Program PWSCF v.5.1.1 starts on 30Jul2015 at 17:31:16 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: ./VN.save/ file V.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3P 3P 3D 3D 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 25 7 2 677 105 20 Max 26 8 3 681 116 23 Sum 1201 361 121 32537 5279 1021 bravais-lattice index = 14 lattice parameter (alat) = 5.2005 a.u. unit-cell volume = 117.4252 (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 = 48.0000 Ry charge density cutoff = 646.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.200526 celldm(2)= 1.000000 celldm(3)= 0.964026 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 0.964026 ) 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 1.037316 ) PseudoPot. # 1 for N read from file: /home/autes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for V read from file: /home/autes/Pseudo/V.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 97c593a54d8a0043da5648c660d67431 Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1181 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential N 5.00 14.00670 N( 1.00) V 13.00 50.94150 V( 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= 553 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018083 k( 2) = ( 0.0075758 0.0043739 -0.0000000), wk = 0.0018083 k( 3) = ( 0.0151515 0.0087477 -0.0000000), wk = 0.0018083 k( 4) = ( 0.0227273 0.0131216 -0.0000000), wk = 0.0018083 k( 5) = ( 0.0303030 0.0174955 -0.0000000), wk = 0.0018083 k( 6) = ( 0.0378788 0.0218693 -0.0000000), wk = 0.0018083 k( 7) = ( 0.0454546 0.0262432 -0.0000000), wk = 0.0018083 k( 8) = ( 0.0530303 0.0306171 -0.0000000), wk = 0.0018083 k( 9) = ( 0.0606061 0.0349909 -0.0000000), wk = 0.0018083 k( 10) = ( 0.0681818 0.0393648 -0.0000000), wk = 0.0018083 k( 11) = ( 0.0757576 0.0437387 -0.0000000), wk = 0.0018083 k( 12) = ( 0.0833333 0.0481125 -0.0000000), wk = 0.0018083 k( 13) = ( 0.0909091 0.0524864 -0.0000000), wk = 0.0018083 k( 14) = ( 0.0984848 0.0568603 -0.0000000), wk = 0.0018083 k( 15) = ( 0.1060606 0.0612341 -0.0000000), wk = 0.0018083 k( 16) = ( 0.1136364 0.0656080 -0.0000000), wk = 0.0018083 k( 17) = ( 0.1212121 0.0699819 -0.0000000), wk = 0.0018083 k( 18) = ( 0.1287879 0.0743557 -0.0000000), wk = 0.0018083 k( 19) = ( 0.1363636 0.0787296 -0.0000000), wk = 0.0018083 k( 20) = ( 0.1439394 0.0831034 -0.0000000), wk = 0.0018083 k( 21) = ( 0.1515151 0.0874773 -0.0000000), wk = 0.0018083 k( 22) = ( 0.1590909 0.0918512 -0.0000000), wk = 0.0018083 k( 23) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0018083 k( 24) = ( 0.1742424 0.1005989 -0.0000000), wk = 0.0018083 k( 25) = ( 0.1818182 0.1049728 -0.0000000), wk = 0.0018083 k( 26) = ( 0.1893939 0.1093466 -0.0000000), wk = 0.0018083 k( 27) = ( 0.1969697 0.1137205 -0.0000000), wk = 0.0018083 k( 28) = ( 0.2045454 0.1180944 -0.0000000), wk = 0.0018083 k( 29) = ( 0.2121212 0.1224682 -0.0000000), wk = 0.0018083 k( 30) = ( 0.2196970 0.1268421 -0.0000000), wk = 0.0018083 k( 31) = ( 0.2272727 0.1312160 -0.0000000), wk = 0.0018083 k( 32) = ( 0.2348485 0.1355898 -0.0000000), wk = 0.0018083 k( 33) = ( 0.2424242 0.1399637 -0.0000000), wk = 0.0018083 k( 34) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0018083 k( 35) = ( 0.2575758 0.1487114 -0.0000000), wk = 0.0018083 k( 36) = ( 0.2651515 0.1530853 -0.0000000), wk = 0.0018083 k( 37) = ( 0.2727273 0.1574592 -0.0000000), wk = 0.0018083 k( 38) = ( 0.2803030 0.1618330 -0.0000000), wk = 0.0018083 k( 39) = ( 0.2878788 0.1662069 -0.0000000), wk = 0.0018083 k( 40) = ( 0.2954545 0.1705808 -0.0000000), wk = 0.0018083 k( 41) = ( 0.3030303 0.1749546 -0.0000000), wk = 0.0018083 k( 42) = ( 0.3106061 0.1793285 -0.0000000), wk = 0.0018083 k( 43) = ( 0.3181818 0.1837024 -0.0000000), wk = 0.0018083 k( 44) = ( 0.3257576 0.1880762 -0.0000000), wk = 0.0018083 k( 45) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0018083 k( 46) = ( 0.3409091 0.1968240 -0.0000000), wk = 0.0018083 k( 47) = ( 0.3484849 0.2011978 -0.0000000), wk = 0.0018083 k( 48) = ( 0.3560606 0.2055717 -0.0000000), wk = 0.0018083 k( 49) = ( 0.3636364 0.2099456 -0.0000000), wk = 0.0018083 k( 50) = ( 0.3712121 0.2143194 -0.0000000), wk = 0.0018083 k( 51) = ( 0.3787879 0.2186933 -0.0000000), wk = 0.0018083 k( 52) = ( 0.3863636 0.2230672 -0.0000000), wk = 0.0018083 k( 53) = ( 0.3939394 0.2274410 -0.0000000), wk = 0.0018083 k( 54) = ( 0.4015151 0.2318149 -0.0000000), wk = 0.0018083 k( 55) = ( 0.4090909 0.2361887 -0.0000000), wk = 0.0018083 k( 56) = ( 0.4166667 0.2405626 -0.0000000), wk = 0.0018083 k( 57) = ( 0.4242424 0.2449365 -0.0000000), wk = 0.0018083 k( 58) = ( 0.4318182 0.2493103 -0.0000000), wk = 0.0018083 k( 59) = ( 0.4393939 0.2536842 -0.0000000), wk = 0.0018083 k( 60) = ( 0.4469697 0.2580581 -0.0000000), wk = 0.0018083 k( 61) = ( 0.4545455 0.2624319 -0.0000000), wk = 0.0018083 k( 62) = ( 0.4621212 0.2668058 -0.0000000), wk = 0.0018083 k( 63) = ( 0.4696970 0.2711797 -0.0000000), wk = 0.0018083 k( 64) = ( 0.4772727 0.2755535 -0.0000000), wk = 0.0018083 k( 65) = ( 0.4848485 0.2799274 -0.0000000), wk = 0.0018083 k( 66) = ( 0.4924242 0.2843013 -0.0000000), wk = 0.0018083 k( 67) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0018083 k( 68) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0018083 k( 69) = ( 0.4957265 0.2960771 -0.0000000), wk = 0.0018083 k( 70) = ( 0.4914530 0.3034790 -0.0000000), wk = 0.0018083 k( 71) = ( 0.4871795 0.3108809 -0.0000000), wk = 0.0018083 k( 72) = ( 0.4829060 0.3182828 -0.0000000), wk = 0.0018083 k( 73) = ( 0.4786325 0.3256848 -0.0000000), wk = 0.0018083 k( 74) = ( 0.4743590 0.3330867 -0.0000000), wk = 0.0018083 k( 75) = ( 0.4700855 0.3404886 -0.0000000), wk = 0.0018083 k( 76) = ( 0.4658120 0.3478906 -0.0000000), wk = 0.0018083 k( 77) = ( 0.4615385 0.3552925 -0.0000000), wk = 0.0018083 k( 78) = ( 0.4572650 0.3626944 -0.0000000), wk = 0.0018083 k( 79) = ( 0.4529915 0.3700963 -0.0000000), wk = 0.0018083 k( 80) = ( 0.4487179 0.3774983 -0.0000000), wk = 0.0018083 k( 81) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0018083 k( 82) = ( 0.4401709 0.3923021 -0.0000000), wk = 0.0018083 k( 83) = ( 0.4358974 0.3997040 -0.0000000), wk = 0.0018083 k( 84) = ( 0.4316239 0.4071060 -0.0000000), wk = 0.0018083 k( 85) = ( 0.4273504 0.4145079 -0.0000000), wk = 0.0018083 k( 86) = ( 0.4230769 0.4219098 -0.0000000), wk = 0.0018083 k( 87) = ( 0.4188034 0.4293117 -0.0000000), wk = 0.0018083 k( 88) = ( 0.4145299 0.4367137 -0.0000000), wk = 0.0018083 k( 89) = ( 0.4102564 0.4441156 -0.0000000), wk = 0.0018083 k( 90) = ( 0.4059829 0.4515175 -0.0000000), wk = 0.0018083 k( 91) = ( 0.4017094 0.4589194 -0.0000000), wk = 0.0018083 k( 92) = ( 0.3974359 0.4663214 -0.0000000), wk = 0.0018083 k( 93) = ( 0.3931624 0.4737233 -0.0000000), wk = 0.0018083 k( 94) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0018083 k( 95) = ( 0.3846154 0.4885271 -0.0000000), wk = 0.0018083 k( 96) = ( 0.3803419 0.4959291 -0.0000000), wk = 0.0018083 k( 97) = ( 0.3760684 0.5033310 -0.0000000), wk = 0.0018083 k( 98) = ( 0.3717949 0.5107329 -0.0000000), wk = 0.0018083 k( 99) = ( 0.3675214 0.5181349 -0.0000000), wk = 0.0018083 k( 100) = ( 0.3632479 0.5255368 -0.0000000), wk = 0.0018083 k( 101) = ( 0.3589744 0.5329387 -0.0000000), wk = 0.0018083 k( 102) = ( 0.3547009 0.5403406 -0.0000000), wk = 0.0018083 k( 103) = ( 0.3504274 0.5477426 -0.0000000), wk = 0.0018083 k( 104) = ( 0.3461538 0.5551445 -0.0000000), wk = 0.0018083 k( 105) = ( 0.3418803 0.5625464 -0.0000000), wk = 0.0018083 k( 106) = ( 0.3376068 0.5699483 -0.0000000), wk = 0.0018083 k( 107) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0018083 k( 108) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0018083 k( 109) = ( 0.3290043 0.5698522 -0.0000000), wk = 0.0018083 k( 110) = ( 0.3246753 0.5623542 -0.0000000), wk = 0.0018083 k( 111) = ( 0.3203463 0.5548561 -0.0000000), wk = 0.0018083 k( 112) = ( 0.3160173 0.5473581 -0.0000000), wk = 0.0018083 k( 113) = ( 0.3116883 0.5398600 -0.0000000), wk = 0.0018083 k( 114) = ( 0.3073593 0.5323619 -0.0000000), wk = 0.0018083 k( 115) = ( 0.3030303 0.5248639 -0.0000000), wk = 0.0018083 k( 116) = ( 0.2987013 0.5173658 -0.0000000), wk = 0.0018083 k( 117) = ( 0.2943723 0.5098678 -0.0000000), wk = 0.0018083 k( 118) = ( 0.2900433 0.5023697 -0.0000000), wk = 0.0018083 k( 119) = ( 0.2857143 0.4948717 -0.0000000), wk = 0.0018083 k( 120) = ( 0.2813853 0.4873736 -0.0000000), wk = 0.0018083 k( 121) = ( 0.2770563 0.4798756 -0.0000000), wk = 0.0018083 k( 122) = ( 0.2727273 0.4723775 -0.0000000), wk = 0.0018083 k( 123) = ( 0.2683983 0.4648794 -0.0000000), wk = 0.0018083 k( 124) = ( 0.2640693 0.4573814 -0.0000000), wk = 0.0018083 k( 125) = ( 0.2597403 0.4498833 -0.0000000), wk = 0.0018083 k( 126) = ( 0.2554113 0.4423853 -0.0000000), wk = 0.0018083 k( 127) = ( 0.2510823 0.4348872 -0.0000000), wk = 0.0018083 k( 128) = ( 0.2467533 0.4273892 -0.0000000), wk = 0.0018083 k( 129) = ( 0.2424242 0.4198911 -0.0000000), wk = 0.0018083 k( 130) = ( 0.2380952 0.4123931 -0.0000000), wk = 0.0018083 k( 131) = ( 0.2337662 0.4048950 -0.0000000), wk = 0.0018083 k( 132) = ( 0.2294372 0.3973969 -0.0000000), wk = 0.0018083 k( 133) = ( 0.2251082 0.3898989 -0.0000000), wk = 0.0018083 k( 134) = ( 0.2207792 0.3824008 -0.0000000), wk = 0.0018083 k( 135) = ( 0.2164502 0.3749028 -0.0000000), wk = 0.0018083 k( 136) = ( 0.2121212 0.3674047 -0.0000000), wk = 0.0018083 k( 137) = ( 0.2077922 0.3599067 -0.0000000), wk = 0.0018083 k( 138) = ( 0.2034632 0.3524086 -0.0000000), wk = 0.0018083 k( 139) = ( 0.1991342 0.3449106 -0.0000000), wk = 0.0018083 k( 140) = ( 0.1948052 0.3374125 -0.0000000), wk = 0.0018083 k( 141) = ( 0.1904762 0.3299144 -0.0000000), wk = 0.0018083 k( 142) = ( 0.1861472 0.3224164 -0.0000000), wk = 0.0018083 k( 143) = ( 0.1818182 0.3149183 -0.0000000), wk = 0.0018083 k( 144) = ( 0.1774892 0.3074203 -0.0000000), wk = 0.0018083 k( 145) = ( 0.1731602 0.2999222 -0.0000000), wk = 0.0018083 k( 146) = ( 0.1688312 0.2924242 -0.0000000), wk = 0.0018083 k( 147) = ( 0.1645022 0.2849261 -0.0000000), wk = 0.0018083 k( 148) = ( 0.1601732 0.2774281 -0.0000000), wk = 0.0018083 k( 149) = ( 0.1558442 0.2699300 -0.0000000), wk = 0.0018083 k( 150) = ( 0.1515151 0.2624319 -0.0000000), wk = 0.0018083 k( 151) = ( 0.1471861 0.2549339 -0.0000000), wk = 0.0018083 k( 152) = ( 0.1428571 0.2474358 -0.0000000), wk = 0.0018083 k( 153) = ( 0.1385281 0.2399378 -0.0000000), wk = 0.0018083 k( 154) = ( 0.1341991 0.2324397 -0.0000000), wk = 0.0018083 k( 155) = ( 0.1298701 0.2249417 -0.0000000), wk = 0.0018083 k( 156) = ( 0.1255411 0.2174436 -0.0000000), wk = 0.0018083 k( 157) = ( 0.1212121 0.2099456 -0.0000000), wk = 0.0018083 k( 158) = ( 0.1168831 0.2024475 -0.0000000), wk = 0.0018083 k( 159) = ( 0.1125541 0.1949494 -0.0000000), wk = 0.0018083 k( 160) = ( 0.1082251 0.1874514 -0.0000000), wk = 0.0018083 k( 161) = ( 0.1038961 0.1799533 -0.0000000), wk = 0.0018083 k( 162) = ( 0.0995671 0.1724553 -0.0000000), wk = 0.0018083 k( 163) = ( 0.0952381 0.1649572 -0.0000000), wk = 0.0018083 k( 164) = ( 0.0909091 0.1574592 -0.0000000), wk = 0.0018083 k( 165) = ( 0.0865801 0.1499611 -0.0000000), wk = 0.0018083 k( 166) = ( 0.0822511 0.1424630 -0.0000000), wk = 0.0018083 k( 167) = ( 0.0779221 0.1349650 -0.0000000), wk = 0.0018083 k( 168) = ( 0.0735931 0.1274669 -0.0000000), wk = 0.0018083 k( 169) = ( 0.0692641 0.1199689 -0.0000000), wk = 0.0018083 k( 170) = ( 0.0649351 0.1124708 -0.0000000), wk = 0.0018083 k( 171) = ( 0.0606061 0.1049728 -0.0000000), wk = 0.0018083 k( 172) = ( 0.0562771 0.0974747 -0.0000000), wk = 0.0018083 k( 173) = ( 0.0519481 0.0899767 -0.0000000), wk = 0.0018083 k( 174) = ( 0.0476191 0.0824786 -0.0000000), wk = 0.0018083 k( 175) = ( 0.0432900 0.0749805 -0.0000000), wk = 0.0018083 k( 176) = ( 0.0389610 0.0674825 -0.0000000), wk = 0.0018083 k( 177) = ( 0.0346320 0.0599844 -0.0000000), wk = 0.0018083 k( 178) = ( 0.0303030 0.0524864 -0.0000000), wk = 0.0018083 k( 179) = ( 0.0259740 0.0449883 -0.0000000), wk = 0.0018083 k( 180) = ( 0.0216450 0.0374903 -0.0000000), wk = 0.0018083 k( 181) = ( 0.0173160 0.0299922 -0.0000000), wk = 0.0018083 k( 182) = ( 0.0129870 0.0224942 -0.0000000), wk = 0.0018083 k( 183) = ( 0.0086580 0.0149961 -0.0000000), wk = 0.0018083 k( 184) = ( 0.0043290 0.0074980 -0.0000000), wk = 0.0018083 k( 185) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018083 k( 186) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018083 k( 187) = ( 0.0000000 0.0000000 0.0086443), wk = 0.0018083 k( 188) = ( 0.0000000 0.0000000 0.0172886), wk = 0.0018083 k( 189) = ( 0.0000000 0.0000000 0.0259329), wk = 0.0018083 k( 190) = ( 0.0000000 0.0000000 0.0345772), wk = 0.0018083 k( 191) = ( 0.0000000 0.0000000 0.0432215), wk = 0.0018083 k( 192) = ( 0.0000000 0.0000000 0.0518658), wk = 0.0018083 k( 193) = ( 0.0000000 0.0000000 0.0605101), wk = 0.0018083 k( 194) = ( 0.0000000 0.0000000 0.0691544), wk = 0.0018083 k( 195) = ( 0.0000000 0.0000000 0.0777987), wk = 0.0018083 k( 196) = ( 0.0000000 0.0000000 0.0864430), wk = 0.0018083 k( 197) = ( 0.0000000 0.0000000 0.0950873), wk = 0.0018083 k( 198) = ( 0.0000000 0.0000000 0.1037316), wk = 0.0018083 k( 199) = ( 0.0000000 0.0000000 0.1123759), wk = 0.0018083 k( 200) = ( 0.0000000 0.0000000 0.1210202), wk = 0.0018083 k( 201) = ( 0.0000000 0.0000000 0.1296645), wk = 0.0018083 k( 202) = ( 0.0000000 0.0000000 0.1383088), wk = 0.0018083 k( 203) = ( 0.0000000 0.0000000 0.1469531), wk = 0.0018083 k( 204) = ( 0.0000000 0.0000000 0.1555974), wk = 0.0018083 k( 205) = ( 0.0000000 0.0000000 0.1642417), wk = 0.0018083 k( 206) = ( 0.0000000 0.0000000 0.1728860), wk = 0.0018083 k( 207) = ( 0.0000000 0.0000000 0.1815303), wk = 0.0018083 k( 208) = ( 0.0000000 0.0000000 0.1901746), wk = 0.0018083 k( 209) = ( 0.0000000 0.0000000 0.1988190), wk = 0.0018083 k( 210) = ( 0.0000000 0.0000000 0.2074632), wk = 0.0018083 k( 211) = ( 0.0000000 0.0000000 0.2161075), wk = 0.0018083 k( 212) = ( 0.0000000 0.0000000 0.2247519), wk = 0.0018083 k( 213) = ( 0.0000000 0.0000000 0.2333962), wk = 0.0018083 k( 214) = ( 0.0000000 0.0000000 0.2420405), wk = 0.0018083 k( 215) = ( 0.0000000 0.0000000 0.2506848), wk = 0.0018083 k( 216) = ( 0.0000000 0.0000000 0.2593291), wk = 0.0018083 k( 217) = ( 0.0000000 0.0000000 0.2679734), wk = 0.0018083 k( 218) = ( 0.0000000 0.0000000 0.2766177), wk = 0.0018083 k( 219) = ( 0.0000000 0.0000000 0.2852620), wk = 0.0018083 k( 220) = ( 0.0000000 0.0000000 0.2939063), wk = 0.0018083 k( 221) = ( 0.0000000 0.0000000 0.3025506), wk = 0.0018083 k( 222) = ( 0.0000000 0.0000000 0.3111949), wk = 0.0018083 k( 223) = ( 0.0000000 0.0000000 0.3198392), wk = 0.0018083 k( 224) = ( 0.0000000 0.0000000 0.3284835), wk = 0.0018083 k( 225) = ( 0.0000000 0.0000000 0.3371278), wk = 0.0018083 k( 226) = ( 0.0000000 0.0000000 0.3457721), wk = 0.0018083 k( 227) = ( 0.0000000 0.0000000 0.3544164), wk = 0.0018083 k( 228) = ( 0.0000000 0.0000000 0.3630607), wk = 0.0018083 k( 229) = ( 0.0000000 0.0000000 0.3717050), wk = 0.0018083 k( 230) = ( 0.0000000 0.0000000 0.3803493), wk = 0.0018083 k( 231) = ( 0.0000000 0.0000000 0.3889936), wk = 0.0018083 k( 232) = ( 0.0000000 0.0000000 0.3976379), wk = 0.0018083 k( 233) = ( 0.0000000 0.0000000 0.4062822), wk = 0.0018083 k( 234) = ( 0.0000000 0.0000000 0.4149265), wk = 0.0018083 k( 235) = ( 0.0000000 0.0000000 0.4235708), wk = 0.0018083 k( 236) = ( 0.0000000 0.0000000 0.4322151), wk = 0.0018083 k( 237) = ( 0.0000000 0.0000000 0.4408594), wk = 0.0018083 k( 238) = ( 0.0000000 0.0000000 0.4495037), wk = 0.0018083 k( 239) = ( 0.0000000 0.0000000 0.4581480), wk = 0.0018083 k( 240) = ( 0.0000000 0.0000000 0.4667923), wk = 0.0018083 k( 241) = ( 0.0000000 0.0000000 0.4754366), wk = 0.0018083 k( 242) = ( 0.0000000 0.0000000 0.4840809), wk = 0.0018083 k( 243) = ( 0.0000000 0.0000000 0.4927252), wk = 0.0018083 k( 244) = ( 0.0000000 0.0000000 0.5013695), wk = 0.0018083 k( 245) = ( 0.0000000 0.0000000 0.5100138), wk = 0.0018083 k( 246) = ( 0.0000000 0.0000000 0.5186581), wk = 0.0018083 k( 247) = ( 0.0000000 0.0000000 0.5186581), wk = 0.0018083 k( 248) = ( 0.0075758 0.0043739 0.5186581), wk = 0.0018083 k( 249) = ( 0.0151515 0.0087477 0.5186581), wk = 0.0018083 k( 250) = ( 0.0227273 0.0131216 0.5186581), wk = 0.0018083 k( 251) = ( 0.0303030 0.0174955 0.5186581), wk = 0.0018083 k( 252) = ( 0.0378788 0.0218693 0.5186581), wk = 0.0018083 k( 253) = ( 0.0454546 0.0262432 0.5186581), wk = 0.0018083 k( 254) = ( 0.0530303 0.0306171 0.5186581), wk = 0.0018083 k( 255) = ( 0.0606061 0.0349909 0.5186581), wk = 0.0018083 k( 256) = ( 0.0681818 0.0393648 0.5186581), wk = 0.0018083 k( 257) = ( 0.0757576 0.0437387 0.5186581), wk = 0.0018083 k( 258) = ( 0.0833333 0.0481125 0.5186581), wk = 0.0018083 k( 259) = ( 0.0909091 0.0524864 0.5186581), wk = 0.0018083 k( 260) = ( 0.0984848 0.0568603 0.5186581), wk = 0.0018083 k( 261) = ( 0.1060606 0.0612341 0.5186581), wk = 0.0018083 k( 262) = ( 0.1136364 0.0656080 0.5186581), wk = 0.0018083 k( 263) = ( 0.1212121 0.0699819 0.5186581), wk = 0.0018083 k( 264) = ( 0.1287879 0.0743557 0.5186581), wk = 0.0018083 k( 265) = ( 0.1363636 0.0787296 0.5186581), wk = 0.0018083 k( 266) = ( 0.1439394 0.0831034 0.5186581), wk = 0.0018083 k( 267) = ( 0.1515151 0.0874773 0.5186581), wk = 0.0018083 k( 268) = ( 0.1590909 0.0918512 0.5186581), wk = 0.0018083 k( 269) = ( 0.1666667 0.0962250 0.5186581), wk = 0.0018083 k( 270) = ( 0.1742424 0.1005989 0.5186581), wk = 0.0018083 k( 271) = ( 0.1818182 0.1049728 0.5186581), wk = 0.0018083 k( 272) = ( 0.1893939 0.1093466 0.5186581), wk = 0.0018083 k( 273) = ( 0.1969697 0.1137205 0.5186581), wk = 0.0018083 k( 274) = ( 0.2045454 0.1180944 0.5186581), wk = 0.0018083 k( 275) = ( 0.2121212 0.1224682 0.5186581), wk = 0.0018083 k( 276) = ( 0.2196970 0.1268421 0.5186581), wk = 0.0018083 k( 277) = ( 0.2272727 0.1312160 0.5186581), wk = 0.0018083 k( 278) = ( 0.2348485 0.1355898 0.5186581), wk = 0.0018083 k( 279) = ( 0.2424242 0.1399637 0.5186581), wk = 0.0018083 k( 280) = ( 0.2500000 0.1443376 0.5186581), wk = 0.0018083 k( 281) = ( 0.2575758 0.1487114 0.5186581), wk = 0.0018083 k( 282) = ( 0.2651515 0.1530853 0.5186581), wk = 0.0018083 k( 283) = ( 0.2727273 0.1574592 0.5186581), wk = 0.0018083 k( 284) = ( 0.2803030 0.1618330 0.5186581), wk = 0.0018083 k( 285) = ( 0.2878788 0.1662069 0.5186581), wk = 0.0018083 k( 286) = ( 0.2954545 0.1705808 0.5186581), wk = 0.0018083 k( 287) = ( 0.3030303 0.1749546 0.5186581), wk = 0.0018083 k( 288) = ( 0.3106061 0.1793285 0.5186581), wk = 0.0018083 k( 289) = ( 0.3181818 0.1837024 0.5186581), wk = 0.0018083 k( 290) = ( 0.3257576 0.1880762 0.5186581), wk = 0.0018083 k( 291) = ( 0.3333333 0.1924501 0.5186581), wk = 0.0018083 k( 292) = ( 0.3409091 0.1968240 0.5186581), wk = 0.0018083 k( 293) = ( 0.3484849 0.2011978 0.5186581), wk = 0.0018083 k( 294) = ( 0.3560606 0.2055717 0.5186581), wk = 0.0018083 k( 295) = ( 0.3636364 0.2099456 0.5186581), wk = 0.0018083 k( 296) = ( 0.3712121 0.2143194 0.5186581), wk = 0.0018083 k( 297) = ( 0.3787879 0.2186933 0.5186581), wk = 0.0018083 k( 298) = ( 0.3863636 0.2230672 0.5186581), wk = 0.0018083 k( 299) = ( 0.3939394 0.2274410 0.5186581), wk = 0.0018083 k( 300) = ( 0.4015151 0.2318149 0.5186581), wk = 0.0018083 k( 301) = ( 0.4090909 0.2361887 0.5186581), wk = 0.0018083 k( 302) = ( 0.4166667 0.2405626 0.5186581), wk = 0.0018083 k( 303) = ( 0.4242424 0.2449365 0.5186581), wk = 0.0018083 k( 304) = ( 0.4318182 0.2493103 0.5186581), wk = 0.0018083 k( 305) = ( 0.4393939 0.2536842 0.5186581), wk = 0.0018083 k( 306) = ( 0.4469697 0.2580581 0.5186581), wk = 0.0018083 k( 307) = ( 0.4545455 0.2624319 0.5186581), wk = 0.0018083 k( 308) = ( 0.4621212 0.2668058 0.5186581), wk = 0.0018083 k( 309) = ( 0.4696970 0.2711797 0.5186581), wk = 0.0018083 k( 310) = ( 0.4772727 0.2755535 0.5186581), wk = 0.0018083 k( 311) = ( 0.4848485 0.2799274 0.5186581), wk = 0.0018083 k( 312) = ( 0.4924242 0.2843013 0.5186581), wk = 0.0018083 k( 313) = ( 0.5000000 0.2886751 0.5186581), wk = 0.0018083 k( 314) = ( 0.5000000 0.2886751 0.5186581), wk = 0.0018083 k( 315) = ( 0.4957265 0.2960771 0.5186581), wk = 0.0018083 k( 316) = ( 0.4914530 0.3034790 0.5186581), wk = 0.0018083 k( 317) = ( 0.4871795 0.3108809 0.5186581), wk = 0.0018083 k( 318) = ( 0.4829060 0.3182828 0.5186581), wk = 0.0018083 k( 319) = ( 0.4786325 0.3256848 0.5186581), wk = 0.0018083 k( 320) = ( 0.4743590 0.3330867 0.5186581), wk = 0.0018083 k( 321) = ( 0.4700855 0.3404886 0.5186581), wk = 0.0018083 k( 322) = ( 0.4658120 0.3478906 0.5186581), wk = 0.0018083 k( 323) = ( 0.4615385 0.3552925 0.5186581), wk = 0.0018083 k( 324) = ( 0.4572650 0.3626944 0.5186581), wk = 0.0018083 k( 325) = ( 0.4529915 0.3700963 0.5186581), wk = 0.0018083 k( 326) = ( 0.4487179 0.3774983 0.5186581), wk = 0.0018083 k( 327) = ( 0.4444444 0.3849002 0.5186581), wk = 0.0018083 k( 328) = ( 0.4401709 0.3923021 0.5186581), wk = 0.0018083 k( 329) = ( 0.4358974 0.3997040 0.5186581), wk = 0.0018083 k( 330) = ( 0.4316239 0.4071060 0.5186581), wk = 0.0018083 k( 331) = ( 0.4273504 0.4145079 0.5186581), wk = 0.0018083 k( 332) = ( 0.4230769 0.4219098 0.5186581), wk = 0.0018083 k( 333) = ( 0.4188034 0.4293117 0.5186581), wk = 0.0018083 k( 334) = ( 0.4145299 0.4367137 0.5186581), wk = 0.0018083 k( 335) = ( 0.4102564 0.4441156 0.5186581), wk = 0.0018083 k( 336) = ( 0.4059829 0.4515175 0.5186581), wk = 0.0018083 k( 337) = ( 0.4017094 0.4589194 0.5186581), wk = 0.0018083 k( 338) = ( 0.3974359 0.4663214 0.5186581), wk = 0.0018083 k( 339) = ( 0.3931624 0.4737233 0.5186581), wk = 0.0018083 k( 340) = ( 0.3888889 0.4811252 0.5186581), wk = 0.0018083 k( 341) = ( 0.3846154 0.4885271 0.5186581), wk = 0.0018083 k( 342) = ( 0.3803419 0.4959291 0.5186581), wk = 0.0018083 k( 343) = ( 0.3760684 0.5033310 0.5186581), wk = 0.0018083 k( 344) = ( 0.3717949 0.5107329 0.5186581), wk = 0.0018083 k( 345) = ( 0.3675214 0.5181349 0.5186581), wk = 0.0018083 k( 346) = ( 0.3632479 0.5255368 0.5186581), wk = 0.0018083 k( 347) = ( 0.3589744 0.5329387 0.5186581), wk = 0.0018083 k( 348) = ( 0.3547009 0.5403406 0.5186581), wk = 0.0018083 k( 349) = ( 0.3504274 0.5477426 0.5186581), wk = 0.0018083 k( 350) = ( 0.3461538 0.5551445 0.5186581), wk = 0.0018083 k( 351) = ( 0.3418803 0.5625464 0.5186581), wk = 0.0018083 k( 352) = ( 0.3376068 0.5699483 0.5186581), wk = 0.0018083 k( 353) = ( 0.3333333 0.5773503 0.5186581), wk = 0.0018083 k( 354) = ( 0.3333333 0.5773503 0.5186581), wk = 0.0018083 k( 355) = ( 0.3290043 0.5698522 0.5186581), wk = 0.0018083 k( 356) = ( 0.3246753 0.5623542 0.5186581), wk = 0.0018083 k( 357) = ( 0.3203463 0.5548561 0.5186581), wk = 0.0018083 k( 358) = ( 0.3160173 0.5473581 0.5186581), wk = 0.0018083 k( 359) = ( 0.3116883 0.5398600 0.5186581), wk = 0.0018083 k( 360) = ( 0.3073593 0.5323619 0.5186581), wk = 0.0018083 k( 361) = ( 0.3030303 0.5248639 0.5186581), wk = 0.0018083 k( 362) = ( 0.2987013 0.5173658 0.5186581), wk = 0.0018083 k( 363) = ( 0.2943723 0.5098678 0.5186581), wk = 0.0018083 k( 364) = ( 0.2900433 0.5023697 0.5186581), wk = 0.0018083 k( 365) = ( 0.2857143 0.4948717 0.5186581), wk = 0.0018083 k( 366) = ( 0.2813853 0.4873736 0.5186581), wk = 0.0018083 k( 367) = ( 0.2770563 0.4798756 0.5186581), wk = 0.0018083 k( 368) = ( 0.2727273 0.4723775 0.5186581), wk = 0.0018083 k( 369) = ( 0.2683983 0.4648794 0.5186581), wk = 0.0018083 k( 370) = ( 0.2640693 0.4573814 0.5186581), wk = 0.0018083 k( 371) = ( 0.2597403 0.4498833 0.5186581), wk = 0.0018083 k( 372) = ( 0.2554113 0.4423853 0.5186581), wk = 0.0018083 k( 373) = ( 0.2510823 0.4348872 0.5186581), wk = 0.0018083 k( 374) = ( 0.2467533 0.4273892 0.5186581), wk = 0.0018083 k( 375) = ( 0.2424242 0.4198911 0.5186581), wk = 0.0018083 k( 376) = ( 0.2380952 0.4123931 0.5186581), wk = 0.0018083 k( 377) = ( 0.2337662 0.4048950 0.5186581), wk = 0.0018083 k( 378) = ( 0.2294372 0.3973969 0.5186581), wk = 0.0018083 k( 379) = ( 0.2251082 0.3898989 0.5186581), wk = 0.0018083 k( 380) = ( 0.2207792 0.3824008 0.5186581), wk = 0.0018083 k( 381) = ( 0.2164502 0.3749028 0.5186581), wk = 0.0018083 k( 382) = ( 0.2121212 0.3674047 0.5186581), wk = 0.0018083 k( 383) = ( 0.2077922 0.3599067 0.5186581), wk = 0.0018083 k( 384) = ( 0.2034632 0.3524086 0.5186581), wk = 0.0018083 k( 385) = ( 0.1991342 0.3449106 0.5186581), wk = 0.0018083 k( 386) = ( 0.1948052 0.3374125 0.5186581), wk = 0.0018083 k( 387) = ( 0.1904762 0.3299144 0.5186581), wk = 0.0018083 k( 388) = ( 0.1861472 0.3224164 0.5186581), wk = 0.0018083 k( 389) = ( 0.1818182 0.3149183 0.5186581), wk = 0.0018083 k( 390) = ( 0.1774892 0.3074203 0.5186581), wk = 0.0018083 k( 391) = ( 0.1731602 0.2999222 0.5186581), wk = 0.0018083 k( 392) = ( 0.1688312 0.2924242 0.5186581), wk = 0.0018083 k( 393) = ( 0.1645022 0.2849261 0.5186581), wk = 0.0018083 k( 394) = ( 0.1601732 0.2774281 0.5186581), wk = 0.0018083 k( 395) = ( 0.1558442 0.2699300 0.5186581), wk = 0.0018083 k( 396) = ( 0.1515151 0.2624319 0.5186581), wk = 0.0018083 k( 397) = ( 0.1471861 0.2549339 0.5186581), wk = 0.0018083 k( 398) = ( 0.1428571 0.2474358 0.5186581), wk = 0.0018083 k( 399) = ( 0.1385281 0.2399378 0.5186581), wk = 0.0018083 k( 400) = ( 0.1341991 0.2324397 0.5186581), wk = 0.0018083 k( 401) = ( 0.1298701 0.2249417 0.5186581), wk = 0.0018083 k( 402) = ( 0.1255411 0.2174436 0.5186581), wk = 0.0018083 k( 403) = ( 0.1212121 0.2099456 0.5186581), wk = 0.0018083 k( 404) = ( 0.1168831 0.2024475 0.5186581), wk = 0.0018083 k( 405) = ( 0.1125541 0.1949494 0.5186581), wk = 0.0018083 k( 406) = ( 0.1082251 0.1874514 0.5186581), wk = 0.0018083 k( 407) = ( 0.1038961 0.1799533 0.5186581), wk = 0.0018083 k( 408) = ( 0.0995671 0.1724553 0.5186581), wk = 0.0018083 k( 409) = ( 0.0952381 0.1649572 0.5186581), wk = 0.0018083 k( 410) = ( 0.0909091 0.1574592 0.5186581), wk = 0.0018083 k( 411) = ( 0.0865801 0.1499611 0.5186581), wk = 0.0018083 k( 412) = ( 0.0822511 0.1424630 0.5186581), wk = 0.0018083 k( 413) = ( 0.0779221 0.1349650 0.5186581), wk = 0.0018083 k( 414) = ( 0.0735931 0.1274669 0.5186581), wk = 0.0018083 k( 415) = ( 0.0692641 0.1199689 0.5186581), wk = 0.0018083 k( 416) = ( 0.0649351 0.1124708 0.5186581), wk = 0.0018083 k( 417) = ( 0.0606061 0.1049728 0.5186581), wk = 0.0018083 k( 418) = ( 0.0562771 0.0974747 0.5186581), wk = 0.0018083 k( 419) = ( 0.0519481 0.0899767 0.5186581), wk = 0.0018083 k( 420) = ( 0.0476191 0.0824786 0.5186581), wk = 0.0018083 k( 421) = ( 0.0432900 0.0749805 0.5186581), wk = 0.0018083 k( 422) = ( 0.0389610 0.0674825 0.5186581), wk = 0.0018083 k( 423) = ( 0.0346320 0.0599844 0.5186581), wk = 0.0018083 k( 424) = ( 0.0303030 0.0524864 0.5186581), wk = 0.0018083 k( 425) = ( 0.0259740 0.0449883 0.5186581), wk = 0.0018083 k( 426) = ( 0.0216450 0.0374903 0.5186581), wk = 0.0018083 k( 427) = ( 0.0173160 0.0299922 0.5186581), wk = 0.0018083 k( 428) = ( 0.0129870 0.0224942 0.5186581), wk = 0.0018083 k( 429) = ( 0.0086580 0.0149961 0.5186581), wk = 0.0018083 k( 430) = ( 0.0043290 0.0074980 0.5186581), wk = 0.0018083 k( 431) = ( 0.0000000 0.0000000 0.5186581), wk = 0.0018083 k( 432) = ( 0.5000000 0.2886751 0.5186581), wk = 0.0018083 k( 433) = ( 0.5000000 0.2886751 0.5100138), wk = 0.0018083 k( 434) = ( 0.5000000 0.2886751 0.5013695), wk = 0.0018083 k( 435) = ( 0.5000000 0.2886751 0.4927252), wk = 0.0018083 k( 436) = ( 0.5000000 0.2886751 0.4840809), wk = 0.0018083 k( 437) = ( 0.5000000 0.2886751 0.4754366), wk = 0.0018083 k( 438) = ( 0.5000000 0.2886751 0.4667923), wk = 0.0018083 k( 439) = ( 0.5000000 0.2886751 0.4581480), wk = 0.0018083 k( 440) = ( 0.5000000 0.2886751 0.4495037), wk = 0.0018083 k( 441) = ( 0.5000000 0.2886751 0.4408594), wk = 0.0018083 k( 442) = ( 0.5000000 0.2886751 0.4322151), wk = 0.0018083 k( 443) = ( 0.5000000 0.2886751 0.4235708), wk = 0.0018083 k( 444) = ( 0.5000000 0.2886751 0.4149265), wk = 0.0018083 k( 445) = ( 0.5000000 0.2886751 0.4062822), wk = 0.0018083 k( 446) = ( 0.5000000 0.2886751 0.3976379), wk = 0.0018083 k( 447) = ( 0.5000000 0.2886751 0.3889936), wk = 0.0018083 k( 448) = ( 0.5000000 0.2886751 0.3803493), wk = 0.0018083 k( 449) = ( 0.5000000 0.2886751 0.3717050), wk = 0.0018083 k( 450) = ( 0.5000000 0.2886751 0.3630607), wk = 0.0018083 k( 451) = ( 0.5000000 0.2886751 0.3544164), wk = 0.0018083 k( 452) = ( 0.5000000 0.2886751 0.3457721), wk = 0.0018083 k( 453) = ( 0.5000000 0.2886751 0.3371278), wk = 0.0018083 k( 454) = ( 0.5000000 0.2886751 0.3284835), wk = 0.0018083 k( 455) = ( 0.5000000 0.2886751 0.3198392), wk = 0.0018083 k( 456) = ( 0.5000000 0.2886751 0.3111949), wk = 0.0018083 k( 457) = ( 0.5000000 0.2886751 0.3025506), wk = 0.0018083 k( 458) = ( 0.5000000 0.2886751 0.2939063), wk = 0.0018083 k( 459) = ( 0.5000000 0.2886751 0.2852620), wk = 0.0018083 k( 460) = ( 0.5000000 0.2886751 0.2766177), wk = 0.0018083 k( 461) = ( 0.5000000 0.2886751 0.2679734), wk = 0.0018083 k( 462) = ( 0.5000000 0.2886751 0.2593291), wk = 0.0018083 k( 463) = ( 0.5000000 0.2886751 0.2506848), wk = 0.0018083 k( 464) = ( 0.5000000 0.2886751 0.2420405), wk = 0.0018083 k( 465) = ( 0.5000000 0.2886751 0.2333962), wk = 0.0018083 k( 466) = ( 0.5000000 0.2886751 0.2247519), wk = 0.0018083 k( 467) = ( 0.5000000 0.2886751 0.2161075), wk = 0.0018083 k( 468) = ( 0.5000000 0.2886751 0.2074632), wk = 0.0018083 k( 469) = ( 0.5000000 0.2886751 0.1988190), wk = 0.0018083 k( 470) = ( 0.5000000 0.2886751 0.1901746), wk = 0.0018083 k( 471) = ( 0.5000000 0.2886751 0.1815303), wk = 0.0018083 k( 472) = ( 0.5000000 0.2886751 0.1728860), wk = 0.0018083 k( 473) = ( 0.5000000 0.2886751 0.1642417), wk = 0.0018083 k( 474) = ( 0.5000000 0.2886751 0.1555974), wk = 0.0018083 k( 475) = ( 0.5000000 0.2886751 0.1469531), wk = 0.0018083 k( 476) = ( 0.5000000 0.2886751 0.1383088), wk = 0.0018083 k( 477) = ( 0.5000000 0.2886751 0.1296645), wk = 0.0018083 k( 478) = ( 0.5000000 0.2886751 0.1210202), wk = 0.0018083 k( 479) = ( 0.5000000 0.2886751 0.1123759), wk = 0.0018083 k( 480) = ( 0.5000000 0.2886751 0.1037316), wk = 0.0018083 k( 481) = ( 0.5000000 0.2886751 0.0950873), wk = 0.0018083 k( 482) = ( 0.5000000 0.2886751 0.0864430), wk = 0.0018083 k( 483) = ( 0.5000000 0.2886751 0.0777987), wk = 0.0018083 k( 484) = ( 0.5000000 0.2886751 0.0691544), wk = 0.0018083 k( 485) = ( 0.5000000 0.2886751 0.0605101), wk = 0.0018083 k( 486) = ( 0.5000000 0.2886751 0.0518658), wk = 0.0018083 k( 487) = ( 0.5000000 0.2886751 0.0432215), wk = 0.0018083 k( 488) = ( 0.5000000 0.2886751 0.0345772), wk = 0.0018083 k( 489) = ( 0.5000000 0.2886751 0.0259329), wk = 0.0018083 k( 490) = ( 0.5000000 0.2886751 0.0172886), wk = 0.0018083 k( 491) = ( 0.5000000 0.2886751 0.0086443), wk = 0.0018083 k( 492) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0018083 k( 493) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0018083 k( 494) = ( 0.3333333 0.5773503 0.0086443), wk = 0.0018083 k( 495) = ( 0.3333333 0.5773503 0.0172886), wk = 0.0018083 k( 496) = ( 0.3333333 0.5773503 0.0259329), wk = 0.0018083 k( 497) = ( 0.3333333 0.5773503 0.0345772), wk = 0.0018083 k( 498) = ( 0.3333333 0.5773503 0.0432215), wk = 0.0018083 k( 499) = ( 0.3333333 0.5773503 0.0518658), wk = 0.0018083 k( 500) = ( 0.3333333 0.5773503 0.0605101), wk = 0.0018083 k( 501) = ( 0.3333333 0.5773503 0.0691544), wk = 0.0018083 k( 502) = ( 0.3333333 0.5773503 0.0777987), wk = 0.0018083 k( 503) = ( 0.3333333 0.5773503 0.0864430), wk = 0.0018083 k( 504) = ( 0.3333333 0.5773503 0.0950873), wk = 0.0018083 k( 505) = ( 0.3333333 0.5773503 0.1037316), wk = 0.0018083 k( 506) = ( 0.3333333 0.5773503 0.1123759), wk = 0.0018083 k( 507) = ( 0.3333333 0.5773503 0.1210202), wk = 0.0018083 k( 508) = ( 0.3333333 0.5773503 0.1296645), wk = 0.0018083 k( 509) = ( 0.3333333 0.5773503 0.1383088), wk = 0.0018083 k( 510) = ( 0.3333333 0.5773503 0.1469531), wk = 0.0018083 k( 511) = ( 0.3333333 0.5773503 0.1555974), wk = 0.0018083 k( 512) = ( 0.3333333 0.5773503 0.1642417), wk = 0.0018083 k( 513) = ( 0.3333333 0.5773503 0.1728860), wk = 0.0018083 k( 514) = ( 0.3333333 0.5773503 0.1815303), wk = 0.0018083 k( 515) = ( 0.3333333 0.5773503 0.1901746), wk = 0.0018083 k( 516) = ( 0.3333333 0.5773503 0.1988190), wk = 0.0018083 k( 517) = ( 0.3333333 0.5773503 0.2074632), wk = 0.0018083 k( 518) = ( 0.3333333 0.5773503 0.2161075), wk = 0.0018083 k( 519) = ( 0.3333333 0.5773503 0.2247519), wk = 0.0018083 k( 520) = ( 0.3333333 0.5773503 0.2333962), wk = 0.0018083 k( 521) = ( 0.3333333 0.5773503 0.2420405), wk = 0.0018083 k( 522) = ( 0.3333333 0.5773503 0.2506848), wk = 0.0018083 k( 523) = ( 0.3333333 0.5773503 0.2593291), wk = 0.0018083 k( 524) = ( 0.3333333 0.5773503 0.2679734), wk = 0.0018083 k( 525) = ( 0.3333333 0.5773503 0.2766177), wk = 0.0018083 k( 526) = ( 0.3333333 0.5773503 0.2852620), wk = 0.0018083 k( 527) = ( 0.3333333 0.5773503 0.2939063), wk = 0.0018083 k( 528) = ( 0.3333333 0.5773503 0.3025506), wk = 0.0018083 k( 529) = ( 0.3333333 0.5773503 0.3111949), wk = 0.0018083 k( 530) = ( 0.3333333 0.5773503 0.3198392), wk = 0.0018083 k( 531) = ( 0.3333333 0.5773503 0.3284835), wk = 0.0018083 k( 532) = ( 0.3333333 0.5773503 0.3371278), wk = 0.0018083 k( 533) = ( 0.3333333 0.5773503 0.3457721), wk = 0.0018083 k( 534) = ( 0.3333333 0.5773503 0.3544164), wk = 0.0018083 k( 535) = ( 0.3333333 0.5773503 0.3630607), wk = 0.0018083 k( 536) = ( 0.3333333 0.5773503 0.3717050), wk = 0.0018083 k( 537) = ( 0.3333333 0.5773503 0.3803493), wk = 0.0018083 k( 538) = ( 0.3333333 0.5773503 0.3889936), wk = 0.0018083 k( 539) = ( 0.3333333 0.5773503 0.3976379), wk = 0.0018083 k( 540) = ( 0.3333333 0.5773503 0.4062822), wk = 0.0018083 k( 541) = ( 0.3333333 0.5773503 0.4149265), wk = 0.0018083 k( 542) = ( 0.3333333 0.5773503 0.4235708), wk = 0.0018083 k( 543) = ( 0.3333333 0.5773503 0.4322151), wk = 0.0018083 k( 544) = ( 0.3333333 0.5773503 0.4408594), wk = 0.0018083 k( 545) = ( 0.3333333 0.5773503 0.4495037), wk = 0.0018083 k( 546) = ( 0.3333333 0.5773503 0.4581480), wk = 0.0018083 k( 547) = ( 0.3333333 0.5773503 0.4667923), wk = 0.0018083 k( 548) = ( 0.3333333 0.5773503 0.4754366), wk = 0.0018083 k( 549) = ( 0.3333333 0.5773503 0.4840809), wk = 0.0018083 k( 550) = ( 0.3333333 0.5773503 0.4927252), wk = 0.0018083 k( 551) = ( 0.3333333 0.5773503 0.5013695), wk = 0.0018083 k( 552) = ( 0.3333333 0.5773503 0.5100138), wk = 0.0018083 k( 553) = ( 0.3333333 0.5773503 0.5186581), wk = 0.0018083 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018083 k( 2) = ( 0.0075758 0.0000000 0.0000000), wk = 0.0018083 k( 3) = ( 0.0151515 0.0000000 0.0000000), wk = 0.0018083 k( 4) = ( 0.0227273 0.0000000 0.0000000), wk = 0.0018083 k( 5) = ( 0.0303030 -0.0000000 0.0000000), wk = 0.0018083 k( 6) = ( 0.0378788 0.0000000 0.0000000), wk = 0.0018083 k( 7) = ( 0.0454546 0.0000000 0.0000000), wk = 0.0018083 k( 8) = ( 0.0530303 0.0000000 0.0000000), wk = 0.0018083 k( 9) = ( 0.0606061 -0.0000000 0.0000000), wk = 0.0018083 k( 10) = ( 0.0681818 0.0000000 0.0000000), wk = 0.0018083 k( 11) = ( 0.0757576 0.0000000 0.0000000), wk = 0.0018083 k( 12) = ( 0.0833333 0.0000000 0.0000000), wk = 0.0018083 k( 13) = ( 0.0909091 0.0000000 0.0000000), wk = 0.0018083 k( 14) = ( 0.0984848 0.0000000 0.0000000), wk = 0.0018083 k( 15) = ( 0.1060606 0.0000000 0.0000000), wk = 0.0018083 k( 16) = ( 0.1136364 0.0000000 0.0000000), wk = 0.0018083 k( 17) = ( 0.1212121 -0.0000000 0.0000000), wk = 0.0018083 k( 18) = ( 0.1287879 0.0000000 0.0000000), wk = 0.0018083 k( 19) = ( 0.1363636 0.0000000 0.0000000), wk = 0.0018083 k( 20) = ( 0.1439394 0.0000000 0.0000000), wk = 0.0018083 k( 21) = ( 0.1515151 0.0000000 -0.0000000), wk = 0.0018083 k( 22) = ( 0.1590909 0.0000000 0.0000000), wk = 0.0018083 k( 23) = ( 0.1666667 0.0000000 0.0000000), wk = 0.0018083 k( 24) = ( 0.1742424 0.0000000 0.0000000), wk = 0.0018083 k( 25) = ( 0.1818182 0.0000000 0.0000000), wk = 0.0018083 k( 26) = ( 0.1893939 0.0000000 0.0000000), wk = 0.0018083 k( 27) = ( 0.1969697 0.0000000 0.0000000), wk = 0.0018083 k( 28) = ( 0.2045454 0.0000000 0.0000000), wk = 0.0018083 k( 29) = ( 0.2121212 0.0000000 0.0000000), wk = 0.0018083 k( 30) = ( 0.2196970 0.0000000 0.0000000), wk = 0.0018083 k( 31) = ( 0.2272727 0.0000000 0.0000000), wk = 0.0018083 k( 32) = ( 0.2348485 -0.0000000 0.0000000), wk = 0.0018083 k( 33) = ( 0.2424242 -0.0000000 0.0000000), wk = 0.0018083 k( 34) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0018083 k( 35) = ( 0.2575758 0.0000000 0.0000000), wk = 0.0018083 k( 36) = ( 0.2651515 0.0000000 0.0000000), wk = 0.0018083 k( 37) = ( 0.2727273 0.0000000 0.0000000), wk = 0.0018083 k( 38) = ( 0.2803030 0.0000000 -0.0000000), wk = 0.0018083 k( 39) = ( 0.2878788 0.0000000 0.0000000), wk = 0.0018083 k( 40) = ( 0.2954545 0.0000000 0.0000000), wk = 0.0018083 k( 41) = ( 0.3030303 0.0000000 -0.0000000), wk = 0.0018083 k( 42) = ( 0.3106061 0.0000000 0.0000000), wk = 0.0018083 k( 43) = ( 0.3181818 0.0000000 0.0000000), wk = 0.0018083 k( 44) = ( 0.3257576 -0.0000000 0.0000000), wk = 0.0018083 k( 45) = ( 0.3333333 -0.0000000 0.0000000), wk = 0.0018083 k( 46) = ( 0.3409091 0.0000000 0.0000000), wk = 0.0018083 k( 47) = ( 0.3484849 0.0000000 0.0000000), wk = 0.0018083 k( 48) = ( 0.3560606 0.0000000 0.0000000), wk = 0.0018083 k( 49) = ( 0.3636364 0.0000000 0.0000000), wk = 0.0018083 k( 50) = ( 0.3712121 0.0000000 0.0000000), wk = 0.0018083 k( 51) = ( 0.3787879 0.0000000 0.0000000), wk = 0.0018083 k( 52) = ( 0.3863636 0.0000000 0.0000000), wk = 0.0018083 k( 53) = ( 0.3939394 0.0000000 0.0000000), wk = 0.0018083 k( 54) = ( 0.4015151 0.0000000 0.0000000), wk = 0.0018083 k( 55) = ( 0.4090909 0.0000000 0.0000000), wk = 0.0018083 k( 56) = ( 0.4166667 0.0000000 0.0000000), wk = 0.0018083 k( 57) = ( 0.4242424 0.0000000 0.0000000), wk = 0.0018083 k( 58) = ( 0.4318182 0.0000000 0.0000000), wk = 0.0018083 k( 59) = ( 0.4393939 0.0000000 0.0000000), wk = 0.0018083 k( 60) = ( 0.4469697 -0.0000000 0.0000000), wk = 0.0018083 k( 61) = ( 0.4545455 0.0000000 0.0000000), wk = 0.0018083 k( 62) = ( 0.4621212 0.0000000 0.0000000), wk = 0.0018083 k( 63) = ( 0.4696970 -0.0000000 0.0000000), wk = 0.0018083 k( 64) = ( 0.4772727 0.0000000 0.0000000), wk = 0.0018083 k( 65) = ( 0.4848485 -0.0000000 0.0000000), wk = 0.0018083 k( 66) = ( 0.4924242 0.0000000 0.0000000), wk = 0.0018083 k( 67) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0018083 k( 68) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0018083 k( 69) = ( 0.4957265 0.0085470 0.0000000), wk = 0.0018083 k( 70) = ( 0.4914530 0.0170940 0.0000000), wk = 0.0018083 k( 71) = ( 0.4871795 0.0256410 0.0000000), wk = 0.0018083 k( 72) = ( 0.4829060 0.0341880 0.0000000), wk = 0.0018083 k( 73) = ( 0.4786325 0.0427350 0.0000000), wk = 0.0018083 k( 74) = ( 0.4743590 0.0512820 0.0000000), wk = 0.0018083 k( 75) = ( 0.4700855 0.0598291 0.0000000), wk = 0.0018083 k( 76) = ( 0.4658120 0.0683761 0.0000000), wk = 0.0018083 k( 77) = ( 0.4615385 0.0769231 0.0000000), wk = 0.0018083 k( 78) = ( 0.4572650 0.0854701 0.0000000), wk = 0.0018083 k( 79) = ( 0.4529915 0.0940171 0.0000000), wk = 0.0018083 k( 80) = ( 0.4487179 0.1025641 0.0000000), wk = 0.0018083 k( 81) = ( 0.4444444 0.1111111 0.0000000), wk = 0.0018083 k( 82) = ( 0.4401709 0.1196581 0.0000000), wk = 0.0018083 k( 83) = ( 0.4358974 0.1282051 0.0000000), wk = 0.0018083 k( 84) = ( 0.4316239 0.1367521 0.0000000), wk = 0.0018083 k( 85) = ( 0.4273504 0.1452991 0.0000000), wk = 0.0018083 k( 86) = ( 0.4230769 0.1538462 0.0000000), wk = 0.0018083 k( 87) = ( 0.4188034 0.1623932 -0.0000000), wk = 0.0018083 k( 88) = ( 0.4145299 0.1709402 0.0000000), wk = 0.0018083 k( 89) = ( 0.4102564 0.1794872 0.0000000), wk = 0.0018083 k( 90) = ( 0.4059829 0.1880342 0.0000000), wk = 0.0018083 k( 91) = ( 0.4017094 0.1965812 0.0000000), wk = 0.0018083 k( 92) = ( 0.3974359 0.2051282 0.0000000), wk = 0.0018083 k( 93) = ( 0.3931624 0.2136752 0.0000000), wk = 0.0018083 k( 94) = ( 0.3888889 0.2222222 0.0000000), wk = 0.0018083 k( 95) = ( 0.3846154 0.2307692 0.0000000), wk = 0.0018083 k( 96) = ( 0.3803419 0.2393162 0.0000000), wk = 0.0018083 k( 97) = ( 0.3760684 0.2478633 0.0000000), wk = 0.0018083 k( 98) = ( 0.3717949 0.2564103 0.0000000), wk = 0.0018083 k( 99) = ( 0.3675214 0.2649573 0.0000000), wk = 0.0018083 k( 100) = ( 0.3632479 0.2735043 0.0000000), wk = 0.0018083 k( 101) = ( 0.3589744 0.2820513 0.0000000), wk = 0.0018083 k( 102) = ( 0.3547009 0.2905983 0.0000000), wk = 0.0018083 k( 103) = ( 0.3504274 0.2991453 0.0000000), wk = 0.0018083 k( 104) = ( 0.3461538 0.3076923 0.0000000), wk = 0.0018083 k( 105) = ( 0.3418803 0.3162393 0.0000000), wk = 0.0018083 k( 106) = ( 0.3376068 0.3247863 0.0000000), wk = 0.0018083 k( 107) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0018083 k( 108) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0018083 k( 109) = ( 0.3290043 0.3290043 0.0000000), wk = 0.0018083 k( 110) = ( 0.3246753 0.3246753 0.0000000), wk = 0.0018083 k( 111) = ( 0.3203463 0.3203463 0.0000000), wk = 0.0018083 k( 112) = ( 0.3160173 0.3160173 0.0000000), wk = 0.0018083 k( 113) = ( 0.3116883 0.3116883 0.0000000), wk = 0.0018083 k( 114) = ( 0.3073593 0.3073593 0.0000000), wk = 0.0018083 k( 115) = ( 0.3030303 0.3030303 0.0000000), wk = 0.0018083 k( 116) = ( 0.2987013 0.2987013 0.0000000), wk = 0.0018083 k( 117) = ( 0.2943723 0.2943723 0.0000000), wk = 0.0018083 k( 118) = ( 0.2900433 0.2900433 0.0000000), wk = 0.0018083 k( 119) = ( 0.2857143 0.2857143 0.0000000), wk = 0.0018083 k( 120) = ( 0.2813853 0.2813853 0.0000000), wk = 0.0018083 k( 121) = ( 0.2770563 0.2770563 0.0000000), wk = 0.0018083 k( 122) = ( 0.2727273 0.2727273 0.0000000), wk = 0.0018083 k( 123) = ( 0.2683983 0.2683983 0.0000000), wk = 0.0018083 k( 124) = ( 0.2640693 0.2640693 0.0000000), wk = 0.0018083 k( 125) = ( 0.2597403 0.2597403 0.0000000), wk = 0.0018083 k( 126) = ( 0.2554113 0.2554113 0.0000000), wk = 0.0018083 k( 127) = ( 0.2510823 0.2510823 0.0000000), wk = 0.0018083 k( 128) = ( 0.2467533 0.2467532 0.0000000), wk = 0.0018083 k( 129) = ( 0.2424242 0.2424242 -0.0000000), wk = 0.0018083 k( 130) = ( 0.2380952 0.2380952 -0.0000000), wk = 0.0018083 k( 131) = ( 0.2337662 0.2337662 0.0000000), wk = 0.0018083 k( 132) = ( 0.2294372 0.2294372 0.0000000), wk = 0.0018083 k( 133) = ( 0.2251082 0.2251082 0.0000000), wk = 0.0018083 k( 134) = ( 0.2207792 0.2207792 0.0000000), wk = 0.0018083 k( 135) = ( 0.2164502 0.2164502 0.0000000), wk = 0.0018083 k( 136) = ( 0.2121212 0.2121212 -0.0000000), wk = 0.0018083 k( 137) = ( 0.2077922 0.2077922 0.0000000), wk = 0.0018083 k( 138) = ( 0.2034632 0.2034632 0.0000000), wk = 0.0018083 k( 139) = ( 0.1991342 0.1991342 0.0000000), wk = 0.0018083 k( 140) = ( 0.1948052 0.1948052 -0.0000000), wk = 0.0018083 k( 141) = ( 0.1904762 0.1904762 0.0000000), wk = 0.0018083 k( 142) = ( 0.1861472 0.1861472 0.0000000), wk = 0.0018083 k( 143) = ( 0.1818182 0.1818182 0.0000000), wk = 0.0018083 k( 144) = ( 0.1774892 0.1774892 0.0000000), wk = 0.0018083 k( 145) = ( 0.1731602 0.1731602 0.0000000), wk = 0.0018083 k( 146) = ( 0.1688312 0.1688312 0.0000000), wk = 0.0018083 k( 147) = ( 0.1645022 0.1645022 0.0000000), wk = 0.0018083 k( 148) = ( 0.1601732 0.1601732 0.0000000), wk = 0.0018083 k( 149) = ( 0.1558442 0.1558442 0.0000000), wk = 0.0018083 k( 150) = ( 0.1515151 0.1515152 0.0000000), wk = 0.0018083 k( 151) = ( 0.1471861 0.1471862 0.0000000), wk = 0.0018083 k( 152) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0018083 k( 153) = ( 0.1385281 0.1385281 0.0000000), wk = 0.0018083 k( 154) = ( 0.1341991 0.1341991 0.0000000), wk = 0.0018083 k( 155) = ( 0.1298701 0.1298701 0.0000000), wk = 0.0018083 k( 156) = ( 0.1255411 0.1255411 0.0000000), wk = 0.0018083 k( 157) = ( 0.1212121 0.1212121 -0.0000000), wk = 0.0018083 k( 158) = ( 0.1168831 0.1168831 0.0000000), wk = 0.0018083 k( 159) = ( 0.1125541 0.1125541 0.0000000), wk = 0.0018083 k( 160) = ( 0.1082251 0.1082251 0.0000000), wk = 0.0018083 k( 161) = ( 0.1038961 0.1038961 0.0000000), wk = 0.0018083 k( 162) = ( 0.0995671 0.0995671 0.0000000), wk = 0.0018083 k( 163) = ( 0.0952381 0.0952381 0.0000000), wk = 0.0018083 k( 164) = ( 0.0909091 0.0909091 0.0000000), wk = 0.0018083 k( 165) = ( 0.0865801 0.0865801 0.0000000), wk = 0.0018083 k( 166) = ( 0.0822511 0.0822511 0.0000000), wk = 0.0018083 k( 167) = ( 0.0779221 0.0779221 0.0000000), wk = 0.0018083 k( 168) = ( 0.0735931 0.0735931 0.0000000), wk = 0.0018083 k( 169) = ( 0.0692641 0.0692641 0.0000000), wk = 0.0018083 k( 170) = ( 0.0649351 0.0649351 0.0000000), wk = 0.0018083 k( 171) = ( 0.0606061 0.0606061 -0.0000000), wk = 0.0018083 k( 172) = ( 0.0562771 0.0562771 0.0000000), wk = 0.0018083 k( 173) = ( 0.0519481 0.0519481 0.0000000), wk = 0.0018083 k( 174) = ( 0.0476191 0.0476191 0.0000000), wk = 0.0018083 k( 175) = ( 0.0432900 0.0432900 0.0000000), wk = 0.0018083 k( 176) = ( 0.0389610 0.0389610 0.0000000), wk = 0.0018083 k( 177) = ( 0.0346320 0.0346320 0.0000000), wk = 0.0018083 k( 178) = ( 0.0303030 0.0303030 -0.0000000), wk = 0.0018083 k( 179) = ( 0.0259740 0.0259740 -0.0000000), wk = 0.0018083 k( 180) = ( 0.0216450 0.0216450 0.0000000), wk = 0.0018083 k( 181) = ( 0.0173160 0.0173160 0.0000000), wk = 0.0018083 k( 182) = ( 0.0129870 0.0129870 0.0000000), wk = 0.0018083 k( 183) = ( 0.0086580 0.0086580 0.0000000), wk = 0.0018083 k( 184) = ( 0.0043290 0.0043290 0.0000000), wk = 0.0018083 k( 185) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018083 k( 186) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018083 k( 187) = ( 0.0000000 0.0000000 0.0083333), wk = 0.0018083 k( 188) = ( 0.0000000 0.0000000 0.0166667), wk = 0.0018083 k( 189) = ( 0.0000000 0.0000000 0.0250000), wk = 0.0018083 k( 190) = ( 0.0000000 0.0000000 0.0333333), wk = 0.0018083 k( 191) = ( 0.0000000 0.0000000 0.0416667), wk = 0.0018083 k( 192) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0018083 k( 193) = ( 0.0000000 0.0000000 0.0583333), wk = 0.0018083 k( 194) = ( 0.0000000 0.0000000 0.0666667), wk = 0.0018083 k( 195) = ( 0.0000000 0.0000000 0.0750000), wk = 0.0018083 k( 196) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0018083 k( 197) = ( 0.0000000 0.0000000 0.0916667), wk = 0.0018083 k( 198) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0018083 k( 199) = ( 0.0000000 0.0000000 0.1083333), wk = 0.0018083 k( 200) = ( 0.0000000 0.0000000 0.1166667), wk = 0.0018083 k( 201) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0018083 k( 202) = ( 0.0000000 0.0000000 0.1333333), wk = 0.0018083 k( 203) = ( 0.0000000 0.0000000 0.1416667), wk = 0.0018083 k( 204) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0018083 k( 205) = ( 0.0000000 0.0000000 0.1583333), wk = 0.0018083 k( 206) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0018083 k( 207) = ( 0.0000000 0.0000000 0.1750000), wk = 0.0018083 k( 208) = ( 0.0000000 0.0000000 0.1833333), wk = 0.0018083 k( 209) = ( 0.0000000 0.0000000 0.1916667), wk = 0.0018083 k( 210) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0018083 k( 211) = ( 0.0000000 0.0000000 0.2083333), wk = 0.0018083 k( 212) = ( 0.0000000 0.0000000 0.2166667), wk = 0.0018083 k( 213) = ( 0.0000000 0.0000000 0.2250000), wk = 0.0018083 k( 214) = ( 0.0000000 0.0000000 0.2333333), wk = 0.0018083 k( 215) = ( 0.0000000 0.0000000 0.2416667), wk = 0.0018083 k( 216) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0018083 k( 217) = ( 0.0000000 0.0000000 0.2583333), wk = 0.0018083 k( 218) = ( 0.0000000 0.0000000 0.2666667), wk = 0.0018083 k( 219) = ( 0.0000000 0.0000000 0.2750000), wk = 0.0018083 k( 220) = ( 0.0000000 0.0000000 0.2833333), wk = 0.0018083 k( 221) = ( 0.0000000 0.0000000 0.2916667), wk = 0.0018083 k( 222) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0018083 k( 223) = ( 0.0000000 0.0000000 0.3083333), wk = 0.0018083 k( 224) = ( 0.0000000 0.0000000 0.3166667), wk = 0.0018083 k( 225) = ( 0.0000000 0.0000000 0.3250000), wk = 0.0018083 k( 226) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0018083 k( 227) = ( 0.0000000 0.0000000 0.3416667), wk = 0.0018083 k( 228) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0018083 k( 229) = ( 0.0000000 0.0000000 0.3583333), wk = 0.0018083 k( 230) = ( 0.0000000 0.0000000 0.3666667), wk = 0.0018083 k( 231) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0018083 k( 232) = ( 0.0000000 0.0000000 0.3833333), wk = 0.0018083 k( 233) = ( 0.0000000 0.0000000 0.3916667), wk = 0.0018083 k( 234) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0018083 k( 235) = ( 0.0000000 0.0000000 0.4083333), wk = 0.0018083 k( 236) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0018083 k( 237) = ( 0.0000000 0.0000000 0.4250000), wk = 0.0018083 k( 238) = ( 0.0000000 0.0000000 0.4333333), wk = 0.0018083 k( 239) = ( 0.0000000 0.0000000 0.4416667), wk = 0.0018083 k( 240) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0018083 k( 241) = ( 0.0000000 0.0000000 0.4583333), wk = 0.0018083 k( 242) = ( 0.0000000 0.0000000 0.4666667), wk = 0.0018083 k( 243) = ( 0.0000000 0.0000000 0.4750000), wk = 0.0018083 k( 244) = ( 0.0000000 0.0000000 0.4833333), wk = 0.0018083 k( 245) = ( 0.0000000 0.0000000 0.4916667), wk = 0.0018083 k( 246) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0018083 k( 247) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0018083 k( 248) = ( 0.0075758 0.0000000 0.5000000), wk = 0.0018083 k( 249) = ( 0.0151515 0.0000000 0.5000000), wk = 0.0018083 k( 250) = ( 0.0227273 0.0000000 0.5000000), wk = 0.0018083 k( 251) = ( 0.0303030 -0.0000000 0.5000000), wk = 0.0018083 k( 252) = ( 0.0378788 0.0000000 0.5000000), wk = 0.0018083 k( 253) = ( 0.0454546 0.0000000 0.5000000), wk = 0.0018083 k( 254) = ( 0.0530303 0.0000000 0.5000000), wk = 0.0018083 k( 255) = ( 0.0606061 -0.0000000 0.5000000), wk = 0.0018083 k( 256) = ( 0.0681818 0.0000000 0.5000000), wk = 0.0018083 k( 257) = ( 0.0757576 0.0000000 0.5000000), wk = 0.0018083 k( 258) = ( 0.0833333 0.0000000 0.5000000), wk = 0.0018083 k( 259) = ( 0.0909091 0.0000000 0.5000000), wk = 0.0018083 k( 260) = ( 0.0984848 0.0000000 0.5000000), wk = 0.0018083 k( 261) = ( 0.1060606 0.0000000 0.5000000), wk = 0.0018083 k( 262) = ( 0.1136364 0.0000000 0.5000000), wk = 0.0018083 k( 263) = ( 0.1212121 -0.0000000 0.5000000), wk = 0.0018083 k( 264) = ( 0.1287879 0.0000000 0.5000000), wk = 0.0018083 k( 265) = ( 0.1363636 0.0000000 0.5000000), wk = 0.0018083 k( 266) = ( 0.1439394 0.0000000 0.5000000), wk = 0.0018083 k( 267) = ( 0.1515151 0.0000000 0.5000000), wk = 0.0018083 k( 268) = ( 0.1590909 0.0000000 0.5000000), wk = 0.0018083 k( 269) = ( 0.1666667 0.0000000 0.5000000), wk = 0.0018083 k( 270) = ( 0.1742424 0.0000000 0.5000000), wk = 0.0018083 k( 271) = ( 0.1818182 0.0000000 0.5000000), wk = 0.0018083 k( 272) = ( 0.1893939 0.0000000 0.5000000), wk = 0.0018083 k( 273) = ( 0.1969697 0.0000000 0.5000000), wk = 0.0018083 k( 274) = ( 0.2045454 0.0000000 0.5000000), wk = 0.0018083 k( 275) = ( 0.2121212 0.0000000 0.5000000), wk = 0.0018083 k( 276) = ( 0.2196970 0.0000000 0.5000000), wk = 0.0018083 k( 277) = ( 0.2272727 0.0000000 0.5000000), wk = 0.0018083 k( 278) = ( 0.2348485 -0.0000000 0.5000000), wk = 0.0018083 k( 279) = ( 0.2424242 -0.0000000 0.5000000), wk = 0.0018083 k( 280) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0018083 k( 281) = ( 0.2575758 0.0000000 0.5000000), wk = 0.0018083 k( 282) = ( 0.2651515 0.0000000 0.5000000), wk = 0.0018083 k( 283) = ( 0.2727273 0.0000000 0.5000000), wk = 0.0018083 k( 284) = ( 0.2803030 0.0000000 0.5000000), wk = 0.0018083 k( 285) = ( 0.2878788 0.0000000 0.5000000), wk = 0.0018083 k( 286) = ( 0.2954545 0.0000000 0.5000000), wk = 0.0018083 k( 287) = ( 0.3030303 0.0000000 0.5000000), wk = 0.0018083 k( 288) = ( 0.3106061 0.0000000 0.5000000), wk = 0.0018083 k( 289) = ( 0.3181818 0.0000000 0.5000000), wk = 0.0018083 k( 290) = ( 0.3257576 -0.0000000 0.5000000), wk = 0.0018083 k( 291) = ( 0.3333333 -0.0000000 0.5000000), wk = 0.0018083 k( 292) = ( 0.3409091 0.0000000 0.5000000), wk = 0.0018083 k( 293) = ( 0.3484849 0.0000000 0.5000000), wk = 0.0018083 k( 294) = ( 0.3560606 0.0000000 0.5000000), wk = 0.0018083 k( 295) = ( 0.3636364 0.0000000 0.5000000), wk = 0.0018083 k( 296) = ( 0.3712121 0.0000000 0.5000000), wk = 0.0018083 k( 297) = ( 0.3787879 0.0000000 0.5000000), wk = 0.0018083 k( 298) = ( 0.3863636 0.0000000 0.5000000), wk = 0.0018083 k( 299) = ( 0.3939394 0.0000000 0.5000000), wk = 0.0018083 k( 300) = ( 0.4015151 0.0000000 0.5000000), wk = 0.0018083 k( 301) = ( 0.4090909 0.0000000 0.5000000), wk = 0.0018083 k( 302) = ( 0.4166667 0.0000000 0.5000000), wk = 0.0018083 k( 303) = ( 0.4242424 0.0000000 0.5000000), wk = 0.0018083 k( 304) = ( 0.4318182 0.0000000 0.5000000), wk = 0.0018083 k( 305) = ( 0.4393939 0.0000000 0.5000000), wk = 0.0018083 k( 306) = ( 0.4469697 -0.0000000 0.5000000), wk = 0.0018083 k( 307) = ( 0.4545455 0.0000000 0.5000000), wk = 0.0018083 k( 308) = ( 0.4621212 0.0000000 0.5000000), wk = 0.0018083 k( 309) = ( 0.4696970 -0.0000000 0.5000000), wk = 0.0018083 k( 310) = ( 0.4772727 0.0000000 0.5000000), wk = 0.0018083 k( 311) = ( 0.4848485 -0.0000000 0.5000000), wk = 0.0018083 k( 312) = ( 0.4924242 0.0000000 0.5000000), wk = 0.0018083 k( 313) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0018083 k( 314) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0018083 k( 315) = ( 0.4957265 0.0085470 0.5000000), wk = 0.0018083 k( 316) = ( 0.4914530 0.0170940 0.5000000), wk = 0.0018083 k( 317) = ( 0.4871795 0.0256410 0.5000000), wk = 0.0018083 k( 318) = ( 0.4829060 0.0341880 0.5000000), wk = 0.0018083 k( 319) = ( 0.4786325 0.0427350 0.5000000), wk = 0.0018083 k( 320) = ( 0.4743590 0.0512820 0.5000000), wk = 0.0018083 k( 321) = ( 0.4700855 0.0598291 0.5000000), wk = 0.0018083 k( 322) = ( 0.4658120 0.0683761 0.5000000), wk = 0.0018083 k( 323) = ( 0.4615385 0.0769231 0.5000000), wk = 0.0018083 k( 324) = ( 0.4572650 0.0854701 0.5000000), wk = 0.0018083 k( 325) = ( 0.4529915 0.0940171 0.5000000), wk = 0.0018083 k( 326) = ( 0.4487179 0.1025641 0.5000000), wk = 0.0018083 k( 327) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0018083 k( 328) = ( 0.4401709 0.1196581 0.5000000), wk = 0.0018083 k( 329) = ( 0.4358974 0.1282051 0.5000000), wk = 0.0018083 k( 330) = ( 0.4316239 0.1367521 0.5000000), wk = 0.0018083 k( 331) = ( 0.4273504 0.1452991 0.5000000), wk = 0.0018083 k( 332) = ( 0.4230769 0.1538462 0.5000000), wk = 0.0018083 k( 333) = ( 0.4188034 0.1623932 0.5000000), wk = 0.0018083 k( 334) = ( 0.4145299 0.1709402 0.5000000), wk = 0.0018083 k( 335) = ( 0.4102564 0.1794872 0.5000000), wk = 0.0018083 k( 336) = ( 0.4059829 0.1880342 0.5000000), wk = 0.0018083 k( 337) = ( 0.4017094 0.1965812 0.5000000), wk = 0.0018083 k( 338) = ( 0.3974359 0.2051282 0.5000000), wk = 0.0018083 k( 339) = ( 0.3931624 0.2136752 0.5000000), wk = 0.0018083 k( 340) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0018083 k( 341) = ( 0.3846154 0.2307692 0.5000000), wk = 0.0018083 k( 342) = ( 0.3803419 0.2393162 0.5000000), wk = 0.0018083 k( 343) = ( 0.3760684 0.2478633 0.5000000), wk = 0.0018083 k( 344) = ( 0.3717949 0.2564103 0.5000000), wk = 0.0018083 k( 345) = ( 0.3675214 0.2649573 0.5000000), wk = 0.0018083 k( 346) = ( 0.3632479 0.2735043 0.5000000), wk = 0.0018083 k( 347) = ( 0.3589744 0.2820513 0.5000000), wk = 0.0018083 k( 348) = ( 0.3547009 0.2905983 0.5000000), wk = 0.0018083 k( 349) = ( 0.3504274 0.2991453 0.5000000), wk = 0.0018083 k( 350) = ( 0.3461538 0.3076923 0.5000000), wk = 0.0018083 k( 351) = ( 0.3418803 0.3162393 0.5000000), wk = 0.0018083 k( 352) = ( 0.3376068 0.3247863 0.5000000), wk = 0.0018083 k( 353) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0018083 k( 354) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0018083 k( 355) = ( 0.3290043 0.3290043 0.5000000), wk = 0.0018083 k( 356) = ( 0.3246753 0.3246753 0.5000000), wk = 0.0018083 k( 357) = ( 0.3203463 0.3203463 0.5000000), wk = 0.0018083 k( 358) = ( 0.3160173 0.3160173 0.5000000), wk = 0.0018083 k( 359) = ( 0.3116883 0.3116883 0.5000000), wk = 0.0018083 k( 360) = ( 0.3073593 0.3073593 0.5000000), wk = 0.0018083 k( 361) = ( 0.3030303 0.3030303 0.5000000), wk = 0.0018083 k( 362) = ( 0.2987013 0.2987013 0.5000000), wk = 0.0018083 k( 363) = ( 0.2943723 0.2943723 0.5000000), wk = 0.0018083 k( 364) = ( 0.2900433 0.2900433 0.5000000), wk = 0.0018083 k( 365) = ( 0.2857143 0.2857143 0.5000000), wk = 0.0018083 k( 366) = ( 0.2813853 0.2813853 0.5000000), wk = 0.0018083 k( 367) = ( 0.2770563 0.2770563 0.5000000), wk = 0.0018083 k( 368) = ( 0.2727273 0.2727273 0.5000000), wk = 0.0018083 k( 369) = ( 0.2683983 0.2683983 0.5000000), wk = 0.0018083 k( 370) = ( 0.2640693 0.2640693 0.5000000), wk = 0.0018083 k( 371) = ( 0.2597403 0.2597403 0.5000000), wk = 0.0018083 k( 372) = ( 0.2554113 0.2554113 0.5000000), wk = 0.0018083 k( 373) = ( 0.2510823 0.2510823 0.5000000), wk = 0.0018083 k( 374) = ( 0.2467533 0.2467532 0.5000000), wk = 0.0018083 k( 375) = ( 0.2424242 0.2424242 0.5000000), wk = 0.0018083 k( 376) = ( 0.2380952 0.2380952 0.5000000), wk = 0.0018083 k( 377) = ( 0.2337662 0.2337662 0.5000000), wk = 0.0018083 k( 378) = ( 0.2294372 0.2294372 0.5000000), wk = 0.0018083 k( 379) = ( 0.2251082 0.2251082 0.5000000), wk = 0.0018083 k( 380) = ( 0.2207792 0.2207792 0.5000000), wk = 0.0018083 k( 381) = ( 0.2164502 0.2164502 0.5000000), wk = 0.0018083 k( 382) = ( 0.2121212 0.2121212 0.5000000), wk = 0.0018083 k( 383) = ( 0.2077922 0.2077922 0.5000000), wk = 0.0018083 k( 384) = ( 0.2034632 0.2034632 0.5000000), wk = 0.0018083 k( 385) = ( 0.1991342 0.1991342 0.5000000), wk = 0.0018083 k( 386) = ( 0.1948052 0.1948052 0.5000000), wk = 0.0018083 k( 387) = ( 0.1904762 0.1904762 0.5000000), wk = 0.0018083 k( 388) = ( 0.1861472 0.1861472 0.5000000), wk = 0.0018083 k( 389) = ( 0.1818182 0.1818182 0.5000000), wk = 0.0018083 k( 390) = ( 0.1774892 0.1774892 0.5000000), wk = 0.0018083 k( 391) = ( 0.1731602 0.1731602 0.5000000), wk = 0.0018083 k( 392) = ( 0.1688312 0.1688312 0.5000000), wk = 0.0018083 k( 393) = ( 0.1645022 0.1645022 0.5000000), wk = 0.0018083 k( 394) = ( 0.1601732 0.1601732 0.5000000), wk = 0.0018083 k( 395) = ( 0.1558442 0.1558442 0.5000000), wk = 0.0018083 k( 396) = ( 0.1515151 0.1515152 0.5000000), wk = 0.0018083 k( 397) = ( 0.1471861 0.1471862 0.5000000), wk = 0.0018083 k( 398) = ( 0.1428571 0.1428571 0.5000000), wk = 0.0018083 k( 399) = ( 0.1385281 0.1385281 0.5000000), wk = 0.0018083 k( 400) = ( 0.1341991 0.1341991 0.5000000), wk = 0.0018083 k( 401) = ( 0.1298701 0.1298701 0.5000000), wk = 0.0018083 k( 402) = ( 0.1255411 0.1255411 0.5000000), wk = 0.0018083 k( 403) = ( 0.1212121 0.1212121 0.5000000), wk = 0.0018083 k( 404) = ( 0.1168831 0.1168831 0.5000000), wk = 0.0018083 k( 405) = ( 0.1125541 0.1125541 0.5000000), wk = 0.0018083 k( 406) = ( 0.1082251 0.1082251 0.5000000), wk = 0.0018083 k( 407) = ( 0.1038961 0.1038961 0.5000000), wk = 0.0018083 k( 408) = ( 0.0995671 0.0995671 0.5000000), wk = 0.0018083 k( 409) = ( 0.0952381 0.0952381 0.5000000), wk = 0.0018083 k( 410) = ( 0.0909091 0.0909091 0.5000000), wk = 0.0018083 k( 411) = ( 0.0865801 0.0865801 0.5000000), wk = 0.0018083 k( 412) = ( 0.0822511 0.0822511 0.5000000), wk = 0.0018083 k( 413) = ( 0.0779221 0.0779221 0.5000000), wk = 0.0018083 k( 414) = ( 0.0735931 0.0735931 0.5000000), wk = 0.0018083 k( 415) = ( 0.0692641 0.0692641 0.5000000), wk = 0.0018083 k( 416) = ( 0.0649351 0.0649351 0.5000000), wk = 0.0018083 k( 417) = ( 0.0606061 0.0606061 0.5000000), wk = 0.0018083 k( 418) = ( 0.0562771 0.0562771 0.5000000), wk = 0.0018083 k( 419) = ( 0.0519481 0.0519481 0.5000000), wk = 0.0018083 k( 420) = ( 0.0476191 0.0476191 0.5000000), wk = 0.0018083 k( 421) = ( 0.0432900 0.0432900 0.5000000), wk = 0.0018083 k( 422) = ( 0.0389610 0.0389610 0.5000000), wk = 0.0018083 k( 423) = ( 0.0346320 0.0346320 0.5000000), wk = 0.0018083 k( 424) = ( 0.0303030 0.0303030 0.5000000), wk = 0.0018083 k( 425) = ( 0.0259740 0.0259740 0.5000000), wk = 0.0018083 k( 426) = ( 0.0216450 0.0216450 0.5000000), wk = 0.0018083 k( 427) = ( 0.0173160 0.0173160 0.5000000), wk = 0.0018083 k( 428) = ( 0.0129870 0.0129870 0.5000000), wk = 0.0018083 k( 429) = ( 0.0086580 0.0086580 0.5000000), wk = 0.0018083 k( 430) = ( 0.0043290 0.0043290 0.5000000), wk = 0.0018083 k( 431) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0018083 k( 432) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0018083 k( 433) = ( 0.5000000 0.0000000 0.4916667), wk = 0.0018083 k( 434) = ( 0.5000000 0.0000000 0.4833333), wk = 0.0018083 k( 435) = ( 0.5000000 0.0000000 0.4750000), wk = 0.0018083 k( 436) = ( 0.5000000 0.0000000 0.4666667), wk = 0.0018083 k( 437) = ( 0.5000000 0.0000000 0.4583333), wk = 0.0018083 k( 438) = ( 0.5000000 0.0000000 0.4500000), wk = 0.0018083 k( 439) = ( 0.5000000 0.0000000 0.4416667), wk = 0.0018083 k( 440) = ( 0.5000000 0.0000000 0.4333333), wk = 0.0018083 k( 441) = ( 0.5000000 0.0000000 0.4250000), wk = 0.0018083 k( 442) = ( 0.5000000 0.0000000 0.4166667), wk = 0.0018083 k( 443) = ( 0.5000000 0.0000000 0.4083333), wk = 0.0018083 k( 444) = ( 0.5000000 0.0000000 0.4000000), wk = 0.0018083 k( 445) = ( 0.5000000 0.0000000 0.3916667), wk = 0.0018083 k( 446) = ( 0.5000000 0.0000000 0.3833333), wk = 0.0018083 k( 447) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0018083 k( 448) = ( 0.5000000 0.0000000 0.3666667), wk = 0.0018083 k( 449) = ( 0.5000000 0.0000000 0.3583333), wk = 0.0018083 k( 450) = ( 0.5000000 0.0000000 0.3500000), wk = 0.0018083 k( 451) = ( 0.5000000 0.0000000 0.3416667), wk = 0.0018083 k( 452) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0018083 k( 453) = ( 0.5000000 0.0000000 0.3250000), wk = 0.0018083 k( 454) = ( 0.5000000 0.0000000 0.3166667), wk = 0.0018083 k( 455) = ( 0.5000000 0.0000000 0.3083333), wk = 0.0018083 k( 456) = ( 0.5000000 0.0000000 0.3000000), wk = 0.0018083 k( 457) = ( 0.5000000 0.0000000 0.2916667), wk = 0.0018083 k( 458) = ( 0.5000000 0.0000000 0.2833333), wk = 0.0018083 k( 459) = ( 0.5000000 0.0000000 0.2750000), wk = 0.0018083 k( 460) = ( 0.5000000 0.0000000 0.2666667), wk = 0.0018083 k( 461) = ( 0.5000000 0.0000000 0.2583333), wk = 0.0018083 k( 462) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0018083 k( 463) = ( 0.5000000 0.0000000 0.2416667), wk = 0.0018083 k( 464) = ( 0.5000000 0.0000000 0.2333333), wk = 0.0018083 k( 465) = ( 0.5000000 0.0000000 0.2250000), wk = 0.0018083 k( 466) = ( 0.5000000 0.0000000 0.2166667), wk = 0.0018083 k( 467) = ( 0.5000000 0.0000000 0.2083333), wk = 0.0018083 k( 468) = ( 0.5000000 0.0000000 0.2000000), wk = 0.0018083 k( 469) = ( 0.5000000 0.0000000 0.1916667), wk = 0.0018083 k( 470) = ( 0.5000000 0.0000000 0.1833333), wk = 0.0018083 k( 471) = ( 0.5000000 0.0000000 0.1750000), wk = 0.0018083 k( 472) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0018083 k( 473) = ( 0.5000000 0.0000000 0.1583333), wk = 0.0018083 k( 474) = ( 0.5000000 0.0000000 0.1500000), wk = 0.0018083 k( 475) = ( 0.5000000 0.0000000 0.1416667), wk = 0.0018083 k( 476) = ( 0.5000000 0.0000000 0.1333333), wk = 0.0018083 k( 477) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0018083 k( 478) = ( 