Program PWSCF v.5.1.1 starts on 30Jul2015 at 17:33: 3 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: ./WN2.save/ 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 16 9 3 492 223 37 Max 17 10 4 500 236 43 Sum 769 475 151 23817 11009 1921 bravais-lattice index = 14 lattice parameter (alat) = 5.5237 a.u. unit-cell volume = 195.1868 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 2 number of electrons = 24.00 number of Kohn-Sham states= 32 kinetic-energy cutoff = 56.0000 Ry charge density cutoff = 374.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.523669 celldm(2)= 1.000000 celldm(3)= 1.337325 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 1.337325 ) 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 0.747762 ) PseudoPot. # 1 for W read from file: /home/autes/Pseudo/W.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 434a31466ac5fb6822520d5f43d3a35f Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1273 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for 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 atomic species valence mass pseudopotential W 14.00 183.84000 W( 1.00) N 5.00 14.00670 N( 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= 474 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021097 k( 2) = ( 0.0079365 0.0045821 -0.0000000), wk = 0.0021097 k( 3) = ( 0.0158730 0.0091643 -0.0000000), wk = 0.0021097 k( 4) = ( 0.0238095 0.0137464 -0.0000000), wk = 0.0021097 k( 5) = ( 0.0317460 0.0183286 -0.0000000), wk = 0.0021097 k( 6) = ( 0.0396825 0.0229107 -0.0000000), wk = 0.0021097 k( 7) = ( 0.0476191 0.0274929 -0.0000000), wk = 0.0021097 k( 8) = ( 0.0555556 0.0320750 -0.0000000), wk = 0.0021097 k( 9) = ( 0.0634921 0.0366572 -0.0000000), wk = 0.0021097 k( 10) = ( 0.0714286 0.0412393 -0.0000000), wk = 0.0021097 k( 11) = ( 0.0793651 0.0458215 -0.0000000), wk = 0.0021097 k( 12) = ( 0.0873016 0.0504036 -0.0000000), wk = 0.0021097 k( 13) = ( 0.0952381 0.0549857 -0.0000000), wk = 0.0021097 k( 14) = ( 0.1031746 0.0595679 -0.0000000), wk = 0.0021097 k( 15) = ( 0.1111111 0.0641500 -0.0000000), wk = 0.0021097 k( 16) = ( 0.1190476 0.0687322 -0.0000000), wk = 0.0021097 k( 17) = ( 0.1269841 0.0733143 -0.0000000), wk = 0.0021097 k( 18) = ( 0.1349206 0.0778965 -0.0000000), wk = 0.0021097 k( 19) = ( 0.1428571 0.0824786 -0.0000000), wk = 0.0021097 k( 20) = ( 0.1507937 0.0870608 -0.0000000), wk = 0.0021097 k( 21) = ( 0.1587302 0.0916429 -0.0000000), wk = 0.0021097 k( 22) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0021097 k( 23) = ( 0.1746032 0.1008072 -0.0000000), wk = 0.0021097 k( 24) = ( 0.1825397 0.1053893 -0.0000000), wk = 0.0021097 k( 25) = ( 0.1904762 0.1099715 -0.0000000), wk = 0.0021097 k( 26) = ( 0.1984127 0.1145536 -0.0000000), wk = 0.0021097 k( 27) = ( 0.2063492 0.1191358 -0.0000000), wk = 0.0021097 k( 28) = ( 0.2142857 0.1237179 -0.0000000), wk = 0.0021097 k( 29) = ( 0.2222222 0.1283001 -0.0000000), wk = 0.0021097 k( 30) = ( 0.2301587 0.1328822 -0.0000000), wk = 0.0021097 k( 31) = ( 0.2380952 0.1374644 -0.0000000), wk = 0.0021097 k( 32) = ( 0.2460317 0.1420465 -0.0000000), wk = 0.0021097 k( 33) = ( 0.2539683 0.1466286 -0.0000000), wk = 0.0021097 k( 34) = ( 0.2619048 0.1512108 -0.0000000), wk = 0.0021097 k( 35) = ( 0.2698413 0.1557929 -0.0000000), wk = 0.0021097 k( 36) = ( 0.2777778 0.1603751 -0.0000000), wk = 0.0021097 k( 37) = ( 0.2857143 0.1649572 -0.0000000), wk = 0.0021097 k( 38) = ( 0.2936508 0.1695394 -0.0000000), wk = 0.0021097 k( 39) = ( 0.3015873 0.1741215 -0.0000000), wk = 0.0021097 k( 40) = ( 0.3095238 0.1787037 -0.0000000), wk = 0.0021097 k( 41) = ( 0.3174603 0.1832858 -0.0000000), wk = 0.0021097 k( 42) = ( 0.3253968 0.1878679 -0.0000000), wk = 0.0021097 k( 43) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0021097 k( 44) = ( 0.3412698 0.1970322 -0.0000000), wk = 0.0021097 k( 45) = ( 0.3492063 0.2016144 -0.0000000), wk = 0.0021097 k( 46) = ( 0.3571429 0.2061965 -0.0000000), wk = 0.0021097 k( 47) = ( 0.3650794 0.2107787 -0.0000000), wk = 0.0021097 k( 48) = ( 0.3730159 0.2153608 -0.0000000), wk = 0.0021097 k( 49) = ( 0.3809524 0.2199430 -0.0000000), wk = 0.0021097 k( 50) = ( 0.3888889 0.2245251 -0.0000000), wk = 0.0021097 k( 51) = ( 0.3968254 0.2291073 -0.0000000), wk = 0.0021097 k( 52) = ( 0.4047619 0.2336894 -0.0000000), wk = 0.0021097 k( 53) = ( 0.4126984 0.2382715 -0.0000000), wk = 0.0021097 k( 54) = ( 0.4206349 0.2428537 -0.0000000), wk = 0.0021097 k( 55) = ( 0.4285714 0.2474358 -0.0000000), wk = 0.0021097 k( 56) = ( 0.4365079 0.2520180 -0.0000000), wk = 0.0021097 k( 57) = ( 0.4444444 0.2566001 -0.0000000), wk = 0.0021097 k( 58) = ( 0.4523810 0.2611823 -0.0000000), wk = 0.0021097 k( 59) = ( 0.4603175 0.2657644 -0.0000000), wk = 0.0021097 k( 60) = ( 0.4682540 0.2703466 -0.0000000), wk = 0.0021097 k( 61) = ( 0.4761905 0.2749287 -0.0000000), wk = 0.0021097 k( 62) = ( 0.4841270 0.2795108 -0.0000000), wk = 0.0021097 k( 63) = ( 0.4920635 0.2840930 -0.0000000), wk = 0.0021097 k( 64) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0021097 k( 65) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0021097 k( 66) = ( 0.4953704 0.2966939 -0.0000000), wk = 0.0021097 k( 67) = ( 0.4907407 0.3047126 -0.0000000), wk = 0.0021097 k( 68) = ( 0.4861111 0.3127314 -0.0000000), wk = 0.0021097 k( 69) = ( 0.4814815 0.3207502 -0.0000000), wk = 0.0021097 k( 70) = ( 0.4768519 0.3287689 -0.0000000), wk = 0.0021097 k( 71) = ( 0.4722222 0.3367877 -0.0000000), wk = 0.0021097 k( 72) = ( 0.4675926 0.3448064 -0.0000000), wk = 0.0021097 k( 73) = ( 0.4629630 0.3528252 -0.0000000), wk = 0.0021097 k( 74) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0021097 k( 75) = ( 0.4537037 0.3688627 -0.0000000), wk = 0.0021097 k( 76) = ( 0.4490741 0.3768814 -0.0000000), wk = 0.0021097 k( 77) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0021097 k( 78) = ( 0.4398148 0.3929189 -0.0000000), wk = 0.0021097 k( 79) = ( 0.4351852 0.4009377 -0.0000000), wk = 0.0021097 k( 80) = ( 0.4305556 0.4089564 -0.0000000), wk = 0.0021097 k( 81) = ( 0.4259259 0.4169752 -0.0000000), wk = 0.0021097 k( 82) = ( 0.4212963 0.4249940 -0.0000000), wk = 0.0021097 k( 83) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0021097 k( 84) = ( 0.4120370 0.4410315 -0.0000000), wk = 0.0021097 k( 85) = ( 0.4074074 0.4490502 -0.0000000), wk = 0.0021097 k( 86) = ( 0.4027778 0.4570690 -0.0000000), wk = 0.0021097 k( 87) = ( 0.3981481 0.4650877 -0.0000000), wk = 0.0021097 k( 88) = ( 0.3935185 0.4731065 -0.0000000), wk = 0.0021097 k( 89) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0021097 k( 90) = ( 0.3842593 0.4891440 -0.0000000), wk = 0.0021097 k( 91) = ( 0.3796296 0.4971627 -0.0000000), wk = 0.0021097 k( 92) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0021097 k( 93) = ( 0.3703704 0.5132002 -0.0000000), wk = 0.0021097 k( 94) = ( 0.3657407 0.5212190 -0.0000000), wk = 0.0021097 k( 95) = ( 0.3611111 0.5292377 -0.0000000), wk = 0.0021097 k( 96) = ( 0.3564815 0.5372565 -0.0000000), wk = 0.0021097 k( 97) = ( 0.3518519 0.5452753 -0.0000000), wk = 0.0021097 k( 98) = ( 0.3472222 0.5532940 -0.0000000), wk = 0.0021097 k( 99) = ( 0.3425926 0.5613128 -0.0000000), wk = 0.0021097 k( 100) = ( 0.3379630 0.5693315 -0.0000000), wk = 0.0021097 k( 101) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0021097 k( 102) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0021097 k( 103) = ( 0.3287037 0.5693315 -0.0000000), wk = 0.0021097 k( 104) = ( 0.3240741 0.5613128 -0.0000000), wk = 0.0021097 k( 105) = ( 0.3194444 0.5532940 -0.0000000), wk = 0.0021097 k( 106) = ( 0.3148148 0.5452752 -0.0000000), wk = 0.0021097 k( 107) = ( 0.3101852 0.5372565 -0.0000000), wk = 0.0021097 k( 108) = ( 0.3055556 0.5292378 -0.0000000), wk = 0.0021097 k( 109) = ( 0.3009259 0.5212190 -0.0000000), wk = 0.0021097 k( 110) = ( 0.2962963 0.5132002 -0.0000000), wk = 0.0021097 k( 111) = ( 0.2916667 0.5051815 -0.0000000), wk = 0.0021097 k( 112) = ( 0.2870370 0.4971627 -0.0000000), wk = 0.0021097 k( 113) = ( 0.2824074 0.4891440 -0.0000000), wk = 0.0021097 k( 114) = ( 0.2777778 0.4811252 -0.0000000), wk = 0.0021097 k( 115) = ( 0.2731481 0.4731065 -0.0000000), wk = 0.0021097 k( 116) = ( 0.2685185 0.4650877 -0.0000000), wk = 0.0021097 k( 117) = ( 0.2638889 0.4570690 -0.0000000), wk = 0.0021097 k( 118) = ( 0.2592593 0.4490502 -0.0000000), wk = 0.0021097 k( 119) = ( 0.2546296 0.4410315 -0.0000000), wk = 0.0021097 k( 120) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0021097 k( 121) = ( 0.2453704 0.4249939 -0.0000000), wk = 0.0021097 k( 122) = ( 0.2407407 0.4169752 -0.0000000), wk = 0.0021097 k( 123) = ( 0.2361111 0.4089564 -0.0000000), wk = 0.0021097 k( 124) = ( 0.2314815 0.4009377 -0.0000000), wk = 0.0021097 k( 125) = ( 0.2268518 0.3929189 -0.0000000), wk = 0.0021097 k( 126) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0021097 k( 127) = ( 0.2175926 0.3768814 -0.0000000), wk = 0.0021097 k( 128) = ( 0.2129630 0.3688627 -0.0000000), wk = 0.0021097 k( 129) = ( 0.2083333 0.3608439 -0.0000000), wk = 0.0021097 k( 130) = ( 0.2037037 0.3528252 -0.0000000), wk = 0.0021097 k( 131) = ( 0.1990741 0.3448064 -0.0000000), wk = 0.0021097 k( 132) = ( 0.1944444 0.3367876 -0.0000000), wk = 0.0021097 k( 133) = ( 0.1898148 0.3287689 -0.0000000), wk = 0.0021097 k( 134) = ( 0.1851852 0.3207502 -0.0000000), wk = 0.0021097 k( 135) = ( 0.1805556 0.3127314 -0.0000000), wk = 0.0021097 k( 136) = ( 0.1759259 0.3047126 -0.0000000), wk = 0.0021097 k( 137) = ( 0.1712963 0.2966939 -0.0000000), wk = 0.0021097 k( 138) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0021097 k( 139) = ( 0.1620370 0.2806564 -0.0000000), wk = 0.0021097 k( 140) = ( 0.1574074 0.2726376 -0.0000000), wk = 0.0021097 k( 141) = ( 0.1527778 0.2646189 -0.0000000), wk = 0.0021097 k( 142) = ( 0.1481482 0.2566001 -0.0000000), wk = 0.0021097 k( 143) = ( 0.1435185 0.2485814 -0.0000000), wk = 0.0021097 k( 144) = ( 0.1388889 0.2405626 -0.0000000), wk = 0.0021097 k( 145) = ( 0.1342593 0.2325439 -0.0000000), wk = 0.0021097 k( 146) = ( 0.1296296 0.2245251 -0.0000000), wk = 0.0021097 k( 147) = ( 0.1250000 0.2165064 -0.0000000), wk = 0.0021097 k( 148) = ( 0.1203704 0.2084876 -0.0000000), wk = 0.0021097 k( 149) = ( 0.1157407 0.2004688 -0.0000000), wk = 0.0021097 k( 150) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0021097 k( 151) = ( 0.1064815 0.1844313 -0.0000000), wk = 0.0021097 k( 152) = ( 0.1018518 0.1764126 -0.0000000), wk = 0.0021097 k( 153) = ( 0.0972222 0.1683938 -0.0000000), wk = 0.0021097 k( 154) = ( 0.0925926 0.1603751 -0.0000000), wk = 0.0021097 k( 155) = ( 0.0879630 0.1523563 -0.0000000), wk = 0.0021097 k( 156) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0021097 k( 157) = ( 0.0787037 0.1363188 -0.0000000), wk = 0.0021097 k( 158) = ( 0.0740741 0.1283001 -0.0000000), wk = 0.0021097 k( 159) = ( 0.0694444 0.1202813 -0.0000000), wk = 0.0021097 k( 160) = ( 0.0648148 0.1122625 -0.0000000), wk = 0.0021097 k( 161) = ( 0.0601852 0.1042438 -0.0000000), wk = 0.0021097 k( 162) = ( 0.0555556 0.0962251 -0.0000000), wk = 0.0021097 k( 163) = ( 0.0509259 0.0882063 -0.0000000), wk = 0.0021097 k( 164) = ( 0.0462963 0.0801875 -0.0000000), wk = 0.0021097 k( 165) = ( 0.0416667 0.0721688 -0.0000000), wk = 0.0021097 k( 166) = ( 0.0370370 0.0641500 -0.0000000), wk = 0.0021097 k( 167) = ( 0.0324074 0.0561313 -0.0000000), wk = 0.0021097 k( 168) = ( 0.0277778 0.0481125 -0.0000000), wk = 0.0021097 k( 169) = ( 0.0231481 0.0400938 -0.0000000), wk = 0.0021097 k( 170) = ( 0.0185185 0.0320750 -0.0000000), wk = 0.0021097 k( 171) = ( 0.0138889 0.0240563 -0.0000000), wk = 0.0021097 k( 172) = ( 0.0092593 0.0160375 -0.0000000), wk = 0.0021097 k( 173) = ( 0.0046296 0.0080188 -0.0000000), wk = 0.0021097 k( 174) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021097 k( 175) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021097 k( 176) = ( 0.0000000 0.0000000 0.0091190), wk = 0.0021097 k( 177) = ( 0.0000000 0.0000000 0.0182381), wk = 0.0021097 k( 178) = ( 0.0000000 0.0000000 0.0273571), wk = 0.0021097 k( 179) = ( 0.0000000 0.0000000 0.0364762), wk = 0.0021097 k( 180) = ( 0.0000000 0.0000000 0.0455952), wk = 0.0021097 k( 181) = ( 0.0000000 0.0000000 0.0547143), wk = 0.0021097 k( 182) = ( 0.0000000 0.0000000 0.0638333), wk = 0.0021097 k( 183) = ( 0.0000000 0.0000000 0.0729524), wk = 0.0021097 k( 184) = ( 0.0000000 0.0000000 0.0820714), wk = 0.0021097 k( 185) = ( 0.0000000 0.0000000 0.0911904), wk = 0.0021097 k( 186) = ( 0.0000000 0.0000000 0.1003095), wk = 0.0021097 k( 187) = ( 0.0000000 0.0000000 0.1094285), wk = 0.0021097 k( 188) = ( 0.0000000 0.0000000 0.1185476), wk = 0.0021097 k( 189) = ( 0.0000000 0.0000000 0.1276666), wk = 0.0021097 k( 190) = ( 0.0000000 0.0000000 0.1367857), wk = 0.0021097 k( 191) = ( 0.0000000 0.0000000 0.1459047), wk = 0.0021097 k( 192) = ( 0.0000000 0.0000000 0.1550237), wk = 0.0021097 k( 193) = ( 0.0000000 0.0000000 0.1641428), wk = 0.0021097 k( 194) = ( 0.0000000 0.0000000 0.1732618), wk = 0.0021097 k( 195) = ( 0.0000000 0.0000000 0.1823809), wk = 0.0021097 k( 196) = ( 0.0000000 0.0000000 0.1914999), wk = 0.0021097 k( 197) = ( 0.0000000 0.0000000 0.2006190), wk = 0.0021097 k( 198) = ( 0.0000000 0.0000000 0.2097380), wk = 0.0021097 k( 199) = ( 0.0000000 0.0000000 0.2188570), wk = 0.0021097 k( 200) = ( 0.0000000 0.0000000 0.2279761), wk = 0.0021097 k( 201) = ( 0.0000000 0.0000000 0.2370951), wk = 0.0021097 k( 202) = ( 0.0000000 0.0000000 0.2462142), wk = 0.0021097 k( 203) = ( 0.0000000 0.0000000 0.2553332), wk = 0.0021097 k( 204) = ( 0.0000000 0.0000000 0.2644523), wk = 0.0021097 k( 205) = ( 0.0000000 0.0000000 0.2735713), wk = 0.0021097 k( 206) = ( 0.0000000 0.0000000 0.2826904), wk = 0.0021097 k( 207) = ( 0.0000000 0.0000000 0.2918094), wk = 0.0021097 k( 208) = ( 0.0000000 0.0000000 0.3009284), wk = 0.0021097 k( 209) = ( 0.0000000 0.0000000 0.3100475), wk = 0.0021097 k( 210) = ( 0.0000000 0.0000000 0.3191665), wk = 0.0021097 k( 211) = ( 0.0000000 0.0000000 0.3282856), wk = 0.0021097 k( 212) = ( 0.0000000 0.0000000 0.3374046), wk = 0.0021097 k( 213) = ( 0.0000000 0.0000000 0.3465237), wk = 0.0021097 k( 214) = ( 0.0000000 0.0000000 0.3556427), wk = 0.0021097 k( 215) = ( 0.0000000 0.0000000 0.3647617), wk = 0.0021097 k( 216) = ( 0.0000000 0.0000000 0.3738808), wk = 0.0021097 k( 217) = ( 0.0000000 0.0000000 0.3738808), wk = 0.0021097 k( 218) = ( 0.0079365 0.0045821 0.3738808), wk = 0.0021097 k( 219) = ( 0.0158730 0.0091643 0.3738808), wk = 0.0021097 k( 220) = ( 0.0238095 0.0137464 0.3738808), wk = 0.0021097 k( 221) = ( 0.0317460 0.0183286 0.3738808), wk = 0.0021097 k( 222) = ( 0.0396825 0.0229107 0.3738808), wk = 0.0021097 k( 223) = ( 0.0476191 0.0274929 0.3738808), wk = 0.0021097 k( 224) = ( 0.0555556 0.0320750 0.3738808), wk = 0.0021097 k( 225) = ( 0.0634921 0.0366572 0.3738808), wk = 0.0021097 k( 226) = ( 0.0714286 0.0412393 0.3738808), wk = 0.0021097 k( 227) = ( 0.0793651 0.0458215 0.3738808), wk = 0.0021097 k( 228) = ( 0.0873016 0.0504036 0.3738808), wk = 0.0021097 k( 229) = ( 0.0952381 0.0549857 0.3738808), wk = 0.0021097 k( 230) = ( 0.1031746 0.0595679 0.3738808), wk = 0.0021097 k( 231) = ( 0.1111111 0.0641500 0.3738808), wk = 0.0021097 k( 232) = ( 0.1190476 0.0687322 0.3738808), wk = 0.0021097 k( 233) = ( 0.1269841 0.0733143 0.3738808), wk = 0.0021097 k( 234) = ( 0.1349206 0.0778965 0.3738808), wk = 0.0021097 k( 235) = ( 0.1428571 0.0824786 0.3738808), wk = 0.0021097 k( 236) = ( 0.1507937 0.0870608 0.3738808), wk = 0.0021097 k( 237) = ( 0.1587302 0.0916429 0.3738808), wk = 0.0021097 k( 238) = ( 0.1666667 0.0962250 0.3738808), wk = 0.0021097 k( 239) = ( 0.1746032 0.1008072 0.3738808), wk = 0.0021097 k( 240) = ( 0.1825397 0.1053893 0.3738808), wk = 0.0021097 k( 241) = ( 0.1904762 0.1099715 0.3738808), wk = 0.0021097 k( 242) = ( 0.1984127 0.1145536 0.3738808), wk = 0.0021097 k( 243) = ( 0.2063492 0.1191358 0.3738808), wk = 0.0021097 k( 244) = ( 0.2142857 0.1237179 0.3738808), wk = 0.0021097 k( 245) = ( 0.2222222 0.1283001 0.3738808), wk = 0.0021097 k( 246) = ( 0.2301587 0.1328822 0.3738808), wk = 0.0021097 k( 247) = ( 0.2380952 0.1374644 0.3738808), wk = 0.0021097 k( 248) = ( 0.2460317 0.1420465 0.3738808), wk = 0.0021097 k( 249) = ( 0.2539683 0.1466286 0.3738808), wk = 0.0021097 k( 250) = ( 0.2619048 0.1512108 0.3738808), wk = 0.0021097 k( 251) = ( 0.2698413 0.1557929 0.3738808), wk = 0.0021097 k( 252) = ( 0.2777778 0.1603751 0.3738808), wk = 0.0021097 k( 253) = ( 0.2857143 0.1649572 0.3738808), wk = 0.0021097 k( 254) = ( 0.2936508 0.1695394 0.3738808), wk = 0.0021097 k( 255) = ( 0.3015873 0.1741215 0.3738808), wk = 0.0021097 k( 256) = ( 0.3095238 0.1787037 0.3738808), wk = 0.0021097 k( 257) = ( 0.3174603 0.1832858 0.3738808), wk = 0.0021097 k( 258) = ( 0.3253968 0.1878679 0.3738808), wk = 0.0021097 k( 259) = ( 0.3333333 0.1924501 0.3738808), wk = 0.0021097 k( 260) = ( 0.3412698 0.1970322 0.3738808), wk = 0.0021097 k( 261) = ( 0.3492063 0.2016144 0.3738808), wk = 0.0021097 k( 262) = ( 0.3571429 0.2061965 0.3738808), wk = 0.0021097 k( 263) = ( 0.3650794 0.2107787 0.3738808), wk = 0.0021097 k( 264) = ( 0.3730159 0.2153608 0.3738808), wk = 0.0021097 k( 265) = ( 0.3809524 0.2199430 0.3738808), wk = 0.0021097 k( 266) = ( 0.3888889 0.2245251 0.3738808), wk = 0.0021097 k( 267) = ( 0.3968254 0.2291073 0.3738808), wk = 0.0021097 k( 268) = ( 0.4047619 0.2336894 0.3738808), wk = 0.0021097 k( 269) = ( 0.4126984 0.2382715 0.3738808), wk = 0.0021097 k( 270) = ( 0.4206349 0.2428537 0.3738808), wk = 0.0021097 k( 271) = ( 0.4285714 0.2474358 0.3738808), wk = 0.0021097 k( 272) = ( 0.4365079 0.2520180 0.3738808), wk = 0.0021097 k( 273) = ( 0.4444444 0.2566001 0.3738808), wk = 0.0021097 k( 274) = ( 0.4523810 0.2611823 0.3738808), wk = 0.0021097 k( 275) = ( 0.4603175 0.2657644 0.3738808), wk = 0.0021097 k( 276) = ( 0.4682540 0.2703466 0.3738808), wk = 0.0021097 k( 277) = ( 0.4761905 0.2749287 0.3738808), wk = 0.0021097 k( 278) = ( 0.4841270 0.2795108 0.3738808), wk = 0.0021097 k( 279) = ( 0.4920635 0.2840930 0.3738808), wk = 0.0021097 k( 280) = ( 0.5000000 0.2886751 0.3738808), wk = 0.0021097 k( 281) = ( 0.5000000 0.2886751 0.3738808), wk = 0.0021097 k( 282) = ( 0.4953704 0.2966939 0.3738808), wk = 0.0021097 k( 283) = ( 0.4907407 0.3047126 0.3738808), wk = 0.0021097 k( 284) = ( 0.4861111 0.3127314 0.3738808), wk = 0.0021097 k( 285) = ( 0.4814815 0.3207502 0.3738808), wk = 0.0021097 k( 286) = ( 0.4768519 0.3287689 0.3738808), wk = 0.0021097 k( 287) = ( 0.4722222 0.3367877 0.3738808), wk = 0.0021097 k( 288) = ( 0.4675926 0.3448064 0.3738808), wk = 0.0021097 k( 289) = ( 0.4629630 0.3528252 0.3738808), wk = 0.0021097 k( 290) = ( 0.4583333 0.3608439 0.3738808), wk = 0.0021097 k( 291) = ( 0.4537037 0.3688627 0.3738808), wk = 0.0021097 k( 292) = ( 0.4490741 0.3768814 0.3738808), wk = 0.0021097 k( 293) = ( 0.4444444 0.3849002 0.3738808), wk = 0.0021097 k( 294) = ( 0.4398148 0.3929189 0.3738808), wk = 0.0021097 k( 295) = ( 0.4351852 0.4009377 0.3738808), wk = 0.0021097 k( 296) = ( 0.4305556 0.4089564 0.3738808), wk = 0.0021097 k( 297) = ( 0.4259259 0.4169752 0.3738808), wk = 0.0021097 k( 298) = ( 0.4212963 0.4249940 0.3738808), wk = 0.0021097 k( 299) = ( 0.4166667 0.4330127 0.3738808), wk = 0.0021097 k( 300) = ( 0.4120370 0.4410315 0.3738808), wk = 0.0021097 k( 301) = ( 0.4074074 0.4490502 0.3738808), wk = 0.0021097 k( 302) = ( 0.4027778 0.4570690 0.3738808), wk = 0.0021097 k( 303) = ( 0.3981481 0.4650877 0.3738808), wk = 0.0021097 k( 304) = ( 0.3935185 0.4731065 0.3738808), wk = 0.0021097 k( 305) = ( 0.3888889 0.4811252 0.3738808), wk = 0.0021097 k( 306) = ( 0.3842593 0.4891440 0.3738808), wk = 0.0021097 k( 307) = ( 0.3796296 0.4971627 0.3738808), wk = 0.0021097 k( 308) = ( 0.3750000 0.5051815 0.3738808), wk = 0.0021097 k( 309) = ( 0.3703704 0.5132002 0.3738808), wk = 0.0021097 k( 310) = ( 0.3657407 0.5212190 0.3738808), wk = 0.0021097 k( 311) = ( 0.3611111 0.5292377 0.3738808), wk = 0.0021097 k( 312) = ( 0.3564815 0.5372565 0.3738808), wk = 0.0021097 k( 313) = ( 0.3518519 0.5452753 0.3738808), wk = 0.0021097 k( 314) = ( 0.3472222 0.5532940 0.3738808), wk = 0.0021097 k( 315) = ( 0.3425926 0.5613128 0.3738808), wk = 0.0021097 k( 316) = ( 0.3379630 0.5693315 0.3738808), wk = 0.0021097 k( 317) = ( 0.3333333 0.5773503 0.3738808), wk = 0.0021097 k( 318) = ( 0.3333333 0.5773503 0.3738808), wk = 0.0021097 k( 319) = ( 0.3287037 0.5693315 0.3738808), wk = 0.0021097 k( 320) = ( 0.3240741 0.5613128 0.3738808), wk = 0.0021097 k( 321) = ( 0.3194444 0.5532940 0.3738808), wk = 0.0021097 k( 322) = ( 0.3148148 0.5452752 0.3738808), wk = 0.0021097 k( 323) = ( 0.3101852 0.5372565 0.3738808), wk = 0.0021097 k( 324) = ( 0.3055556 0.5292378 0.3738808), wk = 0.0021097 k( 325) = ( 0.3009259 0.5212190 0.3738808), wk = 0.0021097 k( 326) = ( 0.2962963 0.5132002 0.3738808), wk = 0.0021097 k( 327) = ( 0.2916667 0.5051815 0.3738808), wk = 0.0021097 k( 328) = ( 0.2870370 0.4971627 0.3738808), wk = 0.0021097 k( 329) = ( 0.2824074 0.4891440 0.3738808), wk = 0.0021097 k( 330) = ( 0.2777778 0.4811252 0.3738808), wk = 0.0021097 k( 331) = ( 0.2731481 0.4731065 0.3738808), wk = 0.0021097 k( 332) = ( 0.2685185 0.4650877 0.3738808), wk = 0.0021097 k( 333) = ( 0.2638889 0.4570690 0.3738808), wk = 0.0021097 k( 334) = ( 0.2592593 0.4490502 0.3738808), wk = 0.0021097 k( 335) = ( 0.2546296 0.4410315 0.3738808), wk = 0.0021097 k( 336) = ( 0.2500000 0.4330127 0.3738808), wk = 0.0021097 k( 337) = ( 0.2453704 0.4249939 0.3738808), wk = 0.0021097 k( 338) = ( 0.2407407 0.4169752 0.3738808), wk = 0.0021097 k( 339) = ( 0.2361111 0.4089564 0.3738808), wk = 0.0021097 k( 340) = ( 0.2314815 0.4009377 0.3738808), wk = 0.0021097 k( 341) = ( 0.2268518 0.3929189 0.3738808), wk = 0.0021097 k( 342) = ( 0.2222222 0.3849002 0.3738808), wk = 0.0021097 k( 343) = ( 0.2175926 0.3768814 0.3738808), wk = 0.0021097 k( 344) = ( 0.2129630 0.3688627 0.3738808), wk = 0.0021097 k( 345) = ( 0.2083333 0.3608439 0.3738808), wk = 0.0021097 k( 346) = ( 0.2037037 0.3528252 0.3738808), wk = 0.0021097 k( 347) = ( 0.1990741 0.3448064 0.3738808), wk = 0.0021097 k( 348) = ( 0.1944444 0.3367876 0.3738808), wk = 0.0021097 k( 349) = ( 0.1898148 0.3287689 0.3738808), wk = 0.0021097 k( 350) = ( 0.1851852 0.3207502 0.3738808), wk = 0.0021097 k( 351) = ( 0.1805556 0.3127314 0.3738808), wk = 0.0021097 k( 352) = ( 0.1759259 0.3047126 0.3738808), wk = 0.0021097 k( 353) = ( 0.1712963 0.2966939 0.3738808), wk = 0.0021097 k( 354) = ( 0.1666667 0.2886751 0.3738808), wk = 0.0021097 k( 355) = ( 0.1620370 0.2806564 0.3738808), wk = 0.0021097 k( 356) = ( 0.1574074 0.2726376 0.3738808), wk = 0.0021097 k( 357) = ( 0.1527778 0.2646189 0.3738808), wk = 0.0021097 k( 358) = ( 0.1481482 0.2566001 0.3738808), wk = 0.0021097 k( 359) = ( 0.1435185 0.2485814 0.3738808), wk = 0.0021097 k( 360) = ( 0.1388889 0.2405626 0.3738808), wk = 0.0021097 k( 361) = ( 0.1342593 0.2325439 0.3738808), wk = 0.0021097 k( 362) = ( 0.1296296 0.2245251 0.3738808), wk = 0.0021097 k( 363) = ( 0.1250000 0.2165064 0.3738808), wk = 0.0021097 k( 364) = ( 0.1203704 0.2084876 0.3738808), wk = 0.0021097 k( 365) = ( 0.1157407 0.2004688 0.3738808), wk = 0.0021097 k( 366) = ( 0.1111111 0.1924501 0.3738808), wk = 0.0021097 k( 367) = ( 0.1064815 0.1844313 0.3738808), wk = 0.0021097 k( 368) = ( 0.1018518 0.1764126 0.3738808), wk = 0.0021097 k( 369) = ( 0.0972222 0.1683938 0.3738808), wk = 0.0021097 k( 370) = ( 0.0925926 0.1603751 0.3738808), wk = 0.0021097 k( 371) = ( 0.0879630 0.1523563 0.3738808), wk = 0.0021097 k( 372) = ( 0.0833333 0.1443376 0.3738808), wk = 0.0021097 k( 373) = ( 0.0787037 0.1363188 0.3738808), wk = 0.0021097 k( 374) = ( 0.0740741 0.1283001 0.3738808), wk = 0.0021097 k( 375) = ( 0.0694444 0.1202813 0.3738808), wk = 0.0021097 k( 376) = ( 0.0648148 0.1122625 0.3738808), wk = 0.0021097 k( 377) = ( 0.0601852 0.1042438 0.3738808), wk = 0.0021097 k( 378) = ( 0.0555556 0.0962251 0.3738808), wk = 0.0021097 k( 379) = ( 0.0509259 0.0882063 0.3738808), wk = 0.0021097 k( 380) = ( 0.0462963 0.0801875 0.3738808), wk = 0.0021097 k( 381) = ( 0.0416667 0.0721688 0.3738808), wk = 0.0021097 k( 382) = ( 0.0370370 0.0641500 0.3738808), wk = 0.0021097 k( 383) = ( 0.0324074 0.0561313 0.3738808), wk = 0.0021097 k( 384) = ( 0.0277778 0.0481125 0.3738808), wk = 0.0021097 k( 385) = ( 0.0231481 0.0400938 0.3738808), wk = 0.0021097 k( 386) = ( 0.0185185 0.0320750 0.3738808), wk = 0.0021097 k( 387) = ( 0.0138889 0.0240563 0.3738808), wk = 0.0021097 k( 388) = ( 0.0092593 0.0160375 0.3738808), wk = 0.0021097 k( 389) = ( 0.0046296 0.0080188 0.3738808), wk = 0.0021097 k( 390) = ( 0.0000000 0.0000000 0.3738808), wk = 0.0021097 k( 391) = ( 0.5000000 0.2886751 0.3738808), wk = 0.0021097 k( 392) = ( 0.5000000 0.2886751 0.3647617), wk = 0.0021097 k( 393) = ( 0.5000000 0.2886751 0.3556427), wk = 0.0021097 k( 394) = ( 0.5000000 0.2886751 0.3465237), wk = 0.0021097 k( 395) = ( 0.5000000 0.2886751 0.3374046), wk = 0.0021097 k( 396) = ( 0.5000000 0.2886751 0.3282856), wk = 0.0021097 k( 397) = ( 0.5000000 0.2886751 0.3191665), wk = 0.0021097 k( 398) = ( 0.5000000 0.2886751 0.3100475), wk = 0.0021097 k( 399) = ( 0.5000000 0.2886751 0.3009284), wk = 0.0021097 k( 400) = ( 0.5000000 0.2886751 0.2918094), wk = 0.0021097 k( 401) = ( 0.5000000 0.2886751 0.2826904), wk = 0.0021097 k( 402) = ( 0.5000000 0.2886751 0.2735713), wk = 0.0021097 k( 403) = ( 0.5000000 0.2886751 0.2644523), wk = 0.0021097 k( 404) = ( 0.5000000 0.2886751 0.2553332), wk = 0.0021097 k( 405) = ( 0.5000000 0.2886751 0.2462142), wk = 0.0021097 k( 406) = ( 0.5000000 0.2886751 0.2370951), wk = 0.0021097 k( 407) = ( 0.5000000 0.2886751 0.2279761), wk = 0.0021097 k( 408) = ( 0.5000000 0.2886751 0.2188570), wk = 0.0021097 k( 409) = ( 0.5000000 0.2886751 0.2097380), wk = 0.0021097 k( 410) = ( 0.5000000 0.2886751 0.2006190), wk = 0.0021097 k( 411) = ( 0.5000000 0.2886751 0.1914999), wk = 0.0021097 k( 412) = ( 0.5000000 0.2886751 0.1823809), wk = 0.0021097 k( 413) = ( 0.5000000 0.2886751 0.1732618), wk = 0.0021097 k( 414) = ( 0.5000000 0.2886751 0.1641428), wk = 0.0021097 k( 415) = ( 0.5000000 0.2886751 0.1550237), wk = 0.0021097 k( 416) = ( 0.5000000 0.2886751 0.1459047), wk = 0.0021097 k( 417) = ( 0.5000000 0.2886751 0.1367857), wk = 0.0021097 k( 418) = ( 0.5000000 0.2886751 0.1276666), wk = 0.0021097 k( 419) = ( 0.5000000 0.2886751 0.1185476), wk = 0.0021097 k( 420) = ( 0.5000000 0.2886751 0.1094285), wk = 0.0021097 k( 421) = ( 0.5000000 0.2886751 0.1003095), wk = 0.0021097 k( 422) = ( 0.5000000 0.2886751 0.0911904), wk = 0.0021097 k( 423) = ( 0.5000000 0.2886751 0.0820714), wk = 0.0021097 k( 424) = ( 0.5000000 0.2886751 0.0729524), wk = 0.0021097 k( 425) = ( 0.5000000 0.2886751 0.0638333), wk = 0.0021097 k( 426) = ( 0.5000000 0.2886751 0.0547143), wk = 0.0021097 k( 427) = ( 0.5000000 0.2886751 0.0455952), wk = 0.0021097 k( 428) = ( 0.5000000 0.2886751 0.0364762), wk = 0.0021097 k( 429) = ( 0.5000000 0.2886751 0.0273571), wk = 0.0021097 k( 430) = ( 0.5000000 0.2886751 0.0182381), wk = 0.0021097 k( 431) = ( 0.5000000 0.2886751 0.0091190), wk = 0.0021097 k( 432) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0021097 k( 433) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0021097 k( 434) = ( 0.3333333 0.5773503 0.0091190), wk = 0.0021097 k( 435) = ( 0.3333333 0.5773503 0.0182381), wk = 0.0021097 k( 436) = ( 0.3333333 0.5773503 0.0273571), wk = 0.0021097 k( 437) = ( 0.3333333 0.5773503 0.0364762), wk = 0.0021097 k( 438) = ( 0.3333333 0.5773503 0.0455952), wk = 0.0021097 k( 439) = ( 0.3333333 0.5773503 0.0547143), wk = 0.0021097 k( 440) = ( 0.3333333 0.5773503 0.0638333), wk = 0.0021097 k( 441) = ( 0.3333333 0.5773503 0.0729524), wk = 0.0021097 k( 442) = ( 0.3333333 0.5773503 0.0820714), wk = 0.0021097 k( 443) = ( 0.3333333 0.5773503 0.0911904), wk = 0.0021097 k( 444) = ( 0.3333333 0.5773503 0.1003095), wk = 0.0021097 k( 445) = ( 0.3333333 0.5773503 0.1094285), wk = 0.0021097 k( 446) = ( 0.3333333 0.5773503 0.1185476), wk = 0.0021097 k( 447) = ( 0.3333333 0.5773503 0.1276666), wk = 0.0021097 k( 448) = ( 0.3333333 0.5773503 0.1367857), wk = 0.0021097 k( 449) = ( 0.3333333 0.5773503 0.1459047), wk = 0.0021097 k( 450) = ( 0.3333333 0.5773503 0.1550237), wk = 0.0021097 k( 451) = ( 0.3333333 0.5773503 0.1641428), wk = 0.0021097 k( 452) = ( 0.3333333 0.5773503 0.1732618), wk = 0.0021097 k( 453) = ( 0.3333333 0.5773503 0.1823809), wk = 0.0021097 k( 454) = ( 0.3333333 0.5773503 0.1914999), wk = 0.0021097 k( 455) = ( 0.3333333 0.5773503 0.2006190), wk = 0.0021097 k( 456) = ( 0.3333333 0.5773503 0.2097380), wk = 0.0021097 k( 457) = ( 0.3333333 0.5773503 0.2188570), wk = 0.0021097 k( 458) = ( 0.3333333 0.5773503 0.2279761), wk = 0.0021097 k( 459) = ( 0.3333333 0.5773503 0.2370951), wk = 0.0021097 k( 460) = ( 0.3333333 0.5773503 0.2462142), wk = 0.0021097 k( 461) = ( 0.3333333 0.5773503 0.2553332), wk = 0.0021097 k( 462) = ( 0.3333333 0.5773503 0.2644523), wk = 0.0021097 k( 463) = ( 0.3333333 0.5773503 0.2735713), wk = 0.0021097 k( 464) = ( 0.3333333 0.5773503 0.2826904), wk = 0.0021097 k( 465) = ( 0.3333333 0.5773503 0.2918094), wk = 0.0021097 k( 466) = ( 0.3333333 0.5773503 0.3009284), wk = 0.0021097 k( 467) = ( 0.3333333 0.5773503 0.3100475), wk = 0.0021097 k( 468) = ( 0.3333333 0.5773503 0.3191665), wk = 0.0021097 k( 469) = ( 0.3333333 0.5773503 0.3282856), wk = 0.0021097 k( 470) = ( 0.3333333 0.5773503 0.3374046), wk = 0.0021097 k( 471) = ( 0.3333333 0.5773503 0.3465237), wk = 0.0021097 k( 472) = ( 0.3333333 0.5773503 0.3556427), wk = 0.0021097 k( 473) = ( 0.3333333 0.5773503 0.3647617), wk = 0.0021097 k( 474) = ( 0.3333333 0.5773503 0.3738808), wk = 0.0021097 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021097 k( 2) = ( 0.0079365 0.0000000 0.0000000), wk = 0.0021097 k( 3) = ( 0.0158730 0.0000000 0.0000000), wk = 0.0021097 k( 4) = ( 0.0238095 -0.0000000 0.0000000), wk = 0.0021097 k( 