Program PWSCF v.5.1.1 starts on 30Jul2015 at 17:31:21 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: ./NbN.save/ file Nb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 4P 4P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 14 8 2 268 116 20 Max 15 9 3 272 127 27 Sum 673 409 127 12929 5915 1135 bravais-lattice index = 14 lattice parameter (alat) = 5.5274 a.u. unit-cell volume = 132.5027 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 18.00 number of Kohn-Sham states= 26 kinetic-energy cutoff = 48.0000 Ry charge density cutoff = 321.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.527449 celldm(2)= 1.000000 celldm(3)= 0.905983 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 0.905983 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 1.103774 ) PseudoPot. # 1 for Nb read from file: /home/autes/Pseudo/Nb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: c1e153ab096482f446ae869583c6ae55 Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1227 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 Nb 13.00 92.90640 Nb( 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= 531 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018832 k( 2) = ( 0.0079365 0.0045821 -0.0000000), wk = 0.0018832 k( 3) = ( 0.0158730 0.0091643 -0.0000000), wk = 0.0018832 k( 4) = ( 0.0238095 0.0137464 -0.0000000), wk = 0.0018832 k( 5) = ( 0.0317460 0.0183286 -0.0000000), wk = 0.0018832 k( 6) = ( 0.0396825 0.0229107 -0.0000000), wk = 0.0018832 k( 7) = ( 0.0476191 0.0274929 -0.0000000), wk = 0.0018832 k( 8) = ( 0.0555556 0.0320750 -0.0000000), wk = 0.0018832 k( 9) = ( 0.0634921 0.0366572 -0.0000000), wk = 0.0018832 k( 10) = ( 0.0714286 0.0412393 -0.0000000), wk = 0.0018832 k( 11) = ( 0.0793651 0.0458215 -0.0000000), wk = 0.0018832 k( 12) = ( 0.0873016 0.0504036 -0.0000000), wk = 0.0018832 k( 13) = ( 0.0952381 0.0549857 -0.0000000), wk = 0.0018832 k( 14) = ( 0.1031746 0.0595679 -0.0000000), wk = 0.0018832 k( 15) = ( 0.1111111 0.0641500 -0.0000000), wk = 0.0018832 k( 16) = ( 0.1190476 0.0687322 -0.0000000), wk = 0.0018832 k( 17) = ( 0.1269841 0.0733143 -0.0000000), wk = 0.0018832 k( 18) = ( 0.1349206 0.0778965 -0.0000000), wk = 0.0018832 k( 19) = ( 0.1428571 0.0824786 -0.0000000), wk = 0.0018832 k( 20) = ( 0.1507937 0.0870608 -0.0000000), wk = 0.0018832 k( 21) = ( 0.1587302 0.0916429 -0.0000000), wk = 0.0018832 k( 22) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0018832 k( 23) = ( 0.1746032 0.1008072 -0.0000000), wk = 0.0018832 k( 24) = ( 0.1825397 0.1053893 -0.0000000), wk = 0.0018832 k( 25) = ( 0.1904762 0.1099715 -0.0000000), wk = 0.0018832 k( 26) = ( 0.1984127 0.1145536 -0.0000000), wk = 0.0018832 k( 27) = ( 0.2063492 0.1191358 -0.0000000), wk = 0.0018832 k( 28) = ( 0.2142857 0.1237179 -0.0000000), wk = 0.0018832 k( 29) = ( 0.2222222 0.1283001 -0.0000000), wk = 0.0018832 k( 30) = ( 0.2301587 0.1328822 -0.0000000), wk = 0.0018832 k( 31) = ( 0.2380952 0.1374644 -0.0000000), wk = 0.0018832 k( 32) = ( 0.2460317 0.1420465 -0.0000000), wk = 0.0018832 k( 33) = ( 0.2539683 0.1466286 -0.0000000), wk = 0.0018832 k( 34) = ( 0.2619048 0.1512108 -0.0000000), wk = 0.0018832 k( 35) = ( 0.2698413 0.1557929 -0.0000000), wk = 0.0018832 k( 36) = ( 0.2777778 0.1603751 -0.0000000), wk = 0.0018832 k( 37) = ( 0.2857143 0.1649572 -0.0000000), wk = 0.0018832 k( 38) = ( 0.2936508 0.1695394 -0.0000000), wk = 0.0018832 k( 39) = ( 0.3015873 0.1741215 -0.0000000), wk = 0.0018832 k( 40) = ( 0.3095238 0.1787037 -0.0000000), wk = 0.0018832 k( 41) = ( 0.3174603 0.1832858 -0.0000000), wk = 0.0018832 k( 42) = ( 0.3253968 0.1878679 -0.0000000), wk = 0.0018832 k( 43) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0018832 k( 44) = ( 0.3412698 0.1970322 -0.0000000), wk = 0.0018832 k( 45) = ( 0.3492063 0.2016144 -0.0000000), wk = 0.0018832 k( 46) = ( 0.3571429 0.2061965 -0.0000000), wk = 0.0018832 k( 47) = ( 0.3650794 0.2107787 -0.0000000), wk = 0.0018832 k( 48) = ( 0.3730159 0.2153608 -0.0000000), wk = 0.0018832 k( 49) = ( 0.3809524 0.2199430 -0.0000000), wk = 0.0018832 k( 50) = ( 0.3888889 0.2245251 -0.0000000), wk = 0.0018832 k( 51) = ( 0.3968254 0.2291073 -0.0000000), wk = 0.0018832 k( 52) = ( 0.4047619 0.2336894 -0.0000000), wk = 0.0018832 k( 53) = ( 0.4126984 0.2382715 -0.0000000), wk = 0.0018832 k( 54) = ( 0.4206349 0.2428537 -0.0000000), wk = 0.0018832 k( 55) = ( 0.4285714 0.2474358 -0.0000000), wk = 0.0018832 k( 56) = ( 0.4365079 0.2520180 -0.0000000), wk = 0.0018832 k( 57) = ( 0.4444444 0.2566001 -0.0000000), wk = 0.0018832 k( 58) = ( 0.4523810 0.2611823 -0.0000000), wk = 0.0018832 k( 59) = ( 0.4603175 0.2657644 -0.0000000), wk = 0.0018832 k( 60) = ( 0.4682540 0.2703466 -0.0000000), wk = 0.0018832 k( 61) = ( 0.4761905 0.2749287 -0.0000000), wk = 0.0018832 k( 62) = ( 0.4841270 0.2795108 -0.0000000), wk = 0.0018832 k( 63) = ( 0.4920635 0.2840930 -0.0000000), wk = 0.0018832 k( 64) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0018832 