 19.7589 21.8214 21.8556 22.0252 22.0876 24.1350 24.1688 k = 0.3333 0.5774 0.5174 ( 636 PWs) bands (ev): -53.8813 -53.8813 -26.0921 -26.0744 -25.0983 -25.0863 -25.0410 -25.0091 8.2069 8.2114 11.5005 11.5083 12.6111 12.6221 15.9048 15.9078 17.1807 17.2301 19.7579 19.7587 21.8267 21.8651 22.0154 22.0819 24.1439 24.1778 Writing output data file CrC.save init_run : 2.04s CPU 12.83s WALL ( 1 calls) electrons : 136.25s CPU 141.23s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.16s CPU 1.22s WALL ( 1 calls) Called by electrons: c_bands : 136.23s CPU 140.97s WALL ( 1 calls) v_of_rho : 0.05s CPU 0.72s WALL ( 1 calls) v_h : 0.00s CPU 0.01s WALL ( 1 calls) v_xc : 0.04s CPU 0.31s WALL ( 1 calls) newd : 0.20s CPU 0.40s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.06s WALL ( 562 calls) cegterg : 100.42s CPU 101.56s WALL ( 562 calls) Called by sum_band: Called by *egterg: h_psi : 51.60s CPU 55.47s WALL ( 8302 calls) s_psi : 3.13s CPU 4.11s WALL ( 8302 calls) g_psi : 0.02s CPU 0.07s WALL ( 7178 calls) cdiaghg : 32.43s CPU 31.75s WALL ( 7740 calls) cegterg:over : 10.83s CPU 8.65s WALL ( 7178 calls) cegterg:upda : 0.10s CPU 0.74s WALL ( 7178 calls) cegterg:last : 0.14s CPU 0.62s WALL ( 2189 calls) Called by h_psi: h_psi:vloc : 43.33s CPU 47.39s WALL ( 8302 calls) h_psi:vnl : 8.25s CPU 8.02s WALL ( 8302 calls) add_vuspsi : 0.88s CPU 2.60s WALL ( 8302 calls) General routines calbec : 7.35s CPU 5.36s WALL ( 8302 calls) fft : 0.16s CPU 1.05s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 41.41s CPU 45.40s WALL ( 696056 calls) interpolate : 0.01s CPU 0.02s WALL ( 4 calls) davcio : 0.02s CPU 1.67s WALL ( 1124 calls) Parallel routines fft_scatter : 30.32s CPU 34.40s WALL ( 696079 calls) PWSCF : 2m48.32s CPU 16m36.73s WALL This run was terminated on: 17:48:32 30Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=