5) = ( 0.0317460 0.0000000 0.0000000), wk = 0.0021097 k( 6) = ( 0.0396825 0.0000000 0.0000000), wk = 0.0021097 k( 7) = ( 0.0476191 -0.0000000 0.0000000), wk = 0.0021097 k( 8) = ( 0.0555556 0.0000000 0.0000000), wk = 0.0021097 k( 9) = ( 0.0634921 0.0000000 0.0000000), wk = 0.0021097 k( 10) = ( 0.0714286 0.0000000 0.0000000), wk = 0.0021097 k( 11) = ( 0.0793651 0.0000000 0.0000000), wk = 0.0021097 k( 12) = ( 0.0873016 0.0000000 0.0000000), wk = 0.0021097 k( 13) = ( 0.0952381 -0.0000000 0.0000000), wk = 0.0021097 k( 14) = ( 0.1031746 0.0000000 0.0000000), wk = 0.0021097 k( 15) = ( 0.1111111 0.0000000 0.0000000), wk = 0.0021097 k( 16) = ( 0.1190476 -0.0000000 0.0000000), wk = 0.0021097 k( 17) = ( 0.1269841 0.0000000 0.0000000), wk = 0.0021097 k( 18) = ( 0.1349206 0.0000000 0.0000000), wk = 0.0021097 k( 19) = ( 0.1428571 0.0000000 0.0000000), wk = 0.0021097 k( 20) = ( 0.1507937 -0.0000000 0.0000000), wk = 0.0021097 k( 21) = ( 0.1587302 0.0000000 0.0000000), wk = 0.0021097 k( 22) = ( 0.1666667 0.0000000 0.0000000), wk = 0.0021097 k( 23) = ( 0.1746032 0.0000000 0.0000000), wk = 0.0021097 k( 24) = ( 0.1825397 0.0000000 0.0000000), wk = 0.0021097 k( 25) = ( 0.1904762 -0.0000000 0.0000000), wk = 0.0021097 k( 26) = ( 0.1984127 0.0000000 0.0000000), wk = 0.0021097 k( 27) = ( 0.2063492 0.0000000 0.0000000), wk = 0.0021097 k( 28) = ( 0.2142857 0.0000000 0.0000000), wk = 0.0021097 k( 29) = ( 0.2222222 0.0000000 0.0000000), wk = 0.0021097 k( 30) = ( 0.2301587 0.0000000 0.0000000), wk = 0.0021097 k( 31) = ( 0.2380952 -0.0000000 0.0000000), wk = 0.0021097 k( 32) = ( 0.2460317 0.0000000 0.0000000), wk = 0.0021097 k( 33) = ( 0.2539683 0.0000000 0.0000000), wk = 0.0021097 k( 34) = ( 0.2619048 0.0000000 0.0000000), wk = 0.0021097 k( 35) = ( 0.2698413 0.0000000 0.0000000), wk = 0.0021097 k( 36) = ( 0.2777778 0.0000000 0.0000000), wk = 0.0021097 k( 37) = ( 0.2857143 0.0000000 0.0000000), wk = 0.0021097 k( 38) = ( 0.2936508 -0.0000000 0.0000000), wk = 0.0021097 k( 39) = ( 0.3015873 -0.0000000 0.0000000), wk = 0.0021097 k( 40) = ( 0.3095238 0.0000000 0.0000000), wk = 0.0021097 k( 41) = ( 0.3174603 0.0000000 0.0000000), wk = 0.0021097 k( 42) = ( 0.3253968 0.0000000 0.0000000), wk = 0.0021097 k( 43) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0021097 k( 44) = ( 0.3412698 0.0000000 0.0000000), wk = 0.0021097 k( 45) = ( 0.3492063 0.0000000 0.0000000), wk = 0.0021097 k( 46) = ( 0.3571429 0.0000000 0.0000000), wk = 0.0021097 k( 47) = ( 0.3650794 0.0000000 0.0000000), wk = 0.0021097 k( 48) = ( 0.3730159 0.0000000 0.0000000), wk = 0.0021097 k( 49) = ( 0.3809524 -0.0000000 0.0000000), wk = 0.0021097 k( 50) = ( 0.3888889 0.0000000 0.0000000), wk = 0.0021097 k( 51) = ( 0.3968254 0.0000000 0.0000000), wk = 0.0021097 k( 52) = ( 0.4047619 0.0000000 0.0000000), wk = 0.0021097 k( 53) = ( 0.4126984 0.0000000 0.0000000), wk = 0.0021097 k( 54) = ( 0.4206349 0.0000000 0.0000000), wk = 0.0021097 k( 55) = ( 0.4285714 0.0000000 0.0000000), wk = 0.0021097 k( 56) = ( 0.4365079 -0.0000000 0.0000000), wk = 0.0021097 k( 57) = ( 0.4444444 0.0000000 0.0000000), wk = 0.0021097 k( 58) = ( 0.4523810 0.0000000 0.0000000), wk = 0.0021097 k( 59) = ( 0.4603175 0.0000000 0.0000000), wk = 0.0021097 k( 60) = ( 0.4682540 0.0000000 0.0000000), wk = 0.0021097 k( 61) = ( 0.4761905 -0.0000000 0.0000000), wk = 0.0021097 k( 62) = ( 0.4841270 0.0000000 0.0000000), wk = 0.0021097 k( 63) = ( 0.4920635 0.0000000 0.0000000), wk = 0.0021097 k( 64) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0021097 k( 65) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0021097 k( 66) = ( 0.4953704 0.0092593 0.0000000), wk = 0.0021097 k( 67) = ( 0.4907407 0.0185185 0.0000000), wk = 0.0021097 k( 68) = ( 0.4861111 0.0277778 0.0000000), wk = 0.0021097 k( 69) = ( 0.4814815 0.0370370 0.0000000), wk = 0.0021097 k( 70) = ( 0.4768519 0.0462963 0.0000000), wk = 0.0021097 k( 71) = ( 0.4722222 0.0555556 0.0000000), wk = 0.0021097 k( 72) = ( 0.4675926 0.0648148 0.0000000), wk = 0.0021097 k( 73) = ( 0.4629630 0.0740741 0.0000000), wk = 0.0021097 k( 74) = ( 0.4583333 0.0833333 0.0000000), wk = 0.0021097 k( 75) = ( 0.4537037 0.0925926 0.0000000), wk = 0.0021097 k( 76) = ( 0.4490741 0.1018518 0.0000000), wk = 0.0021097 k( 77) = ( 0.4444444 0.1111111 0.0000000), wk = 0.0021097 k( 78) = ( 0.4398148 0.1203704 0.0000000), wk = 0.0021097 k( 79) = ( 0.4351852 0.1296296 0.0000000), wk = 0.0021097 k( 80) = ( 0.4305556 0.1388889 -0.0000000), wk = 0.0021097 k( 81) = ( 0.4259259 0.1481481 0.0000000), wk = 0.0021097 k( 82) = ( 0.4212963 0.1574074 0.0000000), wk = 0.0021097 k( 83) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0021097 k( 84) = ( 0.4120370 0.1759259 0.0000000), wk = 0.0021097 k( 85) = ( 0.4074074 0.1851852 -0.0000000), wk = 0.0021097 k( 86) = ( 0.4027778 0.1944444 -0.0000000), wk = 0.0021097 k( 87) = ( 0.3981481 0.2037037 -0.0000000), wk = 0.0021097 k( 88) = ( 0.3935185 0.2129630 0.0000000), wk = 0.0021097 k( 89) = ( 0.3888889 0.2222222 0.0000000), wk = 0.0021097 k( 90) = ( 0.3842593 0.2314815 0.0000000), wk = 0.0021097 k( 91) = ( 0.3796296 0.2407407 0.0000000), wk = 0.0021097 k( 92) = ( 0.3750000 0.2500000 0.0000000), wk = 0.0021097 k( 93) = ( 0.3703704 0.2592593 0.0000000), wk = 0.0021097 k( 94) = ( 0.3657407 0.2685185 -0.0000000), wk = 0.0021097 k( 95) = ( 0.3611111 0.2777778 0.0000000), wk = 0.0021097 k( 96) = ( 0.3564815 0.2870370 0.0000000), wk = 0.0021097 k( 97) = ( 0.3518519 0.2962963 0.0000000), wk = 0.0021097 k( 98) = ( 0.3472222 0.3055556 0.0000000), wk = 0.0021097 k( 99) = ( 0.3425926 0.3148148 0.0000000), wk = 0.0021097 k( 100) = ( 0.3379630 0.3240741 0.0000000), wk = 0.0021097 k( 101) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0021097 k( 102) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0021097 k( 103) = ( 0.3287037 0.3287037 0.0000000), wk = 0.0021097 k( 104) = ( 0.3240741 0.3240741 0.0000000), wk = 0.0021097 k( 105) = ( 0.3194444 0.3194444 0.0000000), wk = 0.0021097 k( 106) = ( 0.3148148 0.3148148 0.0000000), wk = 0.0021097 k( 107) = ( 0.3101852 0.3101852 0.0000000), wk = 0.0021097 k( 108) = ( 0.3055556 0.3055556 0.0000000), wk = 0.0021097 k( 109) = ( 0.3009259 0.3009259 -0.0000000), wk = 0.0021097 k( 110) = ( 0.2962963 0.2962963 0.0000000), wk = 0.0021097 k( 111) = ( 0.2916667 0.2916667 0.0000000), wk = 0.0021097 k( 112) = ( 0.2870370 0.2870370 0.0000000), wk = 0.0021097 k( 113) = ( 0.2824074 0.2824074 -0.0000000), wk = 0.0021097 k( 114) = ( 0.2777778 0.2777778 0.0000000), wk = 0.0021097 k( 115) = ( 0.2731481 0.2731481 0.0000000), wk = 0.0021097 k( 116) = ( 0.2685185 0.2685185 0.0000000), wk = 0.0021097 k( 117) = ( 0.2638889 0.2638889 0.0000000), wk = 0.0021097 k( 118) = ( 0.2592593 0.2592593 0.0000000), wk = 0.0021097 k( 119) = ( 0.2546296 0.2546296 -0.0000000), wk = 0.0021097 k( 120) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0021097 k( 121) = ( 0.2453704 0.2453704 0.0000000), wk = 0.0021097 k( 122) = ( 0.2407407 0.2407407 0.0000000), wk = 0.0021097 k( 123) = ( 0.2361111 0.2361111 0.0000000), wk = 0.0021097 k( 124) = ( 0.2314815 0.2314815 0.0000000), wk = 0.0021097 k( 125) = ( 0.2268518 0.2268518 0.0000000), wk = 0.0021097 k( 126) = ( 0.2222222 0.2222222 0.0000000), wk = 0.0021097 k( 127) = ( 0.2175926 0.2175926 0.0000000), wk = 0.0021097 k( 128) = ( 0.2129630 0.2129630 0.0000000), wk = 0.0021097 k( 129) = ( 0.2083333 0.2083333 0.0000000), wk = 0.0021097 k( 130) = ( 0.2037037 0.2037037 0.0000000), wk = 0.0021097 k( 131) = ( 0.1990741 0.1990741 0.0000000), wk = 0.0021097 k( 132) = ( 0.1944444 0.1944444 0.0000000), wk = 0.0021097 k( 133) = ( 0.1898148 0.1898148 0.0000000), wk = 0.0021097 k( 134) = ( 0.1851852 0.1851852 0.0000000), wk = 0.0021097 k( 135) = ( 0.1805556 0.1805556 0.0000000), wk = 0.0021097 k( 136) = ( 0.1759259 0.1759259 0.0000000), wk = 0.0021097 k( 137) = ( 0.1712963 0.1712963 0.0000000), wk = 0.0021097 k( 138) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0021097 k( 139) = ( 0.1620370 0.1620370 0.0000000), wk = 0.0021097 k( 140) = ( 0.1574074 0.1574074 0.0000000), wk = 0.0021097 k( 141) = ( 0.1527778 0.1527778 0.0000000), wk = 0.0021097 k( 142) = ( 0.1481482 0.1481481 0.0000000), wk = 0.0021097 k( 143) = ( 0.1435185 0.1435185 0.0000000), wk = 0.0021097 k( 144) = ( 0.1388889 0.1388889 0.0000000), wk = 0.0021097 k( 145) = ( 0.1342593 0.1342593 0.0000000), wk = 0.0021097 k( 146) = ( 0.1296296 0.1296296 0.0000000), wk = 0.0021097 k( 147) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0021097 k( 148) = ( 0.1203704 0.1203704 0.0000000), wk = 0.0021097 k( 149) = ( 0.1157407 0.1157407 0.0000000), wk = 0.0021097 k( 150) = ( 0.1111111 0.1111111 0.0000000), wk = 0.0021097 k( 151) = ( 0.1064815 0.1064815 0.0000000), wk = 0.0021097 k( 152) = ( 0.1018518 0.1018518 0.0000000), wk = 0.0021097 k( 153) = ( 0.0972222 0.0972222 0.0000000), wk = 0.0021097 k( 154) = ( 0.0925926 0.0925926 0.0000000), wk = 0.0021097 k( 155) = ( 0.0879630 0.0879630 0.0000000), wk = 0.0021097 k( 156) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0021097 k( 157) = ( 0.0787037 0.0787037 -0.0000000), wk = 0.0021097 k( 158) = ( 0.0740741 0.0740741 0.0000000), wk = 0.0021097 k( 159) = ( 0.0694444 0.0694444 0.0000000), wk = 0.0021097 k( 160) = ( 0.0648148 0.0648148 0.0000000), wk = 0.0021097 k( 161) = ( 0.0601852 0.0601852 -0.0000000), wk = 0.0021097 k( 162) = ( 0.0555556 0.0555556 0.0000000), wk = 0.0021097 k( 163) = ( 0.0509259 0.0509259 0.0000000), wk = 0.0021097 k( 164) = ( 0.0462963 0.0462963 -0.0000000), wk = 0.0021097 k( 165) = ( 0.0416667 0.0416667 0.0000000), wk = 0.0021097 k( 166) = ( 0.0370370 0.0370370 0.0000000), wk = 0.0021097 k( 167) = ( 0.0324074 0.0324074 0.0000000), wk = 0.0021097 k( 168) = ( 0.0277778 0.0277778 0.0000000), wk = 0.0021097 k( 169) = ( 0.0231481 0.0231481 -0.0000000), wk = 0.0021097 k( 170) = ( 0.0185185 0.0185185 0.0000000), wk = 0.0021097 k( 171) = ( 0.0138889 0.0138889 0.0000000), wk = 0.0021097 k( 172) = ( 0.0092593 0.0092593 0.0000000), wk = 0.0021097 k( 173) = ( 0.0046296 0.0046296 0.0000000), wk = 0.0021097 k( 174) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021097 k( 175) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021097 k( 176) = ( 0.0000000 0.0000000 0.0121951), wk = 0.0021097 k( 177) = ( 0.0000000 0.0000000 0.0243902), wk = 0.0021097 k( 178) = ( 0.0000000 0.0000000 0.0365854), wk = 0.0021097 k( 179) = ( 0.0000000 0.0000000 0.0487805), wk = 0.0021097 k( 180) = ( 0.0000000 0.0000000 0.0609756), wk = 0.0021097 k( 181) = ( 0.0000000 0.0000000 0.0731707), wk = 0.0021097 k( 182) = ( 0.0000000 0.0000000 0.0853658), wk = 0.0021097 k( 183) = ( 0.0000000 0.0000000 0.0975610), wk = 0.0021097 k( 184) = ( 0.0000000 0.0000000 0.1097561), wk = 0.0021097 k( 185) = ( 0.0000000 0.0000000 0.1219512), wk = 0.0021097 k( 186) = ( 0.0000000 0.0000000 0.1341463), wk = 0.0021097 k( 187) = ( 0.0000000 0.0000000 0.1463415), wk = 0.0021097 k( 188) = ( 0.0000000 0.0000000 0.1585366), wk = 0.0021097 k( 189) = ( 0.0000000 0.0000000 0.1707317), wk = 0.0021097 k( 190) = ( 0.0000000 0.0000000 0.1829268), wk = 0.0021097 k( 191) = ( 0.0000000 0.0000000 0.1951219), wk = 0.0021097 k( 192) = ( 0.0000000 0.0000000 0.2073171), wk = 0.0021097 k( 193) = ( 0.0000000 0.0000000 0.2195122), wk = 0.0021097 k( 194) = ( 0.0000000 0.0000000 0.2317073), wk = 0.0021097 k( 195) = ( 0.0000000 0.0000000 0.2439024), wk = 0.0021097 k( 196) = ( 0.0000000 0.0000000 0.2560976), wk = 0.0021097 k( 197) = ( 0.0000000 0.0000000 0.2682927), wk = 0.0021097 k( 198) = ( 0.0000000 0.0000000 0.2804878), wk = 0.0021097 k( 199) = ( 0.0000000 0.0000000 0.2926829), wk = 0.0021097 k( 200) = ( 0.0000000 0.0000000 0.3048781), wk = 0.0021097 k( 201) = ( 0.0000000 0.0000000 0.3170732), wk = 0.0021097 k( 202) = ( 0.0000000 0.0000000 0.3292683), wk = 0.0021097 k( 203) = ( 0.0000000 0.0000000 0.3414634), wk = 0.0021097 k( 204) = ( 0.0000000 0.0000000 0.3536585), wk = 0.0021097 k( 205) = ( 0.0000000 0.0000000 0.3658537), wk = 0.0021097 k( 206) = ( 0.0000000 0.0000000 0.3780488), wk = 0.0021097 k( 207) = ( 0.0000000 0.0000000 0.3902439), wk = 0.0021097 k( 208) = ( 0.0000000 0.0000000 0.4024390), wk = 0.0021097 k( 209) = ( 0.0000000 0.0000000 0.4146341), wk = 0.0021097 k( 210) = ( 0.0000000 0.0000000 0.4268293), wk = 0.0021097 k( 211) = ( 0.0000000 0.0000000 0.4390244), wk = 0.0021097 k( 212) = ( 0.0000000 0.0000000 0.4512195), wk = 0.0021097 k( 213) = ( 0.0000000 0.0000000 0.4634146), wk = 0.0021097 k( 214) = ( 0.0000000 0.0000000 0.4756098), wk = 0.0021097 k( 215) = ( 0.0000000 0.0000000 0.4878049), wk = 0.0021097 k( 216) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021097 k( 217) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021097 k( 218) = ( 0.0079365 0.0000000 0.5000000), wk = 0.0021097 k( 219) = ( 0.0158730 0.0000000 0.5000000), wk = 0.0021097 k( 220) = ( 0.0238095 -0.0000000 0.5000000), wk = 0.0021097 k( 221) = ( 0.0317460 0.0000000 0.5000000), wk = 0.0021097 k( 222) = ( 0.0396825 0.0000000 0.5000000), wk = 0.0021097 k( 223) = ( 0.0476191 -0.0000000 0.5000000), wk = 0.0021097 k( 224) = ( 0.0555556 0.0000000 0.5000000), wk = 0.0021097 k( 225) = ( 0.0634921 0.0000000 0.5000000), wk = 0.0021097 k( 226) = ( 0.0714286 0.0000000 0.5000000), wk = 0.0021097 k( 227) = ( 0.0793651 0.0000000 0.5000000), wk = 0.0021097 k( 228) = ( 0.0873016 0.0000000 0.5000000), wk = 0.0021097 k( 229) = ( 0.0952381 -0.0000000 0.5000000), wk = 0.0021097 k( 230) = ( 0.1031746 0.0000000 0.5000000), wk = 0.0021097 k( 231) = ( 0.1111111 0.0000000 0.5000000), wk = 0.0021097 k( 232) = ( 0.1190476 -0.0000000 0.5000000), wk = 0.0021097 k( 233) = ( 0.1269841 0.0000000 0.5000000), wk = 0.0021097 k( 234) = ( 0.1349206 0.0000000 0.5000000), wk = 0.0021097 k( 235) = ( 0.1428571 0.0000000 0.5000000), wk = 0.0021097 k( 236) = ( 0.1507937 -0.0000000 0.5000000), wk = 0.0021097 k( 237) = ( 0.1587302 0.0000000 0.5000000), wk = 0.0021097 k( 238) = ( 0.1666667 0.0000000 0.5000000), wk = 0.0021097 k( 239) = ( 0.1746032 0.0000000 0.5000000), wk = 0.0021097 k( 240) = ( 0.1825397 0.0000000 0.5000000), wk = 0.0021097 k( 241) = ( 0.1904762 -0.0000000 0.5000000), wk = 0.0021097 k( 242) = ( 0.1984127 0.0000000 0.5000000), wk = 0.0021097 k( 243) = ( 0.2063492 0.0000000 0.5000000), wk = 0.0021097 k( 244) = ( 0.2142857 0.0000000 0.5000000), wk = 0.0021097 k( 245) = ( 0.2222222 0.0000000 0.5000000), wk = 0.0021097 k( 246) = ( 0.2301587 0.0000000 0.5000000), wk = 0.0021097 k( 247) = ( 0.2380952 -0.0000000 0.5000000), wk = 0.0021097 k( 248) = ( 0.2460317 0.0000000 0.5000000), wk = 0.0021097 k( 249) = ( 0.2539683 0.0000000 0.5000000), wk = 0.0021097 k( 250) = ( 0.2619048 0.0000000 0.5000000), wk = 0.0021097 k( 251) = ( 0.2698413 0.0000000 0.5000000), wk = 0.0021097 k( 252) = ( 0.2777778 0.0000000 0.5000000), wk = 0.0021097 k( 253) = ( 0.2857143 0.0000000 0.5000000), wk = 0.0021097 k( 254) = ( 0.2936508 -0.0000000 0.5000000), wk = 0.0021097 k( 255) = ( 0.3015873 -0.0000000 0.5000000), wk = 0.0021097 k( 256) = ( 0.3095238 0.0000000 0.5000000), wk = 0.0021097 k( 257) = ( 0.3174603 0.0000000 0.5000000), wk = 0.0021097 k( 258) = ( 0.3253968 0.0000000 0.5000000), wk = 0.0021097 k( 259) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0021097 k( 260) = ( 0.3412698 0.0000000 0.5000000), wk = 0.0021097 k( 261) = ( 0.3492063 0.0000000 0.5000000), wk = 0.0021097 k( 262) = ( 0.3571429 0.0000000 0.5000000), wk = 0.0021097 k( 263) = ( 0.3650794 0.0000000 0.5000000), wk = 0.0021097 k( 264) = ( 0.3730159 0.0000000 0.5000000), wk = 0.0021097 k( 265) = ( 0.3809524 -0.0000000 0.5000000), wk = 0.0021097 k( 266) = ( 0.3888889 0.0000000 0.5000000), wk = 0.0021097 k( 267) = ( 0.3968254 0.0000000 0.5000000), wk = 0.0021097 k( 268) = ( 0.4047619 0.0000000 0.5000000), wk = 0.0021097 k( 269) = ( 0.4126984 0.0000000 0.5000000), wk = 0.0021097 k( 270) = ( 0.4206349 0.0000000 0.5000000), wk = 0.0021097 k( 271) = ( 0.4285714 0.0000000 0.5000000), wk = 0.0021097 k( 272) = ( 0.4365079 -0.0000000 0.5000000), wk = 0.0021097 k( 273) = ( 0.4444444 0.0000000 0.5000000), wk = 0.0021097 k( 274) = ( 0.4523810 0.0000000 0.5000000), wk = 0.0021097 k( 275) = ( 0.4603175 0.0000000 0.5000000), wk = 0.0021097 k( 276) = ( 0.4682540 0.0000000 0.5000000), wk = 0.0021097 k( 277) = ( 0.4761905 -0.0000000 0.5000000), wk = 0.0021097 k( 278) = ( 0.4841270 0.0000000 0.5000000), wk = 0.0021097 k( 279) = ( 0.4920635 0.0000000 0.5000000), wk = 0.0021097 k( 280) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0021097 k( 281) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0021097 k( 282) = ( 0.4953704 0.0092593 0.5000000), wk = 0.0021097 k( 283) = ( 0.4907407 0.0185185 0.5000000), wk = 0.0021097 k( 284) = ( 0.4861111 0.0277778 0.5000000), wk = 0.0021097 k( 285) = ( 0.4814815 0.0370370 0.5000000), wk = 0.0021097 k( 286) = ( 0.4768519 0.0462963 0.5000000), wk = 0.0021097 k( 287) = ( 0.4722222 0.0555556 0.5000000), wk = 0.0021097 k( 288) = ( 0.4675926 0.0648148 0.5000000), wk = 0.0021097 k( 289) = ( 0.4629630 0.0740741 0.5000000), wk = 0.0021097 k( 290) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0021097 k( 291) = ( 0.4537037 0.0925926 0.5000000), wk = 0.0021097 k( 292) = ( 0.4490741 0.1018518 0.5000000), wk = 0.0021097 k( 293) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0021097 k( 294) = ( 0.4398148 0.1203704 0.5000000), wk = 0.0021097 k( 295) = ( 0.4351852 0.1296296 0.5000000), wk = 0.0021097 k( 296) = ( 0.4305556 0.1388889 0.5000000), wk = 0.0021097 k( 297) = ( 0.4259259 0.1481481 0.5000000), wk = 0.0021097 k( 298) = ( 0.4212963 0.1574074 0.5000000), wk = 0.0021097 k( 299) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0021097 k( 300) = ( 0.4120370 0.1759259 0.5000000), wk = 0.0021097 k( 301) = ( 0.4074074 0.1851852 0.5000000), wk = 0.0021097 k( 302) = ( 0.4027778 0.1944444 0.5000000), wk = 0.0021097 k( 303) = ( 0.3981481 0.2037037 0.5000000), wk = 0.0021097 k( 304) = ( 0.3935185 0.2129630 0.5000000), wk = 0.0021097 k( 305) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0021097 k( 306) = ( 0.3842593 0.2314815 0.5000000), wk = 0.0021097 k( 307) = ( 0.3796296 0.2407407 0.5000000), wk = 0.0021097 k( 308) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0021097 k( 309) = ( 0.3703704 0.2592593 0.5000000), wk = 0.0021097 k( 310) = ( 0.3657407 0.2685185 0.5000000), wk = 0.0021097 k( 311) = ( 0.3611111 0.2777778 0.5000000), wk = 0.0021097 k( 312) = ( 0.3564815 0.2870370 0.5000000), wk = 0.0021097 k( 313) = ( 0.3518519 0.2962963 0.5000000), wk = 0.0021097 k( 314) = ( 0.3472222 0.3055556 0.5000000), wk = 0.0021097 k( 315) = ( 0.3425926 0.3148148 0.5000000), wk = 0.0021097 k( 316) = ( 0.3379630 0.3240741 0.5000000), wk = 0.0021097 k( 317) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0021097 k( 318) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0021097 k( 319) = ( 0.3287037 0.3287037 0.5000000), wk = 0.0021097 k( 320) = ( 0.3240741 0.3240741 0.5000000), wk = 0.0021097 k( 321) = ( 0.3194444 0.3194444 0.5000000), wk = 0.0021097 k( 322) = ( 0.3148148 0.3148148 0.5000000), wk = 0.0021097 k( 323) = ( 0.3101852 0.3101852 0.5000000), wk = 0.0021097 k( 324) = ( 0.3055556 0.3055556 0.5000000), wk = 0.0021097 k( 325) = ( 0.3009259 0.3009259 0.5000000), wk = 0.0021097 k( 326) = ( 0.2962963 0.2962963 0.5000000), wk = 0.0021097 k( 327) = ( 0.2916667 0.2916667 0.5000000), wk = 0.0021097 k( 328) = ( 0.2870370 0.2870370 0.5000000), wk = 0.0021097 k( 329) = ( 0.2824074 0.2824074 0.5000000), wk = 0.0021097 k( 330) = ( 0.2777778 0.2777778 0.5000000), wk = 0.0021097 k( 331) = ( 0.2731481 0.2731481 0.5000000), wk = 0.0021097 k( 332) = ( 0.2685185 0.2685185 0.5000000), wk = 0.0021097 k( 333) = ( 0.2638889 0.2638889 0.5000000), wk = 0.0021097 k( 334) = ( 0.2592593 0.2592593 0.5000000), wk = 0.0021097 k( 335) = ( 0.2546296 0.2546296 0.5000000), wk = 0.0021097 k( 336) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0021097 k( 337) = ( 0.2453704 0.2453704 0.5000000), wk = 0.0021097 k( 338) = ( 0.2407407 0.2407407 0.5000000), wk = 0.0021097 k( 339) = ( 0.2361111 0.2361111 0.5000000), wk = 0.0021097 k( 340) = ( 0.2314815 0.2314815 0.5000000), wk = 0.0021097 k( 341) = ( 0.2268518 0.2268518 0.5000000), wk = 0.0021097 k( 342) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0021097 k( 343) = ( 0.2175926 0.2175926 0.5000000), wk = 0.0021097 k( 344) = ( 0.2129630 0.2129630 0.5000000), wk = 0.0021097 k( 345) = ( 0.2083333 0.2083333 0.5000000), wk = 0.0021097 k( 346) = ( 0.2037037 0.2037037 0.5000000), wk = 0.0021097 k( 347) = ( 0.1990741 0.1990741 0.5000000), wk = 0.0021097 k( 348) = ( 0.1944444 0.1944444 0.5000000), wk = 0.0021097 k( 349) = ( 0.1898148 0.1898148 0.5000000), wk = 0.0021097 k( 350) = ( 0.1851852 0.1851852 0.5000000), wk = 0.0021097 k( 351) = ( 0.1805556 0.1805556 0.5000000), wk = 0.0021097 k( 352) = ( 0.1759259 0.1759259 0.5000000), wk = 0.0021097 k( 353) = ( 0.1712963 0.1712963 0.5000000), wk = 0.0021097 k( 354) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0021097 k( 355) = ( 0.1620370 0.1620370 0.5000000), wk = 0.0021097 k( 356) = ( 0.1574074 0.1574074 0.5000000), wk = 0.0021097 k( 357) = ( 0.1527778 0.1527778 0.5000000), wk = 0.0021097 k( 358) = ( 0.1481482 0.1481481 0.5000000), wk = 0.0021097 k( 359) = ( 0.1435185 0.1435185 0.5000000), wk = 0.0021097 k( 360) = ( 0.1388889 0.1388889 0.5000000), wk = 0.0021097 k( 361) = ( 0.1342593 0.1342593 0.5000000), wk = 0.0021097 k( 362) = ( 0.1296296 0.1296296 0.5000000), wk = 0.0021097 k( 363) = ( 0.1250000 0.1250000 0.5000000), wk = 0.0021097 k( 364) = ( 0.1203704 0.1203704 0.5000000), wk = 0.0021097 k( 365) = ( 0.1157407 0.1157407 0.5000000), wk = 0.0021097 k( 366) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0021097 k( 367) = ( 0.1064815 0.1064815 0.5000000), wk = 0.0021097 k( 368) = ( 0.1018518 0.1018518 0.5000000), wk = 0.0021097 k( 369) = ( 0.0972222 0.0972222 0.5000000), wk = 0.0021097 k( 370) = ( 0.0925926 0.0925926 0.5000000), wk = 0.0021097 k( 371) = ( 0.0879630 0.0879630 0.5000000), wk = 0.0021097 k( 372) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0021097 k( 373) = ( 0.0787037 0.0787037 0.5000000), wk = 0.0021097 k( 374) = ( 0.0740741 0.0740741 0.5000000), wk = 0.0021097 k( 375) = ( 0.0694444 0.0694444 0.5000000), wk = 0.0021097 k( 376) = ( 0.0648148 0.0648148 0.5000000), wk = 0.0021097 k( 377) = ( 0.0601852 0.0601852 0.5000000), wk = 0.0021097 k( 378) = ( 0.0555556 0.0555556 0.5000000), wk = 0.0021097 k( 379) = ( 0.0509259 0.0509259 0.5000000), wk = 0.0021097 k( 380) = ( 0.0462963 0.0462963 0.5000000), wk = 0.0021097 k( 381) = ( 0.0416667 0.0416667 0.5000000), wk = 0.0021097 k( 382) = ( 0.0370370 0.0370370 0.5000000), wk = 0.0021097 k( 383) = ( 0.0324074 0.0324074 0.5000000), wk = 0.0021097 k( 384) = ( 0.0277778 0.0277778 0.5000000), wk = 0.0021097 k( 385) = ( 0.0231481 0.0231481 0.5000000), wk = 0.0021097 k( 386) = ( 0.0185185 0.0185185 0.5000000), wk = 0.0021097 k( 387) = ( 0.0138889 0.0138889 0.5000000), wk = 0.0021097 k( 388) = ( 0.0092593 0.0092593 0.5000000), wk = 0.0021097 k( 389) = ( 0.0046296 0.0046296 0.5000000), wk = 0.0021097 k( 390) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021097 k( 391) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0021097 k( 392) = ( 0.5000000 0.0000000 0.4878049), wk = 0.0021097 k( 393) = ( 0.5000000 0.0000000 0.4756098), wk = 0.0021097 k( 394) = ( 0.5000000 0.0000000 0.4634146), wk = 0.0021097 k( 395) = ( 0.5000000 0.0000000 0.4512195), wk = 0.0021097 k( 396) = ( 0.5000000 0.0000000 0.4390244), wk = 0.0021097 k( 397) = ( 0.5000000 0.0000000 0.4268293), wk = 0.0021097 k( 398) = ( 0.5000000 0.0000000 0.4146341), wk = 0.0021097 k( 399) = ( 0.5000000 0.0000000 0.4024390), wk = 0.0021097 k( 400) = ( 0.5000000 0.0000000 0.3902439), wk = 0.0021097 k( 401) = ( 0.5000000 0.0000000 0.3780488), wk = 0.0021097 k( 402) = ( 0.5000000 0.0000000 0.3658537), wk = 0.0021097 k( 403) = ( 0.5000000 0.0000000 0.3536585), wk = 0.0021097 k( 404) = ( 0.5000000 0.0000000 0.3414634), wk = 0.0021097 k( 405) = ( 0.5000000 0.0000000 0.3292683), wk = 0.0021097 k( 406) = ( 0.5000000 0.0000000 0.3170732), wk = 0.0021097 k( 407) = ( 0.5000000 0.0000000 0.3048780), wk = 0.0021097 k( 408) = ( 0.5000000 0.0000000 0.2926829), wk = 0.0021097 k( 409) = ( 0.5000000 0.0000000 0.2804878), wk = 0.0021097 k( 410) = ( 0.5000000 0.0000000 0.2682927), wk = 0.0021097 k( 411) = ( 0.5000000 0.0000000 0.2560976), wk = 0.0021097 k( 412) = ( 0.5000000 0.0000000 0.2439024), wk = 0.0021097 k( 413) = ( 0.5000000 0.0000000 0.2317073), wk = 0.0021097 k( 414) = ( 0.5000000 0.0000000 0.2195122), wk = 0.0021097 k( 415) = ( 0.5000000 0.0000000 0.2073171), wk = 0.0021097 k( 416) = ( 0.5000000 0.0000000 0.1951219), wk = 0.0021097 k( 417) = ( 0.5000000 0.0000000 0.1829268), wk = 0.0021097 k( 418) = ( 0.5000000 0.0000000 0.1707317), wk = 0.0021097 k( 419) = ( 0.5000000 0.0000000 0.1585366), wk = 0.0021097 k( 420) = ( 0.5000000 0.0000000 0.1463415), wk = 0.0021097 k( 421) = ( 0.5000000 0.0000000 0.1341463), wk = 0.0021097 k( 422) = ( 0.5000000 0.0000000 0.1219512), wk = 0.0021097 k( 423) = ( 0.5000000 0.0000000 0.1097561), wk = 0.0021097 k( 424) = ( 0.5000000 0.0000000 0.0975610), wk = 0.0021097 k( 425) = ( 0.5000000 0.0000000 0.0853658), wk = 0.0021097 k( 426) = ( 0.5000000 0.0000000 0.0731707), wk = 0.0021097 k( 427) = ( 0.5000000 0.0000000 0.0609756), wk = 0.0021097 k( 428) = ( 0.5000000 0.0000000 0.0487805), wk = 0.0021097 k( 429) = ( 0.5000000 0.0000000 0.0365854), wk = 0.0021097 k( 430) = ( 0.5000000 0.0000000 0.0243902), wk = 0.0021097 k( 431) = ( 0.5000000 0.0000000 0.0121951), wk = 0.0021097 k( 432) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0021097 k( 433) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0021097 k( 434) = ( 0.3333333 0.3333333 0.0121951), wk = 0.0021097 k( 435) = ( 0.3333333 0.3333333 0.0243902), wk = 0.0021097 k( 436) = ( 0.3333333 0.3333333 0.0365854), wk = 0.0021097 k( 437) = ( 0.3333333 0.3333333 0.0487805), wk = 0.0021097 k( 438) = ( 0.3333333 0.3333333 0.0609756), wk = 0.0021097 k( 439) = ( 0.3333333 0.3333333 0.0731707), wk = 0.0021097 k( 440) = ( 0.3333333 0.3333333 0.0853658), wk = 0.0021097 k( 441) = ( 0.3333333 0.3333333 0.0975610), wk = 0.0021097 k( 442) = ( 0.3333333 0.3333333 0.1097561), wk = 0.0021097 k( 443) = ( 0.3333333 0.3333333 0.1219512), wk = 0.0021097 k( 444) = ( 0.3333333 0.3333333 0.1341463), wk = 0.0021097 k( 445) = ( 0.3333333 0.3333333 0.1463415), wk = 0.0021097 k( 446) = ( 0.3333333 0.3333333 0.1585366), wk = 0.0021097 k( 447) = ( 0.3333333 0.3333333 0.1707317), wk = 0.0021097 k( 448) = ( 0.3333333 0.3333333 0.1829268), wk = 0.0021097 k( 449) = ( 0.3333333 0.3333333 0.1951219), wk = 0.0021097 k( 450) = ( 0.3333333 0.3333333 0.2073171), wk = 0.0021097 k( 451) = ( 0.3333333 0.3333333 0.2195122), wk = 0.0021097 k( 452) = ( 0.3333333 0.3333333 0.2317073), wk = 0.0021097 k( 453) = ( 0.3333333 0.3333333 0.2439024), wk = 0.0021097 k( 454) = ( 0.3333333 0.3333333 0.2560976), wk = 0.0021097 k( 455) = ( 0.3333333 0.3333333 0.2682927), wk = 0.0021097 k( 456) = ( 0.3333333 0.3333333 0.2804878), wk = 0.0021097 k( 457) = ( 0.3333333 0.3333333 0.2926829), wk = 0.0021097 k( 458) = ( 0.3333333 0.3333333 0.3048780), wk = 0.0021097 k( 459) = ( 0.3333333 0.3333333 0.3170732), wk = 0.0021097 k( 460) = ( 0.3333333 0.3333333 0.3292683), wk = 0.0021097 k( 461) = ( 0.3333333 0.3333333 0.3414634), wk = 0.0021097 k( 462) = ( 0.3333333 0.3333333 0.3536585), wk = 0.0021097 k( 463) = ( 0.3333333 0.3333333 0.3658537), wk = 0.0021097 k( 464) = ( 0.3333333 0.3333333 0.3780488), wk = 0.0021097 k( 465) = ( 0.3333333 0.3333333 0.3902439), wk = 0.0021097 k( 466) = ( 0.3333333 0.3333333 0.4024390), wk = 0.0021097 k( 467) = ( 0.3333333 0.3333333 0.4146341), wk = 0.0021097 k( 468) = ( 0.3333333 0.3333333 0.4268293), wk = 0.0021097 k( 469) = ( 0.3333333 0.3333333 0.4390244), wk = 0.0021097 k( 470) = ( 0.3333333 0.3333333 0.4512195), wk = 0.0021097 k( 471) = ( 0.3333333 0.3333333 0.4634146), wk = 0.0021097 k( 472) = ( 0.3333333 0.3333333 0.4756098), wk = 0.0021097 k( 473) = ( 0.3333333 0.3333333 0.4878049), wk = 0.0021097 k( 474) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0021097 Dense grid: 23817 G-vectors FFT dimensions: ( 36, 36, 45) Smooth grid: 11009 G-vectors FFT dimensions: ( 27, 27, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.04 Mb ( 72, 32) NL pseudopotentials 0.03 Mb ( 36, 62) Each V/rho on FFT grid 0.02 Mb ( 1296) Each G-vector array 0.00 Mb ( 494) G-vector shells 0.00 Mb ( 244) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.14 Mb ( 72, 128) Each subspace H/S matrix 0.25 Mb ( 128, 128) Each matrix 0.06 Mb ( 62, 2, 32) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./WN2.save/charge-density.dat Starting wfc are 42 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 40.3 secs Computing kpt #: 2 total cpu time spent up to now is 40.7 secs Computing kpt #: 3 total cpu time spent up to now is 41.1 secs Computing kpt #: 4 total cpu time spent up to now is 41.5 secs Computing kpt #: 5 total cpu time spent up to now is 41.9 secs Computing kpt #: 6 total cpu time spent up to now is 42.3 secs Computing kpt #: 7 total cpu time spent up to now is 42.7 secs Computing kpt #: 8 total cpu time spent up to now is 43.1 secs Computing kpt #: 9 total cpu time spent up to now is 43.5 secs Computing kpt #: 10 total cpu time spent up to now is 44.0 secs Computing kpt #: 11 total cpu time spent up to now is 44.4 secs Computing kpt #: 12 total cpu time spent up to now is 44.7 secs Computing kpt #: 13 total cpu time spent up to now is 45.2 secs Computing kpt #: 14 total cpu time spent up to now is 45.6 secs Computing kpt #: 15 total cpu time spent up to now is 46.0 secs Computing kpt #: 16 total cpu time spent up to now is 46.4 secs Computing kpt #: 17 total cpu time spent up to now is 46.8 secs Computing kpt #: 18 total