k( 65) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0018832 k( 66) = ( 0.4953704 0.2966939 -0.0000000), wk = 0.0018832 k( 67) = ( 0.4907407 0.3047126 -0.0000000), wk = 0.0018832 k( 68) = ( 0.4861111 0.3127314 -0.0000000), wk = 0.0018832 k( 69) = ( 0.4814815 0.3207502 -0.0000000), wk = 0.0018832 k( 70) = ( 0.4768519 0.3287689 -0.0000000), wk = 0.0018832 k( 71) = ( 0.4722222 0.3367877 -0.0000000), wk = 0.0018832 k( 72) = ( 0.4675926 0.3448064 -0.0000000), wk = 0.0018832 k( 73) = ( 0.4629630 0.3528252 -0.0000000), wk = 0.0018832 k( 74) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0018832 k( 75) = ( 0.4537037 0.3688627 -0.0000000), wk = 0.0018832 k( 76) = ( 0.4490741 0.3768814 -0.0000000), wk = 0.0018832 k( 77) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0018832 k( 78) = ( 0.4398148 0.3929189 -0.0000000), wk = 0.0018832 k( 79) = ( 0.4351852 0.4009377 -0.0000000), wk = 0.0018832 k( 80) = ( 0.4305556 0.4089564 -0.0000000), wk = 0.0018832 k( 81) = ( 0.4259259 0.4169752 -0.0000000), wk = 0.0018832 k( 82) = ( 0.4212963 0.4249940 -0.0000000), wk = 0.0018832 k( 83) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0018832 k( 84) = ( 0.4120370 0.4410315 -0.0000000), wk = 0.0018832 k( 85) = ( 0.4074074 0.4490502 -0.0000000), wk = 0.0018832 k( 86) = ( 0.4027778 0.4570690 -0.0000000), wk = 0.0018832 k( 87) = ( 0.3981481 0.4650877 -0.0000000), wk = 0.0018832 k( 88) = ( 0.3935185 0.4731065 -0.0000000), wk = 0.0018832 k( 89) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0018832 k( 90) = ( 0.3842593 0.4891440 -0.0000000), wk = 0.0018832 k( 91) = ( 0.3796296 0.4971627 -0.0000000), wk = 0.0018832 k( 92) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0018832 k( 93) = ( 0.3703704 0.5132002 -0.0000000), wk = 0.0018832 k( 94) = ( 0.3657407 0.5212190 -0.0000000), wk = 0.0018832 k( 95) = ( 0.3611111 0.5292377 -0.0000000), wk = 0.0018832 k( 96) = ( 0.3564815 0.5372565 -0.0000000), wk = 0.0018832 k( 97) = ( 0.3518519 0.5452753 -0.0000000), wk = 0.0018832 k( 98) = ( 0.3472222 0.5532940 -0.0000000), wk = 0.0018832 k( 99) = ( 0.3425926 0.5613128 -0.0000000), wk = 0.0018832 k( 100) = ( 0.3379630 0.5693315 -0.0000000), wk = 0.0018832 k( 101) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0018832 k( 102) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0018832 k( 103) = ( 0.3287037 0.5693315 -0.0000000), wk = 0.0018832 k( 104) = ( 0.3240741 0.5613128 -0.0000000), wk = 0.0018832 k( 105) = ( 0.3194444 0.5532940 -0.0000000), wk = 0.0018832 k( 106) = ( 0.3148148 0.5452752 -0.0000000), wk = 0.0018832 k( 107) = ( 0.3101852 0.5372565 -0.0000000), wk = 0.0018832 k( 108) = ( 0.3055556 0.5292378 -0.0000000), wk = 0.0018832 k( 109) = ( 0.3009259 0.5212190 -0.0000000), wk = 0.0018832 k( 110) = ( 0.2962963 0.5132002 -0.0000000), wk = 0.0018832 k( 111) = ( 0.2916667 0.5051815 -0.0000000), wk = 0.0018832 k( 112) = ( 0.2870370 0.4971627 -0.0000000), wk = 0.0018832 k( 113) = ( 0.2824074 0.4891440 -0.0000000), wk = 0.0018832 k( 114) = ( 0.2777778 0.4811252 -0.0000000), wk = 0.0018832 k( 115) = ( 0.2731481 0.4731065 -0.0000000), wk = 0.0018832 k( 116) = ( 0.2685185 0.4650877 -0.0000000), wk = 0.0018832 k( 117) = ( 0.2638889 0.4570690 -0.0000000), wk = 0.0018832 k( 118) = ( 0.2592593 0.4490502 -0.0000000), wk = 0.0018832 k( 119) = ( 0.2546296 0.4410315 -0.0000000), wk = 0.0018832 k( 120) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0018832 k( 121) = ( 0.2453704 0.4249939 -0.0000000), wk = 0.0018832 k( 122) = ( 0.2407407 0.4169752 -0.0000000), wk = 0.0018832 k( 123) = ( 0.2361111 0.4089564 -0.0000000), wk = 0.0018832 k( 124) = ( 0.2314815 0.4009377 -0.0000000), wk = 0.0018832 k( 125) = ( 0.2268518 0.3929189 -0.0000000), wk = 0.0018832 k( 126) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0018832 k( 127) = ( 0.2175926 0.3768814 -0.0000000), wk = 0.0018832 k( 128) = ( 0.2129630 0.3688627 -0.0000000), wk = 0.0018832 k( 129) = ( 0.2083333 0.3608439 -0.0000000), wk = 0.0018832 k( 130) = ( 0.2037037 0.3528252 -0.0000000), wk = 0.0018832 k( 131) = ( 0.1990741 0.3448064 -0.0000000), wk = 0.0018832 k( 132) = ( 0.1944444 0.3367876 -0.0000000), wk = 0.0018832 k( 133) = ( 0.1898148 0.3287689 -0.0000000), wk = 0.0018832 k( 134) = ( 0.1851852 0.3207502 -0.0000000), wk = 0.0018832 k( 135) = ( 0.1805556 0.3127314 -0.0000000), wk = 0.0018832 k( 136) = ( 0.1759259 0.3047126 -0.0000000), wk = 0.0018832 k( 137) = ( 0.1712963 0.2966939 -0.0000000), wk = 0.0018832 k( 138) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0018832 k( 139) = ( 0.1620370 0.2806564 -0.0000000), wk = 0.0018832 k( 140) = ( 0.1574074 0.2726376 -0.0000000), wk = 0.0018832 k( 141) = ( 0.1527778 0.2646189 -0.0000000), wk = 0.0018832 k( 142) = ( 0.1481482 0.2566001 -0.0000000), wk = 0.0018832 k( 143) = ( 0.1435185 0.2485814 -0.0000000), wk = 0.0018832 k( 144) = ( 0.1388889 0.2405626 -0.0000000), wk = 0.0018832 k( 145) = ( 0.1342593 0.2325439 -0.0000000), wk = 0.0018832 k( 146) = ( 0.1296296 0.2245251 -0.0000000), wk = 0.0018832 k( 147) = ( 0.1250000 0.2165064 -0.0000000), wk = 0.0018832 k( 148) = ( 0.1203704 0.2084876 -0.0000000), wk = 0.0018832 k( 149) = ( 0.1157407 0.2004688 -0.0000000), wk = 0.0018832 k( 150) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0018832 k( 151) = ( 0.1064815 0.1844313 -0.0000000), wk = 0.0018832 k( 152) = ( 0.1018518 0.1764126 -0.0000000), wk = 0.0018832 k( 153) = ( 0.0972222 0.1683938 -0.0000000), wk = 0.0018832 k( 154) = ( 0.0925926 0.1603751 -0.0000000), wk = 0.0018832 k( 155) = ( 0.0879630 0.1523563 -0.0000000), wk = 0.0018832 k( 156) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0018832 k( 157) = ( 0.0787037 0.1363188 -0.0000000), wk = 0.0018832 k( 158) = ( 0.0740741 0.1283001 -0.0000000), wk = 0.0018832 k( 159) = ( 0.0694444 0.1202813 -0.0000000), wk = 0.0018832 k( 160) = ( 0.0648148 0.1122625 -0.0000000), wk = 0.0018832 k( 161) = ( 0.0601852 0.1042438 -0.0000000), wk = 0.0018832 k( 162) = ( 0.0555556 0.0962251 -0.0000000), wk = 0.0018832 k( 163) = ( 0.0509259 0.0882063 -0.0000000), wk = 0.0018832 k( 164) = ( 0.0462963 0.0801875 -0.0000000), wk = 0.0018832 k( 165) = ( 0.0416667 0.0721688 -0.0000000), wk = 0.0018832 k( 166) = ( 0.0370370 0.0641500 -0.0000000), wk = 0.0018832 k( 167) = ( 0.0324074 0.0561313 -0.0000000), wk = 0.0018832 k( 168) = ( 0.0277778 0.0481125 -0.0000000), wk = 0.0018832 k( 169) = ( 0.0231481 0.0400938 -0.0000000), wk = 0.0018832 k( 170) = ( 0.0185185 0.0320750 -0.0000000), wk = 0.0018832 k( 171) = ( 0.0138889 0.0240563 -0.0000000), wk = 0.0018832 k( 172) = ( 0.0092593 0.0160375 -0.0000000), wk = 0.0018832 k( 173) = ( 0.0046296 0.0080188 -0.0000000), wk = 0.0018832 k( 174) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018832 k( 175) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018832 k( 176) = ( 0.0000000 0.0000000 0.0091981), wk = 0.0018832 k( 177) = ( 0.0000000 0.0000000 0.0183962), wk = 0.0018832 k( 178) = ( 0.0000000 0.0000000 0.0275943), wk = 0.0018832 k( 179) = ( 0.0000000 0.0000000 0.0367924), wk = 0.0018832 k( 180) = ( 0.0000000 0.0000000 0.0459906), wk = 0.0018832 k( 181) = ( 0.0000000 0.0000000 0.0551887), wk = 0.0018832 k( 182) = ( 0.0000000 0.0000000 0.0643868), wk = 0.0018832 k( 183) = ( 0.0000000 0.0000000 0.0735849), wk = 0.0018832 k( 184) = ( 0.0000000 0.0000000 0.0827830), wk = 0.0018832 k( 185) = ( 0.0000000 0.0000000 0.0919811), wk = 0.0018832 k( 186) = ( 0.0000000 0.0000000 0.1011792), wk = 0.0018832 k( 187) = ( 0.0000000 0.0000000 0.1103774), wk = 0.0018832 k( 188) = ( 0.0000000 0.0000000 0.1195755), wk = 0.0018832 k( 189) = ( 0.0000000 0.0000000 0.1287736), wk = 0.0018832 k( 190) = ( 0.0000000 0.0000000 0.1379717), wk = 0.0018832 k( 191) = ( 0.0000000 0.0000000 0.1471698), wk = 0.0018832 k( 192) = ( 0.0000000 0.0000000 0.1563679), wk = 0.0018832 k( 193) = ( 0.0000000 0.0000000 0.1655660), wk = 0.0018832 k( 194) = ( 0.0000000 0.0000000 0.1747641), wk = 0.0018832 k( 195) = ( 0.0000000 0.0000000 0.1839623), wk = 0.0018832 k( 196) = ( 0.0000000 0.0000000 0.1931604), wk = 0.0018832 k( 197) = ( 0.0000000 0.0000000 0.2023585), wk = 0.0018832 k( 198) = ( 0.0000000 0.0000000 0.2115566), wk = 0.0018832 k( 199) = ( 0.0000000 0.0000000 0.2207547), wk = 0.0018832 k( 200) = ( 0.0000000 0.0000000 0.2299528), wk = 0.0018832 k( 201) = ( 0.0000000 0.0000000 0.2391509), wk = 0.0018832 k( 202) = ( 0.0000000 0.0000000 0.2483491), wk = 0.0018832 k( 203) = ( 0.0000000 0.0000000 0.2575472), wk = 0.0018832 k( 204) = ( 0.0000000 0.0000000 0.2667453), wk = 0.0018832 k( 205) = ( 0.0000000 0.0000000 0.2759434), wk = 0.0018832 k( 206) = ( 0.0000000 0.0000000 0.2851415), wk = 0.0018832 k( 207) = ( 0.0000000 0.0000000 0.2943396), wk = 0.0018832 k( 208) = ( 0.0000000 0.0000000 0.3035377), wk = 0.0018832 k( 209) = ( 0.0000000 0.0000000 0.3127358), wk = 0.0018832 k( 210) = ( 0.0000000 0.0000000 0.3219340), wk = 0.0018832 k( 211) = ( 0.0000000 0.0000000 0.3311321), wk = 0.0018832 k( 212) = ( 0.0000000 0.0000000 0.3403302), wk = 0.0018832 k( 213) = ( 0.0000000 0.0000000 0.3495283), wk = 0.0018832 k( 214) = ( 0.0000000 0.0000000 0.3587264), wk = 0.0018832 k( 215) = ( 0.0000000 0.0000000 0.3679245), wk = 0.0018832 k( 216) = ( 0.0000000 0.0000000 0.3771226), wk = 0.0018832 k( 217) = ( 0.0000000 0.0000000 0.3863208), wk = 0.0018832 k( 218) = ( 0.0000000 0.0000000 0.3955189), wk = 0.0018832 k( 219) = ( 0.0000000 0.0000000 0.4047170), wk = 0.0018832 k( 220) = ( 0.0000000 0.0000000 0.4139151), wk = 0.0018832 k( 221) = ( 0.0000000 0.0000000 0.4231132), wk = 0.0018832 k( 222) = ( 0.0000000 0.0000000 0.4323113), wk = 0.0018832 k( 223) = ( 0.0000000 0.0000000 0.4415094), wk = 0.0018832 k( 224) = ( 0.0000000 0.0000000 0.4507075), wk = 0.0018832 k( 225) = ( 0.0000000 0.0000000 0.4599057), wk = 0.0018832 k( 226) = ( 0.0000000 0.0000000 0.4691038), wk = 0.0018832 k( 227) = ( 0.0000000 0.0000000 0.4783019), wk = 