0.5000000 0.0000000 0.1166667), wk = 0.0018083 k( 479) = ( 0.5000000 0.0000000 0.1083333), wk = 0.0018083 k( 480) = ( 0.5000000 0.0000000 0.1000000), wk = 0.0018083 k( 481) = ( 0.5000000 0.0000000 0.0916667), wk = 0.0018083 k( 482) = ( 0.5000000 0.0000000 0.0833333), wk = 0.0018083 k( 483) = ( 0.5000000 0.0000000 0.0750000), wk = 0.0018083 k( 484) = ( 0.5000000 0.0000000 0.0666667), wk = 0.0018083 k( 485) = ( 0.5000000 0.0000000 0.0583333), wk = 0.0018083 k( 486) = ( 0.5000000 0.0000000 0.0500000), wk = 0.0018083 k( 487) = ( 0.5000000 0.0000000 0.0416667), wk = 0.0018083 k( 488) = ( 0.5000000 0.0000000 0.0333333), wk = 0.0018083 k( 489) = ( 0.5000000 0.0000000 0.0250000), wk = 0.0018083 k( 490) = ( 0.5000000 0.0000000 0.0166667), wk = 0.0018083 k( 491) = ( 0.5000000 0.0000000 0.0083333), wk = 0.0018083 k( 492) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0018083 k( 493) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0018083 k( 494) = ( 0.3333333 0.3333333 0.0083333), wk = 0.0018083 k( 495) = ( 0.3333333 0.3333333 0.0166667), wk = 0.0018083 k( 496) = ( 0.3333333 0.3333333 0.0250000), wk = 0.0018083 k( 497) = ( 0.3333333 0.3333333 0.0333333), wk = 0.0018083 k( 498) = ( 0.3333333 0.3333333 0.0416667), wk = 0.0018083 k( 499) = ( 0.3333333 0.3333333 0.0500000), wk = 0.0018083 k( 500) = ( 0.3333333 0.3333333 0.0583333), wk = 0.0018083 k( 501) = ( 0.3333333 0.3333333 0.0666667), wk = 0.0018083 k( 502) = ( 0.3333333 0.3333333 0.0750000), wk = 0.0018083 k( 503) = ( 0.3333333 0.3333333 0.0833333), wk = 0.0018083 k( 504) = ( 0.3333333 0.3333333 0.0916667), wk = 0.0018083 k( 505) = ( 0.3333333 0.3333333 0.1000000), wk = 0.0018083 k( 506) = ( 0.3333333 0.3333333 0.1083333), wk = 0.0018083 k( 507) = ( 0.3333333 0.3333333 0.1166667), wk = 0.0018083 k( 508) = ( 0.3333333 0.3333333 0.1250000), wk = 0.0018083 k( 509) = ( 0.3333333 0.3333333 0.1333333), wk = 0.0018083 k( 510) = ( 0.3333333 0.3333333 0.1416667), wk = 0.0018083 k( 511) = ( 0.3333333 0.3333333 0.1500000), wk = 0.0018083 k( 512) = ( 0.3333333 0.3333333 0.1583333), wk = 0.0018083 k( 513) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0018083 k( 514) = ( 0.3333333 0.3333333 0.1750000), wk = 0.0018083 k( 515) = ( 0.3333333 0.3333333 0.1833333), wk = 0.0018083 k( 516) = ( 0.3333333 0.3333333 0.1916667), wk = 0.0018083 k( 517) = ( 0.3333333 0.3333333 0.2000000), wk = 0.0018083 k( 518) = ( 0.3333333 0.3333333 0.2083333), wk = 0.0018083 k( 519) = ( 0.3333333 0.3333333 0.2166667), wk = 0.0018083 k( 520) = ( 0.3333333 0.3333333 0.2250000), wk = 0.0018083 k( 521) = ( 0.3333333 0.3333333 0.2333333), wk = 0.0018083 k( 522) = ( 0.3333333 0.3333333 0.2416667), wk = 0.0018083 k( 523) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0018083 k( 524) = ( 0.3333333 0.3333333 0.2583333), wk = 0.0018083 k( 525) = ( 0.3333333 0.3333333 0.2666667), wk = 0.0018083 k( 526) = ( 0.3333333 0.3333333 0.2750000), wk = 0.0018083 k( 527) = ( 0.3333333 0.3333333 0.2833333), wk = 0.0018083 k( 528) = ( 0.3333333 0.3333333 0.2916667), wk = 0.0018083 k( 529) = ( 0.3333333 0.3333333 0.3000000), wk = 0.0018083 k( 530) = ( 0.3333333 0.3333333 0.3083333), wk = 0.0018083 k( 531) = ( 0.3333333 0.3333333 0.3166667), wk = 0.0018083 k( 532) = ( 0.3333333 0.3333333 0.3250000), wk = 0.0018083 k( 533) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0018083 k( 534) = ( 0.3333333 0.3333333 0.3416667), wk = 0.0018083 k( 535) = ( 0.3333333 0.3333333 0.3500000), wk = 0.0018083 k( 536) = ( 0.3333333 0.3333333 0.3583333), wk = 0.0018083 k( 537) = ( 0.3333333 0.3333333 0.3666667), wk = 0.0018083 k( 538) = ( 0.3333333 0.3333333 0.3750000), wk = 0.0018083 k( 539) = ( 0.3333333 0.3333333 0.3833333), wk = 0.0018083 k( 540) = ( 0.3333333 0.3333333 0.3916667), wk = 0.0018083 k( 541) = ( 0.3333333 0.3333333 0.4000000), wk = 0.0018083 k( 542) = ( 0.3333333 0.3333333 0.4083333), wk = 0.0018083 k( 543) = ( 0.3333333 0.3333333 0.4166667), wk = 0.0018083 k( 544) = ( 0.3333333 0.3333333 0.4250000), wk = 0.0018083 k( 545) = ( 0.3333333 0.3333333 0.4333333), wk = 0.0018083 k( 546) = ( 0.3333333 0.3333333 0.4416667), wk = 0.0018083 k( 547) = ( 0.3333333 0.3333333 0.4500000), wk = 0.0018083 k( 548) = ( 0.3333333 0.3333333 0.4583333), wk = 0.0018083 k( 549) = ( 0.3333333 0.3333333 0.4666667), wk = 0.0018083 k( 550) = ( 0.3333333 0.3333333 0.4750000), wk = 0.0018083 k( 551) = ( 0.3333333 0.3333333 0.4833333), wk = 0.0018083 k( 552) = ( 0.3333333 0.3333333 0.4916667), wk = 0.0018083 k( 553) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0018083 Dense grid: 32537 G-vectors FFT dimensions: ( 45, 45, 45) Smooth grid: 5279 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 0.03 Mb ( 2025) Each G-vector array 0.01 Mb ( 677) G-vector shells 0.00 Mb ( 342) 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= -0.000002 0.000000 The potential is recalculated from file : ./VN.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 40.7 secs Computing kpt #: 2 total cpu time spent up to now is 41.0 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 41.6 secs Computing kpt #: 6 total cpu time spent up to now is 41.8 secs Computing kpt #: 7 total cpu time spent up to now is 42.1 secs Computing kpt #: 8 total cpu time spent up to now is 42.4 secs Computing kpt #: 9 total cpu time spent up to now is 42.7 secs Computing kpt #: 10 total cpu time spent up to now is 42.9 secs Computing kpt #: 11 total cpu time spent up to now is 43.1 secs Computing kpt #: 12 total cpu time spent up to now is 43.4 secs Computing kpt #: 13 total cpu time spent up to now is 43.6 secs Computing kpt #: 14 total cpu time spent up to now is 43.8 secs Computing kpt #: 15 total cpu time spent up to now is 44.0 secs Computing kpt #: 16 total cpu time spent up to now is 44.2 secs Computing kpt #: 17 total cpu time spent up to now is 44.4 secs Computing kpt #: 18 total cpu time spent up to now is 44.6 secs Computing kpt #: 19 total cpu time spent up to now is 44.8 secs Computing kpt #: 20 total cpu time spent up to now is 45.1 secs Computing kpt #: 21 total cpu time spent up to now is 45.3 secs Computing kpt #: 22 total cpu time spent up to now is 45.5 secs Computing kpt #: 23 total cpu time spent up to now is 45.7 secs Computing kpt #: 24 total cpu time spent up to now is 45.9 secs Computing kpt #: 25 total cpu time spent up to now is 46.1 secs Computing kpt #: 26 total cpu time spent up to now is 46.3 secs Computing kpt #: 27 total cpu time spent up to now is 46.5 secs Computing kpt #: 28 total cpu time spent up to now is 46.7 secs Computing kpt #: 29 total cpu time spent up to now is 47.2 secs Computing kpt #: 30 total cpu time spent up to now is 47.4 secs Computing kpt #: 31 total cpu time spent up to now is 47.7 secs Computing kpt #: 32 total cpu time spent up to now is 47.9 secs Computing kpt #: 33 total cpu time spent up to now is 48.2 secs Computing kpt #: 34 total cpu time spent up to now is 48.5 secs Computing kpt #: 35 total cpu time spent up to now is 48.7 secs Computing kpt #: 36 total cpu time spent up to now is 49.0 secs Computing kpt #: 37 total cpu time spent up to now is 49.3 secs Computing kpt #: 38 total cpu time spent up to now is 49.5 secs Computing kpt #: 39 total cpu time spent up to now is 49.8 secs Computing kpt #: 40 total cpu time spent up to now is 50.2 secs Computing kpt #: 41 total cpu time spent up to now is 50.6 secs Computing kpt #: 42 total cpu time spent up to now is 50.9 secs Computing kpt #: 43 total cpu time spent up to now is 51.2 secs Computing kpt #: 44 total cpu time spent up to now is 51.4 secs Computing kpt #: 45 total cpu time spent up to now is 51.8 secs Computing kpt #: 46 total cpu time spent up to now is 52.0 secs Computing kpt #: 47 total cpu time spent up to now is 52.2 secs Computing kpt #: 48 total cpu time spent up to now is 52.5 secs Computing kpt #: 49 total cpu time spent up to now is 52.7 secs Computing kpt #: 50 total cpu time spent up to now is 53.3 secs Computing kpt #: 51 total cpu time spent up to now is 53.6 secs Computing kpt #: 52 total cpu time spent up to now is 53.9 secs Computing kpt #: 53 total cpu time spent up to now is 54.1 secs Computing kpt #: 54 total cpu time spent up to now is 54.3 secs Computing kpt #: 55 total cpu time spent up to now is 54.5 secs Computing kpt #: 56 total cpu time spent up to now is 54.8 secs Computing kpt #: 57 total cpu time spent up to now is 55.1 secs Computing kpt #: 58 total cpu time spent up to now is 55.3 secs Computing kpt #: 59 total cpu time spent up to now is 55.5 secs Computing kpt #: 60 total cpu time spent up to now is 55.7 secs Computing kpt #: 61 total cpu time spent up to now is 55.9 secs Computing kpt #: 62 total cpu time spent up to now is 56.2 secs Computing kpt #: 63 total cpu time spent up to now is 56.4 secs Computing kpt #: 64 total cpu time spent up to now is 56.6 secs Computing kpt #: 65 total cpu time spent up to now is 56.7 secs Computing kpt #: 66 total cpu time spent up to now is 57.0 secs Computing kpt #: 67 total cpu time spent up to now is 57.1 secs Computing kpt #: 68 total cpu time spent up to now is 57.3 secs Computing kpt #: 69 total cpu time spent up to now is 57.5 secs Computing kpt #: 70 total cpu time spent up to now is 57.7 secs Computing kpt #: 71 total cpu time spent up to now is 58.0 secs Computing kpt #: 72 total cpu time spent up to now is 58.2 secs Computing kpt #: 73 total cpu time spent up to now is 58.4 secs Computing kpt #: 74 total cpu time spent up to now is 58.6 secs Computing kpt #: 75 total cpu time spent up to now is 58.8 secs Computing kpt #: 76 total cpu time spent up to now is 59.0 secs Computing kpt #: 77 total cpu time spent up to now is 59.2 secs Computing kpt #: 78 total cpu time spent up to now is 59.4 secs Computing kpt #: 79 total cpu time spent up to now is 59.6 secs Computing kpt #: 80 total cpu time spent up to now is 59.8 secs Computing kpt #: 81 total cpu time spent up to now is 60.0 secs Computing kpt #: 82 total cpu time spent up to now is 60.3 secs Computing kpt #: 83 total cpu time spent up to now is 60.5 secs Computing kpt #: 84 total cpu time spent up to now is 60.7 secs Computing kpt #: 85 total cpu time spent up to now is 60.9 secs Computing kpt #: 86 total cpu time spent up to now is 61.1 secs Computing kpt #: 87 total cpu time spent up to now is 61.3 secs Computing kpt #: 88 total cpu time spent up to now is 61.6 secs Computing kpt #: 89 total cpu time spent up to now is 61.9 secs Computing kpt #: 90 total cpu time spent up to now is 62.2 secs Computing kpt #: 91 total cpu time spent up to now is 62.4 secs Computing kpt #: 92 total cpu time spent up to now is 62.7 secs Computing kpt #: 93 total cpu time spent up to now is 62.9 secs Computing kpt #: 94 total cpu time spent up to now is 63.1 secs Computing kpt #: 95 total cpu time spent up to now is 63.4 secs Computing kpt #: 96 total cpu time spent up to now is 63.6 secs Computing kpt #: 97 total cpu time spent up to now is 63.9 secs Computing kpt #: 98 total cpu time spent up to now is 64.2 secs Computing kpt #: 99 total cpu time spent up to now is 64.4 secs Computing kpt #: 100 total cpu time spent up to now is 64.6 secs Computing kpt #: 101 total cpu time spent up to now is 64.9 secs Computing kpt #: 102 total cpu time spent up to now is 65.1 secs Computing kpt #: 103 total cpu time spent up to now is 65.4 secs Computing kpt #: 104 total cpu time spent up to now is 65.8 secs Computing kpt #: 105 total cpu time spent up to now is 66.0 secs Computing kpt #: 106 total cpu time spent up to now is 66.2 secs Computing kpt #: 107 total cpu time spent up to now is 66.4 secs Computing kpt #: 108 total cpu time spent up to now is 66.6 secs Computing kpt #: 109 total cpu time spent up to now is 66.8 secs Computing kpt #: 110 total cpu time spent up to now is 67.0 secs Computing kpt #: 111 total cpu time spent up to now is 67.3 secs Computing kpt #: 112 total cpu time spent up to now is 67.5 secs Computing kpt #: 113 total cpu time spent up to now is 67.7 secs Computing kpt #: 114 total cpu time spent up to now is 67.9 secs Computing kpt #: 115 total cpu time spent up to now is 68.1 secs Computing kpt #: 116 total cpu time spent up to now is 68.3 secs Computing kpt #: 117 total cpu time spent up to now is 68.5 secs Computing kpt #: 118 total cpu time spent up to now is 68.7 secs Computing kpt #: 119 total cpu time spent up to now is 68.9 secs Computing kpt #: 120 total cpu time spent up to now is 69.3 secs Computing kpt #: 121 total cpu time spent up to now is 69.5 secs Computing kpt #: 122 total cpu time spent up to now is 69.8 secs Computing kpt #: 123 total cpu time spent up to now is 70.2 secs Computing kpt #: 124 total cpu time spent up to now is 70.4 secs Computing kpt #: 125 total cpu time spent up to now is 70.7 secs Computing kpt #: 126 total cpu time spent up to now is 70.9 secs Computing kpt #: 127 total cpu time spent up to now is 71.2 secs Computing kpt #: 128 total cpu time spent up to now is 71.6 secs Computing kpt #: 129 total cpu time spent up to now is 71.9 secs Computing kpt #: 130 total cpu time spent up to now is 72.1 secs Computing kpt #: 131 total cpu time spent up to now is 72.3 secs Computing kpt #: 132 total cpu time spent up to now is 72.6 secs Computing kpt #: 133 total cpu time spent up to now is 72.8 secs Computing kpt #: 134 total cpu time spent up to now is 73.3 secs Computing kpt #: 135 total cpu time spent up to now is 73.7 secs Computing kpt #: 136 total cpu time spent up to now is 74.3 secs Computing kpt #: 137 total cpu time spent up to now is 74.6 secs Computing kpt #: 138 total cpu time spent up to now is 74.8 secs Computing kpt #: 139 total cpu time spent up to now is 75.1 secs Computing kpt #: 140 total cpu time spent up to now is 75.5 secs Computing kpt #: 141 total cpu time spent up to now is 76.1 secs Computing kpt #: 142 total cpu time spent up to now is 76.8 secs Computing kpt #: 143 total cpu time spent up to now is 77.0 secs Computing kpt #: 144 total cpu time spent up to now is 77.2 secs Computing kpt #: 145 total cpu time spent up to now is 77.4 secs Computing kpt #: 146 total cpu time spent up to now is 77.6 secs Computing kpt #: 147 total cpu time spent up to now is 77.8 secs Computing kpt #: 148 total cpu time spent up to now is 78.0 secs Computing kpt #: 149 total cpu time spent up to now is 78.2 secs Computing kpt #: 150 total cpu time spent up to now is 78.4 secs Computing kpt #: 151 total cpu time spent up to now is 78.6 secs Computing kpt #: 152 total cpu time spent up to now is 78.8 secs Computing kpt #: 153 total cpu time spent up to now is 79.0 secs Computing kpt #: 154 total cpu time spent up to now is 79.2 secs Computing kpt #: 155 total cpu time spent up to now is 79.4 secs Computing kpt #: 156 total cpu time spent up to now is 79.7 secs Computing kpt #: 157 total cpu time spent up to now is 80.0 secs Computing kpt #: 158 total cpu time spent up to now is 80.2 secs Computing kpt #: 159 total cpu time spent up to now is 80.7 secs Computing kpt #: 160 total cpu time spent up to now is 80.9 secs Computing kpt #: 161 total cpu time spent up to now is 81.2 secs Computing kpt #: 162 total cpu time spent up to now is 81.5 secs Computing kpt #: 163 total cpu time spent up to now is 81.8 secs Computing kpt #: 164 total cpu time spent up to now is 82.2 secs Computing kpt #: 165 total cpu time spent up to now is 82.4 secs Computing kpt #: 166 total cpu time spent up to now is 82.6 secs Computing kpt #: 167 total cpu time spent up to now is 82.9 secs Computing kpt #: 168 total cpu time spent up to now is 83.2 secs Computing kpt #: 169 total cpu time spent up to now is 83.5 secs Computing kpt #: 170 total cpu time spent up to now is 83.7 secs Computing kpt #: 171 total cpu time spent up to now is 84.2 secs Computing kpt #: 172 total cpu time spent up to now is 84.6 secs Computing kpt #: 173 total cpu time spent up to now is 85.0 secs Computing kpt #: 174 total cpu time spent up to now is 85.2 secs Computing kpt #: 175 total cpu time spent up to now is 85.5 secs Computing kpt #: 176 total cpu time spent up to now is 85.8 secs Computing kpt #: 177 total cpu time spent up to now is 86.0 secs Computing kpt #: 178 total cpu time spent up to now is 86.3 secs Computing kpt #: 179 total cpu time spent up to now is 86.6 secs Computing kpt #: 180 total cpu time spent up to now is 86.8 secs Computing kpt #: 181 total cpu time spent up to now is 87.0 secs Computing kpt #: 182 total cpu time spent up to now is 87.2 secs Computing kpt #: 183 total cpu time spent up to now is 87.4 secs Computing kpt #: 184 total cpu time spent up to now is 87.6 secs Computing kpt #: 185 total cpu time spent up to now is 87.8 secs Computing kpt #: 186 total cpu time spent up to now is 88.1 secs Computing kpt #: 187 total cpu time spent up to now is 88.3 secs Computing kpt #: 188 total cpu time spent up to now is 88.5 secs Computing kpt #: 189 total cpu time spent up to now is 88.7 secs Computing kpt #: 190 total cpu time spent up to now is 88.9 secs Computing kpt #: 191 total cpu time spent up to now is 89.1 secs Computing kpt #: 192 total cpu time spent up to now is 89.3 secs Computing kpt #: 193 total cpu time spent up to now is 89.6 secs Computing kpt #: 194 total cpu time spent up to now is 89.9 secs Computing kpt #: 195 total cpu time spent up to now is 90.2 secs Computing kpt #: 196 total cpu time spent up to now is 90.5 secs Computing kpt #: 197 total cpu time spent up to now is 90.7 secs Computing kpt #: 198 total cpu time spent up to now is 91.0 secs Computing kpt #: 199 total cpu time spent up to now is 91.3 secs Computing kpt #: 200 total cpu time spent up to now is 91.6 secs Computing kpt #: 201 total cpu time spent up to now is 91.8 secs Computing kpt #: 202 total cpu time spent up to now is 92.1 secs Computing kpt #: 203 total cpu time spent up to now is 92.4 secs Computing kpt #: 204 total cpu time spent up to now is 92.6 secs Computing kpt #: 205 total cpu time spent up to now is 92.9 secs Computing kpt #: 206 total cpu time spent up to now is 93.2 secs Computing kpt #: 207 total cpu time spent up to now is 93.6 secs Computing kpt #: 208 total cpu time spent up to now is 94.1 secs Computing kpt #: 209 total cpu time spent up to now is 94.4 secs Computing kpt #: 210 total cpu time spent up to now is 95.0 secs Computing kpt #: 211 total cpu time spent up to now is 95.3 secs Computing kpt #: 212 total cpu time spent up to now is 95.5 secs Computing kpt #: 213 total cpu time spent up to now is 95.7 secs Computing kpt #: 214 total cpu time spent up to now is 95.9 secs Computing kpt #: 215 total cpu time spent up to now is 96.1 secs Computing kpt #: 216 total cpu time spent up to now is 96.3 secs Computing kpt #: 217 total cpu time spent up to now is 96.5 secs Computing kpt #: 218 total cpu time spent up to now is 96.7 secs Computing kpt #: 219 total cpu time spent up to now is 96.9 secs Computing kpt #: 220 total cpu time spent up to now is 97.1 secs Computing kpt #: 221 total cpu time spent up to now is 97.3 secs Computing kpt #: 222 total cpu time spent up to now is 97.5 secs Computing kpt #: 223 total cpu time spent up to now is 97.7 secs Computing kpt #: 224 total cpu time spent up to now is 98.0 secs Computing kpt #: 225 total cpu time spent up to now is 98.2 secs Computing kpt #: 226 total cpu time spent up to now is 98.4 secs Computing kpt #: 227 total cpu time spent up to now is 98.6 secs Computing kpt #: 228 total cpu time spent up to now is 98.9 secs Computing kpt #: 229 total cpu time spent up to now is 99.1 secs Computing kpt #: 230 total cpu time spent up to now is 99.4 secs Computing kpt #: 231 total cpu time spent up to now is 99.7 secs Computing kpt #: 232 total cpu time spent up to now is 99.9 secs Computing kpt #: 233 total cpu time spent up to now is 100.1 secs Computing kpt #: 234 total cpu time spent up to now is 100.4 secs Computing kpt #: 235 total cpu time spent up to now is 100.6 secs Computing kpt #: 236 total cpu time spent up to now is 100.9 secs Computing kpt #: 237 total cpu time spent up to now is 101.3 secs Computing kpt #: 238 total cpu time spent up to now is 101.6 secs Computing kpt #: 239 total cpu time spent up to now is 101.8 secs Computing kpt #: 240 total cpu time spent up to now is 102.2 secs Computing kpt #: 241 total cpu time spent up to now is 102.6 secs Computing kpt #: 242 total cpu time spent up to now is 102.8 secs Computing kpt #: 243 total cpu time spent up to now is 103.1 secs Computing kpt #: 244 total cpu time spent up to now is 103.3 secs Computing kpt #: 245 total cpu time spent up to now is 103.5 secs Computing kpt #: 246 total cpu time spent up to now is 103.7 secs Computing kpt #: 247 total cpu time spent up to now is 104.0 secs Computing kpt #: 248 total cpu time spent up to now is 104.2 secs Computing kpt #: 249 total cpu time spent up to now is 104.4 secs Computing kpt #: 250 total cpu time spent up to now is 104.6 secs Computing kpt #: 251 total cpu time spent up to now is 104.9 secs Computing kpt #: 252 total cpu time spent up to now is 105.1 secs Computing kpt #: 253 total cpu time spent up to now is 105.3 secs Computing kpt #: 254 total cpu time spent up to now is 105.6 secs Computing kpt #: 255 total cpu time spent up to now is 105.8 secs Computing kpt #: 256 total cpu time spent up to now is 106.2 secs Computing kpt #: 257 total cpu time spent up to now is 106.4 secs Computing kpt #: 258 total cpu time spent up to now is 106.7 secs Computing kpt #: 259 total cpu time spent up to now is 107.1 secs Computing kpt #: 260 total cpu time spent up to now is 107.7 secs Computing kpt #: 261 total cpu time spent up to now is 108.1 secs Computing kpt #: 262 total cpu time spent up to now is 108.3 secs Computing kpt #: 263 total cpu time spent up to now is 108.7 secs Computing kpt #: 264 total cpu time spent up to now is 109.2 secs Computing kpt #: 265 total cpu time spent up to now is 109.6 secs Computing kpt #: 266 total cpu time spent up to now is 110.1 secs Computing kpt #: 267 total cpu time spent up to now is 110.6 secs Computing kpt #: 268 total cpu time spent up to now is 110.9 secs Computing kpt #: 269 total cpu time spent up to now is 111.2 secs Computing kpt #: 270 total cpu time spent up to now is 111.4 secs Computing kpt #: 271 total cpu time spent up to now is 111.7 secs Computing kpt #: 272 total cpu time spent up to now is 112.2 secs Computing kpt #: 273 total cpu time spent up to now is 112.4 secs Computing kpt #: 274 total cpu time spent up to now is 112.7 secs Computing kpt #: 275 total cpu time spent up to now is 112.9 secs Computing kpt #: 276 total cpu time spent up to now is 113.1 secs Computing kpt #: 277 total cpu time spent up to now is 113.3 secs Computing kpt #: 278 total cpu time spent up to now is 113.6 secs Computing kpt #: 279 total cpu time spent up to now is 113.8 secs Computing kpt #: 280 total cpu time spent up to now is 114.0 secs Computing kpt #: 281 total cpu time spent up to now is 114.9 secs Computing kpt #: 282 total cpu time spent up to now is 115.1 secs Computing kpt #: 283 total cpu time spent up to now is 115.3 secs Computing kpt #: 284 total cpu time spent up to now is 115.6 secs Computing kpt #: 285 total cpu time spent up to now is 115.8 secs Computing kpt #: 286 total cpu time spent up to now is 116.1 secs Computing kpt #: 287 total cpu time spent up to now is 116.4 secs Computing kpt #: 288 total cpu time spent up to now is 116.7 secs Computing kpt #: 289 total cpu time spent up to now is 117.0 secs Computing kpt #: 290 total cpu time spent up to now is 117.3 secs Computing kpt #: 291 total cpu time spent up to now is 117.5 secs Computing kpt #: 292 total cpu time spent up to now is 117.8 secs Computing kpt #: 293 total cpu time spent up to now is 118.1 secs Computing kpt #: 294 total cpu time spent up to now is 118.3 secs Computing kpt #: 295 total cpu time spent up to now is 118.6 secs Computing kpt #: 296 total cpu time spent up to now is 119.1 secs Computing kpt #: 297 total cpu time spent up to now is 119.9 secs Computing kpt #: 298 total cpu time spent up to now is 120.3 secs Computing kpt #: 299 total cpu time spent up to now is 120.7 secs Computing kpt #: 300 total cpu time spent up to now is 121.0 secs Computing kpt #: 301 total cpu time spent up to now is 122.6 secs Computing kpt #: 302 total cpu time spent up to now is 123.3 secs Computing kpt #: 303 total cpu time spent up to now is 123.6 secs Computing kpt #: 304 total cpu time spent up to now is 123.8 secs Computing kpt #: 305 total cpu time spent up to now is 124.0 secs Computing kpt #: 306 total cpu time spent up to now is 124.2 secs Computing kpt #: 307 total cpu time spent up to now is 124.4 secs Computing kpt #: 308 total cpu time spent up to now is 124.6 secs Computing kpt #: 309 total cpu time spent up to now is 124.8 secs Computing kpt #: 310 total cpu time spent up to now is 125.0 secs Computing kpt #: 311 total cpu time spent up to now is 125.2 secs Computing kpt #: 312 total cpu time spent up to now is 125.4 secs Computing kpt #: 313 total cpu time spent up to now is 125.6 secs Computing kpt #: 314 total cpu time spent up to now is 125.8 secs Computing kpt #: 315 total cpu time spent up to now is 126.0 secs Computing kpt #: 316 total cpu time spent up to now is 126.9 secs Computing kpt #: 317 total cpu time spent up to now is 127.2 secs Computing kpt #: 318 total cpu time spent up to now is 127.5 secs Computing kpt #: 319 total cpu time spent up to now is 127.8 secs Computing kpt #: 320 total cpu time spent up to now is 128.1 secs Computing kpt #: 321 total cpu time spent up to now is 128.4 secs Computing kpt #: 322 total cpu time spent up to now is 128.6 secs Computing kpt #: 323 total cpu time spent up to now is 128.9 secs Computing kpt #: 324 total cpu time spent up to now is 129.1 secs Computing kpt #: 325 total cpu time spent up to now is 129.3 secs Computing kpt #: 326 total cpu time spent up to now is 129.5 secs Computing kpt #: 327 total cpu time spent up to now is 129.7 secs Computing kpt #: 328 total cpu time spent up to now is 130.0 secs Computing kpt #: 329 total cpu time spent up to now is 130.2 secs Computing kpt #: 330 total cpu time spent up to now is 130.4 secs Computing kpt #: 331 total cpu time spent up to now is 130.6 secs Computing kpt #: 332 total cpu time spent up to now is 130.8 secs Computing kpt #: 333 total cpu time spent up to now is 131.1 secs Computing kpt #: 334 total cpu time spent up to now is 131.3 secs Computing kpt #: 335 total cpu time spent up to now is 131.5 secs Computing kpt #: 336 total cpu time spent up to now is 131.7 secs Computing kpt #: 337 total cpu time spent up to now is 132.1 secs Computing kpt #: 338 total cpu time spent up to now is 132.5 secs Computing kpt #: 339 total cpu time spent up to now is 132.8 secs Computing kpt #: 340 total cpu time spent up to now is 133.1 secs Computing kpt #: 341 total cpu time spent up to now is 133.4 secs Computing kpt #: 342 total cpu time spent up to now is 133.9 secs Computing kpt #: 343 total cpu time spent up to now is 134.3 secs Computing kpt #: 344 total cpu time spent up to now is 134.5 secs Computing kpt #: 345 total cpu time spent up to now is 134.8 secs Computing kpt #: 346 total cpu time spent up to now is 135.0 secs Computing kpt #: 347 total cpu time spent up to now is 135.2 secs Computing kpt #: 348 total cpu time spent up to now is 135.4 secs Computing kpt #: 349 total cpu time spent up to now is 135.6 secs Computing kpt #: 350 total cpu time spent up to now is 135.8 secs Computing kpt #: 351 total cpu time spent up to now is 136.0 secs Computing kpt #: 352 total cpu time spent up to now is 136.2 secs Computing kpt #: 353 total cpu time spent up to now is 136.4 secs Computing kpt #: 354 total cpu time spent up to now is 136.6 secs Computing kpt #: 355 total cpu time spent up to now is 136.8 secs Computing kpt #: 356 total cpu time spent up to now is 137.0 secs Computing kpt #: 357 total cpu time spent up to now is 137.2 secs Computing kpt #: 358 total cpu time spent up to now is 137.4 secs Computing kpt #: 359 total cpu time spent up to now is 137.6 secs Computing kpt #: 360 total cpu time spent up to now is 137.8 secs Computing kpt #: 361 total cpu time spent up to now is 138.3 secs Computing kpt #: 362 total cpu time spent up to now is 138.6 secs Computing kpt #: 363 total cpu time spent up to now is 138.8 secs Computing kpt #: 364 total cpu time spent up to now is 139.1 secs Computing kpt #: 365 total cpu time spent up to now is 139.5 secs Computing kpt #: 366 total cpu time spent up to now is 139.8 secs Computing kpt #: 367 total cpu time spent up to now is 140.0 secs Computing kpt #: 368 total cpu time spent up to now is 140.3 secs Computing kpt #: 369 total cpu time spent up to now is 140.5 secs Computing kpt #: 370 total cpu time spent up to now is 140.8 secs Computing kpt #: 371 total cpu time spent up to now is 141.3 secs Computing kpt #: 372 total cpu time spent up to now is 141.6 secs Computing kpt #: 373 total cpu time spent up to now is 142.0 secs Computing kpt #: 374 total cpu time spent up to now is 142.5 secs Computing kpt #: 375 total cpu time spent up to now is 142.8 secs Computing kpt #: 376 total cpu time spent up to now is 143.1 secs Computing kpt #: 377 total cpu time spent up to now is 143.4 secs Computing kpt #: 378 total cpu time spent up to now is 143.7 secs Computing kpt #: 379 total cpu time spent up to now is 143.9 secs Computing kpt #: 380 total cpu time spent up to now is 144.3 secs Computing kpt #: 381 total cpu time spent up to now is 144.5 secs Computing kpt #: 382 total cpu time spent up to now is 144.7 secs Computing kpt #: 383 total cpu time spent up to now is 144.9 secs Computing kpt #: 384 total cpu time spent up to now is 145.1 secs Computing kpt #: 385 total cpu time spent up to now is 145.3 secs Computing kpt #: 386 total cpu time spent up to now is 145.5 secs Computing kpt #: 387 total cpu time spent up to now is 145.8 secs Computing kpt #: 388 total cpu time spent up to now is 146.3 secs Computing kpt #: 389 total cpu time spent up to now is 146.5 secs Computing kpt #: 390 total cpu time spent up to now is 146.7 secs Computing kpt #: 391 total cpu time spent up to now is 146.9 secs Computing kpt #: 392 total cpu time spent up to now is 147.1 secs Computing kpt #: 393 total cpu time spent up to now is 147.3 secs Computing kpt #: 394 total cpu time spent up to now is 147.5 secs Computing kpt #: 395 total cpu time spent up to now is 147.7 secs Computing kpt #: 396 total cpu time spent up to now is 148.1 secs Computing kpt #: 397 total cpu time spent up to now is 148.5 secs Computing kpt #: 398 total cpu time spent up to now is 148.9 secs Computing kpt #: 399 total cpu time spent up to now is 149.2 secs Computing kpt #: 400 total cpu time spent up to now is 149.5 secs Computing kpt #: 401 total cpu time spent up to now is 149.9 secs Computing kpt #: 402 total cpu time spent up to now is 150.2 secs Computing kpt #: 403 total cpu time spent up to now is 150.6 secs Computing kpt #: 404 total cpu time spent up to now is 150.8 secs Computing kpt #: 405 total cpu time spent up to now is 151.1 secs Computing kpt #: 406 total cpu time spent up to now is 151.8 secs Computing kpt #: 407 total cpu