cpu time spent up to now is 47.2 secs Computing kpt #: 19 total cpu time spent up to now is 47.6 secs Computing kpt #: 20 total cpu time spent up to now is 48.0 secs Computing kpt #: 21 total cpu time spent up to now is 48.4 secs Computing kpt #: 22 total cpu time spent up to now is 48.7 secs Computing kpt #: 23 total cpu time spent up to now is 49.1 secs Computing kpt #: 24 total cpu time spent up to now is 49.5 secs Computing kpt #: 25 total cpu time spent up to now is 49.8 secs Computing kpt #: 26 total cpu time spent up to now is 50.2 secs Computing kpt #: 27 total cpu time spent up to now is 50.5 secs Computing kpt #: 28 total cpu time spent up to now is 50.9 secs Computing kpt #: 29 total cpu time spent up to now is 51.2 secs Computing kpt #: 30 total cpu time spent up to now is 51.6 secs Computing kpt #: 31 total cpu time spent up to now is 51.9 secs Computing kpt #: 32 total cpu time spent up to now is 52.3 secs Computing kpt #: 33 total cpu time spent up to now is 52.6 secs Computing kpt #: 34 total cpu time spent up to now is 52.9 secs Computing kpt #: 35 total cpu time spent up to now is 53.3 secs Computing kpt #: 36 total cpu time spent up to now is 53.6 secs Computing kpt #: 37 total cpu time spent up to now is 53.9 secs Computing kpt #: 38 total cpu time spent up to now is 54.3 secs Computing kpt #: 39 total cpu time spent up to now is 54.6 secs Computing kpt #: 40 total cpu time spent up to now is 55.0 secs Computing kpt #: 41 total cpu time spent up to now is 55.5 secs Computing kpt #: 42 total cpu time spent up to now is 55.9 secs Computing kpt #: 43 total cpu time spent up to now is 56.4 secs Computing kpt #: 44 total cpu time spent up to now is 56.8 secs Computing kpt #: 45 total cpu time spent up to now is 57.5 secs Computing kpt #: 46 total cpu time spent up to now is 57.8 secs Computing kpt #: 47 total cpu time spent up to now is 58.4 secs Computing kpt #: 48 total cpu time spent up to now is 58.7 secs Computing kpt #: 49 total cpu time spent up to now is 59.2 secs Computing kpt #: 50 total cpu time spent up to now is 59.6 secs Computing kpt #: 51 total cpu time spent up to now is 59.9 secs Computing kpt #: 52 total cpu time spent up to now is 60.2 secs Computing kpt #: 53 total cpu time spent up to now is 60.6 secs Computing kpt #: 54 total cpu time spent up to now is 60.9 secs Computing kpt #: 55 total cpu time spent up to now is 61.3 secs Computing kpt #: 56 total cpu time spent up to now is 61.7 secs Computing kpt #: 57 total cpu time spent up to now is 62.1 secs Computing kpt #: 58 total cpu time spent up to now is 62.5 secs Computing kpt #: 59 total cpu time spent up to now is 62.8 secs Computing kpt #: 60 total cpu time spent up to now is 63.4 secs Computing kpt #: 61 total cpu time spent up to now is 63.7 secs Computing kpt #: 62 total cpu time spent up to now is 64.1 secs Computing kpt #: 63 total cpu time spent up to now is 64.6 secs Computing kpt #: 64 total cpu time spent up to now is 64.9 secs Computing kpt #: 65 total cpu time spent up to now is 65.3 secs Computing kpt #: 66 total cpu time spent up to now is 65.6 secs Computing kpt #: 67 total cpu time spent up to now is 65.9 secs Computing kpt #: 68 total cpu time spent up to now is 66.3 secs Computing kpt #: 69 total cpu time spent up to now is 66.6 secs Computing kpt #: 70 total cpu time spent up to now is 67.0 secs Computing kpt #: 71 total cpu time spent up to now is 67.3 secs Computing kpt #: 72 total cpu time spent up to now is 67.7 secs Computing kpt #: 73 total cpu time spent up to now is 68.0 secs Computing kpt #: 74 total cpu time spent up to now is 68.4 secs Computing kpt #: 75 total cpu time spent up to now is 68.7 secs Computing kpt #: 76 total cpu time spent up to now is 69.0 secs Computing kpt #: 77 total cpu time spent up to now is 69.3 secs Computing kpt #: 78 total cpu time spent up to now is 69.7 secs Computing kpt #: 79 total cpu time spent up to now is 70.1 secs Computing kpt #: 80 total cpu time spent up to now is 70.5 secs Computing kpt #: 81 total cpu time spent up to now is 70.9 secs Computing kpt #: 82 total cpu time spent up to now is 71.3 secs Computing kpt #: 83 total cpu time spent up to now is 71.7 secs Computing kpt #: 84 total cpu time spent up to now is 72.1 secs Computing kpt #: 85 total cpu time spent up to now is 72.6 secs Computing kpt #: 86 total cpu time spent up to now is 73.0 secs Computing kpt #: 87 total cpu time spent up to now is 73.4 secs Computing kpt #: 88 total cpu time spent up to now is 73.7 secs Computing kpt #: 89 total cpu time spent up to now is 74.1 secs Computing kpt #: 90 total cpu time spent up to now is 74.4 secs Computing kpt #: 91 total cpu time spent up to now is 74.7 secs Computing kpt #: 92 total cpu time spent up to now is 75.1 secs Computing kpt #: 93 total cpu time spent up to now is 75.4 secs Computing kpt #: 94 total cpu time spent up to now is 75.8 secs Computing kpt #: 95 total cpu time spent up to now is 76.1 secs Computing kpt #: 96 total cpu time spent up to now is 76.4 secs Computing kpt #: 97 total cpu time spent up to now is 76.7 secs Computing kpt #: 98 total cpu time spent up to now is 77.0 secs Computing kpt #: 99 total cpu time spent up to now is 77.4 secs Computing kpt #: 100 total cpu time spent up to now is 77.7 secs Computing kpt #: 101 total cpu time spent up to now is 78.0 secs Computing kpt #: 102 total cpu time spent up to now is 78.3 secs Computing kpt #: 103 total cpu time spent up to now is 78.6 secs Computing kpt #: 104 total cpu time spent up to now is 79.0 secs Computing kpt #: 105 total cpu time spent up to now is 79.3 secs Computing kpt #: 106 total cpu time spent up to now is 79.6 secs Computing kpt #: 107 total cpu time spent up to now is 79.9 secs Computing kpt #: 108 total cpu time spent up to now is 80.7 secs Computing kpt #: 109 total cpu time spent up to now is 81.1 secs Computing kpt #: 110 total cpu time spent up to now is 81.6 secs Computing kpt #: 111 total cpu time spent up to now is 82.6 secs Computing kpt #: 112 total cpu time spent up to now is 83.3 secs Computing kpt #: 113 total cpu time spent up to now is 83.7 secs Computing kpt #: 114 total cpu time spent up to now is 84.2 secs Computing kpt #: 115 total cpu time spent up to now is 84.7 secs Computing kpt #: 116 total cpu time spent up to now is 85.2 secs Computing kpt #: 117 total cpu time spent up to now is 85.7 secs Computing kpt #: 118 total cpu time spent up to now is 86.5 secs Computing kpt #: 119 total cpu time spent up to now is 86.8 secs Computing kpt #: 120 total cpu time spent up to now is 87.1 secs Computing kpt #: 121 total cpu time spent up to now is 87.6 secs Computing kpt #: 122 total cpu time spent up to now is 88.0 secs Computing kpt #: 123 total cpu time spent up to now is 88.3 secs Computing kpt #: 124 total cpu time spent up to now is 88.6 secs Computing kpt #: 125 total cpu time spent up to now is 89.5 secs Computing kpt #: 126 total cpu time spent up to now is 89.9 secs Computing kpt #: 127 total cpu time spent up to now is 90.2 secs Computing kpt #: 128 total cpu time spent up to now is 90.6 secs Computing kpt #: 129 total cpu time spent up to now is 90.9 secs Computing kpt #: 130 total cpu time spent up to now is 91.2 secs Computing kpt #: 131 total cpu time spent up to now is 91.6 secs Computing kpt #: 132 total cpu time spent up to now is 91.9 secs Computing kpt #: 133 total cpu time spent up to now is 93.3 secs Computing kpt #: 134 total cpu time spent up to now is 93.6 secs Computing kpt #: 135 total cpu time spent up to now is 93.9 secs Computing kpt #: 136 total cpu time spent up to now is 94.3 secs Computing kpt #: 137 total cpu time spent up to now is 96.5 secs Computing kpt #: 138 total cpu time spent up to now is 96.8 secs Computing kpt #: 139 total cpu time spent up to now is 97.2 secs Computing kpt #: 140 total cpu time spent up to now is 97.5 secs Computing kpt #: 141 total cpu time spent up to now is 97.9 secs Computing kpt #: 142 total cpu time spent up to now is 98.2 secs Computing kpt #: 143 total cpu time spent up to now is 98.5 secs Computing kpt #: 144 total cpu time spent up to now is 98.9 secs Computing kpt #: 145 total cpu time spent up to now is 99.2 secs Computing kpt #: 146 total cpu time spent up to now is 99.6 secs Computing kpt #: 147 total cpu time spent up to now is 99.9 secs Computing kpt #: 148 total cpu time spent up to now is 100.3 secs Computing kpt #: 149 total cpu time spent up to now is 100.7 secs Computing kpt #: 150 total cpu time spent up to now is 101.0 secs Computing kpt #: 151 total cpu time spent up to now is 101.4 secs Computing kpt #: 152 total cpu time spent up to now is 102.7 secs Computing kpt #: 153 total cpu time spent up to now is 103.0 secs Computing kpt #: 154 total cpu time spent up to now is 103.6 secs Computing kpt #: 155 total cpu time spent up to now is 103.9 secs Computing kpt #: 156 total cpu time spent up to now is 104.6 secs Computing kpt #: 157 total cpu time spent up to now is 105.0 secs Computing kpt #: 158 total cpu time spent up to now is 105.9 secs Computing kpt #: 159 total cpu time spent up to now is 106.5 secs Computing kpt #: 160 total cpu time spent up to now is 107.0 secs Computing kpt #: 161 total cpu time spent up to now is 107.5 secs Computing kpt #: 162 total cpu time spent up to now is 107.9 secs Computing kpt #: 163 total cpu time spent up to now is 108.5 secs Computing kpt #: 164 total cpu time spent up to now is 109.1 secs Computing kpt #: 165 total cpu time spent up to now is 109.5 secs Computing kpt #: 166 total cpu time spent up to now is 110.0 secs Computing kpt #: 167 total cpu time spent up to now is 110.5 secs Computing kpt #: 168 total cpu time spent up to now is 110.9 secs Computing kpt #: 169 total cpu time spent up to now is 111.4 secs Computing kpt #: 170 total cpu time spent up to now is 111.9 secs Computing kpt #: 171 total cpu time spent up to now is 112.4 secs Computing kpt #: 172 total cpu time spent up to now is 112.9 secs Computing kpt #: 173 total cpu time spent up to now is 113.3 secs Computing kpt #: 174 total cpu time spent up to now is 113.8 secs Computing kpt #: 175 total cpu time spent up to now is 114.2 secs Computing kpt #: 176 total cpu time spent up to now is 114.6 secs Computing kpt #: 177 total cpu time spent up to now is 115.0 secs Computing kpt #: 178 total cpu time spent up to now is 115.5 secs Computing kpt #: 179 total cpu time spent up to now is 115.9 secs Computing kpt #: 180 total cpu time spent up to now is 116.3 secs Computing kpt #: 181 total cpu time spent up to now is 116.7 secs Computing kpt #: 182 total cpu time spent up to now is 117.0 secs Computing kpt #: 183 total cpu time spent up to now is 117.4 secs Computing kpt #: 184 total cpu time spent up to now is 117.8 secs Computing kpt #: 185 total cpu time spent up to now is 118.2 secs Computing kpt #: 186 total cpu time spent up to now is 118.6 secs Computing kpt #: 187 total cpu time spent up to now is 119.0 secs Computing kpt #: 188 total cpu time spent up to now is 119.4 secs Computing kpt #: 189 total cpu time spent up to now is 119.7 secs Computing kpt #: 190 total cpu time spent up to now is 120.2 secs Computing kpt #: 191 total cpu time spent up to now is 120.5 secs Computing kpt #: 192 total cpu time spent up to now is 120.9 secs Computing kpt #: 193 total cpu time spent up to now is 121.3 secs Computing kpt #: 194 total cpu time spent up to now is 121.7 secs Computing kpt #: 195 total cpu time spent up to now is 122.0 secs Computing kpt #: 196 total cpu time spent up to now is 122.4 secs Computing kpt #: 197 total cpu time spent up to now is 122.8 secs Computing kpt #: 198 total cpu time spent up to now is 123.1 secs Computing kpt #: 199 total cpu time spent up to now is 123.5 secs Computing kpt #: 200 total cpu time spent up to now is 123.8 secs Computing kpt #: 201 total cpu time spent up to now is 124.2 secs Computing kpt #: 202 total cpu time spent up to now is 124.5 secs Computing kpt #: 203 total cpu time spent up to now is 124.9 secs Computing kpt #: 204 total cpu time spent up to now is 125.3 secs Computing kpt #: 205 total cpu time spent up to now is 125.6 secs Computing kpt #: 206 total cpu time spent up to now is 126.0 secs Computing kpt #: 207 total cpu time spent up to now is 126.4 secs Computing kpt #: 208 total cpu time spent up to now is 126.8 secs Computing kpt #: 209 total cpu time spent up to now is 127.1 secs Computing kpt #: 210 total cpu time spent up to now is 127.5 secs Computing kpt #: 211 total cpu time spent up to now is 127.8 secs Computing kpt #: 212 total cpu time spent up to now is 128.2 secs Computing kpt #: 213 total cpu time spent up to now is 128.5 secs Computing kpt #: 214 total cpu time spent up to now is 128.9 secs Computing kpt #: 215 total cpu time spent up to now is 129.3 secs Computing kpt #: 216 total cpu time spent up to now is 129.7 secs Computing kpt #: 217 total cpu time spent up to now is 130.0 secs Computing kpt #: 218 total cpu time spent up to now is 130.4 secs Computing kpt #: 219 total cpu time spent up to now is 130.8 secs Computing kpt #: 220 total cpu time spent up to now is 131.2 secs Computing kpt #: 221 total cpu time spent up to now is 131.8 secs Computing kpt #: 222 total cpu time spent up to now is 132.2 secs Computing kpt #: 223 total cpu time spent up to now is 132.6 secs Computing kpt #: 224 total cpu time spent up to now is 133.1 secs Computing kpt #: 225 total cpu time spent up to now is 133.5 secs Computing kpt #: 226 total cpu time spent up to now is 133.9 secs Computing kpt #: 227 total cpu time spent up to now is 134.3 secs Computing kpt #: 228 total cpu time spent up to now is 134.7 secs Computing kpt #: 229 total cpu time spent up to now is 135.6 secs Computing kpt #: 230 total cpu time spent up to now is 136.1 secs Computing kpt #: 231 total cpu time spent up to now is 136.7 secs Computing kpt #: 232 total cpu time spent up to now is 137.0 secs Computing kpt #: 233 total cpu time spent up to now is 137.5 secs Computing kpt #: 234 total cpu time spent up to now is 137.9 secs Computing kpt #: 235 total cpu time spent up to now is 138.2 secs Computing kpt #: 236 total cpu time spent up to now is 138.6 secs Computing kpt #: 237 total cpu time spent up to now is 138.9 secs Computing kpt #: 238 total cpu time spent up to now is 139.2 secs Computing kpt #: 239 total cpu time spent up to now is 139.5 secs Computing kpt #: 240 total cpu time spent up to now is 139.9 secs Computing kpt #: 241 total cpu time spent up to now is 140.2 secs Computing kpt #: 242 total cpu time spent up to now is 140.5 secs Computing kpt #: 243 total cpu time spent up to now is 140.8 secs Computing kpt #: 244 total cpu time spent up to now is 141.2 secs Computing kpt #: 245 total cpu time spent up to now is 141.5 secs Computing kpt #: 246 total cpu time spent up to now is 141.8 secs Computing kpt #: 247 total cpu time spent up to now is 142.2 secs Computing kpt #: 248 total cpu time spent up to now is 142.5 secs Computing kpt #: 249 total cpu time spent up to now is 142.8 secs Computing kpt #: 250 total cpu time spent up to now is 143.2 secs Computing kpt #: 251 total cpu time spent up to now is 143.5 secs Computing kpt #: 252 total cpu time spent up to now is 143.8 secs Computing kpt #: 253 total cpu time spent up to now is 144.2 secs Computing kpt #: 254 total cpu time spent up to now is 144.5 secs Computing kpt #: 255 total cpu time spent up to now is 144.8 secs Computing kpt #: 256 total cpu time spent up to now is 145.2 secs Computing kpt #: 257 total cpu time spent up to now is 145.5 secs Computing kpt #: 258 total cpu time spent up to now is 145.9 secs Computing kpt #: 259 total cpu time spent up to now is 146.2 secs Computing kpt #: 260 total cpu time spent up to now is 146.6 secs Computing kpt #: 261 total cpu time spent up to now is 146.9 secs Computing kpt #: 262 total cpu time spent up to now is 147.3 secs Computing kpt #: 263 total cpu time spent up to now is 147.6 secs Computing kpt #: 264 total cpu time spent up to now is 148.0 secs Computing kpt #: 265 total cpu time spent up to now is 148.3 secs Computing kpt #: 266 total cpu time spent up to now is 148.7 secs Computing kpt #: 267 total cpu time spent up to now is 149.1 secs Computing kpt #: 268 total cpu time spent up to now is 149.4 secs Computing kpt #: 269 total cpu time spent up to now is 149.8 secs Computing kpt #: 270 total cpu time spent up to now is 150.2 secs Computing kpt #: 271 total cpu time spent up to now is 150.6 secs Computing kpt #: 272 total cpu time spent up to now is 151.0 secs Computing kpt #: 273 total cpu time spent up to now is 151.3 secs Computing kpt #: 274 total cpu time spent up to now is 155.2 secs Computing kpt #: 275 total cpu time spent up to now is 155.6 secs Computing kpt #: 276 total cpu time spent up to now is 156.0 secs Computing kpt #: 277 total cpu time spent up to now is 156.4 secs Computing kpt #: 278 total cpu time spent up to now is 156.8 secs Computing kpt #: 279 total cpu time spent up to now is 157.1 secs Computing kpt #: 280 total cpu time spent up to now is 157.6 secs Computing kpt #: 281 total cpu time spent up to now is 157.9 secs Computing kpt #: 282 total cpu time spent up to now is 158.4 secs Computing kpt #: 283 total cpu time spent up to now is 158.8 secs Computing kpt #: 284 total cpu time spent up to now is 159.2 secs Computing kpt #: 285 total cpu time spent up to now is 159.6 secs Computing kpt #: 286 total cpu time spent up to now is 160.0 secs Computing kpt #: 287 total cpu time spent up to now is 160.5 secs Computing kpt #: 288 total cpu time spent up to now is 160.9 secs Computing kpt #: 289 total cpu time spent up to now is 161.3 secs Computing kpt #: 290 total cpu time spent up to now is 161.7 secs Computing kpt #: 291 total cpu time spent up to now is 162.3 secs Computing kpt #: 292 total cpu time spent up to now is 162.7 secs Computing kpt #: 293 total cpu time spent up to now is 163.1 secs Computing kpt #: 294 total cpu time spent up to now is 163.7 secs Computing kpt #: 295 total cpu time spent up to now is 164.2 secs Computing kpt #: 296 total cpu time spent up to now is 164.6 secs Computing kpt #: 297 total cpu time spent up to now is 165.1 secs Computing kpt #: 298 total cpu time spent up to now is 165.4 secs Computing kpt #: 299 total cpu time spent up to now is 165.8 secs Computing kpt #: 300 total cpu time spent up to now is 166.1 secs Computing kpt #: 301 total cpu time spent up to now is 166.5 secs Computing kpt #: 302 total cpu time spent up to now is 166.8 secs Computing kpt #: 303 total cpu time spent up to now is 167.2 secs Computing kpt #: 304 total cpu time spent up to now is 167.5 secs Computing kpt #: 305 total cpu time spent up to now is 167.9 secs Computing kpt #: 306 total cpu time spent up to now is 168.2 secs Computing kpt #: 307 total cpu time spent up to now is 168.6 secs Computing kpt #: 308 total cpu time spent up to now is 168.9 secs Computing kpt #: 309 total cpu time spent up to now is 169.2 secs Computing kpt #: 310 total cpu time spent up to now is 169.5 secs Computing kpt #: 311 total cpu time spent up to now is 169.9 secs Computing kpt #: 312 total cpu time spent up to now is 170.2 secs Computing kpt #: 313 total cpu time spent up to now is 170.5 secs Computing kpt #: 314 total cpu time spent up to now is 170.8 secs Computing kpt #: 315 total cpu time spent up to now is 171.2 secs Computing kpt #: 316 total cpu time spent up to now is 171.5 secs Computing kpt #: 317 total cpu time spent up to now is 171.8 secs Computing kpt #: 318 total cpu time spent up to now is 172.1 secs Computing kpt #: 319 total cpu time spent up to now is 172.4 secs Computing kpt #: 320 total cpu time spent up to now is 172.7 secs Computing kpt #: 321 total cpu time spent up to now is 173.0 secs Computing kpt #: 322 total cpu time spent up to now is 173.4 secs Computing kpt #: 323 total cpu time spent up to now is 173.7 secs Computing kpt #: 324 total cpu time spent up to now is 174.0 secs Computing kpt #: 325 total cpu time spent up to now is 174.4 secs Computing kpt #: 326 total cpu time spent up to now is 174.7 secs Computing kpt #: 327 total cpu time spent up to now is 175.0 secs Computing kpt #: 328 total cpu time spent up to now is 175.4 secs Computing kpt #: 329 total cpu time spent up to now is 175.7 secs Computing kpt #: 330 total cpu time spent up to now is 176.1 secs Computing kpt #: 331 total cpu time spent up to now is 176.4 secs Computing kpt #: 332 total cpu time spent up to now is 176.8 secs Computing kpt #: 333 total cpu time spent up to now is 177.1 secs Computing kpt #: 334 total cpu time spent up to now is 177.5 secs Computing kpt #: 335 total cpu time spent up to now is 177.8 secs Computing kpt #: 336 total cpu time spent up to now is 178.2 secs Computing kpt #: 337 total cpu time spent up to now is 178.5 secs Computing kpt #: 338 total cpu time spent up to now is 178.9 secs Computing kpt #: 339 total cpu time spent up to now is 179.3 secs Computing kpt #: 340 total cpu time spent up to now is 179.6 secs Computing kpt #: 341 total cpu time spent up to now is 180.0 secs Computing kpt #: 342 total cpu time spent up to now is 180.4 secs Computing kpt #: 343 total cpu time spent up to now is 180.9 secs Computing kpt #: 344 total cpu time spent up to now is 181.4 secs Computing kpt #: 345 total cpu time spent up to now is 182.0 secs Computing kpt #: 346 total cpu time spent up to now is 182.3 secs Computing kpt #: 347 total cpu time spent up to now is 182.8 secs Computing kpt #: 348 total cpu time spent up to now is 183.4 secs Computing kpt #: 349 total cpu time spent up to now is 184.0 secs Computing kpt #: 350 total cpu time spent up to now is 184.9 secs Computing kpt #: 351 total cpu time spent up to now is 185.5 secs Computing kpt #: 352 total cpu time spent up to now is 185.9 secs Computing kpt #: 353 total cpu time spent up to now is 186.7 secs Computing kpt #: 354 total cpu time spent up to now is 187.3 secs Computing kpt #: 355 total cpu time spent up to now is 187.8 secs Computing kpt #: 356 total cpu time spent up to now is 188.1 secs Computing kpt #: 357 total cpu time spent up to now is 188.5 secs Computing kpt #: 358 total cpu time spent up to now is 188.8 secs Computing kpt #: 359 total cpu time spent up to now is 189.2 secs Computing kpt #: 360 total cpu time spent up to now is 189.5 secs Computing kpt #: 361 total cpu time spent up to now is 189.8 secs Computing kpt #: 362 total cpu time spent up to now is 190.2 secs Computing kpt #: 363 total cpu time spent up to now is 190.5 secs Computing kpt #: 364 total cpu time spent up to now is 190.8 secs Computing kpt #: 365 total cpu time spent up to now is 191.2 secs Computing kpt #: 366 total cpu time spent up to now is 191.5 secs Computing kpt #: 367 total cpu time spent up to now is 191.9 secs Computing kpt #: 368 total cpu time spent up to now is 192.2 secs Computing kpt #: 369 total cpu time spent up to now is 192.5 secs Computing kpt #: 370 total cpu time spent up to now is 192.9 secs Computing kpt #: 371 total cpu time spent up to now is 193.2 secs Computing kpt #: 372 total cpu time spent up to now is 193.5 secs Computing kpt #: 373 total cpu time spent up to now is 193.9 secs Computing kpt #: 374 total cpu time spent up to now is 194.2 secs Computing kpt #: 375 total cpu time spent up to now is 194.6 secs Computing kpt #: 376 total cpu time spent up to now is 194.9 secs Computing kpt #: 377 total cpu time spent up to now is 195.3 secs Computing kpt #: 378 total cpu time spent up to now is 195.7 secs Computing kpt #: 379 total cpu time spent up to now is 196.1 secs Computing kpt #: 380 total cpu time spent up to now is 197.4 secs Computing kpt #: 381 total cpu time spent up to now is 198.0 secs Computing kpt #: 382 total cpu time spent up to now is 198.4 secs Computing kpt #: 383 total cpu time spent up to now is 198.8 secs Computing kpt #: 384 total cpu time spent up to now is 199.1 secs Computing kpt #: 385 total cpu time spent up to now is 199.6 secs Computing kpt #: 386 total cpu time spent up to now is 200.2 secs Computing kpt #: 387 total cpu time spent up to now is 200.8 secs Computing kpt #: 388 total cpu time spent up to now is 201.4 secs Computing kpt #: 389 total cpu time spent up to now is 201.8 secs Computing kpt #: 390 total cpu time spent up to now is 202.1 secs Computing kpt #: 391 total cpu time spent up to now is 202.5 secs Computing kpt #: 392 total cpu time spent up to now is 202.9 secs Computing kpt #: 393 total cpu time spent up to now is 203.2 secs Computing kpt #: 394 total cpu time spent up to now is 203.6 secs Computing kpt #: 395 total cpu time spent up to now is 204.0 secs Computing kpt #: 396 total cpu time spent up to now is 204.4 secs Computing kpt #: 397 total cpu time spent up to now is 204.8 secs Computing kpt #: 398 total cpu time spent up to now is 205.1 secs Computing kpt #: 399 total cpu time spent up to now is 205.5 secs Computing kpt #: 400 total cpu time spent up to now is 205.9 secs Computing kpt #: 401 total cpu time spent up to now is 206.2 secs Computing kpt #: 402 total cpu time spent up to now is 206.6 secs Computing kpt #: 403 total cpu time spent up to now is 207.0 secs Computing kpt #: 404 total cpu time spent up to now is 207.4 secs Computing kpt #: 405 total cpu time spent up to now is 207.8 secs Computing kpt #: 406 total cpu time spent up to now is 208.1 secs Computing kpt #: 407 total cpu time spent up to now is 208.5 secs Computing kpt #: 408 total cpu time spent up to now is 208.9 secs Computing kpt #: 409 total cpu time spent up to now is 209.3 secs Computing kpt #: 410 total cpu time spent up to now is 209.6 secs Computing kpt #: 411 total cpu time spent up to now is 210.0 secs Computing kpt #: 412 total cpu time spent up to now is 210.4 secs Computing kpt #: 413 total cpu time spent up to now is 210.7 secs Computing kpt #: 414 total cpu time spent up to now is 211.1 secs Computing kpt #: 415 total cpu time spent up to now is 211.5 secs Computing kpt #: 416 total cpu time spent up to now is 211.8 secs Computing kpt #: 417 total cpu time spent up to now is 212.2 secs Computing kpt #: 418 total cpu time spent up to now is 212.6 secs Computing kpt #: 419 total cpu time spent up to now is 213.1 secs Computing kpt #: 420 total cpu time spent up to now is 213.5 secs Computing kpt #: 421 total cpu time spent up to now is 213.8 secs Computing kpt #: 422 total cpu time spent up to now is 214.2 secs Computing kpt #: 423 total cpu time spent up to now is 214.8 secs Computing kpt #: 424 total cpu time spent up to now is 215.2 secs Computing kpt #: 425 total cpu time spent up to now is 215.6 secs Computing kpt #: 426 total cpu time spent up to now is 216.0 secs Computing kpt #: 427 total cpu time spent up to now is 216.3 secs Computing kpt #: 428 total cpu time spent up to now is 216.7 secs Computing kpt #: 429 total cpu time spent up to now is 217.1 secs Computing kpt #: 430 total cpu time spent up to now is 217.4 secs Computing kpt #: 431 total cpu time spent up to now is 217.7 secs Computing kpt #: 432 total cpu time spent up to now is 218.2 secs Computing kpt #: 433 total cpu time spent up to now is 218.6 secs Computing kpt #: 434 total cpu time spent up to now is 219.0 secs Computing kpt #: 435 total cpu time spent up to now is 219.3 secs Computing kpt #: 436 total cpu time spent up to now is 219.7 secs Computing kpt #: 437 total cpu time spent up to now is 220.0 secs Computing kpt #: 438 total cpu time spent up to now is 220.3 secs Computing kpt #: 439 total cpu time spent up to now is 220.7 secs Computing kpt #: 440 total cpu time spent up to now is 221.1 secs Computing kpt #: 441 total cpu time spent up to now is 221.4 secs Computing kpt #: 442 total cpu time spent up to now is 221.7 secs Computing kpt #: 443 total cpu time spent up to now is 222.1 secs Computing kpt #: 444 total cpu time spent up to now is 222.4 secs Computing kpt #: 445 total cpu time spent up to now is 222.7 secs Computing kpt #: 446 total cpu time spent up to now is 223.1 secs Computing kpt #: 447 total cpu time spent up to now is 223.4 secs Computing kpt #: 448 total cpu time spent up to now is 223.8 secs Computing kpt #: 449 total cpu time spent up to now is 224.1 secs Computing kpt #: 450 total cpu time spent up to now is 224.4 secs Computing kpt #: 451 total cpu time spent up to now is 224.8 secs Computing kpt #: 452 total cpu time spent up to now is 225.1 secs Computing kpt #: 453 total cpu time spent up to now is 225.4 secs Computing kpt #: 454 total cpu time spent up to now is 225.8 secs Computing kpt #: 455 total cpu time spent up to now is 226.1 secs Computing kpt #: 456 total cpu time spent up to now is 226.4 secs Computing kpt #: 457 total cpu time spent up to now is 226.8 secs Computing kpt #: 458 total cpu time spent up to now is 227.1 secs Computing kpt #: 459 total cpu time spent up to now is 227.5 secs Computing kpt #: 460 total cpu time spent up to now is 227.8 secs Computing kpt #: 461 total cpu time spent up to now is 228.1 secs Computing kpt #: 462 total cpu time spent up to now is 228.5 secs Computing kpt #: 463 total cpu time spent up to now is 228.8 secs Computing kpt #: 464 total cpu time spent up to now is 229.2 secs Computing kpt #: 465 total cpu time spent up to now is 229.5 secs Computing kpt #: 466 total cpu time spent up to now is 229.8 secs Computing kpt #: 467 total cpu time spent up to now is 230.1 secs Computing kpt #: 468 total cpu time spent up to now is 230.6 secs Computing kpt #: 469 total cpu time spent up to now is 231.0 secs Computing kpt #: 470 total cpu time spent up to now is 231.4 secs Computing kpt #: 471 total cpu time spent up to now is 231.8 secs Computing kpt #: 472 total cpu time spent up to now is 232.1 secs Computing kpt #: 473 total cpu time spent up to now is 232.4 secs Computing kpt #: 474 total cpu time spent up to now is 232.7 secs ethr = 4.17E-11, avg # of iterations = 17.4 total cpu time spent up to now is 232.