0.0018832 k( 228) = ( 0.0000000 0.0000000 0.4875000), wk = 0.0018832 k( 229) = ( 0.0000000 0.0000000 0.4966981), wk = 0.0018832 k( 230) = ( 0.0000000 0.0000000 0.5058962), wk = 0.0018832 k( 231) = ( 0.0000000 0.0000000 0.5150943), wk = 0.0018832 k( 232) = ( 0.0000000 0.0000000 0.5242925), wk = 0.0018832 k( 233) = ( 0.0000000 0.0000000 0.5334906), wk = 0.0018832 k( 234) = ( 0.0000000 0.0000000 0.5426887), wk = 0.0018832 k( 235) = ( 0.0000000 0.0000000 0.5518868), wk = 0.0018832 k( 236) = ( 0.0000000 0.0000000 0.5518868), wk = 0.0018832 k( 237) = ( 0.0079365 0.0045821 0.5518868), wk = 0.0018832 k( 238) = ( 0.0158730 0.0091643 0.5518868), wk = 0.0018832 k( 239) = ( 0.0238095 0.0137464 0.5518868), wk = 0.0018832 k( 240) = ( 0.0317460 0.0183286 0.5518868), wk = 0.0018832 k( 241) = ( 0.0396825 0.0229107 0.5518868), wk = 0.0018832 k( 242) = ( 0.0476191 0.0274929 0.5518868), wk = 0.0018832 k( 243) = ( 0.0555556 0.0320750 0.5518868), wk = 0.0018832 k( 244) = ( 0.0634921 0.0366572 0.5518868), wk = 0.0018832 k( 245) = ( 0.0714286 0.0412393 0.5518868), wk = 0.0018832 k( 246) = ( 0.0793651 0.0458215 0.5518868), wk = 0.0018832 k( 247) = ( 0.0873016 0.0504036 0.5518868), wk = 0.0018832 k( 248) = ( 0.0952381 0.0549857 0.5518868), wk = 0.0018832 k( 249) = ( 0.1031746 0.0595679 0.5518868), wk = 0.0018832 k( 250) = ( 0.1111111 0.0641500 0.5518868), wk = 0.0018832 k( 251) = ( 0.1190476 0.0687322 0.5518868), wk = 0.0018832 k( 252) = ( 0.1269841 0.0733143 0.5518868), wk = 0.0018832 k( 253) = ( 0.1349206 0.0778965 0.5518868), wk = 0.0018832 k( 254) = ( 0.1428571 0.0824786 0.5518868), wk = 0.0018832 k( 255) = ( 0.1507937 0.0870608 0.5518868), wk = 0.0018832 k( 256) = ( 0.1587302 0.0916429 0.5518868), wk = 0.0018832 k( 257) = ( 0.1666667 0.0962250 0.5518868), wk = 0.0018832 k( 258) = ( 0.1746032 0.1008072 0.5518868), wk = 0.0018832 k( 259) = ( 0.1825397 0.1053893 0.5518868), wk = 0.0018832 k( 260) = ( 0.1904762 0.1099715 0.5518868), wk = 0.0018832 k( 261) = ( 0.1984127 0.1145536 0.5518868), wk = 0.0018832 k( 262) = ( 0.2063492 0.1191358 0.5518868), wk = 0.0018832 k( 263) = ( 0.2142857 0.1237179 0.5518868), wk = 0.0018832 k( 264) = ( 0.2222222 0.1283001 0.5518868), wk = 0.0018832 k( 265) = ( 0.2301587 0.1328822 0.5518868), wk = 0.0018832 k( 266) = ( 0.2380952 0.1374644 0.5518868), wk = 0.0018832 k( 267) = ( 0.2460317 0.1420465 0.5518868), wk = 0.0018832 k( 268) = ( 0.2539683 0.1466286 0.5518868), wk = 0.0018832 k( 269) = ( 0.2619048 0.1512108 0.5518868), wk = 0.0018832 k( 270) = ( 0.2698413 0.1557929 0.5518868), wk = 0.0018832 k( 271) = ( 0.2777778 0.1603751 0.5518868), wk = 0.0018832 k( 272) = ( 0.2857143 0.1649572 0.5518868), wk = 0.0018832 k( 273) = ( 0.2936508 0.1695394 0.5518868), wk = 0.0018832 k( 274) = ( 0.3015873 0.1741215 0.5518868), wk = 0.0018832 k( 275) = ( 0.3095238 0.1787037 0.5518868), wk = 0.0018832 k( 276) = ( 0.3174603 0.1832858 0.5518868), wk = 0.0018832 k( 277) = ( 0.3253968 0.1878679 0.5518868), wk = 0.0018832 k( 278) = ( 0.3333333 0.1924501 0.5518868), wk = 0.0018832 k( 279) = ( 0.3412698 0.1970322 0.5518868), wk = 0.0018832 k( 280) = ( 0.3492063 0.2016144 0.5518868), wk = 0.0018832 k( 281) = ( 0.3571429 0.2061965 0.5518868), wk = 0.0018832 k( 282) = ( 0.3650794 0.2107787 0.5518868), wk = 0.0018832 k( 283) = ( 0.3730159 0.2153608 0.5518868), wk = 0.0018832 k( 284) = ( 0.3809524 0.2199430 0.5518868), wk = 0.0018832 k( 285) = ( 0.3888889 0.2245251 0.5518868), wk = 0.0018832 k( 286) = ( 0.3968254 0.2291073 0.5518868), wk = 0.0018832 k( 287) = ( 0.4047619 0.2336894 0.5518868), wk = 0.0018832 k( 288) = ( 0.4126984 0.2382715 0.5518868), wk = 0.0018832 k( 289) = ( 0.4206349 0.2428537 0.5518868), wk = 0.0018832 k( 290) = ( 0.4285714 0.2474358 0.5518868), wk = 0.0018832 k( 291) = ( 0.4365079 0.2520180 0.5518868), wk = 0.0018832 k( 292) = ( 0.4444444 0.2566001 0.5518868), wk = 0.0018832 k( 293) = ( 0.4523810 0.2611823 0.5518868), wk = 0.0018832 k( 294) = ( 0.4603175 0.2657644 0.5518868), wk = 0.0018832 k( 295) = ( 0.4682540 0.2703466 0.5518868), wk = 0.0018832 k( 296) = ( 0.4761905 0.2749287 0.5518868), wk = 0.0018832 k( 297) = ( 0.4841270 0.2795108 0.5518868), wk = 0.0018832 k( 298) = ( 0.4920635 0.2840930 0.5518868), wk = 0.0018832 k( 299) = ( 0.5000000 0.2886751 0.5518868), wk = 0.0018832 k( 300) = ( 0.5000000 0.2886751 0.5518868), wk = 0.0018832 k( 301) = ( 0.4953704 0.2966939 0.5518868), wk = 0.0018832 k( 302) = ( 0.4907407 0.3047126 0.5518868), wk = 0.0018832 k( 303) = ( 0.4861111 0.3127314 0.5518868), wk = 0.0018832 k( 304) = ( 0.4814815 0.3207502 0.5518868), wk = 0.0018832 k( 305) = ( 0.4768519 0.3287689 0.5518868), wk = 0.0018832 k( 306) = ( 0.4722222 0.3367877 0.5518868), wk = 0.0018832 k( 307) = ( 0.4675926 0.3448064 0.5518868), wk = 0.0018832 k( 308) = ( 0.4629630 0.3528252 0.5518868), wk = 0.0018832 k( 309) = ( 0.4583333 0.3608439 0.5518868), wk = 0.0018832 k( 310) = ( 0.4537037 0.3688627 0.5518868), wk = 0.0018832 k( 