time spent up to now is 152.2 secs Computing kpt #: 408 total cpu time spent up to now is 152.5 secs Computing kpt #: 409 total cpu time spent up to now is 152.9 secs Computing kpt #: 410 total cpu time spent up to now is 153.2 secs Computing kpt #: 411 total cpu time spent up to now is 153.7 secs Computing kpt #: 412 total cpu time spent up to now is 154.2 secs Computing kpt #: 413 total cpu time spent up to now is 154.8 secs Computing kpt #: 414 total cpu time spent up to now is 155.2 secs Computing kpt #: 415 total cpu time spent up to now is 155.5 secs Computing kpt #: 416 total cpu time spent up to now is 155.9 secs Computing kpt #: 417 total cpu time spent up to now is 156.2 secs Computing kpt #: 418 total cpu time spent up to now is 157.0 secs Computing kpt #: 419 total cpu time spent up to now is 157.3 secs Computing kpt #: 420 total cpu time spent up to now is 157.6 secs Computing kpt #: 421 total cpu time spent up to now is 158.2 secs Computing kpt #: 422 total cpu time spent up to now is 158.5 secs Computing kpt #: 423 total cpu time spent up to now is 159.0 secs Computing kpt #: 424 total cpu time spent up to now is 159.5 secs Computing kpt #: 425 total cpu time spent up to now is 159.7 secs Computing kpt #: 426 total cpu time spent up to now is 159.9 secs Computing kpt #: 427 total cpu time spent up to now is 160.1 secs Computing kpt #: 428 total cpu time spent up to now is 160.3 secs Computing kpt #: 429 total cpu time spent up to now is 160.5 secs Computing kpt #: 430 total cpu time spent up to now is 160.7 secs Computing kpt #: 431 total cpu time spent up to now is 160.9 secs Computing kpt #: 432 total cpu time spent up to now is 161.1 secs Computing kpt #: 433 total cpu time spent up to now is 161.3 secs Computing kpt #: 434 total cpu time spent up to now is 161.5 secs Computing kpt #: 435 total cpu time spent up to now is 161.8 secs Computing kpt #: 436 total cpu time spent up to now is 162.0 secs Computing kpt #: 437 total cpu time spent up to now is 162.2 secs Computing kpt #: 438 total cpu time spent up to now is 162.4 secs Computing kpt #: 439 total cpu time spent up to now is 162.6 secs Computing kpt #: 440 total cpu time spent up to now is 162.8 secs Computing kpt #: 441 total cpu time spent up to now is 163.0 secs Computing kpt #: 442 total cpu time spent up to now is 163.3 secs Computing kpt #: 443 total cpu time spent up to now is 163.5 secs Computing kpt #: 444 total cpu time spent up to now is 163.7 secs Computing kpt #: 445 total cpu time spent up to now is 163.9 secs Computing kpt #: 446 total cpu time spent up to now is 164.1 secs Computing kpt #: 447 total cpu time spent up to now is 164.3 secs Computing kpt #: 448 total cpu time spent up to now is 164.5 secs Computing kpt #: 449 total cpu time spent up to now is 164.8 secs Computing kpt #: 450 total cpu time spent up to now is 165.0 secs Computing kpt #: 451 total cpu time spent up to now is 165.3 secs Computing kpt #: 452 total cpu time spent up to now is 165.6 secs Computing kpt #: 453 total cpu time spent up to now is 165.9 secs Computing kpt #: 454 total cpu time spent up to now is 166.5 secs Computing kpt #: 455 total cpu time spent up to now is 166.9 secs Computing kpt #: 456 total cpu time spent up to now is 167.2 secs Computing kpt #: 457 total cpu time spent up to now is 167.5 secs Computing kpt #: 458 total cpu time spent up to now is 167.9 secs Computing kpt #: 459 total cpu time spent up to now is 168.6 secs Computing kpt #: 460 total cpu time spent up to now is 168.9 secs Computing kpt #: 461 total cpu time spent up to now is 169.4 secs Computing kpt #: 462 total cpu time spent up to now is 169.8 secs Computing kpt #: 463 total cpu time spent up to now is 170.5 secs Computing kpt #: 464 total cpu time spent up to now is 170.8 secs Computing kpt #: 465 total cpu time spent up to now is 171.1 secs Computing kpt #: 466 total cpu time spent up to now is 171.4 secs Computing kpt #: 467 total cpu time spent up to now is 171.8 secs Computing kpt #: 468 total cpu time spent up to now is 172.2 secs Computing kpt #: 469 total cpu time spent up to now is 172.4 secs Computing kpt #: 470 total cpu time spent up to now is 172.8 secs Computing kpt #: 471 total cpu time spent up to now is 173.0 secs Computing kpt #: 472 total cpu time spent up to now is 173.2 secs Computing kpt #: 473 total cpu time spent up to now is 173.4 secs Computing kpt #: 474 total cpu time spent up to now is 173.6 secs Computing kpt #: 475 total cpu time spent up to now is 173.8 secs Computing kpt #: 476 total cpu time spent up to now is 174.0 secs Computing kpt #: 477 total cpu time spent up to now is 174.2 secs Computing kpt #: 478 total cpu time spent up to now is 174.4 secs Computing kpt #: 479 total cpu time spent up to now is 174.6 secs Computing kpt #: 480 total cpu time spent up to now is 174.9 secs Computing kpt #: 481 total cpu time spent up to now is 175.1 secs Computing kpt #: 482 total cpu time spent up to now is 175.3 secs Computing kpt #: 483 total cpu time spent up to now is 175.5 secs Computing kpt #: 484 total cpu time spent up to now is 175.7 secs Computing kpt #: 485 total cpu time spent up to now is 175.9 secs Computing kpt #: 486 total cpu time spent up to now is 176.1 secs Computing kpt #: 487 total cpu time spent up to now is 176.3 secs Computing kpt #: 488 total cpu time spent up to now is 176.5 secs Computing kpt #: 489 total cpu time spent up to now is 176.7 secs Computing kpt #: 490 total cpu time spent up to now is 176.9 secs Computing kpt #: 491 total cpu time spent up to now is 177.1 secs Computing kpt #: 492 total cpu time spent up to now is 177.3 secs Computing kpt #: 493 total cpu time spent up to now is 177.5 secs Computing kpt #: 494 total cpu time spent up to now is 177.7 secs Computing kpt #: 495 total cpu time spent up to now is 177.9 secs Computing kpt #: 496 total cpu time spent up to now is 178.1 secs Computing kpt #: 497 total cpu time spent up to now is 178.3 secs Computing kpt #: 498 total cpu time spent up to now is 178.5 secs Computing kpt #: 499 total cpu time spent up to now is 178.7 secs Computing kpt #: 500 total cpu time spent up to now is 178.9 secs Computing kpt #: 501 total cpu time spent up to now is 179.1 secs Computing kpt #: 502 total cpu time spent up to now is 179.3 secs Computing kpt #: 503 total cpu time spent up to now is 179.5 secs Computing kpt #: 504 total cpu time spent up to now is 179.7 secs Computing kpt #: 505 total cpu time spent up to now is 179.9 secs Computing kpt #: 506 total cpu time spent up to now is 180.1 secs Computing kpt #: 507 total cpu time spent up to now is 180.3 secs Computing kpt #: 508 total cpu time spent up to now is 180.5 secs Computing kpt #: 509 total cpu time spent up to now is 180.8 secs Computing kpt #: 510 total cpu time spent up to now is 181.0 secs Computing kpt #: 511 total cpu time spent up to now is 181.2 secs Computing kpt #: 512 total cpu time spent up to now is 181.4 secs Computing kpt #: 513 total cpu time spent up to now is 181.6 secs Computing kpt #: 514 total cpu time spent up to now is 181.8 secs Computing kpt #: 515 total cpu time spent up to now is 182.0 secs Computing kpt #: 516 total cpu time spent up to now is 182.3 secs Computing kpt #: 517 total cpu time spent up to now is 182.6 secs Computing kpt #: 518 total cpu time spent up to now is 182.8 secs Computing kpt #: 519 total cpu time spent up to now is 183.2 secs Computing kpt #: 520 total cpu time spent up to now is 183.4 secs Computing kpt #: 521 total cpu time spent up to now is 183.7 secs Computing kpt #: 522 total cpu time spent up to now is 183.9 secs Computing kpt #: 523 total cpu time spent up to now is 184.2 secs Computing kpt #: 524 total cpu time spent up to now is 184.4 secs Computing kpt #: 525 total cpu time spent up to now is 186.6 secs Computing kpt #: 526 total cpu time spent up to now is 187.1 secs Computing kpt #: 527 total cpu time spent up to now is 187.8 secs Computing kpt #: 528 total cpu time spent up to now is 188.2 secs Computing kpt #: 529 total cpu time spent up to now is 188.6 secs Computing kpt #: 530 total cpu time spent up to now is 188.9 secs Computing kpt #: 531 total cpu time spent up to now is 189.2 secs Computing kpt #: 532 total cpu time spent up to now is 190.0 secs Computing kpt #: 533 total cpu time spent up to now is 190.5 secs Computing kpt #: 534 total cpu time spent up to now is 191.0 secs Computing kpt #: 535 total cpu time spent up to now is 191.3 secs Computing kpt #: 536 total cpu time spent up to now is 191.5 secs Computing kpt #: 537 total cpu time spent up to now is 191.7 secs Computing kpt #: 538 total cpu time spent up to now is 191.9 secs Computing kpt #: 539 total cpu time spent up to now is 192.1 secs Computing kpt #: 540 total cpu time spent up to now is 192.3 secs Computing kpt #: 541 total cpu time spent up to now is 192.5 secs Computing kpt #: 542 total cpu time spent up to now is 192.7 secs Computing kpt #: 543 total cpu time spent up to now is 192.9 secs Computing kpt #: 544 total cpu time spent up to now is 193.1 secs Computing kpt #: 545 total cpu time spent up to now is 193.3 secs Computing kpt #: 546 total cpu time spent up to now is 193.5 secs Computing kpt #: 547 total cpu time spent up to now is 193.7 secs Computing kpt #: 548 total cpu time spent up to now is 193.9 secs Computing kpt #: 549 total cpu time spent up to now is 194.1 secs Computing kpt #: 550 total cpu time spent up to now is 194.3 secs Computing kpt #: 551 total cpu time spent up to now is 194.6 secs Computing kpt #: 552 total cpu time spent up to now is 194.7 secs Computing kpt #: 553 total cpu time spent up to now is 194.9 secs ethr = 5.56E-11, avg # of iterations = 13.7 total cpu time spent up to now is 195.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 659 PWs) bands (ev): -47.0635 -47.0635 -21.1726 -21.1726 -20.3700 -20.3700 -20.2761 -20.2761 0.4489 0.4489 14.1173 14.1173 14.1257 14.1257 14.8214 14.8214 16.0169 16.0169 19.3689 19.3689 19.4009 19.4009 20.9479 20.9479 20.9720 20.9720 k = 0.0076 0.0044-0.0000 ( 659 PWs) bands (ev): -47.0634 -47.0634 -21.1727 -21.1727 -20.3701 -20.3701 -20.2763 -20.2763 0.4500 0.4500 14.1153 14.1153 14.1248 14.1248 14.8230 14.8230 16.0146 16.0146 19.3700 19.3700 19.4021 19.4021 20.9465 20.9465 20.9707 20.9707 k = 0.0152 0.0087-0.0000 ( 659 PWs) bands (ev): -47.0633 -47.0633 -21.1730 -21.1730 -20.3703 -20.3703 -20.2770 -20.2770 0.4533 0.4533 14.1063 14.1063 14.1254 14.1254 14.8277 14.8277 16.0078 16.0078 19.3727 19.3727 19.4067 19.4067 20.9423 20.9423 20.9671 20.9671 k = 0.0227 0.0131-0.0000 ( 659 PWs) bands (ev): -47.0630 -47.0630 -21.1735 -21.1735 -20.3706 -20.3706 -20.2781 -20.2781 0.4587 0.4587 14.0894 14.0894 14.1284 14.1284 14.8353 14.8353 15.9965 15.9965 19.3752 19.3752 19.4161 19.4161 20.9348 20.9348 20.9616 20.9616 k = 0.0303 0.0175-0.0000 ( 659 PWs) bands (ev): -47.0626 -47.0626 -21.1742 -21.1742 -20.3710 -20.3710 -20.2796 -20.2796 0.4664 0.4664 14.0656 14.0656 14.1332 14.1332 14.8456 14.8456 15.9808 15.9808 19.3762 19.3762 19.4317 19.4317 20.9234 20.9234 20.9549 20.9549 k = 0.0379 0.0219-0.0000 ( 660 PWs) bands (ev): -47.0622 -47.0622 -21.1751 -21.1751 -20.3716 -20.3716 -20.2815 -20.2815 0.4761 0.4761 14.0356 14.0356 14.1395 14.1395 14.8582 14.8582 15.9610 15.9610 19.3757 19.3757 19.4531 19.4531 20.9080 20.9080 20.9474 20.9474 k = 0.0455 0.0262-0.0000 ( 664 PWs) bands (ev): -47.0616 -47.0616 -21.1763 -21.1763 -20.3724 -20.3724 -20.2839 -20.2839 0.4881 0.4881 13.9997 13.9997 14.1473 14.1473 14.8730 14.8730 15.9372 15.9372 19.3741 19.3741 19.4797 19.4797 20.8888 20.8888 20.9389 20.9389 k = 0.0530 0.0306-0.0000 ( 660 PWs) bands (ev): -47.0609 -47.0609 -21.1776 -21.1776 -20.3733 -20.3733 -20.2866 -20.2866 0.5021 0.5021 13.9586 13.9586 14.1564 14.1564 14.8895 14.8895 15.9097 15.9097 19.3717 19.3717 19.5111 19.5111 20.8660 20.8660 20.9296 20.9296 k = 0.0606 0.0350-0.0000 ( 660 PWs) bands (ev): -47.0601 -47.0601 -21.1791 -21.1791 -20.3744 -20.3744 -20.2897 -20.2897 0.5183 0.5183 13.9124 13.9124 14.1669 14.1669 14.9076 14.9076 15.8788 15.8788 19.3687 19.3687 19.5468 19.5468 20.8400 20.8400 20.9192 20.9192 k = 0.0682 0.0394-0.0000 ( 660 PWs) bands (ev): -47.0593 -47.0593 -21.1809 -21.1809 -20.3756 -20.3756 -20.2931 -20.2931 0.5366 0.5366 13.8617 13.8617 14.1788 14.1788 14.9271 14.9271 15.8447 15.8447 19.3651 19.3651 19.5864 19.5864 20.8111 20.8111 20.9078 20.9078 k = 0.0758 0.0437-0.0000 ( 658 PWs) bands (ev): -47.0583 -47.0583 -21.1828 -21.1828 -20.3771 -20.3771 -20.2967 -20.2967 0.5569 0.5569 13.8066 13.8066 14.1920 14.1920 14.9477 14.9477 15.8076 15.8076 19.3611 19.3611 19.6297 19.6297 20.7794 20.7794 20.8953 20.8953 k = 0.0833 0.0481-0.0000 ( 658 PWs) bands (ev): -47.0572 -47.0572 -21.1850 -21.1850 -20.3788 -20.3788 -20.3006 -20.3006 0.5792 0.5792 13.7476 13.7476 14.2065 14.2065 14.9694 14.9694 15.7680 15.7680 19.3565 19.3565 19.6761 19.6761 20.7453 20.7453 20.8818 20.8818 k = 0.0909 0.0525-0.0000 ( 658 PWs) bands (ev): -47.0561 -47.0561 -21.1874 -21.1874 -20.3807 -20.3807 -20.3047 -20.3047 0.6036 0.6036 13.6850 13.6850 14.2222 14.2222 14.9920 14.9920 15.7260 15.7260 19.3516 19.3516 19.7255 19.7255 20.7090 20.7090 20.8673 20.8673 k = 0.0985 0.0569-0.0000 ( 658 PWs) bands (ev): -47.0548 -47.0548 -21.1899 -21.1899 -20.3829 -20.3829 -20.3090 -20.3090 0.6299 0.6299 13.6189 13.6189 14.2391 14.2391 15.0155 15.0155 15.6820 15.6820 19.3462 19.3462 19.7775 19.7775 20.6708 20.6708 20.8518 20.8518 k = 0.1061 0.0612-0.0000 ( 658 PWs) bands (ev): -47.0535 -47.0535 -21.1928 -21.1928 -20.3855 -20.3855 -20.3133 -20.3133 0.6582 0.6582 13.5497 13.5497 14.2572 14.2572 15.0396 15.0396 15.6361 15.6361 19.3404 19.3404 19.8318 19.8318 20.6308 20.6308 20.8355 20.8355 k = 0.1136 0.0656-0.0000 ( 658 PWs) bands (ev): -47.0521 -47.0521 -21.1958 -21.1958 -20.3884 -20.3884 -20.3176 -20.3176 0.6883 0.6883 13.4776 13.4776 14.2765 14.2765 15.0644 15.0644 15.5887 15.5887 19.3343 19.3343 19.8881 19.8881 20.5895 20.5895 20.8183 20.8183 k = 0.1212 0.0700-0.0000 ( 658 PWs) bands (ev): -47.0506 -47.0506 -21.1991 -21.1991 -20.3917 -20.3917 -20.3219 -20.3219 0.7203 0.7203 13.4028 13.4028 14.2969 14.2969 15.0897 15.0897 15.5400 15.5400 19.3278 19.3278 19.9462 19.9462 20.5469 20.5469 20.8004 20.8004 k = 0.1288 0.0744-0.0000 ( 658 PWs) bands (ev): -47.0490 -47.0490 -21.2025 -21.2025 -20.3954 -20.3954 -20.3261 -20.3261 0.7540 0.7540 13.3257 13.3257 14.3183 14.3183 15.1154 15.1154 15.4902 15.4902 19.3209 19.3209 20.0057 20.0057 20.5033 20.5033 20.7818 20.7818 k = 0.1364 0.0787-0.0000 ( 658 PWs) bands (ev): -47.0474 -47.0474 -21.2062 -21.2062 -20.3996 -20.3996 -20.3301 -20.3301 0.7895 0.7895 13.2464 13.2464 14.3408 14.3408 15.1413 15.1413 15.4395 15.4395 19.3138 19.3138 20.0664 20.0664 20.4591 20.4591 20.7625 20.7625 k = 0.1439 0.0831-0.0000 ( 654 PWs) bands (ev): -47.0456 -47.0456 -21.2101 -21.2101 -20.4043 -20.4043 -20.3338 -20.3338 0.8267 0.8267 13.1652 13.1652 14.3642 14.3642 15.1675 15.1675 15.3881 15.3881 19.3064 19.3064 20.1280 20.1280 20.4145 20.4145 20.7427 20.7427 k = 0.1515 0.0875-0.0000 ( 654 PWs) bands (ev): -47.0438 -47.0438 -21.2143 -21.2143 -20.4094 -20.4094 -20.3373 -20.3373 0.8656 0.8656 13.0823 13.0823 14.3885 14.3885 15.1937 15.1937 15.3363 15.3363 19.2986 19.2986 20.1902 20.1902 20.3699 20.3699 20.7224 20.7224 k = 0.1591 0.0919-0.0000 ( 654 PWs) bands (ev): -47.0420 -47.0420 -21.2187 -21.2187 -20.4151 -20.4151 -20.3406 -20.3406 0.9060 0.9060 12.9978 12.9978 14.4136 14.4136 15.2197 15.2197 15.2842 15.2842 19.2906 19.2906 20.2520 20.2520 20.3264 20.3264 20.7017 20.7017 k = 0.1667 0.0962-0.0000 ( 654 PWs) bands (ev): -47.0401 -47.0401 -21.2232 -21.2232 -20.4212 -20.4212 -20.3436 -20.3436 0.9480 0.9480 12.9121 12.9121 14.4396 14.4396 15.2299 15.2299 15.2475 15.2475 19.2824 19.2824 20.2754 20.2754 20.3218 20.3218 20.6807 20.6807 k = 0.1742 0.1006-0.0000 ( 652 PWs) bands (ev): -47.0381 -47.0381 -21.2280 -21.2280 -20.4276 -20.4276 -20.3463 -20.3463 0.9913 0.9913 12.8252 12.8252 14.4663 14.4663 15.1786 15.1786 15.2719 15.2719 19.2740 19.2740 20.2342 20.2342 20.3826 20.3826 20.6594 20.6594 k = 0.1818 0.1050-0.0000 ( 652 PWs) bands (ev): -47.0361 -47.0361 -21.2330 -21.2330 -20.4345 -20.4345 -20.3487 -20.3487 1.0361 1.0361 12.7374 12.7374 14.4937 14.4937 15.1262 15.1262 15.2969 15.2969 19.2653 19.2653 20.1915 20.1915 20.4457 20.4457 20.6381 20.6381 k = 0.1894 0.1093-0.0000 ( 656 PWs) bands (ev): -47.0341 -47.0341 -21.2383 -21.2383 -20.4416 -20.4416 -20.3510 -20.3510 1.0822 1.0822 12.6489 12.6489 14.5216 14.5216 15.0740 15.0740 15.3214 15.3214 19.2565 19.2565 20.1496 20.1496 20.5085 20.5085 20.6169 20.6169 k = 0.1970 0.1137-0.0000 ( 656 PWs) bands (ev): -47.0320 -47.0320 -21.2437 -21.2437 -20.4490 -20.4490 -20.3530 -20.3530 1.1295 1.1295 12.5598 12.5598 14.5502 14.5502 15.0220 15.0220 15.3450 15.3450 19.2476 19.2476 20.1089 20.1089 20.5673 20.5673 20.5996 20.5996 k = 0.2045 0.1181-0.0000 ( 656 PWs) bands (ev): -47.0299 -47.0299 -21.2493 -21.2493 -20.4566 -20.4566 -20.3549 -20.3549 1.1780 1.1780 12.4703 12.4703 14.5792 14.5792 14.9705 14.9705 15.3676 15.3676 19.2385 19.2385 20.0699 20.0699 20.5695 20.5695 20.6384 20.6384 k = 0.2121 0.1225-0.0000 ( 660 PWs) bands (ev): -47.0277 -47.0277 -21.2551 -21.2551 -20.4643 -20.4643 -20.3566 -20.3566 1.2276 1.2276 12.3806 12.3806 14.6085 14.6085 14.9194 14.9194 15.3891 15.3891 19.2292 19.2292 20.0327 20.0327 20.5491 20.5491 20.6994 20.6994 k = 0.2197 0.1268-0.0000 ( 656 PWs) bands (ev): -47.0255 -47.0255 -21.2611 -21.2611 -20.4722 -20.4722 -20.3582 -20.3582 1.2781 1.2781 12.2908 12.2908 14.6383 14.6383 14.8690 14.8690 15.4093 15.4093 19.2199 19.2199 19.9976 19.9976 20.5278 20.5278 20.7606 20.7606 k = 0.2273 0.1312-0.0000 ( 656 PWs) bands (ev): -47.0233 -47.0233 -21.2673 -21.2673 -20.4801 -20.4801 -20.3596 -20.3596 1.3296 1.3296 12.2011 12.2011 14.6682 14.6682 14.8194 14.8194 15.4281 15.4281 19.2106 19.2106 19.9649 19.9649 20.5066 20.5066 20.8213 20.8213 k = 0.2348 0.1356-0.0000 ( 656 PWs) bands (ev): -47.0211 -47.0211 -21.2736 -21.2736 -20.4881 -20.4881 -20.3609 -20.3609 1.3819 1.3819 12.1116 12.1116 14.6979 14.6979 14.7708 14.7708 15.4452 15.4452 19.2011 19.2011 19.9347 19.9347 20.4855 20.4855 20.8811 20.8811 k = 0.2424 0.1400-0.0000 ( 664 PWs) bands (ev): -47.0189 -47.0189 -21.2801 -21.2801 -20.4961 -20.4961 -20.3621 -20.3621 1.4349 1.4349 12.0225 12.0225 14.7159 14.7159 14.7348 14.7348 15.4605 15.4605 19.1916 19.1916 19.9073 19.9073 20.4646 20.4646 20.9399 20.9399 k = 0.2500 0.1443-0.0000 ( 664 PWs) bands (ev): -47.0167 -47.0167 -21.2867 -21.2867 -20.5040 -20.5040 -20.3633 -20.3633 1.4885 1.4885 11.9340 11.9340 14.6733 14.6733 14.7606 14.7606 15.4739 15.4739 19.1822 19.1822 19.8829 19.8829 20.4442 20.4442 20.9976 20.9976 k = 0.2576 0.1487-0.0000 ( 664 PWs) bands (ev): -47.0144 -47.0144 -21.2934 -21.2934 -20.5119 -20.5119 -20.3643 -20.3643 1.5427 1.5427 11.8460 11.8460 14.6272 14.6272 14.7907 14.7907 15.4855 15.4855 19.1727 19.1727 19.8615 19.8615 20.4241 20.4241 21.0541 21.0541 k = 0.2652 0.1531-0.0000 ( 668 PWs) bands (ev): -47.0122 -47.0122 -21.3002 -21.3002 -20.5196 -20.5196 -20.3653 -20.3653 1.5972 1.5972 11.7589 11.7589 14.5819 14.5819 14.8209 14.8209 15.4949 15.4949 19.1633 19.1633 19.8433 19.8433 20.4044 20.4044 21.1093 21.1093 k = 0.2727 0.1575-0.0000 ( 670 PWs) bands (ev): -47.0100 -47.0100 -21.3071 -21.3071 -20.5273 -20.5273 -20.3662 -20.3662 1.6521 1.6521 11.6726 11.6726 14.5375 14.5375 14.8510 14.8510 15.5022 15.5022 19.1539 19.1539 19.8285 19.8285 20.3853 20.3853 21.1632 21.1632 k = 0.2803 0.1618-0.0000 ( 670 PWs) bands (ev): -47.0078 -47.0078 -21.3141 -21.3141 -20.5348 -20.5348 -20.3670 -20.3670 1.7072 1.7072 11.5874 11.5874 14.4942 14.4942 14.8810 14.8810 15.5074 15.5074 19.1446 19.1446 19.8170 19.8170 20.3667 20.3667 21.2156 21.2156 k = 0.2879 0.1662-0.0000 ( 670 PWs) bands (ev): -47.0056 -47.0056 -21.3211 -21.3211 -20.5422 -20.5422 -20.3678 -20.3678 1.7623 1.7623 11.5034 11.5034 14.4521 14.4521 14.9106 14.9106 15.5104 15.5104 19.1355 19.1355 19.8088 19.8088 20.3486 20.3486 21.2665 21.2665 k = 0.2955 0.1706-0.0000 ( 666 PWs) bands (ev): -47.0034 -47.0034 -21.3282 -21.3282 -20.5494 -20.5494 -20.3685 -20.3685 1.8174 1.8174 11.4206 11.4206 14.4111 14.4111 14.9399 14.9399 15.5113 15.5113 19.1264 19.1264 19.8040 19.8040 20.3312 20.3312 21.3159 21.3159 k = 0.3030 0.1750-0.0000 ( 666 PWs) bands (ev): -47.0013 -47.0013 -21.3352 -21.3352 -20.5565 -20.5565 -20.3691 -20.3691 1.8724 1.8724 11.3393 11.3393 14.3713 14.3713 14.9688 14.9688 15.5101 15.5101 19.1175 19.1175 19.8025 19.8025 20.3144 20.3144 21.3637 21.3637 k = 0.3106 0.1793-0.0000 ( 662 PWs) bands (ev): -46.9992 -46.9992 -21.3423 -21.3423 -20.5633 -20.5633 -20.3697 -20.3697 1.9270 1.9270 11.2595 11.2595 14.3328 14.3328 14.9972 14.9972 15.5069 15.5069 19.1087 19.1087 19.8042 19.8042 20.2983 20.2983 21.4098 21.4098 k = 0.3182 0.1837-0.0000 ( 662 PWs) bands (ev): -46.9971 -46.9971 -21.3493 -21.3493 -20.5699 -20.5699 -20.3703 -20.3703 1.9812 1.9812 11.1813 11.1813 14.2955 14.2955 15.0250 15.0250 15.5018 15.5018 19.1002 19.1002 19.8089 19.8089 20.2828 20.2828 21.4542 21.4542 k = 0.3258 0.1881-0.0000 ( 658 PWs) bands (ev): -46.9951 -46.9951 -21.3562 -21.3562 -20.5763 -20.5763 -20.3708 -20.3708 2.0349 2.0349 11.1050 11.1050 14.2596 14.2596 15.0522 15.0522 15.4950 15.4950 19.0918 19.0918 19.8165 19.8165 20.2681 20.2681 21.4969 21.4969 k = 0.3333 0.1925-0.0000 ( 654 PWs) bands (ev): -46.9931 -46.9931 -21.3631 -21.3631 -20.5825 -20.5825 -20.3713 -20.3713 2.0878 2.0878 11.0305 11.0305 14.2250 14.2250 15.0787 15.0787 15.4864 15.4864 19.0836 19.0836 19.8267 19.8267 20.2541 20.2541 21.5378 21.5378 k = 0.3409 0.1968-0.0000 ( 654 PWs) bands (ev): -46.9912 -46.9912 -21.3698 -21.3698 -20.5884 -20.5884 -20.3717 -20.3717 2.1399 2.1399 10.9581 10.9581 14.1917 14.1917 15.1044 15.1044 15.4765 15.4765 19.0757 19.0757 19.8394 19.8394 20.2407 20.2407 21.5769 21.5769 k = 0.3485 0.2012-0.0000 ( 656 PWs) bands (ev): -46.9893 -46.9893 -21.3765 -21.3765 -20.5941 -20.5941 -20.3721 -20.3721 2.1910 2.1910 10.8878 10.8878 14.1599 14.1599 15.1292 15.1292 15.4652 15.4652 19.0680 19.0680 19.8543 19.8543 20.2281 20.2281 21.6143 21.6143 k = 0.3561 0.2056-0.0000 ( 656 PWs) bands (ev): -46.9875 -46.9875 -21.3829 -21.3829 -20.5996 -20.5996 -20.3724 -20.3724 2.2409 2.2409 10.8198 10.8198 14.1295 14.1295 15.1532 15.1532 15.4528 15.4528 19.0606 19.0606 19.8711 19.8711 20.2163 20.2163 21.6498 21.6498 k = 0.3636 0.2099-0.0000 ( 656 PWs) bands (ev): -46.9858 -46.9858 -21.3892 -21.3892 -20.6048 -20.6048 -20.3727 -20.3727 2.2895 2.2895 10.7542 10.7542 14.1005 14.1005 15.1763 15.1763 15.4396 15.4396 19.0534 19.0534 19.8895 19.8895 20.2051 20.2051 21.6835 21.6835 k = 0.3712 0.2143-0.0000 ( 662 PWs) bands (ev): -46.9841 -46.9841 -21.3953 -21.3953 -20.6097 -20.6097 -20.3730 -20.3730 2.3367 2.3367 10.6912 10.6912 14.0730 14.0730 15.1984 15.1984 15.4256 15.4256 19.0466 19.0466 19.9092 19.9092 20.1947 20.1947 21.7153 21.7153 k = 0.3788 0.2187-0.0000 ( 662 PWs) bands (ev): -46.9826 -46.9826 -21.4012 -21.4012 -20.6143 -20.6143 -20.3733 -20.3733 2.3823 2.3823 10.6308 10.6308 14.0470 14.0470 15.2195 15.2195 15.4112 15.4112 19.0401 19.0401 19.9299 19.9299 20.1851 20.1851 21.7453 21.7453 k = 0.3864 0.2231-0.0000 ( 662 PWs) bands (ev): -46.9810 -46.9810 -21.4069 -21.4069 -20.6187 -20.6187 -20.3735 -20.3735 2.4261 2.4261 10.5733 10.5733 14.0224 14.0224 15.2394 15.2394 15.3965 15.3965 19.0339 19.0339 19.9514 19.9514 20.1762 20.1762 21.7734 21.7734 k = 0.3939 0.2274-0.0000 ( 660 PWs) bands (ev): -46.9796 -46.9796 -21.4122 -21.4122 -20.6228 -20.6228 -20.3737 -20.3737 2.4681 2.4681 10.5187 10.5187 13.9994 13.9994 15.2582 15.2582 15.3818 15.3818 19.0280 19.0280 19.9731 19.9731 20.1681 20.1681 21.7997 21.7997 k = 0.4015 0.2318-0.0000 ( 660 PWs) bands (ev): -46.9782 -46.9782 -21.4173 -21.4173 -20.6266 -20.6266 -20.3739 -20.3739 2.5079 2.5079 10.4672 10.4672 13.9779 13.9779 15.2758 15.2758 15.3672 15.3672 19.0225 19.0225 19.9948 19.9948 20.1608 20.1608 21.8242 21.8242 k = 0.4091 0.2362-0.0000 ( 660 PWs) bands (ev): -46.9770 -46.9770 -21.4221 -21.4221 -20.6302 -20.6302 -20.3740 -20.3740 2.5455 2.5455 10.4189 10.4189 13.9580 13.9580 15.2921 15.2921 15.3532 15.3532 19.0173 19.0173 20.0162 20.0162 20.1543 20.1543 21.8468 21.8468 k = 0.4167 0.2406-0.0000 ( 660 PWs) bands (ev): -46.9758 -46.9758 -21.4266 -21.4266 -20.6334 -20.6334 -20.3742 -20.3742 2.5808 2.5808 10.3739 10.3739 13.9396 13.9396 15.3065 15.3065 15.3402 15.3402 19.0125 19.0125 20.0368 20.0368 20.1487 20.1487 21.8675 21.8675 k = 0.4242 0.2449-0.0000 ( 664 PWs) bands (ev): -46.9747 -46.9747 -21.4308 -21.4308 -20.6364 -20.6364 -20.3743 -20.3743 2.6135 2.6135 10.3323 10.3323 13.9227 13.9227 15.3155 15.3155 15.3320 15.3320 19.0081 19.0081 20.0561 20.0561 20.1442 20.1442 21.8864 21.8864 k = 0.4318 0.2493-0.0000 ( 662 PWs) bands (ev): -46.9738 -46.9738 -21.4346 -21.4346 -20.6391 -20.6391 -20.3744 -20.3744 2.6436 2.6436 10.2943 10.2943 13.9075 13.9075 15.3096 15.3096 15.3382 15.3382 19.0041 19.0041 20.0735 20.0735 20.1411 20.1411 21.9035 21.9035 k = 0.4394 0.2537-0.0000 ( 662 PWs) bands (ev): -46.9729 -46.9729 -21.4380 -21.4380 -20.6416 -20.6416 -20.3745 -20.3745 2.6709 2.6709 10.2599 10.2599 13.8938 13.8938 15.2993 15.2993 15.3486 15.3486 19.0005 19.0005 20.0880 20.0880 20.1402 20.1402 21.9187 21.9187 k = 0.4470 0.2581-0.0000 ( 660 PWs) bands (ev): -46.9721 -46.9721 -21.4411 -21.4411 -20.6437 -20.6437 -20.3745 -20.3745 2.6953 2.6953 10.2293 10.2293 13.8817 13.8817 15.2891 15.2891 15.3585 15.3585 18.9973 18.9973 20.0984 20.0984 20.1425 20.1425 21.9322 21.9322 k = 0.4545 0.2624-0.0000 ( 660 PWs) bands (ev): -46.9714 -46.9714 -21.4438 -21.4438 -20.6456 -20.6456 -20.3746 -20.3746 2.7166 2.7166 10.2026 10.2026 13.8712 13.8712 15.2800 15.2800 15.3672 15.3672 18.9945 18.9945 20.1040 20.1040 20.1484 20.1484 21.9438 21.9438 k = 0.4621 0.2668-0.0000 ( 660 PWs) bands (ev): -46.9708 -46.9708 -21.4461 -21.4461 -20.6471 -20.6471 -20.3747 -20.3747 2.7349 2.7349 10.1799 10.1799 13.8624 13.8624 15.2720 15.2720 15.3747 15.3747 18.9921 18.9921 20.1060 20.1060 20.1565 20.1565 21.9536 21.9536 k = 0.4697 0.2712-0.0000 ( 660 PWs) bands (ev): -46.9703 -46.9703 -21.4480 -21.4480 -20.6484 -20.6484 -20.3747 -20.3747 2.7500 2.7500 10.1612 10.1612 13.8551 13.8551 15.2653 15.2653 15.3808 15.3808 18.9902 18.9902 20.1063 20.1063 20.1646 20.1646 21.9617 21.9617 k = 0.4773 0.2756-0.0000 ( 660 PWs) bands (ev): -46.9700 -46.9700 -21.4494 -21.4494 -20.6494 -20.6494 -20.3747 -20.3747 2.7618 2.7618 10.1466 10.1466 13.8494 13.8494 15.2600 15.2600 15.3856 15.3856 18.9887 18.9887 20.1059 20.1059 20.1717 20.1717 21.9679 21.9679 k = 0.4848 0.2799-0.0000 ( 660 PWs) bands (ev): -46.9697 -46.9697 -21.4505 -21.4505 -20.6501 -20.6501 -20.3747 -20.3747 2.7703 2.7703 10.1361 10.1361 13.8454 13.8454 15.2562 15.2562 15.3891 15.3891 18.9876 18.9876 20.1055 20.1055 20.1771 20.1771 21.9724 21.9724 k = 0.4924 0.2843-0.0000 ( 660 PWs) bands (ev): -46.9695 -46.9695 -21.4511 -21.4511 -20.6506 -20.6506 -20.3748 -20.3748 2.7754 2.7754 10.1298 10.1298 13.8429 13.8429 15.2539 15.2539 15.3911 15.3911 18.9869 18.9869 20.1051 20.1051 20.1804 20.1804 21.9750 21.9750 k = 0.5000 0.2887-0.0000 ( 660 PWs) bands (ev): -46.9695 -46.9695 -21.4513 -21.4513 -20.6507 -20.6507 -20.3748 -20.3748 2.7771 2.7771 10.1277 10.1277 13.8421 13.8421 15.2532 15.2532 15.3918 15.3918 18.9867 18.9867 20.1050 20.1050 20.1815 20.1815 21.9759 21.9759 k = 0.5000 0.2887-0.0000 ( 660 PWs) bands (ev): -46.9695 -46.9695 -21.4513 -21.4513 -20.6507 -20.6507 -20.3748 -20.3748 2.7771 2.7771 10.1277 10.1277 13.8421 13.8421 15.2532 15.2532 15.3918 15.3918 18.9867 18.9867 20.1050 20.1050 20.1815 20.1815 21.9759 21.9759 k = 0.4957 0.2961-0.0000 ( 660 PWs) bands (ev): -46.9695 -46.9695 -21.4521 -21.4505 -20.6518 -20.6498 -20.3750 -20.3748 2.7768 2.7781 10.1285 10.1291 13.8421 13.8424 15.2096 15.2221 15.4222 15.4343 18.9841 18.9857 20.0992 20.1063 20.1766 20.1854 21.9769 21.9785 k = 0.4915 0.3035-0.0000 ( 660 PWs) bands (ev): -46.9694 -46.9694 -21.4528 -21.4496 -20.6529 -20.6490 -20.3754 -20.3750 2.7774 2.7800 10.1315 10.1329 13.8422 13.8429 15.1376 15.1530 15.4890 15.5034 18.9779 18.9811 20.0893 20.1025 20.1711 20.1877 21.9815 21.9847 k = 0.4872 0.3109-0.0000 ( 660 PWs) bands (ev): -46.9693 -46.9693 -21.4534 -21.4485 -20.6542 -20.6483 -20.3760 -20.3755 2.7788 2.7827 10.1368 10.1388 13.8426 13.8436 15.0587 15.0750 15.5629 15.5779 18.9681 18.9729 20.0758 20.0934 20.1654 20.1881 21.9896 21.9944 k = 0.4829 0.3183-0.0000 ( 660 PWs) bands (ev): -46.9692 -46.9692 -21.4540 -21.4475 -20.6556 -20.6477 -20.3768 -20.3761 2.7810 2.7862 10.1443 10.1470 13.8432 13.8445 14.9767 14.9936 15.6384 15.6536 18.9549 18.9613 20.0588 20.0792 20.1594 20.1865 22.0011 22.0075 k = 0.4786 0.3257-0.0000 ( 660 PWs) bands (ev): -46.9690 -46.9690 -21.4545 -21.4463 -20.6572 -20.6472 -20.3779 -20.3770 2.7840 2.7905 10.1541 10.1574 13.8440 13.8456 14.8929 14.9102 15.7144 15.7297 18.9386 18.9465 20.0387 20.0606 20.1525 20.1828 22.0159 22.0238 k = 0.4744 0.3331-0.0000 ( 660 PWs) bands (ev): -46.9689 -46.9689 -21.4549 -21.4451 -20.6588 -20.6468 -20.3791 -20.3780 2.7878 2.7955 10.1661 10.1700 13.8450 13.8468 14.8075 14.8252 15.7904 15.8057 18.9192 18.9285 20.0155 20.0379 20.1446 20.1770 22.0337 22.0430 k = 0.4701 0.3405-0.0000 ( 660 PWs) bands (ev): -46.9687 -46.9687 -21.4552 -21.4438 -20.6606 -20.6466 -20.3806 -20.3792 2.7924 2.8013 10.1803 10.1849 13.8462 13.8483 14.7207 14.7389 15.8663 15.8815 18.8970 18.9077 19.9893 20.0118 20.1351 20.1691 22.0544 22.0650 k = 0.4658 0.3479-0.0000 ( 662 PWs) bands (ev): -46.9684 -46.9684 -21.4555 -21.4424 -20.6625 -20.6465 -20.3822 -20.3806 2.7977 2.8079 10.1967 10.2019 13.8475 13.8499 14.6327 14.6512 15.9419 15.9573 18.8723 18.8843 19.9605 19.9826 20.1241 20.1592 22.0776 22.0896 k = 0.4615 0.3553-0.0000 ( 662 PWs) bands (ev): -46.9681 -46.9681 -21.4557 -21.4410 -20.6646 -20.6464 -20.3840 -20.3821 2.8037 2.8151 10.2153 10.2212 13.8490 13.8517 14.5435 14.5625 16.0175 16.0329 18.8454 18.8587 19.9290 19.9505 20.1114 20.1474 22.1031 22.1163 k = 0.4573 0.3627-0.0000 ( 666 PWs) bands (ev): -46.9679 -46.9679 -21.4558 -21.4396 -20.6667 -20.6465 -20.3859 -20.3837 2.8104 2.8230 10.2361 10.2425 13.8506 13.8536 14.4531 14.4725 16.0929 16.1084 18.8164 18.8309 19.8952 19.9160 20.0970 20.1337 22.1307 22.1450 k = 0.4530 0.3701-0.0000 ( 666 PWs) bands (ev): -46.9675 -46.9675 -21.4559 -21.4381 -20.6690 -20.6467 -20.3880 -20.3855 2.8177 2.8315 10.2590 10.2661 13.8523 13.8556 14.3617 14.3816 16.1683 16.1839 18.7858 18.8014 19.8592 19.8792 20.0810 20.1182 22.1599 22.1753 k = 0.4487 0.3775-0.0000 ( 666 PWs) bands (ev): -46.9672 -46.9672 -21.4559 -21.4365 -20.6714 -20.6470 -20.3902 -20.3873 2.8257 2.8407 10.2841 10.2917 13.8541 13.8577 14.2692 14.2896 16.2436 16.2595 18.7539 18.7705 19.8211 19.8405 20.0632 20.1011 22.1907 22.2070 k = 0.4444 0.3849-0.0000 ( 666 PWs) bands (ev): -46.9668 -46.9668 -21.4559 -21.4350 -20.6740 -20.6475 -20.3925 -20.3892 2.8342 2.8504 10.3112 10.3194 13.8560 13.8599 14.1759 14.1967 16.3191 16.3351 18.7208 18.7384 19.7813 19.7999 20.0439 20.0823 22.2226 22.2399 k = 0.4402 0.3923-0.0000 ( 666 PWs) bands (ev): -46.9664 -46.9664 -21.4559 -21.4334 -20.6766 -20.6480 -20.3948 -20.3912 2.8433 2.8606 10.3405 10.3492 13.8580 13.8621 14.0816 14.1030 16.3946 16.4109 18.6870 18.7054 