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1385 PWs) bands (ev): -57.0803 -57.0803 -28.3806 -28.3806 -18.6678 -18.6678 -18.4451 -18.4451 -3.1064 -3.1064 5.5572 5.5572 6.3944 6.3944 11.4402 11.4402 11.5584 11.5584 15.3173 15.3173 15.5035 15.5035 16.4725 16.4725 18.7139 18.7139 19.1396 19.1396 20.9914 20.9914 21.6899 21.6899 k = 0.0079 0.0046-0.0000 ( 1385 PWs) bands (ev): -57.0802 -57.0802 -28.3807 -28.3807 -18.6678 -18.6678 -18.4455 -18.4455 -3.1056 -3.1056 5.5565 5.5565 6.3957 6.3957 11.4390 11.4390 11.5575 11.5575 15.3164 15.3164 15.5025 15.5025 16.4704 16.4704 18.7146 18.7146 19.1398 19.1398 20.9974 20.9974 21.6909 21.6909 k = 0.0159 0.0092-0.0000 ( 1389 PWs) bands (ev): -57.0801 -57.0801 -28.3811 -28.3811 -18.6680 -18.6680 -18.4468 -18.4468 -3.1031 -3.1031 5.5542 5.5542 6.3997 6.3997 11.4354 11.4354 11.5549 11.5549 15.3136 15.3136 15.4996 15.4996 16.4641 16.4641 18.7169 18.7169 19.1404 19.1404 21.0153 21.0153 21.6936 21.6936 k = 0.0238 0.0137-0.0000 ( 1393 PWs) bands (ev): -57.0800 -57.0800 -28.3816 -28.3816 -18.6683 -18.6683 -18.4489 -18.4489 -3.0990 -3.0990 5.5504 5.5504 6.4063 6.4063 11.4281 11.4281 11.5519 11.5519 15.3089 15.3089 15.4948 15.4948 16.4537 16.4537 18.7208 18.7208 19.1416 19.1416 21.0448 21.0448 21.6979 21.6979 k = 0.0317 0.0183-0.0000 ( 1397 PWs) bands (ev): -57.0797 -57.0797 -28.3824 -28.3824 -18.6687 -18.6687 -18.4518 -18.4518 -3.0931 -3.0931 5.5451 5.5451 6.4156 6.4156 11.4160 11.4160 11.5498 11.5498 15.3021 15.3021 15.4883 15.4883 16.4391 16.4391 18.7262 18.7262 19.1434 19.1434 21.0857 21.0857 21.7033 21.7033 k = 0.0397 0.0229-0.0000 ( 1397 PWs) bands (ev): -57.0794 -57.0794 -28.3833 -28.3833 -18.6692 -18.6692 -18.4556 -18.4556 -3.0857 -3.0857 5.5384 5.5384 6.4274 6.4274 11.3979 11.3979 11.5499 11.5499 15.2932 15.2932 15.4803 15.4803 16.4206 16.4206 18.7332 18.7332 19.1460 19.1460 21.1375 21.1375 21.7094 21.7094 k = 0.0476 0.0275-0.0000 ( 1397 PWs) bands (ev): -57.0790 -57.0790 -28.3844 -28.3844 -18.6699 -18.6699 -18.4600 -18.4600 -3.0766 -3.0766 5.5302 5.5302 6.4418 6.4418 11.3733 11.3733 11.5529 11.5529 15.2819 15.2819 15.4709 15.4709 16.3982 16.3982 18.7418 18.7418 19.1498 19.1498 21.1996 21.1996 21.7156 21.7156 k = 0.0556 0.0321-0.0000 ( 1401 PWs) bands (ev): -57.0786 -57.0786 -28.3858 -28.3858 -18.6707 -18.6707 -18.4653 -18.4653 -3.0660 -3.0660 5.5206 5.5206 6.4586 6.4586 11.3424 11.3424 11.5589 11.5589 15.2682 15.2682 15.4605 15.4605 16.3720 16.3720 18.7520 18.7520 19.1548 19.1548 21.2715 21.2715 21.7213 21.7213 k = 0.0635 0.0367-0.0000 ( 1401 PWs) bands (ev): -57.0781 -57.0781 -28.3873 -28.3873 -18.6717 -18.6717 -18.4712 -18.4712 -3.0538 -3.0538 5.5096 5.5096 6.4778 6.4778 11.3055 11.3055 11.5676 11.5676 15.2518 15.2518 15.4492 15.4492 16.3424 16.3424 18.7638 18.7638 19.1614 19.1614 21.3525 21.3525 21.7265 21.7265 k = 0.0714 0.0412-0.0000 ( 1397 PWs) bands (ev): -57.0775 -57.0775 -28.3890 -28.3890 -18.6729 -18.6729 -18.4778 -18.4778 -3.0400 -3.0400 5.4973 5.4973 6.4994 6.4994 11.2635 11.2635 11.5787 11.5787 15.2327 15.2327 15.4372 15.4372 16.3094 16.3094 18.7771 18.7771 19.1696 19.1696 21.4418 21.4418 21.7309 21.7309 k = 0.0794 0.0458-0.0000 ( 1395 PWs) bands (ev): -57.0768 -57.0768 -28.3909 -28.3909 -18.6743 -18.6743 -18.4850 -18.4850 -3.0247 -3.0247 5.4838 5.4838 6.5232 6.5232 11.2167 11.2167 11.5919 11.5919 15.2109 15.2109 15.4247 15.4247 16.2734 16.2734 18.7919 18.7919 19.1797 19.1797 21.5382 21.5382 21.7353 21.7353 k = 0.0873 0.0504-0.0000 ( 1391 PWs) bands (ev): -57.0761 -57.0761 -28.3929 -28.3929 -18.6759 -18.6759 -18.4927 -18.4927 -3.0080 -3.0080 5.4690 5.4690 6.5491 6.5491 11.1657 11.1657 11.6069 11.6069 15.1863 15.1863 15.4116 15.4116 16.2346 16.2346 18.8080 18.8080 19.1918 19.1918 21.6381 21.6381 21.7428 21.7428 k = 0.0952 0.0550-0.0000 ( 1387 PWs) bands (ev): -57.0753 -57.0753 -28.3952 -28.3952 -18.6779 -18.6779 -18.5009 -18.5009 -2.9898 -2.9898 5.4530 5.4530 6.5771 6.5771 11.1111 11.1111 11.6236 11.6236 15.1592 15.1592 15.3981 15.3981 16.1933 16.1933 18.8253 18.8253 19.2059 19.2059 21.7119 21.7119 21.7826 21.7826 k = 0.1032 0.0596-0.0000 ( 1387 PWs) bands (ev): -57.0745 -57.0745 -28.3976 -28.3976 -18.6803 -18.6803 -18.5095 -18.5095 -2.9702 -2.9702 5.4359 5.4359 6.6070 6.6070 11.0532 11.0532 11.6417 11.6417 15.1296 15.1296 15.3839 15.3839 16.1499 16.1499 18.8438 18.8438 19.2223 19.2223 21.7269 21.7269 21.8868 21.8868 k = 0.1111 0.0642-0.0000 ( 1383 PWs) bands (ev): -57.0736 -57.0736 -28.4002 -28.4002 -18.6830 -18.6830 -18.5183 -18.5183 -2.9493 -2.9493 5.4178 5.4178 6.6387 6.6387 10.9924 10.9924 11.6613 11.6613 15.0977 15.0977 15.3692 15.3692 16.1046 16.1046 18.8633 18.8633 19.2408 19.2408 21.7309 21.7309 22.0073 22.0073 k = 0.1190 0.0687-0.0000 ( 1383 PWs) bands (ev): -57.0727 -57.0727 -28.4030 -28.4030 -18.6863 -18.6863 -18.5273 -18.5273 -2.9271 -2.9271 5.3986 5.3986 6.6720 6.6720 10.9292 10.9292 11.6821 11.6821 15.0638 15.0638 15.3538 15.3538 16.0579 16.0579 18.8837 18.8837 19.2615 19.2615 21.7334 21.7334 22.1330 22.1330 k = 0.1270 0.0733-0.0000 ( 1383 PWs) bands (ev): -57.0717 -57.0717 -28.4059 -28.4059 -18.6903 -18.6903 -18.5363 -18.5363 -2.9036 -2.9036 5.3785 5.3785 6.7069 6.7069 10.8639 10.8639 11.7040 11.7040 15.0280 15.0280 15.3376 15.3376 16.0100 16.0100 18.9051 18.9051 19.2843 19.2843 21.7361 21.7361 22.2592 22.2592 k = 0.1349 0.0779-0.0000 ( 1381 PWs) bands (ev): -57.0707 -57.0707 -28.4090 -28.4090 -18.6949 -18.6949 -18.5452 -18.5452 -2.8790 -2.8790 5.3575 5.3575 6.7432 6.7432 10.7968 10.7968 11.7269 11.7269 14.9906 14.9906 15.3206 15.3206 15.9612 15.9612 18.9274 18.9274 19.3092 19.3092 21.7394 21.7394 22.3761 22.3761 k = 0.1429 0.0825-0.0000 ( 1385 PWs) bands (ev): -57.0696 -57.0696 -28.4122 -28.4122 -18.7004 -18.7004 -18.5539 -18.5539 -2.8532 -2.8532 5.3356 5.3356 6.7806 6.7806 10.7284 10.7284 11.7508 11.7508 14.9517 14.9517 15.3026 15.3026 15.9120 15.9120 18.9506 18.9506 19.3359 19.3359 21.7436 21.7436 22.4715 22.4715 k = 0.1508 0.0871-0.0000 ( 1377 PWs) bands (ev): -57.0685 -57.0685 -28.4156 -28.4156 -18.7067 -18.7067 -18.5620 -18.5620 -2.8264 -2.8264 5.3131 5.3131 6.8191 6.8191 10.6590 10.6590 11.7756 11.7756 14.9116 14.9116 15.2837 15.2837 15.8626 15.8626 18.9748 18.9748 19.3643 19.3643 21.7492 21.7492 22.5503 22.5503 k = 0.1587 0.0916-0.0000 ( 1373 PWs) bands (ev): -57.0673 -57.0673 -28.4190 -28.4190 -18.7141 -18.7141 -18.5697 -18.5697 -2.7985 -2.7985 5.2898 5.2898 6.8584 6.8584 10.5888 10.5888 11.8011 11.8011 14.8705 14.8705 15.2637 15.2637 15.8134 15.8134 19.0000 19.0000 19.3943 19.3943 21.7562 21.7562 22.6233 22.6233 k = 0.1667 0.0962-0.0000 ( 1377 PWs) bands (ev): -57.0661 -57.0661 -28.4226 -28.4226 -18.7226 -18.7226 -18.5768 -18.5768 -2.7697 -2.7697 5.2658 5.2658 6.8983 6.8983 10.5182 10.5182 11.8272 11.8272 14.8286 14.8286 15.2427 15.2427 15.7647 15.7647 19.0263 19.0263 19.4256 19.4256 21.7648 21.7648 22.6949 22.6949 k = 0.1746 0.1008-0.0000 ( 1375 PWs) bands (ev): -57.0648 -57.0648 -28.4263 -28.4263 -18.7321 -18.7321 -18.5831 -18.5831 -2.7400 -2.7400 5.2414 5.2414 6.9388 6.9388 10.4475 10.4475 11.8538 11.8538 14.7859 14.7859 15.2206 15.2206 15.7166 15.7166 19.0538 19.0538 19.4583 19.4583 21.7752 21.7752 22.7667 22.7667 k = 0.1825 0.1054-0.0000 ( 1375 PWs) bands (ev): -57.0636 -57.0636 -28.4301 -28.4301 -18.7428 -18.7428 -18.5887 -18.5887 -2.7095 -2.7095 5.2164 5.2164 6.9795 6.9795 10.3770 10.3770 11.8809 11.8809 14.7428 14.7428 15.1974 15.1974 15.6696 15.6696 19.0826 19.0826 19.4919 19.4919 21.7874 21.7874 22.8390 22.8390 k = 0.1905 0.1100-0.0000 ( 1371 PWs) bands (ev): -57.0623 -57.0623 -28.4340 -28.4340 -18.7544 -18.7544 -18.5936 -18.5936 -2.6782 -2.6782 5.1909 5.1909 7.0202 7.0202 10.3068 10.3068 11.9083 11.9083 14.6994 14.6994 15.1732 15.1732 15.6239 15.6239 19.1128 19.1128 19.5265 19.5265 21.8016 21.8016 22.9118 22.9118 k = 0.1984 0.1146-0.0000 ( 1371 PWs) bands (ev): -57.0609 -57.0609 -28.4380 -28.4380 -18.7669 -18.7669 -18.5978 -18.5978 -2.6463 -2.6463 5.1652 5.1652 7.0607 7.0607 10.2374 10.2374 11.9359 11.9359 14.6557 14.6557 15.1481 15.1481 15.5796 15.5796 19.1444 19.1444 19.5620 19.5620 21.8177 21.8177 22.9853 22.9853 k = 0.2063 0.1191-0.0000 ( 1369 PWs) bands (ev): -57.0596 -57.0596 -28.4421 -28.4421 -18.7803 -18.7803 -18.6014 -18.6014 -2.6138 -2.6138 5.1391 5.1391 7.1008 7.1008 10.1688 10.1688 11.9637 11.9637 14.6120 14.6120 15.1220 15.1220 15.5370 15.5370 19.1775 19.1775 19.5981 19.5981 21.8358 21.8358 23.0591 23.0591 k = 0.2143 0.1237-0.0000 ( 1373 PWs) bands (ev): -57.0582 -57.0582 -28.4462 -28.4462 -18.7944 -18.7944 -18.6045 -18.6045 -2.5808 -2.5808 5.1128 5.1128 7.1402 7.1402 10.1014 10.1014 11.9915 11.9915 14.5683 14.5683 15.0951 15.0951 15.4963 15.4963 19.2121 19.2121 19.6348 19.6348 21.8559 21.8559 23.1333 23.1333 k = 0.2222 0.1283-0.0000 ( 1377 PWs) bands (ev): -57.0568 -57.0568 -28.4504 -28.4504 -18.8091 -18.8091 -18.6071 -18.6071 -2.5473 -2.5473 5.0863 5.0863 7.1788 7.1788 10.0353 10.0353 12.0193 12.0193 14.5248 14.5248 15.0675 15.0675 15.4575 15.4575 19.2484 19.2484 19.6720 19.6720 21.8779 21.8779 23.2075 23.2075 k = 0.2302 0.1329-0.0000 ( 1381 PWs) bands (ev): -57.0554 -57.0554 -28.4546 -28.4546 -18.8242 -18.8242 -18.6094 -18.6094 -2.5134 -2.5134 5.0597 5.0597 7.2162 7.2162 9.9709 9.9709 12.0469 12.0469 14.4816 14.4816 15.0394 15.0394 15.4210 15.4210 19.2862 19.2862 19.7098 19.7098 21.9019 21.9019 23.2818 23.2818 k = 0.2381 0.1375-0.0000 ( 1385 PWs) bands (ev): -57.0540 -57.0540 -28.4589 -28.4589 -18.8398 -18.8398 -18.6112 -18.6112 -2.4792 -2.4792 5.0331 5.0331 7.2522 7.2522 9.9082 9.9082 12.0742 12.0742 14.4389 14.4389 15.0109 15.0109 15.3867 15.3867 19.3256 19.3256 19.7481 19.7481 21.9278 21.9278 23.3558 23.3558 k = 0.2460 0.1420-0.0000 ( 1385 PWs) bands (ev): -57.0526 -57.0526 -28.4632 -28.4632 -18.8555 -18.8555 -18.6128 -18.6128 -2.4449 -2.4449 5.0065 5.0065 7.2866 7.2866 9.8474 9.8474 12.1013 12.1013 14.3966 14.3966 14.9821 14.9821 15.3547 15.3547 19.3666 19.3666 19.7869 19.7869 21.9555 21.9555 23.4296 23.4296 k = 0.2540 0.1466-0.0000 ( 1385 PWs) bands (ev): -57.0512 -57.0512 -28.4675 -28.4675 -18.8715 -18.8715 -18.6141 -18.6141 -2.4104 -2.4104 4.9800 4.9800 7.3193 7.3193 9.7888 9.7888 12.1280 12.1280 14.3550 14.3550 14.9531 14.9531 15.3252 15.3252 19.4091 19.4091 19.8261 19.8261 21.9850 21.9850 23.5027 23.5027 k = 0.2619 0.1512-0.0000 ( 1385 PWs) bands (ev): -57.0498 -57.0498 -28.4717 -28.4717 -18.8876 -18.8876 -18.6152 -18.6152 -2.3758 -2.3758 4.9537 4.9537 7.3499 7.3499 9.7325 9.7325 12.1542 12.1542 14.3140 14.3140 14.9242 14.9242 15.2983 15.2983 19.4529 19.4529 19.8660 19.8660 22.0160 22.0160 23.5752 23.5752 k = 0.2698 0.1558-0.0000 ( 1385 PWs) bands (ev): -57.0484 -57.0484 -28.4760 -28.4760 -18.9037 -18.9037 -18.6161 -18.6161 -2.3413 -2.3413 4.9276 4.9276 7.3784 7.3784 9.6786 9.6786 12.1799 12.1799 14.2738 14.2738 14.8953 14.8953 15.2740 15.2740 19.4981 19.4981 19.9064 19.9064 22.0486 22.0486 23.6469 23.6469 k = 0.2778 0.1604-0.0000 ( 1381 PWs) bands (ev): -57.0469 -57.0469 -28.4802 -28.4802 -18.9197 -18.9197 -18.6169 -18.6169 -2.3069 -2.3069 4.9018 4.9018 7.4044 7.4044 9.6272 9.6272 12.2049 12.2049 14.2344 14.2344 14.8667 14.8667 15.2524 15.2524 19.5445 19.5445 19.9476 19.9476 22.0826 22.0826 23.7176 23.7176 k = 0.2857 0.1650-0.0000 ( 1381 PWs) bands (ev): -57.0456 -57.0456 -28.4844 -28.4844 -18.9357 -18.9357 -18.6175 -18.6175 -2.2727 -2.2727 4.8763 4.8763 7.4280 7.4280 9.5784 9.5784 12.2293 12.2293 14.1959 14.1959 14.8383 14.8383 15.2335 15.2335 19.5918 19.5918 19.9894 19.9894 22.1178 22.1178 23.7872 23.7872 k = 0.2937 0.1695-0.0000 ( 1389 PWs) bands (ev): -57.0442 -57.0442 -28.4887 -28.4887 -18.9516 -18.9516 -18.6181 -18.6181 -2.2388 -2.2388 4.8513 4.8513 7.4490 7.4490 9.5324 9.5324 12.2530 12.2530 14.1583 14.1583 14.8102 14.8102 15.2175 15.2175 19.6399 19.6399 20.0322 20.0322 22.1540 22.1540 23.8554 23.8554 k = 0.3016 0.1741-0.0000 ( 1381 PWs) bands (ev): -57.0428 -57.0428 -28.4927 -28.4927 -18.9672 -18.9672 -18.6185 -18.6185 -2.2052 -2.2052 4.8266 4.8266 7.4673 7.4673 9.4891 9.4891 12.2759 12.2759 14.1218 14.1218 14.7826 14.7826 15.2043 15.2043 19.6886 19.6886 20.0759 20.0759 22.1913 22.1913 23.9223 23.9223 k = 0.3095 0.1787-0.0000 ( 1382 PWs) bands (ev): -57.0415 -57.0415 -28.4968 -28.4968 -18.9825 -18.9825 -18.6188 -18.6188 -2.1721 -2.1721 4.8025 4.8025 7.4829 7.4829 9.4485 9.4485 12.2980 12.2980 14.0863 14.0863 14.7554 14.7554 15.1940 15.1940 19.7376 19.7376 20.1206 20.1206 22.2293 22.2293 23.9877 23.9877 k = 0.3175 0.1833-0.0000 ( 1380 PWs) bands (ev): -57.0402 -57.0402 -28.5008 -28.5008 -18.9976 -18.9976 -18.6191 -18.6191 -2.1395 -2.1395 4.7790 4.7790 7.4958 7.4958 9.4107 9.4107 12.3193 12.3193 14.0520 14.0520 14.7288 14.7288 15.1865 15.1865 19.7867 19.7867 20.1665 20.1665 22.2679 22.2679 24.0514 24.0514 k = 0.3254 0.1879-0.0000 ( 1380 PWs) bands (ev): -57.0389 -57.0389 -28.5047 -28.5047 -19.0124 -19.0124 -18.6193 -18.6193 -2.1076 -2.1076 4.7561 4.7561 7.5061 7.5061 9.3755 9.3755 12.3396 12.3396 14.0188 14.0188 14.7026 14.7026 15.1819 15.1819 19.8357 19.8357 20.2135 20.2135 22.3069 22.3069 24.1133 24.1133 k = 0.3333 0.1925-0.0000 ( 1380 PWs) bands (ev): -57.0377 -57.0377 -28.5085 -28.5085 -19.0267 -19.0267 -18.6194 -18.6194 -2.0763 -2.0763 4.7338 4.7338 7.5138 7.5138 9.3431 9.3431 12.3591 12.3591 13.9868 13.9868 14.6771 14.6771 15.1799 15.1799 19.8843 19.8843 20.2617 20.2617 22.3462 22.3462 24.1733 24.1733 k = 0.3413 0.1970-0.0000 ( 1376 PWs) bands (ev): -57.0364 -57.0364 -28.5122 -28.5122 -19.0406 -19.0406 -18.6195 -18.6195 -2.0459 -2.0459 4.7122 4.7122 7.5191 7.5191 9.3132 9.3132 12.3777 12.3777 13.9560 13.9560 14.6522 14.6522 15.1806 15.1806 19.9323 19.9323 20.3110 20.3110 22.3855 22.3855 24.2313 24.2313 k = 0.3492 0.2016-0.0000 ( 1380 PWs) bands (ev): -57.0353 -57.0353 -28.5158 -28.5158 -19.0541 -19.0541 -18.6196 -18.6196 -2.0163 -2.0163 4.6914 4.6914 7.5221 7.5221 9.2857 9.2857 12.3952 12.3952 13.9266 13.9266 14.6279 14.6279 15.1837 15.1837 19.9795 19.9795 20.3614 20.3614 22.4247 22.4247 24.2872 24.2872 k = 0.3571 0.2062-0.0000 ( 1374 PWs) bands (ev): -57.0341 -57.0341 -28.5192 -28.5192 -19.0670 -19.0670 -18.6196 -18.6196 -1.9876 -1.9876 4.6714 4.6714 7.5231 7.5231 9.2606 9.2606 12.4119 12.4119 13.8984 13.8984 14.6045 14.6045 15.1890 15.1890 20.0257 20.0257 20.4125 20.4125 22.4636 22.4636 24.3408 24.3408 k = 0.3651 0.2108-0.0000 ( 1374 PWs) bands (ev): -57.0330 -57.0330 -28.5226 -28.5226 -19.0795 -19.0795 -18.6196 -18.6196 -1.9600 -1.9600 4.6522 4.6522 7.5222 7.5222 9.2377 9.2377 12.4276 12.4276 13.8716 13.8716 14.5819 14.5819 15.1964 15.1964 20.0707 20.0707 20.4644 20.4644 22.5019 22.5019 24.3922 24.3922 k = 0.3730 0.2154-0.0000 ( 1372 PWs) bands (ev): -57.0320 -57.0320 -28.5257 -28.5257 -19.0914 -19.0914 -18.6196 -18.6196 -1.9335 -1.9335 4.6340 4.6340 7.5197 7.5197 9.2168 9.2168 12.4423 12.4423 13.8461 13.8461 14.5601 14.5601 15.2055 15.2055 20.1145 20.1145 20.5165 20.5165 22.5395 22.5395 24.4411 24.4411 k = 0.3810 0.2199-0.0000 ( 1372 PWs) bands (ev): -57.0310 -57.0310 -28.5288 -28.5288 -19.1027 -19.1027 -18.6196 -18.6196 -1.9081 -1.9081 4.6166 4.6166 7.5159 7.5159 9.1979 9.1979 12.4561 12.4561 13.8221 13.8221 14.5393 14.5393 15.2161 15.2161 20.1569 20.1569 20.5686 20.5686 22.5762 22.5762 24.4875 24.4875 k = 0.3889 0.2245-0.0000 ( 1376 PWs) bands (ev): -57.0301 -57.0301 -28.5317 -28.5317 -19.1134 -19.1134 -18.6195 -18.6195 -1.8840 -1.8840 4.6002 4.6002 7.5109 7.5109 9.1808 9.1808 12.4690 12.4690 13.7994 13.7994 14.5195 14.5195 15.2280 15.2280 20.1979 20.1979 20.6203 20.6203 22.6118 22.6118 24.5313 24.5313 k = 0.3968 0.2291-0.0000 ( 1372 PWs) bands (ev): -57.0292 -57.0292 -28.5344 -28.5344 -19.1235 -19.1235 -18.6195 -18.6195 -1.8613 -1.8613 4.5847 4.5847 7.5051 7.5051 9.1653 9.1653 12.4808 12.4808 13.7783 13.7783 14.5009 14.5009 15.2407 15.2407 20.2373 20.2373 20.6711 20.6711 22.6460 22.6460 24.5724 24.5724 k = 0.4048 0.2337-0.0000 ( 1364 PWs) bands (ev): -57.0283 -57.0283 -28.5369 -28.5369 -19.1328 -19.1328 -18.6194 -18.6194 -1.8399 -1.8399 4.5703 4.5703 7.4986 7.4986 9.1513 9.1513 12.4918 12.4918 13.7586 13.7586 14.4833 14.4833 15.2541 15.2541 20.2749 20.2749 20.7207 20.7207 22.6787 22.6787 24.6108 24.6108 k = 0.4127 0.2383-0.0000 ( 1364 PWs) bands (ev): -57.0275 -57.0275 -28.5393 -28.5393 -19.1416 -19.1416 -18.6193 -18.6193 -1.8200 -1.8200 4.5570 4.5570 7.4918 7.4918 9.1388 9.1388 12.5018 12.5018 13.7404 13.7404 14.4670 14.4670 15.2678 15.2678 20.3107 20.3107 20.7685 20.7685 22.7096 22.7096 24.6464 24.6464 k = 0.4206 0.2429-0.0000 ( 1364 PWs) bands (ev): -57.0268 -57.0268 -28.5415 -28.5415 -19.1496 -19.1496 -18.6192 -18.6192 -1.8016 -1.8016 4.5447 4.5447 7.4848 7.4848 9.1276 9.1276 12.5109 12.5109 13.7237 13.7237 14.4518 14.4518 15.2815 15.2815 20.3444 20.3444 20.8140 20.8140 22.7386 22.7386 24.6791 24.6791 k = 0.4286 0.2474-0.0000 ( 1366 PWs) bands (ev): -57.0262 -57.0262 -28.5435 -28.5435 -19.1570 -19.1570 -18.6192 -18.6192 -1.7847 -1.7847 4.5335 4.5335 7.4778 7.4778 9.1177 9.1177 12.5191 12.5191 13.7086 13.7086 14.4380 14.4380 15.2949 15.2949 20.3759 20.3759 20.8569 20.8569 22.7656 22.7656 24.7089 24.7089 k = 0.4365 0.2520-0.0000 ( 1368 PWs) bands (ev): -57.0256 -57.0256 -28.5453 -28.5453 -19.1636 -19.1636 -18.6191 -18.6191 -1.7695 -1.7695 4.5234 4.5234 7.4710 7.4710 9.1090 9.1090 12.5264 12.5264 13.6950 13.6950 14.4255 14.4255 15.3077 15.3077 20.4049 20.4049 20.8967 20.8967 22.7902 22.7902 24.7357 24.7357 k = 0.4444 0.2566-0.0000 ( 1368 PWs) bands (ev): -57.0251 -57.0251 -28.5469 -28.5469 -19.1694 -19.1694 -18.6190 -18.6190 -1.7560 -1.7560 4.5145 4.5145 7.4647 7.4647 9.1014 9.1014 12.5328 12.5328 13.6829 13.6829 14.4143 14.4143 15.3197 15.3197 20.4313 20.4313 20.9329 20.9329 22.8124 22.8124 24.7595 24.7595 k = 0.4524 0.2612-0.0000 ( 1368 PWs) bands (ev): -57.0246 -57.0246 -28.5483 -28.5483 -19.1745 -19.1745 -18.6189 -18.6189 -1.7442 -1.7442 4.5067 4.5067 7.4589 7.4589 9.0948 9.0948 12.5383 12.5383 13.6725 13.6725 14.4046 14.4046 15.3306 15.3306 20.4548 20.4548 20.9651 20.9651 22.8320 22.8320 24.7802 24.7802 k = 0.4603 0.2658-0.0000 ( 1368 PWs) bands (ev): -57.0242 -57.0242 -28.5495 -28.5495 -19.1789 -19.1789 -18.6189 -18.6189 -1.7341 -1.7341 4.5001 4.5001 7.4538 7.4538 9.0894 9.0894 12.5430 12.5430 13.6636 13.6636 14.3963 14.3963 15.3402 15.3402 20.4751 20.4751 20.9931 20.9931 22.8489 22.8489 24.7977 24.7977 k = 0.4683 0.2703-0.0000 ( 1368 PWs) bands (ev): -57.0239 -57.0239 -28.5505 -28.5505 -19.1824 -19.1824 -18.6188 -18.6188 -1.7258 -1.7258 4.4946 4.4946 7.4494 7.4494 9.0849 9.0849 12.5468 12.5468 13.6564 13.6564 14.3895 14.3895 15.3484 15.3484 20.4920 20.4920 21.0164 21.0164 22.8629 22.8629 24.8121 24.8121 k = 0.4762 0.2749-0.0000 ( 1372 PWs) bands (ev): -57.0237 -57.0237 -28.5512 -28.5512 -19.1852 -19.1852 -18.6188 -18.6188 -1.7193 -1.7193 4.4904 4.4904 7.4459 7.4459 9.0815 9.0815 12.5497 12.5497 13.6507 13.6507 14.3842 14.3842 15.3549 15.3549 20.5055 20.5055 21.0349 21.0349 22.8738 22.8738 24.8234 24.8234 k = 0.4841 0.2795-0.0000 ( 1370 PWs) bands (ev): -57.0235 -57.0235 -28.5518 -28.5518 -19.1872 -19.1872 -18.6188 -18.6188 -1.7147 -1.7147 4.4874 4.4874 7.4434 7.4434 9.0791 9.0791 12.5518 12.5518 13.6467 13.6467 14.3804 14.3804 15.3596 15.3596 20.5152 20.5152 21.0482 21.0482 22.8818 22.8818 24.8314 24.8314 k = 0.4921 0.2841-0.0000 ( 1370 PWs) bands (ev): -57.0234 -57.0234 -28.5521 -28.5521 -19.1884 -19.1884 -18.6187 -18.6187 -1.7119 -1.7119 4.4856 4.4856 7.4419 7.4419 9.0776 9.0776 12.5531 12.5531 13.6442 13.6442 14.3781 14.3781 15.3625 15.3625 20.5211 20.5211 21.0563 21.0563 22.8865 22.8865 24.8363 24.8363 k = 0.5000 0.2887-0.0000 ( 1366 PWs) bands (ev): -57.0234 -57.0234 -28.5522 -28.5522 -19.1888 -19.1888 -18.6187 -18.6187 -1.7110 -1.7110 4.4849 4.4849 7.4414 7.4414 9.0771 9.0771 12.5535 12.5535 13.6434 13.6434 14.3774 14.3774 15.3634 15.3634 20.5230 20.5230 21.0590 21.0590 22.8882 22.8882 24.8379 24.8379 k = 0.5000 0.2887-0.0000 ( 1366 PWs) bands (ev): -57.0234 -57.0234 -28.5522 -28.5522 -19.1888 -19.1888 -18.6187 -18.6187 -1.7110 -1.7110 4.4849 4.4849 7.4414 7.4414 9.0771 9.0771 12.5535 12.5535 13.6434 13.6434 14.3774 14.3774 15.3634 15.3634 20.5230 20.5230 21.0590 21.0590 22.8882 22.8882 24.8379 24.8379 k = 0.4954 0.2967-0.0000 ( 1370 PWs) bands (ev): -57.0234 -57.0234 -28.5529 -28.5515 -19.1912 -19.1863 -18.6192 -18.6188 -1.7146 -1.7067 4.4844 4.4856 7.4390 7.4469 9.0751 9.0795 12.5379 12.5620 13.6124 13.6436 14.3775 14.4090 15.3502 15.3793 20.4838 20.5578 21.0079 21.1142 22.8768 22.8957 24.8294 24.8494 k = 0.4907 0.3047-0.0000 ( 1370 PWs) bands (ev): -57.0233 -57.0233 -28.5537 -28.5509 -19.1935 -19.1836 -18.6202 -18.6193 -1.7176 -1.7019 4.4840 4.4865 7.4399 7.4556 9.0736 9.0823 12.5155 12.5633 13.5570 13.6131 14.4093 14.4659 15.3398 15.3977 20.4417 20.5850 20.9640 21.1718 22.8619 22.8994 24.8241 24.8639 k = 0.4861 0.3127-0.0000 ( 1370 PWs) bands (ev): -57.0233 -57.0233 -28.5546 -28.5504 -19.1957 -19.1808 -18.6216 -18.6202 -1.7199 -1.6964 4.4837 4.4874 7.4439 7.4676 9.0726 9.0855 12.4865 12.5575 13.4854 13.5586 14.4657 14.5399 15.3323 15.4185 20.3975 20.5997 20.9322 21.2308 22.8436 22.8992 24.8219 24.8811 k = 0.4815 0.3208-0.0000 ( 1372 PWs) bands (ev): -57.0232 -57.0232 -28.5555 -28.5499 -19.1977 -19.1779 -18.6236 -18.6216 -1.7217 -1.6903 4.4835 4.4885 7.4510 7.4827 9.0721 9.0890 12.4512 12.5446 13.4040 13.4883 14.5386 14.6248 15.3277 15.4417 20.3519 20.5962 20.9182 21.2907 22.8220 22.8953 24.8229 24.9008 k = 0.4769 0.3288-0.0000 ( 1372 PWs) bands (ev): -57.0231 -57.0231 -28.5565 -28.5495 -19.1997 -19.1749 -18.6260 -18.6235 -1.7227 -1.6837 4.4835 4.4897 7.4611 7.5011 9.0722 9.0929 12.4098 12.5246 13.3168 13.4085 14.6216 14.7163 15.3261 15.4672 20.3049 20.5725 20.9242 21.3512 22.7975 22.8877 24.8270 24.9227 k = 0.4722 0.3368-0.0000 ( 1372 PWs) bands (ev): -57.0229 -57.0229 -28.5575 -28.5492 -19.2016 -19.1717 -18.6289 -18.6257 -1.7232 -1.6766 4.4836 4.4910 7.4741 7.5225 9.0729 9.0971 12.3629 12.4978 13.2265 13.3232 14.7102 14.8115 15.3276 15.4951 20.2568 20.5324 20.9460 21.4120 22.7703 22.8767 24.8341 24.9466 k = 0.4676 0.3448-0.0000 ( 1376 PWs) bands (ev): -57.0228 -57.0228 -28.5585 -28.5489 -19.2033 -19.1685 -18.6323 -18.6284 -1.7230 -1.6689 4.4838 4.4924 7.4898 7.5469 9.0742 9.1016 12.3106 12.4643 13.1348 13.2351 14.8016 14.9087 15.3325 15.5254 20.2075 20.4817 20.9780 21.4729 22.7408 22.8625 24.8439 24.9723 k = 0.4630 0.3528-0.0000 ( 1376 PWs) bands (ev): -57.0226 -57.0226 -28.5596 -28.5487 -19.2050 -19.1651 -18.6361 -18.6314 -1.7223 -1.6608 4.4841 4.4938 7.5083 7.5743 9.0762 9.1065 12.2535 12.4246 13.0429 13.1457 14.8939 15.0062 15.3410 15.5582 20.1570 20.4243 21.0162 21.5338 22.7092 22.8453 24.8563 24.9994 k = 0.4583 0.3608-0.0000 ( 1376 PWs) bands (ev): -57.0224 -57.0224 -28.5608 -28.5485 -19.2066 -19.1616 -18.6404 -18.6347 -1.7210 -1.6522 4.4844 4.4954 7.5292 7.6045 9.0791 9.1116 12.1920 12.3790 12.9514 13.0562 14.9856 15.1022 15.3540 15.5939 20.1055 20.3626 21.0581 21.5946 22.6759 22.8255 24.8710 25.0278 k = 0.4537 0.3689-0.0000 ( 1378 PWs) bands (ev): -57.0222 -57.0222 -28.5620 -28.5484 -19.2081 -19.1581 -18.6451 -18.6383 -1.7191 -1.6432 4.4849 4.4970 7.5524 7.6374 9.0827 9.1171 12.1264 12.3279 12.8611 12.9674 15.0753 15.1936 15.3739 15.6327 20.0527 20.2979 21.1023 21.6551 22.6412 22.8035 24.8877 25.0570 k = 0.4491 0.3769-0.0000 ( 1378 PWs) bands (ev): -57.0220 -57.0220 -28.5632 -28.5484 -19.2096 -19.1544 -18.6501 -18.6422 -1.7167 -1.6339 4.4854 4.4987 7.5778 7.6729 9.0874 9.1230 12.0572 12.2718 12.7723 12.8797 15.1620 15.2732 15.4072 15.6751 19.9987 20.2309 21.1480 21.7153 22.6054 22.7796 24.9062 25.0870 k = 0.4444 0.3849-0.0000 ( 1382 PWs) bands (ev): -57.0218 -57.0218 -28.5644 -28.5485 -19.2110 -19.1507 -18.6555 -18.6463 -1.7137 -1.6242 4.4860 4.5003 7.6051 7.7108 9.0930 9.1292 11.9847 12.2111 12.6854 12.7936 15.2446 15.3301 15.4643 15.7214 19.9436 20.1621 21.1947 21.7749 22.5688 22.7541 24.9262 25.1175 k = 0.4398 0.3929-0.0000 ( 1378 PWs) bands (ev): -57.0215 -57.0215 -28.5656 -28.5485 -19.2124 -19.1469 -18.6611 -18.6505 -1.7104 -1.6143 4.4865 4.5020 7.6340 7.7508 9.0998 9.1359 11.9093 12.1463 12.6006 12.7096 15.3224 15.3666 15.5423 15.7721 19.8873 20.0918 21.2420 21.8339 22.5317 22.7275 24.9474 25.1482 k = 0.4352 0.4009-0.0000 ( 1374 PWs) bands (ev): -57.0212 -57.0212 -28.5669 -28.5486 -19.2137 -19.1431 -18.6671 -18.6549 -1.7065 -1.6041 4.4871 4.5037 7.6644 7.7929 9.1079 9.1430 11.8315 12.0779 12.5183 12.6277 15.3948 15.3949 15.6286 15.8273 19.8300 20.0202 21.2895 21.8922 22.4945 22.7001 24.9696 25.1790 k = 0.4306 0.4090-0.0000 ( 1378 PWs) bands (ev): -57.0210 -57.0210 -28.5682 -28.5488 -19.2151 -19.1393 -18.6733 -18.6594 -1.7023 -1.5938 4.4877 4.5053 7.6958 7.8366 9.1173 9.1507 11.7515 12.0063 12.4386 12.5484 15.4212 15.4618 15.7165 15.8866 19.7715 19.9476 21.3371 21.9496 22.4573 22.6723 24.9925 25.2097 k = 0.4259 0.4170-0.0000 ( 1378 PWs) bands (ev): -57.0207 -57.0207 -28.5695 -28.5490 -19.2164 -19.1354 -18.6797 -18.6640 -1.6978 -1.5833 4.4883 4.5069 7.7281 7.8819 9.1282 9.1591 11.6698 11.9321 12.3617 12.4717 15.4475 15.5237 15.8036 15.9496 19.7122 19.8741 21.3844 22.0058 22.4204 22.6444 25.0158 25.2401 k = 0.4213 0.4250-0.0000 ( 1380 PWs) bands (ev): -57.0204 -57.0204 -28.5708 -28.5493 -19.2177 -19.1316 -18.6862 -18.6686 -1.6929 -1.5728 4.4889 4.5084 7.7608 7.9282 9.1407 9.1682 11.5866 11.8558 12.2878 12.3980 15.4747 15.5811 15.8886 16.0151 19.6520 19.7999 21.4314 22.0608 22.3842 22.6168 25.0394 25.2701 k = 0.4167 0.4330-0.0000 ( 1376 PWs) bands (ev): -57.0201 -57.0201 -28.5720 -28.5496 -19.2190 -19.1278 -18.6929 -18.6731 -1.6878 -1.5622 4.4894 4.5099 7.7937 7.9754 9.1550 9.1782 11.5024 11.7780 12.2168 12.3273 15.5030 15.6349 15.9710 16.0821 19.5912 19.7253 21.4777 22.1144 22.3489 22.5898 25.0631 25.2995 k = 0.4120 0.4410-0.0000 ( 1376 PWs) bands (ev): -57.0198 -57.0198 -28.5733 -28.5499 -19.2203 -19.1240 -18.6995 -18.6776 -1.6825 -1.5517 4.4898 4.5113 7.8264 8.0230 9.1712 9.1893 11.4175 11.6989 12.1491 12.2598 15.5325 15.6859 16.0501 16.1494 19.5300 19.6504 21.5232 22.1662 22.3146 22.5638 25.0866 25.3282 k = 0.4074 0.4491-0.0000 ( 1380 PWs) bands (ev): -57.0195 -57.0195 -28.5746 -28.5503 -19.2216 -19.1203 -18.7062 -18.6821 -1.6770 -1.5413 4.4902 4.5125 7.8586 8.0706 9.1894 9.2016 11.3322 11.6191 12.0847 12.1957 15.5631 15.7349 16.1257 16.2160 19.4686 19.5755 21.5676 22.2160 22.2817 22.5392 25.1098 25.3560 k = 0.4028 0.4571-0.0000 ( 1382 PWs) bands (ev): -57.0192 -57.0192 -28.5758 -28.5507 -19.2230 -19.1168 -18.7129 -18.6864 -1.6713 -1.5311 4.4905 4.5136 7.8898 8.1178 9.2097 9.2155 11.2469 11.5390 12.0237 12.1350 15.5947 15.7824 16.1974 16.2811 19.4073 19.5010 21.6109 22.2502 22.2632 22.5165 25.1325 25.3829 k = 0.3981 0.4651-0.0000 ( 1382 PWs) bands (ev): -57.0188 -57.0188 -28.5770 -28.5511 -19.2243 -19.1133 -18.7194 -18.6905 -1.6657 -1.5211 4.4907 4.5146 7.9199 8.1640 9.2311 9.2321 11.1618 11.4591 11.9663 12.0779 15.6272 15.8289 16.2651 16.3438 19.3464 19.4270 21.6527 22.2205 22.3070 22.4967 25.1546 25.4087 k = 0.3935 0.4731-0.0000 ( 1382 PWs) bands (ev): -57.0186 -57.0186 -28.5782 -28.5516 -19.2256 -19.1100 -18.7257 -18.6945 -1.6600 -1.5113 4.4908 4.5155 7.9485 8.2088 9.2487 9.2566 11.0774 11.3800 11.9124 12.0244 15.6603 15.8744 16.3284 16.4036 19.2862 19.3541 21.6929 22.1926 22.3453 22.4818 25.1759 25.4333 k = 0.3889 0.4811-0.0000 ( 1382 PWs) bands (ev): -57.0183 -57.0183 -28.5793 -28.5520 -19.2270 -19.1069 -18.7318 -18.6982 -1.6544 -1.5019 4.4909 4.5162 7.9753 8.2517 9.2685 9.2831 10.9940 11.3020 11.8624 11.9747 15.6938 15.9192 16.3873 16.4600 19.2273 19.2827 21.7314 22.1666 22.3735 22.4765 25.1963 25.4566 k = 0.3843 0.4891-0.0000 ( 1386 PWs) bands (ev): -57.0180 -57.0180 -28.5804 -28.5524 -19.2283 -19.1040 -18.7376 -18.7017 -1.6489 -1.4929 4.4908 4.5168 8.0000 8.2920 9.2907 9.3115 10.9121 11.2257 11.8161 11.9288 15.7274 15.9632 16.4415 16.5126 19.1699 19.2131 21.7679 22.1428 22.3851 22.4870 25.2156 25.4785 k = 0.3796 0.4972-0.0000 ( 1386 PWs) bands (ev): -57.0177 -57.0177 -28.5814 -28.5529 -19.2297 -19.1013 -18.7431 -18.7049 -1.6435 -1.4844 4.4907 4.5173 8.0226 8.3294 9.3153 9.3415 10.8321 11.1517 11.7736 11.8868 15.7607 16.0061 16.4909 16.5611 19.1147 19.1460 21.8022 22.1210 22.3827 22.5109 25.2337 25.4990 k = 0.3750 0.5052-0.0000 ( 1378 PWs) bands (ev): -57.0175 -57.0175 -28.5823 -28.5532 -19.2309 -19.0988 -18.7482 -18.7078 -1.6384 -1.4764 4.4904 4.5176 8.0429 8.3635 9.3425 9.3726 10.7544 11.0806 11.7352 11.8487 15.7933 16.0476 16.5355 16.6054 19.0621 19.0819 21.8342 22.1015 22.3745 22.5396 25.2506 25.5179 k = 0.3704 0.5132-0.0000 ( 1382 PWs) bands (ev): -57.0172 -57.0172 -28.5832 -28.5537 -19.2322 -19.0966 -18.7528 -18.7105 -1.6336 -1.4690 4.4902 4.5178 8.0609 8.3938 9.3719 9.4044 10.6797 11.0130 11.7007 11.8145 15.8247 16.0874 16.5752 16.6452 19.0126 19.0215 21.8638 22.0841 22.3651 22.5684 25.2661 25.5351 k = 0.3657 0.5212-0.0000 ( 1384 PWs) bands (ev): -57.0170 -57.0170 -28.5840 -28.5541 -19.2334 -19.0947 -18.7570 -18.7128 -1.6292 -1.4623 4.4898 4.5178 8.0764 8.4203 9.4031 9.4361 10.6086 10.9498 11.6702 11.7844 15.8544 16.1250 16.6100 16.6803 18.9655 18.9670 21.8907 22.0689 22.3562 22.5955 25.2802 25.5506 k = 0.3611 0.5292-0.0000 ( 1388 PWs) bands (ev): -57.0168 -57.0168 -28.5847 -28.5544 -19.2346 -19.0932 -18.7607 -18.7149 -1.6251 -1.4563 4.4894 4.5178 8.0895 8.4427 9.4354 9.4669 10.5421 10.8919 11.6438 11.7583 15.8819 16.1596 16.6398 16.7108 18.9146 18.9257 21.9149 22.0557 22.3484 22.6201 25.2926 25.5643 k = 0.3565 0.5373-0.0000 ( 