311) = ( 0.4490741 0.3768814 0.5518868), wk = 0.0018832 k( 312) = ( 0.4444444 0.3849002 0.5518868), wk = 0.0018832 k( 313) = ( 0.4398148 0.3929189 0.5518868), wk = 0.0018832 k( 314) = ( 0.4351852 0.4009377 0.5518868), wk = 0.0018832 k( 315) = ( 0.4305556 0.4089564 0.5518868), wk = 0.0018832 k( 316) = ( 0.4259259 0.4169752 0.5518868), wk = 0.0018832 k( 317) = ( 0.4212963 0.4249940 0.5518868), wk = 0.0018832 k( 318) = ( 0.4166667 0.4330127 0.5518868), wk = 0.0018832 k( 319) = ( 0.4120370 0.4410315 0.5518868), wk = 0.0018832 k( 320) = ( 0.4074074 0.4490502 0.5518868), wk = 0.0018832 k( 321) = ( 0.4027778 0.4570690 0.5518868), wk = 0.0018832 k( 322) = ( 0.3981481 0.4650877 0.5518868), wk = 0.0018832 k( 323) = ( 0.3935185 0.4731065 0.5518868), wk = 0.0018832 k( 324) = ( 0.3888889 0.4811252 0.5518868), wk = 0.0018832 k( 325) = ( 0.3842593 0.4891440 0.5518868), wk = 0.0018832 k( 326) = ( 0.3796296 0.4971627 0.5518868), wk = 0.0018832 k( 327) = ( 0.3750000 0.5051815 0.5518868), wk = 0.0018832 k( 328) = ( 0.3703704 0.5132002 0.5518868), wk = 0.0018832 k( 329) = ( 0.3657407 0.5212190 0.5518868), wk = 0.0018832 k( 330) = ( 0.3611111 0.5292377 0.5518868), wk = 0.0018832 k( 331) = ( 0.3564815 0.5372565 0.5518868), wk = 0.0018832 k( 332) = ( 0.3518519 0.5452753 0.5518868), wk = 0.0018832 k( 333) = ( 0.3472222 0.5532940 0.5518868), wk = 0.0018832 k( 334) = ( 0.3425926 0.5613128 0.5518868), wk = 0.0018832 k( 335) = ( 0.3379630 0.5693315 0.5518868), wk = 0.0018832 k( 336) = ( 0.3333333 0.5773503 0.5518868), wk = 0.0018832 k( 337) = ( 0.3333333 0.5773503 0.5518868), wk = 0.0018832 k( 338) = ( 0.3287037 0.5693315 0.5518868), wk = 0.0018832 k( 339) = ( 0.3240741 0.5613128 0.5518868), wk = 0.0018832 k( 340) = ( 0.3194444 0.5532940 0.5518868), wk = 0.0018832 k( 341) = ( 0.3148148 0.5452752 0.5518868), wk = 0.0018832 k( 342) = ( 0.3101852 0.5372565 0.5518868), wk = 0.0018832 k( 343) = ( 0.3055556 0.5292378 0.5518868), wk = 0.0018832 k( 344) = ( 0.3009259 0.5212190 0.5518868), wk = 0.0018832 k( 345) = ( 0.2962963 0.5132002 0.5518868), wk = 0.0018832 k( 346) = ( 0.2916667 0.5051815 0.5518868), wk = 0.0018832 k( 347) = ( 0.2870370 0.4971627 0.5518868), wk = 0.0018832 k( 348) = ( 0.2824074 0.4891440 0.5518868), wk = 0.0018832 k( 349) = ( 0.2777778 0.4811252 0.5518868), wk = 0.0018832 k( 350) = ( 0.2731481 0.4731065 0.5518868), wk = 0.0018832 k( 351) = ( 0.2685185 0.4650877 0.5518868), wk = 0.0018832 k( 352) = ( 0.2638889 0.4570690 0.5518868), wk = 0.0018832 k( 353) = ( 0.2592593 0.4490502 0.5518868), wk = 0.0018832 k( 354) = ( 0.2546296 0.4410315 0.5518868), wk = 0.0018832 k( 355) = ( 0.2500000 0.4330127 0.5518868), wk = 0.0018832 k( 356) = ( 0.2453704 0.4249939 0.5518868), wk = 0.0018832 k( 357) = ( 0.2407407 0.4169752 0.5518868), wk = 0.0018832 k( 358) = ( 0.2361111 0.4089564 0.5518868), wk = 0.0018832 k( 359) = ( 0.2314815 0.4009377 0.5518868), wk = 0.0018832 k( 360) = ( 0.2268518 0.3929189 0.5518868), wk = 0.0018832 k( 361) = ( 0.2222222 0.3849002 0.5518868), wk = 0.0018832 k( 362) = ( 0.2175926 0.3768814 0.5518868), wk = 0.0018832 k( 363) = ( 0.2129630 0.3688627 0.5518868), wk = 0.0018832 k( 364) = ( 0.2083333 0.3608439 0.5518868), wk = 0.0018832 k( 365) = ( 0.2037037 0.3528252 0.5518868), wk = 0.0018832 k( 366) = ( 0.1990741 0.3448064 0.5518868), wk = 0.0018832 k( 367) = ( 0.1944444 0.3367876 0.5518868), wk = 0.0018832 k( 368) = ( 0.1898148 0.3287689 0.5518868), wk = 0.0018832 k( 369) = ( 0.1851852 0.3207502 0.5518868), wk = 0.0018832 k( 370) = ( 0.1805556 0.3127314 0.5518868), wk = 0.0018832 k( 371) = ( 0.1759259 0.3047126 0.5518868), wk = 0.0018832 k( 372) = ( 0.1712963 0.2966939 0.5518868), wk = 0.0018832 k( 373) = ( 0.1666667 0.2886751 0.5518868), wk = 0.0018832 k( 374) = ( 0.1620370 0.2806564 0.5518868), wk = 0.0018832 k( 375) = ( 0.1574074 0.2726376 0.5518868), wk = 0.0018832 k( 376) = ( 0.1527778 0.2646189 0.5518868), wk = 0.0018832 k( 377) = ( 0.1481482 0.2566001 0.5518868), wk = 0.0018832 k( 378) = ( 0.1435185 0.2485814 0.5518868), wk = 0.0018832 k( 379) = ( 0.1388889 0.2405626 0.5518868), wk = 0.0018832 k( 380) = ( 0.1342593 0.2325439 0.5518868), wk = 0.0018832 k( 381) = ( 0.1296296 0.2245251 0.5518868), wk = 0.0018832 k( 382) = ( 0.1250000 0.2165064 0.5518868), wk = 0.0018832 k( 383) = ( 0.1203704 0.2084876 0.5518868), wk = 0.0018832 k( 384) = ( 0.1157407 0.2004688 0.5518868), wk = 0.0018832 k( 385) = ( 0.1111111 0.1924501 0.5518868), wk = 0.0018832 k( 386) = ( 0.1064815 0.1844313 0.5518868), wk = 0.0018832 k( 387) = ( 0.1018518 0.1764126 0.5518868), wk = 0.0018832 k( 388) = ( 0.0972222 0.1683938 0.5518868), wk = 0.0018832 k( 389) = ( 0.0925926 0.1603751 0.5518868), wk = 0.0018832 k( 390) = ( 0.0879630 0.1523563 0.5518868), wk = 0.0018832 k( 391) = ( 0.0833333 0.1443376 0.5518868), wk = 0.0018832 k( 392) = ( 0.0787037 0.1363188 0.5518868), wk = 0.0018832 k( 393) = ( 0.0740741 0.1283001 0.5518868), wk = 0.0018832 k( 394) = ( 