19.7399 19.7578 20.0231 20.0619 22.2553 22.2735 k = 0.4359 0.3997-0.0000 ( 666 PWs) bands (ev): -46.9660 -46.9660 -21.4558 -21.4318 -20.6794 -20.6487 -20.3972 -20.3931 2.8529 2.8713 10.3718 10.3810 13.8599 13.8643 13.9866 14.0085 16.4702 16.4868 18.6526 18.6718 19.6972 19.7144 20.0007 20.0401 22.2887 22.3077 k = 0.4316 0.4071-0.0000 ( 666 PWs) bands (ev): -46.9656 -46.9656 -21.4557 -21.4302 -20.6823 -20.6494 -20.3997 -20.3951 2.8629 2.8823 10.4051 10.4148 13.8618 13.8661 13.8911 13.9138 16.5460 16.5630 18.6179 18.6379 19.6532 19.6698 19.9770 20.0169 22.3225 22.3422 k = 0.4274 0.4145-0.0000 ( 666 PWs) bands (ev): -46.9651 -46.9651 -21.4556 -21.4286 -20.6852 -20.6503 -20.4022 -20.3971 2.8733 2.8938 10.4403 10.4506 13.7947 13.8169 13.8640 13.8695 16.6220 16.6394 18.5831 18.6039 19.6083 19.6243 19.9519 19.9924 22.3564 22.3767 k = 0.4231 0.4219-0.0000 ( 666 PWs) bands (ev): -46.9647 -46.9647 -21.4555 -21.4270 -20.6882 -20.6512 -20.4046 -20.3991 2.8841 2.9056 10.4776 10.4882 13.6981 13.7212 13.8659 13.8714 16.6980 16.7159 18.5485 18.5700 19.5626 19.5780 19.9256 19.9667 22.3902 22.4111 k = 0.4188 0.4293-0.0000 ( 666 PWs) bands (ev): -46.9642 -46.9642 -21.4554 -21.4254 -20.6913 -20.6523 -20.4071 -20.4011 2.8951 2.9176 10.5167 10.5277 13.6013 13.6249 13.8678 13.8734 16.7743 16.7927 18.5143 18.5364 19.5163 19.5312 19.8981 19.9399 22.4236 22.4451 k = 0.4145 0.4367-0.0000 ( 666 PWs) bands (ev): -46.9638 -46.9638 -21.4552 -21.4239 -20.6945 -20.6534 -20.4094 -20.4029 2.9063 2.9298 10.5576 10.5691 13.5043 13.5284 13.8696 13.8755 16.8506 16.8696 18.4808 18.5034 19.4696 19.4840 19.8697 19.9121 22.4565 22.4786 k = 0.4103 0.4441-0.0000 ( 670 PWs) bands (ev): -46.9633 -46.9633 -21.4551 -21.4224 -20.6977 -20.6546 -20.4118 -20.4048 2.9177 2.9421 10.6003 10.6121 13.4073 13.4320 13.8713 13.8774 16.9269 16.9466 18.4480 18.4711 19.4225 19.4365 19.8402 19.8834 22.4888 22.5113 k = 0.4060 0.4515-0.0000 ( 672 PWs) bands (ev): -46.9629 -46.9629 -21.4550 -21.4210 -20.7009 -20.6559 -20.4140 -20.4066 2.9292 2.9544 10.6447 10.6569 13.3106 13.3358 13.8728 13.8792 17.0032 17.0236 18.4161 18.4398 19.3754 19.3889 19.8100 19.8539 22.5201 22.5430 k = 0.4017 0.4589-0.0000 ( 672 PWs) bands (ev): -46.9624 -46.9624 -21.4549 -21.4196 -20.7041 -20.6572 -20.4162 -20.4082 2.9407 2.9668 10.6908 10.7032 13.2142 13.2399 13.8743 13.8808 17.0793 17.1006 18.3854 18.4096 19.3284 19.3414 19.7792 19.8239 22.5504 22.5737 k = 0.3974 0.4663-0.0000 ( 672 PWs) bands (ev): -46.9619 -46.9619 -21.4548 -21.4183 -20.7072 -20.6586 -20.4183 -20.4098 2.9522 2.9790 10.7384 10.7510 13.1185 13.1447 13.8756 13.8823 17.1552 17.1775 18.3560 18.3806 19.2815 19.2940 19.7479 19.7933 22.5795 22.6032 k = 0.3932 0.4737-0.0000 ( 672 PWs) bands (ev): -46.9615 -46.9615 -21.4547 -21.4170 -20.7103 -20.6600 -20.4202 -20.4113 2.9635 2.9911 10.7874 10.8003 13.0236 13.0504 13.8767 13.8837 17.2307 17.2540 18.3281 18.3530 19.2350 19.2470 19.7162 19.7625 22.6073 22.6313 k = 0.3889 0.4811-0.0000 ( 664 PWs) bands (ev): -46.9610 -46.9610 -21.4546 -21.4159 -20.7134 -20.6614 -20.4220 -20.4127 2.9746 3.0029 10.8378 10.8508 12.9297 12.9571 13.8777 13.8849 17.3055 17.3300 18.3017 18.3269 19.1891 19.2004 19.6844 19.7315 22.6337 22.6579 k = 0.3846 0.4885-0.0000 ( 664 PWs) bands (ev): -46.9606 -46.9606 -21.4546 -21.4148 -20.7163 -20.6628 -20.4237 -20.4140 2.9854 3.0144 10.8893 10.9024 12.8372 12.8651 13.8786 13.8859 17.3794 17.4052 18.2768 18.3025 19.1439 19.1545 19.6526 19.7006 22.6584 22.6830 k = 0.3803 0.4959-0.0000 ( 660 PWs) bands (ev): -46.9602 -46.9602 -21.4546 -21.4138 -20.7192 -20.6642 -20.4253 -20.4152 2.9959 3.0255 10.9419 10.9549 12.7463 12.7749 13.8792 13.8867 17.4520 17.4793 18.2538 18.2797 19.0997 19.1094 19.6212 19.6701 22.6816 22.7063 k = 0.3761 0.5033-0.0000 ( 660 PWs) bands (ev): -46.9598 -46.9598 -21.4546 -21.4129 -20.7218 -20.6656 -20.4267 -20.4163 3.0059 3.0361 10.9951 11.0081 12.6573 12.6866 13.8797 13.8873 17.5229 17.5519 18.2325 18.2587 19.0566 19.0654 19.5903 19.6401 22.7029 22.7279 k = 0.3718 0.5107-0.0000 ( 658 PWs) bands (ev): -46.9594 -46.9594 -21.4547 -21.4122 -20.7244 -20.6669 -20.4280 -20.4172 3.0154 3.0461 11.0489 11.0616 12.5708 12.6008 13.8800 13.8878 17.5916 17.6224 18.2131 18.2396 19.0151 19.0227 19.5602 19.6110 22.7225 22.7477 k = 0.3675 0.5181-0.0000 ( 658 PWs) bands (ev): -46.9591 -46.9591 -21.4547 -21.4115 -20.7267 -20.6681 -20.4291 -20.4181 3.0243 3.0555 11.1027 11.1151 12.4872 12.5180 13.8802 13.8881 17.6575 17.6904 18.1957 18.2224 18.9754 18.9817 19.5312 19.5829 22.7402 22.7655 k = 0.3632 0.5255-0.0000 ( 662 PWs) bands (ev): -46.9588 -46.9588 -21.4548 -21.4109 -20.7288 -20.6693 -20.4301 -20.4188 3.0324 3.0641 11.1560 11.1679 12.4072 12.4389 13.8803 13.8882 17.7197 17.7548 18.1802 18.2071 18.9381 18.9429 19.5038 19.5564 22.7559 22.7813 k = 0.3590 0.5329-0.0000 ( 662 PWs) bands (ev): -46.9585 -46.9585 -21.4549 -21.4104 -20.7307 -20.6703 -20.4310 -20.4194 3.0398 3.0718 11.2081 11.2194 12.3316 12.3642 13.8802 13.8883 17.7774 17.8149 18.1667 18.1939 18.9038 18.9069 19.4782 19.5317 22.7696 22.7952 k = 0.3547 0.5403-0.0000 ( 662 PWs) bands (ev): -46.9582 -46.9582 -21.4550 -21.4100 -20.7323 -20.6712 -20.4317 -20.4200 3.0463 3.0786 11.2580 11.2685 12.2616 12.2953 13.8801 13.8882 17.8294 17.8694 18.1553 18.1827 18.8732 18.8745 19.4549 19.5093 22.7813 22.8069 k = 0.3504 0.5477-0.0000 ( 664 PWs) bands (ev): -46.9581 -46.9581 -21.4552 -21.4097 -20.7337 -20.6720 -20.4322 -20.4204 3.0518 3.0843 11.3042 11.3137 12.1987 12.2337 13.8799 13.8881 17.8745 17.9168 18.1459 18.1736 18.8466 18.8470 19.4344 19.4897 22.7909 22.8166 k = 0.3462 0.5551-0.0000 ( 664 PWs) bands (ev): -46.9579 -46.9579 -21.4553 -21.4095 -20.7347 -20.6726 -20.4326 -20.4207 3.0562 3.0889 11.3446 11.3530 12.1451 12.1814 13.8796 13.8879 17.9112 17.9558 18.1385 18.1665 18.8241 18.8262 19.4173 19.4734 22.7984 22.8242 k = 0.3419 0.5625-0.0000 ( 668 PWs) bands (ev): -46.9578 -46.9578 -21.4554 -21.4094 -20.7355 -20.6731 -20.4330 -20.4209 3.0595 3.0924 11.3766 11.3839 12.1035 12.1411 13.8794 13.8877 17.9383 17.9846 18.1332 18.1615 18.8079 18.8113 19.4042 19.4609 22.8037 22.8296 k = 0.3376 0.5699-0.0000 ( 672 PWs) bands (ev): -46.9577 -46.9577 -21.4554 -21.4093 -20.7360 -20.6734 -20.4331 -20.4210 3.0615 3.0945 11.3974 11.4038 12.0770 12.1155 13.8793 13.8876 17.9549 18.0022 18.1300 18.1584 18.7984 18.8026 19.3958 19.4530 22.8069 22.8328 k = 0.3333 0.5774-0.0000 ( 672 PWs) bands (ev): -46.9577 -46.9577 -21.4554 -21.4093 -20.7361 -20.6735 -20.4332 -20.4211 3.0622 3.0952 11.4046 11.4107 12.0679 12.1067 13.8792 13.8875 17.9604 18.0081 18.1289 18.1574 18.7954 18.7999 19.3929 19.4502 22.8080 22.8339 k = 0.3333 0.5774-0.0000 ( 672 PWs) bands (ev): -46.9577 -46.9577 -21.4554 -21.4093 -20.7361 -20.6735 -20.4332 -20.4211 3.0622 3.0952 11.4046 11.4107 12.0679 12.1067 13.8792 13.8875 17.9604 18.0081 18.1289 18.1574 18.7954 18.7999 19.3929 19.4502 22.8080 22.8339 k = 0.3290 0.5699-0.0000 ( 672 PWs) bands (ev): -46.9577 -46.9577 -21.4554 -21.4093 -20.7360 -20.6734 -20.4331 -20.4210 3.0614 3.0944 11.3974 11.4039 12.0770 12.1155 13.8793 13.8876 17.9549 18.0023 18.1300 18.1584 18.7980 18.8023 19.3961 19.4532 22.8069 22.8328 k = 0.3247 0.5624-0.0000 ( 666 PWs) bands (ev): -46.9578 -46.9578 -21.4553 -21.4094 -20.7355 -20.6730 -20.4330 -20.4209 3.0592 3.0921 11.3776 11.3848 12.1030 12.1406 13.8796 13.8879 17.9393 17.9857 18.1332 18.1615 18.8046 18.8085 19.4063 19.4627 22.8036 22.8295 k = 0.3203 0.5549-0.0000 ( 666 PWs) bands (ev): -46.9579 -46.9579 -21.4551 -21.4094 -20.7347 -20.6725 -20.4327 -20.4207 3.0553 3.0880 11.3483 11.3565 12.1427 12.1791 13.8801 13.8884 17.9146 17.9596 18.1384 18.1664 18.8135 18.8169 19.4235 19.4787 22.7981 22.8239 k = 0.3160 0.5474-0.0000 ( 662 PWs) bands (ev): -46.9581 -46.9581 -21.4549 -21.4094 -20.7335 -20.6718 -20.4323 -20.4204 3.0497 3.0822 11.3128 11.3220 12.1926 12.2280 13.8810 13.8892 17.8825 17.9257 18.1455 18.1732 18.8229 18.8260 19.4479 19.5014 22.7904 22.8162 k = 0.3117 0.5399-0.0000 ( 662 PWs) bands (ev): -46.9584 -46.9584 -21.4545 -21.4094 -20.7320 -20.6708 -20.4318 -20.4201 3.0423 3.0746 11.2740 11.2840 12.2502 12.2845 13.8822 13.8903 17.8440 17.8854 18.1544 18.1818 18.8318 18.8350 19.4790 19.5303 22.7805 22.8062 k = 0.3074 0.5324-0.0000 ( 658 PWs) bands (ev): -46.9587 -46.9587 -21.4540 -21.4094 -20.7302 -20.6696 -20.4313 -20.4197 3.0331 3.0651 11.2341 11.2446 12.3133 12.3466 13.8838 13.8919 17.8005 17.8400 18.1650 18.1922 18.8398 18.8433 19.5159 19.5647 22.7685 22.7941 k = 0.3030 0.5249-0.0000 ( 662 PWs) bands (ev): -46.9591 -46.9591 -21.4534 -21.4093 -20.7280 -20.6682 -20.4306 -20.4192 3.0220 3.0536 11.1943 11.2053 12.3804 12.4130 13.8859 13.8940 17.7528 17.7904 18.1773 18.2043 18.8465 18.8506 19.5575 19.6038 22.7543 22.7799 k = 0.2987 0.5174-0.0000 ( 660 PWs) bands (ev): -46.9595 -46.9595 -21.4526 -21.4091 -20.7255 -20.6665 -20.4299 -20.4186 3.0089 3.0401 11.1559 11.1671 12.4507 12.4826 13.8886 13.8965 17.7017 17.7375 18.1912 18.2179 18.8525 18.8571 19.6030 19.6466 22.7381 22.7635 k = 0.2944 0.5099-0.0000 ( 660 PWs) bands (ev): -46.9600 -46.9600 -21.4517 -21.4088 -20.7227 -20.6647 -20.4291 -20.4180 2.9939 3.0246 11.1196 11.1309 12.5232 12.5546 13.8919 13.8997 17.6478 17.6819 18.2066 18.2331 18.8578 18.8630 19.6512 19.6922 22.7197 22.7450 k = 0.2900 0.5024-0.0000 ( 660 PWs) bands (ev): -46.9606 -46.9606 -21.4505 -21.4084 -20.7197 -20.6626 -20.4282 -20.4174 2.9768 3.0069 11.0859 11.0971 12.5974 12.6283 13.8958 13.9035 17.5915 17.6240 18.2235 18.2498 18.8629 18.8687 19.7010 19.7397 22.6993 22.7245 k = 0.2857 0.4949-0.0000 ( 658 PWs) bands (ev): -46.9613 -46.9613 -21.4492 -21.4078 -20.7163 -20.6603 -20.4272 -20.4167 2.9577 2.9872 11.0551 11.0662 12.6729 12.7035 13.9004 13.9081 17.5333 17.5643 18.2418 18.2678 18.8683 18.8744 19.7517 19.7881 22.6769 22.7019 k = 0.2814 0.4874-0.0000 ( 660 PWs) bands (ev): -46.9620 -46.9620 -21.4477 -21.4071 -20.7126 -20.6577 -20.4262 -20.4159 2.9364 2.9654 11.0277 11.0386 12.7494 12.7796 13.9059 13.9134 17.4736 17.5031 18.2613 18.2871 18.8740 18.8805 19.8024 19.8369 22.6524 22.6773 k = 0.2771 0.4799-0.0000 ( 664 PWs) bands (ev): -46.9629 -46.9629 -21.4459 -21.4062 -20.7087 -20.6550 -20.4251 -20.4151 2.9131 2.9414 11.0039 11.0144 12.8266 12.8564 13.9121 13.9195 17.4125 17.4407 18.2820 18.3075 18.8805 18.8873 19.8527 19.8853 22.6260 22.6507 k = 0.2727 0.4724-0.0000 ( 664 PWs) bands (ev): -46.9637 -46.9637 -21.4439 -21.4051 -20.7045 -20.6521 -20.4240 -20.4143 2.8877 2.9153 10.9837 10.9938 12.9041 12.9337 13.9193 13.9266 17.3503 17.3772 18.3038 18.3291 18.8880 18.8949 19.9019 19.9329 22.5977 22.6223 k = 0.2684 0.4649-0.0000 ( 664 PWs) bands (ev): -46.9647 -46.9647 -21.4417 -21.4038 -20.7001 -20.6489 -20.4228 -20.4134 2.8602 2.8871 10.9674 10.9770 12.9818 13.0112 13.9274 13.9346 17.2873 17.3130 18.3266 18.3517 18.8966 18.9035 19.9497 19.9791 22.5676 22.5919 k = 0.2641 0.4574-0.0000 ( 664 PWs) bands (ev): -46.9657 -46.9657 -21.4393 -21.4023 -20.6954 -20.6456 -20.4215 -20.4124 2.8307 2.8568 10.9550 10.9642 13.0596 13.0887 13.9365 13.9435 17.2236 17.2482 18.3504 18.3752 18.9064 18.9133 19.9957 20.0238 22.5356 22.5597 k = 0.2597 0.4499-0.0000 ( 664 PWs) bands (ev): -46.9668 -46.9668 -21.4366 -21.4006 -20.6905 -20.6421 -20.4202 -20.4115 2.7991 2.8244 10.9466 10.9552 13.1371 13.1660 13.9467 13.9535 17.1594 17.1830 18.3750 18.3995 18.9176 18.9244 20.0397 20.0664 22.5018 22.5257 k = 0.2554 0.4424-0.0000 ( 664 PWs) bands (ev): -46.9680 -46.9680 -21.4336 -21.3987 -20.6854 -20.6384 -20.4189 -20.4105 2.7656 2.7900 10.9422 10.9503 13.2141 13.2429 13.9579 13.9646 17.0948 17.1174 18.4004 18.4246 18.9301 18.9368 20.0813 20.1069 22.4662 22.4899 k = 0.2511 0.4349-0.0000 ( 660 PWs) bands (ev): -46.9692 -46.9692 -21.4304 -21.3965 -20.6800 -20.6345 -20.4175 -20.4094 2.7301 2.7537 10.9419 10.9494 13.2906 13.3192 13.9702 13.9769 17.0299 17.0517 18.4264 18.4504 18.9442 18.9505 20.1205 20.1451 22.4290 22.4524 k = 0.2468 0.4274-0.0000 ( 660 PWs) bands (ev): -46.9705 -46.9705 -21.4269 -21.3940 -20.6745 -20.6305 -20.4161 -20.4083 2.6927 2.7154 10.9456 10.9525 13.3664 13.3947 13.9838 13.9902 16.9650 16.9859 18.4530 18.4767 18.9597 18.9657 20.1571 20.1807 22.3900 22.4132 k = 0.2424 0.4199-0.0000 ( 660 PWs) bands (ev): -46.9719 -46.9719 -21.4231 -21.3913 -20.6688 -20.6263 -20.4146 -20.4072 2.6535 2.6754 10.9534 10.9596 13.4411 13.4693 13.9985 14.0048 16.9001 16.9201 18.4801 18.5034 18.9767 18.9824 20.1910 20.2137 22.3494 22.3724 k = 0.2381 0.4124-0.0000 ( 656 PWs) bands (ev): -46.9733 -46.9733 -21.4191 -21.3884 -20.6629 -20.6219 -20.4131 -20.4061 2.6125 2.6336 10.9652 10.9708 13.5148 13.5428 14.0145 14.0206 16.8353 16.8546 18.5076 18.5306 18.9952 19.0005 20.2223 20.2442 22.3072 22.3299 k = 0.2338 0.4049-0.0000 ( 656 PWs) bands (ev): -46.9748 -46.9748 -21.4149 -21.3852 -20.6568 -20.6174 -20.4115 -20.4049 2.5699 2.5901 10.9810 10.9859 13.5870 13.6149 14.0317 14.0377 16.7708 16.7893 18.5354 18.5581 19.0152 19.0202 20.2509 20.2720 22.2634 22.2859 k = 0.2294 0.3974-0.0000 ( 658 PWs) bands (ev): -46.9764 -46.9764 -21.4103 -21.3817 -20.6506 -20.6127 -20.4099 -20.4037 2.5257 2.5450 11.0006 11.0049 13.6578 13.6855 14.0502 14.0561 16.7066 16.7244 18.5634 18.5859 19.0368 19.0412 20.2767 20.2972 22.2181 22.2403 k = 0.2251 0.3899-0.0000 ( 662 PWs) bands (ev): -46.9780 -46.9780 -21.4056 -21.3781 -20.6442 -20.6079 -20.4083 -20.4024 2.4800 2.4984 11.0241 11.0278 13.7269 13.7543 14.0701 14.0758 16.6428 16.6600 18.5917 18.6138 19.0597 19.0637 20.3000 20.3199 22.1714 22.1933 k = 0.2208 0.3824-0.0000 ( 664 PWs) bands (ev): -46.9797 -46.9797 -21.4006 -21.3741 -20.6376 -20.6029 -20.4066 -20.4011 2.4329 2.4505 11.0514 11.0544 13.7940 13.8213 14.0913 14.0968 16.5795 16.5961 18.6199 18.6418 19.0842 19.0877 20.3209 20.3402 22.1232 22.1448 k = 0.2165 0.3749-0.0000 ( 664 PWs) bands (ev): -46.9815 -46.9815 -21.3953 -21.3700 -20.6309 -20.5977 -20.4049 -20.3998 2.3845 2.4013 11.0823 11.0847 13.8591 13.8861 14.1138 14.1192 16.5170 16.5330 18.6483 18.6698 19.1102 19.1132 20.3395 20.3582 22.0736 22.0949 k = 0.2121 0.3674-0.0000 ( 664 PWs) bands (ev): -46.9833 -46.9833 -21.3899 -21.3656 -20.6240 -20.5924 -20.4032 -20.3985 2.3350 2.3509 11.1169 11.1187 13.9218 13.9487 14.1377 14.1430 16.4551 16.4705 18.6765 18.6977 19.1376 19.1400 20.3560 20.3742 22.0227 22.0437 k = 0.2078 0.3599-0.0000 ( 664 PWs) bands (ev): -46.9852 -46.9852 -21.3842 -21.3610 -20.6171 -20.5870 -20.4014 -20.3971 2.2844 2.2994 11.1549 11.1561 13.9821 14.0087 14.1630 14.1682 16.3941 16.4090 18.7047 18.7256 19.1664 19.1682 20.3706 20.3883 21.9704 21.9911 k = 0.2035 0.3524-0.0000 ( 664 PWs) bands (ev): -46.9871 -46.9871 -21.3784 -21.3562 -20.6099 -20.5815 -20.3997 -20.3958 2.2328 2.2470 11.1964 11.1970 14.0398 14.0661 14.1897 14.1947 16.3340 16.3483 18.7326 18.7532 19.1966 19.1978 20.3834 20.4007 21.9169 21.9373 k = 0.1991 0.3449-0.0000 ( 664 PWs) bands (ev): -46.9890 -46.9890 -21.3724 -21.3513 -20.6027 -20.5758 -20.3979 -20.3943 2.1803 2.1938 11.2411 11.2412 14.0945 14.1205 14.2178 14.2227 16.2748 16.2887 18.7604 18.7806 19.2281 19.2287 20.3947 20.4116 21.8622 21.8822 k = 0.1948 0.3374-0.0000 ( 664 PWs) bands (ev): -46.9910 -46.9910 -21.3662 -21.3461 -20.5954 -20.5699 -20.3960 -20.3929 2.1271 2.1398 11.2886 11.2891 14.1462 14.1719 14.2473 14.2521 16.2168 16.2301 18.7878 18.8077 19.2609 19.2609 20.4048 20.4213 21.8063 21.8260 k = 0.1905 0.3299-0.0000 ( 662 PWs) bands (ev): -46.9931 -46.9931 -21.3599 -21.3408 -20.5879 -20.5640 -20.3942 -20.3914 2.0733 2.0852 11.3391 11.3400 14.1948 14.2200 14.2782 14.2829 16.1599 16.1728 18.8148 18.8344 19.2944 19.2950 20.4138 20.4301 21.7492 21.7686 k = 0.1861 0.3224-0.0000 ( 658 PWs) bands (ev): -46.9952 -46.9952 -21.3534 -21.3354 -20.5803 -20.5579 -20.3923 -20.3899 2.0189 2.0301 11.3925 11.3940 14.2399 14.2647 14.3105 14.3151 16.1043 16.1166 18.8415 18.8608 19.3292 19.3304 20.4221 20.4381 21.6911 21.7101 k = 0.1818 0.3149-0.0000 ( 662 PWs) bands (ev): -46.9973 -46.9973 -21.3469 -21.3298 -20.5726 -20.5517 -20.3904 -20.3884 1.9642 1.9747 11.4488 11.4507 14.2815 14.3058 14.3441 14.3487 16.0500 16.0618 18.8677 18.8867 19.3651 19.3669 20.4297 20.4455 21.6319 21.6506 k = 0.1775 0.3074-0.0000 ( 660 PWs) bands (ev): -46.9994 -46.9994 -21.3402 -21.3242 -20.5648 -20.5453 -20.3885 -20.3868 1.9091 1.9189 11.5078 11.5102 14.3195 14.3434 14.3791 14.3835 15.9970 16.0084 18.8935 18.9120 19.4022 19.4046 20.4372 20.4527 21.5717 21.5901 k = 0.1732 0.2999-0.0000 ( 660 PWs) bands (ev): -47.0016 -47.0016 -21.3335 -21.3184 -20.5570 -20.5389 -20.3866 -20.3853 1.8538 1.8630 11.5694 11.5722 14.3538 14.3772 14.4153 14.4196 15.9455 15.9564 18.9186 18.9369 19.4404 19.4435 20.4445 20.4598 21.5106 21.5286 k = 0.1688 0.2924-0.0000 ( 660 PWs) bands (ev): -47.0038 -47.0038 -21.3268 -21.3126 -20.5490 -20.5323 -20.3846 -20.3836 1.7985 1.8070 11.6335 11.6366 14.3843 14.4072 14.4528 14.4569 15.8955 15.9059 18.9432 18.9611 19.4797 19.4834 20.4520 20.4671 21.4485 21.4662 k = 0.1645 0.2849-0.0000 ( 660 PWs) bands (ev): -47.0060 -47.0060 -21.3200 -21.3068 -20.5410 -20.5256 -20.3826 -20.3820 1.7432 1.7511 11.6998 11.7033 14.4109 14.4333 14.4915 14.4954 15.8470 15.8569 18.9673 18.9848 19.5201 19.5244 20.4598 20.4747 21.3857 21.4030 k = 0.1602 0.2774-0.0000 ( 660 PWs) bands (ev): -47.0083 -47.0083 -21.3133 -21.3009 -20.5329 -20.5188 -20.3806 -20.3803 1.6880 1.6953 11.7684 11.7722 14.4336 14.4555 14.5315 14.5351 15.8001 15.8094 18.9906 19.0078 19.5616 19.5664 20.4680 20.4828 21.3220 21.3390 k = 0.1558 0.2699-0.0000 ( 664 PWs) bands (ev): -47.0105 -47.0105 -21.3065 -21.2950 -20.5248 -20.5120 -20.3786 -20.3786 1.6330 1.6398 11.8390 11.8431 14.4523 14.4736 14.5727 14.5761 15.7547 15.7635 19.0134 19.0302 19.6040 19.6094 20.4769 20.4915 21.2576 21.2742 k = 0.1515 0.2624-0.0000 ( 664 PWs) bands (ev): -47.0128 -47.0128 -21.2998 -21.2891 -20.5166 -20.5050 -20.3769 -20.3765 1.5783 1.5846 11.9114 11.9158 14.4672 14.4878 14.6150 14.6183 15.7109 15.7192 19.0354 19.0519 19.6473 19.6533 20.4865 20.5009 21.1925 21.2088 k = 0.1472 0.2549-0.0000 ( 664 PWs) bands (ev): -47.0150 -47.0150 -21.2931 -21.2832 -20.5085 -20.4980 -20.3751 -20.3745 1.5241 1.5299 11.9857 11.9903 14.4784 14.4982 14.6585 14.6616 15.6687 15.6763 19.0568 19.0728 19.6916 19.6981 20.4969 20.5112 21.1269 21.1428 k = 0.1429 0.2474-0.0000 ( 660 PWs) bands (ev): -47.0172 -47.0172 -21.2865 -21.2774 -20.5003 -20.4910 -20.3732 -20.3723 1.4704 1.4757 12.0615 12.0663 14.4858 14.5049 14.7031 14.7061 15.6279 15.6350 19.0775 19.0931 19.7367 19.7436 20.5082 20.5223 21.0607 21.0763 k = 0.1385 0.2399-0.0000 ( 660 PWs) bands (ev): -47.0195 -47.0195 -21.2800 -21.2717 -20.4921 -20.4839 -20.3713 -20.3702 1.4173 1.4221 12.1387 12.1437 14.4897 14.5080 14.7487 14.7515 15.5886 15.5951 19.0974 19.1127 19.7826 19.7899 20.5205 20.5344 20.9940 21.0093 k = 0.1342 0.2324-0.0000 ( 660 PWs) bands (ev): -47.0217 -47.0217 -21.2736 -21.2660 -20.4840 -20.4768 -20.3694 -20.3680 1.3649 1.3693 12.2172 12.2223 14.4903 14.5078 14.7953 14.7980 15.5507 15.5566 19.1166 19.1315 19.8292 19.8369 20.5336 20.5473 20.9269 20.9419 k = 0.1299 0.2249-0.0000 ( 659 PWs) bands (ev): -47.0239 -47.0239 -21.2674 -21.2604 -20.4759 -20.4697 -20.3673 -20.3657 1.3132 1.3172 12.2968 12.3021 14.4879 14.5044 14.8427 14.8453 15.5140 15.5194 19.1351 19.1495 19.8764 19.8845 20.5477 20.5610 20.8595 20.8743 k = 0.1255 0.2174-0.0000 ( 663 PWs) bands (ev): -47.0261 -47.0261 -21.2613 -21.2549 -20.4680 -20.4627 -20.3652 -20.3634 1.2625 1.2661 12.3773 12.3827 14.4826 14.4983 14.8910 14.8934 15.4784 15.4833 19.1528 19.1668 19.9242 19.9326 20.5627 20.5754 20.7919 20.8066 k = 0.1212 0.2099-0.0000 ( 663 PWs) bands (ev): -47.0283 -47.0283 -21.2553 -21.2496 -20.4601 -20.4557 -20.3630 -20.3609 1.2126 1.2159 12.4586 12.4640 14.4747 14.4895 14.9401 14.9423 15.4440 15.4483 19.1698 19.1834 19.9724 19.9811 20.5784 20.5902 20.7242 20.7393 k = 0.1169 0.2024-0.0000 ( 663 PWs) bands (ev): -47.0304 -47.0304 -21.2495 -21.2443 -20.4525 -20.4489 -20.3607 -20.3584 1.1638 1.1668 12.5404 12.5459 14.4645 14.4785 14.9898 14.9919 15.4105 15.4143 19.1860 19.1992 20.0210 20.0299 20.5944 20.6035 20.6569 20.6740 k = 0.1126 0.1949-0.0000 ( 667 PWs) bands (ev): -47.0326 -47.0326 -21.2439 -21.2392 -20.4450 -20.4422 -20.3582 -20.3558 1.1161 1.1188 12.6226 12.6282 14.4524 14.4656 15.0400 15.0421 15.3779 15.3813 19.2015 19.2143 20.0699 20.0789 20.5857 20.5903 20.6151 20.6360 k = 0.1082 0.1875-0.0000 ( 663 PWs) bands (ev): -47.0346 -47.0346 -21.2384 -21.2343 -20.4378 -20.4356 -20.3556 -20.3531 1.0696 1.0720 12.7050 12.7106 14.4386 14.4510 15.0907 15.0927 15.3461 15.3491 19.2163 19.2286 20.1189 20.1280 20.5198 20.5292 20.6312 20.6468 k = 0.1039 0.1800-0.0000 ( 659 PWs) bands (ev): -47.0366 -47.0366 -21.2332 -21.2295 -20.4309 -20.4293 -20.3528 -20.3502 1.0243 1.0264 12.7874 12.7929 14.4234 14.4350 15.1418 15.1437 15.3150 15.3177 19.2304 19.2423 20.1679 20.1772 20.4527 20.4628 20.6494 20.6635 k = 0.0996 0.1725-0.0000 ( 659 PWs) bands (ev): -47.0386 -47.0386 -21.2282 -21.2249 -20.4243 -20.4233 -20.3498 -20.3471 0.9804 0.9822 12.8696 12.8751 14.4071 14.4179 15.1929 15.1949 15.2846 15.2871 19.2438 19.2552 20.2166 20.2260 20.3859 20.3962 20.6680 20.6814 k = 0.0952 0.1650-0.0000 ( 659 PWs) bands (ev): -47.0405 -47.0405 -21.2233 -21.2205 -20.4181 -20.4176 -20.3466 -20.3439 0.9378 0.9394 12.9513 12.9567 14.3898 14.3999 15.2418 15.2455 15.2555 15.2596 19.2564 19.2674 20.2639 20.2736 20.3206 20.3310 20.6870 20.6997 k = 0.0909 0.1575-0.0000 ( 659 PWs) bands (ev): -47.0424 -47.0424 -21.2187 -21.2163 -20.4124 -20.4122 -20.3431 -20.3405 0.8967 0.8981 13.0324 13.0377 14.3720 14.3814 15.2253 15.2263 15.2971 15.2978 19.2684 19.2789 20.2519 20.2596 20.3177 20.3247 20.7061 20.7183 k = 0.0866 0.1500-0.0000 ( 659 PWs) bands (ev): -47.0442 -47.0442 -21.2143 -21.2122 -20.4071 -20.4071 -20.3394 -20.3369 0.8570 0.8582 13.1125 13.1178 14.3537 14.3625 15.1967 15.1977 15.3480 15.3490 19.2797 19.2897 20.1875 20.1960 20.3638 20.3719 20.7253 20.7369 k = 0.0823 0.1425-0.0000 ( 659 PWs) bands (ev): -47.0460 -47.0460 -21.2102 -21.2083 -20.4025 -20.4022 -20.3354 -20.3331 0.8189 0.8200 13.1916 13.1967 14.3353 14.3434 15.1685 15.1695 15.3990 15.3999 19.2903 19.2998 20.1235 20.1319 20.4107 20.4189 20.7443 20.7554 k = 0.0779 0.1350-0.0000 ( 663 PWs) bands (ev): -47.0477 -47.0477 -21.2062 -21.2047 -20.3983 -20.3979 -20.3313 -20.3291 0.7825 0.7834 13.2693 13.2743 14.3168 14.3244 15.1410 15.1418 15.4494 15.4503 19.3002 19.3093 20.0606 20.0687 20.4571 20.4652 20.7631 20.7737 k = 0.0736 0.1275-0.0000 ( 659 PWs) bands (ev): -47.0493 -47.0493 -21.2025 -21.2012 -20.3944 -20.3940 -20.3270 -20.3250 0.7477 0.7484 13.3455 13.3503 14.2986 14.3056 15.1140 15.1147 15.4993 15.5000 19.3095 19.3181 19.9990 20.0068 20.5026 20.5105 20.7817 20.7916 k = 0.0693 0.1200-0.0000 ( 659 PWs) bands (ev): -47.0508 -47.0508 -21.1990 -21.1979 -20.3910 -20.3905 -20.3225 -20.3208 0.7146 0.7152 13.4198 13.4244 14.2807 14.2871 15.0877 15.0883 15.5483 15.5489 19.3182 19.3263 19.9389 19.9463 20.5470 20.5546 20.7997 20.8091 k = 0.0649 0.1125-0.0000 ( 659 PWs) bands (ev): -47.0523 -47.0523 -21.1957 -21.1948 -20.3879 -20.3874 -20.3180 -20.3165 0.6833 0.6838 13.4920 13.4964 14.2632 14.2692 15.0621 15.0625 15.5962 15.5968 19.3263 19.3339 19.8805 19.8876 20.5902 20.5974 20.8172 20.8260 k = 0.0606 0.1050-0.0000 ( 659 PWs) bands (ev): -47.0537 -47.0537 -21.1927 -21.1920 -20.3851 -20.3847 -20.3135 -20.3122 0.6538 0.6542 13.5618 13.5660 14.2464 14.2519 15.0371 15.0375 15.6428 15.6433 19.3338 19.3409 19.8242 19.8308 20.6318 20.6388 20.8341 20.8423 k = 0.0563 0.0975-0.0000 ( 659 PWs) bands (ev): -47.0550 -47.0550 -21.1899 -21.1893 -20.3827 -20.3823 -20.3091 -20.3080 0.6261 0.6265 13.6290 13.6329 14.2303 14.2353 15.0130 15.0133 15.6879 15.6883 19.3407 19.3473 19.7700 19.7763 20.6718 20.6784 20.8503 20.8579 k = 0.0519 0.0900-0.0000 ( 659 PWs) bands (ev): -47.0562 -47.0562 -21.1873 -21.1868 -20.3805 -20.3802 -20.3047 -20.3039 0.6004 0.6006 13.6933 13.6970 14.2150 14.2196 14.9896 14.9899 15.7312 15.7316 19.3470 19.3531 19.7184 19.7242 20.7100 20.7161 20.8656 20.8726 k = 0.0476 0.0825-0.0000 ( 659 PWs) bands (ev): -47.0573 -47.0573 -21.1849 -21.1845 -20.3787 -20.3784 -20.3006 -20.2999 0.5765 0.5767 13.7544 13.7578 14.2007 14.2048 14.9671 14.9674 15.7725 15.7728 19.3528 19.3584 19.6695 19.6748 20.7462 20.7518 20.8801 20.8865 k = 0.0433 0.0750-0.0000 ( 659 PWs) bands (ev): -47.0584 -47.0584 -21.1827 -21.1825 -20.3770 -20.3768 -20.2966 -20.2961 0.5546 0.5548 13.8120 13.8152 14.1874 14.1911 14.9457 14.9458 15.8115 15.8117 19.3579 19.3630 19.6236 19.6285 20.7801 20.7853 20.8937 20.8994 k = 0.0390 0.0675-0.0000 ( 655 PWs) bands (ev): -47.0593 -47.0593 -21.1808 -21.1806 -20.3756 -20.3754 -20.2929 -20.2926 0.5347 0.5348 13.8658 13.8688 14.1751 14.1784 14.9253 14.9254 15.8479 15.8481 19.3626 19.3672 19.5811 19.5855 20.8115 20.8162 20.9062 20.9113 k = 0.0346 0.0600-0.0000 ( 659 PWs) bands (ev): -47.0602 -47.0602 -21.1790 -21.1789 -20.3743 -20.3742 -20.2895 -20.2893 0.5169 0.5169 13.9155 13.9182 14.1640 14.1669 14.9061 14.9062 15.8814 15.8815 19.3666 19.3706 19.5421 19.5461 20.8402 20.8444 20.9178 20.9222 k = 0.0303 0.0525-0.0000 ( 659 PWs) bands (ev): -47.0610 -47.0610 -21.1775 -21.1774 -20.3733 -20.3732 -20.2865 -20.2863 0.5010 0.5011 13.9608 13.9631 14.1541 14.1567 14.8882 14.8883 15.9118 15.9119 19.3700 19.3735 19.5072 19.5106 20.8660 20.8696 20.9283 20.9321 k = 0.0260 0.0450-0.0000 ( 663 PWs) bands (ev): -47.0616 -47.0616 -21.1762 -21.1762 -20.3724 -20.3723 -20.2838 -20.2837 0.4873 0.4873 14.0012 14.0033 14.1455 14.1476 14.8720 14.8720 15.9388 15.9388 19.3727 19.3756 19.4766 19.4794 20.8887 20.8916 20.9379 20.9409 k = 0.0216 0.0375-0.0000 ( 661 PWs) bands (ev): -47.0622 -47.0622 -21.1751 -21.1751 -20.3716 -20.3716 -20.2815 -20.2814 0.4756 0.4756 14.0365 14.0382 14.1382 14.1399 14.8575 14.8575 15.9621 15.9621 19.3745 19.3769 19.4507 19.4530 20.9079 20.9100 20.9466 20.9489 k = 0.0173 0.0300-0.0000 ( 659 PWs) bands (ev): -47.0626 -47.0626 -21.1742 -21.1742 -20.3710 -20.3710 -20.2795 -20.2795 0.4660 0.4660 14.0661 14.0674 14.1322 14.1336 14.8451 14.8451 15.9815 15.9816 19.3753 19.3770 19.4301 19.4318 20.9233 20.9247 20.9545 20.9559 k = 0.0130 0.0225-0.0000 ( 659 PWs) bands (ev): -47.0630 -47.0630 -21.1735 -21.1735 -20.3706 -20.3706 -20.2780 -20.2780 0.4585 0.4585 14.0895 14.0905 14.1277 14.1288 14.8350 14.8350 15.9969 15.9969 19.3746 19.3756 19.4153 19.4162 20.9347 20.9354 20.9615 20.9622 k = 0.0087 0.0150-0.0000 ( 659 PWs) bands (ev): -47.0633 -47.0633 -21.1730 -21.1730 -20.3703 -20.3703 -20.2770 -20.2770 0.4532 0.4532 14.1063 14.1069 14.1250 14.1256 14.8275 14.8275 16.0080 16.0080 19.3725 19.3728 19.4064 19.4067 20.9423 20.9425 20.9671 20.9673 k = 0.0043 0.0075-0.0000 ( 659 PWs) bands (ev): -47.0634 -47.0634 -21.1727 -21.1727 -20.3701 -20.3701 -20.2763 -20.2763 0.4500 0.4500 14.1153 14.1155 14.1247 14.1249 14.8230 14.8230 16.0147 16.0147 19.3700 19.3700 19.4021 19.4021 20.9465 20.9466 20.9707 20.9708 k = 0.0000 0.0000 0.0000 ( 659 PWs) bands (ev): -47.0635 -47.0635 -21.1726 -21.1726 -20.3700 -20.3700 -20.2761 -20.2761 0.4489 0.4489 14.1173 14.1173 14.1257 14.1257 14.8214 14.8214 16.0169 16.0169 19.3689 19.3689 19.4009 19.4009 20.9479 20.9479 20.9720 20.9720 k = 0.0000 0.0000 0.0000 ( 659 PWs) bands (ev): -47.0635 -47.0635 -21.1726 -21.1726 -20.3700 -20.3700 -20.2761 -20.2761 0.4489 0.4489 14.1173 14.1173 14.1257 14.1257 14.8214 14.8214 16.0169 16.0169 19.3689 19.3689 19.4009 19.4009 20.9479 20.9479 20.9720 20.9720 k = 0.0000 0.0000 0.0086 ( 659 PWs) bands (ev): -47.0634 -47.0634 -21.1728 -21.1728 -20.3702 -20.3702 -20.2761 -20.2761 0.4501 0.4501 14.1176 14.1181 14.1263 14.1263 14.8142 14.8142 16.0224 16.0224 19.3657 19.3657 19.3951 19.3999 20.9473 20.9520 20.9737 20.9737 k = 0.0000 0.0000 0.0173 ( 659 PWs) bands (ev): -47.0633 -47.0633 -21.1732 -21.1732 -20.3710 -20.3710 -20.2759 -20.2759 0.4538 0.4538 14.1192 14.1202 14.1281 14.1281 14.7930 14.7930 16.0384 16.0384 19.3561 19.3561 19.3828 19.3922 20.9503 20.9596 20.9786 20.9786 k = 0.0000 0.0000 0.0259 ( 659 PWs) bands (ev): -47.0630 -47.0630 -21.1740 -21.1740 -20.3722 -20.3722 -20.2757 -20.2757 0.4599 0.4599 14.1219 14.1235 14.1311 14.1311 14.7588 14.7588 16.0642 16.0642 19.3402 19.3402 19.3642 19.3780 20.9568 20.9704 20.9867 20.9867 k = 0.0000 0.0000 0.0346 ( 659 PWs) bands (ev): -47.0627 -47.0627 -21.1751 -21.1751 -20.3739 -20.3739 -20.2755 -20.2755 0.4684 0.4684 14.1259 14.1279 14.1353 14.1353 14.7129 14.7129 16.0983 16.0983 19.3185 19.3185 19.3395 19.3575 20.9663 20.9840 20.9976 20.9976 k = 0.0000 0.0000 0.0432 ( 665 PWs) bands (ev): -47.0622 -47.0622 -21.1765 -21.1765 -20.3761 -20.3761 -20.2751 -20.2751 0.4794 0.4794 14.1310 14.1336 14.1406 14.1406 14.6567 14.6567 16.1395 16.1395 19.2913 19.2913 19.3093 19.3312 20.9786 21.0000 21.0108 21.0108 k = 0.0000 0.0000 0.0519 ( 665 PWs) bands (ev): -47.0617 -47.0617 -21.1782 -21.1782 -20.3787 -20.3787 -20.2747 -20.2747 0.4928 0.4928 14.1373 14.1404 14.1471 14.1471 14.5916 14.5916 16.1865 16.1865 19.2590 19.2590 19.2741 19.2995 20.9931 21.0180 21.0261 21.0261 k = 0.0000 0.0000 0.0605 ( 665 PWs) bands (ev): -47.0610 -47.0610 -21.1803 -21.1803 -20.3818 -20.3818 -20.2742 -20.2742 0.5085 0.5085 14.1448 14.1484 14.1547 14.1547 14.5189 14.5189 16.2382 16.2382 19.2222 19.2222 19.2345 19.2630 21.0095 21.0374 21.0429 21.0429 k = 0.0000 0.0000 0.0692 ( 659 PWs) bands (ev): -47.0603 -47.0603 -21.1826 -21.1826 -20.3853 -20.3853 -20.2736 -20.2736 0.5266 0.5266 14.1534 14.1575 14.1635 14.1635 14.4396 14.4396 16.2938 16.2938 19.1814 19.1814 19.1909 19.2223 21.0271 21.0578 21.0608 21.0608 k = 0.0000 0.0000 0.0778 ( 659 PWs) bands (ev): -47.0594 -47.0594 -21.1853 -21.1853 -20.3892 -20.3892 -20.2730 -20.2730 0.5471 0.5471 14.1632 14.1678 14.1733 14.1733 14.3545 14.3545 16.3524 16.3524 19.1369 19.1369 19.1438 19.1777 21.0455 21.0786 21.0792 21.0792 k = 0.0000 0.0000 0.0864 ( 659 PWs) bands (ev): -47.0585 -47.0585 -21.1883 -21.1883 -20.3934 -20.3934 -20.2723 -20.2723 0.5698 0.5698 14.1740 14.1791 14.1841 14.1841 14.2645 14.2645 16.4138 16.4138 19.0894 19.0894 19.0937 19.1299 21.0643 21.0979 21.0979 21.0994 k = 0.0000 0.0000 0.0951 ( 659 PWs) bands (ev): -47.0575 -47.0575 -21.1917 -21.1917 -20.3980 -20.3980 -20.2715 -20.2715 0.5948 0.5948 14.1681 14.1681 14.1859 14.1916 14.1978 14.1978 16.4774 16.4774 19.0392 19.0392 19.0410 19.0792 21.0829 21.1163 21.1163 21.1199 k = 0.0000 0.0000 0.1037 ( 659 PWs) bands (ev): -47.0564 -47.0564 -21.1954 -21.1954 -20.4029 -20.4029 -20.2707 -20.2707 0.6221 0.6221 14.0703 14.0703 14.1989 14.2051 14.2099 14.2099 16.5431 16.5431 18.9863 18.9868 18.9868 19.0262 21.1011 21.1342 21.1342 21.1396 k = 0.0000 0.0000 0.1124 ( 659 PWs) bands (ev): -47.0552 -47.0552 -21.1995 -21.1995 -20.4082 -20.4082 -20.2698 -20.2698 0.6515 0.6515 13.9680 13.9680 14.2129 14.2196 14.2239 14.2239 16.6105 16.6105 18.9298 18.9325 18.9325 18.9713 21.1185 21.1511 21.1511 21.1583 k = 0.0000 0.0000 0.1210 ( 659 PWs) bands (ev): -47.0540 -47.0540 -21.2038 -21.2038 -20.4136 -20.4136 -20.2688 -20.2688 0.6831 0.6831 13.8623 13.8623 14.2279 14.2351 14.2390 14.2390 16.6797 16.6797 18.8719 18.8768 18.8768 18.9148 21.1347 21.1668 21.1668 21.1757 k = 0.0000 0.0000 0.1297 ( 659 PWs) bands (ev): -47.0526 -47.0526 -21.2086 -21.2086 -20.4193 -20.4193 -20.2678 -20.2678 0.7168 0.7168 13.7536 13.7536 14.2438 14.2516 14.2550 14.2550 16.7504 16.7504 18.8129 18.8199 18.8199 18.8571 21.1495 21.1811 21.1811 