1394 PWs) bands (ev): -57.0167 -57.0167 -28.5854 -28.5548 -19.2356 -19.0919 -18.7639 -18.7166 -1.6215 -1.4510 4.4890 4.5177 8.1003 8.4611 9.4678 9.4958 10.4813 10.8402 11.6214 11.7362 15.9066 16.1906 16.6648 16.7365 18.8697 18.8894 21.9363 22.0444 22.3419 22.6415 25.3033 25.5760 k = 0.3519 0.5453-0.0000 ( 1390 PWs) bands (ev): -57.0165 -57.0165 -28.5859 -28.5550 -19.2365 -19.0908 -18.7664 -18.7180 -1.6185 -1.4466 4.4886 4.5176 8.1089 8.4757 9.4987 9.5218 10.4275 10.7959 11.6032 11.7181 15.9279 16.2174 16.6849 16.7575 18.8315 18.8588 21.9549 22.0348 22.3369 22.6596 25.3123 25.5859 k = 0.3472 0.5533-0.0000 ( 1386 PWs) bands (ev): -57.0164 -57.0164 -28.5863 -28.5552 -19.2372 -19.0900 -18.7684 -18.7190 -1.6160 -1.4430 4.4883 4.5174 8.1153 8.4866 9.5262 9.5435 10.3826 10.7600 11.5890 11.7041 15.9453 16.2392 16.7003 16.7738 18.8009 18.8343 21.9706 22.0265 22.3332 22.6741 25.3194 25.5936 k = 0.3426 0.5613-0.0000 ( 1386 PWs) bands (ev): -57.0163 -57.0163 -28.5866 -28.5554 -19.2378 -19.0895 -18.7698 -18.7198 -1.6141 -1.4405 4.4879 4.5172 8.1198 8.4941 9.5483 9.5600 10.3484 10.7335 11.5789 11.6942 15.9582 16.2553 16.7112 16.7853 18.7784 18.8163 21.9837 22.0192 22.3307 22.6846 25.3246 25.5992 k = 0.3380 0.5693-0.0000 ( 1388 PWs) bands (ev): -57.0163 -57.0163 -28.5868 -28.5555 -19.2381 -19.0893 -18.7707 -18.7202 -1.6130 -1.4389 4.4877 4.5171 8.1223 8.4983 9.5627 9.5702 10.3269 10.7174 11.5729 11.6882 15.9661 16.2653 16.7175 16.7922 18.7647 18.8054 21.9940 22.0125 22.3294 22.6910 25.3278 25.6026 k = 0.3333 0.5774-0.0000 ( 1392 PWs) bands (ev): -57.0163 -57.0163 -28.5869 -28.5556 -19.2383 -19.0892 -18.7710 -18.7204 -1.6126 -1.4383 4.4877 4.5171 8.1232 8.4997 9.5676 9.5737 10.3196 10.7119 11.5709 11.6862 15.9689 16.2687 16.7196 16.7944 18.7600 18.8018 21.9998 22.0080 22.3290 22.6932 25.3288 25.6038 k = 0.3333 0.5774-0.0000 ( 1392 PWs) bands (ev): -57.0163 -57.0163 -28.5869 -28.5556 -19.2383 -19.0892 -18.7710 -18.7204 -1.6126 -1.4383 4.4877 4.5171 8.1232 8.4997 9.5676 9.5737 10.3196 10.7119 11.5709 11.6862 15.9689 16.2687 16.7196 16.7944 18.7600 18.8018 21.9998 22.0080 22.3290 22.6932 25.3288 25.6038 k = 0.3287 0.5693-0.0000 ( 1388 PWs) bands (ev): -57.0163 -57.0163 -28.5868 -28.5555 -19.2381 -19.0893 -18.7707 -18.7202 -1.6130 -1.4389 4.4877 4.5171 8.1224 8.4984 9.5627 9.5703 10.3268 10.7173 11.5729 11.6882 15.9661 16.2653 16.7176 16.7922 18.7647 18.8054 21.9941 22.0122 22.3293 22.6910 25.3277 25.6026 k = 0.3241 0.5613-0.0000 ( 1382 PWs) bands (ev): -57.0163 -57.0163 -28.5865 -28.5554 -19.2377 -19.0894 -18.7699 -18.7198 -1.6143 -1.4406 4.4881 4.5174 8.1201 8.4948 9.5485 9.5604 10.3476 10.7328 11.5788 11.6941 15.9578 16.2550 16.7117 16.7857 18.7784 18.8164 21.9839 22.0181 22.3302 22.6842 25.3244 25.5991 k = 0.3194 0.5533-0.0000 ( 1382 PWs) bands (ev): -57.0164 -57.0164 -28.5862 -28.5552 -19.2369 -19.0896 -18.7686 -18.7191 -1.6164 -1.4435 4.4886 4.5178 8.1165 8.4889 9.5266 9.5448 10.3801 10.7577 11.5887 11.7038 15.9439 16.2380 16.7021 16.7751 18.8009 18.8344 21.9707 22.0236 22.3313 22.6727 25.3188 25.5931 k = 0.3148 0.5453-0.0000 ( 1382 PWs) bands (ev): -57.0165 -57.0165 -28.5857 -28.5549 -19.2358 -19.0899 -18.7669 -18.7182 -1.6195 -1.4476 4.4895 4.5184 8.1115 8.4812 9.4993 9.5245 10.4219 10.7906 11.6024 11.7173 15.9248 16.2147 16.6890 16.7607 18.8314 18.8590 21.9543 22.0287 22.3323 22.6565 25.3108 25.5845 k = 0.3102 0.5373-0.0000 ( 1386 PWs) bands (ev): -57.0167 -57.0167 -28.5851 -28.5545 -19.2344 -19.0901 -18.7647 -18.7171 -1.6236 -1.4529 4.4907 4.5194 8.1055 8.4716 9.4684 9.5007 10.4710 10.8305 11.6198 11.7346 15.9006 16.1855 16.6727 16.7427 18.8692 18.8898 21.9343 22.0336 22.3330 22.6356 25.3004 25.5735 k = 0.3056 0.5292-0.0000 ( 1378 PWs) bands (ev): -57.0169 -57.0169 -28.5843 -28.5539 -19.2325 -19.0902 -18.7622 -18.7157 -1.6287 -1.4596 4.4922 4.5207 8.0983 8.4605 9.4357 9.4744 10.5255 10.8760 11.6411 11.7556 15.8719 16.1510 16.6535 16.7216 18.9133 18.9260 21.9104 22.0382 22.3328 22.6100 25.2876 25.5599 k = 0.3009 0.5212-0.0000 ( 1374 PWs) bands (ev): -57.0172 -57.0172 -28.5833 -28.5533 -19.2301 -19.0901 -18.7593 -18.7141 -1.6349 -1.4676 4.4942 4.5224 8.0902 8.4479 9.4023 9.4468 10.5840 10.9260 11.6659 11.7801 15.8391 16.1119 16.6315 16.6975 18.9627 18.9670 21.8825 22.0426 22.3313 22.5802 25.2723 25.5436 k = 0.2963 0.5132-0.0000 ( 1382 PWs) bands (ev): -57.0175 -57.0175 -28.5823 -28.5526 -19.2274 -19.0899 -18.7562 -18.7124 -1.6421 -1.4769 4.4967 4.5245 8.0812 8.4340 9.3694 9.4185 10.6453 10.9795 11.6943 11.8082 15.8026 16.0688 16.6069 16.6707 19.0119 19.0162 21.8504 22.0465 22.3274 22.5467 25.2544 25.5247 k = 0.2917 0.5052-0.0000 ( 1384 PWs) bands (ev): -57.0179 -57.0179 -28.5811 -28.5518 -19.2242 -19.0894 -18.7528 -18.7106 -1.6505 -1.4875 4.4998 4.5272 8.0713 8.4187 9.3375 9.3904 10.7085 11.0357 11.7262 11.8397 15.7632 16.0225 16.5801 16.6416 19.0599 19.0726 21.8142 22.0499 22.3198 22.5108 25.2340 25.5031 k = 0.2870 0.4972-0.0000 ( 1385 PWs) bands (ev): -57.0183 -57.0183 -28.5796 -28.5508 -19.2205 -19.0887 -18.7491 -18.7086 -1.6600 -1.4996 4.5033 4.5303 8.0606 8.4024 9.3074 9.3630 10.7729 11.0938 11.7615 11.8746 15.7214 15.9736 16.5512 16.6105 19.1102 19.1310 21.7738 22.0527 22.3058 22.4751 25.2110 25.4788 k = 0.2824 0.4891-0.0000 ( 1385 PWs) bands (ev): -57.0188 -57.0188 -28.5781 -28.5497 -19.2163 -19.0876 -18.7453 -18.7064 -1.6707 -1.5130 4.5075 4.5340 8.0492 8.3849 9.2793 9.3369 10.8380 11.1532 11.8000 11.9127 15.6776 15.9228 16.5204 16.5777 19.1620 19.1902 21.7295 22.0548 22.2817 22.4430 25.1854 25.4518 k = 0.2778 0.4811-0.0000 ( 1385 PWs) bands (ev): -57.0193 -57.0193 -28.5763 -28.5485 -19.2115 -19.0861 -18.7413 -18.7042 -1.6826 -1.5278 4.5124 4.5384 8.0372 8.3664 9.2537 9.3123 10.9033 11.2134 11.8418 11.9540 15.6326 15.8706 16.4880 16.5432 19.2145 19.2493 21.6812 22.0560 22.2442 22.4180 25.1572 25.4222 k = 0.2731 0.4731-0.0000 ( 1385 PWs) bands (ev): -57.0199 -57.0199 -28.5744 -28.5472 -19.2063 -19.0843 -18.7372 -18.7018 -1.6956 -1.5440 4.5179 4.5434 8.0244 8.3469 9.2307 9.2897 10.9685 11.2738 11.8866 11.9984 15.5867 15.8177 16.4542 16.5074 19.2669 19.3073 21.6292 22.0562 22.1934 22.4000 25.1264 25.3899 k = 0.2685 0.4651-0.0000 ( 1389 PWs) bands (ev): -57.0205 -57.0205 -28.5724 -28.5457 -19.2004 -19.0820 -18.7329 -18.6994 -1.7098 -1.5615 4.5242 4.5490 8.0111 8.3264 9.2106 9.2692 11.0331 11.3341 11.9345 12.0457 15.5404 15.7645 16.4192 16.4706 19.3186 19.3633 21.5736 22.0554 22.1316 22.3867 25.0930 25.3549 k = 0.2639 0.4571-0.0000 ( 1387 PWs) bands (ev): -57.0211 -57.0211 -28.5701 -28.5441 -19.1941 -19.0792 -18.7286 -18.6969 -1.7253 -1.5805 4.5312 4.5555 7.9971 8.3049 9.1935 9.2511 11.0969 11.3939 11.9852 12.0959 15.4944 15.7115 16.3831 16.4328 19.3690 19.4166 21.5148 22.0534 22.0615 22.3757 25.0570 25.3172 k = 0.2593 0.4491-0.0000 ( 1387 PWs) bands (ev): -57.0218 -57.0218 -28.5677 -28.5423 -19.1871 -19.0760 -18.7242 -18.6943 -1.7419 -1.6007 4.5390 4.5627 7.9825 8.2825 9.1796 9.2355 11.1597 11.4529 12.0387 12.1489 15.4488 15.6592 16.3461 16.3943 19.4174 19.4665 21.4530 21.9847 22.0502 22.3657 25.0185 25.2770 k = 0.2546 0.4410-0.0000 ( 1387 PWs) bands (ev): -57.0226 -57.0226 -28.5652 -28.5404 -19.1796 -19.0723 -18.7198 -18.6918 -1.7597 -1.6223 4.5476 4.5706 7.9673 8.2591 9.1688 9.2226 11.2212 11.5107 12.0948 12.2045 15.4043 15.6078 16.3085 16.3553 19.4634 19.5124 21.3886 21.9024 22.0457 22.3556 24.9775 25.2343 k = 0.2500 0.4330-0.0000 ( 1387 PWs) bands (ev): -57.0234 -57.0234 -28.5624 -28.5384 -19.1714 -19.0680 -18.7154 -18.6892 -1.7786 -1.6452 4.5571 4.5795 7.9515 8.2348 9.1614 9.2124 11.2811 11.5672 12.1536 12.2626 15.3611 15.5579 16.2704 16.3159 19.5066 19.5537 21.3219 21.8155 22.0400 22.3452 24.9340 25.1890 k = 0.2454 0.4250-0.0000 ( 1387 PWs) bands (ev): -57.0243 -57.0242 -28.5595 -28.5362 -19.1627 -19.0632 -18.7110 -18.6865 -1.7988 -1.6694 4.5674 4.5891 7.9350 8.2095 9.1572 9.2050 11.3393 11.6219 12.2147 12.3232 15.3196 15.5097 16.2320 16.2764 19.5466 19.5899 21.2535 21.7246 22.0330 22.3340 24.8881 25.1414 k = 0.2407 0.4170-0.0000 ( 1387 PWs) bands (ev): -57.0252 -57.0252 -28.5565 -28.5339 -19.1535 -19.0579 -18.7066 -18.6839 -1.8200 -1.6948 4.5786 4.5996 7.9178 8.1832 9.1564 9.2006 11.3956 11.6747 12.2782 12.3860 15.2801 15.4635 16.1933 16.2368 19.5831 19.6206 21.1838 21.6305 22.0248 22.3219 24.8398 25.0913 k = 0.2361 0.4090-0.0000 ( 1389 PWs) bands (ev): -57.0261 -57.0261 -28.5533 -28.5315 -19.1436 -19.0520 -18.7023 -18.6813 -1.8424 -1.7213 4.5907 4.6110 7.8999 8.1559 9.1590 9.1991 11.4498 11.7254 12.3439 12.4511 15.2430 15.4195 16.1546 16.1973 19.6158 19.6456 21.1132 21.5336 22.0153 22.3090 24.7892 25.0389 k = 0.2315 0.4009-0.0000 ( 1393 PWs) bands (ev): -57.0271 -57.0271 -28.5500 -28.5289 -19.1333 -19.0456 -18.6979 -18.6787 -1.8658 -1.7491 4.6037 4.6232 7.8813 8.1276 9.1650 9.2007 11.5016 11.7737 12.4117 12.5182 15.2084 15.3781 16.1160 16.1581 19.6448 19.6647 21.0422 21.4346 22.0046 22.2951 24.7364 24.9842 k = 0.2269 0.3929-0.0000 ( 1389 PWs) bands (ev): -57.0281 -57.0281 -28.5465 -28.5262 -19.1223 -19.0386 -18.6937 -18.6761 -1.8903 -1.7779 4.6176 4.6364 7.8618 8.0982 9.1743 9.2053 11.5510 11.8193 12.4814 12.5872 15.1767 15.3394 16.0776 16.1193 19.6698 19.6775 20.9715 21.3340 21.9927 22.2803 24.6814 24.9274 k = 0.2222 0.3849-0.0000 ( 1387 PWs) bands (ev): -57.0292 -57.0292 -28.5429 -28.5234 -19.1108 -19.0311 -18.6895 -18.6735 -1.9158 -1.8078 4.6324 4.6505 7.8414 8.0677 9.1871 9.2131 11.5978 11.8623 12.5530 12.6581 15.1482 15.3037 16.0395 16.0810 19.6842 19.6908 20.9013 21.2323 21.9798 22.2646 24.6242 24.8685 k = 0.2176 0.3769-0.0000 ( 1391 PWs) bands (ev): -57.0303 -57.0303 -28.5392 -28.5204 -19.0988 -19.0230 -18.6853 -18.6709 -1.9422 -1.8386 4.6481 4.6654 7.8200 8.0362 9.2031 9.2239 11.6418 11.9022 12.6263 12.7306 15.1229 15.2710 16.0018 16.0433 19.6847 19.7077 20.8323 21.1301 21.9660 22.2481 24.5650 24.8075 k = 0.2130 0.3689-0.0000 ( 1395 PWs) bands (ev): -57.0315 -57.0315 -28.5354 -28.5174 -19.0863 -19.0144 -18.6813 -18.6684 -1.9696 -1.8704 4.6647 4.6812 7.7977 8.0035 9.2225 9.2379 11.6829 11.9390 12.7012 12.8047 15.1011 15.2416 15.9647 16.0064 19.6790 19.7208 20.7648 21.0279 21.9512 22.2308 24.5038 24.7445 k = 0.2083 0.3608-0.0000 ( 1391 PWs) bands (ev): -57.0327 -57.0327 -28.5314 -28.5142 -19.0733 -19.0053 -18.6773 -18.6659 -1.9978 -1.9030 4.6822 4.6979 7.7742 7.9697 9.2452 9.2551 11.7209 11.9726 12.7776 12.8802 15.0829 15.2156 15.9283 15.9704 19.6675 19.7299 20.6991 20.9261 21.9357 22.2129 24.4407 24.6797 k = 0.2037 0.3528-0.0000 ( 1391 PWs) bands (ev): -57.0339 -57.0339 -28.5273 -28.5109 -19.0598 -18.9957 -18.6734 -18.6635 -2.0269 -1.9365 4.7005 4.7155 7.7497 7.9348 9.2710 9.2754 11.7558 12.0027 12.8553 12.9571 15.0685 15.1931 15.8926 15.9354 19.6504 19.7353 20.6355 20.8251 21.9195 22.1943 24.3758 24.6130 k = 0.1991 0.3448-0.0000 ( 1391 PWs) bands (ev): -57.0352 -57.0352 -28.5231 -28.5075 -19.0458 -18.9855 -18.6696 -18.6610 -2.0567 -1.9707 4.7197 4.7339 7.7239 7.8987 9.2989 9.3001 11.7875 12.0295 12.9342 13.0351 15.0580 15.1741 15.8578 15.9015 19.6282 19.7372 20.5742 20.7255 21.9028 22.1754 24.3092 24.5446 k = 0.1944 0.3368-0.0000 ( 1383 PWs) bands (ev): -57.0365 -57.0365 -28.5188 -28.5039 -19.0315 -18.9749 -18.6658 -18.6586 -2.0872 -2.0055 4.7397 4.7531 7.6970 7.8616 9.3256 9.3322 11.8159 12.0527 13.0142 13.1141 15.0514 15.1587 15.8239 15.8688 19.6013 19.7355 20.5152 20.6276 21.8857 22.1560 24.2410 24.4746 k = 0.1898 0.3288-0.0000 ( 1387 PWs) bands (ev): -57.0378 -57.0378 -28.5144 -28.5004 -19.0167 -18.9639 -18.6622 -18.6563 -2.1183 -2.0409 4.7604 4.7731 7.6687 7.8233 9.3553 9.3674 11.8409 12.0723 13.0950 13.1939 15.0488 15.1470 15.7910 15.8374 19.5704 19.7307 20.4583 20.5317 21.8683 22.1364 24.1712 24.4030 k = 0.1852 0.3208-0.0000 ( 1387 PWs) bands (ev): -57.0392 -57.0392 -28.5100 -28.4967 -19.0016 -18.9524 -18.6586 -18.6539 -2.1500 -2.0769 4.7819 4.7938 7.6392 7.7839 9.3881 9.4056 11.8626 12.0883 13.1767 13.2745 15.0503 15.1388 15.7592 15.8075 19.5361 19.7227 20.4035 20.4381 21.8507 22.1166 24.1000 24.3299 k = 0.1806 0.3127-0.0000 ( 1387 PWs) bands (ev): -57.0406 -57.0406 -28.5055 -28.4929 -18.9862 -18.9406 -18.6551 -18.6516 -2.1822 -2.1132 4.8042 4.8152 7.6084 7.7435 9.4240 9.4466 11.8808 12.1007 13.2589 13.3557 15.0558 15.1342 15.7286 15.7792 19.4992 19.7120 20.3470 20.3505 21.8332 22.0968 24.0274 24.2554 k = 0.1759 0.3047-0.0000 ( 1391 PWs) bands (ev): -57.0420 -57.0420 -28.5010 -28.4891 -18.9705 -18.9284 -18.6516 -18.6494 -2.2149 -2.1500 4.8270 4.8374 7.5764 7.7020 9.4629 9.4904 11.8957 12.1096 13.3416 13.4373 15.0652 15.1331 15.6991 15.7527 19.4604 19.6986 20.2588 20.2991 21.8158 22.0771 23.9536 24.1796 k = 0.1713 0.2967-0.0000 ( 1391 PWs) bands (ev): -57.0434 -57.0434 -28.4964 -28.4853 -18.9545 -18.9158 -18.6482 -18.6471 -2.2480 -2.1870 4.8505 4.8601 7.5430 7.6596 9.5047 9.5370 11.9073 12.1151 13.4246 13.5191 15.0786 15.1353 15.6709 15.7279 19.4204 19.6828 20.1735 20.2491 21.7986 22.0575 23.8787 24.1027 k = 0.1667 0.2887-0.0000 ( 1391 PWs) bands (ev): -57.0448 -57.0448 -28.4917 -28.4813 -18.9384 -18.9030 -18.6448 -18.6448 -2.2813 -2.2243 4.8746 4.8834 7.5085 7.6163 9.5494 9.5861 11.9156 12.1172 13.5078 13.6011 15.0958 15.1407 15.6441 15.7053 19.3797 19.6649 20.0914 20.2001 21.7818 22.0382 23.8028 24.0246 k = 0.1620 0.2807-0.0000 ( 1391 PWs) bands (ev): -57.0462 -57.0462 -28.4870 -28.4774 -18.9221 -18.8900 -18.6425 -18.6415 -2.3149 -2.2617 4.8991 4.9073 7.4728 7.5722 9.5968 9.6377 11.9209 12.1161 13.5910 13.6830 15.1167 15.1490 15.6187 15.6848 19.3390 19.6450 20.0124 20.1519 21.7655 22.0193 23.7260 23.9456 k = 0.1574 0.2726-0.0000 ( 1383 PWs) bands (ev): -57.0477 -57.0477 -28.4823 -28.4733 -18.9057 -18.8767 -18.6401 -18.6381 -2.3487 -2.2991 4.9242 4.9316 7.4360 7.5273 9.6469 9.6918 11.9231 12.1119 13.6740 13.7646 15.1411 15.1599 15.5947 15.6669 19.2988 19.6235 19.9366 20.1044 21.7498 22.0009 23.6485 23.8657 k = 0.1528 0.2646-0.0000 ( 1383 PWs) bands (ev): -57.0491 -57.0491 -28.4776 -28.4693 -18.8892 -18.8633 -18.6376 -18.6347 -2.3825 -2.3366 4.9496 4.9564 7.3981 7.4817 9.6996 9.7480 11.9224 12.1048 13.7568 13.8459 15.1690 15.1731 15.5722 15.6517 19.2595 19.6004 19.8641 20.0574 21.7349 21.9831 23.5703 23.7850 k = 0.1481 0.2566-0.0000 ( 1387 PWs) bands (ev): -57.0506 -57.0506 -28.4730 -28.4652 -18.8729 -18.8500 -18.6351 -18.6313 -2.4164 -2.3739 4.9753 4.9815 7.3593 7.4355 9.7547 9.8064 11.9190 12.0949 13.8390 13.9266 15.1881 15.2000 15.5513 15.6396 19.2213 19.5761 19.7948 20.0107 21.7208 21.9659 23.4917 23.7037 k = 0.1435 0.2486-0.0000 ( 1383 PWs) bands (ev): -57.0520 -57.0520 -28.4683 -28.4611 -18.8566 -18.8365 -18.6325 -18.6277 -2.4502 -2.4110 5.0014 5.0069 7.3196 7.3889 9.8121 9.8668 11.9131 12.0826 13.9206 14.0066 15.2044 15.2340 15.5321 15.6310 19.1846 19.5506 19.7287 19.9644 21.7077 21.9494 23.4128 23.6219 k = 0.1389 0.2406-0.0000 ( 1383 PWs) bands (ev): -57.0535 -57.0535 -28.4636 -28.4571 -18.8404 -18.8232 -18.6297 -18.6241 -2.4840 -2.4479 5.0276 5.0326 7.2792 7.3419 9.8717 9.9290 11.9048 12.0679 14.0014 14.0856 15.2213 15.2706 15.5146 15.6263 19.1496 19.5242 19.6659 19.9184 21.6956 21.9338 23.3338 23.5397 k = 0.1343 0.2325-0.0000 ( 1383 PWs) bands (ev): -57.0549 -57.0549 -28.4590 -28.4530 -18.8246 -18.8100 -18.6267 -18.6203 -2.5175 -2.4845 5.0540 5.0584 7.2381 7.2947 9.9334 9.9929 11.8944 12.0511 14.0812 14.1636 15.2383 15.3094 15.4993 15.6261 19.1164 19.4967 19.6065 19.8726 21.6846 21.9190 23.2547 23.4573 k = 0.1296 0.2245-0.0000 ( 1379 PWs) bands (ev): -57.0564 -57.0564 -28.4544 -28.4490 -18.8091 -18.7970 -18.6233 -18.6162 -2.5507 -2.5207 5.0804 5.0842 7.1966 7.2473 9.9969 10.0584 11.8820 12.0324 14.1598 14.2403 15.2546 15.3493 15.4869 15.6309 19.0851 19.4680 19.5509 19.8271 21.6748 21.9051 23.1759 23.3748 k = 0.1250 0.2165-0.0000 ( 1371 PWs) bands (ev): -57.0578 -57.0578 -28.4499 -28.4449 -18.7941 -18.7844 -18.6197 -18.6119 -2.5836 -2.5563 5.1068 5.1102 7.1546 7.2000 10.0621 10.1252 11.8680 12.0120 14.2372 14.3156 15.2697 15.3878 15.4797 15.6411 19.0557 19.4368 19.5002 19.7820 21.6663 21.8921 23.0975 23.2924 k = 0.1204 0.2085-0.0000 ( 1371 PWs) bands (ev): -57.0592 -57.0592 -28.4455 -28.4410 -18.7798 -18.7722 -18.6156 -18.6073 -2.6161 -2.5914 5.1331 5.1360 7.1124 7.1528 10.1287 10.1931 11.8524 11.9902 14.3132 14.3892 15.2831 15.4159 15.4864 15.6567 19.0283 19.4014 19.4563 19.7372 21.6591 21.8801 23.0196 23.2101 k = 0.1157 0.2005-0.0000 ( 1371 PWs) bands (ev): -57.0605 -57.0605 -28.4411 -28.4371 -18.7661 -18.7606 -18.6111 -18.6023 -2.6481 -2.6259 5.1593 5.1618 7.0701 7.1058 10.1967 10.2620 11.8356 11.9672 14.3874 14.4610 15.2946 15.4238 15.5167 15.6779 19.0027 19.3607 19.4204 19.6929 21.6532 21.8691 22.9425 23.1281 k = 0.1111 0.1925-0.0000 ( 1367 PWs) bands (ev): -57.0619 -57.0619 -28.4368 -28.4332 -18.7533 -18.7496 -18.6059 -18.5968 -2.6795 -2.6597 5.1852 5.1873 7.0279 7.0593 10.2658 10.3317 11.8177 11.9433 14.4600 14.5309 15.3045 15.4211 15.5608 15.7041 18.9790 19.3166 19.3905 19.6492 21.6486 21.8590 22.8664 23.0464 k = 0.1065 0.1844-0.0000 ( 1375 PWs) bands (ev): -57.0632 -57.0632 -28.4327 -28.4295 -18.7416 -18.7394 -18.6001 -18.5908 -2.7104 -2.6927 5.2108 5.2125 6.9858 7.0133 10.3357 10.4019 11.7989 11.9185 14.5305 14.5986 15.3128 15.4161 15.6098 15.7350 18.9570 19.2717 19.3640 19.6062 21.6454 21.8499 22.7916 22.9651 k = 0.1019 0.1764-0.0000 ( 1375 PWs) bands (ev): -57.0645 -57.0645 -28.4286 -28.4258 -18.7309 -18.7299 -18.5936 -18.5843 -2.7405 -2.7248 5.2361 5.2375 6.9441 6.9680 10.4062 10.4724 11.7795 11.8932 14.5989 14.6640 15.3200 15.4111 15.6612 15.7697 18.9366 19.2273 19.3399 19.5641 21.6436 21.8416 22.7181 22.8840 k = 0.0972 0.1684-0.0000 ( 1375 PWs) bands (ev): -57.0658 -57.0658 -28.4247 -28.4222 -18.7214 -18.7213 -18.5863 -18.5773 -2.7698 -2.7561 5.2608 5.2619 6.9029 6.9235 10.4772 10.5430 11.7597 11.8675 14.6651 14.7269 15.3266 15.4070 15.7140 15.8077 18.9178 19.1839 19.3175 19.5230 21.6431 21.8342 22.6464 22.8025 k = 0.0926 0.1604-0.0000 ( 1373 PWs) bands (ev): -57.0670 -57.0670 -28.4208 -28.4187 -18.7136 -18.7129 -18.5783 -18.5697 -2.7983 -2.7864 5.2851 5.2859 6.8624 6.8800 10.5482 10.6133 11.7397 11.8418 14.7288 14.7872 15.3329 15.4039 15.7676 15.8483 18.9003 19.1418 19.2966 19.4832 21.6438 21.8275 22.5765 22.7195 k = 0.0880 0.1524-0.0000 ( 1375 PWs) bands (ev): -57.0682 -57.0682 -28.4172 -28.4153 -18.7068 -18.7056 -18.5697 -18.5617 -2.8259 -2.8156 5.3087 5.3093 6.8226 6.8376 10.6190 10.6831 11.7197 11.8160 14.7900 14.8447 15.3392 15.4020 15.8216 15.8907 18.8841 19.1010 19.2772 19.4447 21.6458 21.8213 22.5086 22.6315 k = 0.0833 0.1443-0.0000 ( 1375 PWs) bands (ev): -57.0694 -57.0694 -28.4136 -28.4120 -18.7008 -18.6994 -18.5605 -18.5533 -2.8526 -2.8437 5.3316 5.3321 6.7838 6.7965 10.6893 10.7521 11.6999 11.7905 14.8483 14.8992 15.3457 15.4012 15.8755 15.9345 18.8690 19.0618 19.2593 19.4079 21.6489 21.8155 22.4426 22.5317 k = 0.0787 0.1363-0.0000 ( 1377 PWs) bands (ev): -57.0705 -57.0705 -28.4102 -28.4089 -18.6956 -18.6941 -18.5510 -18.5446 -2.8782 -2.8707 5.3538 5.3541 6.7461 6.7567 10.7588 10.8200 11.6804 11.7655 14.9037 14.9505 15.3527 15.4016 15.9290 15.9791 18.8548 19.0241 19.2428 19.3729 21.6529 21.8098 22.3766 22.4145 k = 0.0741 0.1283-0.0000 ( 1377 PWs) bands (ev): -57.0715 -57.0715 -28.4070 -28.4058 -18.6910 -18.6896 -18.5413 -18.5357 -2.9027 -2.8964 5.3752 5.3753 6.7097 6.7184 10.8272 10.8865 11.6614 11.7409 14.9560 14.9986 15.3603 15.4032 15.9818 16.0240 18.8415 18.9881 19.2277 19.3400 21.6578 21.8038 22.2858 22.2912 k = 0.0694 0.1203-0.0000 ( 1375 PWs) bands (ev): -57.0725 -57.0725 -28.4039 -28.4029 -18.6871 -18.6858 -18.5315 -18.5267 -2.9261 -2.9208 5.3956 5.3957 6.6747 6.6817 10.8941 10.9512 11.6432 11.7172 15.0050 15.0432 15.3687 15.4060 16.0335 16.0688 18.8288 18.9540 19.2140 19.3093 21.6634 21.7968 22.1540 22.1663 k = 0.0648 0.1123-0.0000 ( 1379 PWs) bands (ev): -57.0735 -57.0735 -28.4010 -28.4002 -18.6838 -18.6826 -18.5219 -18.5179 -2.9483 -2.9440 5.4151 5.4151 6.6411 6.6468 10.9591 11.0137 11.6258 11.6943 15.0506 15.0843 15.3777 15.4098 16.0837 16.1129 18.8167 18.9217 19.2017 19.2811 21.6695 21.7874 22.0239 22.0396 k = 0.0602 0.1042-0.0000 ( 1383 PWs) bands (ev): -57.0744 -57.0744 -28.3983 -28.3976 -18.6809 -18.6799 -18.5124 -18.5092 -2.9692 -2.9657 5.4336 5.4336 6.6093 6.6138 11.0219 11.0736 11.6094 11.6724 15.0926 15.1216 15.3876 15.4148 16.1323 16.1560 18.8051 18.8916 19.1907 19.2556 21.6759 21.7707 21.8978 21.9236 k = 0.0556 0.0962-0.0000 ( 1391 PWs) bands (ev): -57.0753 -57.0753 -28.3958 -28.3953 -18.6785 -18.6777 -18.5034 -18.5008 -2.9888 -2.9860 5.4510 5.4510 6.5792 6.5827 11.0821 11.1306 11.5942 11.6518 15.1308 15.1552 15.3983 15.4207 16.1787 16.1977 18.7940 18.8637 19.1810 19.2328 21.6821 21.7280 21.7770 21.8384 k = 0.0509 0.0882-0.0000 ( 1391 PWs) bands (ev): -57.0760 -57.0760 -28.3934 -28.3930 -18.6764 -18.6758 -18.4947 -18.4927 -3.0070 -3.0049 5.4672 5.4673 6.5510 6.5537 11.1392 11.1842 11.5804 11.6325 15.1651 15.1851 15.4097 15.4278 16.2226 16.2376 18.7833 18.8381 19.1725 19.2129 21.6424 21.6616 21.6889 21.8014 k = 0.0463 0.0802-0.0000 ( 1395 PWs) bands (ev): -57.0768 -57.0768 -28.3912 -28.3909 -18.6747 -18.6742 -18.4866 -18.4850 -3.0239 -3.0222 5.4823 5.4823 6.5249 6.5268 11.1928 11.2339 11.5683 11.6147 15.1955 15.2112 15.4217 15.4357 16.2638 16.2753 18.7730 18.8149 19.1653 19.1958 21.5435 21.5541 21.6940 21.7832 k = 0.0417 0.0722-0.0000 ( 1395 PWs) bands (ev): -57.0774 -57.0774 -28.3892 -28.3890 -18.6732 -18.6728 -18.4790 -18.4779 -3.0392 -3.0380 5.4961 5.4962 6.5008 6.5023 11.2424 11.2792 11.5580 11.5987 15.2219 15.2337 15.4340 15.4444 16.3019 16.3105 18.7632 18.7942 19.1591 19.1814 21.4473 21.4539 21.6985 21.7688 k = 0.0370 0.0642-0.0000 ( 1399 PWs) bands (ev): -57.0780 -57.0780 -28.3875 -28.3873 -18.6719 -18.6717 -18.4722 -18.4713 -3.0531 -3.0523 5.5086 5.5087 6.4791 6.4800 11.2875 11.3194 11.5498 11.5846 15.2445 15.2530 15.4462 15.4535 16.3367 16.3428 18.7540 18.7760 19.1541 19.1697 21.3575 21.3618 21.7017 21.7552 k = 0.0324 0.0561-0.0000 ( 1399 PWs) bands (ev): -57.0785 -57.0785 -28.3859 -28.3858 -18.6709 -18.6707 -18.4660 -18.4654 -3.0654 -3.0649 5.5198 5.5198 6.4596 6.4602 11.3276 11.3541 11.5443 11.5727 15.2635 15.2692 15.4581 15.4629 16.3679 16.3721 18.7454 18.7603 19.1500 19.1604 21.2757 21.2785 21.7035 21.7418 k = 0.0278 0.0481-0.0000 ( 1399 PWs) bands (ev): -57.0790 -57.0790 -28.3845 -28.3845 -18.6700 -18.6699 -18.4605 -18.4602 -3.0762 -3.0759 5.5296 5.5296 6.4425 6.4429 11.3620 11.3825 11.5417 11.5635 15.2790 15.2826 15.4691 15.4721 16.3953 16.3980 18.7377 18.7471 19.1468 19.1533 21.2030 21.2047 21.7036 21.7291 k = 0.0231 0.0401-0.0000 ( 1399 PWs) bands (ev): -57.0794 -57.0794 -28.3834 -28.3833 -18.6693 -18.6692 -18.4559 -18.4557 -3.0854 -3.0852 5.5380 5.5380 6.4280 6.4282 11.3900 11.4044 11.5421 11.5571 15.2915 15.2936 15.4791 15.4808 16.4187 16.4203 18.7308 18.7363 19.1443 19.1481 21.1400 21.1410 21.7022 21.7176 k = 0.0185 0.0321-0.0000 ( 1399 PWs) bands (ev): -57.0797 -57.0797 -28.3824 -28.3824 -18.6688 -18.6687 -18.4520 -18.4519 -3.0929 -3.0928 5.5448 5.5449 6.4159 6.4161 11.4113 11.4198 11.5452 11.5540 15.3012 15.3023 15.4876 15.4884 16.4380 16.4388 18.7250 18.7278 19.1425 19.1444 21.0874 21.0879 21.6996 21.7077 k = 0.0139 0.0241-0.0000 ( 1391 PWs) bands (ev): -57.0799 -57.0799 -28.3816 -28.3816 -18.6683 -18.6683 -18.4490 -18.4490 -3.0988 -3.0988 5.5502 5.5502 6.4066 6.4066 11.4259 11.4298 11.5498 11.5538 15.3085 15.3089 15.4944 15.4948 16.4531 16.4535 18.7203 18.7215 19.1412 19.1420 21.0458 21.0461 21.6963 21.6998 k = 0.0093 0.0160-0.0000 ( 1387 PWs) bands (ev): -57.0801 -57.0801 -28.3811 -28.3811 -18.6680 -18.6680 -18.4468 -18.4468 -3.1030 -3.1030 5.5541 5.5541 6.3998 6.3998 11.4347 11.4359 11.5543 11.5555 15.3135 15.3136 15.4994 15.4995 16.4639 16.4640 18.7168 18.7172 19.1403 19.1406 21.0158 21.0158 21.6932 21.6942 k = 0.0046 0.0080-0.0000 ( 1385 PWs) bands (ev): -57.0802 -57.0802 -28.3807 -28.3807 -18.6678 -18.6678 -18.4455 -18.4455 -3.1056 -3.1056 5.5564 5.5564 6.3957 6.3958 11.4389 11.4391 11.5574 11.5575 15.3164 15.3164 15.5025 15.5025 16.4704 16.4704 18.7146 18.7147 19.1398 19.1398 20.9975 20.9975 21.6908 21.6910 k = 0.0000 0.0000 0.0000 ( 1385 PWs) bands (ev): -57.0803 -57.0803 -28.3806 -28.3806 -18.6678 -18.6678 -18.4451 -18.4451 -3.1064 -3.1064 5.5572 5.5572 6.3944 6.3944 11.4402 11.4402 11.5584 11.5584 15.3173 15.3173 15.5035 15.5035 16.4725 16.4725 18.7139 18.7139 19.1396 19.1396 20.9914 20.9914 21.6899 21.6899 k = 0.0000 0.0000 0.0000 ( 1385 PWs) bands (ev): -57.0803 -57.0803 -28.3806 -28.3806 -18.6678 -18.6678 -18.4451 -18.4451 -3.1064 -3.1064 5.5572 5.5572 6.3944 6.3944 11.4402 11.4402 11.5584 11.5584 15.3173 15.3173 15.5035 15.5035 16.4725 16.4725 18.7139 18.7139 19.1396 19.1396 20.9914 20.9914 21.6899 21.6899 k = 0.0000 0.0000 0.0091 ( 1385 PWs) bands (ev): -57.0803 -57.0803 -28.3806 -28.3806 -18.6678 -18.6678 -18.4451 -18.4451 -3.1053 -3.1053 5.5298 5.5298 6.4229 6.4229 11.4386 11.4433 11.5592 11.5592 15.3144 15.3144 15.4854 15.5135 16.4713 16.4713 18.6960 18.7399 19.1424 19.1424 20.9919 20.9919 21.6896 21.6896 k = 0.0000 0.0000 0.0182 ( 1391 PWs) bands (ev): -57.0803 -57.0803 -28.3807 -28.3807 -18.6680 -18.6680 -18.4451 -18.4451 -3.1019 -3.1019 5.4566 5.4566 6.4993 6.4993 11.4387 11.4481 11.5615 11.5615 15.3056 15.3056 15.4596 15.5152 16.4675 16.4675 18.6866 18.7739 19.1509 19.1509 20.9932 20.9932 21.6887 21.6887 k = 0.0000 0.0000 0.0274 ( 1391 PWs) bands (ev): -57.0803 -57.0803 -28.3807 -28.3807 -18.6683 -18.6683 -18.4451 -18.4451 -3.0962 -3.0962 5.3542 5.3542 6.6070 6.6070 11.4404 11.4546 11.5654 11.5654 15.2910 15.2910 15.4265 15.5085 16.4611 16.4611 18.6856 18.8152 19.1649 19.1649 20.9955 20.9955 21.6872 21.6872 k = 0.0000 0.0000 0.0365 ( 1391 PWs) bands (ev): -57.0803 -57.0803 -28.3808 -28.3808 -18.6687 -18.6687 -18.4451 -18.4450 -3.0883 -3.0883 5.2354 5.2354 6.7334 6.7334 11.4438 11.4627 11.5709 11.5709 15.2709 15.2709 15.3867 15.4937 16.4522 16.4522 18.6929 18.8634 19.1840 19.1840 20.9988 20.9988 21.6852 21.6852 k = 0.0000 0.0000 0.0456 ( 1391 PWs) bands (ev): -57.0803 -57.0803 -28.3808 -28.3808 -18.6692 -18.6692 -18.4450 -18.4450 -3.0781 -3.0781 5.1075 5.1075 6.8709 6.8709 11.4488 11.4724 11.5779 11.5779 15.2454 15.2454 15.3408 15.4709 16.4408 16.4408 18.7082 18.9177 19.2080 19.2080 21.0032 21.0032 21.6828 21.6828 k = 0.0000 0.0000 0.0547 ( 1391 PWs) bands (ev): -57.0803 -57.0803 -28.3809 -28.3809 -18.6698 -18.6698 -18.4450 -18.4450 -3.0658 -3.0658 4.9748 4.9748 7.0155 7.0155 11.4554 11.4837 11.5865 11.5865 15.2148 15.2148 15.2893 15.4406 16.4267 16.4267 18.7310 18.9775 19.2363 19.2363 21.0087 21.0087 21.6802 21.6802 k = 0.0000 0.0000 0.0638 ( 1391 PWs) bands (ev): -57.0802 -57.0802 -28.3810 -28.3810 -18.6705 -18.6705 -18.4450 -18.4449 -3.0512 -3.0512 4.8395 4.8395 7.1649 7.1649 11.4636 11.4967 11.5966 11.5966 15.1793 15.1793 15.2329 15.4032 16.4099 16.4099 18.7607 19.0421 19.2686 19.2686 21.0155 21.0155 21.6776 21.6776 k = 0.0000 0.0000 0.0730 ( 1391 PWs) bands (ev): -57.0802 -57.0802 -28.3810 -28.3810 -18.6713 -18.6713 -18.4449 -18.4449 -3.0345 -3.0345 4.7029 4.7029 7.3176 7.3176 11.4735 11.5112 11.6083 11.6083 15.1394 15.1394 15.1721 15.3593 16.3903 16.3903 18.7967 19.1107 19.3041 19.3041 21.0237 21.0237 21.6751 21.6751 k = 0.0000 0.0000 0.0821 ( 1391 PWs) bands (ev): -57.0802 -57.0802 -28.3811 -28.3811 -18.6722 -18.6722 -18.4449 -18.4449 -3.0158 -3.0158 4.5661 4.5661 7.4728 7.4728 11.4850 11.5274 11.6215 11.6215 15.0953 15.0953 15.1077 15.3095 16.3678 16.3678 18.8382 19.1826 19.3424 19.3424 21.0334 21.0334 21.6730 21.6730 k = 0.0000 0.0000 0.0912 ( 1391 PWs) bands (ev): -57.0802 -57.0802 -28.3812 -28.3812 -18.6732 -18.6732 -18.4448 -18.4448 -2.9949 -2.9949 4.4295 4.4295 7.6300 7.6300 11.4981 11.5452 11.6362 11.6362 15.0400 15.0474 15.0474 15.2545 16.3423 16.3423 18.8845 19.2572 19.3828 19.3828 21.0449 21.0449 21.6716 21.6716 k = 0.0000 0.0000 0.1003 ( 1391 PWs) bands (ev): -57.0802 -57.0802 -28.3813 -28.3813 -18.6742 -18.6742 -18.4447 -18.4447 -2.9721 -2.9721 4.2937 4.2937 7.7886 7.7886 11.5128 11.5646 11.6524 11.6524 14.9696 14.9961 14.9961 15.1948 16.3137 16.3137 18.9349 19.3337 19.4247 19.4247 21.0582 21.0582 21.6710 21.6710 k = 0.0000 0.0000 0.1094 ( 1403 PWs) bands (ev): -57.0802 -57.0802 -28.3815 -28.3815 -18.6754 -18.6754 -18.4447 -18.4447 -2.9474 -2.9474 4.1589 4.1589 7.9484 7.9484 11.5290 11.5856 11.6700 11.6700 14.8968 14.9416 14.9416 15.1311 16.2817 16.2817 18.9885 19.4114 19.4673 19.4673 21.0736 21.0736 21.6717 21.6717 k = 0.0000 0.0000 0.1185 ( 1403 PWs) bands (ev): -57.0802 -57.0802 -28.3816 -28.3816 -18.6766 -18.6766 -18.4447 -18.4447 -2.9208 -2.9208 4.0254 4.0254 8.1091 8.1091 11.5469 11.6082 11.6892 11.6892 14.8222 14.8845 14.8845 15.0639 16.2462 16.2462 19.0447 19.4897 19.5102 19.5102 21.0913 21.0913 21.6738 21.6738 k = 0.0000 0.0000 0.1277 ( 1403 PWs) bands (ev): -57.0802 -57.0802 -28.3818 -28.3818 -18.6778 -18.6778 -18.4446 -18.4446 -2.8924 -2.8924 3.8935 3.8935 8.2706 8.2706 11.5663 11.6324 11.7098 11.7098 14.7461 14.8251 14.8251 14.9938 16.2071 16.2071 19.1029 19.5527 19.5527 19.5680 21.1114 21.1114 21.6777 21.6777 k = 0.0000 0.0000 0.1368 ( 1403 PWs) bands (ev): -57.0802 -57.0802 -28.3819 -28.3819 -18.6791 -18.6791 -18.4445 -18.4445 -2.8623 -2.8623 3.7633 3.7633 8.4326 8.4326 11.5874 11.6581 11.7319 11.7319 14.6688 14.7636 14.7636 14.9212 16.1641 16.1641 19.1624 19.5943 19.5943 19.6456 21.1342 21.1342 21.6836 21.6836 k = 0.0000 0.0000 0.1459 ( 1415 PWs) bands (ev): -57.0802 -57.0802 -28.3821 -28.3821 -18.6805 -18.6805 -18.4445 -18.4445 -2.8307 -2.8307 3.6349 3.6349 8.5949 8.5949 11.6099 11.6854 11.7553 11.7553 14.5905 14.7003 14.7003 14.8466 16.1171 16.1171 19.2226 19.6343 19.6343 19.7217 21.1598 21.1598 21.6782 21.6917 k = 0.0000 0.0000 0.1550 ( 1416 PWs) bands (ev): -57.0802 -57.0802 -28.3822 -28.3822 -18.6819 -18.6819 -18.4444 -18.4444 -2.7975 -2.7975 3.5087 3.5087 8.7575 8.7575 11.6341 11.7142 11.7802 11.7802 14.5117 14.6357 14.6357 14.7703 16.0661 16.0661 19.2830 19.6724 19.6724 19.7959 21.1884 21.1884 21.6626 21.7022 k = 0.0000 0.0000 0.1641 ( 1422 PWs) bands (ev): -57.0802 -57.0802 -28.3824 -28.3824 -18.6834 -18.6834 -18.4443 -18.4443 -2.7630 -2.7630 3.3847 3.3847 8.9201 8.9201 11.6598 11.7445 11.8064 11.8064 14.4324 14.5699 14.5699 14.6927 16.0109 16.0109 19.3430 19.7082 19.7082 19.8673 21.2203 21.2203 21.6493 21.7154 k = 0.0000 0.0000 0.1733 ( 1410 PWs) bands (ev): -57.0801 -57.0801 -28.3825 -28.3825 -18.6848 -18.6848 -18.4442 -18.4442 -2.7272 -2.7272 3.2631 3.2631 9.0826 9.0826 11.6870 11.7764 11.8339 11.8339 14.3530 14.5032 14.5032 14.6142 15.9514 15.9514 19.4024 19.7412 19.7412 19.9353 21.2555 21.2555 21.6385 21.7312 k = 0.0000 0.0000 0.1824 ( 1404 PWs) bands (ev): -57.0801 -57.0801 -28.3826 -28.3826 -18.6862 -18.6862 -18.4441 -18.4441 -2.6904 -2.6904 3.1442 3.1442 9.2449 9.2449 11.7157 11.8098 11.8627 11.8627 14.2735 14.4358 14.4358 14.5349 15.8876 15.8876 19.4606 19.7714 19.7714 19.9992 21.2941 21.2941 21.6308 21.7496 k = 0.0000 0.0000 0.1915 ( 1404 PWs) bands (ev): -57.0801 -57.0801 -28.3828 -28.3828 -18.6877 -18.6877 -18.4440 -18.4440 -2.6526 -2.6526 3.0280 3.0280 9.4067 9.4067 11.7460 11.8446 11.8928 11.8928 14.1943 14.3681 14.3681 14.4551 15.8196 15.8196 19.5173 19.7984 19.7984 20.0585 21.3363 21.3363 21.6266 21.7706 k = 0.0000 0.0000 0.2006 ( 1386 PWs) bands (ev): -57.0801 -57.0801 -28.3828 -28.3828 -18.6890 -18.6890 -18.4438 -18.4438 -2.6140 -2.6140 2.9148 2.9148 9.5679 9.5679 11.7777 11.8808 11.9241 11.9241 14.1154 14.3001 14.3001 14.3751 15.7474 15.7474 19.5723 19.8223 19.8223 20.1126 21.3820 21.3820 21.6262 21.7941 k = 0.0000 0.0000 0.2097 ( 1386 PWs) bands (ev): -57.0800 -57.0800 -28.3830 -28.3830 -18.6905 -18.6905 -18.4438 -18.4438 -2.5748 -2.5748 2.8048 2.8048 9.7282 9.7282 11.8109 11.9185 11.9565 11.9565 14.0370 14.2322 14.2322 14.2951 15.6711 15.6711 19.6253 19.8431 19.8431 20.1609 21.4313 21.4313 21.6301 21.8198 k = 0.0000 0.0000 0.2189 ( 1386 PWs) bands (ev): -57.0800 -57.0800 -28.3831 -28.3831 -18.6919 -18.6919 -18.4437 -18.4437 -2.5353 -2.5353 2.6982 2.6982 9.8873 9.8873 11.8454 11.9574 11.9899 11.9899 13.9592 14.1646 14.1646 14.2152 15.5909 15.5909 19.6761 19.8608 19.8608 20.2030 21.4841 21.4841 21.6382 21.8474 k = 0.0000 0.0000 0.2280 ( 1386 PWs) bands (ev): -57.0800 -57.0800 -28.3833 -28.3833 -18.6933 -18.6933 -18.4436 -18.4436 -2.4955 -2.4955 2.5952 2.5952 10.0451 10.0451 11.8814 11.9977 12.0243 12.0243 13.8823 14.0974 14.0974 14.1357 15.5071 15.5071 19.7246 19.8756 19.8756 20.2389 21.5403 21.5403 21.6507 21.8767 k = 0.0000 0.0000 0.2371 ( 1386 PWs) bands (ev): -57.0800 -57.0800 -28.3834 -28.3834 -18.6946 -18.6946 -18.4435 -18.4435 -2.4559 -2.4559 2.4961 2.4961 10.2011 10.2011 11.9188 12.0393 12.0595 12.0595 13.8063 14.0309 14.0309 14.0566 15.4200 15.4200 19.7707 19.8878 19.8878 20.2685 21.5998 21.5998 21.6674 21.9071 k = 0.0000 0.0000 0.2462 ( 1386 PWs) bands (ev): -57.0800 -57.0800 -28.3836 -28.3836 -18.6959 -18.6959 -18.4435 -18.4435 -2.4166 -2.4166 2.4012 2.4012 10.3551 10.3551 11.9575 12.0820 12.0956 12.0956 13.7314 13.9652 13.9652 13.9782 15.3300 15.3300 19.8144 19.8976 19.8976 20.2919 21.6623 21.6623 21.6879 21.9384 k = 0.0000 0.0000 0.2553 ( 1404 PWs) bands (ev): -57.0800 -57.0800 -28.3838 -28.3838 -18.6973 -18.6973 -18.4434 -18.4434 -2.3779 -2.3779 2.3106 2.3106 10.5065 10.5065 11.9974 12.1257 12.1321 12.1321 13.6577 13.9005 13.9007 13.9007 15.2375 15.2375 19.8556 19.9052 19.9052 20.3094 21.7119 21.7276 21.7276 21.9700 k = 0.0000 0.0000 0.2645 ( 1404 PWs) bands (ev): -57.0800 -57.0800 -28.3839 -28.3839 -18.6985 -18.6985 -18.4434 -18.4434 -2.3401 -2.3401 2.2248 2.2248 10.6549 10.6549 12.0386 12.1692 12.1692 12.1704 13.5855 13.8238 13.8376 13.8376 15.1432 15.1432 19.8945 19.9110 19.9110 20.3214 21.7386 21.7953 21.7953 22.0017 k = 0.0000 0.0000 0.2736 ( 1404 PWs) bands (ev): -57.0800 -57.0800 -28.3841 -28.3841 -18.6996 -18.6996 -18.4433 -18.4433 -2.3036 -2.3036 2.1440 2.1440 10.7996 10.7996 12.0810 12.2064 12.2064 12.2159 13.5149 13.7481 13.7762 13.7762 15.0477 15.0477 19.9151 19.9151 19.9311 20.3286 21.7674 21.8649 21.8649 22.0329 k = 0.0000 0.0000 0.2827 ( 1404 PWs) bands (ev): -57.0800 -57.0800 -28.3842 -28.3842 -18.7006 -18.7006 -18.4433 -18.4433 -2.2685 -2.2685 2.0687 2.0687 10.9398 10.9398 12.1244 12.2435 12.2435 12.2619 13.4462 13.6737 13.7168 13.7168 14.9519 14.9519 19.9179 19.9179 19.9655 20.3313 21.7977 21.9356 21.9356 22.0634 k = 0.0000 0.0000 0.2918 ( 1398 PWs) bands (ev): -57.0800 -57.0800 -28.3842 -28.3842 -18.7016 -18.7016 -18.4432 -18.4432 -2.2353 -2.2353 1.9990 1.9990 11.0748 11.0748 12.1687 12.2803 12.2803 12.3082 13.3799 13.6007 13.6599 13.6599 14.8569 14.8569 19.9197 19.9197 19.9978 20.3303 21.8286 22.0063 22.0063 22.0706 k = 0.0000 0.0000 0.3009 ( 1404 PWs) bands (ev): -57.0800 -57.0800 -28.3844 -28.3844 -18.7025 -18.7025 -18.4432 -18.4432 -2.2044 -2.2044 1.9354 1.9354 11.2032 11.2032 12.2138 12.3161 12.3161 12.3542 13.3162 13.5293 13.6059 13.6059 14.7637 14.7637 19.9206 19.9206 20.0281 20.3259 21.8595 22.0736 22.0736 22.0763 k = 0.0000 0.0000 0.3100 ( 1404 PWs) bands (ev): -57.0800 -57.0800 -28.3844 -28.3844 -18.7032 -18.7032 -18.4431 -18.4431 -2.1761 -2.1761 1.8783 1.8783 11.3240 11.3240 12.2594 12.3506 12.3506 12.3993 13.2561 13.4598 13.5553 13.5553 14.6738 14.6738 19.9209 19.9209 20.0567 20.3187 21.8898 22.0806 22.1249 22.1249 k = 0.0000 0.0000 0.3192 ( 1404 PWs) bands (ev): -57.0799 -57.0799 -28.3845 -28.3845 -18.7039 -18.7039 -18.4431 -18.4431 -2.1507 -2.1507 1.8279 1.8279 11.4354 11.4354 12.3054 12.3829 12.3829 12.4425 13.2004 13.3925 13.5089 13.5089 14.5889 14.5889 19.9208 19.9208 20.0837 20.3092 21.9190 22.0832 22.1544 22.1544 k = 0.0000 0.0000 0.3283 ( 1404 PWs) bands (ev): -57.0799 -57.0799 -28.3846 -28.3846 -18.7045 -18.7045 -18.4431 -18.4431 -2.1285 -2.1285 1.7846 1.7846 11.5356 11.5356 12.3511 12.4125 12.4125 12.4824 13.1508 13.3279 13.4674 13.4674 14.5111 14.5111 19.9204 19.9204 20.1091 20.2976 21.9466 22.0838 22.1755 22.1755 k = 0.0000 0.0000 0.3374 ( 1404 PWs) bands (ev): -57.0799 -57.0799 -28.3846 -28.3846 -18.7050 -18.7050 -18.4430 -18.4430 -2.1099 -2.1099 1.7487 1.7487 11.6224 11.6224 12.3960 12.4383 12.4383 12.5165 13.1094 13.2667 13.4317 13.4317 14.4424 14.4424 19.9199 19.9199 20.1332 20.2843 21.9722 22.0821 22.1923 22.1923 k = 0.0000 0.0000 0.3465 ( 1404 PWs) bands (ev): -57.0799 -57.0799 -28.3847 -28.3847 -18.7054 -18.7054 -18.4430 -18.4430 -2.0951 -2.0951 1.7205 1.7205 11.6935 11.6935 12.4391 12.4596 12.4596 12.5421 13.0793 13.2099 13.4028 13.4028 14.3854 14.3854 19.9194 19.9194 20.1560 20.2695 21.9955 22.0780 22.2053 22.2053 k = 0.0000 0.0000 0.3556 ( 1404 PWs) bands (ev): -57.0799 -57.0799 -28.3847 -28.3847 -18.7057 -18.7057 -18.4430 -18.4430 -2.0844 -2.0844 1.7001 1.7001 11.7466 11.7466 12.4755 12.4755 12.4791 12.5556 13.0638 13.1588 13.3814 13.3814 14.3424 14.3424 19.9190 19.9190 20.1776 20.2534 22.0162 22.0713 22.2146 22.2146 k = 0.0000 0.0000 0.3648 ( 1398 PWs) bands (ev): -57.0799 -57.0799 -28.3847 -28.3847 -18.7058 -18.7058 -18.4430 -18.4430 -2.0779 -2.0779 1.6879 1.6879 11.7794 11.7794 12.4853 12.4853 12.5137 12.5549 13.0652 13.1156 13.3682 13.3682 14.3157 14.3157 19.9187 19.9187 20.1982 20.2361 22.0342 22.0617 22.2202 22.2202 k = 0.0000 0.0000 0.3739 ( 1398 PWs) bands (ev): -57.0799 -57.0799 -28.3847 -28.3847 -18.7059 -18.7059 -18.4430 -18.4430 -2.0757 -2.0757 1.6838 1.6838 11.7906 11.7906 12.4886 12.4886 12.5401 12.5401 13.0833 13.0833 13.3638 13.3638 14.3066 14.3066 19.9186 19.9186 20.2177 20.2177 22.0494 22.0494 22.2220 22.2220 k = 0.0000 0.0000 0.3739 ( 1398 PWs) bands (ev): -57.0799 -57.0799 -28.3847 -28.3847 -18.7059 -18.7059 -18.4430 -18.4430 -2.0757 -2.0757 1.6838 1.6838 11.7906 11.7906 12.4886 12.4886 12.5401 12.5401 13.0833 13.0833 13.3638 13.3638 14.3066 14.3066 19.9186 19.9186 20.2177 20.2177 22.0494 22.0494 22.2220 22.2220 k = 0.0079 0.0046 0.3739 ( 1398 PWs) bands (ev): -57.0799 -57.0799 -28.3848 -28.3848 -18.7059 -18.7059 -18.4434 -18.4434 -2.0755 -2.0755 1.6852 1.6852 11.7882 11.7882 12.4876 12.4876 12.5390 12.5390 13.0828 13.0828 13.3633 13.3633 14.3082 14.3082 19.9197 19.9197 20.2186 20.2186 22.0474 22.0474 22.2197 22.2197 k = 0.0159 0.0092 0.3739 ( 1398 PWs) bands (ev): -57.0798 -57.0798 -28.3851 -28.3851 -18.7060 -18.7060 -18.4446 -18.4446 -2.0750 -2.0750 1.6893 1.6893 11.7811 11.7811 12.4848 12.4848 12.5357 12.5357 13.0812 13.0812 13.3623 13.3623 14.3129 14.3129 19.9230 19.9230 20.2216 20.2216 22.0411 22.0411 22.2130 22.2130 k = 0.0238 0.0137 0.3739 ( 1400 PWs) bands (ev): -57.0796 -57.0796 -28.3856 -28.3856 -18.7062 -18.7062 -18.4467 -18.4467 -2.0742 -2.0742 1.6962 1.6962 11.7694 11.7694 12.4801 12.4801 12.5303 12.5303 13.0780 13.0780 13.3612 13.3612 14.3208 14.3208 19.9285 19.9285 20.2267 20.2267 22.0301 22.0301 22.2029 22.2029 k = 0.0317 0.0183 0.3739 ( 1400 PWs) bands (ev): -57.0794 -57.0794 -28.3863 -28.3863 -18.7066 -18.7066 -18.4496 -18.4496 -2.0731 -2.0731 1.7059 1.7059 11.7532 11.7532 12.4734 12.4734 12.5228 12.5228 13.0724 13.0724 13.3609 13.3609 14.3317 14.3317 19.9361 19.9361 20.2339 20.2339 22.0139 22.0139 22.1905 22.1905 k = 0.0397 0.0229 0.3739 ( 1396 PWs) bands (ev): -57.0790 -57.0790 -28.3872 -28.3872 -18.7069 -18.7069 -18.4533 -18.4533 -2.0716 -2.0716 1.7183 1.7183 11.7327 11.7327 12.4646 12.4646 12.5133 12.5133 13.0636 13.0636 13.3626 13.3626 14.3457 14.3457 19.9457 19.9457 20.2435 20.2435 21.9919 21.9919 22.1769 22.1769 k = 0.0476 0.0275 0.3739 ( 1396 PWs) bands (ev): -57.0787 -57.0787 -28.3883 -28.3883 -18.7075 -18.7075 -18.4577 -18.4577 -2.0697 -2.0697 1.7333 1.7333 11.7079 11.7079 12.4536 12.4536 12.5018 12.5018 13.0507 13.0507 13.3672 13.3672 14.3626 14.3626 19.9573 19.9573 20.2555 20.2555 21.9635 21.9635 22.1630 22.1630 k = 0.0556 0.0321 0.3739 ( 1396 PWs) bands (ev): -57.0782 -57.0782 -28.3897 -28.3897 -18.7081 -18.7081 -18.4629 -18.4629 -2.0676 -2.0676 1.7510 1.7510 11.6792 11.6792 12.4404 12.4404 12.4885 12.4885 13.0330 13.0330 13.3758 13.3758 14.3825 14.3825 19.9707 19.9707 20.2701 20.2701 21.9285 21.9285 22.1493 22.1493 k = 0.0635 0.0367 0.3739 ( 1396 PWs) bands (ev): -57.0777 -57.0777 -28.3912 -28.3912 -18.7089 -18.7089 -18.4688 -18.4688 -2.0651 -2.0651 1.7713 1.7713 11.6468 11.6468 12.4248 12.4248 12.4733 12.4733 13.0103 13.0103 13.3889 13.3889 14.4052 14.4052 19.9858 19.9858 20.2874 20.2874 21.8871 21.8871 22.1358 22.1358 k = 0.0714 0.0412 0.3739 ( 1400 PWs) bands (ev): -57.0771 -57.0771 -28.3929 -28.3929 -18.7098 -18.7098 -18.4754 -18.4754 -2.0624 -2.0624 1.7940 1.7940 11.6108 11.6108 12.4070 12.4070 12.4563 12.4563 12.9826 12.9826 13.4066 13.4066 14.4306 14.4306 20.0027 20.0027 20.3074 20.3074 21.8396 21.8396 22.1227 22.1227 k = 0.0794 0.0458 0.3739 ( 1396 PWs) bands (ev): -57.0765 -57.0765 -28.3947 -28.3947 -18.7109 -18.7109 -18.4826 -18.4826 -2.0593 -2.0593 1.8193 1.8193 11.5715 11.5715 12.3868 12.3868 12.4375 12.4375 12.9506 12.9506 13.4289 13.4289 14.4587 14.4587 20.0211 20.0211 20.3304 20.3304 21.7865 21.7865 22.1097 22.1097 k = 0.0873 0.0504 0.3739 ( 1400 PWs) bands (ev): -57.0758 -57.0758 -28.3968 -28.3968 -18.7122 -18.7122 -18.4904 -18.4904 -2.0559 -2.0559 1.8469 1.8469 11.5292 11.5292 12.3645 12.3645 12.4170 12.4170 12.9145 12.9145 13.4555 13.4555 14.4895 14.4895 20.0412 20.0412 20.3561 20.3561 21.7283 21.7283 22.0967 22.0967 k = 0.0952 0.0550 0.3739 ( 1400 PWs) bands (ev): -57.0750 -57.0750 -28.3990 -28.3990 -18.7138 -18.7138 -18.4987 -18.4987 -2.0522 -2.0522 1.8768 1.8768 11.4840 11.4840 12.3401 12.3401 12.3947 12.3947 12.8750 12.8750 13.4862 13.4862 14.5229 14.5229 20.0629 20.0629 20.3845 20.3845 21.6656 21.6656 22.0836 22.0836 k = 0.1032 0.0596 0.3739 ( 1396 PWs) bands (ev): -57.0742 -57.0742 -28.4014 -28.4014 -18.7156 -18.7156 -18.5074 -18.5074 -2.0482 -2.0482 1.9089 1.9089 11.4361 11.4361 12.3137 12.3137 12.3707 12.3707 12.8327 12.8327 13.5208 13.5208 14.5588 14.5588 20.0862 20.0862 20.4155 20.4155 21.5990 21.5990 22.0702 22.0702 k = 0.1111 0.0642 0.3739 ( 1398 PWs) bands (ev): -57.0733 -57.0733 -28.4040 -28.4040 -18.7177 -18.7177 -18.5165 -18.5165 -2.0440 -2.0440 1.9431 1.9431 11.3858 11.3858 12.2856 12.2856 12.3449 12.3449 12.7881 12.7881 13.5589 13.5589 14.5972 14.5972 20.1111 20.1111 20.4489 20.4489 21.5290 21.5290 22.0565 22.0565 k = 0.1190 0.0687 0.3739 ( 1398 PWs) bands (ev): -57.0724 -57.0724 -28.4068 -28.4068 -18.7203 -18.7203 -18.5258 -18.5258 -2.0394 -2.0394 1.9793 1.9793 11.3333 11.3333 12.2558 12.2558 12.3174 12.3174 12.7417 12.7417 13.6005 13.6005 14.6380 14.6380 20.1377 20.1377 20.4843 20.4843 21.4561 21.4561 22.0424 22.0424 k = 0.1270 0.0733 0.3739 ( 1390 PWs) bands (ev): -57.0714 -57.0714 -28.4096 -28.4096 -18.7232 -18.7232 -18.5353 -18.5353 -2.0346 -2.0346 2.0175 2.0175 11.2787 11.2787 12.2245 12.2245 12.2883 12.2883 12.6940 12.6940 13.6453 13.6453 14.6811 14.6811 20.1658 20.1658 20.5214 20.5214 21.3812 21.3812 22.0280 22.0280 k = 0.1349 0.0779 0.3739 ( 1390 PWs) bands (ev): -57.0703 -57.0703 -28.4126 -28.4126 -18.7268 -18.7268 -18.5448 -18.5448 -2.0295 -2.0295 2.0574 2.0574 11.2223 11.2223 12.1919 12.1919 12.2577 12.2577 12.6454 12.6454 13.6931 13.6931 14.7264 14.7264 20.1956 20.1956 20.5596 20.5596 21.3049 21.3049 22.0132 22.0132 k = 0.1429 0.0825 0.3739 ( 1394 PWs) bands (ev): -57.0693 -57.0693 -28.4158 -28.4158 -18.7309 -18.7309 -18.5543 -18.5543 -2.0242 -2.0242 2.0990 2.0990 11.1641 11.1641 12.1581 12.1581 12.2256 12.2256 12.5961 12.5961 13.7438 13.7438 14.7739 14.7739 20.2267 20.2267 20.5980 20.5980 21.2282 21.2282 21.9981 21.9981 k = 0.1508 0.0871 0.3739 ( 1394 PWs) bands (ev): -57.0681 -57.0681 -28.4191 -28.4191 -18.7358 -18.7358 -18.5635 -18.5635 -2.0187 -2.0187 2.1421 2.1421 11.1045 11.1045 12.1232 12.1232 12.1923 12.1923 12.5468 12.5468 13.7972 13.7972 14.8235 14.8235 20.2593 20.2593 20.6354 20.6354 21.1530 21.1530 21.9826 21.9826 k = 0.1587 0.0916 0.3739 ( 1394 PWs) bands (ev): -57.0670 -57.0670 -28.4226 -28.4226 -18.7415 -18.7415 -18.5724 -18.5724 -2.0129 -2.0129 2.1867 2.1867 11.0435 11.0435 12.0874 12.0874 12.1578 12.1578 12.4975 12.4975 13.8533 13.8533 14.8750 14.8750 20.2928 20.2928 20.6691 20.6691 21.0821 21.0821 21.9669 21.9669 k = 0.1667 0.0962 0.3739 ( 1396 PWs) bands (ev): -57.0658 -57.0658 -28.4261 -28.4261 -18.7480 -18.7480 -18.5809 -18.5809 -2.0069 -2.0069 2.2325 2.2325 10.9814 10.9814 12.0508 12.0508 12.1223 12.1223 12.4487 12.4487 13.9119 13.9119 14.9283 14.9283 20.3269 20.3269 20.6939 20.6939 21.0212 21.0212 21.9510 21.9510 k = 0.1746 0.1008 0.3739 ( 1400 PWs) bands (ev): -57.0645 -57.0645 -28.4298 -28.4298 -18.7555 -18.7555 -18.5887 -18.5887 -2.0007 -2.0007 2.2795 2.2795 10.9182 10.9182 12.0135 12.0135 12.0858 12.0858 12.4006 12.4006 13.9729 13.9729 14.9833 14.9833 20.3607 20.3607 20.7004 20.7004 20.9809 20.9809 21.9350 21.9350 k = 0.1825 0.1054 0.3739 ( 1396 PWs) bands (ev): -57.0632 -57.0632 -28.4336 -28.4336 -18.7640 -18.7640 -18.5959 -18.5959 -1.9944 -1.9944 2.3275 2.3275 10.8542 10.8542 11.9757 11.9757 12.0487 12.0487 12.3535 12.3535 14.0362 14.0362 15.0398 15.0398 20.3922 20.3922 20.6807 20.6807 20.9709 20.9709 21.9188 21.9188 k = 0.1905 0.1100 0.3739 ( 1392 PWs) bands (ev): -57.0619 -57.0619 -28.4374 -28.4374 -18.7735 -18.7735 -18.6023 -18.6023 -1.9878 -1.9878 2.3763 2.3763 10.7895 10.7895 11.9376 11.9376 12.0111 12.0111 12.3077 12.3077 14.1016 14.1016 15.0976 15.0976 20.4163 20.4163 20.6435 20.6435 20.9878 20.9878 21.9027 21.9027 k = 0.1984 0.1146 0.3739 ( 1392 PWs) bands (ev): -57.0606 -57.0606 -28.4413 -28.4413 -18.7840 -18.7840 -18.6080 -18.6080 -1.9811 -1.9811 2.4259 2.4259 10.7243 10.7243 11.8991 11.8991 11.9729 11.9729 12.2632 12.2632 14.1689 14.1689 15.1565 15.1565 20.4206 20.4206 20.6127 20.6127 21.0202 21.0202 21.8867 21.8867 k = 0.2063 0.1191 0.3739 ( 1392 PWs) bands (ev): -57.0593 -57.0593 -28.4453 -28.4453 -18.7954 -18.7954 -18.6130 -18.6130 -1.9743 -1.9743 2.4761 2.4761 10.6586 10.6586 11.8605 11.8605 11.9346 11.9346 12.2204 12.2204 14.2382 14.2382 15.2162 15.2162 20.3907 20.3907 20.6104 20.6104 21.0602 21.0602 21.8710 21.8710 k = 0.2143 0.1237 0.3739 ( 1396 PWs) bands (ev): -57.0579 -57.0579 -28.4494 -28.4494 -18.8076 -18.8076 -18.6174 -18.6174 -1.9673 -1.9673 2.5266 2.5266 10.5928 10.5928 11.8219 11.8219 11.8960 11.8960 12.1793 12.1793 14.3092 14.3092 15.2765 15.2765 20.3343 20.3343 20.6332 20.6332 21.1037 21.1037 21.8556 21.8556 k = 0.2222 0.1283 0.3739 ( 1400 PWs) bands (ev): -57.0565 -57.0565 -28.4536 -28.4536 -18.8206 -18.8206 -18.6211 -18.6211 -1.9602 -1.9602 2.5775 2.5775 10.5268 10.5268 11.7833 11.7833 11.8576 11.8576 12.1402 12.1402 14.3817 14.3817 15.3371 15.3371 20.2665 20.2665 20.6678 20.6678 21.1490 21.1490 21.8407 21.8407 k = 0.2302 0.1329 0.3739 ( 1394 PWs) bands (ev): -57.0551 -57.0551 -28.4577 -28.4577 -18.8342 -18.8342 -18.6242 -18.6242 -1.9530 -1.9530 2.6284 2.6284 10.4608 10.4608 11.7450 11.7450 11.8193 11.8193 12.1032 12.1032 14.4557 14.4557 15.3976 15.3976 20.1952 20.1952 20.7076 20.7076 21.1947 21.1947 21.8266 21.8266 k = 0.2381 0.1375 0.3739 ( 1394 PWs) bands (ev): -57.0537 -57.0537 -28.4619 -28.4619 -18.8483 -18.8483 -18.6268 -18.6268 -1.9458 -1.9458 2.6794 2.6794 10.3951 10.3951 11.7069 11.7069 11.7813 11.7813 12.0683 12.0683 14.5310 14.5310 15.4576 15.4576 20.1240 20.1240 20.7500 20.7500 21.2399 21.2399 21.8136 21.8136 k = 0.2460 0.1420 0.3739 ( 1390 PWs) bands (ev): -57.0523 -57.0523 -28.4661 -28.4661 -18.8629 -18.8629 -18.6290 -18.6290 -1.9384 -1.9384 2.7302 2.7302 10.3297 10.3297 11.6692 11.6692 11.7437 11.7437 12.0358 12.0358 14.6073 14.6073 15.5168 15.5168 20.0546 20.0546 20.7938 20.7938 21.2840 21.2840 21.8020 21.8020 k = 0.2540 0.1466 0.3739 ( 1390 PWs) bands (ev): -57.0509 -57.0509 -28.4703 -28.4703 -18.8777 -18.8777 -18.6308 -18.6308 -1.9311 -1.9311 2.7807 2.7807 10.2647 10.2647 11.6320 11.6320 11.7066 11.7066 12.0058 12.0058 14.6847 14.6847 15.5745 15.5745 19.9884 19.9884 20.8384 20.8384 21.3263 21.3263 21.7923 21.7923 k = 0.2619 0.1512 0.3739 ( 1390 PWs) bands (ev): -57.0494 -57.0494 -28.4745 -28.4745 -18.8928 -18.8928 -18.6323 -18.6323 -1.9237 -1.9237 2.8307 2.8307 10.2004 10.2004 11.5953 11.5953 11.6702 11.6702 11.9782 11.9782 14.7627 14.7627 15.6304 15.6304 19.9264 19.9264 20.8832 20.8832 21.3658 21.3658 21.7851 21.7851 k = 0.2698 0.1558 0.3739 ( 1390 PWs) bands (ev): -57.0480 -57.0480 -28.4787 -28.4787 -18.9080 -18.9080 -18.6335 -18.6335 -1.9163 -1.9163 2.8802 2.8802 10.1368 10.1368 11.5593 11.5593 11.6344 11.6344 11.9532 11.9532 14.8414 14.8414 15.6838 15.6838 19.8695 19.8695 20.9281 20.9281 21.4017 21.4017 21.7812 21.7812 k = 0.2778 0.1604 0.3739 ( 1390 PWs) bands (ev): -57.0466 -57.0466 -28.4829 -28.4829 -18.9233 -18.9233 -18.6345 -18.6345 -1.9089 -1.9089 2.9289 2.9289 10.0741 10.0741 11.5239 11.5239 11.5994 11.5994 11.9309 11.9309 14.9204 14.9204 15.7342 15.7342 19.8186 19.8186 20.9727 20.9727 21.4329 21.4329 21.7816 21.7816 k = 0.2857 0.1650 0.3739 ( 1390 PWs) bands (ev): -57.0452 -57.0452 -28.4871 -28.4871 -18.9385 -18.9385 -18.6353 -18.6353 -1.9015 -1.9015 2.9768 2.9768 10.0124 10.0124 11.4893 11.4893 11.5653 11.5653 11.9114 11.9114 14.9997 14.9997 15.7811 15.7811 19.7745 19.7745 21.0169 21.0169 21.4583 21.4583 21.7872 21.7872 k = 0.2937 0.1695 0.3739 ( 1390 PWs) bands (ev): -57.0439 -57.0439 -28.4912 -28.4912 -18.9537 -18.9537 -18.6359 -18.6359 -1.8943 -1.8943 3.0237 3.0237 9.9518 9.9518 11.4554 11.4554 11.5322 11.5322 11.8945 11.8945 15.0789 15.0789 15.8239 15.8239 19.7379 19.7379 21.0604 21.0604 21.4775 21.4775 21.7987 21.7987 k = 0.3016 0.1741 0.3739 ( 1390 PWs) bands (ev): -57.0425 -57.0425 -28.4953 -28.4953 -18.9687 -18.9687 -18.6364 -18.6364 -1.8870 -1.8870 3.0695 3.0695 9.8924 9.8924 11.4224 11.4224 11.5000 11.5000 11.8805 11.8805 15.1578 15.1578 15.8619 15.8619 19.7096 19.7096 21.1031 21.1031 21.4902 21.4902 21.8158 21.8158 k = 0.3095 0.1787 0.3739 ( 1386 PWs) bands (ev): -57.0412 -57.0412 -28.4993 -28.4993 -18.9835 -18.9835 -18.6367 -18.6367 -1.8799 -1.8799 3.1141 3.1141 9.8345 9.8345 11.3903 11.3903 11.4688 11.4688 11.8692 11.8692 15.2362 15.2362 15.8948 15.8948 19.6902 19.6902 21.1448 21.1448 21.4973 21.4973 21.8380 21.8380 k = 0.3175 0.1833 0.3739 ( 1392 PWs) bands (ev): -57.0399 -57.0399 -28.5032 -28.5032 -18.9981 -18.9981 -18.6369 -18.6369 -1.8729 -1.8729 3.1574 3.1574 9.7779 9.7779 11.3592 11.3592 11.4387 11.4387 11.8607 11.8607 15.3138 15.3138 15.9222 15.9222 19.6802 19.6802 21.1853 21.1853 21.5000 21.5000 21.8640 21.8640 k = 0.3254 0.1879 0.3739 ( 1388 PWs) bands (ev): -57.0386 -57.0386 -28.5071 -28.5071 -19.0124 -19.0124 -18.6371 -18.6371 -1.8660 -1.8660 3.1994 3.1994 9.7230 9.7230 11.3290 11.3290 11.4097 11.4097 11.8548 11.8548 15.3903 15.3903 15.9438 15.9438 19.6802 19.6802 21.2245 21.2245 21.4996 21.4996 21.8927 21.8927 k = 0.3333 0.1925 0.3739 ( 1384 PWs) bands (ev): -57.0373 -57.0373 -28.5108 -28.5108 -19.0263 -19.0263 -18.6371 -18.6371 -1.8592 -1.8592 3.2398 3.2398 9.6698 9.6698 11.2998 11.2998 11.3818 11.3818 11.8516 11.8516 15.4653 15.4653 15.9596 15.9596 19.6904 19.6904 21.2619 21.2619 21.4972 21.4972 21.9228 21.9228 k = 0.3413 0.1970 0.3739 ( 1380 PWs) bands (ev): -57.0361 -57.0361 -28.5144 -28.5144 -19.0398 -19.0398 -18.6371 -18.6371 -1.8526 -1.8526 3.2787 3.2787 9.6183 9.6183 11.2717 11.2717 11.3551 11.3551 11.8509 11.8509 15.5385 15.5385 15.9697 15.9697 19.7109 19.7109 21.2973 21.2973 21.4941 21.4941 21.9537 21.9537 k = 0.3492 0.2016 0.3739 ( 1388 PWs) bands (ev): -57.0349 -57.0349 -28.5180 -28.5180 -19.0530 -19.0530 -18.6371 -18.6371 -1.8462 -1.8462 3.3160 3.3160 9.5688 9.5688 11.2448 11.2448 11.3295 11.3295 11.8526 11.8526 15.6091 15.6091 15.9746 15.9746 19.7416 19.7416 21.3300 21.3300 21.4913 21.4913 21.9846 21.9846 k = 0.3571 0.2062 0.3739 ( 1388 PWs) bands (ev): -57.0338 -57.0338 -28.5215 -28.5215 -19.0656 -19.0656 -18.6370 -18.6370 -1.8400 -1.8400 3.3516 3.3516 9.5212 9.5212 11.2189 11.2189 11.3052 11.3052 11.8566 11.8566 15.6762 15.6762 15.9753 15.9753 19.7823 19.7823 21.3591 21.3591 21.4904 21.4904 22.0152 22.0152 k = 0.3651 0.2108 0.3739 ( 1388 PWs) bands (ev): -57.0327 -57.0327 -28.5247 -28.5247 -19.0778 -19.0778 -18.6369 -18.6369 -1.8341 -1.8341 3.3854 3.3854 9.4757 9.4757 11.1943 11.1943 11.2821 11.2821 11.8626 11.8626 15.7379 15.7379 15.9740 15.9740 19.8326 19.8326 21.3827 21.3827 21.4933 21.4933 22.0449 22.0449 k = 0.3730 0.2154 0.3739 ( 1388 PWs) bands (ev): -57.0317 -57.0317 -28.5279 -28.5279 -19.0894 -19.0894 -18.6367 -18.6367 -1.8283 -1.8283 3.4174 3.4174 9.4323 9.4323 11.1709 11.1709 11.2603 11.2603 11.8706 11.8706 15.7901 15.7901 15.9749 15.9749 19.8920 19.8920 21.3989 21.3989 21.5024 21.5024 22.0737 22.0737 k = 0.3810 0.2199 0.3739 ( 1388 PWs) bands (ev): -57.0307 -57.0307 -28.5309 -28.5309 -19.1005 -19.1005 -18.6365 -18.6365 -1.8228 -1.8228 3.4476 3.4476 9.3912 9.3912 11.1487 11.1487 11.2397 11.2397 11.8802 11.8802 15.8250 15.8250 15.9864 15.9864 19.9597 19.9597 21.4075 21.4075 21.5181 21.5181 22.1012 22.1012 k = 0.3889 0.2245 0.3739 ( 1390 PWs) bands (ev): -57.0298 -57.0298 -28.5338 -28.5338 -19.1109 -19.1109 -18.6363 -18.6363 -1.8176 -1.8176 3.4759 3.4759 9.3524 9.3524 11.1279 11.1279 11.2203 11.2203 11.8912 11.8912 15.8359 15.8359 16.0154 16.0154 20.0349 20.0349 21.4105 21.4105 21.5386 21.5386 22.1274 22.1274 k = 0.3968 0.2291 0.3739 ( 1390 PWs) bands (ev): -57.0289 -57.0289 -28.5365 -28.5365 -19.1208 -19.1208 -18.6361 -18.6361 -1.8127 -1.8127 3.5023 3.5023 9.3159 9.3159 11.1083 11.1083 11.2023 11.2023 11.9035 11.9035 15.8279 15.8279 16.0575 16.0575 20.1165 20.1165 21.4106 21.4106 21.5614 21.5614 22.1522 22.1522 k = 0.4048 0.2337 0.3739 ( 1390 PWs) bands (ev): -57.0280 -57.0280 -28.5390 -28.5390 -19.1300 -19.1300 -18.6359 -18.6359 -1.8081 -1.8081 3.5267 3.5267 9.2819 9.2819 11.0901 11.0901 11.1856 11.1856 11.9166 11.9166 15.8097 15.8097 16.1045 16.1045 20.2035 20.2035 21.4096 21.4096 21.5851 21.5851 22.1754 22.1754 k = 0.4127 0.2383 0.3739 ( 1390 PWs) bands (ev): -57.0273 -57.0273 -28.5413 -28.5413 -19.1386 -19.1386 -18.6357 -18.6357 -1.8037 -1.8037 3.5493 3.5493 9.2504 9.2504 11.0732 11.0732 11.1701 11.1701 11.9302 11.9302 15.7864 15.7864 16.1519 16.1519 20.2946 20.2946 21.4086 21.4086 21.6088 21.6088 22.1971 22.1971 k = 0.4206 0.2429 0.3739 ( 1382 PWs) bands (ev): -57.0265 -57.0265 -28.5434 -28.5434 -19.1464 -19.1464 -18.6355 -18.6355 -1.7998 -1.7998 3.5699 3.5699 9.2215 9.2215 11.0578 11.0578 11.1560 11.1560 11.9442 11.9442 15.7607 15.7607 16.1975 16.1975 20.3883 20.3883 21.4083 21.4083 21.6323 21.6323 22.2172 22.2172 k = 0.4286 0.2474 0.3739 ( 1374 PWs) bands (ev): -57.0259 -57.0259 -28.5454 -28.5454 -19.1536 -19.1536 -18.6353 -18.6353 -1.7961 -1.7961 3.5885 3.5885 9.1951 9.1951 11.0438 11.0438 11.1433 11.1433 11.9582 11.9582 15.7341 15.7341 16.2402 16.2402 20.4830 20.4830 21.4092 21.4092 21.6557 21.6557 22.2356 22.2356 k = 0.4365 0.2520 0.3739 ( 1378 PWs) bands (ev): -57.0253 -57.0253 -28.5472 -28.5472 -19.1601 -19.1601 -18.6351 -18.6351 -1.7928 -1.7928 3.6052 3.6052 9.1714 9.1714 11.0311 11.0311 11.1318 11.1318 11.9717 11.9717 15.7077 15.7077 16.2794 16.2794 20.5766 20.5766 21.4118 21.4118 21.6791 21.6791 22.2525 22.2525 k = 0.4444 0.2566 0.3739 ( 1382 PWs) bands (ev): -57.0248 -57.0248 -28.5488 -28.5488 -19.1658 -19.1658 -18.6349 -18.6349 -1.7899 -1.7899 3.6199 3.6199 9.1504 9.1504 11.0199 11.0199 11.1217 11.1217 11.9846 11.9846 15.6826 15.6826 16.3148 16.3148 20.6667 20.6667 21.4165 21.4165 21.7030 21.7030 22.2677 22.2677 k = 0.4524 0.2612 0.3739 ( 1380 PWs) bands (ev): -57.0243 -57.0243 -28.5502 -28.5502 -19.1708 -19.1708 -18.6348 -18.6348 -1.7873 -1.7873 3.6326 3.6326 9.1321 9.1321 11.0102 11.0102 11.1129 11.1129 11.9965 11.9965 15.6593 15.6593 16.3459 16.3459 20.7508 20.7508 21.4237 21.4237 21.7277 21.7277 22.2815 22.2815 k = 0.4603 0.2658 0.3739 ( 1376 PWs) bands (ev): -57.0239 -57.0239 -28.5513 -28.5513 -19.1751 -19.1751 -18.6346 -18.6346 -1.7852 -1.7852 3.6434 3.6434 9.1166 9.1166 11.0020 11.0020 11.1054 11.1054 12.0071 12.0071 15.6386 15.6386 16.3726 16.3726 20.8259 20.8259 21.4331 21.4331 21.7537 21.7537 22.2938 22.2938 k = 0.4683 0.2703 0.3739 ( 1374 PWs) bands (ev): -57.0236 -57.0236 -28.5523 -28.5523 -19.1785 -19.1785 -18.6345 -18.6345 -1.7834 -1.7834 3.6522 3.6522 9.1039 9.1039 10.9952 10.9952 11.0993 11.0993 12.0162 12.0162 15.6209 15.6209 16.3947 16.3947 20.8894 20.8894 21.4444 21.4444 21.7809 21.7809 22.3049 22.3049 k = 0.4762 0.2749 0.3739 ( 1372 PWs) bands (ev): -57.0234 -57.0234 -28.5530 -28.5530 -19.1813 -19.1813 -18.6344 -18.6344 -1.7820 -1.7820 3.6590 3.6590 9.0940 9.0940 10.9900 10.9900 11.0946 11.0946 12.0235 12.0235 15.6067 15.6067 16.4121 16.4121 20.9393 20.9393 21.4562 21.4562 21.8082 21.8082 22.3146 22.3146 k = 0.4841 0.2795 0.3739 ( 1368 PWs) bands (ev): -57.0232 -57.0232 -28.5535 -28.5535 -19.1832 -19.1832 -18.6344 -18.6344 -1.7810 -1.7810 3.6639 3.6639 9.0869 9.0869 10.9862 10.9862 11.0912 11.0912 12.0289 12.0289 15.5964 15.5964 16.4245 16.4245 20.9747 20.9747 21.4666 21.4666 21.8329 21.8329 22.3227 22.3227 k = 0.4921 0.2841 0.3739 ( 1376 PWs) bands (ev): -57.0231 -57.0231 -28.5539 -28.5539 -19.1844 -19.1844 -18.6344 -18.6344 -1.7804 -1.7804 3.6669 3.6669 9.0826 9.0826 10.9839 10.9839 11.0892 11.0892 12.0322 12.0322 15.5900 15.5900 16.4320 16.4320 20.9956 20.9956 21.4737 21.4737 21.8506 21.8506 22.3285 22.3285 k = 0.5000 0.2887 0.3739 ( 1376 PWs) bands (ev): -57.0231 -57.0231 -28.5540 -28.5540 -19.1848 -19.1848 -18.6343 -18.6343 -1.7802 -1.7802 3.6678 3.6678 9.0812 9.0812 10.9832 10.9832 11.0885 11.0885 12.0333 12.0333 15.5879 15.5879 16.4345 16.4345 21.0025 21.0025 21.4763 21.4763 21.8572 21.8572 22.3306 22.3306 k = 0.5000 0.2887 0.3739 ( 1376 PWs) bands (ev): -57.0231 -57.0231 -28.5540 -28.5540 -19.1848 -19.1848 -18.6343 -18.6343 -1.7802 -1.7802 3.6678 3.6678 9.0812 9.0812 10.9832 10.9832 11.0885 11.0885 12.0333 12.0333 15.5879 15.5879 16.4345 16.4345 21.0025 21.0025 21.4763 21.4763 21.8572 21.8572 22.3306 22.3306 k = 0.4954 0.2967 0.3739 ( 1368 PWs) bands (ev): -57.0230 -57.0230 -28.5547 -28.5533 -19.1870 -19.1824 -18.6347 -18.6344 -1.7801 -1.7800 3.6574 3.6797 9.0803 9.0819 10.9620 10.9769 11.0960 11.1060 12.0320 12.0377 15.5808 15.5926 16.4337 16.4378 20.9780 21.0186 21.4214 21.5093 21.8574 21.8598 22.3231 22.3343 k = 0.4907 0.3047 0.3739 ( 1364 PWs) bands (ev): -57.0230 -57.0230 -28.5554 -28.5527 -19.1891 -19.1798 -18.6356 -18.6349 -1.7799 -1.7795 3.6484 3.6929 9.0792 9.0824 10.9272 10.9490 11.1225 11.1345 12.0338 12.0451 15.5712 15.5949 16.4353 16.4435 20.9445 21.0258 21.3487 21.5201 21.8605 21.8649 22.3143 22.3323 k = 0.4861 0.3127 0.3739 ( 1364 PWs) bands (ev): -57.0229 -57.0229 -28.5563 -28.5522 -19.1911 -19.1772 -18.6370 -18.6360 -1.7794 -1.7789 3.6409 3.7075 9.0778 9.0827 10.8875 10.9128 11.1548 11.1655 12.0386 12.0556 15.5590 15.5948 16.4392 16.4516 20.9011 21.0221 21.2655 21.5116 21.8667 21.8721 22.3057 22.3252 k = 0.4815 0.3208 0.3739 ( 1364 PWs) bands (ev): -57.0228 -57.0228 -28.5572 -28.5517 -19.1930 -19.1744 -18.6388 -18.6375 -1.7787 -1.7780 3.6347 3.7234 9.0763 9.0828 10.8455 10.8733 11.1882 11.1963 12.0465 12.0691 15.5444 15.5923 16.4454 16.4624 20.8473 20.9996 21.1844 21.4887 21.8759 21.8815 22.2978 22.3155 k = 0.4769 0.3288 0.3739 ( 1364 PWs) bands (ev): -57.0227 -57.0227 -28.5581 -28.5513 -19.1947 -19.1714 -18.6412 -18.6394 -1.7778 -1.7769 3.6300 3.7405 9.0744 9.0826 10.8023 10.8320 11.2210 11.2259 12.0574 12.0856 15.5272 15.5873 16.4539 16.4758 20.7831 20.9431 21.1243 21.4562 21.8882 21.8932 22.2903 22.3055 k = 0.4722 0.3368 0.3739 ( 1372 PWs) bands (ev): -57.0226 -57.0226 -28.5591 -28.5510 -19.1964 -19.1684 -18.6441 -18.6417 -1.7766 -1.7756 3.6266 3.7588 9.0721 9.0821 10.7586 10.7899 11.2526 11.2541 12.0712 12.1051 15.5073 15.5798 16.4648 16.4919 20.7088 20.8516 21.0893 21.4177 21.9039 