0.0694444 0.1202813 0.5518868), wk = 0.0018832 k( 395) = ( 0.0648148 0.1122625 0.5518868), wk = 0.0018832 k( 396) = ( 0.0601852 0.1042438 0.5518868), wk = 0.0018832 k( 397) = ( 0.0555556 0.0962251 0.5518868), wk = 0.0018832 k( 398) = ( 0.0509259 0.0882063 0.5518868), wk = 0.0018832 k( 399) = ( 0.0462963 0.0801875 0.5518868), wk = 0.0018832 k( 400) = ( 0.0416667 0.0721688 0.5518868), wk = 0.0018832 k( 401) = ( 0.0370370 0.0641500 0.5518868), wk = 0.0018832 k( 402) = ( 0.0324074 0.0561313 0.5518868), wk = 0.0018832 k( 403) = ( 0.0277778 0.0481125 0.5518868), wk = 0.0018832 k( 404) = ( 0.0231481 0.0400938 0.5518868), wk = 0.0018832 k( 405) = ( 0.0185185 0.0320750 0.5518868), wk = 0.0018832 k( 406) = ( 0.0138889 0.0240563 0.5518868), wk = 0.0018832 k( 407) = ( 0.0092593 0.0160375 0.5518868), wk = 0.0018832 k( 408) = ( 0.0046296 0.0080188 0.5518868), wk = 0.0018832 k( 409) = ( 0.0000000 0.0000000 0.5518868), wk = 0.0018832 k( 410) = ( 0.5000000 0.2886751 0.5518868), wk = 0.0018832 k( 411) = ( 0.5000000 0.2886751 0.5426887), wk = 0.0018832 k( 412) = ( 0.5000000 0.2886751 0.5334906), wk = 0.0018832 k( 413) = ( 0.5000000 0.2886751 0.5242925), wk = 0.0018832 k( 414) = ( 0.5000000 0.2886751 0.5150943), wk = 0.0018832 k( 415) = ( 0.5000000 0.2886751 0.5058962), wk = 0.0018832 k( 416) = ( 0.5000000 0.2886751 0.4966981), wk = 0.0018832 k( 417) = ( 0.5000000 0.2886751 0.4875000), wk = 0.0018832 k( 418) = ( 0.5000000 0.2886751 0.4783019), wk = 0.0018832 k( 419) = ( 0.5000000 0.2886751 0.4691038), wk = 0.0018832 k( 420) = ( 0.5000000 0.2886751 0.4599057), wk = 0.0018832 k( 421) = ( 0.5000000 0.2886751 0.4507075), wk = 0.0018832 k( 422) = ( 0.5000000 0.2886751 0.4415094), wk = 0.0018832 k( 423) = ( 0.5000000 0.2886751 0.4323113), wk = 0.0018832 k( 424) = ( 0.5000000 0.2886751 0.4231132), wk = 0.0018832 k( 425) = ( 0.5000000 0.2886751 0.4139151), wk = 0.0018832 k( 426) = ( 0.5000000 0.2886751 0.4047170), wk = 0.0018832 k( 427) = ( 0.5000000 0.2886751 0.3955189), wk = 0.0018832 k( 428) = ( 0.5000000 0.2886751 0.3863208), wk = 0.0018832 k( 429) = ( 0.5000000 0.2886751 0.3771226), wk = 0.0018832 k( 430) = ( 0.5000000 0.2886751 0.3679245), wk = 0.0018832 k( 431) = ( 0.5000000 0.2886751 0.3587264), wk = 0.0018832 k( 432) = ( 0.5000000 0.2886751 0.3495283), wk = 0.0018832 k( 433) = ( 0.5000000 0.2886751 0.3403302), wk = 0.0018832 k( 434) = ( 0.5000000 0.2886751 0.3311321), wk = 0.0018832 k( 435) = ( 0.5000000 0.2886751 0.3219340), wk = 0.0018832 k( 436) = ( 0.5000000 0.2886751 0.3127358), wk = 0.0018832 k( 437) = ( 0.5000000 0.2886751 0.3035377), wk = 0.0018832 k( 438) = ( 0.5000000 0.2886751 0.2943396), wk = 0.0018832 k( 439) = ( 0.5000000 0.2886751 0.2851415), wk = 0.0018832 k( 440) = ( 0.5000000 0.2886751 0.2759434), wk = 0.0018832 k( 441) = ( 0.5000000 0.2886751 0.2667453), wk = 0.0018832 k( 442) = ( 0.5000000 0.2886751 0.2575472), wk = 0.0018832 k( 443) = ( 0.5000000 0.2886751 0.2483491), wk = 0.0018832 k( 444) = ( 0.5000000 0.2886751 0.2391509), wk = 0.0018832 k( 445) = ( 0.5000000 0.2886751 0.2299528), wk = 0.0018832 k( 446) = ( 0.5000000 0.2886751 0.2207547), wk = 0.0018832 k( 447) = ( 0.5000000 0.2886751 0.2115566), wk = 0.0018832 k( 448) = ( 0.5000000 0.2886751 0.2023585), wk = 0.0018832 k( 449) = ( 0.5000000 0.2886751 0.1931604), wk = 0.0018832 k( 450) = ( 0.5000000 0.2886751 0.1839623), wk = 0.0018832 k( 451) = ( 0.5000000 0.2886751 0.1747641), wk = 0.0018832 k( 452) = ( 0.5000000 0.2886751 0.1655660), wk = 0.0018832 k( 453) = ( 0.5000000 0.2886751 0.1563679), wk = 0.0018832 k( 454) = ( 0.5000000 0.2886751 0.1471698), wk = 0.0018832 k( 455) = ( 0.5000000 0.2886751 0.1379717), wk = 0.0018832 k( 456) = ( 0.5000000 0.2886751 0.1287736), wk = 0.0018832 k( 457) = ( 0.5000000 0.2886751 0.1195755), wk = 0.0018832 k( 458) = ( 0.5000000 0.2886751 0.1103774), wk = 0.0018832 k( 459) = ( 0.5000000 0.2886751 0.1011792), wk = 0.0018832 k( 460) = ( 0.5000000 0.2886751 0.0919811), wk = 0.0018832 k( 461) = ( 0.5000000 0.2886751 0.0827830), wk = 0.0018832 k( 462) = ( 0.5000000 0.2886751 0.0735849), wk = 0.0018832 k( 463) = ( 0.5000000 0.2886751 0.0643868), wk = 0.0018832 k( 464) = ( 0.5000000 0.2886751 0.0551887), wk = 0.0018832 k( 465) = ( 0.5000000 0.2886751 0.0459906), wk = 0.0018832 k( 466) = ( 0.5000000 0.2886751 0.0367924), wk = 0.0018832 k( 467) = ( 0.5000000 0.2886751 0.0275943), wk = 0.0018832 k( 468) = ( 0.5000000 0.2886751 0.0183962), wk = 0.0018832 k( 469) = ( 0.5000000 0.2886751 0.0091981), wk = 0.0018832 k( 470) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0018832 k( 471) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0018832 k( 472) = ( 0.3333333 0.5773503 0.0091981), wk = 0.0018832 k( 473) = ( 0.3333333 0.5773503 0.0183962), wk = 0.0018832 k( 474) = ( 0.3333333 0.5773503 0.0275943), wk = 0.0018832 k( 475) = ( 0.3333333 0.5773503 0.0367924), wk = 0.0018832 k( 476) = ( 0.3333333 0.5773503 0.0459906), wk = 0.0018832 k( 