21.1915 k = 0.0000 0.0000 0.1383 ( 647 PWs) bands (ev): -47.0512 -47.0512 -21.2137 -21.2137 -20.4252 -20.4252 -20.2667 -20.2667 0.7526 0.7526 13.6423 13.6423 14.2607 14.2691 14.2719 14.2719 16.8227 16.8227 18.7532 18.7622 18.7622 18.7985 21.1628 21.1938 21.1938 21.2056 k = 0.0000 0.0000 0.1470 ( 647 PWs) bands (ev): -47.0497 -47.0497 -21.2191 -21.2191 -20.4313 -20.4313 -20.2656 -20.2656 0.7904 0.7904 13.5285 13.5285 14.2785 14.2873 14.2897 14.2897 16.8963 16.8963 18.6929 18.7038 18.7038 18.7392 21.1742 21.2046 21.2046 21.2177 k = 0.0000 0.0000 0.1556 ( 647 PWs) bands (ev): -47.0482 -47.0482 -21.2249 -21.2249 -20.4374 -20.4374 -20.2644 -20.2644 0.8300 0.8300 13.4126 13.4126 14.2970 14.3065 14.3082 14.3082 16.9714 16.9714 18.6324 18.6452 18.6452 18.6795 21.1837 21.2134 21.2134 21.2277 k = 0.0000 0.0000 0.1642 ( 647 PWs) bands (ev): -47.0466 -47.0466 -21.2311 -21.2311 -20.4437 -20.4437 -20.2632 -20.2632 0.8716 0.8716 13.2947 13.2947 14.3163 14.3263 14.3276 14.3276 17.0477 17.0477 18.5718 18.5865 18.5865 18.6198 21.1911 21.2200 21.2200 21.2355 k = 0.0000 0.0000 0.1729 ( 647 PWs) bands (ev): -47.0449 -47.0449 -21.2376 -21.2376 -20.4500 -20.4500 -20.2620 -20.2620 0.9150 0.9150 13.1752 13.1752 14.3364 14.3469 14.3476 14.3476 17.1254 17.1254 18.5114 18.5280 18.5280 18.5601 21.1963 21.2245 21.2245 21.2410 k = 0.0000 0.0000 0.1815 ( 647 PWs) bands (ev): -47.0432 -47.0432 -21.2444 -21.2444 -20.4564 -20.4564 -20.2607 -20.2607 0.9601 0.9601 13.0542 13.0542 14.3571 14.3682 14.3683 14.3683 17.2043 17.2043 18.4514 18.4698 18.4698 18.5008 21.1992 21.2266 21.2266 21.2442 k = 0.0000 0.0000 0.1902 ( 641 PWs) bands (ev): -47.0414 -47.0414 -21.2516 -21.2516 -20.4627 -20.4627 -20.2593 -20.2593 1.0069 1.0069 12.9320 12.9320 14.3785 14.3896 14.3896 14.3901 17.2845 17.2845 18.3920 18.4122 18.4122 18.4419 21.1998 21.2264 21.2264 21.2449 k = 0.0000 0.0000 0.1988 ( 641 PWs) bands (ev): -47.0396 -47.0396 -21.2591 -21.2591 -20.4690 -20.4690 -20.2579 -20.2579 1.0553 1.0553 12.8087 12.8087 14.4004 14.4114 14.4114 14.4126 17.3656 17.3656 18.3333 18.3553 18.3553 18.3838 21.1980 21.2238 21.2238 21.2432 k = 0.0000 0.0000 0.2075 ( 653 PWs) bands (ev): -47.0378 -47.0378 -21.2669 -21.2669 -20.4753 -20.4753 -20.2565 -20.2565 1.1052 1.1052 12.6846 12.6846 14.4228 14.4336 14.4336 14.4355 17.4477 17.4477 18.2755 18.2993 18.2993 18.3264 21.1939 21.2188 21.2188 21.2390 k = 0.0000 0.0000 0.2161 ( 653 PWs) bands (ev): -47.0360 -47.0360 -21.2749 -21.2749 -20.4814 -20.4814 -20.2551 -20.2551 1.1565 1.1565 12.5600 12.5600 14.4456 14.4563 14.4563 14.4588 17.5307 17.5307 18.2188 18.2444 18.2444 18.2701 21.1874 21.2114 21.2114 21.2325 k = 0.0000 0.0000 0.2248 ( 653 PWs) bands (ev): -47.0341 -47.0341 -21.2833 -21.2833 -20.4875 -20.4875 -20.2537 -20.2537 1.2092 1.2092 12.4350 12.4350 14.4687 14.4792 14.4792 14.4825 17.6145 17.6145 18.1633 18.1908 18.1908 18.2150 21.1787 21.2017 21.2017 21.2236 k = 0.0000 0.0000 0.2334 ( 653 PWs) bands (ev): -47.0322 -47.0322 -21.2920 -21.2920 -20.4934 -20.4934 -20.2522 -20.2522 1.2631 1.2631 12.3098 12.3098 14.4921 14.5024 14.5024 14.5065 17.6990 17.6990 18.1091 18.1387 18.1387 18.1611 21.1677 21.1898 21.1898 21.2124 k = 0.0000 0.0000 0.2420 ( 653 PWs) bands (ev): -47.0302 -47.0302 -21.3008 -21.3008 -20.4992 -20.4992 -20.2507 -20.2507 1.3181 1.3181 12.1847 12.1847 14.5158 14.5258 14.5258 14.5306 17.7838 17.7838 18.0565 18.0883 18.0883 18.1087 21.1544 21.1756 21.1756 21.1989 k = 0.0000 0.0000 0.2507 ( 653 PWs) bands (ev): -47.0283 -47.0283 -21.3099 -21.3099 -20.5048 -20.5048 -20.2493 -20.2493 1.3742 1.3742 12.0598 12.0598 14.5395 14.5492 14.5492 14.5548 17.8683 17.8683 18.0055 18.0403 18.0403 18.0579 21.1391 21.1592 21.1592 21.1832 k = 0.0000 0.0000 0.2593 ( 653 PWs) bands (ev): -47.0263 -47.0263 -21.3192 -21.3192 -20.5102 -20.5102 -20.2478 -20.2478 1.4312 1.4312 11.9353 11.9353 14.5633 14.5727 14.5727 14.5791 17.9459 17.9459 17.9561 18.0013 18.0013 18.0087 21.1217 21.1407 21.1407 21.1655 k = 0.0000 0.0000 0.2680 ( 653 PWs) bands (ev): -47.0244 -47.0244 -21.3286 -21.3286 -20.5155 -20.5155 -20.2463 -20.2463 1.4890 1.4890 11.8116 11.8116 14.5871 14.5960 14.5960 14.6033 17.9087 17.9391 17.9391 17.9613 18.0489 18.0489 21.1024 21.1203 21.1203 21.1457 k = 0.0000 0.0000 0.2766 ( 653 PWs) bands (ev): -47.0224 -47.0224 -21.3382 -21.3382 -20.5205 -20.5205 -20.2448 -20.2448 1.5474 1.5474 11.6887 11.6887 14.6107 14.6192 14.6192 14.6273 17.8631 17.8979 17.8979 17.9157 18.1327 18.1327 21.0813 21.0981 21.0981 21.1241 k = 0.0000 0.0000 0.2853 ( 653 PWs) bands (ev): -47.0205 -47.0205 -21.3479 -21.3479 -20.5253 -20.5253 -20.2433 -20.2433 1.6065 1.6065 11.5668 11.5668 14.6341 14.6421 14.6421 14.6511 17.8196 17.8569 17.8569 17.8721 18.2183 18.2183 21.0585 21.0741 21.0741 21.1007 k = 0.0000 0.0000 0.2939 ( 647 PWs) bands (ev): -47.0186 -47.0186 -21.3576 -21.3576 -20.5299 -20.5299 -20.2419 -20.2419 1.6659 1.6659 11.4463 11.4463 14.6572 14.6647 14.6647 14.6745 17.7782 17.8176 17.8176 17.8305 18.3040 18.3040 21.0342 21.0486 21.0486 21.0758 k = 0.0000 0.0000 0.3026 ( 647 PWs) bands (ev): -47.0167 -47.0167 -21.3674 -21.3674 -20.5343 -20.5343 -20.2404 -20.2404 1.7256 1.7256 11.3273 11.3273 14.6800 14.6868 14.6868 14.6975 17.7390 17.7803 17.7803 17.7910 18.3893 18.3893 21.0085 21.0216 21.0216 21.0494 k = 0.0000 0.0000 0.3112 ( 647 PWs) bands (ev): -47.0148 -47.0148 -21.3771 -21.3771 -20.5385 -20.5385 -20.2390 -20.2390 1.7854 1.7854 11.2101 11.2101 14.7022 14.7084 14.7084 14.7200 17.7020 17.7451 17.7451 17.7536 18.4741 18.4741 20.9815 20.9933 20.9933 21.0217 k = 0.0000 0.0000 0.3198 ( 647 PWs) bands (ev): -47.0130 -47.0130 -21.3869 -21.3869 -20.5425 -20.5425 -20.2376 -20.2376 1.8452 1.8452 11.0948 11.0948 14.7240 14.7294 14.7294 14.7419 17.6673 17.7121 17.7121 17.7184 18.5579 18.5579 20.9535 20.9639 20.9639 20.9928 k = 0.0000 0.0000 0.3285 ( 647 PWs) bands (ev): -47.0111 -47.0111 -21.3965 -21.3965 -20.5462 -20.5462 -20.2362 -20.2362 1.9048 1.9048 10.9817 10.9817 14.7451 14.7498 14.7498 14.7631 17.6349 17.6814 17.6814 17.6854 18.6407 18.6407 20.9246 20.9336 20.9336 20.9630 k = 0.0000 0.0000 0.3371 ( 659 PWs) bands (ev): -47.0094 -47.0094 -21.4060 -21.4060 -20.5497 -20.5497 -20.2349 -20.2349 1.9639 1.9639 10.8709 10.8709 14.7655 14.7694 14.7694 14.7836 17.6048 17.6530 17.6530 17.6546 18.7221 18.7221 20.8949 20.9025 20.9025 20.9324 k = 0.0000 0.0000 0.3458 ( 659 PWs) bands (ev): -47.0077 -47.0077 -21.4154 -21.4154 -20.5530 -20.5530 -20.2335 -20.2335 2.0225 2.0225 10.7629 10.7629 14.7852 14.7882 14.7882 14.8032 17.5771 17.6260 17.6268 17.6268 18.8019 18.8019 20.8647 20.8709 20.8709 20.9012 k = 0.0000 0.0000 0.3544 ( 659 PWs) bands (ev): -47.0060 -47.0060 -21.4246 -21.4246 -20.5561 -20.5561 -20.2323 -20.2323 2.0804 2.0804 10.6577 10.6577 14.8041 14.8061 14.8061 14.8220 17.5517 17.5997 17.6030 17.6030 18.8800 18.8800 20.8342 20.8389 20.8389 20.8696 k = 0.0000 0.0000 0.3631 ( 659 PWs) bands (ev): -47.0044 -47.0044 -21.4336 -21.4336 -20.5589 -20.5589 -20.2310 -20.2310 2.1373 2.1373 10.5557 10.5557 14.8221 14.8232 14.8232 14.8398 17.5287 17.5755 17.5813 17.5813 18.9560 18.9560 20.8036 20.8068 20.8068 20.8378 k = 0.0000 0.0000 0.3717 ( 671 PWs) bands (ev): -47.0029 -47.0029 -21.4423 -21.4423 -20.5616 -20.5616 -20.2299 -20.2299 2.1930 2.1930 10.4571 10.4571 14.8392 14.8392 14.8392 14.8565 17.5079 17.5534 17.5618 17.5618 19.0297 19.0297 20.7730 20.7746 20.7746 20.8060 k = 0.0000 0.0000 0.3803 ( 671 PWs) bands (ev): -47.0014 -47.0014 -21.4507 -21.4507 -20.5641 -20.5641 -20.2287 -20.2287 2.2473 2.2473 10.3622 10.3622 14.8543 14.8543 14.8553 14.8723 17.4893 17.5334 17.5445 17.5445 19.1009 19.1009 20.7428 20.7428 20.7428 20.7744 k = 0.0000 0.0000 0.3890 ( 671 PWs) bands (ev): -47.0000 -47.0000 -21.4587 -21.4587 -20.5664 -20.5664 -20.2276 -20.2276 2.3000 2.3000 10.2712 10.2712 14.8685 14.8685 14.8705 14.8870 17.4730 17.5154 17.5292 17.5292 19.1693 19.1693 20.7114 20.7114 20.7131 20.7433 k = 0.0000 0.0000 0.3976 ( 671 PWs) bands (ev): -46.9986 -46.9986 -21.4665 -21.4665 -20.5685 -20.5685 -20.2266 -20.2266 2.3508 2.3508 10.1843 10.1843 14.8815 14.8815 14.8847 14.9006 17.4587 17.4992 17.5159 17.5159 19.2346 19.2346 20.6807 20.6807 20.6840 20.7128 k = 0.0000 0.0000 0.4063 ( 671 PWs) bands (ev): -46.9974 -46.9974 -21.4738 -21.4738 -20.5704 -20.5704 -20.2256 -20.2256 2.3995 2.3995 10.1019 10.1019 14.8936 14.8936 14.8979 14.9131 17.4464 17.4849 17.5043 17.5043 19.2967 19.2967 20.6509 20.6509 20.6559 20.6831 k = 0.0000 0.0000 0.4149 ( 671 PWs) bands (ev): -46.9962 -46.9962 -21.4807 -21.4807 -20.5722 -20.5722 -20.2247 -20.2247 2.4460 2.4460 10.0242 10.0242 14.9047 14.9047 14.9101 14.9245 17.4359 17.4723 17.4945 17.4945 19.3553 19.3553 20.6223 20.6223 20.6290 20.6545 k = 0.0000 0.0000 0.4236 ( 665 PWs) bands (ev): -46.9950 -46.9950 -21.4872 -21.4872 -20.5738 -20.5738 -20.2239 -20.2239 2.4898 2.4898 9.9515 9.9515 14.9147 14.9147 14.9213 14.9348 17.4271 17.4612 17.4863 17.4863 19.4101 19.4101 20.5950 20.5950 20.6034 20.6272 k = 0.0000 0.0000 0.4322 ( 659 PWs) bands (ev): -46.9940 -46.9940 -21.4932 -21.4932 -20.5752 -20.5752 -20.2231 -20.2231 2.5309 2.5309 9.8841 9.8841 14.9237 14.9237 14.9315 14.9441 17.4199 17.4515 17.4794 17.4794 19.4611 19.4611 20.5693 20.5693 20.5793 20.6013 k = 0.0000 0.0000 0.4409 ( 659 PWs) bands (ev): -46.9930 -46.9930 -21.4987 -21.4987 -20.5765 -20.5765 -20.2224 -20.2224 2.5689 2.5689 9.8221 9.8221 14.9318 14.9318 14.9407 14.9522 17.4142 17.4431 17.4738 17.4738 19.5078 19.5078 20.5452 20.5452 20.5570 20.5770 k = 0.0000 0.0000 0.4495 ( 659 PWs) bands (ev): -46.9922 -46.9922 -21.5036 -21.5036 -20.5776 -20.5776 -20.2217 -20.2217 2.6036 2.6036 9.7659 9.7659 14.9389 14.9389 14.9489 14.9593 17.4097 17.4359 17.4693 17.4693 19.5501 19.5501 20.5231 20.5231 20.5366 20.5546 k = 0.0000 0.0000 0.4581 ( 659 PWs) bands (ev): -46.9915 -46.9915 -21.5081 -21.5081 -20.5786 -20.5786 -20.2212 -20.2212 2.6348 2.6348 9.7156 9.7156 14.9451 14.9451 14.9562 14.9655 17.4064 17.4297 17.4657 17.4657 19.5879 19.5879 20.5032 20.5032 20.5182 20.5342 k = 0.0000 0.0000 0.4668 ( 659 PWs) bands (ev): -46.9908 -46.9908 -21.5119 -21.5119 -20.5795 -20.5795 -20.2207 -20.2207 2.6624 2.6624 9.6716 9.6716 14.9504 14.9504 14.9625 14.9706 17.4042 17.4243 17.4630 17.4630 19.6210 19.6210 20.4855 20.4855 20.5022 20.5161 k = 0.0000 0.0000 0.4754 ( 659 PWs) bands (ev): -46.9902 -46.9902 -21.5153 -21.5153 -20.5802 -20.5802 -20.2203 -20.2203 2.6860 2.6860 9.6340 9.6340 14.9548 14.9548 14.9679 14.9748 17.4028 17.4197 17.4609 17.4609 19.6493 19.6493 20.4703 20.4703 20.4885 20.5002 k = 0.0000 0.0000 0.4841 ( 659 PWs) bands (ev): -46.9898 -46.9898 -21.5180 -21.5180 -20.5808 -20.5808 -20.2199 -20.2199 2.7056 2.7056 9.6030 9.6030 14.9584 14.9584 14.9725 14.9780 17.4021 17.4158 17.4594 17.4594 19.6726 19.6726 20.4577 20.4577 20.4774 20.4868 k = 0.0000 0.0000 0.4927 ( 660 PWs) bands (ev): -46.9894 -46.9894 -21.5201 -21.5201 -20.5812 -20.5812 -20.2196 -20.2196 2.7210 2.7210 9.5786 9.5786 14.9611 14.9611 14.9762 14.9803 17.4021 17.4125 17.4584 17.4584 19.6908 19.6908 20.4477 20.4477 20.4689 20.4760 k = 0.0000 0.0000 0.5014 ( 660 PWs) bands (ev): -46.9892 -46.9892 -21.5216 -21.5216 -20.5815 -20.5815 -20.2194 -20.2194 2.7321 2.7321 9.5612 9.5612 14.9631 14.9631 14.9790 14.9818 17.4027 17.4096 17.4577 17.4577 19.7039 19.7039 20.4405 20.4405 20.4631 20.4679 k = 0.0000 0.0000 0.5100 ( 660 PWs) bands (ev): -46.9890 -46.9890 -21.5226 -21.5226 -20.5817 -20.5817 -20.2193 -20.2193 2.7387 2.7387 9.5507 9.5507 14.9643 14.9643 14.9810 14.9824 17.4038 17.4072 17.4573 17.4573 19.7118 19.7118 20.4362 20.4362 20.4601 20.4625 k = 0.0000 0.0000 0.5187 ( 660 PWs) bands (ev): -46.9890 -46.9890 -21.5229 -21.5229 -20.5818 -20.5818 -20.2193 -20.2193 2.7410 2.7410 9.5472 9.5472 14.9647 14.9647 14.9821 14.9821 17.4053 17.4053 17.4572 17.4572 19.7144 19.7144 20.4348 20.4348 20.4599 20.4599 k = 0.0000 0.0000 0.5187 ( 660 PWs) bands (ev): -46.9890 -46.9890 -21.5229 -21.5229 -20.5818 -20.5818 -20.2193 -20.2193 2.7410 2.7410 9.5472 9.5472 14.9647 14.9647 14.9821 14.9821 17.4053 17.4053 17.4572 17.4572 19.7144 19.7144 20.4348 20.4348 20.4599 20.4599 k = 0.0076 0.0044 0.5187 ( 660 PWs) bands (ev): -46.9889 -46.9889 -21.5228 -21.5228 -20.5819 -20.5819 -20.2195 -20.2195 2.7411 2.7411 9.5484 9.5484 14.9630 14.9630 14.9804 14.9804 17.4050 17.4050 17.4569 17.4569 19.7156 19.7156 20.4353 20.4353 20.4605 20.4605 k = 0.0152 0.0087 0.5187 ( 660 PWs) bands (ev): -46.9888 -46.9888 -21.5227 -21.5227 -20.5823 -20.5823 -20.2201 -20.2201 2.7415 2.7415 9.5522 9.5522 14.9581 14.9581 14.9755 14.9755 17.4036 17.4036 17.4567 17.4567 19.7191 19.7191 20.4360 20.4360 20.4632 20.4632 k = 0.0227 0.0131 0.5187 ( 660 PWs) bands (ev): -46.9885 -46.9885 -21.5226 -21.5226 -20.5829 -20.5829 -20.2211 -20.2211 2.7421 2.7421 9.5585 9.5585 14.9500 14.9500 14.9673 14.9673 17.3998 17.3998 17.4577 17.4577 19.7249 19.7249 20.4351 20.4351 20.4698 20.4698 k = 0.0303 0.0175 0.5187 ( 660 PWs) bands (ev): -46.9882 -46.9882 -21.5224 -21.5224 -20.5839 -20.5839 -20.2224 -20.2224 2.7430 2.7430 9.5673 9.5673 14.9387 14.9387 14.9559 14.9559 17.3923 17.3923 17.4616 17.4616 19.7328 19.7328 20.4319 20.4319 20.4810 20.4810 k = 0.0379 0.0219 0.5187 ( 660 PWs) bands (ev): -46.9877 -46.9877 -21.5221 -21.5221 -20.5850 -20.5850 -20.2242 -20.2242 2.7441 2.7441 9.5786 9.5786 14.9241 14.9241 14.9413 14.9413 17.3805 17.3805 17.4689 17.4689 19.7429 19.7429 20.4266 20.4266 20.4966 20.4966 k = 0.0455 0.0262 0.5187 ( 660 PWs) bands (ev): -46.9872 -46.9872 -21.5218 -21.5218 -20.5865 -20.5865 -20.2263 -20.2263 2.7455 2.7455 9.5923 9.5923 14.9064 14.9064 14.9236 14.9236 17.3647 17.3647 17.4795 17.4795 19.7550 19.7550 20.4196 20.4196 20.5163 20.5163 k = 0.0530 0.0306 0.5187 ( 660 PWs) bands (ev): -46.9865 -46.9865 -21.5215 -21.5215 -20.5882 -20.5882 -20.2288 -20.2288 2.7471 2.7471 9.6084 9.6084 14.8855 14.8855 14.9029 14.9029 17.3455 17.3455 17.4932 17.4932 19.7689 19.7689 20.4115 20.4115 20.5396 20.5396 k = 0.0606 0.0350 0.5187 ( 662 PWs) bands (ev): -46.9858 -46.9858 -21.5211 -21.5211 -20.5901 -20.5901 -20.2317 -20.2317 2.7490 2.7490 9.6269 9.6269 14.8615 14.8615 14.8794 14.8794 17.3233 17.3233 17.5097 17.5097 19.7844 19.7844 20.4024 20.4024 20.5664 20.5664 k = 0.0682 0.0394 0.5187 ( 662 PWs) bands (ev): -46.9850 -46.9850 -21.5206 -21.5206 -20.5923 -20.5923 -20.2349 -20.2349 2.7511 2.7511 9.6477 9.6477 14.8343 14.8343 14.8532 14.8532 17.2985 17.2985 17.5287 17.5287 19.8014 19.8014 20.3926 20.3926 20.5963 20.5963 k = 0.0758 0.0437 0.5187 ( 662 PWs) bands (ev): -46.9841 -46.9841 -21.5201 -21.5201 -20.5948 -20.5948 -20.2384 -20.2384 2.7534 2.7534 9.6707 9.6707 14.8039 14.8039 14.8245 14.8245 17.2716 17.2716 17.5501 17.5501 19.8198 19.8198 20.3824 20.3824 20.6294 20.6294 k = 0.0833 0.0481 0.5187 ( 658 PWs) bands (ev): -46.9831 -46.9831 -21.5196 -21.5196 -20.5975 -20.5975 -20.2422 -20.2422 2.7561 2.7561 9.6959 9.6959 14.7703 14.7703 14.7936 14.7936 17.2428 17.2428 17.5739 17.5739 19.8393 19.8393 20.3720 20.3720 20.6652 20.6652 k = 0.0909 0.0525 0.5187 ( 654 PWs) bands (ev): -46.9820 -46.9820 -21.5190 -21.5190 -20.6005 -20.6005 -20.2463 -20.2463 2.7589 2.7589 9.7231 9.7231 14.7334 14.7334 14.7607 14.7607 17.2125 17.2125 17.6000 17.6000 19.8598 19.8598 20.3616 20.3616 20.7038 20.7038 k = 0.0985 0.0569 0.5187 ( 654 PWs) bands (ev): -46.9808 -46.9808 -21.5185 -21.5185 -20.6037 -20.6037 -20.2507 -20.2507 2.7620 2.7620 9.7525 9.7525 14.6934 14.6934 14.7258 14.7258 17.1810 17.1810 17.6283 17.6283 19.8811 19.8811 20.3514 20.3514 20.7448 20.7448 k = 0.1061 0.0612 0.5187 ( 654 PWs) bands (ev): -46.9795 -46.9795 -21.5179 -21.5179 -20.6071 -20.6071 -20.2554 -20.2554 2.7654 2.7654 9.7837 9.7837 14.6503 14.6503 14.6893 14.6893 17.1485 17.1485 17.6587 17.6587 19.9030 19.9030 20.3416 20.3416 20.7881 20.7881 k = 0.1136 0.0656 0.5187 ( 658 PWs) bands (ev): -46.9782 -46.9782 -21.5173 -21.5173 -20.6108 -20.6108 -20.2603 -20.2603 2.7690 2.7690 9.8168 9.8168 14.6042 14.6042 14.6511 14.6511 17.1154 17.1154 17.6911 17.6911 19.9255 19.9255 20.3325 20.3325 20.8335 20.8335 k = 0.1212 0.0700 0.5187 ( 660 PWs) bands (ev): -46.9768 -46.9768 -21.5166 -21.5166 -20.6147 -20.6147 -20.2654 -20.2654 2.7729 2.7729 9.8516 9.8516 14.5552 14.5552 14.6116 14.6116 17.0820 17.0820 17.7257 17.7257 19.9483 19.9483 20.3243 20.3243 20.8808 20.8808 k = 0.1288 0.0744 0.5187 ( 660 PWs) bands (ev): -46.9753 -46.9753 -21.5160 -21.5160 -20.6189 -20.6189 -20.2707 -20.2707 2.7770 2.7770 9.8880 9.8880 14.5035 14.5035 14.5707 14.5707 17.0486 17.0486 17.7623 17.7623 19.9715 19.9715 20.3170 20.3170 20.9298 20.9298 k = 0.1364 0.0787 0.5187 ( 660 PWs) bands (ev): -46.9738 -46.9738 -21.5154 -21.5154 -20.6232 -20.6232 -20.2761 -20.2761 2.7813 2.7813 9.9259 9.9259 14.4491 14.4491 14.5286 14.5286 17.0154 17.0154 17.8008 17.8008 19.9947 19.9947 20.3109 20.3109 20.9804 20.9804 k = 0.1439 0.0831 0.5187 ( 660 PWs) bands (ev): -46.9721 -46.9721 -21.5148 -21.5148 -20.6278 -20.6278 -20.2817 -20.2817 2.7859 2.7859 9.9652 9.9652 14.3923 14.3923 14.4856 14.4856 16.9826 16.9826 17.8412 17.8412 20.0180 20.0180 20.3062 20.3062 21.0323 21.0323 k = 0.1515 0.0875 0.5187 ( 660 PWs) bands (ev): -46.9705 -46.9705 -21.5142 -21.5142 -20.6326 -20.6326 -20.2875 -20.2875 2.7907 2.7907 10.0058 10.0058 14.3331 14.3331 14.4416 14.4416 16.9506 16.9506 17.8834 17.8834 20.0411 20.0411 20.3028 20.3028 21.0854 21.0854 k = 0.1591 0.0919 0.5187 ( 666 PWs) bands (ev): -46.9687 -46.9687 -21.5137 -21.5137 -20.6376 -20.6376 -20.2933 -20.2933 2.7957 2.7957 10.0474 10.0474 14.2717 14.2717 14.3970 14.3970 16.9195 16.9195 17.9274 17.9274 20.0641 20.0641 20.3009 20.3009 21.1395 21.1395 k = 0.1667 0.0962 0.5187 ( 666 PWs) bands (ev): -46.9669 -46.9669 -21.5131 -21.5131 -20.6428 -20.6428 -20.2992 -20.2992 2.8010 2.8010 10.0901 10.0901 14.2082 14.2082 14.3517 14.3517 16.8897 16.8897 17.9731 17.9731 20.0869 20.0869 20.3007 20.3007 21.1945 21.1945 k = 0.1742 0.1006 0.5187 ( 666 PWs) bands (ev): -46.9651 -46.9651 -21.5127 -21.5127 -20.6482 -20.6482 -20.3052 -20.3052 2.8065 2.8065 10.1335 10.1335 14.1429 14.1429 14.3060 14.3060 16.8614 16.8614 18.0204 18.0204 20.1093 20.1093 20.3022 20.3022 21.2501 21.2501 k = 0.1818 0.1050 0.5187 ( 666 PWs) bands (ev): -46.9632 -46.9632 -21.5122 -21.5122 -20.6537 -20.6537 -20.3112 -20.3112 2.8122 2.8122 10.1777 10.1777 14.0758 14.0758 14.2600 14.2600 16.8347 16.8347 18.0693 18.0693 20.1313 20.1313 20.3054 20.3054 21.3063 21.3063 k = 0.1894 0.1093 0.5187 ( 666 PWs) bands (ev): -46.9613 -46.9613 -21.5118 -21.5118 -20.6593 -20.6593 -20.3172 -20.3172 2.8181 2.8181 10.2223 10.2223 14.0072 14.0072 14.2137 14.2137 16.8100 16.8100 18.1196 18.1196 20.1528 20.1528 20.3103 20.3103 21.3628 21.3628 k = 0.1970 0.1137 0.5187 ( 666 PWs) bands (ev): -46.9593 -46.9593 -21.5115 -21.5115 -20.6652 -20.6652 -20.3233 -20.3233 2.8242 2.8242 10.2673 10.2673 13.9373 13.9373 14.1673 14.1673 16.7873 16.7873 18.1714 18.1714 20.1738 20.1738 20.3170 20.3170 21.4196 21.4196 k = 0.2045 0.1181 0.5187 ( 662 PWs) bands (ev): -46.9573 -46.9573 -21.5113 -21.5113 -20.6711 -20.6711 -20.3293 -20.3293 2.8306 2.8306 10.3125 10.3125 13.8661 13.8661 14.1210 14.1210 16.7670 16.7670 18.2245 18.2245 20.1943 20.1943 20.3254 20.3254 21.4764 21.4764 k = 0.2121 0.1225 0.5187 ( 662 PWs) bands (ev): -46.9552 -46.9552 -21.5111 -21.5111 -20.6771 -20.6771 -20.3353 -20.3353 2.8371 2.8371 10.3577 10.3577 13.7939 13.7939 14.0747 14.0747 16.7492 16.7492 18.2788 18.2788 20.2141 20.2141 20.3356 20.3356 21.5331 21.5331 k = 0.2197 0.1268 0.5187 ( 662 PWs) bands (ev): -46.9532 -46.9532 -21.5110 -21.5110 -20.6833 -20.6833 -20.3412 -20.3412 2.8438 2.8438 10.4028 10.4028 13.7209 13.7209 14.0287 14.0287 16.7340 16.7340 18.3342 18.3342 20.2333 20.2333 20.3473 20.3473 21.5897 21.5897 k = 0.2273 0.1312 0.5187 ( 664 PWs) bands (ev): -46.9511 -46.9511 -21.5110 -21.5110 -20.6895 -20.6895 -20.3470 -20.3470 2.8506 2.8506 10.4476 10.4476 13.6473 13.6473 13.9830 13.9830 16.7216 16.7216 18.3906 18.3906 20.2518 20.2518 20.3606 20.3606 21.6460 21.6460 k = 0.2348 0.1356 0.5187 ( 664 PWs) bands (ev): -46.9490 -46.9490 -21.5111 -21.5111 -20.6957 -20.6957 -20.3528 -20.3528 2.8576 2.8576 10.4919 10.4919 13.5732 13.5732 13.9377 13.9377 16.7122 16.7122 18.4480 18.4480 20.2697 20.2697 20.3755 20.3755 21.7018 21.7018 k = 0.2424 0.1400 0.5187 ( 668 PWs) bands (ev): -46.9469 -46.9469 -21.5112 -21.5112 -20.7020 -20.7020 -20.3585 -20.3585 2.8648 2.8648 10.5356 10.5356 13.4988 13.4988 13.8928 13.8928 16.7059 16.7059 18.5061 18.5061 20.2869 20.2869 20.3916 20.3916 21.7571 21.7571 k = 0.2500 0.1443 0.5187 ( 668 PWs) bands (ev): -46.9448 -46.9448 -21.5115 -21.5115 -20.7084 -20.7084 -20.3640 -20.3640 2.8721 2.8721 10.5785 10.5785 13.4243 13.4243 13.8485 13.8485 16.7028 16.7028 18.5650 18.5650 20.3034 20.3034 20.4092 20.4092 21.8117 21.8117 k = 0.2576 0.1487 0.5187 ( 664 PWs) bands (ev): -46.9427 -46.9427 -21.5119 -21.5119 -20.7147 -20.7147 -20.3695 -20.3695 2.8795 2.8795 10.6205 10.6205 13.3500 13.3500 13.8049 13.8049 16.7030 16.7030 18.6246 18.6246 20.3192 20.3192 20.4279 20.4279 21.8656 21.8656 k = 0.2652 0.1531 0.5187 ( 664 PWs) bands (ev): -46.9406 -46.9406 -21.5123 -21.5123 -20.7210 -20.7210 -20.3748 -20.3748 2.8870 2.8870 10.6615 10.6615 13.2759 13.2759 13.7620 13.7620 16.7066 16.7066 18.6845 18.6845 20.3342 20.3342 20.4478 20.4478 21.9187 21.9187 k = 0.2727 0.1575 0.5187 ( 664 PWs) bands (ev): -46.9385 -46.9385 -21.5129 -21.5129 -20.7272 -20.7272 -20.3800 -20.3800 2.8947 2.8947 10.7013 10.7013 13.2022 13.2022 13.7199 13.7199 16.7136 16.7136 18.7449 18.7449 20.3484 20.3484 20.4687 20.4687 21.9708 21.9708 k = 0.2803 0.1618 0.5187 ( 664 PWs) bands (ev): -46.9364 -46.9364 -21.5136 -21.5136 -20.7334 -20.7334 -20.3851 -20.3851 2.9023 2.9023 10.7398 10.7398 13.1292 13.1292 13.6787 13.6787 16.7241 16.7241 18.8054 18.8054 20.3616 20.3616 20.4906 20.4906 22.0219 22.0219 k = 0.2879 0.1662 0.5187 ( 664 PWs) bands (ev): -46.9343 -46.9343 -21.5143 -21.5143 -20.7396 -20.7396 -20.3900 -20.3900 2.9100 2.9100 10.7769 10.7769 13.0570 13.0570 13.6383 13.6383 16.7380 16.7380 18.8660 18.8660 20.3739 20.3739 20.5135 20.5135 22.0719 22.0719 k = 0.2955 0.1706 0.5187 ( 664 PWs) bands (ev): -46.9323 -46.9323 -21.5152 -21.5152 -20.7456 -20.7456 -20.3947 -20.3947 2.9178 2.9178 10.8125 10.8125 12.9857 12.9857 13.5989 13.5989 16.7553 16.7553 18.9266 18.9266 20.3852 20.3852 20.5371 20.5371 22.1208 22.1208 k = 0.3030 0.1750 0.5187 ( 664 PWs) bands (ev): -46.9303 -46.9303 -21.5161 -21.5161 -20.7515 -20.7515 -20.3993 -20.3993 2.9256 2.9256 10.8465 10.8465 12.9156 12.9156 13.5606 13.5606 16.7759 16.7759 18.9870 18.9870 20.3954 20.3954 20.5615 20.5615 22.1684 22.1684 k = 0.3106 0.1793 0.5187 ( 660 PWs) bands (ev): -46.9283 -46.9283 -21.5171 -21.5171 -20.7573 -20.7573 -20.4037 -20.4037 2.9333 2.9333 10.8789 10.8789 12.8467 12.8467 13.5233 13.5233 16.7999 16.7999 19.0470 19.0470 20.4046 20.4046 20.5864 20.5864 22.2147 22.2147 k = 0.3182 0.1837 0.5187 ( 660 PWs) bands (ev): -46.9263 -46.9263 -21.5183 -21.5183 -20.7629 -20.7629 -20.4079 -20.4079 2.9411 2.9411 10.9096 10.9096 12.7793 12.7793 13.4872 13.4872 16.8269 16.8269 19.1065 19.1065 20.4126 20.4126 20.6119 20.6119 22.2596 22.2596 k = 0.3258 0.1881 0.5187 ( 660 PWs) bands (ev): -46.9244 -46.9244 -21.5194 -21.5194 -20.7684 -20.7684 -20.4120 -20.4120 2.9487 2.9487 10.9386 10.9386 12.7134 12.7134 13.4522 13.4522 16.8570 16.8570 19.1654 19.1654 20.4196 20.4196 20.6377 20.6377 22.3030 22.3030 k = 0.3333 0.1925 0.5187 ( 656 PWs) bands (ev): -46.9225 -46.9225 -21.5207 -21.5207 -20.7737 -20.7737 -20.4159 -20.4159 2.9563 2.9563 10.9660 10.9660 12.6492 12.6492 13.4184 13.4184 16.8898 16.8898 19.2234 19.2234 20.4253 20.4253 20.6638 20.6638 22.3450 22.3450 k = 0.3409 0.1968 0.5187 ( 660 PWs) bands (ev): -46.9208 -46.9208 -21.5220 -21.5220 -20.7788 -20.7788 -20.4197 -20.4197 2.9638 2.9638 10.9915 10.9915 12.5869 12.5869 13.3858 13.3858 16.9252 16.9252 19.2805 19.2805 20.4300 20.4300 20.6899 20.6899 22.3853 22.3853 k = 0.3485 0.2012 0.5187 ( 660 PWs) bands (ev): -46.9190 -46.9190 -21.5234 -21.5234 -20.7837 -20.7837 -20.4233 -20.4233 2.9712 2.9712 11.0154 11.0154 12.5266 12.5266 13.3546 13.3546 16.9630 16.9630 19.3364 19.3364 20.4335 20.4335 20.7160 20.7160 22.4241 22.4241 k = 0.3561 0.2056 0.5187 ( 660 PWs) bands (ev): -46.9173 -46.9173 -21.5248 -21.5248 -20.7885 -20.7885 -20.4266 -20.4266 2.9784 2.9784 11.0375 11.0375 12.4683 12.4683 13.3247 13.3247 17.0028 17.0028 19.3910 19.3910 20.4360 20.4360 20.7419 20.7419 22.4613 22.4613 k = 0.3636 0.2099 0.5187 ( 660 PWs) bands (ev): -46.9157 -46.9157 -21.5262 -21.5262 -20.7930 -20.7930 -20.4299 -20.4299 2.9855 2.9855 11.0580 11.0580 12.4123 12.4123 13.2961 13.2961 17.0444 17.0444 19.4442 19.4442 20.4373 20.4373 20.7676 20.7676 22.4968 22.4968 k = 0.3712 0.2143 0.5187 ( 660 PWs) bands (ev): -46.9141 -46.9141 -21.5277 -21.5277 -20.7972 -20.7972 -20.4329 -20.4329 2.9923 2.9923 11.0769 11.0769 12.3587 12.3587 13.2689 13.2689 17.0873 17.0873 19.4957 19.4957 20.4376 20.4376 20.7928 20.7928 22.5305 22.5305 k = 0.3788 0.2187 0.5187 ( 660 PWs) bands (ev): -46.9126 -46.9126 -21.5291 -21.5291 -20.8013 -20.8013 -20.4358 -20.4358 2.9989 2.9989 11.0942 11.0942 12.3075 12.3075 13.2431 13.2431 17.1314 17.1314 19.5454 19.5454 20.4368 20.4368 20.8174 20.8174 22.5625 22.5625 k = 0.3864 0.2231 0.5187 ( 660 PWs) bands (ev): -46.9112 -46.9112 -21.5306 -21.5306 -20.8051 -20.8051 -20.4384 -20.4384 3.0053 3.0053 11.1100 11.1100 12.2588 12.2588 13.2188 13.2188 17.1760 17.1760 19.5931 19.5931 20.4351 20.4351 20.8414 20.8414 22.5927 22.5927 k = 0.3939 0.2274 0.5187 ( 660 PWs) bands (ev): -46.9098 -46.9098 -21.5320 -21.5320 -20.8087 -20.8087 -20.4409 -20.4409 3.0114 3.0114 11.1243 11.1243 12.2129 12.2129 13.1959 13.1959 17.2209 17.2209 19.6386 19.6386 20.4325 20.4325 20.8645 20.8645 22.6211 22.6211 k = 0.4015 0.2318 0.5187 ( 660 PWs) bands (ev): -46.9085 -46.9085 -21.5334 -21.5334 -20.8121 -20.8121 -20.4433 -20.4433 3.0172 3.0172 11.1373 11.1373 12.1696 12.1696 13.1745 13.1745 17.2657 17.2657 19.6819 19.6819 20.4291 20.4291 20.8866 20.8866 22.6477 22.6477 k = 0.4091 0.2362 0.5187 ( 660 PWs) bands (ev): -46.9073 -46.9073 -21.5347 -21.5347 -20.8152 -20.8152 -20.4454 -20.4454 3.0226 3.0226 11.1489 11.1489 12.1292 12.1292 13.1547 13.1547 17.3097 17.3097 19.7227 19.7227 20.4250 20.4250 20.9077 20.9077 22.6723 22.6723 k = 0.4167 0.2406 0.5187 ( 660 PWs) bands (ev): -46.9062 -46.9062 -21.5360 -21.5360 -20.8180 -20.8180 -20.4474 -20.4474 3.0278 3.0278 11.1593 11.1593 12.0918 12.0918 13.1363 13.1363 17.3527 17.3527 19.7609 19.7609 20.4204 20.4204 20.9276 20.9276 22.6951 22.6951 k = 0.4242 0.2449 0.5187 ( 660 PWs) bands (ev): -46.9052 -46.9052 -21.5372 -21.5372 -20.8206 -20.8206 -20.4492 -20.4492 3.0325 3.0325 11.1685 11.1685 12.0573 12.0573 13.1195 13.1195 17.3940 17.3940 19.7963 19.7963 20.4154 20.4154 20.9462 20.9462 22.7159 22.7159 k = 0.4318 0.2493 0.5187 ( 654 PWs) bands (ev): -46.9043 -46.9043 -21.5384 -21.5384 -20.8230 -20.8230 -20.4509 -20.4509 3.0369 3.0369 11.1767 11.1767 12.0259 12.0259 13.1042 13.1042 17.4333 17.4333 19.8288 19.8288 20.4101 20.4101 20.9634 20.9634 22.7349 22.7349 k = 0.4394 0.2537 0.5187 ( 650 PWs) bands (ev): -46.9034 -46.9034 -21.5394 -21.5394 -20.8251 -20.8251 -20.4523 -20.4523 3.0409 3.0409 11.1838 11.1838 11.9977 11.9977 13.0905 13.0905 17.4701 17.4701 19.8582 19.8582 20.4047 20.4047 20.9790 20.9790 22.7519 22.7519 k = 0.4470 0.2581 0.5187 ( 650 PWs) bands (ev): -46.9027 -46.9027 -21.5404 -21.5404 -20.8270 -20.8270 -20.4536 -20.4536 3.0444 3.0444 11.1899 11.1899 11.9726 11.9726 13.0784 13.0784 17.5038 17.5038 19.8845 19.8845 20.3994 20.3994 20.9930 20.9930 22.7669 22.7669 k = 0.4545 0.2624 0.5187 ( 650 PWs) bands (ev): -46.9020 -46.9020 -21.5412 -21.5412 -20.8286 -20.8286 -20.4547 -20.4547 3.0476 3.0476 11.1950 11.1950 11.9508 11.9508 13.0679 13.0679 17.5341 17.5341 19.9075 19.9075 20.3943 20.3943 21.0054 21.0054 22.7799 22.7799 k = 0.4621 0.2668 0.5187 ( 646 PWs) bands (ev): -46.9015 -46.9015 -21.5420 -21.5420 -20.8299 -20.8299 -20.4557 -20.4557 3.0502 3.0502 11.1993 11.1993 11.9322 11.9322 13.0590 13.0590 17.5605 17.5605 19.9272 19.9272 20.3897 20.3897 21.0159 21.0159 22.7910 22.7910 k = 0.4697 0.2712 0.5187 ( 646 PWs) bands (ev): -46.9010 -46.9010 -21.5426 -21.5426 -20.8311 -20.8311 -20.4564 -20.4564 3.0524 3.0524 11.2028 11.2028 11.9170 11.9170 13.0517 13.0517 17.5826 17.5826 19.9434 19.9434 20.3856 20.3856 21.0247 21.0247 22.8000 22.8000 k = 0.4773 0.2756 0.5187 ( 654 PWs) bands (ev): -46.9007 -46.9007 -21.5431 -21.5431 -20.8319 -20.8319 -20.4570 -20.4570 3.0541 3.0541 11.2054 11.2054 11.9051 11.9051 13.0460 13.0460 17.6002 17.6002 19.9560 19.9560 20.3822 20.3822 21.0315 21.0315 22.8071 22.8071 k = 0.4848 0.2799 0.5187 ( 654 PWs) bands (ev): -46.9004 -46.9004 -21.5434 -21.5434 -20.8325 -20.8325 -20.4575 -20.4575 3.0553 3.0553 11.2073 11.2073 11.8966 11.8966 13.0419 13.0419 17.6130 17.6130 19.9651 19.9651 20.3798 20.3798 21.0364 21.0364 22.8121 22.8121 k = 0.4924 0.2843 0.5187 ( 658 PWs) bands (ev): -46.9003 -46.9003 -21.5436 -21.5436 -20.8329 -20.8329 -20.4577 -20.4577 3.0561 3.0561 11.2084 11.2084 11.8915 11.8915 13.0395 13.0395 17.6207 17.6207 19.9705 19.9705 20.3782 20.3782 21.0394 21.0394 22.8151 22.8151 k = 0.5000 0.2887 0.5187 ( 660 PWs) bands (ev): -46.9002 -46.9002 -21.5437 -21.5437 -20.8330 -20.8330 -20.4578 -20.4578 3.0563 3.0563 11.2088 11.2088 11.8898 11.8898 13.0387 13.0387 17.6233 17.6233 19.9723 19.9723 20.3777 20.3777 21.0404 21.0404 22.8161 22.8161 k = 0.5000 0.2887 0.5187 ( 660 PWs) bands (ev): -46.9002 -46.9002 -21.5437 -21.5437 -20.8330 -20.8330 -20.4578 -20.4578 3.0563 3.0563 11.2088 11.2088 11.8898 11.8898 13.0387 13.0387 17.6233 17.6233 19.9723 19.9723 20.3777 20.3777 21.0404 21.0404 22.8161 22.8161 k = 0.4957 0.2961 0.5187 ( 660 PWs) bands (ev): -46.9002 -46.9002 -21.5440 -21.5433 -20.8331 -20.8328 -20.4586 -20.4574 3.0565 3.0566 11.2087 11.2099 11.8850 11.8854 13.0425 13.0432 17.6211 17.6229 19.9741 19.9756 20.3769 20.3786 21.0379 21.0398 22.8163 22.8180 k = 0.4915 0.3035 0.5187 ( 652 PWs) bands (ev): -46.9002 -46.9002 -21.5444 -21.5428 -20.8329 -20.8325 -20.4597 -20.4575 3.0572 3.0573 11.2097 11.2122 11.8712 11.8719 13.0547 13.0561 17.6164 17.6201 19.9811 19.9840 20.3765 20.3798 21.0325 21.0362 22.8185 22.8218 k = 0.4872 0.3109 0.5187 ( 652 PWs) bands (ev): -46.9001 -46.9001 -21.5447 -21.5423 -20.8327 -20.8320 -20.4613 -20.4579 3.0584 3.0585 11.2117 11.2154 11.8491 11.8500 13.0744 13.0764 17.6093 17.6147 19.9930 19.9971 20.3761 20.3813 21.0242 21.0296 22.8226 22.8275 k = 0.4829 0.3183 0.5187 ( 652 PWs) bands (ev): -46.9000 -46.9000 -21.5449 -21.5418 -20.8322 -20.8313 -20.4633 -20.4588 3.0600 3.0601 11.2147 11.2197 11.8195 11.8207 13.1009 13.1034 17.5999 17.6070 20.0096 20.0146 20.3761 20.3834 21.0131 21.0202 22.8286 22.8351 k = 0.4786 0.3257 0.5187 ( 648 PWs) bands (ev): -46.8998 -46.8998 -21.5451 -21.5412 -20.8316 -20.8304 -20.4657 -20.4600 3.0621 3.0622 11.2188 11.2250 11.7835 11.7849 13.1329 13.1361 17.5885 17.5972 20.0305 20.0361 20.3767 20.3863 20.9995 21.0082 22.8364 22.8443 k = 0.4744 0.3331 0.5187 ( 648 PWs) bands (ev): -46.8996 -46.8996 -21.5453 -21.5406 -20.8309 -20.8294 -20.4684 -20.4616 3.0646 3.0648 11.2238 11.2313 11.7423 11.7438 13.1696 13.1732 17.5753 17.5855 20.0550 20.0608 20.3781 20.3904 20.9834 20.9936 22.8457 22.8550 k = 0.4701 0.3405 0.5187 ( 648 PWs) bands (ev): -46.8994 -46.8994 -21.5454 -21.5400 -20.8300 -20.8282 -20.4715 -20.4636 3.0675 3.0678 11.2297 11.2385 11.6968 11.6984 13.2098 13.2138 17.5606 17.5722 20.0825 20.0876 20.3809 20.3965 20.9652 20.9769 22.8565 22.8671 k = 0.4658 0.3479 0.5187 ( 648 PWs) bands (ev): -46.8992 -46.8992 -21.5455 -21.5393 -20.8289 -20.8269 -20.4750 -20.4659 3.0708 3.0711 11.2366 11.2466 11.6479 11.6496 13.2527 13.2571 17.5447 17.5575 20.1117 20.1155 20.3858 20.4054 20.9451 20.9581 22.8686 22.8804 k = 0.4615 0.3553 0.5187 ( 648 PWs) bands (ev): -46.8990 -46.8990 -21.5455 -21.5386 -20.8277 -20.8254 -20.4789 -20.4686 3.0746 3.0749 11.2442 11.2554 11.5964 11.5981 13.2974 13.3022 17.5279 17.5418 20.1412 20.1427 20.3942 20.4184 20.9234 20.9376 22.8816 22.8946 k = 0.4573 0.3627 0.5187 ( 648 PWs) bands (ev): -46.8987 -46.8987 -21.5456 -21.5379 -20.8264 -20.8238 -20.4831 -20.4716 3.0787 3.0791 11.2526 11.2651 11.5430 11.5448 13.3434 13.3485 17.5104 17.5253 20.1676 20.1690 20.4075 20.4369 20.9003 20.9157 22.8956 22.9096 k = 0.4530 0.3701 0.5187 ( 644 PWs) bands (ev): -46.8984 -46.8984 -21.5456 -21.5372 -20.8249 -20.8220 -20.4876 -20.4749 3.0831 3.0836 11.2616 11.2754 11.4883 11.4901 13.3900 13.3954 17.4925 17.5084 20.1886 20.1928 20.4277 20.4622 20.8763 20.8926 22.9103 22.9252 k = 0.4487 0.3775 0.5187 ( 644 PWs) bands (ev): -46.8980 -46.8980 -21.5455 -21.5364 -20.8233 -20.8201 -20.4924 -20.4786 3.0879 3.0884 11.2712 11.2862 11.4327 11.4347 13.4368 13.4425 17.4746 17.4913 20.2046 20.2111 20.4560 20.4949 20.8514 20.8686 22.9254 22.9412 k = 0.4444 0.3849 0.5187 ( 644 PWs) bands (ev): -46.8977 -46.8977 -21.5455 -21.5356 -20.8216 -20.8180 -20.4975 -20.4825 3.0930 3.0935 11.2810 11.2975 11.3768 11.3791 13.4833 13.4893 17.4569 17.4743 20.2156 20.2233 20.4925 20.5347 20.8260 20.8440 22.9409 22.9575 k = 0.4402 0.3923 0.5187 ( 642 PWs) bands (ev): -46.8973 -46.8973 -21.5454 -21.5348 -20.8198 -20.8157 -20.5028 -20.4866 3.0984 3.0989 11.2892 11.3078 11.3223 11.3255 13.5294 13.5357 17.4396 17.4576 20.2223 20.2302 20.5361 20.5807 20.8005 20.8190 22.9566 22.9738 k = 0.4359 0.3997 0.5187 ( 638 PWs) bands (ev): -46.8969 -46.8969 -21.5453 -21.5341 -20.8179 -20.8134 -20.5084 -20.4910 3.1040 3.1045 11.2626 11.2640 11.3073 11.3225 13.5746 13.5811 17.4229 17.4415 20.2254 20.2330 20.5851 20.6316 20.7751 20.7939 22.9723 22.9902 k = 0.4316 0.4071 0.5187 ( 638 PWs) bands (ev): -46.8965 -46.8965 -21.5452 -21.5333 -20.8159 -20.8109 -20.5142 -20.4956 3.1097 3.1103 11.2089 11.2090 11.3170 11.3348 13.6187 13.6254 17.4071 17.4261 20.2259 20.2328 20.6376 20.6863 20.7507 20.7689 22.9880 23.0064 k = 0.4274 0.4145 0.5187 ( 642 PWs) bands (ev): -46.8961 -46.8961 -21.5451 -21.5325 -20.8137 -20.8083 -20.5202 -20.5003 3.1157 3.1163 11.1543 11.1547 11.3282 11.3474 13.6615 13.6685 17.3922 17.4117 20.2243 20.2303 20.6876 20.7323 20.7394 20.7486 23.0034 23.0223 k = 0.4231 0.4219 0.5187 ( 642 PWs) bands (ev): -46.8957 -46.8957 -21.5449 -21.5317 -20.8115 -20.8056 -20.5264 -20.5053 3.1218 3.1224 11.1006 11.1012 11.3399 11.3602 13.7028 13.7100 17.3785 17.3983 20.2211 20.2263 20.6918 20.7192 20.7624 20.8043 23.0186 23.0379 k = 0.4188 0.4293 0.5187 ( 642 PWs) bands (ev): -46.8953 -46.8953 -21.5448 -21.5309 -20.8093 -20.8027 -20.5327 -20.5103 3.1280 3.1287 11.0482 11.0488 11.3516 11.3730 13.7425 13.7499 17.3660 17.3861 20.2167 20.2210 20.6707 20.6957 20.8202 20.8656 23.0333 23.0530 k = 0.4145 0.4367 0.5187 ( 646 PWs) bands (ev): -46.8948 -46.8948 -21.5446 -21.5302 -20.8069 -20.7998 -20.5391 -20.5154 3.1343 3.1350 10.9971 10.9977 11.3634 11.3858 13.7804 13.7881 17.3548 17.3753 20.2114 20.2148 20.6482 20.6728 20.8811 20.9278 23.0476 23.0677 k = 0.4103 0.4441 0.5187 ( 646 PWs) bands (ev): -46.8944 -46.8944 -21.5445 -21.5295 -20.8046 -20.7968 -20.5456 -20.5206 3.1405 3.1413 10.9476 10.9481 11.3751 11.3984 13.8165 13.8243 17.3450 17.3658 20.2053 20.2079 20.6264 20.6509 20.9430 20.9905 23.0614 23.0818 k = 0.4060 0.4515 0.5187 ( 646 PWs) bands (ev): -46.8940 -46.8940 -21.5444 -21.5287 -20.8022 -20.7937 -20.5522 -20.5258 3.1468 3.1475 10.8998 10.9003 11.3865 11.4107 13.8506 13.8586 17.3367 17.3577 20.1986 20.2004 20.6054 20.6301 21.0050 21.0532 23.0747 23.0953 k = 0.4017 0.4589 0.5187 ( 646 PWs) bands (ev): -46.8935 -46.8935 -21.5442 -21.5281 -20.7998 -20.7905 -20.5587 -20.5310 3.1530 3.1538 10.8538 10.8543 11.3977 11.4227 13.8826 13.8908 17.3298 17.3510 20.1914 20.1926 20.5856 20.6104 21.0667 21.1155 23.0873 23.1082 k = 0.3974 0.4663 0.5187 ( 646 PWs) bands (ev): -46.8931 -46.8931 -21.5441 -21.5274 -20.7974 -20.7873 -20.5653 -20.5361 3.1591 3.1599 10.8099 10.8104 11.4085 11.4343 13.9126 13.9210 17.3244 17.3458 20.1839 20.1844 20.5671 20.5920 21.1277 21.1770 23.0993 23.1203 k = 0.3932 0.4737 0.5187 ( 646 PWs) bands (ev): -46.8927 -46.8927 -21.5440 -21.5268 -20.7950 -20.7841 -20.5717 -20.5412 3.1650 3.1659 10.7681 10.7685 11.4189 11.4455 13.9404 13.9489 17.3204 17.3420 20.1761 20.1762 20.5498 20.5749 21.1875 21.2372 23.1106 23.1318 k = 0.3889 0.4811 0.5187 ( 642 PWs) bands (ev): -46.8922 -46.8922 -21.5439 -21.5262 -20.7926 -20.7808 -20.5781 -20.5462 3.1708 3.1717 10.7286 10.7290 11.4289 11.4561 13.9661 13.9747 17.3177 17.3395 20.1677 20.1684 20.5339 20.5592 21.2457 21.2958 23.1212 23.1426 k = 0.3846 0.4885 0.5187 ( 642 PWs) bands (ev): -46.8918 -46.8918 -21.5438 -21.5257 -20.7903 -20.7776 -20.5844 -20.5510 3.1764 3.1772 10.6915 10.6918 11.4382 11.4661 13.9896 13.9983 17.3163 17.3383 20.1594 20.1606 20.5194 20.5448 21.3018 21.3524 23.1311 23.1527 k = 0.3803 0.4959 0.5187 ( 642 PWs) bands (ev): -46.8914 -46.8914 -21.5437 -21.5252 -20.7881 -20.7744 -20.5904 -20.5556 3.1817 3.1825 10.6569 10.6572 11.4470 11.4754 14.0109 14.0198 17.3160 17.3382 20.1511 20.1528 20.5064 20.5319 21.3556 21.4066 23.1403 23.1619 k = 0.3761 0.5033 0.5187 ( 646 PWs) bands (ev): -46.8911 -46.8911 -21.5436 -21.5248 -20.7860 -20.7712 -20.5962 -20.5599 3.1866 3.1875 10.6249 10.6251 11.4551 11.4841 14.0300 14.0390 17.3167 17.3391 20.1431 20.1452 20.4947 20.5204 21.4066 21.4579 23.1487 23.1705 k = 0.3718 0.5107 0.5187 ( 646 PWs) bands (ev): -46.8907 -46.8907 -21.5436 -21.5244 -20.7840 -20.7682 -20.6017 -20.5640 3.1913 3.1922 10.5956 10.5958 11.4625 11.4920 14.0471 14.0561 17.3184 17.3409 20.1354 20.1379 20.4844 20.5103 21.4544 21.5060 23.1563 23.1782 k = 0.3675 0.5181 0.5187 ( 646 PWs) bands (ev): -46.8904 -46.8904 -21.5436 -21.5241 -20.7822 -20.7653 -20.6069 -20.5678 3.1956 3.1965 10.5691 10.5693 11.4692 11.4991 14.0620 14.0711 17.3207 17.3434 20.1281 20.1309 20.4755 20.5015 21.4986 21.5505 23.1632 23.1852 k = 0.3632 0.5255 0.5187 ( 646 PWs) bands (ev): -46.8901 -46.8901 -21.5435 -21.5238 -20.7805 -20.7626 -20.6117 -20.5712 3.1994 3.2004 10.5455 10.5456 11.4752 11.5054 14.0749 14.0841 17.3235 17.3464 20.1213 20.1245 20.4680 20.4941 21.5389 21.5910 23.1693 23.1914 k = 0.3590 0.5329 0.5187 ( 646 PWs) bands (ev): -46.8899 -46.8899 -21.5435 -21.5235 -20.7790 -20.7601 -20.6160 -20.5743 3.2029 3.2038 10.5249 10.5249 11.4804 11.5109 14.0857 14.0950 17.3267 17.3497 20.1151 20.1185 20.4617 20.4879 21.5748 21.6272 23.1747 23.1968 k = 0.3547 0.5403 0.5187 ( 646 PWs) bands (ev): -46.8896 -46.8896 -21.5435 -21.5233 -20.7778 -20.7579 -20.6197 -20.5769 3.2058 3.2068 10.5072 10.5073 11.4848 11.5156 14.0947 14.1040 17.3300 17.3531 20.1097 20.1133 20.4566 20.4829 21.6060 21.6585 23.1792 23.2014 k = 0.3504 0.5477 0.5187 ( 646 PWs) bands (ev): -46.8895 -46.8895 -21.5435 -21.5231 -20.7767 -20.7561 -20.6229 -20.5791 3.2083 3.2093 10.4927 10.4928 11.4884 11.5194 14.1018 14.1112 17.3332 17.3565 20.1050 20.1088 20.4526 20.4790 21.6320 21.6848 23.1830 23.2052 k = 0.3462 0.5551 0.5187 ( 646 PWs) bands (ev): -46.8893 -46.8893 -21.5435 -21.5230 -20.7759 -20.7546 -20.6254 -20.5808 3.2102 3.2112 10.4813 10.4814 11.4912 11.5224 14.1072 14.1166 17.3361 17.3594 20.1013 20.1052 20.4497 20.4762 21.6527 21.7056 23.1859 23.2081 k = 0.3419 0.5625 0.5187 ( 646 PWs) bands (ev): -46.8892 -46.8892 -21.5435 -21.5229 -20.7753 -20.7535 -20.6273 -20.5820 3.2116 3.2126 10.4732 10.4732 11.4932 11.5245 14.1109 14.1204 17.3384 17.3618 20.0985 20.1025 20.4478 20.4742 21.6678 21.7208 23.1880 23.2103 k = 0.3376 0.5699 0.5187 ( 650 PWs) bands (ev): -46.8891 -46.8891 -21.5436 -21.5229 -20.7750 -20.7529 -20.6284 -20.5828 3.2125 3.2135 10.4682 10.4683 11.4944 11.5258 14.1131 14.1225 17.3399 17.3634 20.0968 20.1009 20.4467 20.4732 21.6769 21.7300 23.1893 23.2116 k = 0.3333 0.5774 0.5187 ( 648 PWs) bands (ev): -46.8891 -46.8891 -21.5436 -21.5229 -20.7748 -20.7527 -20.6288 -20.5830 3.2128 3.2138 10.4666 10.4666 11.4948 11.5262 14.1138 14.1232 17.3405 17.3640 20.0962 20.1003 20.4463 20.4729 21.6800 21.7330 23.1897 23.2120 k = 0.3333 0.5774 0.5187 ( 648 PWs) bands (ev): -46.8891 -46.8891 -21.5436 -21.5229 -20.7748 -20.7527 -20.6288 -20.5830 3.2128 3.2138 10.4666 10.4666 11.4948 11.5262 14.1138 14.1232 17.3405 17.3640 20.0962 20.1003 20.4463 20.4729 21.6800 21.7330 23.1897 23.2120 k = 0.3290 0.5699 0.5187 ( 652 PWs) bands (ev): -46.8891 -46.8891 -21.5436 -21.5229 -20.7750 -20.7529 -20.6284 -20.5828 3.2125 3.2135 10.4683 10.4683 11.4944 11.5258 14.1131 14.1225 17.3398 17.3633 20.0968 20.1009 20.4466 20.4731 21.6768 21.7298 23.1893 23.2115 k = 0.3247 0.5624 0.5187 ( 652 PWs) bands (ev): -46.8892 -46.8892 -21.5435 -21.5229 -20.7753 -20.7535 -20.6273 -20.5820 3.2116 3.2126 10.4734 10.4734 11.4932 11.5245 14.1112 14.1206 17.3378 17.3612 20.0986 20.1027 20.4475 20.4740 21.6672 21.7202 23.1879 23.2102 k = 0.3203 0.5549 0.5187 ( 648 PWs) bands (ev): -46.8893 -46.8893 -21.5435 -21.5230 -20.7758 -20.7544 -20.6255 -20.5808 3.2101 3.2111 10.4819 10.4820 11.4912 11.5224 14.1081 14.1175 17.3342 17.3575 20.1018 20.1058 20.4488 20.4752 21.6513 21.7041 23.1856 23.2078 k = 0.3160 0.5474 0.5187 ( 648 PWs) bands (ev): -46.8895 -46.8895 -21.5434 -21.5230 -20.7764 -20.7557 -20.6231 -20.5791 3.2080 3.2090 10.4939 10.4940 11.4884 11.5194 14.1039 14.1133 17.3287 17.3519 20.1062 20.1100 20.4505 20.4768 21.6290 21.6817 23.1823 23.2045 k = 0.3117 0.5399 0.5187 ( 644 PWs) bands (ev): -46.8897 -46.8897 -21.5433 -21.5231 -20.7772 -20.7572 -20.6201 -20.5770 3.2053 3.2062 10.5093 10.5094 11.4848 11.5157 14.0989 14.1082 17.3215 17.3445 20.1118 20.1155 20.4524 20.4786 21.6006 21.6530 23.1780 23.2002 k = 0.3074 0.5324 0.5187 ( 644 PWs) bands (ev): -46.8901 -46.8901 -21.5432 -21.5232 -20.7781 -20.7588 -20.6166 -20.5745 3.2020 3.2029 10.5282 10.5283 11.4805 11.5111 14.0930 14.1023 17.3122 17.3350 20.1187 20.1222 20.4544 20.4805 21.5662 21.6184 23.1727 23.1948 k = 0.3030 0.5249 0.5187 ( 644 PWs) bands (ev): -46.8904 -46.8904 -21.5430 -21.5232 -20.7791 -20.7605 -20.6127 -20.5716 3.1981 3.1990 10.5504 10.5506 11.4754 11.5057 14.0865 14.0958 17.3009 17.3234 20.1266 20.1299 20.4565 20.4824 21.5261 21.5780 23.1662 23.1883 k = 0.2987 0.5174 0.5187 ( 636 PWs) bands (ev): -46.8908 -46.8908 -21.5428 -21.5233 -20.7801 -20.7623 -20.6084 -20.5684 3.1936 3.1946 10.5761 10.5763 11.4695 11.4995 14.0794 14.0886 17.2875 17.3097 20.1356 20.1387 20.4585 20.4842 21.4807 21.5322 23.1587 23.1807 k = 0.2944 0.5099 0.5187 ( 636 PWs) bands (ev): -46.8913 -46.8913 -21.5425 -21.5233 -20.7811 -20.7641 -20.6037 -20.5648 3.1886 3.1896 10.6051 10.6053 11.4628 11.4925 14.0718 14.0810 17.2720 17.2938 20.1455 20.1484 20.4603 20.4858 21.4302 21.4813 23.1499 23.1719 k = 0.2900 0.5024 0.5187 ( 636 PWs) bands (ev): -46.8919 -46.8919 -21.5422 -21.5233 -20.7821 -20.7658 -20.5988 -20.5610 3.1831 3.1840 10.6374 10.6377 11.4554 11.4847 14.0640 14.0731 17.2544 17.2759 20.1562 20.1588 20.4618 20.4871 21.3750 21.4257 23.1400 23.1618 k = 0.2857 0.4949 0.5187 ( 638 PWs) bands (ev): -46.8925 -46.8925 -21.5418 -21.5233 -20.7830 -20.7674 -20.5936 -20.5569 3.1771 3.1780 10.6730 10.6733 11.4472 11.4761 14.0559 14.0650 17.2349 17.2560 20.1674 20.1698 20.4631 20.4881 21.3156 21.3658 23.1287 23.1505 k = 0.2814 0.4874 0.5187 ( 642 PWs) bands (ev): -46.8932 -46.8932 -21.5414 -21.5232 -20.7838 -20.7689 -20.5881 -20.5525 3.1705 3.1714 10.7119 10.7122 11.4382 11.4666 14.0477 14.0568 17.2134 17.2341 20.1791 20.1812 20.4639 20.4886 21.2523 21.3020 23.1161 23.1378 k = 0.2771 0.4799 0.5187 ( 642 PWs) bands (ev): -46.8940 -46.8940 -21.5409 -21.5231 -20.7846 -20.7703 -20.5825 -20.5479 3.1636 3.1644 10.7539 10.7543 11.4284 11.4564 14.0395 14.0486 17.1902 17.2104 20.1911 20.1929 20.4643 20.4887 21.1856 21.2347 23.1021 23.1238 k = 0.2727 0.4724 0.5187 ( 642 PWs) bands (ev): -46.8948 -46.8948 -21.5403 -21.5230 -20.7852 -20.7714 -20.5767 -20.5432 3.1562 3.1570 10.7990 10.7995 11.4178 11.4452 14.0314 14.0404 17.1653 17.1850 20.2030 20.2045 20.4642 20.4882 21.1159 21.1644 23.0868 23.1083 k = 0.2684 0.4649 0.5187 ( 646 PWs) bands (ev): -46.8957 -46.8957 -21.5396 -21.5228 -20.7857 -20.7724 -20.5708 -20.5383 3.1483 3.1492 10.8473 10.8478 11.4064 11.4332 14.0235 14.0325 17.1389 17.1581 20.2146 20.2159 20.4636 20.4872 21.0437 21.0916 23.0699 23.0913 k = 0.2641 0.4574 0.5187 ( 646 PWs) bands (ev): -46.8967 -46.8967 -21.5389 -21.5226 -20.7860 -20.7732 -20.5647 -20.5332 3.1402 3.1410 10.8985 10.8991 11.3940 11.4203 14.0159 14.0249 17.1111 17.1299 20.2257 20.2267 20.4623 20.4856 20.9696 21.0167 23.0515 23.0728 k = 0.2597 0.4499 0.5187 ( 646 PWs) bands (ev): -46.8977 -46.8977 -21.5381 -21.5223 -20.7861 -20.7738 -20.5585 -20.5279 3.1316 3.1324 10.9526 10.9533 11.3808 11.4065 14.0087 14.0177 17.0823 17.1006 20.2358 20.2366 20.4604 20.4834 20.8940 20.9403 23.0315 23.0527 k = 0.2554 0.4424 0.5187 ( 646 PWs) bands (ev): -46.8988 -46.8988 -21.5373 -21.5220 -20.7861 -20.7741 -20.5522 -20.5226 3.1228 3.1236 11.0095 11.0103 11.3667 11.3917 14.0020 14.0109 17.0526 17.0704 20.2444 20.2450 20.4578 20.4805 20.8177 20.8631 23.0098 23.0310 k = 0.2511 0.4349 0.5187 ( 646 PWs) bands (ev): -46.9000 -46.9000 -21.5364 -21.5216 -20.7859 -20.7742 -20.5458 -20.5171 3.1137 3.1144 11.0693 11.0701 11.3515 11.3760 13.9958 14.0047 17.0221 17.0394 20.2507 20.2512 20.4543 20.4770 20.7418 20.7860 22.9865 23.0076 k = 0.2468 0.4274 0.5187 ( 646 PWs) bands (ev): -46.9012 -46.9012 -21.5354 -21.5212 -20.7854 -20.7741 -20.5393 -20.5115 3.1044 3.1051 11.1317 11.1326 11.3354 11.3592 13.9903 13.9992 16.9912 17.0080 20.2537 20.2541 20.4498 20.4728 20.6677 20.7103 22.9615 22.9824 k = 0.2424 0.4199 0.5187 ( 650 PWs) bands (ev): -46.9025 -46.9025 -21.5344 -21.5207 -20.7847 -20.7737 -20.5328 -20.5059 3.0948 3.0955 11.1967 11.1975 11.3183 11.3413 13.9855 13.9944 16.9600 16.9763 20.2511 20.2518 20.4436 20.4680 20.5984 20.6378 22.9348 22.9556 k = 0.2381 0.4124 0.5187 ( 648 PWs) bands (ev): -46.9038 -46.9038 -21.5333 -21.5202 -20.7838 -20.7730 -20.5262 -20.5002 3.0850 3.0857 11.2641 11.2645 11.3007 11.3223 13.9815 13.9904 16.9288 16.9447 20.2394 20.2416 20.4346 20.4626 20.5386 20.5717 22.9063 22.9270 k = 0.2338 0.4049 0.5187 ( 648 PWs) bands (ev): -46.9053 -46.9053 -21.5322 -21.5196 -20.7827 -20.7721 -20.5196 -20.4944 3.0752 3.0758 11.2797 11.3020 11.3342 11.3360 13.9783 13.9872 16.8979 16.9132 20.2136 20.2191 20.4210 20.4566 20.4954 20.5162 22.8760 22.8965 k = 0.2294 0.3974 0.5187 ( 648 PWs) bands (ev): -46.9068 -46.9068 -21.5311 -21.5190 -20.7813 -20.7709 -20.5129 -20.4885 3.0651 3.0657 11.2595 11.2807 11.4063 11.4080 13.9760 13.9849 16.8673 16.8823 20.1700 20.1807 20.4045 20.4501 20.4709 20.4751 22.8439 22.8643 k = 0.2251 0.3899 0.5187 ( 648 PWs) bands (ev): -46.9083 -46.9083 -21.5299 -21.5184 -20.7796 -20.7695 -20.5061 -20.4826 3.0550 3.0556 11.2377 11.2582 11.4807 11.4824 13.9748 13.9837 16.8375 16.8520 20.1103 20.1264 20.3905 20.4427 20.4490 20.4581 22.8100 22.8303 k = 0.2208 0.3824 0.5187 ( 652 PWs) bands (ev): -46.9099 -46.9099 -21.5287 -21.5177 -20.7777 -20.7678 -20.4994 -20.4766 3.0448 3.0454 11.2146 11.2343 11.5572 11.5590 13.9745 13.9834 16.8085 16.8226 20.0399 20.0599 20.3805 20.4315 20.4370 20.4502 22.7743 22.7945 k = 0.2165 0.3749 0.5187 ( 654 PWs) bands (ev): -46.9116 -46.9116 -21.5275 -21.5170 -20.7756 -20.7658 -20.4926 -20.4706 3.0346 3.0351 11.1903 11.2092 11.6356 11.6376 13.9753 13.9843 16.7806 16.7943 19.9634 19.9857 20.3729 20.4217 20.4297 20.4445 22.7368 22.7568 k = 0.2121 0.3674 0.5187 ( 654 PWs) bands (ev): -46.9133 -46.9133 -21.5263 -21.5164 -20.7732 -20.7636 -20.4857 -20.4646 3.0244 3.0249 11.1646 11.1827 11.7160 11.7181 13.9773 13.9862 16.7540 16.7674 19.8834 19.9071 20.3663 20.4140 20.4236 20.4400 22.6975 22.7174 k = 0.2078 0.3599 0.5187 ( 654 PWs) bands (ev): -46.9150 -46.9150 -21.5250 -21.5157 -20.7705 -20.7611 -20.4789 -20.4585 3.0142 3.0146 11.1375 11.1549 11.7981 11.8003 13.9804 13.9894 16.7289 16.7419 19.8015 19.8259 20.3598 20.4061 20.4189 20.4359 22.6564 22.6762 k = 0.2035 0.3524 0.5187 ( 650 PWs) bands (ev): -46.9168 -46.9168 -21.5238 -21.5150 -20.7676 -20.7583 -20.4720 -20.4524 3.0040 3.0044 11.1091 11.1257 11.8819 11.8843 13.9847 13.9937 16.7055 16.7182 19.7189 19.7434 20.3529 20.3976 20.4153 20.4321 22.6137 22.6333 k = 0.1991 0.3449 0.5187 ( 654 PWs) bands (ev): -46.9187 -46.9187 -21.5226 -21.5143 -20.7644 -20.7553 -20.4651 -20.4462 2.9938 2.9943 11.0792 11.0951 11.9672 11.9697 13.9902 13.9993 16.6839 16.6963 19.6358 19.6603 20.3455 20.3885 20.4118 20.4280 22.5692 22.5887 k = 0.1948 0.3374 0.5187 ( 654 PWs) bands (ev): -46.9206 -46.9206 -21.5215 -21.5137 -20.7609 -20.7521 -20.4582 -20.4401 2.9838 2.9842 11.0480 11.0631 12.0539 12.0566 13.9969 14.0061 16.6644 16.6765 19.5528 19.5769 20.3378 20.3791 20.4081 20.4237 22.5230 22.5424 k = 0.1905 0.3299 0.5187 ( 654 PWs) bands (ev): -46.9225 -46.9225 -21.5203 -21.5130 -20.7573 -20.7486 -20.4512 -20.4339 2.9738 2.9742 11.0155 11.0297 12.1418 12.1447 14.0049 14.0142 16.6470 16.6588 19.4701 19.4939 20.3296 20.3696 20.4039 20.4188 22.4753 22.4946 k = 0.1861 0.3224 0.5187 ( 654 PWs) bands (ev): -46.9245 -46.9245 -21.5192 -21.5124 -20.7534 -20.7449 -20.4443 -20.4277 2.9639 2.9643 10.9815 10.9950 12.2309 12.2341 14.0143 14.0235 16.6319 16.6434 19.3880 19.4113 20.3212 20.3600 20.3989 20.4133 22.4261 22.4452 k = 0.1818 0.3149 0.5187 ( 658 PWs) bands (ev): -46.9265 -46.9265 -21.5182 -21.5118 -20.7492 -20.7409 -20.4374 -20.4215 2.9542 2.9545 10.9462 10.9590 12.3211 12.3244 14.0249 14.0342 16.6191 16.6304 19.3067 19.3293 20.3126 20.3503 20.3930 20.4069 22.3753 22.3943 k = 0.1775 0.3074 0.5187 ( 658 PWs) bands (ev): -46.9285 -46.9285 -21.5172 -21.5113 -20.7448 -20.7368 -20.4304 -20.4153 2.9446 2.9449 10.9096 10.9217 12.4121 12.4156 14.0368 14.0462 16.6088 16.6199 19.2262 19.2483 20.3039 20.3408 20.3862 20.3998 22.3232 22.3420 k = 0.1732 0.2999 0.5187 ( 658 PWs) bands (ev): -46.9306 -46.9306 -21.5163 -21.5108 -20.7403 -20.7324 -20.4234 -20.4090 2.9351 2.9354 10.8718 10.8831 12.5038 12.5076 14.0500 14.0595 16.6010 16.6119 19.1468 19.1682 20.2953 20.3314 20.3784 20.3918 22.2698 22.2884 k = 0.1688 0.2924 0.5187 ( 658 PWs) bands (ev): -46.9326 -46.9326 -21.5155 -21.5104 -20.7355 -20.7279 -20.4164 -20.4028 2.9259 2.9261 10.8327 10.8433 12.5961 12.6001 14.0645 14.0741 16.5958 16.6065 19.0685 19.0892 20.2867 20.3223 20.3696 20.3829 22.2151 22.2336 k = 0.1645 0.2849 0.5187 ( 658 PWs) bands (ev): -46.9347 -46.9347 -21.5147 -21.5100 -20.7306 -20.7232 -20.4095 -20.3965 2.9167 2.9170 10.7926 10.8025 12.6889 12.6932 14.0803 14.0900 16.5933 16.6038 18.9914 19.0114 20.2783 20.3134 20.3598 20.3731 22.1592 22.1776 k = 0.1602 0.2774 0.5187 ( 658 PWs) bands (ev): -46.9368 -46.9368 -21.5140 -21.5097 -20.7254 -20.7184 -20.4025 -20.3902 2.9078 2.9081 10.7513 10.7606 12.7820 12.7865 14.0974 14.1072 16.5934 16.6037 18.9156 18.9349 20.2701 20.3050 20.3491 20.3625 22.1024 22.1206 k = 0.1558 0.2699 0.5187 ( 658 PWs) bands (ev): -46.9390 -46.9390 -21.5134 -21.5095 -20.7202 -20.7134 -20.3955 -20.3839 2.8991 2.8993 10.7091 10.7177 12.8752 12.8800 14.1157 14.1257 16.5961 16.6062 18.8412 18.8598 20.2622 20.2969 20.3375 20.3511 22.0445 22.0626 k = 0.1515 0.2624 0.5187 ( 658 PWs) bands (ev): -46.9411 -46.9411 -21.5129 -21.5093 -20.7148 -20.7083 -20.3885 -20.3776 2.8906 2.8908 10.6660 10.6740 12.9683 12.9735 14.1352 14.1454 16.6015 16.6114 18.7683 18.7862 20.2545 20.2893 20.3250 20.3390 21.9858 22.0037 k = 0.1472 0.2549 0.5187 ( 658 PWs) bands (ev): -46.9432 -46.9432 -21.5125 -21.5092 -20.7093 -20.7031 -20.3815 -20.3713 2.8822 2.8824 10.6222 10.6295 13.0613 13.0668 14.1560 14.1663 16.6095 16.6192 18.6968 18.7141 20.2471 20.2820 20.3119 20.3263 21.9264 21.9441 k = 0.1429 0.2474 0.5187 ( 660 PWs) bands (ev): -46.9453 -46.9453 -21.5122 -21.5092 -20.7037 -20.6978 -20.3746 -20.3650 2.8741 2.8743 10.5777 10.5844 13.1540 13.1597 14.1779 14.1884 16.6200 16.6295 18.6270 18.6435 20.2398 20.2747 20.2984 20.3132 21.8663 21.8838 k = 0.1385 0.2399 0.5187 ( 664 PWs) bands (ev): -46.9475 -46.9475 -21.5119 -21.5092 -20.6980 -20.6924 -20.3676 -20.3587 2.8662 2.8664 10.5326 10.5388 13.2461 13.2522 14.2010 14.2116 16.6330 16.6423 18.5587 18.5746 20.2324 20.2665 20.2858 20.3001 21.8057 21.8230 k = 0.1342 0.2324 0.5187 ( 664 PWs) bands (ev): -46.9496 -46.9496 -21.5117 -21.5093 -20.6923 -20.6870 -20.3607 -20.3524 2.8586 2.8587 10.4871 10.4928 13.3375 13.3439 14.2251 14.2359 16.6484 16.6575 18.4921 18.5073 20.2246 20.2554 20.2760 20.2874 21.7447 21.7617 k = 0.1299 0.2249 0.5187 ( 664 PWs) bands (ev): -46.9516 -46.9516 -21.5117 -21.5095 -20.6866 -20.6816 -20.3538 -20.3461 2.8511 2.8513 10.4414 10.4465 13.4280 13.4348 14.2503 14.2613 16.6661 16.6751 18.4272 18.4418 20.2156 20.2408 20.2698 20.2759 21.6834 21.7003 k = 0.1255 0.2174 0.5187 ( 664 PWs) bands (ev): -46.9537 -46.9537 -21.5117 -21.5097 -20.6808 -20.6762 -20.3469 -20.3399 2.8439 2.8440 10.3955 10.4001 13.5175 13.5247 14.2764 14.2876 16.6860 16.6948 18.3642 18.3781 20.2049 20.2239 20.2660 20.2663 21.6220 21.6386 k = 0.1212 0.2099 0.5187 ( 664 PWs) bands (ev): -46.9558 -46.9558 -21.5117 -21.5100 -20.6751 -20.6708 -20.3401 -20.3336 2.8370 2.8371 10.3495 10.3537 13.6058 13.6134 14.3034 14.3148 16.7081 16.7167 18.3029 18.3162 20.1920 20.2057 20.2592 20.2638 21.5605 21.5769 k = 0.1169 0.2024 0.5187 ( 664 PWs) bands (ev): -46.9578 -46.9578 -21.5119 -21.5103 -20.6694 -20.6654 -20.3333 -20.3274 2.8302 2.8303 10.3037 10.3075 13.6926 13.7006 14.3313 14.3429 16.7321 16.7405 18.2434 18.2561 20.1767 20.1866 20.2547 20.2628 21.4992 21.5154 k = 0.1126 0.1949 0.5187 ( 664 PWs) bands (ev): -46.9598 -46.9598 -21.5121 -21.5107 -20.6637 -20.6601 -20.3266 -20.3212 2.8237 2.8238 10.2581 10.2615 13.7779 13.7863 14.3599 14.3717 16.7580 16.7662 18.1859 18.1980 20.1595 20.1666 20.2525 20.2630 21.4382 21.4540 k = 0.1082 0.1875 0.5187 ( 664 PWs) bands (ev): -46.9617 -46.9617 -21.5124 -21.5112 -20.6582 -20.6549 -20.3199 -20.3151 2.8175 2.8176 10.2129 10.2160 13.8614 13.8702 14.3891 14.4012 16.7855 16.7935 18.1303 18.1418 20.1409 20.1460 20.2523 20.2643 21.3775 21.3931 k = 0.1039 0.1800 0.5187 ( 660 PWs) bands (ev): -46.9636 -46.9636 -21.5128 -21.5117 -20.6527 -20.6497 -20.3134 -20.3090 2.8115 2.8116 10.1683 10.1710 13.9429 13.9522 14.4190 14.4313 16.8146 16.8223 18.0766 18.0876 20.1211 20.1249 20.2538 20.2668 21.3175 21.3327 k = 0.0996 0.1725 0.5187 ( 660 PWs) bands (ev): -46.9655 -46.9655 -21.5131 -21.5122 -20.6474 -20.6446 -20.3069 -20.3030 2.8057 2.8058 10.1243 10.1267 14.0223 14.0320 14.4493 14.4619 16.8450 16.8525 18.0249 18.0353 20.1004 20.1032 20.2568 20.2703 21.2581 21.2730 k = 0.0952 0.1650 0.5187 ( 664 PWs) bands (ev): -46.9673 -46.9673 -21.5136 -21.5128 -20.6421 -20.6397 -20.3005 -20.2970 2.8002 2.8003 10.0811 10.0832 14.0993 14.1095 14.4800 14.4928 16.8766 16.8839 17.9753 17.9851 20.0790 20.0811 20.2611 20.2749 21.1995 21.2141 k = 0.0909 0.1575 0.5187 ( 660 PWs) bands (ev): -46.9691 -46.9691 -21.5141 -21.5134 -20.6371 -20.6349 -20.2943 -20.2912 2.7949 2.7950 10.0388 10.0406 14.1738 14.1846 14.5109 14.5240 16.9093 16.9163 17.9277 17.9370 20.0571 20.0587 20.2666 20.2805 21.1420 21.1562 k = 0.0866 0.1500 0.5187 ( 660 PWs) bands (ev): -46.9708 -46.9708 -21.5146 -21.5140 -20.6322 -20.6303 -20.2881 -20.2855 2.7899 2.7900 9.9976 9.9991 14.2457 14.2570 14.5420 14.5554 16.9427 16.9494 17.8822 17.8910 20.0348 20.0359 20.2733 20.2870 21.0857 21.0995 k = 0.0823 0.1425 0.5187 ( 660 PWs) bands (ev): -46.9724 -46.9724 -21.5151 -21.5146 -20.6275 -20.6258 -20.2822 -20.2799 2.7851 2.7852 9.9575 9.9589 14.3148 14.3266 14.5732 14.5868 16.9767 16.9832 17.8388 17.8470 20.0122 20.0131 20.2810 20.2945 21.0307 21.0440 k = 0.0779 0.1350 0.5187 ( 660 PWs) bands (ev): -46.9740 -46.9740 -21.5157 -21.5153 -20.6229 -20.6215 -20.2764 -20.2744 2.7806 2.7806 9.9188 9.9199 14.3809 14.3932 14.6042 14.6181 17.0111 17.0173 17.7975 17.8052 19.9895 19.9901 20.2896 20.3028 20.9772 20.9901 k = 0.0736 0.1275 0.5187 ( 656 PWs) bands (ev): -46.9756 -46.9756 -21.5163 -21.5159 -20.6186 -20.6174 -20.2708 -20.2691 2.7763 2.7763 9.8814 9.8824 14.4439 14.4567 14.6350 14.6492 17.0456 17.0516 17.7583 17.7656 19.9668 19.9672 20.2991 20.3119 20.9253 20.9378 k = 0.0693 0.1200 0.5187 ( 656 PWs) bands (ev): -46.9770 -46.9770 -21.5169 -21.5166 -20.6145 -20.6134 -20.2654 -20.2640 2.7723 2.7723 9.8456 9.8464 14.5037 14.5169 14.6653 14.6799 17.0801 17.0858 17.7214 17.7282 19.9441 19.9444 20.3093 20.3217 20.8753 20.8873 k = 0.0649 0.1125 0.5187 ( 660 PWs) bands (ev): -46.9784 -46.9784 -21.5175 -21.5172 -20.6106 -20.6097 -20.2602 -20.2590 2.7685 2.7685 9.8114 9.8121 14.5601 14.5737 14.6952 14.7100 17.1143 17.1197 17.6866 17.6929 19.9217 19.9219 20.3201 20.3319 20.8273 20.8387 k = 0.0606 0.1050 0.5187 ( 660 PWs) bands (ev): -46.9797 -46.9797 -21.5181 -21.5179 -20.6069 -20.6062 -20.2553 -20.2543 2.7649 2.7649 9.7789 9.7795 14.6130 14.6271 14.7243 14.7394 17.1480 17.1530 17.6540 17.6599 19.8996 19.8997 20.3314 20.3425 20.7815 20.7923 k = 0.0563 0.0975 0.5187 ( 660 PWs) bands (ev): -46.9810 -46.9810 -21.5186 -21.5185 -20.6035 -20.6029 -20.2506 -20.2498 2.7616 2.7616 9.7483 9.7487 14.6623 14.6769 14.7526 14.7680 17.1808 17.1856 17.6237 17.6291 19.8780 19.8781 20.3429 20.3535 20.7380 20.7482 k = 0.0519 0.0900 0.5187 ( 660 PWs) bands (ev): -46.9821 -46.9821 -21.5192 -21.5191 -20.6003 -20.5998 -20.2462 -20.2455 2.7586 2.7586 9.7196 9.7199 14.7080 14.7230 14.7799 14.7956 17.2126 17.2170 17.5957 17.6006 19.8571 19.8571 20.3546 20.3645 20.6970 20.7066 k = 0.0476 0.0825 0.5187 ( 660 PWs) bands (ev): -46.9832 -46.9832 -21.5197 -21.5196 -20.5973 -20.5970 -20.2420 -20.2416 2.7558 2.7558 9.6928 9.6931 14.7499 14.7653 14.8060 14.8219 17.2430 17.2471 17.5699 17.5744 19.8370 19.8370 20.3662 20.3754 20.6587 20.6676 k = 0.0433 0.0750 0.5187 ( 660 PWs) bands (ev): -46.9842 -46.9842 -21.5202 -21.5201 -20.5947 -20.5944 -20.2382 -20.2379 2.7532 2.7532 9.6681 9.6683 14.7881 14.8039 14.8307 14.8469 17.2718 17.2756 17.5465 17.5506 19.8178 19.8178 20.3777 20.3861 20.6232 20.6314 k = 0.0390 0.0675 0.5187 ( 664 PWs) bands (ev): -46.9851 -46.9851 -21.5207 -21.5206 -20.5922 -20.5920 -20.2347 -20.2344 2.7509 2.7509 9.6456 9.6457 14.8225 14.8386 14.8539 14.8703 17.2987 17.3021 17.5255 17.5290 19.7998 19.7998 20.3887 20.3963 20.5906 20.5981 k = 0.0346 0.0600 0.5187 ( 660 PWs) bands (ev): -46.9859 -46.9859 -21.5211 -21.5211 -20.5900 -20.5899 -20.2315 -20.2313 2.7488 2.7488 9.6252 9.6253 14.8531 14.8695 14.8754 14.8920 17.3235 17.3265 17.5069 17.5101 19.7830 19.7831 20.3991 20.4060 20.5613 20.5680 k = 0.0303 0.0525 0.5187 ( 660 PWs) bands (ev): -46.9866 -46.9866 -21.5215 -21.5215 -20.5881 -20.5880 -20.2287 -20.2286 2.7470 2.7470 9.6072 9.6072 14.8799 14.8950 14.8966 14.9118 17.3456 17.3481 17.4910 17.4936 19.7678 19.7678 20.4088 20.4148 20.5352 20.5411 k = 0.0260 0.0450 0.5187 ( 660 PWs) bands (ev): -46.9872 -46.9872 -21.5219 -21.5218 -20.5864 -20.5863 -20.2262 -20.2262 2.7454 2.7454 9.5914 9.5914 14.9029 14.9125 14.9198 14.9295 17.3647 17.3668 17.4778 17.4799 19.7542 19.7542 20.4174 20.4225 20.5126 20.5176 k = 0.0216 0.0375 0.5187 ( 660 PWs) bands (ev): -46.9877 -46.9877 -21.5222 -21.5222 -20.5850 -20.5850 -20.2241 -20.2241 2.7440 2.7440 9.5780 9.5780 14.9222 14.9278 14.9392 14.9449 17.3804 17.3820 17.4676 17.4693 19.7424 19.7424 20.4248 20.4289 20.4937 20.4978 k = 0.0173 0.0300 0.5187 ( 660 PWs) bands (ev): -46.9882 -46.9882 -21.5224 -21.5224 -20.5838 -20.5838 -20.2224 -20.2224 2.7429 2.7429 9.5669 9.5669 14.9378 14.9406 14.9549 14.9579 17.3921 17.3932 17.4608 17.4619 19.7325 19.7325 20.4306 20.4336 20.4789 20.4819 k = 0.0130 0.0225 0.5187 ( 660 PWs) bands (ev): -46.9885 -46.9885 -21.5226 -21.5226 -20.5829 -20.5829 -20.2210 -20.2210 2.7421 2.7421 9.5583 9.5583 14.9497 14.9509 14.9670 14.9682 17.3997 17.4002 17.4574 17.4579 19.7246 19.7246 20.4343 20.4361 20.4686 20.4704 k = 0.0087 0.0150 0.5187 ( 660 PWs) bands (ev): -46.9888 -46.9888 -21.5228 -21.5228 -20.5823 -20.5823 -20.2201 -20.2201 2.7415 2.7415 9.5521 9.5521 14.9581 14.9585 14.9755 14.9758 17.4035 17.4037 17.4566 17.4567 19.7190 19.7190 20.4356 20.4363 20.4628 20.4635 k = 0.0043 0.0075 0.5187 ( 660 PWs) bands (ev): -46.9889 -46.9889 -21.5228 -21.5228 -20.5819 -20.5819 -20.2195 -20.2195 2.7411 2.7411 9.5484 9.5484 14.9630 14.9631 14.9804 14.9805 17.4050 17.4050 17.4569 17.4569 19.7155 19.7155 20.4352 20.4353 20.4605 20.4606 k = 0.0000 0.0000 0.5187 ( 660 PWs) bands (ev): -46.9890 -46.9890 -21.5229 -21.5229 -20.5818 -20.5818 -20.2193 -20.2193 2.7410 2.7410 9.5472 9.5472 14.9647 14.9647 14.9821 14.9821 17.4053 17.4053 17.4572 17.4572 19.7144 19.7144 20.4348 20.4348 20.4599 20.4599 k = 0.5000 0.2887 0.5187 ( 660 PWs) bands (ev): -46.9002 -46.9002 -21.5437 -21.5437 -20.8330 -20.8330 -20.4578 -20.4578 3.0563 3.0563 11.2088 11.2088 11.8898 11.8898 13.0387 13.0387 17.6233 17.6233 19.9723 19.9723 20.3777 20.3777 21.0404 21.0404 22.8161 22.8161 k = 0.5000 0.2887 0.5100 ( 658 PWs) bands (ev): -46.9003 -46.9003 -21.5437 -21.5434 -20.8331 -20.8328 -20.4578 -20.4578 3.0559 3.0565 11.2045 11.2079 11.8902 11.8954 13.0397 13.0398 17.6219 17.6226 19.9718 19.9723 20.3704 20.3781 21.0387 21.0470 22.8137 22.8144 k = 0.5000 0.2887 0.5014 ( 658 PWs) bands (ev): -46.9004 -46.9004 -21.5434 -21.5429 -20.8329 -20.8322 -20.4580 -20.4579 3.0552 3.0564 11.1953 11.2020 11.8966 11.9068 13.0431 13.0432 17.6184 17.6199 19.9709 19.9719 20.3565 20.3714 21.0421 21.0583 22.8072 22.8084 k = 0.5000 0.2887 0.4927 ( 658 PWs) bands (ev): -46.9007 -46.9007 -21.5428 -21.5421 -20.8324 -20.8315 -20.4581 -20.4580 3.0543 3.0560 11.1818 11.1912 11.9087 11.9233 13.0486 13.0489 17.6129 17.6150 19.9694 19.9709 20.3368 20.3581 21.0502 21.0736 22.7965 22.7984 k = 0.5000 0.2887 0.4841 ( 662 PWs) bands (ev): -46.9010 -46.9010 -21.5419 -21.5410 -20.8317 -20.8305 -20.4583 -20.4581 3.0531 3.0553 11.1645 11.1762 11.9259 11.9445 13.0564 13.0567 17.6053 17.6081 19.9675 19.9695 20.3119 20.3387 21.0626 21.0921 22.7818 22.7843 k = 0.5000 0.2887 0.4754 ( 654 PWs) bands (ev): -46.9014 -46.9014 -21.5408 -21.5397 -20.8308 -20.8292 -20.4586 -20.4583 3.0517 3.0544 11.1441 11.1576 11.9475 11.9697 13.0664 13.0668 17.5957 17.5993 19.9653 19.9677 20.2828 20.3142 21.0785 21.1132 22.7630 22.7661 k = 0.5000 0.2887 0.4668 ( 654 PWs) bands (ev): -46.9019 -46.9019 -21.5395 -21.5381 -20.8296 -20.8277 -20.4589 -20.4586 3.0500 3.0533 11.1212 11.1359 11.9730 11.9980 13.0786 13.0791 17.5840 17.5883 19.9624 19.9654 20.2501 20.2851 21.0972 21.1361 22.7402 22.7440 k = 0.5000 0.2887 0.4581 ( 656 PWs) bands (ev): -46.9026 -46.9026 -21.5379 -21.5362 -20.8281 -20.8259 -20.4593 -20.4589 3.0480 3.0518 11.0965 11.1120 12.0016 12.0291 13.0931 13.0936 17.5703 17.5753 19.9591 19.9625 20.2147 20.2525 21.1180 21.1603 22.7136 22.7180 k = 0.5000 0.2887 0.4495 ( 656 PWs) bands (ev): -46.9032 -46.9032 -21.5360 -21.5342 -20.8264 -20.8239 -20.4597 -20.4593 3.0457 3.0501 11.0703 11.0862 12.0328 12.0623 13.1097 13.1103 