21.9074 22.2830 22.2966 k = 0.4676 0.3448 0.3739 ( 1376 PWs) bands (ev): -57.0225 -57.0225 -28.5602 -28.5507 -19.1979 -19.1653 -18.6474 -18.6445 -1.7753 -1.7741 3.6246 3.7782 9.0695 9.0812 10.7147 10.7475 11.2804 11.2827 12.0880 12.1275 15.4847 15.5698 16.4780 16.5107 20.6256 20.7418 21.0645 21.3755 21.9231 21.9237 22.2756 22.2899 k = 0.4630 0.3528 0.3739 ( 1372 PWs) bands (ev): -57.0223 -57.0223 -28.5613 -28.5505 -19.1994 -19.1619 -18.6512 -18.6475 -1.7737 -1.7724 3.6238 3.7987 9.0663 9.0800 10.6710 10.7052 11.3050 11.3111 12.1076 12.1528 15.4595 15.5571 16.4935 16.5323 20.5352 20.6245 21.0407 21.3309 21.9414 21.9460 22.2679 22.2862 k = 0.4583 0.3608 0.3739 ( 1368 PWs) bands (ev): -57.0221 -57.0221 -28.5624 -28.5503 -19.2007 -19.1585 -18.6554 -18.6509 -1.7720 -1.7705 3.6243 3.8200 9.0626 9.0782 10.6278 10.6634 11.3276 11.3377 12.1300 12.1810 15.4315 15.5417 16.5115 16.5568 20.4391 20.5041 21.0144 21.2843 21.9593 21.9728 22.2600 22.2867 k = 0.4537 0.3689 0.3739 ( 1368 PWs) bands (ev): -57.0219 -57.0219 -28.5635 -28.5502 -19.2020 -19.1549 -18.6600 -18.6546 -1.7701 -1.7684 3.6259 3.8422 9.0583 9.0758 10.5854 10.6222 11.3483 11.3622 12.1552 12.2120 15.4007 15.5236 16.5318 16.5841 20.3391 20.3830 20.9844 21.2355 21.9758 22.0035 22.2518 22.2930 k = 0.4491 0.3769 0.3739 ( 1372 PWs) bands (ev): -57.0217 -57.0217 -28.5647 -28.5502 -19.2032 -19.1513 -18.6650 -18.6586 -1.7681 -1.7662 3.6287 3.8651 9.0532 9.0728 10.5440 10.5821 11.3670 11.3848 12.1831 12.2459 15.3671 15.5025 16.5545 16.6143 20.2366 20.2623 20.9501 21.1846 21.9892 22.0380 22.2433 22.3064 k = 0.4444 0.3849 0.3739 ( 1372 PWs) bands (ev): -57.0214 -57.0214 -28.5660 -28.5503 -19.2044 -19.1476 -18.6703 -18.6627 -1.7659 -1.7638 3.6324 3.8886 9.0473 9.0690 10.5040 10.5433 11.3838 11.4054 12.2136 12.2827 15.3307 15.4786 16.5797 16.6474 20.1331 20.1431 20.9112 21.1314 21.9983 22.0760 22.2346 22.3280 k = 0.4398 0.3929 0.3739 ( 1372 PWs) bands (ev): -57.0212 -57.0212 -28.5672 -28.5503 -19.2055 -19.1438 -18.6760 -18.6671 -1.7635 -1.7613 3.6371 3.9126 9.0405 9.0644 10.4656 10.5062 11.3987 11.4239 12.2469 12.3223 15.2914 15.4516 16.6072 16.6833 20.0260 20.0297 20.8678 21.0756 22.0024 22.1172 22.2259 22.3579 k = 0.4352 0.4009 0.3739 ( 1376 PWs) bands (ev): -57.0209 -57.0209 -28.5685 -28.5505 -19.2066 -19.1400 -18.6819 -18.6716 -1.7611 -1.7587 3.6426 3.9369 9.0328 9.0589 10.4291 10.4708 11.4118 11.4403 12.2827 12.3647 15.2493 15.4214 16.6370 16.7221 19.9115 19.9273 20.8200 21.0172 22.0021 22.1608 22.2178 22.3954 k = 0.4306 0.4090 0.3739 ( 1374 PWs) bands (ev): -57.0206 -57.0206 -28.5697 -28.5507 -19.2076 -19.1361 -18.6881 -18.6762 -1.7585 -1.7560 3.6488 3.9614 9.0242 9.0524 10.3946 10.4375 11.4230 11.4547 12.3213 12.4100 15.2044 15.3881 16.6691 16.7637 19.8002 19.8270 20.7679 20.9562 21.9981 22.1976 22.2191 22.4394 k = 0.4259 0.4170 0.3739 ( 1374 PWs) bands (ev): -57.0203 -57.0203 -28.5710 -28.5509 -19.2086 -19.1322 -18.6945 -18.6808 -1.7559 -1.7532 3.6557 3.9859 9.0145 9.0449 10.3624 10.4065 11.4323 11.4671 12.3625 12.4581 15.1567 15.3516 16.7033 16.8081 19.6925 19.7295 20.7118 20.8926 21.9914 22.1959 22.2611 22.4883 k = 0.4213 0.4250 0.3739 ( 1374 PWs) bands (ev): -57.0201 -57.0201 -28.5723 -28.5511 -19.2096 -19.1283 -18.7011 -18.6855 -1.7532 -1.7503 3.6632 4.0104 9.0038 9.0364 10.3326 10.3778 11.4399 11.4774 12.4064 12.5090 15.1061 15.3117 16.7397 16.8552 19.5886 19.6356 20.6518 20.8264 21.9828 22.1880 22.3113 22.5411 k = 0.4167 0.4330 0.3739 ( 1370 PWs) bands (ev): -57.0197 -57.0197 -28.5735 -28.5514 -19.2107 -19.1243 -18.7077 -18.6902 -1.7505 -1.7474 3.6711 4.0347 8.9921 9.0268 10.3053 10.3516 11.4458 11.4858 12.4530 12.5627 15.0528 15.2685 16.7779 16.9049 19.4892 19.5459 20.5883 20.7578 21.9731 22.1797 22.3632 22.5965 k = 0.4120 0.4410 0.3739 ( 1370 PWs) bands (ev): -57.0194 -57.0194 -28.5748 -28.5518 -19.2117 -19.1205 -18.7144 -18.6948 -1.7478 -1.7445 3.6793 4.0587 8.9795 9.0163 10.2807 10.3280 11.4500 11.4924 12.5024 12.6191 14.9967 15.2219 16.8178 16.9570 19.3944 19.4611 20.5215 20.6868 21.9628 22.1717 22.4160 22.6537 k = 0.4074 0.4491 0.3739 ( 1374 PWs) bands (ev): -57.0191 -57.0191 -28.5760 -28.5521 -19.2128 -19.1167 -18.7211 -18.6993 -1.7450 -1.7417 3.6878 4.0821 8.9661 9.0048 10.2587 10.3070 11.4527 11.4972 12.5544 12.6782 14.9379 15.1719 16.8592 17.0114 19.3047 19.3818 20.4517 20.6135 21.9522 22.1640 22.4689 22.7118 k = 0.4028 0.4571 0.3739 ( 1374 PWs) bands (ev): -57.0188 -57.0188 -28.5773 -28.5525 -19.2138 -19.1130 -18.7278 -18.7037 -1.7423 -1.7388 3.6964 4.1049 8.9519 8.9924 10.2393 10.2885 11.4539 11.5004 12.6091 12.7400 14.8764 15.1186 16.9017 17.0680 19.2204 19.3086 20.3792 20.5381 21.9418 22.1568 22.5215 22.7700 k = 0.3981 0.4651 0.3739 ( 1378 PWs) bands (ev): -57.0185 -57.0185 -28.5785 -28.5530 -19.2149 -19.1094 -18.7343 -18.7079 -1.7396 -1.7359 3.7050 4.1270 8.9372 8.9794 10.2226 10.2725 11.4538 11.5020 12.6665 12.8043 14.8122 15.0618 16.9451 17.1263 19.1419 19.2421 20.3041 20.4608 21.9316 22.1502 22.5733 22.8276 k = 0.3935 0.4731 0.3739 ( 1378 PWs) bands (ev): -57.0182 -57.0182 -28.5796 -28.5534 -19.2160 -19.1060 -18.7407 -18.7119 -1.7370 -1.7332 3.7136 4.1481 8.9220 8.9658 10.2084 10.2589 11.4524 11.5023 12.7266 12.8711 14.7456 15.0018 16.9889 17.1861 19.0696 19.1829 20.2270 20.3817 21.9219 22.1441 22.6238 22.8839 k = 0.3889 0.4811 0.3739 ( 1382 PWs) bands (ev): -57.0180 -57.0180 -28.5807 -28.5538 -19.2172 -19.1027 -18.7469 -18.7158 -1.7344 -1.7305 3.7221 4.1683 8.9067 8.9519 10.1965 10.2475 11.4500 11.5013 12.7892 12.9403 14.6765 14.9385 17.0327 17.2470 19.0040 19.1317 20.1479 20.3011 21.9128 22.1386 22.6723 22.9385 k = 0.3843 0.4891 0.3739 ( 1378 PWs) bands (ev): -57.0177 -57.0177 -28.5818 -28.5542 -19.2183 -19.0996 -18.7528 -18.7193 -1.7320 -1.7279 3.7302 4.1874 8.8914 8.9379 10.1868 10.2383 11.4468 11.4993 12.8544 13.0117 14.6052 14.8722 17.0760 17.3083 18.9455 19.0891 20.0674 20.2192 21.9044 22.1338 22.7187 22.9906 k = 0.3796 0.4972 0.3739 ( 1378 PWs) bands (ev): -57.0174 -57.0174 -28.5828 -28.5547 -19.2194 -19.0968 -18.7583 -18.7226 -1.7297 -1.7255 3.7381 4.2052 8.8763 8.9239 10.1791 10.2310 11.4427 11.4964 12.9220 13.0851 14.5316 14.8030 17.1180 17.3695 18.8949 19.0556 19.9857 20.1361 21.8968 22.1296 22.7622 23.0398 k = 0.3750 0.5052 0.3739 ( 1366 PWs) bands (ev): -57.0171 -57.0171 -28.5836 -28.5550 -19.2205 -19.0942 -18.7634 -18.7255 -1.7275 -1.7232 3.7455 4.2217 8.8617 8.9103 10.1732 10.2253 11.4382 11.4929 12.9919 13.1605 14.4561 14.7312 17.1583 17.4295 18.8526 19.0318 19.9032 20.0522 21.8901 22.1261 22.8027 23.0857 k = 0.3704 0.5132 0.3739 ( 1366 PWs) bands (ev): -57.0169 -57.0169 -28.5845 -28.5554 -19.2216 -19.0918 -18.7682 -18.7282 -1.7255 -1.7211 3.7525 4.2367 8.8478 8.8972 10.1688 10.2212 11.4333 11.4889 13.0641 13.2375 14.3786 14.6569 17.1961 17.4873 18.8196 19.0183 19.8205 19.9676 21.8841 22.1232 22.8397 23.1277 k = 0.3657 0.5212 0.3739 ( 1362 PWs) bands (ev): -57.0167 -57.0167 -28.5853 -28.5558 -19.2226 -19.0898 -18.7724 -18.7305 -1.7236 -1.7192 3.7588 4.2502 8.8348 8.8849 10.1658 10.2183 11.4282 11.4846 13.1383 13.3158 14.2996 14.5807 17.2309 17.5418 18.7964 19.0156 19.7382 19.8827 21.8791 22.1209 22.8729 23.1656 k = 0.3611 0.5292 0.3739 ( 1358 PWs) bands (ev): -57.0165 -57.0165 -28.5859 -28.5561 -19.2236 -19.0880 -18.7761 -18.7326 -1.7220 -1.7174 3.7645 4.2621 8.8229 8.8736 10.1639 10.2165 11.4232 11.4802 13.2144 13.3951 14.2191 14.5029 17.2619 17.5916 18.7838 19.0240 19.6569 19.7977 21.8749 22.1192 22.9021 23.1989 k = 0.3565 0.5373 0.3739 ( 1354 PWs) bands (ev): -57.0163 -57.0163 -28.5865 -28.5564 -19.2245 -19.0866 -18.7793 -18.7343 -1.7206 -1.7159 3.7694 4.2723 8.8124 8.8636 10.1628 10.2154 11.4185 11.4760 13.2922 13.4746 14.1375 14.4243 17.2888 17.6353 18.7820 19.0436 19.5778 19.7129 21.8715 22.1180 22.9271 23.2274 k = 0.3519 0.5453 0.3739 ( 1354 PWs) bands (ev): -57.0162 -57.0162 -28.5870 -28.5567 -19.2253 -19.0855 -18.7819 -18.7357 -1.7194 -1.7147 3.7736 4.2808 8.8034 8.8550 10.1623 10.2150 11.4142 11.4721 13.3713 13.5535 14.0550 14.3460 17.3110 17.6717 18.7908 19.0746 19.5024 19.6287 21.8688 22.1172 22.9476 23.2510 k = 0.3472 0.5533 0.3739 ( 1354 PWs) bands (ev): -57.0161 -57.0161 -28.5875 -28.5569 -19.2260 -19.0846 -18.7840 -18.7367 -1.7184 -1.7137 3.7770 4.2874 8.7962 8.8480 10.1623 10.2150 11.4105 11.4688 13.4514 13.6297 13.9723 14.2700 17.3285 17.7002 18.8082 19.1166 19.4331 19.5454 21.8669 22.1168 22.9635 23.2694 k = 0.3426 0.5613 0.3739 ( 1354 PWs) bands (ev): -57.0160 -57.0160 -28.5878 -28.5570 -19.2265 -19.0841 -18.7854 -18.7375 -1.7177 -1.7129 3.7794 4.2922 8.7908 8.8428 10.1624 10.2152 11.4077 11.4662 13.5314 13.6994 13.8904 14.2003 17.3410 17.7203 18.8307 19.1694 19.3742 19.4634 21.8656 22.1166 22.9749 23.2825 k = 0.3380 0.5693 0.3739 ( 1354 PWs) bands (ev): -57.0159 -57.0159 -28.5879 -28.5571 -19.2268 -19.0838 -18.7862 -18.7379 -1.7173 -1.7125 3.7809 4.2951 8.7875 8.8396 10.1627 10.2154 11.4059 11.4645 13.6076 13.7537 13.8131 14.1460 17.3484 17.7320 18.8511 19.2323 19.3322 19.3831 21.8649 22.1166 22.9817 23.2904 k = 0.3333 0.5774 0.3739 ( 1362 PWs) bands (ev): -57.0159 -57.0159 -28.5880 -28.5572 -19.2270 -19.0837 -18.7865 -18.7381 -1.7171 -1.7124 3.7814 4.2961 8.7863 8.8384 10.1628 10.2155 11.4053 11.4639 13.6529 13.7674 13.7757 14.1239 17.3509 17.7358 18.8600 19.3014 19.3083 19.3163 21.8647 22.1166 22.9840 23.2930 k = 0.3333 0.5774 0.3739 ( 1362 PWs) bands (ev): -57.0159 -57.0159 -28.5880 -28.5572 -19.2270 -19.0837 -18.7865 -18.7381 -1.7171 -1.7124 3.7814 4.2961 8.7863 8.8384 10.1628 10.2155 11.4053 11.4639 13.6529 13.7674 13.7757 14.1239 17.3509 17.7358 18.8600 19.3014 19.3083 19.3163 21.8647 22.1166 22.9840 23.2930 k = 0.3287 0.5693 0.3739 ( 1358 PWs) bands (ev): -57.0159 -57.0159 -28.5880 -28.5572 -19.2268 -19.0838 -18.7863 -18.7379 -1.7173 -1.7125 3.7809 4.2951 8.7875 8.8396 10.1626 10.2154 11.4060 11.4645 13.6073 13.7534 13.8134 14.1463 17.3484 17.7322 18.8498 19.2291 19.3333 19.3861 21.8649 22.1165 22.9818 23.2904 k = 0.3241 0.5613 0.3739 ( 1358 PWs) bands (ev): -57.0160 -57.0160 -28.5878 -28.5571 -19.2264 -19.0840 -18.7855 -18.7375 -1.7177 -1.7130 3.7793 4.2922 8.7911 8.8431 10.1621 10.2149 11.4081 11.4665 13.5301 13.6978 13.8918 14.2022 17.3411 17.7215 18.8216 19.1566 19.3814 19.4753 21.8653 22.1162 22.9752 23.2827 k = 0.3194 0.5533 0.3739 ( 1358 PWs) bands (ev): -57.0161 -57.0161 -28.5874 -28.5568 -19.2257 -19.0843 -18.7842 -18.7369 -1.7185 -1.7138 3.7766 4.2872 8.7972 8.8491 10.1612 10.2140 11.4117 11.4700 13.4484 13.6256 13.9755 14.2749 17.3289 17.7040 18.7823 19.0876 19.4533 19.5715 21.8660 22.1156 22.9646 23.2701 k = 0.3148 0.5453 0.3739 ( 1358 PWs) bands (ev): -57.0162 -57.0162 -28.5870 -28.5566 -19.2247 -19.0846 -18.7824 -18.7359 -1.7196 -1.7149 3.7728 4.2802 8.8060 8.8576 10.1599 10.2126 11.4168 11.4750 13.3660 13.5458 14.0608 14.3555 17.3117 17.6798 18.7389 19.0226 19.5413 19.6741 21.8668 22.1143 22.9500 23.2527 k = 0.3102 0.5373 0.3739 ( 1362 PWs) bands (ev): -57.0164 -57.0164 -28.5864 -28.5562 -19.2233 -19.0849 -18.7803 -18.7348 -1.7209 -1.7163 3.7678 4.2712 8.8174 8.8688 10.1580 10.2107 11.4236 11.4816 13.2840 13.4626 14.1466 14.4400 17.2897 17.6489 18.6961 18.9620 19.6405 19.7820 21.8676 22.1123 22.9317 23.2308 k = 0.3056 0.5292 0.3739 ( 1362 PWs) bands (ev): -57.0166 -57.0166 -28.5856 -28.5557 -19.2215 -19.0851 -18.7777 -18.7335 -1.7227 -1.7181 3.7615 4.2602 8.8315 8.8827 10.1557 10.2083 11.4320 11.4898 13.2028 13.3779 14.2322 14.5263 17.2627 17.6114 18.6569 18.9064 19.7475 19.8946 21.8682 22.1094 22.9100 23.2046 k = 0.3009 0.5212 0.3739 ( 1362 PWs) bands (ev): -57.0169 -57.0169 -28.5847 -28.5551 -19.2194 -19.0852 -18.7749 -18.7320 -1.7247 -1.7202 3.7541 4.2471 8.8484 8.8993 10.1530 10.2056 11.4419 11.4996 13.1229 13.2929 14.3173 14.6135 17.2308 17.5674 18.6229 18.8559 19.8601 20.0109 21.8686 22.1053 22.8853 23.1743 k = 0.2963 0.5132 0.3739 ( 1366 PWs) bands (ev): -57.0172 -57.0172 -28.5836 -28.5544 -19.2167 -19.0850 -18.7717 -18.7303 -1.7271 -1.7227 3.7454 4.2320 8.8682 8.9187 10.1499 10.2024 11.4534 11.5111 13.0446 13.2082 14.4016 14.7006 17.1939 17.5170 18.5951 18.8109 19.9763 20.1301 21.8687 22.0998 22.8579 23.1403 k = 0.2917 0.5052 0.3739 ( 1370 PWs) bands (ev): -57.0176 -57.0176 -28.5824 -28.5536 -19.2137 -19.0847 -18.7683 -18.7285 -1.7297 -1.7255 3.7355 4.2149 8.8908 8.9410 10.1466 10.1989 11.4664 11.5240 12.9680 13.1244 14.4846 14.7872 17.1523 17.4608 18.5739 18.7715 20.0950 20.2513 21.8683 22.0926 22.8281 23.1028 k = 0.2870 0.4972 0.3739 ( 1374 PWs) bands (ev): -57.0180 -57.0180 -28.5810 -28.5526 -19.2101 -19.0841 -18.7647 -18.7265 -1.7328 -1.7286 3.7242 4.1958 8.9163 8.9661 10.1431 10.1953 11.4807 11.5384 12.8934 13.0419 14.5661 14.8729 17.1060 17.3995 18.5592 18.7377 20.2148 20.3736 21.8673 22.0836 22.7965 23.0622 k = 0.2824 0.4891 0.3739 ( 1376 PWs) bands (ev): -57.0185 -57.0185 -28.5795 -28.5516 -19.2061 -19.0831 -18.7609 -18.7244 -1.7361 -1.7321 3.7117 4.1747 8.9447 8.9941 10.1396 10.1916 11.4963 11.5543 12.8210 12.9610 14.6457 14.9570 17.0555 17.3337 18.5508 18.7096 20.3346 20.4961 21.8657 22.0723 22.7634 23.0188 k = 0.2778 0.4811 0.3739 ( 1374 PWs) bands (ev): -57.0190 -57.0190 -28.5777 -28.5503 -19.2015 -19.0818 -18.7569 -18.7222 -1.7397 -1.7359 3.6978 4.1517 8.9759 9.0250 10.1361 10.1879 11.5131 11.5714 12.7510 12.8819 14.7229 15.0394 17.0012 17.2643 18.5483 18.6869 20.4534 20.6178 21.8634 22.0586 22.7293 22.9729 k = 0.2731 0.4731 0.3739 ( 1382 PWs) bands (ev): -57.0195 -57.0195 -28.5759 -28.5490 -19.1964 -19.0801 -18.7529 -18.7200 -1.7437 -1.7400 3.6825 4.1267 9.0100 9.0587 10.1329 10.1844 11.5309 11.5898 12.6837 12.8050 14.7974 15.1193 16.9434 17.1921 18.5511 18.6694 20.5700 20.7376 21.8602 22.0421 22.6946 22.9249 k = 0.2685 0.4651 0.3739 ( 1382 PWs) bands (ev): -57.0202 -57.0202 -28.5738 -28.5476 -19.1908 -19.0780 -18.7487 -18.7176 -1.7479 -1.7444 3.6659 4.0997 9.0470 9.0952 10.1300 10.1812 11.5496 11.6092 12.6191 12.7304 14.8688 15.1964 16.8828 17.1180 18.5589 18.6568 20.6834 20.8543 21.8561 22.0226 22.6598 22.8751 k = 0.2639 0.4571 0.3739 ( 1382 PWs) bands (ev): -57.0208 -57.0208 -28.5716 -28.5460 -19.1846 -19.0754 -18.7444 -18.7152 -1.7524 -1.7491 3.6479 4.0709 9.0868 9.1346 10.1277 10.1785 11.5690 11.6296 12.5576 12.6584 14.9365 15.2700 16.8201 17.0426 18.5711 18.6489 20.7925 20.9668 21.8511 21.9998 22.6253 22.8239 k = 0.2593 0.4491 0.3739 ( 1378 PWs) bands (ev): -57.0215 -57.0215 -28.5692 -28.5442 -19.1778 -19.0723 -18.7401 -18.7128 -1.7573 -1.7541 3.6285 4.0402 9.1294 9.1768 10.1260 10.1765 11.5889 11.6508 12.4993 12.5891 15.0000 15.3395 16.7560 16.9667 18.5874 18.6455 20.8963 21.0736 21.8452 21.9734 22.5915 22.7718 k = 0.2546 0.4410 0.3739 ( 1374 PWs) bands (ev): -57.0223 -57.0223 -28.5667 -28.5423 -19.1705 -19.0687 -18.7358 -18.7103 -1.7624 -1.7594 3.6076 4.0076 9.1748 9.2218 10.1251 10.1752 11.6092 11.6728 12.4444 12.5227 15.0587 15.4041 16.6912 16.8911 18.6076 18.6462 20.9937 21.1735 21.8384 21.9435 22.5585 22.7190 k = 0.2500 0.4330 0.3739 ( 1374 PWs) bands (ev): -57.0231 -57.0231 -28.5640 -28.5403 -19.1626 -19.0646 -18.7315 -18.7078 -1.7677 -1.7649 3.5854 3.9732 9.2228 9.2695 10.1251 10.1748 11.6297 11.6953 12.3930 12.4594 15.1121 15.4629 16.6267 16.8162 18.6312 18.6508 21.0837 21.2649 21.8307 21.9099 22.5266 22.6660 k = 0.2454 0.4250 0.3739 ( 1374 PWs) bands (ev): -57.0239 -57.0239 -28.5611 -28.5382 -19.1542 -19.0601 -18.7272 -18.7053 -1.7734 -1.7707 3.5616 3.9370 9.2735 9.3198 10.1262 10.1754 11.6503 11.7184 12.3454 12.3994 15.1593 15.5147 16.5634 16.7428 18.6582 18.6593 21.1655 21.3463 21.8225 21.8729 22.4958 22.6132 k = 0.2407 0.4170 0.3739 ( 1376 PWs) bands (ev): -57.0248 -57.0248 -28.5581 -28.5359 -19.1452 -19.0550 -18.7229 -18.7028 -1.7792 -1.7768 3.5365 3.8991 9.3268 9.3727 10.1285 10.1772 11.6705 11.7417 12.3018 12.3427 15.1998 15.5583 16.5025 16.6714 18.6715 18.6885 21.2383 21.4161 21.8141 21.8326 22.4659 22.5610 k = 0.2361 0.4090 0.3739 ( 1376 PWs) bands (ev): -57.0258 -57.0258 -28.5550 -28.5335 -19.1357 -19.0493 -18.7186 -18.7003 -1.7853 -1.7830 3.5098 3.8595 9.3826 9.4282 10.1320 10.1804 11.6904 11.7653 12.2624 12.2897 15.2328 15.5921 16.4453 16.6026 18.6874 18.7219 21.3016 21.4728 21.7894 21.8060 22.4368 22.5097 k = 0.2315 0.4009 0.3739 ( 1380 PWs) bands (ev): -57.0268 -57.0268 -28.5517 -28.5309 -19.1256 -19.0432 -18.7144 -18.6978 -1.7916 -1.7895 3.4818 3.8182 9.4408 9.4861 10.1370 10.1849 11.7095 11.7889 12.2274 12.2403 15.2576 15.6145 16.3933 16.5369 18.7071 18.7584 21.3549 21.5149 21.7439 21.7988 22.4081 22.4598 k = 0.2269 0.3929 0.3739 ( 1376 PWs) bands (ev): -57.0278 -57.0278 -28.5483 -28.5283 -19.1150 -19.0364 -18.7103 -18.6953 -1.7981 -1.7962 3.4522 3.7753 9.5013 9.5463 10.1436 10.1911 11.7278 11.8123 12.1950 12.1971 15.2737 15.6241 16.3475 16.4747 18.7306 18.7980 21.3979 21.5417 21.6968 21.7928 22.3796 22.4114 k = 0.2222 0.3849 0.3739 ( 1376 PWs) bands (ev): -57.0289 -57.0289 -28.5447 -28.5255 -19.1038 -19.0292 -18.7062 -18.6929 -1.8049 -1.8031 3.4213 3.7309 9.5641 9.6089 10.1517 10.1989 11.7448 11.8354 12.1538 12.1716 15.2804 15.6199 16.3088 16.4164 18.7581 18.8408 21.4297 21.5535 21.6498 21.7876 22.3509 22.3648 k = 0.2176 0.3769 0.3739 ( 1376 PWs) bands (ev): -57.0300 -57.0300 -28.5410 -28.5225 -19.0922 -19.0214 -18.7022 -18.6905 -1.8117 -1.8102 3.3888 3.6850 9.6289 9.6736 10.1617 10.2086 11.7605 11.8578 12.1170 12.1512 15.2777 15.6018 16.2769 16.3619 18.7897 18.8867 21.4482 21.5520 21.6058 21.7821 22.3200 22.3216 k = 0.2130 0.3689 0.3739 ( 1378 PWs) bands (ev): -57.0312 -57.0312 -28.5372 -28.5195 -19.0800 -19.0131 -18.6983 -18.6881 -1.8188 -1.8174 3.3550 3.6376 9.6956 9.7402 10.1734 10.2202 11.7746 11.8790 12.0853 12.1359 15.2655 15.5710 16.2505 16.3111 18.8255 18.9358 21.4477 21.5398 21.5719 21.7745 22.2772 22.2915 k = 0.2083 0.3608 0.3739 ( 1370 PWs) bands (ev): -57.0324 -57.0324 -28.5332 -28.5163 -19.0674 -19.0043 -18.6944 -18.6857 -1.8260 -1.8248 3.3198 3.5889 9.7641 9.8088 10.1873 10.2339 11.7873 11.8981 12.0594 12.1258 15.2442 15.5292 16.2277 16.2635 18.8657 18.9881 21.4226 21.5191 21.5548 21.7635 22.2363 22.2604 k = 0.2037 0.3528 0.3739 ( 1370 PWs) bands (ev): -57.0336 -57.0336 -28.5292 -28.5131 -19.0543 -18.9950 -18.6905 -18.6834 -1.8333 -1.8323 3.2832 3.5389 9.8340 9.8789 10.2033 10.2500 11.7985 11.9135 12.0410 12.1206 15.2144 15.4786 16.2061 16.2184 18.9103 19.0437 21.3793 21.4921 21.5493 21.7483 22.1973 22.2283 k = 0.1991 0.3448 0.3739 ( 1370 PWs) bands (ev): -57.0349 -57.0349 -28.5251 -28.5097 -19.0408 -18.9853 -18.6868 -18.6810 -1.8408 -1.8399 3.2453 3.4877 9.9051 9.9502 10.2218 10.2687 11.8087 11.9229 12.0323 12.1200 15.1770 15.4214 16.1749 16.1838 18.9594 19.1025 21.3277 21.4602 21.5468 21.7287 22.1605 22.1952 k = 0.1944 0.3368 0.3739 ( 1374 PWs) bands (ev): -57.0362 -57.0362 -28.5209 -28.5063 -19.0270 -18.9751 -18.6831 -18.6788 -1.8484 -1.8476 3.2061 3.4353 9.9768 10.0223 10.2432 10.2904 11.8182 11.9252 12.0344 12.1234 15.1331 15.3593 16.1322 16.1590 19.0130 19.1645 21.2724 21.4245 21.5438 21.7047 22.1261 22.1611 k = 0.1898 0.3288 0.3739 ( 1378 PWs) bands (ev): -57.0375 -57.0375 -28.5166 -28.5027 -19.0127 -18.9646 -18.6795 -18.6765 -1.8560 -1.8554 3.1657 3.3819 10.0485 10.0942 10.2685 10.3158 11.8278 11.9227 12.0450 12.1301 15.0836 15.2937 16.0893 16.1306 19.0711 19.2297 21.2154 21.3859 21.5394 21.6764 22.0943 22.1262 k = 0.1852 0.3208 0.3739 ( 1382 PWs) bands (ev): -57.0388 -57.0388 -28.5122 -28.4991 -18.9982 -18.9537 -18.6760 -18.6742 -1.8638 -1.8633 3.1240 3.3276 10.1190 10.1638 10.2995 10.3458 11.8379 11.9188 12.0606 12.1396 15.0296 15.2257 16.0454 16.0980 19.1334 19.2980 21.1575 21.3450 21.5334 21.6440 22.0656 22.0907 k = 0.1806 0.3127 0.3739 ( 1386 PWs) bands (ev): -57.0402 -57.0402 -28.5078 -28.4955 -18.9834 -18.9424 -18.6724 -18.6720 -1.8716 -1.8712 3.0813 3.2723 10.1865 10.2271 10.3401 10.3821 11.8492 11.9160 12.0785 12.1512 14.9719 15.1560 16.0001 16.0607 19.1999 19.3693 21.0994 21.3024 21.5260 21.6076 22.0402 22.0550 k = 0.1759 0.3047 0.3739 ( 1386 PWs) bands (ev): -57.0416 -57.0416 -28.5033 -28.4917 -18.9683 -18.9308 -18.6696 -18.6689 -1.8794 -1.8792 3.0375 3.2164 10.2489 10.2797 10.3947 10.4269 11.8619 11.9157 12.0975 12.1645 14.9114 15.0853 15.9527 16.0187 19.2702 19.4435 21.0414 21.2587 21.5172 21.5675 22.0184 22.0195 k = 0.1713 0.2967 0.3739 ( 1384 PWs) bands (ev): -57.0430 -57.0430 -28.4988 -28.4878 -18.9530 -18.9189 -18.6673 -18.6654 -1.8873 -1.8871 2.9927 3.1598 10.3044 10.3225 10.4621 10.4817 11.8766 11.9184 12.1169 12.1790 14.8488 15.0140 15.9031 15.9721 19.3442 19.5204 20.9838 21.2142 21.5069 21.5240 21.9848 22.0001 k = 0.1667 0.2887 0.3739 ( 1384 PWs) bands (ev): -57.0445 -57.0445 -28.4942 -28.4840 -18.9376 -18.9068 -18.6649 -18.6618 -1.8952 -1.8951 2.9470 3.1026 10.3532 10.3604 10.5373 10.5461 11.8933 11.9244 12.1364 12.1943 14.7847 14.9423 15.8512 15.9212 19.4214 19.5999 20.9267 21.1693 21.4775 21.4947 21.9513 21.9853 k = 0.1620 0.2807 0.3739 ( 1384 PWs) bands (ev): -57.0459 -57.0459 -28.4896 -28.4800 -18.9222 -18.8945 -18.6624 -18.6582 -1.9031 -1.9031 2.9006 3.0450 10.3971 10.3972 10.6164 10.6179 11.9124 11.9338 12.1557 12.2101 14.7195 14.8707 15.7971 15.8664 19.5015 19.6816 20.8703 21.1245 21.4282 21.4804 21.9200 21.9738 k = 0.1574 0.2726 0.3739 ( 1384 PWs) bands (ev): -57.0473 -57.0473 -28.4849 -28.4761 -18.9067 -18.8822 -18.6598 -18.6546 -1.9110 -1.9109 2.8534 2.9871 10.4339 10.4389 10.6947 10.6979 11.9338 11.9467 12.1746 12.2264 14.6536 14.7993 15.7407 15.8081 19.5842 19.7654 20.8149 21.0799 21.3765 21.4632 21.8916 21.9654 k = 0.1528 0.2646 0.3739 ( 1386 PWs) bands (ev): -57.0488 -57.0488 -28.4803 -28.4721 -18.8912 -18.8698 -18.6570 -18.6508 -1.9190 -1.9188 2.8056 2.9289 10.4718 10.4798 10.7747 10.7806 11.9576 11.9629 12.1933 12.2429 14.5874 14.7282 15.6824 15.7470 19.6691 19.8510 20.7606 21.0358 21.3229 21.4425 21.8671 21.9599 k = 0.1481 0.2566 0.3739 ( 1392 PWs) bands (ev): -57.0503 -57.0503 -28.4757 -28.4681 -18.8760 -18.8575 -18.6541 -18.6469 -1.9268 -1.9266 2.7572 2.8707 10.5109 10.5207 10.8566 10.8642 11.9825 11.9838 12.2115 12.2596 14.5211 14.6576 15.6225 15.6834 19.7557 19.9382 20.7074 20.9927 21.2676 21.4177 21.8470 21.9570 k = 0.1435 0.2486 0.3739 ( 1396 PWs) bands (ev): -57.0517 -57.0517 -28.4711 -28.4641 -18.8609 -18.8452 -18.6509 -18.6428 -1.9346 -1.9343 2.7085 2.8126 10.5515 10.5624 10.9397 10.9480 12.0053 12.0122 12.2293 12.2764 14.4551 14.5876 15.5612 15.6179 19.8435 20.0266 20.6556 20.9507 21.2110 21.3886 21.8319 21.9564 k = 0.1389 0.2406 0.3739 ( 1400 PWs) bands (ev): -57.0532 -57.0532 -28.4666 -28.4601 -18.8462 -18.8332 -18.6474 -18.6385 -1.9423 -1.9420 2.6595 2.7546 10.5935 10.6050 11.0234 11.0320 12.0311 12.0427 12.2468 12.2934 14.3895 14.5184 15.4989 15.5511 19.9319 20.1159 20.6053 20.9103 21.1534 21.3551 21.8217 21.9579 k = 0.1343 0.2325 0.3739 ( 1400 PWs) bands (ev): -57.0546 -57.0546 -28.4620 -28.4561 -18.8319 -18.8214 -18.6435 -18.6339 -1.9499 -1.9496 2.6104 2.6969 10.6370 10.6487 11.1074 11.1158 12.0597 12.0752 12.2640 12.3106 14.3245 14.4500 15.4359 15.4835 20.0203 20.2057 20.5566 20.8719 21.0952 21.3177 21.8164 21.9612 k = 0.1296 0.2245 0.3739 ( 1400 PWs) bands (ev): -57.0560 -57.0560 -28.4575 -28.4522 -18.8182 -18.8100 -18.6392 -18.6289 -1.9574 -1.9571 2.5612 2.6396 10.6819 10.6936 11.1912 11.1990 12.0908 12.1092 12.2810 12.3282 14.2603 14.3825 15.3726 15.4155 20.1076 20.2951 20.5102 20.8362 21.0366 21.2770 21.8154 21.9662 k = 0.1250 0.2165 0.3739 ( 1400 PWs) bands (ev): -57.0575 -57.0575 -28.4531 -28.4482 -18.8051 -18.7991 -18.6343 -18.6235 -1.9648 -1.9644 2.5122 2.5829 10.7282 10.7396 11.2745 11.2816 12.1241 12.1443 12.2981 12.3464 14.1971 14.3160 15.3093 15.3475 20.1924 20.3811 20.4686 20.8041 20.9784 21.2339 21.8181 21.9725 k = 0.1204 0.2085 0.3739 ( 1404 PWs) bands (ev): -57.0589 -57.0589 -28.4487 -28.4443 -18.7928 -18.7888 -18.6288 -18.6176 -1.9720 -1.9716 2.4633 2.5269 10.7757 10.7867 11.3571 11.3632 12.1591 12.1801 12.3155 12.3657 14.1349 14.2506 15.2464 15.2800 20.2722 20.4099 20.4849 20.7772 20.9215 21.1894 21.8240 21.9800 k = 0.1157 0.2005 0.3739 ( 1400 PWs) bands (ev): -57.0602 -57.0602 -28.4444 -28.4405 -18.7814 -18.7790 -18.6226 -18.6113 -1.9791 -1.9787 2.4148 2.4716 10.8244 10.8349 11.4387 11.4435 12.1949 12.2155 12.3339 12.3866 14.0739 14.1864 15.1841 15.2134 20.3429 20.3730 20.5666 20.7569 20.8686 21.1451 21.8325 21.9884 k = 0.1111 0.1925 0.3739 ( 1400 PWs) bands (ev): -57.0616 -57.0616 -28.4402 -28.4367 -18.7710 -18.7700 -18.6157 -18.6044 -1.9860 -1.9856 2.3668 2.4174 10.8741 10.8840 11.5189 11.5224 12.2305 12.2497 12.3542 12.4101 14.0144 14.1234 15.1228 15.1479 20.3339 20.3983 20.6479 20.7398 20.8293 21.1035 21.8431 21.9977 k = 0.1065 0.1844 0.3739 ( 1396 PWs) bands (ev): -57.0629 -57.0629 -28.4361 -28.4329 -18.7617 -18.7616 -18.6081 -18.5970 -1.9927 -1.9924 2.3194 2.3642 10.9247 10.9340 11.5977 11.5996 12.2640 12.2814 12.3778 12.4371 13.9563 14.0618 15.0626 15.0840 20.2961 20.4321 20.7090 20.7208 20.8270 21.0694 21.8555 22.0076 k = 0.1019 0.1764 0.3739 ( 1392 PWs) bands (ev): -57.0642 -57.0642 -28.4320 -28.4293 -18.7542 -18.7533 -18.5997 -18.5891 -1.9992 -1.9989 2.2728 2.3121 10.9760 10.9846 11.6746 11.6748 12.2935 12.3096 12.4066 12.4683 13.8998 14.0017 15.0038 15.0217 20.2603 20.4430 20.6626 20.7742 20.8647 21.0535 21.8693 22.0179 k = 0.0972 0.1684 0.3739 ( 1396 PWs) bands (ev): -57.0655 -57.0655 -28.4282 -28.4257 -18.7475 -18.7461 -18.5907 -18.5807 -2.0056 -2.0053 2.2271 2.2615 11.0278 11.0357 11.7477 11.7494 12.3180 12.3341 12.4414 12.5039 13.8452 13.9432 14.9467 14.9614 20.2264 20.4365 20.6122 20.7933 20.9255 21.0708 21.8841 22.0286 k = 0.0926 0.1604 0.3739 ( 1396 PWs) bands (ev): -57.0667 -57.0667 -28.4244 -28.4223 -18.7415 -18.7398 -18.5812 -18.5720 -2.0117 -2.0114 2.1824 2.2122 11.0801 11.0871 11.8182 11.8219 12.3378 12.3549 12.4814 12.5433 13.7924 13.8864 14.8914 14.9032 20.1946 20.4188 20.5626 20.7784 20.9983 21.1209 21.8998 22.0394 k = 0.0880 0.1524 0.3739 ( 1400 PWs) bands (ev): -57.0679 -57.0679 -28.4208 -28.4189 -18.7362 -18.7344 -18.5713 -18.5629 -2.0176 -2.0173 2.1389 2.1645 11.1324 11.1387 11.8860 11.8919 12.3541 12.3729 12.5252 12.5857 13.7417 13.8315 14.8380 14.8473 20.1649 20.3937 20.5162 20.7445 21.0769 21.1888 21.9161 22.0503 k = 0.0833 0.1443 0.3739 ( 1404 PWs) bands (ev): -57.0691 -57.0691 -28.4173 -28.4157 -18.7316 -18.7298 -18.5610 -18.5536 -2.0233 -2.0230 2.0966 2.1185 11.1847 11.1903 11.9509 11.9590 12.3680 12.3886 12.5714 12.6299 13.6933 13.7785 14.7867 14.7939 20.1373 20.3629 20.4746 20.7026 21.1580 21.2636 21.9329 22.0612 k = 0.0787 0.1363 0.3739 ( 1400 PWs) bands (ev): -57.0702 -57.0702 -28.4139 -28.4126 -18.7275 -18.7258 -18.5507 -18.5442 -2.0287 -2.0285 2.0558 2.0743 11.2367 11.2415 12.0127 12.0232 12.3803 12.4026 12.6190 12.6753 13.6472 13.7278 14.7376 14.7429 20.1120 20.3273 20.4388 20.6576 21.2398 21.3404 21.9500 22.0719 k = 0.0741 0.1283 0.3739 ( 1400 PWs) bands (ev): -57.0712 -57.0712 -28.4107 -28.4096 -18.7240 -18.7225 -18.5403 -18.5347 -2.0338 -2.0337 2.0166 2.0320 11.2882 11.2922 12.0711 12.0841 12.3914 12.4154 12.6671 12.7210 13.6037 13.6794 14.6908 14.6946 20.0887 20.2884 20.4083 20.6118 21.3208 21.4167 21.9672 22.0824 k = 0.0694 0.1203 0.3739 ( 1396 PWs) bands (ev): -57.0722 -57.0722 -28.4076 -28.4067 -18.7210 -18.7196 -18.5300 -18.5253 -2.0387 -2.0386 1.9790 1.9918 11.3388 11.3422 12.1259 12.1415 12.4017 12.4273 12.7150 12.7662 13.5629 13.6335 14.6464 14.6490 20.0675 20.2480 20.3823 20.5664 21.4003 21.4914 21.9846 22.0926 k = 0.0648 0.1123 0.3739 ( 1392 PWs) bands (ev): -57.0732 -57.0732 -28.4048 -28.4040 -18.7184 -18.7172 -18.5200 -18.5161 -2.0434 -2.0432 1.9432 1.9536 11.3883 11.3911 12.1771 12.1953 12.4113 12.4384 12.7621 12.8105 13.5251 13.5904 14.6044 14.6061 20.0483 20.2076 20.3596 20.5223 21.4776 21.5635 22.0020 22.1025 k = 0.0602 0.1042 0.3739 ( 1392 PWs) bands (ev): -57.0741 -57.0741 -28.4021 -28.4014 -18.7162 -18.7152 -18.5103 -18.5072 -2.0477 -2.0476 1.9093 1.9177 11.4364 11.4386 12.2245 12.2452 12.4204 12.4488 12.8080 12.8532 13.4905 13.5502 14.5650 14.5659 20.0310 20.1685 20.3394 20.4799 21.5521 21.6323 22.0195 22.1121 k = 0.0556 0.0962 0.3739 ( 1388 PWs) bands (ev): -57.0749 -57.0749 -28.3995 -28.3990 -18.7142 -18.7134 -18.5011 -18.4985 -2.0518 -2.0517 1.8774 1.8840 11.4828 11.4845 12.2679 12.2910 12.4291 12.4589 12.8520 12.8936 13.4594 13.5132 14.5281 14.5285 20.0154 20.1313 20.3214 20.4399 21.6233 21.6973 22.0371 22.1213 k = 0.0509 0.0882 0.3739 ( 1392 PWs) bands (ev): -57.0757 -57.0757 -28.3972 -28.3968 -18.7126 -18.7120 -18.4923 -18.4903 -2.0555 -2.0554 1.8477 1.8528 11.5271 11.5284 12.3072 12.3326 12.4376 12.4685 12.8935 12.9311 13.4321 13.4797 14.4939 14.4939 20.0013 20.0965 20.3052 20.4026 21.6906 21.7577 22.0548 22.1302 k = 0.0463 0.0802 0.3739 ( 1392 PWs) bands (ev): -57.0764 -57.0764 -28.3951 -28.3948 -18.7112 -18.7107 -18.4841 -18.4826 -2.0590 -2.0589 1.8201 1.8240 11.5691 11.5699 12.3424 12.3697 12.4462 12.4777 12.9320 12.9652 13.4088 13.4499 14.4621 14.4623 19.9887 20.0646 20.2906 20.3682 21.7535 21.8130 22.0727 22.1388 k = 0.0417 0.0722 0.3739 ( 1392 PWs) bands (ev): -57.0771 -57.0771 -28.3931 -28.3929 -18.7100 -18.7097 -18.4766 -18.4755 -2.0621 -2.0621 1.7949 1.7977 11.6083 11.6089 12.3736 12.4019 12.4550 12.4867 12.9669 12.9951 13.3899 13.4243 14.4332 14.4335 19.9773 20.0356 20.2775 20.3372 21.8116 21.8627 22.0911 22.1473 k = 0.0370 0.0642 0.3739 ( 1388 PWs) bands (ev): -57.0776 -57.0776 -28.3913 -28.3912 -18.7090 -18.7088 -18.4697 -18.4689 -2.0649 -2.0649 1.7721 1.7741 11.6444 11.6448 12.4007 12.4285 12.4651 12.4953 12.9975 13.0204 13.3756 13.4030 14.4071 14.4075 19.9669 20.0098 20.2657 20.3097 21.8642 21.9062 22.1100 22.1559 k = 0.0324 0.0561 0.3739 ( 1396 PWs) bands (ev): -57.0782 -57.0782 -28.3898 -28.3897 -18.7082 -18.7081 -18.4636 -18.4630 -2.0674 -2.0674 1.7517 1.7531 11.6772 11.6775 12.4237 12.4480 12.4777 12.5036 13.0232 13.0406 13.3658 13.3864 14.3839 14.3843 19.9573 19.9873 20.2553 20.2860 21.9107 21.9432 22.1294 22.1647 k = 0.0278 0.0481 0.3739 ( 1400 PWs) bands (ev): -57.0786 -57.0786 -28.3885 -28.3884 -18.7076 -18.7075 -18.4582 -18.4579 -2.0696 -2.0696 1.7339 1.7348 11.7064 11.7065 12.4428 12.4607 12.4926 12.5115 13.0438 13.0560 13.3602 13.3745 14.3637 14.3639 19.9485 19.9681 20.2460 20.2661 21.9506 21.9738 22.1489 22.1740 k = 0.0231 0.0401 0.3739 ( 1400 PWs) bands (ev): -57.0790 -57.0790 -28.3873 -28.3873 -18.7070 -18.7070 -18.4536 -18.4534 -2.0715 -2.0715 1.7187 1.7192 11.7315 11.7316 12.4582 12.4694 12.5071 12.5190 13.0593 13.0669 13.3582 13.3671 14.3464 14.3466 19.9405 19.9522 20.2380 20.2499 21.9835 21.9983 22.1679 22.1839 k = 0.0185 0.0321 0.3739 ( 1400 PWs) bands (ev): -57.0794 -57.0794 -28.3864 -28.3864 -18.7066 -18.7066 -18.4498 -18.4497 -2.0730 -2.0730 1.7062 1.7065 11.7525 11.7525 12.4700 12.4760 12.5194 12.5257 13.0701 13.0742 13.3585 13.3633 14.3322 14.3323 19.9334 19.9396 20.2311 20.2374 22.0092 22.0173 22.1855 22.1943 k = 0.0139 0.0241 0.3739 ( 1398 PWs) bands (ev): -57.0796 -57.0796 -28.3856 -28.3856 -18.7062 -18.7062 -18.4468 -18.4468 -2.0742 -2.0742 1.6964 1.6965 11.7690 11.7690 12.4787 12.4812 12.5288 12.5315 13.0769 13.0787 13.3601 13.3622 14.3210 14.3211 19.9274 19.9300 20.2255 20.2282 22.0279 22.0315 22.2006 22.2045 k = 0.0093 0.0160 0.3739 ( 1398 PWs) bands (ev): -57.0798 -57.0798 -28.3851 -28.3851 -18.7060 -18.7060 -18.4447 -18.4447 -2.0750 -2.0750 1.6894 1.6894 11.7809 11.7809 12.4844 12.4852 12.5352 12.5361 13.0809 13.0814 13.3620 13.3626 14.3130 14.3130 19.9227 19.9235 20.2213 20.2221 22.0403 22.0414 22.2122 22.2134 k = 0.0046 0.0080 0.3739 ( 1398 PWs) bands (ev): -57.0799 -57.0799 -28.3848 -28.3848 -18.7059 -18.7059 -18.4434 -18.4434 -2.0755 -2.0755 1.6852 1.6852 11.7882 11.7882 12.4876 12.4877 12.5389 12.5390 13.0828 13.0828 13.3633 13.3634 14.3082 14.3082 19.9197 19.9198 20.2186 20.2187 22.0472 22.0474 22.2196 22.2197 k = 0.0000 0.0000 0.3739 ( 1398 PWs) bands (ev): -57.0799 -57.0799 -28.3847 -28.3847 -18.7059 -18.7059 -18.4430 -18.4430 -2.0757 -2.0757 1.6838 1.6838 11.7906 11.7906 12.4886 12.4886 12.5401 12.5401 13.0833 13.0833 13.3638 13.3638 14.3066 14.3066 19.9186 19.9186 20.2177 20.2177 22.0494 22.0494 22.2220 22.2220 k = 0.5000 0.2887 0.3739 ( 1376 PWs) bands (ev): -57.0231 -57.0231 -28.5540 -28.5540 -19.1848 -19.1848 -18.6343 -18.6343 -1.7802 -1.7802 3.6678 3.6678 9.0812 9.0812 10.9832 10.9832 11.0885 11.0885 12.0333 12.0333 15.5879 15.5879 16.4345 16.4345 21.0025 21.0025 21.4763 21.4763 21.8572 21.8572 22.3306 22.3306 k = 0.5000 0.2887 0.3648 ( 1372 PWs) bands (ev): -57.0231 -57.0231 -28.5540 -28.5540 -19.1849 -19.1847 -18.6343 -18.6343 -1.7821 -1.7780 3.6664 3.6708 9.0748 9.0873 10.9837 10.9848 11.0404 11.1074 12.0018 12.0918 15.5846 15.5895 16.4303 16.4319 20.9872 21.0157 21.4574 21.4938 21.8501 21.8676 22.3225 22.3486 k = 0.5000 0.2887 0.3556 ( 1374 PWs) bands (ev): -57.0231 -57.0231 -28.5540 -28.5540 -19.1849 -19.1847 -18.6343 -18.6342 -1.7839 -1.7756 3.6664 3.6752 9.0684 9.0932 10.9703 10.9856 10.9887 11.0934 12.0019 12.1699 15.5795 15.5892 16.4193 16.4223 20.9704 21.0262 21.4384 21.5087 21.8465 21.8810 22.3249 22.3753 k = 0.5000 0.2887 0.3465 ( 1370 PWs) bands (ev): -57.0231 -57.0231 -28.5540 -28.5539 -19.1850 -19.1846 -18.6341 -18.6341 -1.7853 -1.7730 3.6679 3.6810 9.0619 9.0988 10.8850 10.9843 10.9951 11.0527 12.0318 12.2605 15.5728 15.5872 16.4017 16.4059 20.9526 21.0332 21.4205 21.5200 21.8468 21.8975 22.3384 22.4099 k = 0.5000 0.2887 0.3374 ( 1370 PWs) bands (ev): -57.0231 -57.0231 -28.5540 -28.5539 -19.1851 -19.1846 -18.6340 -18.6339 -1.7866 -1.7702 3.6709 3.6884 9.0554 9.1041 10.7894 10.9496 11.0039 11.0226 12.0846 12.3588 15.5645 15.5835 16.3775 16.3826 20.9341 21.0364 21.4044 21.5270 21.8511 21.9168 22.3631 22.4516 k = 0.5000 0.2887 0.3283 ( 1370 PWs) bands (ev): -57.0231 -57.0231 -28.5539 -28.5539 -19.1852 -19.1846 -18.6338 -18.6337 -1.7875 -1.7672 3.6755 3.6972 9.0489 9.1088 10.6866 10.8666 11.0152 11.0256 12.1529 12.4615 15.5547 15.5781 16.3472 16.3528 20.9152 21.0354 21.3905 21.5294 21.8595 21.9390 22.3983 22.4995 k = 0.5000 0.2887 0.3192 ( 1370 PWs) bands (ev): -57.0231 -57.0231 -28.5539 -28.5538 -19.1854 -19.1846 -18.6335 -18.6335 -1.7882 -1.7641 3.6815 3.7074 9.0424 9.1130 10.5788 10.7655 11.0290 11.0374 12.2308 12.5665 15.5436 15.5711 16.3110 16.3166 20.8961 21.0305 21.3786 21.5274 21.8721 21.9642 22.4433 22.5532 k = 0.5000 0.2887 0.3100 ( 1374 PWs) bands (ev): -57.0231 -57.0231 -28.5539 -28.5538 -19.1855 -19.1846 -18.6333 -18.6332 -1.7887 -1.7608 3.6891 3.7191 9.0360 9.1166 10.4675 10.6554 11.0453 11.0531 12.3143 12.6723 15.5312 15.5625 16.2692 16.2741 20.8769 21.0221 21.3684 21.5214 21.8888 21.9922 22.4967 22.6122 k = 0.5000 0.2887 0.3009 ( 1374 PWs) bands (ev): -57.0231 -57.0231 -28.5539 -28.5538 -19.1857 -19.1846 -18.6330 -18.6329 -1.7888 -1.7575 3.6981 3.7322 9.0297 9.1193 10.3537 10.5399 11.0640 11.0718 12.4009 12.7778 15.5179 15.5524 16.2223 16.2258 20.8578 21.0110 21.3590 21.5122 21.9094 22.0229 22.5574 22.6761 k = 0.5000 0.2887 0.2918 ( 1376 PWs) bands (ev): -57.0231 -57.0231 -28.5539 -28.5537 -19.1858 -19.1847 -18.6326 -18.6325 -1.7887 -1.7540 3.7088 3.7467 9.0234 9.1210 10.2381 10.4211 11.0853 11.0932 12.4888 12.8825 15.5036 15.5408 16.1707 16.1719 20.8387 20.9979 21.3498 21.5003 21.9335 22.0558 22.6244 22.7446 k = 0.5000 0.2887 0.2827 ( 1376 PWs) bands (ev): -57.0231 -57.0231 -28.5538 -28.5537 -19.1860 -19.1847 -18.6322 -18.6321 -1.7884 -1.7505 3.7209 3.7627 9.0173 9.1215 10.1213 10.3006 11.1090 11.1172 12.5771 12.9856 15.4886 15.5276 16.1128 16.1151 20.8197 20.9835 21.3403 21.4863 21.9608 22.0906 22.6966 22.8173 k = 0.5000 0.2887 0.2736 ( 1376 PWs) bands (ev): -57.0231 -57.0231 -28.5538 -28.5536 -19.1861 -19.1848 -18.6318 -18.6317 -1.7878 -1.7470 3.7347 3.7800 9.0111 9.1204 10.0039 10.1794 11.1351 11.1438 12.6649 13.0868 15.4731 15.5128 16.0487 16.0559 20.8009 20.9683 21.3299 21.4708 21.9907 22.1270 22.7733 22.8940 k = 0.5000 0.2887 0.2645 ( 1380 PWs) bands (ev): -57.0231 -57.0231 -28.5538 -28.5536 -19.1863 -19.1849 -18.6314 -18.6312 -1.7869 -1.7434 3.7499 3.7988 9.0048 9.1175 9.8864 10.0587 11.1637 11.1728 12.7517 13.1856 15.4573 15.4960 15.9801 15.9941 20.7822 20.9529 21.3185 21.4541 22.0227 22.1645 22.8538 22.9741 k = 0.5000 0.2887 0.2553 ( 1388 PWs) bands (ev): -57.0231 -57.0231 -28.5538 -28.5536 -19.1865 -19.1850 -18.6309 -18.6308 -1.7859 -1.7399 3.7667 3.8189 8.9984 9.1120 9.7691 9.9396 11.1946 11.2042 12.8371 13.2819 15.4414 15.4770 15.9073 15.9304 20.7638 20.9373 21.3060 21.4366 22.0566 22.2027 22.9375 23.0574 k = 0.5000 0.2887 0.2462 ( 1388 PWs) bands (ev): -57.0232 -57.0232 -28.5537 -28.5535 -19.1866 -19.1851 -18.6304 -18.6303 -1.7845 -1.7363 3.7851 3.8404 8.9915 9.1031 9.6528 9.8233 11.2279 11.2381 12.9209 13.3754 15.4255 15.4549 15.8307 15.8663 20.7456 20.9220 21.2923 21.4186 22.0918 22.2414 23.0242 23.1432 k = 0.5000 0.2887 0.2371 ( 1384 PWs) bands (ev): -57.0232 -57.0232 -28.5536 -28.5534 -19.1868 -19.1852 -18.6299 -18.6297 -1.7830 -1.7328 3.8049 3.8632 8.9837 9.0893 9.5381 9.7117 11.2636 11.2743 13.0028 13.4657 15.4098 15.4287 15.7507 15.8032 20.7276 20.9069 21.2777 21.4002 22.1280 22.2803 23.1132 23.2312 k = 0.5000 0.2887 0.2280 ( 1384 PWs) bands (ev): -57.0232 -57.0232 -28.5536 -28.5534 -19.1869 -19.1853 -18.6293 -18.6292 -1.7812 -1.7295 3.8263 3.8873 8.9741 9.0685 9.4261 9.6072 11.3015 11.3129 13.0826 13.5527 15.3944 15.3967 15.6675 15.7432 20.7100 20.8920 21.2623 21.3817 22.1650 22.3191 23.2042 23.3206 k = 0.5000 0.2887 0.2189 ( 1384 PWs) bands (ev): -57.0232 -57.0232 -28.5535 -28.5533 -19.1871 -19.1854 -18.6288 -18.6286 -1.7793 -1.7262 3.8492 3.9126 8.9610 9.0375 9.3189 9.5132 11.3417 11.3538 13.1603 13.6363 15.3571 15.3796 15.5817 15.6886 20.6926 20.8774 21.2461 21.3632 22.2025 22.3577 23.2968 23.4110 k = 0.5000 0.2887 0.2097 ( 1382 PWs) bands (ev): -57.0232 -57.0232 -28.5534 -28.5532 -19.1873 -19.1856 -18.6282 -18.6280 -1.7771 -1.7230 3.8735 3.9391 8.9405 8.9928 9.2207 9.4336 11.3841 11.3969 13.2356 13.7162 15.3084 15.3654 15.4935 15.6413 20.6756 20.8630 21.2295 21.3448 22.2404 22.3959 23.3905 23.5019 k = 0.5000 0.2887 0.2006 ( 1382 PWs) bands (ev): -57.0232 -57.0232 -28.5534 -28.5532 -19.1874 -19.1857 -18.6276 -18.6274 -1.7748 -1.7199 3.8992 3.9667 8.9047 8.9318 9.1395 9.3712 11.4286 11.4421 13.3086 13.7923 15.2502 15.3517 15.4037 15.6023 20.6591 20.8486 21.2126 21.3266 22.2784 22.4337 23.4848 23.5928 k = 0.5000 0.2887 0.1915 ( 1382 PWs) bands (ev): -57.0232 -57.0232 -28.5533 -28.5531 -19.1876 -19.1859 -18.6270 -18.6268 -1.7724 -1.7171 3.9262 3.9953 8.8449 8.8556 9.0843 9.3252 11.4753 11.4896 13.3791 13.8644 15.1834 15.3090 15.3419 15.5708 20.6430 20.8343 21.1957 21.3087 22.3165 22.4708 23.5792 23.6832 k = 0.5000 0.2887 0.1824 ( 1382 PWs) bands (ev): -57.0232 -57.0232 -28.5532 -28.5530 -19.1878 -19.1860 -18.6264 -18.6262 -1.7697 -1.7144 3.9545 4.0249 8.7631 8.7679 9.0532 9.2922 11.5239 11.5390 13.4471 13.9324 15.1098 15.2165 15.3297 15.5456 20.6274 20.8199 21.1790 21.2911 22.3545 22.5072 23.6733 23.7727 k = 0.5000 0.2887 0.1733 ( 1376 PWs) bands (ev): -57.0232 -57.0232 -28.5531 -28.5529 -19.1879 -19.1862 -18.6258 -18.6256 -1.7670 -1.7119 3.9839 4.0552 8.6696 8.6731 9.0365 9.2680 11.5746 11.5905 13.5123 13.9961 15.0313 15.1219 15.3196 15.5251 20.6124 20.8053 21.1626 21.2739 22.3922 22.5427 23.7666 23.8609 k = 0.5000 0.2887 0.1641 ( 1376 PWs) bands (ev): -57.0232 -57.0232 -28.5531 -28.5529 -19.1880 -19.1863 -18.6252 -18.6250 -1.7641 -1.7096 4.0144 4.0863 8.5716 8.5747 9.0270 9.2495 11.6271 11.6439 13.5748 14.0555 14.9494 15.0263 15.3110 15.5082 20.5980 20.7904 21.1469 21.2572 22.4297 22.5774 23.8585 23.9474 k = 0.5000 0.2887 0.1550 ( 1376 PWs) bands (ev): -57.0233 -57.0233 -28.5530 -28.5528 -19.1882 -19.1865 -18.6246 -18.6244 -1.7612 -1.7075 4.0459 4.1179 8.4727 8.4751 9.0214 9.2345 11.6813 11.6990 13.6343 14.1104 14.8654 14.9301 15.3038 15.4939 20.5844 20.7752 21.1320 21.2409 22.4667 22.6109 23.9487 24.0320 k = 0.5000 0.2887 0.1459 ( 1376 PWs) bands (ev): -57.0233 -57.0233 -28.5529 -28.5527 -19.1883 -19.1866 -18.6240 -18.6239 -1.7581 -1.7057 4.0781 4.1499 8.3747 8.3760 9.0182 9.2217 11.7372 11.7559 13.6907 14.1607 14.7805 14.8336 15.2980 15.4815 20.5715 20.7596 21.1181 21.2251 22.5032 22.6432 24.0366 24.1142 k = 0.5000 0.2887 0.1368 ( 1372 PWs) bands (ev): -57.0233 -57.0233 -28.5528 -28.5526 -19.1884 -19.1868 -18.6235 -18.6233 -1.7550 -1.7041 4.1110 4.1821 8.2786 8.2788 9.0166 9.2104 11.7947 11.8143 13.7436 14.2063 14.6956 14.7372 15.2939 15.4707 20.5595 20.7435 21.1053 21.2099 22.5389 22.6743 24.1219 24.1937 k = 0.5000 0.2887 0.1277 ( 1368 PWs) bands (ev): -57.0233 -57.0233 -28.5528 -28.5526 -19.1885 -19.1870 -18.6229 -18.6228 -1.7519 -1.7028 4.1443 4.2143 8.1838 8.1857 9.0162 9.1999 11.8535 11.8741 13.7926 14.2473 14.6119 14.6410 15.2912 15.4611 20.5483 20.7271 21.0937 21.1953 22.5738 22.7038 24.2041 24.2702 k = 0.5000 0.2887 0.1185 ( 1366 PWs) bands (ev): -57.0233 -57.0233 -28.5527 -28.5525 -19.1886 -19.1871 -18.6224 -18.6222 -1.7487 -1.7017 4.1778 4.2461 8.0922 8.0959 9.0167 9.1899 11.9135 11.9350 13.8367 14.2836 14.5307 14.5455 15.2901 15.4524 20.5382 20.7104 21.0834 21.1812 22.6078 22.7318 24.2828 24.3432 k = 0.5000 0.2887 0.1094 ( 1366 PWs) bands (ev): -57.0233 -57.0233 -28.5526 -28.5525 -19.1887 -19.1873 -18.6219 -18.6217 -1.7454 -1.7009 4.2113 4.2774 8.0046 8.0098 9.0180 9.1803 11.9745 11.9969 13.8748 14.3151 14.4510 14.4537 15.2905 15.4445 20.5291 20.6934 21.0744 21.1677 22.6406 22.7580 24.3576 24.4125 k = 0.5000 0.2887 0.1003 ( 1366 PWs) bands (ev): -57.0233 -57.0233 -28.5526 -28.5524 -19.1887 -19.1874 -18.6214 -18.6213 -1.7422 -1.7004 4.2444 4.3079 7.9214 7.9281 9.0201 9.1710 12.0362 12.0594 13.9043 14.3402 14.3596 14.3840 15.2923 15.4372 20.5212 20.6763 21.0668 21.1549 22.6721 22.7824 24.4282 24.4777 k = 0.5000 0.2887 0.0912 ( 1370 PWs) bands (ev): -57.0233 -57.0233 -28.5525 -28.5524 -19.1888 -19.1876 -18.6210 -18.6209 -1.7390 -1.7001 4.2769 4.3371 7.8432 7.8511 9.0228 9.1617 12.0982 12.1221 13.9216 14.2656 14.3257 14.3652 15.2954 15.4302 20.5144 20.6592 21.0604 21.1427 22.7021 22.8046 24.4942 24.5385 k = 0.5000 0.2887 0.0821 ( 1374 PWs) bands (ev): -57.0233 -57.0233 -28.5525 -28.5524 -19.1889 -19.1878 -18.6206 -18.6205 -1.7358 -1.7001 4.3084 4.3648 7.7705 7.7793 9.0260 9.1527 12.1602 12.1846 13.9217 14.1765 14.2845 14.3831 15.2997 15.4236 20.5089 20.6423 21.0554 21.1312 22.7306 22.8247 24.5552 24.5945 k = 0.5000 0.2887 0.0730 ( 1374 PWs) bands (ev): -57.0233 -57.0233 -28.5525 -28.5523 -19.1889 -19.1879 -18.6203 -18.6201 -1.7327 -1.7004 4.3385 4.3906 7.7039 7.7132 9.0299 9.1437 12.2215 12.2463 13.9017 14.0903 14.2639 14.3968 15.3049 15.4172 20.5048 20.6257 21.0515 21.1203 22.7572 22.8425 24.6110 24.6454 k = 0.5000 0.2887 0.0638 ( 1372 PWs) bands (ev): -57.0233 -57.0233 -28.5524 -28.5523 -19.1889 -19.1881 -18.6199 -18.6198 -1.7296 -1.7009 4.3669 4.4141 7.6438 7.6532 9.0342 9.1348 12.2816 12.3062 13.8647 14.0076 14.2618 14.4065 15.3111 15.4108 20.5020 20.6097 21.0489 21.1101 22.7819 22.8578 24.6612 24.6909 k = 0.5000 0.2887 0.0547 ( 1372 PWs) bands (ev): -57.0233 -57.0233 -28.5524 -28.5523 -19.1890 -19.1882 -18.6196 -18.6195 -1.7266 -1.7017 4.3932 4.4349 7.5907 7.5997 9.0391 9.1260 12.3394 12.3634 13.8183 13.9295 14.2716 14.4123 15.3178 15.4045 20.5006 20.5943 21.0474 21.1006 22.8045 22.8705 24.7055 24.7307 k = 0.5000 0.2887 0.0456 ( 1372 PWs) bands (ev): -57.0234 -57.0234 -28.5523 -28.5522 -19.1890 -19.1883 -18.6194 -18.6193 -1.7237 -1.7027 4.4169 4.4526 7.5451 7.5534 9.0444 9.1174 12.3938 12.4165 13.7695 13.8572 14.2878 14.4144 15.3251 15.3981 20.5006 20.5797 21.0469 21.0918 22.8249 22.8806 24.7438 24.7646 k = 0.5000 0.2887 0.0365 ( 1370 PWs) bands (ev): -57.0234 -57.0234 -28.5523 -28.5522 -19.1890 -19.1884 -18.6191 -18.6191 -1.7209 -1.7039 4.4377 4.4669 7.5074 7.5146 9.0502 9.1089 12.4434 12.4638 13.7238 13.7922 14.3066 14.4131 15.3327 15.3916 20.5021 20.5660 21.0475 21.0837 22.8428 22.8878 24.7758 24.7923 k = 0.5000 0.2887 0.0274 ( 1370 PWs) bands (ev): -57.0234 -57.0234 -28.5523 -28.5522 -19.1889 -19.1885 -18.6190 -18.6189 -1.7182 -1.7054 4.4552 4.4775 7.4779 7.4836 9.0563 9.1006 12.4863 12.5033 13.6852 13.7362 14.3260 14.4085 15.3404 15.3849 20.5052 20.5534 21.0490 21.0764 22.8582 22.8923 24.8014 24.8136 k = 0.5000 0.2887 0.0182 ( 1370 PWs) bands (ev): -57.0234 -57.0234 -28.5522 -28.5522 -19.1889 -19.1886 -18.6189 -18.6188 -1.7156 -1.7070 4.4691 4.4841 7.4570 7.4609 9.0629 9.0925 12.5203 12.5326 13.6573 13.6914 14.3447 14.4009 15.3482 15.3779 20.5097 20.5420 21.0514 21.0698 22.8710 22.8938 24.8203 24.8284 k = 0.5000 0.2887 0.0091 ( 1370 PWs) bands (ev): -57.0234 -57.0234 -28.5522 -28.5522 -19.1889 -19.1887 -18.6188 -18.6188 -1.7132 -1.7089 4.4791 4.4866 7.4447 7.4468 9.0698 9.0847 12.5433 12.5498 13.6427 13.6599 14.3620 14.3904 15.3559 15.3708 20.5156 20.5318 21.0548 21.0640 22.8810 22.8924 24.8325 24.8365 k = 0.5000 0.2887-0.0000 ( 1366 PWs) bands (ev): -57.0234 -57.0234 -28.5522 -28.5522 -19.1888 -19.1888 -18.6187 -18.6187 -1.7110 -1.7110 4.4849 4.4849 7.4414 7.4414 9.0771 9.0771 12.5535 12.5535 13.6434 13.6434 14.3774 14.3774 15.3634 15.3634 20.5230 20.5230 21.0590 21.0590 22.8882 22.8882 24.8379 24.8379 k = 0.3333 0.5774-0.0000 ( 1392 PWs) bands (ev): -57.0163 -57.0163 -28.5869 -28.5556 -19.2383 -19.0892 -18.7710 -18.7204 -1.6126 -1.4383 4.4877 4.5171 8.1232 8.4997 9.5676 9.5737 10.3196 10.7119 11.5709 11.6862 15.9689 16.2687 16.7196 16.7944 18.7600 18.8018 21.9998 22.0080 22.3290 22.6932 25.3288 25.6038 k = 0.3333 0.5774 0.0091 ( 1386 PWs) bands (ev): -57.0162 -57.0162 -28.5868 -28.5555 -19.2382 -19.0892 -18.7710 -18.7204 -1.6128 -1.4387 4.4862 4.5166 8.1263 8.5020 9.5694 9.5754 10.3137 10.7021 11.5776 11.6972 15.9698 16.2694 16.7160 16.7912 18.7607 18.8025 21.9824 22.0017 22.3436 22.6964 25.3227 25.5980 k = 0.3333 0.5774 0.0182 ( 1386 PWs) bands (ev): -57.0162 -57.0162 -28.5868 -28.5556 -19.2382 -19.0891 -18.7710 -18.7204 -1.6132 -1.4400 4.4818 4.5153 8.1355 8.5090 9.5747 9.5806 10.2964 10.6740 11.5975 11.7287 15.9726 16.2715 16.7052 16.7818 18.7628 18.8046 21.9370 21.9832 22.3804 22.7057 25.3042 25.5808 k = 0.3333 0.5774 0.0274 ( 1386 PWs) bands (ev): -57.0162 -57.0162 -28.5868 -28.5556 -19.2381 -19.0891 -18.7711 -18.7206 -1.6140 -1.4421 4.4746 4.5132 8.1509 8.5206 9.5836 9.5891 10.2688 10.6306 11.6294 11.7776 15.9773 16.2748 16.6873 16.7662 18.7663 18.8080 21.8748 21.9535 22.4286 22.7200 25.2739 25.5524 k = 0.3333 0.5774 0.0365 ( 1383 PWs) bands (ev): -57.0162 -57.0162 -28.5868 -28.5556 -19.2380 -19.0891 -18.7713 -18.7207 -1.6150 -1.4450 4.4646 4.5102 8.1722 8.5368 9.5960 9.6011 10.2324 10.5757 11.6718 11.8401 15.9839 16.2791 16.6623 16.7448 18.7711 18.8129 21.8025 21.9139 22.4811 22.7381 25.2321 25.5132 k = 0.3333 0.5774 0.0456 ( 1383 PWs) bands (ev): -57.0162 -57.0162 -28.5869 -28.5556 -19.2379 -19.0890 -18.7715 -18.7210 -1.6164 -1.4487 4.4520 4.5064 8.1992 8.5574 9.6119 9.6164 10.1889 10.5128 11.7229 11.9128 15.9925 16.2841 16.6304 16.7183 18.7773 18.8191 21.7237 21.8658 22.5346 22.7588 25.1796 25.4638 k = 0.3333 0.5774 0.0547 ( 1389 PWs) bands (ev): -57.0162 -57.0162 -28.5869 -28.5557 -19.2377 -19.0889 -18.7718 -18.7213 -1.6180 -1.4532 4.4369 4.5019 8.2318 8.5824 9.6312 9.6350 10.1400 10.4445 11.7811 11.9930 16.0030 16.2889 16.5918 16.6875 18.7848 18.8267 21.6401 21.8105 22.5875 22.7808 25.1172 25.4048 k = 0.3333 0.5774 0.0638 ( 1389 PWs) bands (ev): -57.0162 -57.0162 -28.5869 -28.5557 -19.2375 -19.0888 -18.7721 -18.7216 -1.6199 -1.4584 4.4196 4.4966 8.2698 8.6116 9.6541 9.6568 10.0869 10.3728 11.8449 12.0784 16.0156 16.2924 16.5467 16.6538 18.7936 18.8355 21.5527 21.7489 22.6388 22.8033 25.0456 25.3370 k = 0.3333 0.5774 0.0730 ( 1395 PWs) bands (ev): -57.0162 -57.0162 -28.5870 -28.5558 -19.2373 -19.0887 -18.7724 -18.7220 -1.6221 -1.4643 4.4003 4.4908 8.3127 8.6448 9.6803 9.6818 10.0311 10.2991 11.9132 12.1677 16.0302 16.2926 16.4953 16.6196 18.8036 18.8456 21.4621 21.6818 22.6882 22.8256 24.9658 25.2610 k = 0.3333 0.5774 0.0821 ( 1401 PWs) bands (ev): -57.0162 -57.0162 -28.5871 -28.5558 -19.2370 -19.0886 -18.7728 -18.7225 -1.6245 -1.4709 4.3792 4.4843 8.3603 8.6820 9.7097 9.7099 9.9736 10.2244 11.9847 12.2597 16.0469 16.2861 16.4378 16.5884 18.8149 18.8568 21.3688 21.6101 22.7352 22.8471 24.8785 25.1777 k = 0.3333 0.5774 0.0912 ( 1401 PWs) bands (ev): -57.0162 -57.0162 -28.5871 -28.5559 -19.2368 -19.0885 -18.7732 -18.7229 -1.6272 -1.4781 4.3565 4.4774 8.4123 8.7228 9.7398 9.7429 9.9159 10.1495 12.0587 12.3534 16.0659 16.2686 16.3747 16.5650 18.8273 18.8693 21.2730 21.5341 22.7799 22.8677 24.7847 25.0877 k = 0.3333 0.5774 0.1003 ( 1395 PWs) bands (ev): -57.0162 -57.0162 -28.5871 -28.5559 -19.2364 -19.0883 -18.7736 -18.7234 -1.6301 -1.4859 4.3325 4.4700 8.4684 8.7672 9.7689 9.7791 9.8619 10.0750 12.1344 12.4481 16.0871 16.2365 16.3061 16.5533 18.8408 18.8828 21.1752 21.4545 22.8221 22.8869 24.6852 24.9919 k = 0.3333 0.5774 0.1094 ( 1395 PWs) bands (ev): -57.0162 -57.0162 -28.5871 -28.5560 -19.2361 -19.0881 -18.7741 -18.7239 -1.6331 -1.4942 4.3074 4.4622 8.5281 8.8148 9.7700 9.8185 9.8387 10.0013 12.2112 12.5432 16.1107 16.1892 16.2323 16.5541 18.8553 18.8973 21.0754 21.3716 22.8616 22.9046 24.5806 24.8908 k = 0.3333 0.5774 0.1185 ( 1392 PWs) bands (ev): -57.0162 -57.0162 -28.5872 -28.5560 -19.2357 -19.0880 -18.7746 -18.7245 -1.6364 -1.5030 4.2814 4.4542 8.5912 8.8654 9.7226 9.8611 9.8676 9.9288 12.2885 12.6382 16.1291 16.1367 16.1538 16.5655 18.8708 18.9128 20.9741 21.2859 22.8986 22.9207 24.4716 24.7852 k = 0.3333 0.5774 0.1277 ( 1392 PWs) bands (ev): -57.0162 -57.0162 -28.5872 -28.5561 -19.2353 -19.0878 -18.7751 -18.7251 -1.6399 -1.5122 4.2547 4.4459 8.6572 8.9188 9.6661 9.8577 9.9068 9.9091 12.3659 12.7327 16.0590 16.0708 16.1652 16.5850 18.8873 18.9292 20.8715 21.1976 22.9329 22.9353 24.3589 24.6758 k = 0.3333 0.5774 0.1368 ( 1398 PWs) bands (ev): -57.0162 -57.0162 -28.5873 -28.5562 -19.2350 -19.0876 -18.7757 -18.7257 -1.6434 -1.5218 4.2276 4.4374 8.7258 8.9747 9.6088 9.7881 9.9552 9.9554 12.4430 12.8261 15.9812 15.9837 16.1963 16.6107 18.9045 18.9464 20.7678 21.1072 22.9482 22.9645 24.2431 24.5630 k = 0.3333 0.5774 0.1459 ( 1392 PWs) bands (ev): -57.0162 -57.0162 -28.5873 -28.5562 -19.2346 -19.0874 -18.7762 -18.7263 -1.6471 -1.5317 4.2003 4.4288 8.7966 9.0328 9.5520 9.7205 10.0048 10.0070 12.5193 12.9181 15.8929 15.8974 16.2300 16.6413 18.9225 18.9642 20.6633 21.0150 22.9595 22.9935 24.1248 24.4477 k = 0.3333 0.5774 0.1550 ( 1383 PWs) bands (ev): -57.0161 -57.0161 -28.5873 -28.5562 -19.2342 -19.0872 -18.7767 -18.7269 -1.6509 -1.5418 4.1729 4.4202 8.8693 9.0928 9.4964 9.6547 10.0573 10.0613 12.5946 13.0083 15.7986 15.8087 16.2664 16.6760 18.9412 18.9827 20.5584 20.9214 22.9693 23.0199 24.0045 24.3303 k = 0.3333 0.5774 0.1641 ( 1383 PWs) bands (ev): -57.0161 -57.0161 -28.5874 -28.5563 -19.2337 -19.0870 -18.7773 -18.7276 -1.6548 -1.5521 4.1456 4.4116 8.9434 9.1543 9.4421 9.5912 10.1125 10.1183 12.6684 13.0964 15.7014 15.7160 16.3056 16.7143 18.9604 19.0017 20.4533 20.8268 22.9775 23.0435 23.8827 24.2115 k = 0.3333 0.5774 0.1733 ( 1383 PWs) bands (ev): -57.0161 -57.0161 -28.5874 -28.5563 -19.2333 -19.0868 -18.7779 -18.7282 -1.6588 -1.5626 4.1186 4.4031 9.0186 9.2171 9.3893 9.5299 10.1703 10.1779 12.7407 13.1821 15.6015 15.6199 16.3474 16.7558 18.9801 19.0211 20.3484 20.7314 22.9844 23.0642 23.7598 24.0921 k = 0.3333 0.5774 0.1824 ( 1383 PWs) bands (ev): -57.0161 -57.0161 -28.5875 -28.5564 -19.2329 -19.0866 -18.7785 -18.7289 -1.6628 -1.5731 4.0920 4.3946 9.0945 9.2804 9.3383 9.4713 10.2305 10.2398 12.8110 13.2650 15.4993 15.5211 16.3920 16.8002 19.0001 19.0407 20.2440 20.6358 22.9900 23.0818 23.6364 23.9728 k = 0.3333 0.5774 0.1915 ( 1374 PWs) bands (ev): -57.0161 -57.0161 -28.5875 -28.5564 -19.2324 -19.0863 -18.7791 -18.7296 -1.6668 -1.5836 4.0659 4.3864 9.1707 9.2892 9.3420 9.4175 10.2929 10.3041 12.8791 13.3448 15.3952 15.4200 16.4392 16.8474 19.0204 19.0605 20.1404 20.5403 22.9943 23.0959 23.5129 23.8547 k = 0.3333 0.5774 0.2006 ( 1368 PWs) bands (ev): -57.0161 -57.0161 -28.5875 -28.5565 -19.2320 -19.0861 -18.7797 -18.7302 -1.6708 -1.5940 4.0405 4.3783 9.2419 9.2470 9.3523 9.4177 10.3573 10.3703 12.9450 13.4213 15.2896 15.3172 16.4890 16.8970 19.0409 19.0803 20.0381 20.4454 22.9976 23.1058 23.3898 23.7390 k = 0.3333 0.5774 0.2097 ( 1368 PWs) bands (ev): -57.0160 -57.0160 -28.5875 -28.5565 -19.2315 -19.0859 -18.7802 -18.7309 -1.6747 -1.6043 4.0159 4.3705 9.1967 9.3040 9.3227 9.4789 10.4235 10.4385 13.0082 13.4943 15.1829 15.2130 16.5411 16.9488 19.0613 19.1000 19.9373 20.3514 22.9999 23.1097 23.2675 23.6280 k = 0.3333 0.5774 0.2189 ( 1368 PWs) bands (ev): -57.0160 -57.0160 -28.5876 -28.5566 -19.2311 -19.0857 -18.7808 -18.7316 -1.6786 -1.6144 3.9922 4.3629 9.1536 9.2553 9.3976 9.5426 10.4913 10.5083 13.0688 13.5636 15.0755 15.1081 16.5955 17.0026 19.0817 19.1194 19.8386 20.2589 23.0013 23.1048 23.1466 23.5252 k = 0.3333 0.5774 0.2280 ( 1368 PWs) bands (ev): -57.0160 -57.0160 -28.5876 -28.5567 -19.2307 -19.0855 -18.7814 -18.7322 -1.6825 -1.6243 3.9694 4.3557 9.1126 9.2087 9.4713 9.6061 10.5605 10.5795 13.1265 13.6290 14.9679 15.0028 16.6518 17.0580 19.1018 19.1385 19.7422 20.1682 23.0019 23.0274 23.0856 23.4368 k = 0.3333 0.5774 0.2371 ( 1368 PWs) bands (ev): -57.0160 -57.0160 -28.5877 -28.5567 -19.2303 -19.0853 -18.7820 -18.7329 -1.6862 -1.6338 3.9477 4.3488 9.0739 9.1647 9.5433 9.6685 10.6306 10.6518 13.1812 13.6904 14.8605 14.8976 16.7097 17.1147 19.1216 19.1570 19.6486 20.0798 22.9106 23.0019 23.0452 23.3702 k = 0.3333 0.5774 0.2462 ( 1368 PWs) bands (ev): -57.0160 -57.0160 -28.5877 -28.5568 -19.2299 -19.0851 -18.7825 -18.7335 -1.6898 -1.6430 3.9271 4.3423 9.0375 9.1232 9.6133 9.7294 10.7015 10.7249 13.2329 13.7477 14.7537 14.7930 16.7687 17.1724 19.1409 19.1749 19.5583 19.9942 22.7966 22.9810 23.0014 23.3288 k = 0.3333 0.5774 0.2553 ( 1368 PWs) bands (ev): -57.0160 -57.0160 -28.5878 -28.5569 -19.2296 -19.0850 -18.7830 -18.7341 -1.6932 -1.6519 3.9077 4.3361 9.0034 9.0844 9.6808 9.7884 10.7726 10.7984 13.2815 13.8009 14.6482 14.6896 16.8285 17.2305 19.1595 19.1919 19.4716 19.9119 22.6861 22.8996 23.0004 23.3068 k = 0.3333 0.5774 0.2645 ( 1368 PWs) bands (ev): -57.0160 -57.0160 -28.5878 -28.5569 -19.2292 -19.0848 -18.7835 -18.7346 -1.6965 -1.6602 3.8895 4.3303 8.9717 9.0484 9.7455 9.8452 10.8435 10.8719 13.3270 13.8498 14.5445 14.5878 16.8884 17.2886 19.1775 19.2080 19.3889 19.8333 22.5796 22.8096 22.9991 23.2960 k = 0.3333 0.5774 0.2736 ( 1368 PWs) bands (ev): -57.0160 -57.0160 -28.5879 -28.5570 -19.2289 -19.0846 -18.7840 -18.7352 -1.6996 -1.6681 3.8726 4.3250 8.9424 9.0151 9.8068 9.8992 10.9138 10.9448 13.3693 13.8946 14.4432 14.4884 16.9478 17.3461 19.1946 19.2230 19.3108 19.7588 22.4778 22.7175 22.9976 23.2911 k = 0.3333 0.5774 0.2827 ( 1362 PWs) bands (ev): -57.0160 -57.0160 -28.5879 -28.5570 -19.2285 -19.0845 -18.7844 -18.7356 -1.7025 -1.6755 3.8571 4.3200 8.9155 8.9847 9.8645 9.9501 10.9828 11.0167 13.4085 13.9352 14.3452 14.3919 17.0061 17.4024 19.2107 19.2369 19.2375 19.6890 22.3814 22.6267 22.9959 23.2891 k = 0.3333 0.5774 0.2918 ( 1365 PWs) bands (ev): -57.0160 -57.0160 -28.5879 -28.5570 -19.2283 -19.0843 -18.7848 -18.7361 -1.7052 -1.6822 3.8429 4.3155 8.8911 8.9570 9.9180 9.9975 11.0497 11.0866 13.4447 13.9717 14.2511 14.2990 17.0624 17.4568 19.1696 19.2257 19.2495 19.6242 22.2909 22.5397 22.9941 23.2887 k = 0.3333 0.5774 0.3009 ( 1359 PWs) bands (ev): -57.0159 -57.0159 -28.5879 -28.5571 -19.2280 -19.0842 -18.7851 -18.7365 -1.7076 -1.6884 3.8301 4.3115 8.8693 8.9322 9.9672 10.0411 11.1139 11.1539 13.4779 14.0042 14.1620 14.2106 17.1160 17.5086 19.1075 19.2396 19.2607 19.5649 22.2073 22.4580 22.9923 23.2890 k = 0.3333 0.5774 0.3100 ( 1359 PWs) bands (ev): -57.0159 -57.0159 -28.5879 -28.5571 -19.2277 -19.0841 -18.7855 -18.7369 -1.7098 -1.6939 3.8188 4.3079 8.8499 8.9103 10.0115 10.0805 11.1744 11.2176 13.5085 14.0326 14.0789 14.1273 17.1661 17.5569 19.0515 19.2522 19.2706 19.5114 22.1311 22.3829 22.9906 23.2897 k = 0.3333 0.5774 0.3192 ( 1362 PWs) bands (ev): -57.0159 -57.0159 -28.5880 -28.5571 -19.2275 -19.0840 -18.7858 -18.7372 -1.7117 -1.6987 3.8089 4.3048 8.8331 8.8913 10.0506 10.1153 11.2302 11.2765 13.5365 14.0028 14.0500 14.0570 17.2118 17.6011 19.0020 19.2635 19.2790 19.4640 22.0632 22.3155 22.9890 23.2904 k = 0.3333 0.5774 0.3283 ( 1362 PWs) bands (ev): -57.0159 -57.0159 -28.5880 -28.5572 -19.2274 -19.0839 -18.7860 -18.7375 -1.7133 -1.7028 3.8005 4.3021 8.8188 8.8752 10.0842 10.1453 11.2802 11.3297 13.5623 13.9351 13.9795 14.0776 17.2522 17.6402 18.9595 19.2735 19.2860 19.4231 22.0042 22.2567 22.9875 23.2912 k = 0.3333 0.5774 0.3374 ( 1368 PWs) bands (ev): -57.0159 -57.0159 -28.5880 -28.5572 -19.2273 -19.0839 -18.7862 -18.7377 -1.7147 -1.7062 3.7937 4.3000 8.8071 8.8620 10.1122 10.1703 11.3232 11.3756 13.5863 13.8772 13.9168 14.0943 17.2866 17.6735 18.9241 19.2822 19.2916 19.3888 21.9549 22.2073 22.9863 23.2918 k = 0.3333 0.5774 0.3465 ( 1368 PWs) bands (ev): -57.0159 -57.0159 -28.5881 -28.5572 -19.2272 -19.0838 -18.7864 -18.7379 -1.7158 -1.7089 3.7883 4.2983 8.7980 8.8517 10.1342 10.1899 11.3582 11.4131 13.6087 13.8303 13.8628 14.1073 17.3142 17.7002 18.8963 19.2897 19.2959 19.3610 21.9158 22.1681 22.9853 23.2923 k = 0.3333 0.5774 0.3556 ( 1368 PWs) bands (ev): -57.0159 -57.0159 -28.5881 -28.5573 -19.2271 -19.0838 -18.7865 -18.7380 -1.7165 -1.7108 3.7845 4.2971 8.7915 8.8443 10.1500 10.2041 11.3840 11.4409 13.6293 13.7957 13.8187 14.1165 17.3344 17.7198 18.8762 19.2965 19.2990 19.3397 21.8875 22.1396 22.9846 23.2927 k = 0.3333 0.5774 0.3648 ( 1362 PWs) bands (ev): -57.0159 -57.0159 -28.5880 -28.5572 -19.2270 -19.0837 -18.7865 -18.7381 -1.7170 -1.7120 3.7822 4.2964 8.7876 8.8399 10.1596 10.2126 11.3999 11.4581 13.6458 13.7745 13.7877 14.1220 17.3468 17.7318 18.8641 19.3008 19.3032 19.3244 21.8704 22.1224 22.9841 23.2929 k = 0.3333 0.5774 0.3739 ( 1362 PWs) bands (ev): -57.0159 -57.0159 -28.5880 -28.5572 -19.2270 -19.0837 -18.7865 -18.7381 -1.7171 -1.7124 3.7814 4.2961 8.7863 8.8384 10.1628 10.2155 11.4053 11.4639 13.6529 13.7674 13.7757 14.1239 17.3509 17.7358 18.8600 19.3014 19.3083 19.3163 21.8647 22.1166 22.9840 23.2930 Writing output data file WN2.save init_run : 2.64s CPU 13.14s WALL ( 1 calls) electrons : 191.60s CPU 195.78s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.45s CPU 1.36s WALL ( 1 calls) Called by electrons: c_bands : 191.57s CPU 195.53s WALL ( 1 calls) v_of_rho : 0.26s CPU 0.92s WALL ( 1 calls) v_h : 0.02s CPU 0.02s WALL ( 1 calls) v_xc : 0.23s CPU 0.53s WALL ( 1 calls) newd : 0.12s CPU 0.39s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.13s WALL ( 474 calls) cegterg : 155.70s CPU 156.94s WALL ( 535 calls) Called by sum_band: Called by *egterg: h_psi : 72.05s CPU 76.52s WALL ( 9267 calls) s_psi : 5.39s CPU 5.92s WALL ( 9267 calls) g_psi : 0.11s CPU 0.18s WALL ( 8258 calls) cdiaghg : 58.47s CPU 57.27s WALL ( 8732 calls) cegterg:over : 15.21s CPU 12.88s WALL ( 8258 calls) cegterg:upda : 0.85s CPU 2.12s WALL ( 8258 calls) cegterg:last : 1.27s CPU 1.93s WALL ( 1957 calls) Called by h_psi: h_psi:vloc : 59.61s CPU 63.70s WALL ( 9267 calls) h_psi:vnl : 12.40s CPU 12.55s WALL ( 9267 calls) add_vuspsi : 2.23s CPU 4.25s WALL ( 9267 calls) General routines calbec : 10.16s CPU 8.20s WALL ( 9267 calls) fft : 0.29s CPU 1.44s WALL ( 19 calls) ffts : 0.00s CPU 0.03s WALL ( 4 calls) fftw : 57.68s CPU 61.10s WALL ( 781212 calls) interpolate : 0.02s CPU 0.05s WALL ( 4 calls) davcio : 0.02s CPU 1.07s WALL ( 948 calls) Parallel routines fft_scatter : 42.01s CPU 44.14s WALL ( 781235 calls) PWSCF : 3m57.44s CPU 6m21.83s WALL This run was terminated on: 17:39:24 30Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=