17.5545 17.5604 19.9554 19.9591 20.1772 20.2171 21.1404 21.1854 22.6831 22.6881 k = 0.5000 0.2887 0.4409 ( 656 PWs) bands (ev): -46.9040 -46.9040 -21.5340 -21.5319 -20.8245 -20.8217 -20.4601 -20.4596 3.0432 3.0481 11.0432 11.0592 12.0660 12.0971 13.1285 13.1291 17.5368 17.5434 19.9512 19.9551 20.1382 20.1796 21.1638 21.2109 22.6489 22.6546 k = 0.5000 0.2887 0.4322 ( 652 PWs) bands (ev): -46.9049 -46.9049 -21.5317 -21.5295 -20.8222 -20.8192 -20.4606 -20.4601 3.0405 3.0458 11.0154 11.0312 12.1009 12.1333 13.1494 13.1502 17.5171 17.5244 19.9466 19.9506 20.0983 20.1406 21.1878 21.2366 22.6112 22.6175 k = 0.5000 0.2887 0.4236 ( 656 PWs) bands (ev): -46.9059 -46.9059 -21.5293 -21.5268 -20.8197 -20.8164 -20.4611 -20.4605 3.0374 3.0433 10.9873 11.0026 12.1371 12.1705 13.1725 13.1733 17.4954 17.5035 19.9414 19.9452 20.0581 20.1006 21.2121 21.2621 22.5699 22.5769 k = 0.5000 0.2887 0.4149 ( 652 PWs) bands (ev): -46.9069 -46.9069 -21.5267 -21.5240 -20.8170 -20.8134 -20.4616 -20.4610 3.0341 3.0404 10.9590 10.9736 12.1742 12.2084 13.1977 13.1986 17.4717 17.4806 19.9359 19.9386 20.0185 20.0602 21.2364 21.2875 22.5254 22.5330 k = 0.5000 0.2887 0.4063 ( 652 PWs) bands (ev): -46.9080 -46.9080 -21.5240 -21.5211 -20.8140 -20.8101 -20.4621 -20.4614 3.0305 3.0373 10.9307 10.9446 12.2121 12.2469 13.2249 13.2259 17.4461 17.4557 19.9292 19.9299 19.9815 20.0199 21.2607 21.3124 22.4776 22.4858 k = 0.5000 0.2887 0.3976 ( 652 PWs) bands (ev): -46.9092 -46.9092 -21.5211 -21.5181 -20.8107 -20.8066 -20.4626 -20.4619 3.0267 3.0339 10.9025 10.9155 12.2506 12.2857 13.2542 13.2553 17.4185 17.4288 19.9120 19.9234 19.9524 19.9800 21.2846 21.3368 22.4267 22.4356 k = 0.5000 0.2887 0.3890 ( 652 PWs) bands (ev): -46.9104 -46.9104 -21.5182 -21.5150 -20.8072 -20.8028 -20.4631 -20.4623 3.0226 3.0302 10.8746 10.8866 12.2894 12.3247 13.2856 13.2867 17.3888 17.3999 19.8827 19.9165 19.9360 19.9410 21.3082 21.3606 22.3729 22.3825 k = 0.5000 0.2887 0.3803 ( 656 PWs) bands (ev): -46.9118 -46.9118 -21.5151 -21.5118 -20.8034 -20.7987 -20.4636 -20.4628 3.0182 3.0263 10.8470 10.8579 12.3285 12.3639 13.3189 13.3201 17.3572 17.3690 19.8481 19.9025 19.9098 19.9258 21.3312 21.3838 22.3163 22.3266 k = 0.5000 0.2887 0.3717 ( 656 PWs) bands (ev): -46.9131 -46.9131 -21.5120 -21.5085 -20.7993 -20.7945 -20.4641 -20.4632 3.0135 3.0220 10.8199 10.8296 12.3676 12.4030 13.3542 13.3555 17.3236 17.3361 19.8132 19.8666 19.9016 19.9172 21.3538 21.4063 22.2571 22.2681 k = 0.5000 0.2887 0.3631 ( 656 PWs) bands (ev): -46.9146 -46.9146 -21.5089 -21.5052 -20.7950 -20.7900 -20.4645 -20.4636 3.0086 3.0175 10.7932 10.8017 12.4069 12.4420 13.3914 13.3928 17.2880 17.3011 19.7795 19.8323 19.8934 19.9089 21.3757 21.4281 22.1955 22.2072 k = 0.5000 0.2887 0.3544 ( 656 PWs) bands (ev): -46.9161 -46.9161 -21.5057 -21.5019 -20.7905 -20.7852 -20.4649 -20.4639 3.0035 3.0127 10.7669 10.7742 12.4461 12.4808 13.4306 13.4320 17.2504 17.2641 19.7477 19.8002 19.8847 19.9005 21.3970 21.4492 22.1315 22.1440 k = 0.5000 0.2887 0.3458 ( 658 PWs) bands (ev): -46.9176 -46.9176 -21.5026 -21.4987 -20.7857 -20.7803 -20.4652 -20.4642 2.9980 3.0076 10.7412 10.7472 12.4851 12.5195 13.4715 13.4730 17.2108 17.2250 19.7182 19.7705 19.8756 19.8918 21.4176 21.4695 22.0655 22.0787 k = 0.5000 0.2887 0.3371 ( 662 PWs) bands (ev): -46.9193 -46.9193 -21.4994 -21.4954 -20.7807 -20.7752 -20.4654 -20.4644 2.9924 3.0022 10.7159 10.7207 12.5241 12.5579 13.5142 13.5158 17.1691 17.1839 19.6914 19.7436 19.8660 19.8828 21.4375 21.4891 21.9976 22.0116 k = 0.5000 0.2887 0.3285 ( 670 PWs) bands (ev): -46.9209 -46.9209 -21.4963 -21.4922 -20.7755 -20.7698 -20.4655 -20.4645 2.9865 2.9966 10.6912 10.6946 12.5629 12.5960 13.5587 13.5604 17.1256 17.1408 19.6675 19.7195 19.8559 19.8734 21.4568 21.5080 21.9278 21.9427 k = 0.5000 0.2887 0.3198 ( 670 PWs) bands (ev): -46.9226 -46.9226 -21.4933 -21.4891 -20.7702 -20.7644 -20.4655 -20.4645 2.9804 2.9908 10.6670 10.6692 12.6015 12.6339 13.6048 13.6066 17.0800 17.0956 19.6468 19.6987 19.8453 19.8636 21.4755 21.5262 21.8565 21.8723 k = 0.5000 0.2887 0.3112 ( 670 PWs) bands (ev): -46.9243 -46.9243 -21.4903 -21.4861 -20.7646 -20.7588 -20.4654 -20.4644 2.9740 2.9847 10.6432 10.6442 12.6399 12.6715 13.6526 13.6545 17.0326 17.0486 19.6292 19.6810 19.8343 19.8534 21.4935 21.5437 21.7838 21.8007 k = 0.5000 0.2887 0.3026 ( 672 PWs) bands (ev): -46.9261 -46.9261 -21.4874 -21.4831 -20.7590 -20.7530 -20.4652 -20.4641 2.9675 2.9783 10.6197 10.6200 12.6782 12.7089 13.7020 13.7040 16.9834 16.9996 19.6151 19.6668 19.8227 19.8427 21.5106 21.5606 21.7100 21.7281 k = 0.5000 0.2887 0.2939 ( 666 PWs) bands (ev): -46.9278 -46.9278 -21.4846 -21.4803 -20.7533 -20.7472 -20.4648 -20.4637 2.9608 2.9718 10.5958 10.5973 12.7163 12.7460 13.7529 13.7549 16.9324 16.9488 19.6044 19.6560 19.8106 19.8316 21.5266 21.5770 21.6352 21.6551 k = 0.5000 0.2887 0.2853 ( 666 PWs) bands (ev): -46.9296 -46.9296 -21.4819 -21.4776 -20.7474 -20.7414 -20.4642 -20.4631 2.9539 2.9650 10.5723 10.5750 12.7542 12.7830 13.8052 13.8073 16.8797 16.8962 19.5971 19.6486 19.7978 19.8199 21.5376 21.5593 21.5860 21.5930 k = 0.5000 0.2887 0.2766 ( 668 PWs) bands (ev): -46.9314 -46.9314 -21.4794 -21.4750 -20.7416 -20.7355 -20.4634 -20.4623 2.9468 2.9581 10.5494 10.5532 12.7920 12.8197 13.8588 13.8610 16.8255 16.8421 19.5932 19.6446 19.7844 19.8076 21.4832 21.4971 21.5672 21.6082 k = 0.5000 0.2887 0.2680 ( 668 PWs) bands (ev): -46.9332 -46.9332 -21.4769 -21.4726 -20.7357 -20.7297 -20.4624 -20.4613 2.9396 2.9510 10.5269 10.5318 12.8298 12.8564 13.9137 13.9160 16.7698 16.7864 19.5927 19.6440 19.7703 19.7948 21.4066 21.4244 21.5800 21.6231 k = 0.5000 0.2887 0.2593 ( 668 PWs) bands (ev): -46.9350 -46.9350 -21.4746 -21.4703 -20.7299 -20.7239 -20.4612 -20.4601 2.9323 2.9437 10.5049 10.5108 12.8675 12.8930 13.9698 13.9722 16.7128 16.7293 19.5954 19.6467 19.7555 19.7813 21.3300 21.3494 21.5946 21.6376 k = 0.5000 0.2887 0.2507 ( 668 PWs) bands (ev): -46.9368 -46.9368 -21.4724 -21.4682 -20.7241 -20.7182 -20.4597 -20.4586 2.9248 2.9363 10.4833 10.4902 12.9052 12.9295 14.0270 14.0295 16.6545 16.6710 19.6011 19.6525 19.7399 19.7672 21.2534 21.2742 21.6094 21.6518 k = 0.5000 0.2887 0.2420 ( 668 PWs) bands (ev): -46.9386 -46.9386 -21.4704 -21.4662 -20.7184 -20.7126 -20.4580 -20.4569 2.9173 2.9288 10.4623 10.4700 12.9429 12.9661 14.0853 14.0878 16.5953 16.6116 19.6096 19.6612 19.7235 19.7526 21.1772 21.1991 21.6241 21.6657 k = 0.5000 0.2887 0.2334 ( 668 PWs) bands (ev): -46.9404 -46.9404 -21.4685 -21.4643 -20.7129 -20.7072 -20.4560 -20.4550 2.9098 2.9212 10.4416 10.4502 12.9807 13.0027 14.1444 14.1470 16.5351 16.5512 19.6205 19.6724 19.7065 19.7375 21.1018 21.1247 21.6386 21.6794 k = 0.5000 0.2887 0.2248 ( 666 PWs) bands (ev): -46.9422 -46.9422 -21.4667 -21.4626 -20.7075 -20.7019 -20.4537 -20.4528 2.9022 2.9135 10.4215 10.4307 13.0186 13.0395 14.2043 14.2070 16.4741 16.4900 19.6328 19.6810 19.6938 19.7226 21.0273 21.0512 21.6531 21.6929 k = 0.5000 0.2887 0.2161 ( 666 PWs) bands (ev): -46.9440 -46.9440 -21.4650 -21.4610 -20.7024 -20.6969 -20.4512 -20.4503 2.8946 2.9058 10.4018 10.4117 13.0566 13.0763 14.2649 14.2676 16.4126 16.4281 19.6442 19.6658 19.7060 19.7099 20.9540 20.9789 21.6675 21.7063 k = 0.5000 0.2887 0.2075 ( 666 PWs) bands (ev): -46.9457 -46.9457 -21.4635 -21.4596 -20.6974 -20.6921 -20.4483 -20.4475 2.8870 2.8981 10.3826 10.3930 13.0948 13.1134 14.3260 14.3288 16.3506 16.3658 19.6451 19.6483 19.7053 19.7246 20.8824 20.9082 21.6819 21.7196 k = 0.5000 0.2887 0.1988 ( 666 PWs) bands (ev): -46.9474 -46.9474 -21.4621 -21.4583 -20.6928 -20.6876 -20.4453 -20.4445 2.8795 2.8904 10.3638 10.3747 13.1332 13.1506 14.3875 14.3904 16.2882 16.3031 19.6227 19.6390 19.7147 19.7455 20.8128 20.8393 21.6964 21.7329 k = 0.5000 0.2887 0.1902 ( 666 PWs) bands (ev): -46.9491 -46.9491 -21.4609 -21.4572 -20.6883 -20.6834 -20.4419 -20.4413 2.8720 2.8827 10.3456 10.3568 13.1717 13.1881 14.4492 14.4522 16.2258 16.2403 19.5986 19.6208 19.7331 19.7681 20.7454 20.7727 21.7109 21.7462 k = 0.5000 0.2887 0.1815 ( 662 PWs) bands (ev): -46.9507 -46.9507 -21.4597 -21.4562 -20.6842 -20.6795 -20.4384 -20.4378 2.8647 2.8751 10.3278 10.3394 13.2104 13.2257 14.5111 14.5141 16.1633 16.1774 19.5729 19.5980 19.7558 19.7921 20.6808 20.7086 21.7255 21.7596 k = 0.5000 0.2887 0.1729 ( 662 PWs) bands (ev): -46.9523 -46.9523 -21.4587 -21.4552 -20.6804 -20.6759 -20.4346 -20.4342 2.8574 2.8676 10.3106 10.3223 13.2493 13.2636 14.5728 14.5759 16.1010 16.1147 19.5454 19.5723 19.7807 19.8174 20.6192 20.6473 21.7402 21.7730 k = 0.5000 0.2887 0.1642 ( 662 PWs) bands (ev): -46.9538 -46.9538 -21.4578 -21.4545 -20.6768 -20.6726 -20.4307 -20.4303 2.8503 2.8602 10.2940 10.3058 13.2883 13.3017 14.6343 14.6374 16.0391 16.0523 19.5161 19.5441 19.8071 19.8434 20.5608 20.5891 21.7551 21.7865 k = 0.5000 0.2887 0.1556 ( 670 PWs) bands (ev): -46.9553 -46.9553 -21.4569 -21.4538 -20.6735 -20.6696 -20.4266 -20.4263 2.8434 2.8530 10.2780 10.2898 13.3274 13.3398 14.6952 14.6984 15.9776 15.9904 19.4850 19.5135 19.8343 19.8700 20.5061 20.5343 21.7701 21.8001 k = 0.5000 0.2887 0.1470 ( 670 PWs) bands (ev): -46.9567 -46.9567 -21.4562 -21.4532 -20.6706 -20.6668 -20.4225 -20.4222 2.8367 2.8460 10.2626 10.2742 13.3666 13.3781 14.7555 14.7588 15.9169 15.9292 19.4522 19.4808 19.8621 19.8968 20.4552 20.4831 21.7852 21.8138 k = 0.5000 0.2887 0.1383 ( 670 PWs) bands (ev): -46.9581 -46.9581 -21.4555 -21.4527 -20.6679 -20.6644 -20.4182 -20.4181 2.8303 2.8391 10.2478 10.2593 13.4057 13.4164 14.8149 14.8181 15.8570 15.8688 19.4177 19.4462 19.8901 19.9237 20.4084 20.4356 21.8005 21.8275 k = 0.5000 0.2887 0.1297 ( 674 PWs) bands (ev): -46.9594 -46.9594 -21.4550 -21.4522 -20.6654 -20.6622 -20.4140 -20.4139 2.8241 2.8325 10.2337 10.2449 13.4447 13.4545 14.8730 14.8763 15.7982 15.8095 19.3819 19.4098 19.9179 19.9502 20.3656 20.3919 21.8158 21.8413 k = 0.5000 0.2887 0.1210 ( 674 PWs) bands (ev): -46.9607 -46.9607 -21.4544 -21.4519 -20.6633 -20.6603 -20.4098 -20.4097 2.8182 2.8262 10.2203 10.2312 13.4833 13.4924 14.9297 14.9330 15.7407 15.7514 19.3451 19.3720 19.9453 19.9762 20.3269 20.3521 21.8311 21.8550 k = 0.5000 0.2887 0.1124 ( 674 PWs) bands (ev): -46.9619 -46.9619 -21.4540 -21.4516 -20.6613 -20.6586 -20.4056 -20.4056 2.8126 2.8201 10.2078 10.2182 13.5216 13.5299 14.9847 14.9879 15.6847 15.6949 19.3075 19.3332 19.9719 20.0013 20.2923 20.3160 21.8463 21.8686 k = 0.5000 0.2887 0.1037 ( 674 PWs) bands (ev): -46.9629 -46.9629 -21.4536 -21.4514 -20.6596 -20.6571 -20.4017 -20.4016 2.8073 2.8144 10.1960 10.2059 13.5592 13.5669 15.0376 15.0408 15.6305 15.6402 19.2696 19.2939 19.9976 20.0253 20.2615 20.2837 21.8614 21.8820 k = 0.5000 0.2887 0.0951 ( 670 PWs) bands (ev): -46.9640 -46.9640 -21.4533 -21.4512 -20.6581 -20.6558 -20.3978 -20.3977 2.8024 2.8090 10.1850 10.1944 13.5960 13.6030 15.0881 15.0912 15.5784 15.5875 19.2321 19.2547 20.0220 20.0480 20.2345 20.2549 21.8761 21.8951 k = 0.5000 0.2887 0.0864 ( 670 PWs) bands (ev): -46.9649 -46.9649 -21.4530 -21.4511 -20.6567 -20.6547 -20.3942 -20.3941 2.7979 2.8039 10.1749 10.1837 13.6316 13.6380 15.1358 15.1389 15.5287 15.5372 19.1952 19.2162 20.0449 20.0690 20.2111 20.2296 21.8905 21.9077 k = 0.5000 0.2887 0.0778 ( 664 PWs) bands (ev): -46.9657 -46.9657 -21.4527 -21.4510 -20.6556 -20.6537 -20.3907 -20.3906 2.7938 2.7992 10.1657 10.1738 13.6658 13.6716 15.1805 15.1836 15.4816 15.4896 19.1599 19.1789 20.0658 20.0881 20.1912 20.2076 21.9042 21.9198 k = 0.5000 0.2887 0.0692 ( 664 PWs) bands (ev): -46.9665 -46.9665 -21.4525 -21.4510 -20.6546 -20.6529 -20.3876 -20.3875 2.7901 2.7950 10.1575 10.1647 13.6982 13.7034 15.2217 15.2247 15.4378 15.4452 19.1263 19.1434 20.0843 20.1047 20.1750 20.1893 21.9173 21.9311 k = 0.5000 0.2887 0.0605 ( 664 PWs) bands (ev): -46.9672 -46.9672 -21.4523 -21.4510 -20.6537 -20.6523 -20.3847 -20.3846 2.7868 2.7911 10.1502 10.1566 13.7285 13.7330 15.2589 15.2621 15.3975 15.4045 19.0953 19.1103 20.0995 20.1179 20.1629 20.1750 21.9293 21.9414 k = 0.5000 0.2887 0.0519 ( 664 PWs) bands (ev): -46.9678 -46.9678 -21.4521 -21.4510 -20.6529 -20.6517 -20.3822 -20.3820 2.7840 2.7877 10.1438 10.1495 13.7561 13.7601 15.2915 15.2952 15.3613 15.3683 19.0673 19.0802 20.1096 20.1255 20.1565 20.1668 21.9404 21.9507 k = 0.5000 0.2887 0.0432 ( 664 PWs) bands (ev): -46.9683 -46.9683 -21.4519 -21.4510 -20.6523 -20.6513 -20.3800 -20.3798 2.7816 2.7848 10.1385 10.1433 13.7807 13.7840 15.3151 15.3216 15.3317 15.3411 19.0428 19.0536 20.1129 20.1256 20.1572 20.1664 21.9502 21.9588 k = 0.5000 0.2887 0.0346 ( 664 PWs) bands (ev): -46.9687 -46.9687 -21.4518 -21.4510 -20.6518 -20.6510 -20.3781 -20.3780 2.7797 2.7823 10.1343 10.1381 13.8017 13.8044 15.3019 15.3032 15.3486 15.3496 19.0223 19.0309 20.1112 20.1208 20.1627 20.1707 21.9585 21.9654 k = 0.5000 0.2887 0.0259 ( 660 PWs) bands (ev): -46.9690 -46.9690 -21.4517 -21.4511 -20.6514 -20.6508 -20.3767 -20.3766 2.7783 2.7802 10.1310 10.1339 13.8188 13.8208 15.2807 15.2826 15.3672 15.3673 19.0062 19.0127 20.1082 20.1151 20.1694 20.1758 21.9654 21.9706 k = 0.5000 0.2887 0.0173 ( 660 PWs) bands (ev): -46.9693 -46.9693 -21.4515 -21.4512 -20.6511 -20.6507 -20.3756 -20.3756 2.7774 2.7787 10.1288 10.1308 13.8314 13.8328 15.2653 15.2667 15.3807 15.3809 18.9947 18.9991 20.1058 20.1103 20.1752 20.1796 21.9707 21.9741 k = 0.5000 0.2887 0.0086 ( 660 PWs) bands (ev): -46.9694 -46.9694 -21.4514 -21.4513 -20.6508 -20.6507 -20.3750 -20.3750 2.7770 2.7776 10.1277 10.1287 13.8393 13.8399 15.2560 15.2568 15.3890 15.3891 18.9882 18.9904 20.1047 20.1069 20.1794 20.1816 21.9742 21.9759 k = 0.5000 0.2887-0.0000 ( 660 PWs) bands (ev): -46.9695 -46.9695 -21.4513 -21.4513 -20.6507 -20.6507 -20.3748 -20.3748 2.7771 2.7771 10.1277 10.1277 13.8421 13.8421 15.2532 15.2532 15.3918 15.3918 18.9867 18.9867 20.1050 20.1050 20.1815 20.1815 21.9759 21.9759 k = 0.3333 0.5774-0.0000 ( 672 PWs) bands (ev): -46.9577 -46.9577 -21.4554 -21.4093 -20.7361 -20.6735 -20.4332 -20.4211 3.0622 3.0952 11.4046 11.4107 12.0679 12.1067 13.8792 13.8875 17.9604 18.0081 18.1289 18.1574 18.7954 18.7999 19.3929 19.4502 22.8080 22.8339 k = 0.3333 0.5774 0.0086 ( 672 PWs) bands (ev): -46.9576 -46.9576 -21.4554 -21.4093 -20.7361 -20.6734 -20.4335 -20.4214 3.0623 3.0953 11.4062 11.4123 12.0666 12.1054 13.8769 13.8852 17.9427 17.9824 18.1571 18.1776 18.7961 18.8007 19.3945 19.4518 22.8067 22.8325 k = 0.3333 0.5774 0.0173 ( 666 PWs) bands (ev): -46.9575 -46.9575 -21.4555 -21.4094 -20.7359 -20.6732 -20.4344 -20.4223 3.0626 3.0955 11.4112 11.4173 12.0627 12.1014 13.8701 13.8784 17.9026 17.9335 18.2134 18.2252 18.7983 18.8029 19.3995 19.4566 22.8027 22.8285 k = 0.3333 0.5774 0.0259 ( 660 PWs) bands (ev): -46.9572 -46.9572 -21.4555 -21.4095 -20.7355 -20.6729 -20.4359 -20.4237 3.0631 3.0960 11.4195 11.4256 12.0562 12.0947 13.8588 13.8672 17.8548 17.8810 18.2782 18.2855 18.8020 18.8067 19.4076 19.4646 22.7960 22.8217 k = 0.3333 0.5774 0.0346 ( 657 PWs) bands (ev): -46.9569 -46.9569 -21.4555 -21.4097 -20.7350 -20.6725 -20.4379 -20.4258 3.0638 3.0966 11.4310 11.4372 12.0472 12.0854 13.8431 13.8515 17.8055 17.8290 18.3473 18.3523 18.8072 18.8120 19.4190 19.4757 22.7866 22.8123 k = 0.3333 0.5774 0.0432 ( 657 PWs) bands (ev): -46.9565 -46.9565 -21.4556 -21.4099 -20.7343 -20.6719 -20.4406 -20.4284 3.0648 3.0973 11.4458 11.4520 12.0356 12.0735 13.8231 13.8315 17.7566 17.7786 18.4194 18.4234 18.8137 18.8187 19.4334 19.4897 22.7747 22.8002 k = 0.3333 0.5774 0.0519 ( 657 PWs) bands (ev): -46.9560 -46.9560 -21.4557 -21.4101 -20.7335 -20.6713 -20.4438 -20.4315 3.0659 3.0982 11.4639 11.4700 12.0216 12.0590 13.7989 13.8073 17.7094 17.7304 18.4941 18.4977 18.8217 18.8270 19.4507 19.5066 22.7604 22.7857 k = 0.3333 0.5774 0.0605 ( 657 PWs) bands (ev): -46.9554 -46.9554 -21.4558 -21.4104 -20.7326 -20.6705 -20.4476 -20.4352 3.0672 3.0993 11.4851 11.4912 12.0052 12.0421 13.7707 13.7791 17.6640 17.6845 18.5710 18.5749 18.8312 18.8370 19.4708 19.5262 22.7436 22.7687 k = 0.3333 0.5774 0.0692 ( 657 PWs) bands (ev): -46.9547 -46.9547 -21.4560 -21.4108 -20.7316 -20.6696 -20.4519 -20.4395 3.0687 3.1005 11.5095 11.5156 11.9864 12.0228 13.7387 13.7472 17.6209 17.6411 18.6498 18.6546 18.8421 18.8486 19.4934 19.5484 22.7245 22.7493 k = 0.3333 0.5774 0.0778 ( 657 PWs) bands (ev): -46.9539 -46.9539 -21.4561 -21.4113 -20.7304 -20.6686 -20.4567 -20.4442 3.0704 3.1019 11.5369 11.5431 11.9654 12.0011 13.7030 13.7116 17.5801 17.6001 18.7297 18.7365 18.8543 18.8626 19.5186 19.5729 22.7033 22.7278 k = 0.3333 0.5774 0.0864 ( 657 PWs) bands (ev): -46.9531 -46.9531 -21.4563 -21.4118 -20.7290 -20.6675 -20.4621 -20.4494 3.0723 3.1034 11.5675 11.5736 11.9422 11.9773 13.6639 13.6726 17.5417 17.5616 18.8082 18.8206 18.8680 18.8815 19.5459 19.5995 22.6800 22.7042 k = 0.3333 0.5774 0.0951 ( 663 PWs) bands (ev): -46.9522 -46.9522 -21.4566 -21.4123 -20.7276 -20.6662 -20.4679 -20.4551 3.0743 3.1051 11.6010 11.6071 11.9170 11.9513 13.6217 13.6304 17.5057 17.5255 18.8682 18.8830 18.9065 18.9220 19.5752 19.6281 22.6548 22.6785 k = 0.3333 0.5774 0.1037 ( 663 PWs) bands (ev): -46.9512 -46.9512 -21.4569 -21.4130 -20.7260 -20.6649 -20.4742 -20.4613 3.0766 3.1069 11.6374 11.6435 11.8898 11.9233 13.5765 13.5854 17.4721 17.4919 18.8957 18.8993 18.9944 18.9981 19.6064 19.6584 22.6278 22.6511 k = 0.3333 0.5774 0.1124 ( 666 PWs) bands (ev): -46.9501 -46.9501 -21.4572 -21.4137 -20.7243 -20.6635 -20.4809 -20.4678 3.0790 3.1089 11.6767 11.6827 11.8608 11.8933 13.5285 13.5376 17.4409 17.4607 18.9162 18.9169 19.0840 19.0843 19.6391 19.6903 22.5992 22.6220 k = 0.3333 0.5774 0.1210 ( 666 PWs) bands (ev): -46.9489 -46.9489 -21.4576 -21.4145 -20.7225 -20.6619 -20.4880 -20.4748 3.0815 3.1110 11.7187 11.7244 11.8303 11.8616 13.4781 13.4874 17.4121 17.4319 18.9359 18.9363 19.1738 19.1753 19.6732 19.7234 22.5692 22.5914 k = 0.3333 0.5774 0.1297 ( 666 PWs) bands (ev): -46.9477 -46.9477 -21.4581 -21.4154 -20.7206 -20.6603 -20.4955 -20.4821 3.0842 3.1132 11.7634 11.7671 11.7998 11.8283 13.4255 13.4350 17.3855 17.4054 18.9561 18.9571 19.2653 19.2680 19.7085 19.7576 22.5379 22.5595 k = 0.3333 0.5774 0.1383 ( 666 PWs) bands (ev): -46.9464 -46.9464 -21.4586 -21.4164 -20.7185 -20.6586 -20.5033 -20.4898 3.0871 3.1155 11.7615 11.7934 11.8107 11.8189 13.3708 13.3806 17.3613 17.3812 18.9775 18.9789 19.3585 19.3623 19.7446 19.7927 22.5054 22.5263 k = 0.3333 0.5774 0.1470 ( 666 PWs) bands (ev): -46.9451 -46.9451 -21.4592 -21.4175 -20.7164 -20.6568 -20.5115 -20.4977 3.0901 3.1179 11.7270 11.7570 11.8605 11.8677 13.3145 13.3245 17.3392 17.3592 19.0001 19.0017 19.4532 19.4579 19.7816 19.8284 22.4720 22.4922 k = 0.3333 0.5774 0.1556 ( 666 PWs) bands (ev): -46.9436 -46.9436 -21.4599 -21.4187 -20.7142 -20.6549 -20.5199 -20.5060 3.0932 3.1204 11.6906 11.7194 11.9126 11.9197 13.2566 13.2669 17.3193 17.3393 19.0239 19.0256 19.5492 19.5547 19.8190 19.8645 22.4378 22.4572 k = 0.3333 0.5774 0.1642 ( 666 PWs) bands (ev): -46.9422 -46.9422 -21.4607 -21.4200 -20.7119 -20.6530 -20.5286 -20.5144 3.0965 3.1231 11.6530 11.6807 11.9670 11.9740 13.1974 13.2081 17.3015 17.3215 19.0487 19.0506 19.6464 19.6526 19.8568 19.9008 22.4030 22.4214 k = 0.3333 0.5774 0.1729 ( 666 PWs) bands (ev): -46.9406 -46.9406 -21.4616 -21.4215 -20.7095 -20.6510 -20.5375 -20.5231 3.0998 3.1258 11.6144 11.6410 12.0235 12.0306 13.1372 13.1482 17.2856 17.3057 19.0746 19.0766 19.7448 19.7514 19.8950 19.9372 22.3677 22.3852 k = 0.3333 0.5774 0.1815 ( 666 PWs) bands (ev): -46.9391 -46.9391 -21.4625 -21.4230 -20.7071 -20.6489 -20.5466 -20.5320 3.1033 3.1286 11.5748 11.6004 12.0820 12.0891 13.0761 13.0875 17.2716 17.2918 19.1016 19.1036 19.8443 19.8506 19.9338 19.9734 22.3322 22.3486 k = 0.3333 0.5774 0.1902 ( 666 PWs) bands (ev): -46.9375 -46.9375 -21.4636 -21.4247 -20.7045 -20.6468 -20.5558 -20.5410 3.1069 3.1314 11.5345 11.5590 12.1425 12.1496 13.0143 13.0261 17.2595 17.2798 19.1294 19.1316 19.9448 19.9451 19.9779 20.0092 22.2965 22.3118 k = 0.3333 0.5774 0.1988 ( 666 PWs) bands (ev): -46.9358 -46.9358 -21.4648 -21.4265 -20.7020 -20.6446 -20.5651 -20.5501 3.1105 3.1343 11.4937 11.5171 12.2046 12.2118 12.9521 12.9644 17.2491 17.2695 19.1582 19.1604 20.0013 20.0445 20.0461 20.0608 22.2610 22.2749 k = 0.3333 0.5774 0.2075 ( 666 PWs) bands (ev): -46.9341 -46.9341 -21.4662 -21.4285 -20.6993 -20.6424 -20.5745 -20.5592 3.1142 3.1373 11.4523 11.4747 12.2683 12.2757 12.8897 12.9024 17.2404 17.2608 19.1879 19.1901 20.0397 20.0792 20.1482 20.1616 22.2256 22.2382 k = 0.3333 0.5774 0.2161 ( 666 PWs) bands (ev): -46.9324 -46.9324 -21.4676 -21.4305 -20.6966 -20.6401 -20.5840 -20.5684 3.1180 3.1403 11.4106 11.4319 12.3335 12.3409 12.8272 12.8404 17.2333 17.2537 19.2183 19.2205 20.0758 20.1129 20.2511 20.2646 22.1907 22.2018 k = 0.3333 0.5774 0.2248 ( 651 PWs) bands (ev): -46.9306 -46.9306 -21.4692 -21.4328 -20.6939 -20.6378 -20.5934 -20.5776 3.1219 3.1434 11.3688 11.3890 12.4000 12.4076 12.7648 12.7785 17.2276 17.2481 19.2495 19.2517 20.1108 20.1458 20.3547 20.3687 22.1564 22.1660 k = 0.3333 0.5774 0.2334 ( 651 PWs) bands (ev): -46.9288 -46.9288 -21.4709 -21.4351 -20.6911 -20.6355 -20.6029 -20.5868 3.1257 3.1465 11.3267 11.3460 12.4674 12.4753 12.7028 12.7168 17.2233 17.2439 19.2814 19.2835 20.1446 20.1774 20.4588 20.4733 22.1227 22.1306 k = 0.3333 0.5774 0.2420 ( 651 PWs) bands (ev): -46.9271 -46.9271 -21.4727 -21.4376 -20.6884 -20.6332 -20.6123 -20.5959 3.1296 3.1496 11.2847 11.3030 12.5352 12.5440 12.6419 12.6556 17.2204 17.2410 19.3138 19.3160 20.1770 20.2077 20.5634 20.5785 22.0899 22.0960 k = 0.3333 0.5774 0.2507 ( 657 PWs) bands (ev): -46.9253 -46.9253 -21.4746 -21.4403 -20.6856 -20.6308 -20.6215 -20.6049 3.1336 3.1527 11.2429 11.2601 12.5741 12.5950 12.6111 12.6135 17.2186 17.2393 19.3466 19.3488 20.2082 20.2366 20.6684 20.6841 22.0580 22.0622 k = 0.3333 0.5774 0.2593 ( 657 PWs) bands (ev): -46.9235 -46.9235 -21.4767 -21.4430 -20.6828 -20.6307 -20.6284 -20.6138 3.1375 3.1558 11.2012 11.2175 12.5176 12.5351 12.6772 12.6836 17.2179 17.2387 19.3800 19.3822 20.2378 20.2640 20.7737 20.7900 22.0274 22.0295 k = 0.3333 0.5774 0.2680 ( 657 PWs) bands (ev): -46.9217 -46.9217 -21.4789 -21.4459 -20.6799 -20.6397 -20.6261 -20.6225 3.1415 3.1589 11.1600 11.1752 12.4583 12.4761 12.7473 12.7542 17.2183 17.2392 19.4137 19.4159 20.2660 20.2898 20.8793 20.8962 21.9980 21.9980 k = 0.3333 0.5774 0.2766 ( 651 PWs) bands (ev): -46.9199 -46.9199 -21.4813 -21.4490 -20.6771 -20.6486 -20.6311 -20.6237 3.1454 3.1620 11.1192 11.1335 12.3998 12.4180 12.8179 12.8251 17.2196 17.2406 19.4478 19.4499 20.2925 20.3138 20.9850 21.0025 21.9678 21.9700 k = 0.3333 0.5774 0.2853 ( 651 PWs) bands (ev): -46.9181 -46.9181 -21.4837 -21.4521 -20.6744 -20.6572 -20.6394 -20.6214 3.1493 3.1651 11.0789 11.0923 12.3423 12.3611 12.8886 12.8960 17.2218 17.2429 19.4819 19.4841 20.3173 20.3361 21.0908 21.1088 21.9389 21.9435 k = 0.3333 0.5774 0.2939 ( 651 PWs) bands (ev): -46.9164 -46.9164 -21.4863 -21.4553 -20.6716 -20.6657 -20.6476 -20.6190 3.1532 3.1681 11.0394 11.0518 12.2859 12.3053 12.9593 12.9668 17.2247 17.2460 19.5162 19.5183 20.3404 20.3565 21.1966 21.2150 21.9117 21.9186 k = 0.3333 0.5774 0.3026 ( 651 PWs) bands (ev): -46.9146 -46.9146 -21.4889 -21.4587 -20.6739 -20.6688 -20.6555 -20.6167 3.1570 3.1711 11.0005 11.0120 12.2309 12.2509 13.0297 13.0373 17.2284 17.2497 19.5504 19.5525 20.3616 20.3750 21.3022 21.3209 21.8860 21.8954 k = 0.3333 0.5774 0.3112 ( 651 PWs) bands (ev): -46.9129 -46.9129 -21.4917 -21.4621 -20.6818 -20.6661 -20.6631 -20.6145 3.1608 3.1741 10.9625 10.9732 12.1772 12.1980 13.0995 13.1073 17.2326 17.2540 19.5845 19.5866 20.3810 20.3916 21.4076 21.4265 21.8621 21.8739 k = 0.3333 0.5774 0.3198 ( 657 PWs) bands (ev): -46.9112 -46.9112 -21.4945 -21.4656 -20.6894 -20.6705 -20.6635 -20.6122 3.1645 3.1769 10.9254 10.9353 12.1251 12.1465 13.1686 13.1765 17.2373 17.2589 19.6184 19.6205 20.3984 20.4063 21.5125 21.5314 21.8402 21.8541 k = 0.3333 0.5774 0.3285 ( 651 PWs) bands (ev): -46.9095 -46.9095 -21.4974 -21.4691 -20.6968 -20.6776 -20.6609 -20.6100 3.1682 3.1798 10.8894 10.8984 12.0745 12.0967 13.2369 13.2449 17.2426 17.2643 19.6520 19.6542 20.4140 20.4191 21.6170 21.6351 21.8207 21.8362 k = 0.3333 0.5774 0.3371 ( 651 PWs) bands (ev): -46.9079 -46.9079 -21.5004 -21.4727 -20.7038 -20.6843 -20.6583 -20.6079 3.1717 3.1825 10.8544 10.8626 12.0257 12.0485 13.3039 13.3120 17.2482 17.2699 19.6852 19.6873 20.4278 20.4301 21.7208 21.7337 21.8074 21.8199 k = 0.3333 0.5774 0.3458 ( 651 PWs) bands (ev): -46.9063 -46.9063 -21.5034 -21.4763 -20.7105 -20.6908 -20.6558 -20.6058 3.1752 3.1852 10.8205 10.8280 11.9786 12.0021 13.3697 13.3779 17.2540 17.2759 19.7178 19.7200 20.4393 20.4397 21.7736 21.8055 21.8237 21.8536 k = 0.3333 0.5774 0.3544 ( 651 PWs) bands (ev): -46.9048 -46.9048 -21.5064 -21.4799 -20.7169 -20.6970 -20.6534 -20.6038 3.1786 3.1878 10.7879 10.7947 11.9334 11.9575 13.4339 13.4422 17.2601 17.2821 19.7498 19.7521 20.4469 20.4499 21.7629 21.7927 21.9257 21.9511 k = 0.3333 0.5774 0.3631 ( 651 PWs) bands (ev): -46.9033 -46.9033 -21.5094 -21.4835 -20.7230 -20.7028 -20.6511 -20.6018 3.1818 3.1903 10.7566 10.7627 11.8901 11.9149 13.4963 13.5047 17.2663 17.2884 19.7811 19.7833 20.4528 20.4584 21.7503 21.7815 22.0264 22.0509 k = 0.3333 0.5774 0.3717 ( 645 PWs) bands (ev): -46.9019 -46.9019 -21.5124 -21.4870 -20.7287 -20.7083 -20.6488 -20.5999 3.1849 3.1927 10.7266 10.7321 11.8488 11.8742 13.5568 13.5653 17.2726 17.2949 19.8115 19.8138 20.4573 20.4654 21.7387 21.7719 22.1257 22.1500 k = 0.3333 0.5774 0.3803 ( 651 PWs) bands (ev): -46.9005 -46.9005 -21.5154 -21.4905 -20.7341 -20.7135 -20.6467 -20.5981 3.1879 3.1950 10.6981 10.7029 11.8095 11.8355 13.6151 13.6237 17.2788 17.3012 19.8409 19.8433 20.4605 20.4709 21.7283 21.7637 22.2232 22.2474 k = 0.3333 0.5774 0.3890 ( 651 PWs) bands (ev): -46.8992 -46.8992 -21.5183 -21.4939 -20.7391 -20.7183 -20.6446 -20.5964 3.1908 3.1971 10.6710 10.6752 11.7723 11.7989 13.6710 13.6797 17.2851 17.3076 19.8692 19.8716 20.4625 20.4751 21.7193 21.7568 22.3188 22.3430 k = 0.3333 0.5774 0.3976 ( 648 PWs) bands (ev): -46.8980 -46.8980 -21.5211 -21.4972 -20.7438 -20.7228 -20.6427 -20.5947 3.1935 3.1992 10.6454 10.6491 11.7373 11.7645 13.7244 13.7332 17.2913 17.3139 19.8963 19.8989 20.4635 20.4781 21.7115 21.7511 22.4120 22.4362 k = 0.3333 0.5774 0.4063 ( 648 PWs) bands (ev): -46.8968 -46.8968 -21.5239 -21.5004 -20.7482 -20.7270 -20.6408 -20.5932 3.1961 3.2012 10.6214 10.6246 11.7045 11.7322 13.7751 13.7839 17.2972 17.3199 19.9221 19.9247 20.4636 20.4801 21.7050 21.7464 22.5026 22.5267 k = 0.3333 0.5774 0.4149 ( 648 PWs) bands (ev): -46.8957 -46.8957 -21.5265 -21.5034 -20.7522 -20.7309 -20.6391 -20.5917 3.1984 3.2030 10.5990 10.6017 11.6739 11.7022 13.8228 13.8317 17.3030 17.3258 19.9465 19.9492 20.4630 20.4812 21.6995 21.7427 22.5900 22.6141 k = 0.3333 0.5774 0.4236 ( 648 PWs) bands (ev): -46.8947 -46.8947 -21.5290 -21.5063 -20.7559 -20.7344 -20.6375 -20.5904 3.2007 3.2047 10.5782 10.5805 11.6457 11.6744 13.8674 13.8764 17.3085 17.3314 19.9693 19.9721 20.4619 20.4816 21.6950 21.7398 22.6739 22.6979 k = 0.3333 0.5774 0.4322 ( 648 PWs) bands (ev): -46.8937 -46.8937 -21.5314 -21.5090 -20.7592 -20.7376 -20.6360 -20.5891 3.2027 3.2062 10.5591 10.5610 11.6198 11.6490 13.9087 13.9178 17.3137 17.3367 19.9905 19.9935 20.4603 20.4814 21.6913 21.7376 22.7537 22.7775 k = 0.3333 0.5774 0.4409 ( 654 PWs) bands (ev): -46.8929 -46.8929 -21.5336 -21.5115 -20.7622 -20.7405 -20.6347 -20.5880 3.2046 3.2076 10.5417 10.5432 11.5962 11.6258 13.9466 13.9557 17.3185 17.3416 20.0099 20.0131 20.4584 20.4807 21.6883 21.7360 22.8288 22.8525 k = 0.3333 0.5774 0.4495 ( 654 PWs) bands (ev): -46.8921 -46.8921 -21.5356 -21.5138 -20.7649 -20.7431 -20.6334 -20.5870 3.2063 3.2089 10.5261 10.5273 11.5751 11.6051 13.9809 13.9901 17.3229 17.3461 20.0276 20.0309 20.4565 20.4797 21.6860 21.7348 22.8986 22.9221 k = 0.3333 0.5774 0.4581 ( 654 PWs) bands (ev): -46.8914 -46.8914 -21.5374 -21.5159 -20.7672 -20.7453 -20.6324 -20.5860 3.2078 3.2100 10.5122 10.5132 11.5564 11.5867 14.0116 14.0208 17.3269 17.3501 20.0433 20.0468 20.4545 20.4786 21.6842 21.7340 22.9626 22.9859 k = 0.3333 0.5774 0.4668 ( 654 PWs) bands (ev): -46.8908 -46.8908 -21.5390 -21.5177 -20.7693 -20.7473 -20.6314 -20.5853 3.2091 3.2110 10.5002 10.5009 11.5401 11.5707 14.0383 14.0476 17.3304 17.3537 20.0572 20.0608 20.4526 20.4773 21.6829 21.7335 23.0199 23.0431 k = 0.3333 0.5774 0.4754 ( 654 PWs) bands (ev): -46.8903 -46.8903 -21.5404 -21.5193 -20.7710 -20.7489 -20.6306 -20.5846 3.2102 3.2119 10.4900 10.4904 11.5263 11.5571 14.0612 14.0705 17.3334 17.3568 20.0690 20.0727 20.4508 20.4761 21.6818 21.7333 23.0700 23.0929 k = 0.3333 0.5774 0.4841 ( 654 PWs) bands (ev): -46.8899 -46.8899 -21.5415 -21.5205 -20.7724 -20.7503 -20.6299 -20.5840 3.2111 3.2126 10.4816 10.4819 11.5149 11.5460 14.0800 14.0894 17.3360 17.3594 20.0787 20.0825 20.4493 20.4750 21.6811 21.7331 23.1121 23.1348 k = 0.3333 0.5774 0.4927 ( 654 PWs) bands (ev): -46.8895 -46.8895 -21.5424 -21.5216 -20.7735 -20.7513 -20.6294 -20.5836 3.2119 3.2131 10.4750 10.4752 11.5061 11.5373 14.0947 14.1041 17.3379 17.3614 20.0863 20.0903 20.4480 20.4741 21.6806 21.7330 23.1456 23.1681 k = 0.3333 0.5774 0.5014 ( 654 PWs) bands (ev): -46.8893 -46.8893 -21.5430 -21.5223 -20.7742 -20.7521 -20.6291 -20.5833 3.2124 3.2135 10.4703 10.4704 11.4998 11.5312 14.1053 14.1147 17.3393 17.3628 20.0917 20.0958 20.4471 20.4734 21.6802 21.7330 23.1700 23.1924 k = 0.3333 0.5774 0.5100 ( 651 PWs) bands (ev): -46.8892 -46.8892 -21.5434 -21.5227 -20.7747 -20.7525 -20.6288 -20.5831 3.2127 3.2137 10.4675 10.4675 11.4960 11.5274 14.1117 14.1211 17.3402 17.3637 20.0951 20.0992 20.4465 20.4730 21.6801 21.7330 23.1848 23.2071 k = 0.3333 0.5774 0.5187 ( 648 PWs) bands (ev): -46.8891 -46.8891 -21.5436 -21.5229 -20.7748 -20.7527 -20.6288 -20.5830 3.2128 3.2138 10.4666 10.4666 11.4948 11.5262 14.1138 14.1232 17.3405 17.3640 20.0962 20.1003 20.4463 20.4729 21.6800 21.7330 23.1897 23.2120 Writing output data file VN.save init_run : 2.09s CPU 13.44s WALL ( 1 calls) electrons : 152.42s CPU 157.53s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.27s CPU 1.40s WALL ( 1 calls) Called by electrons: c_bands : 152.41s CPU 157.27s WALL ( 1 calls) v_of_rho : 0.11s CPU 0.80s WALL ( 1 calls) v_h : 0.03s CPU 0.04s WALL ( 1 calls) v_xc : 0.07s CPU 0.44s WALL ( 1 calls) newd : 0.09s CPU 0.46s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.03s WALL ( 553 calls) cegterg : 107.40s CPU 108.31s WALL ( 553 calls) Called by sum_band: Called by *egterg: h_psi : 55.31s CPU 59.08s WALL ( 8665 calls) s_psi : 3.50s CPU 4.34s WALL ( 8665 calls) g_psi : 0.01s CPU 0.08s WALL ( 7559 calls) cdiaghg : 34.85s CPU 34.08s WALL ( 8112 calls) cegterg:over : 11.14s CPU 9.14s WALL ( 7559 calls) cegterg:upda : 0.19s CPU 0.79s WALL ( 7559 calls) cegterg:last : 0.20s CPU 0.66s WALL ( 2212 calls) Called by h_psi: h_psi:vloc : 46.60s CPU 50.56s WALL ( 8665 calls) h_psi:vnl : 8.69s CPU 8.46s WALL ( 8665 calls) add_vuspsi : 1.21s CPU 2.81s WALL ( 8665 calls) General routines calbec : 7.47s CPU 5.53s WALL ( 8665 calls) fft : 0.24s CPU 1.23s WALL ( 19 calls) ffts : 0.00s CPU 0.05s WALL ( 4 calls) fftw : 44.49s CPU 47.72s WALL ( 721104 calls) interpolate : 0.07s CPU 0.13s WALL ( 4 calls) davcio : 0.02s CPU 2.85s WALL ( 1106 calls) Parallel routines fft_scatter : 33.39s CPU 35.83s WALL ( 721127 calls) PWSCF : 3m 8.16s CPU 6m33.48s WALL This run was terminated on: 17:37:49 30Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=