477) = ( 0.3333333 0.5773503 0.0551887), wk = 0.0018832 k( 478) = ( 0.3333333 0.5773503 0.0643868), wk = 0.0018832 k( 479) = ( 0.3333333 0.5773503 0.0735849), wk = 0.0018832 k( 480) = ( 0.3333333 0.5773503 0.0827830), wk = 0.0018832 k( 481) = ( 0.3333333 0.5773503 0.0919811), wk = 0.0018832 k( 482) = ( 0.3333333 0.5773503 0.1011792), wk = 0.0018832 k( 483) = ( 0.3333333 0.5773503 0.1103774), wk = 0.0018832 k( 484) = ( 0.3333333 0.5773503 0.1195755), wk = 0.0018832 k( 485) = ( 0.3333333 0.5773503 0.1287736), wk = 0.0018832 k( 486) = ( 0.3333333 0.5773503 0.1379717), wk = 0.0018832 k( 487) = ( 0.3333333 0.5773503 0.1471698), wk = 0.0018832 k( 488) = ( 0.3333333 0.5773503 0.1563679), wk = 0.0018832 k( 489) = ( 0.3333333 0.5773503 0.1655660), wk = 0.0018832 k( 490) = ( 0.3333333 0.5773503 0.1747641), wk = 0.0018832 k( 491) = ( 0.3333333 0.5773503 0.1839623), wk = 0.0018832 k( 492) = ( 0.3333333 0.5773503 0.1931604), wk = 0.0018832 k( 493) = ( 0.3333333 0.5773503 0.2023585), wk = 0.0018832 k( 494) = ( 0.3333333 0.5773503 0.2115566), wk = 0.0018832 k( 495) = ( 0.3333333 0.5773503 0.2207547), wk = 0.0018832 k( 496) = ( 0.3333333 0.5773503 0.2299528), wk = 0.0018832 k( 497) = ( 0.3333333 0.5773503 0.2391509), wk = 0.0018832 k( 498) = ( 0.3333333 0.5773503 0.2483491), wk = 0.0018832 k( 499) = ( 0.3333333 0.5773503 0.2575472), wk = 0.0018832 k( 500) = ( 0.3333333 0.5773503 0.2667453), wk = 0.0018832 k( 501) = ( 0.3333333 0.5773503 0.2759434), wk = 0.0018832 k( 502) = ( 0.3333333 0.5773503 0.2851415), wk = 0.0018832 k( 503) = ( 0.3333333 0.5773503 0.2943396), wk = 0.0018832 k( 504) = ( 0.3333333 0.5773503 0.3035377), wk = 0.0018832 k( 505) = ( 0.3333333 0.5773503 0.3127358), wk = 0.0018832 k( 506) = ( 0.3333333 0.5773503 0.3219340), wk = 0.0018832 k( 507) = ( 0.3333333 0.5773503 0.3311321), wk = 0.0018832 k( 508) = ( 0.3333333 0.5773503 0.3403302), wk = 0.0018832 k( 509) = ( 0.3333333 0.5773503 0.3495283), wk = 0.0018832 k( 510) = ( 0.3333333 0.5773503 0.3587264), wk = 0.0018832 k( 511) = ( 0.3333333 0.5773503 0.3679245), wk = 0.0018832 k( 512) = ( 0.3333333 0.5773503 0.3771226), wk = 0.0018832 k( 513) = ( 0.3333333 0.5773503 0.3863208), wk = 0.0018832 k( 514) = ( 0.3333333 0.5773503 0.3955189), wk = 0.0018832 k( 515) = ( 0.3333333 0.5773503 0.4047170), wk = 0.0018832 k( 516) = ( 0.3333333 0.5773503 0.4139151), wk = 0.0018832 k( 517) = ( 0.3333333 0.5773503 0.4231132), wk = 0.0018832 k( 518) = ( 0.3333333 0.5773503 0.4323113), wk = 0.0018832 k( 519) = ( 0.3333333 0.5773503 0.4415094), wk = 0.0018832 k( 520) = ( 0.3333333 0.5773503 0.4507075), wk = 0.0018832 k( 521) = ( 0.3333333 0.5773503 0.4599057), wk = 0.0018832 k( 522) = ( 0.3333333 0.5773503 0.4691038), wk = 0.0018832 k( 523) = ( 0.3333333 0.5773503 0.4783019), wk = 0.0018832 k( 524) = ( 0.3333333 0.5773503 0.4875000), wk = 0.0018832 k( 525) = ( 0.3333333 0.5773503 0.4966981), wk = 0.0018832 k( 526) = ( 0.3333333 0.5773503 0.5058962), wk = 0.0018832 k( 527) = ( 0.3333333 0.5773503 0.5150943), wk = 0.0018832 k( 528) = ( 0.3333333 0.5773503 0.5242925), wk = 0.0018832 k( 529) = ( 0.3333333 0.5773503 0.5334906), wk = 0.0018832 k( 530) = ( 0.3333333 0.5773503 0.5426887), wk = 0.0018832 k( 531) = ( 0.3333333 0.5773503 0.5518868), wk = 0.0018832 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018832 k( 2) = ( 0.0079365 0.0000000 0.0000000), wk = 0.0018832 k( 3) = ( 0.0158730 0.0000000 0.0000000), wk = 0.0018832 k( 4) = ( 0.0238095 0.0000000 0.0000000), wk = 0.0018832 k( 5) = ( 0.0317460 0.0000000 0.0000000), wk = 0.0018832 k( 6) = ( 0.0396825 0.0000000 0.0000000), wk = 0.0018832 k( 7) = ( 0.0476191 0.0000000 0.0000000), wk = 0.0018832 k( 8) = ( 0.0555556 0.0000000 -0.0000000), wk = 0.0018832 k( 9) = ( 0.0634921 0.0000000 0.0000000), wk = 0.0018832 k( 10) = ( 0.0714286 0.0000000 -0.0000000), wk = 0.0018832 k( 11) = ( 0.0793651 0.0000000 0.0000000), wk = 0.0018832 k( 12) = ( 0.0873016 0.0000000 0.0000000), wk = 0.0018832 k( 13) = ( 0.0952381 0.0000000 0.0000000), wk = 0.0018832 k( 14) = ( 0.1031746 0.0000000 0.0000000), wk = 0.0018832 k( 15) = ( 0.1111111 0.0000000 -0.0000000), wk = 0.0018832 k( 16) = ( 0.1190476 0.0000000 0.0000000), wk = 0.0018832 k( 17) = ( 0.1269841 0.0000000 0.0000000), wk = 0.0018832 k( 18) = ( 0.1349206 0.0000000 0.0000000), wk = 0.0018832 k( 19) = ( 0.1428571 0.0000000 -0.0000000), wk = 0.0018832 k( 20) = ( 0.1507937 0.0000000 0.0000000), wk = 0.0018832 k( 21) = ( 0.1587302 0.0000000 0.0000000), wk = 0.0018832 k( 22) = ( 0.1666667 0.0000000 0.0000000), wk = 0.0018832 k( 23) = ( 0.1746032 0.0000000 0.0000000), wk = 0.0018832 k( 24) = ( 0.1825397 0.0000000 0.0000000), wk = 0.0018832 k( 25) = ( 0.1904762 0.0000000 0.0000000), wk = 0.0018832 k( 26) = ( 0.1984127 0.0000000 0.0000000), wk = 0.0018832 k( 27) = ( 0.2063492 0.0000000 0.0000000), wk = 0.0018832 k( 28) = ( 0.2142857 0.0000000 -0.0000000), wk = 0.0018832 k( 29) = ( 0.2222222 0.0000000 -0.0000000), wk = 0.0018832 k( 30) = ( 0.2301587 0.0000000 0.0000000), wk = 0.0018832 k( 31) = ( 0.2380952 0.0000000 0.0000000), wk = 0.0018832 k( 32) = ( 0.2460317 0.0000000 0.0000000), wk = 0.0018832 k( 33) = ( 0.2539683 0.0000000 0.0000000), wk = 0.0018832 k( 34) = ( 0.2619048 0.0000000 0.0000000), wk = 0.0018832 k( 35) = ( 0.2698413 0.0000000 0.0000000), wk = 0.0018832 k( 36) = ( 0.2777778 0.0000000 -0.0000000), wk = 0.0018832 k( 37) = ( 0.2857143 0.0000000 0.0000000), wk = 0.0018832 k( 38) = ( 0.2936508 0.0000000 0.0000000), wk = 0.0018832 k( 39) = ( 0.3015873 0.0000000 0.0000000), wk = 0.0018832 k( 40) = ( 0.3095238 0.0000000 0.0000000), wk = 0.0018832 k( 41) = ( 0.3174603 0.0000000 0.0000000), wk = 0.0018832 k( 42) = ( 0.3253968 0.0000000 -0.0000000), wk = 0.0018832 k( 43) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0018832 k( 44) = ( 0.3412698 0.0000000 0.0000000), wk = 0.0018832 k( 45) = ( 0.3492063 0.0000000 0.0000000), wk = 0.0018832 k( 46) = ( 0.3571429 0.0000000 0.0000000), wk = 0.0018832 k( 47) = ( 0.3650794 0.0000000 0.0000000), wk = 0.0018832 k( 48) = ( 0.3730159 0.0000000 -0.0000000), wk = 0.0018832 k( 49) = ( 0.3809524 0.0000000 0.0000000), wk = 0.0018832 k( 50) = ( 0.3888889 0.0000000 0.0000000), wk = 0.0018832 k( 51) = ( 0.3968254 0.0000000 0.0000000), wk = 0.0018832 k( 52) = ( 0.4047619 0.0000000 0.0000000), wk = 0.0018832 k( 53) = ( 0.4126984 0.0000000 0.0000000), wk = 0.0018832 k( 54) = ( 0.4206349 0.0000000 0.0000000), wk = 0.0018832 k( 55) = ( 0.4285714 0.0000000 0.0000000), wk = 0.0018832 k( 56) = ( 0.4365079 0.0000000 0.0000000), wk = 0.0018832 k( 57) = ( 0.4444444 0.0000000 -0.0000000), wk = 0.0018832 k( 58) = ( 0.4523810 0.0000000 0.0000000), wk = 0.0018832 k( 59) = ( 0.4603175 0.0000000 0.0000000), wk = 0.0018832 k( 60) = ( 0.4682540 0.0000000 0.0000000), wk = 0.0018832 k( 61) = ( 0.4761905 0.0000000 0.0000000), wk = 0.0018832 k( 62) = ( 0.4841270 0.0000000 0.0000000), wk = 0.0018832 k( 63) = ( 0.4920635 0.0000000 0.0000000), wk = 0.0018832 k( 64) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0018832 k( 65) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0018832 k( 66) = ( 0.4953704 0.0092593 0.0000000), wk = 0.0018832 k( 67) = ( 0.4907407 0.0185185 0.0000000), wk = 0.0018832 k( 68) = ( 0.4861111 0.0277778 0.0000000), wk = 0.0018832 k( 69) = ( 0.4814815 0.0370370 -0.0000000), wk = 0.0018832 k( 70) = ( 0.4768519 0.0462963 0.0000000), wk = 0.0018832 k( 71) = ( 0.4722222 0.0555556 -0.0000000), wk = 0.0018832 k( 72) = ( 0.4675926 0.0648148 -0.0000000), wk = 0.0018832 k( 73) = ( 0.4629630 0.0740741 0.0000000), wk = 0.0018832 k( 74) = ( 0.4583333 0.0833333 0.0000000), wk = 0.0018832 k( 75) = ( 0.4537037 0.0925926 -0.0000000), wk = 0.0018832 k( 76) = ( 0.4490741 0.1018518 -0.0000000), wk = 0.0018832 k( 77) = ( 0.4444444 0.1111111 -0.0000000), wk = 0.0018832 k( 78) = ( 0.4398148 0.1203704 0.0000000), wk = 0.0018832 k( 79) = ( 0.4351852 0.1296296 0.0000000), wk = 0.0018832 k( 80) = ( 0.4305556 0.1388889 0.0000000), wk = 0.0018832 k( 81) = ( 0.4259259 0.1481482 0.0000000), wk = 0.0018832 k( 82) = ( 0.4212963 0.1574074 -0.0000000), wk = 0.0018832 k( 83) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0018832 k( 84) = ( 0.4120370 0.1759259 -0.0000000), wk = 0.0018832 k( 85) = ( 0.4074074 0.1851852 0.0000000), wk = 0.0018832 k( 86) = ( 0.4027778 0.1944444 0.0000000), wk = 0.0018832 k( 87) = ( 0.3981481 0.2037037 0.0000000), wk = 0.0018832 k( 88) = ( 0.3935185 0.2129630 0.0000000), wk = 0.0018832 k( 89) = ( 0.3888889 0.2222222 0.0000000), wk = 0.0018832 k( 90) = ( 0.3842593 0.2314815 -0.0000000), wk = 0.0018832 k( 91) = ( 0.3796296 0.2407407 -0.0000000), wk = 0.0018832 k( 92) = ( 0.3750000 0.2500000 0.0000000), wk = 0.0018832 k( 93) = ( 0.3703704 0.2592593 0.0000000), wk = 0.0018832 k( 94) = ( 0.3657407 0.2685185 -0.0000000), wk = 0.0018832 k( 95) = ( 0.3611111 0.2777778 -0.0000000), wk = 0.0018832 k( 96) = ( 0.3564815 0.2870370 -0.0000000), wk = 0.0018832 k( 97) = ( 0.3518519 0.2962963 0.0000000), wk = 0.0018832 k( 98) = ( 0.3472222 0.3055556 -0.0000000), wk = 0.0018832 k( 99) = ( 0.3425926 0.3148148 0.0000000), wk = 0.0018832 k( 100) = ( 0.3379630 0.3240741 0.0000000), wk = 0.0018832 k( 101) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0018832 k( 102) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0018832 k( 103) = ( 0.3287037 0.3287037 0.0000000), wk = 0.0018832 k( 104) = ( 0.3240741 0.3240741 -0.0000000), wk = 0.0018832 k( 105) = ( 0.3194444 0.3194444 0.0000000), wk = 0.0018832 k( 106) = ( 0.3148148 0.3148148 0.0000000), wk = 0.0018832 k( 107) = ( 0.3101852 0.3101852 -0.0000000), wk = 0.0018832 k( 108) = ( 0.3055556 0.3055556 -0.0000000), wk = 0.0018832 k( 109) = ( 0.3009259 0.3009259 -0.0000000), wk = 0.0018832 k( 110) = ( 0.2962963 0.2962963 -0.0000000), wk = 0.0018832 k( 111) = ( 0.2916667 0.2916667 -0.0000000), wk = 0.0018832 k( 112) = ( 0.2870370 0.2870370 -0.0000000), wk = 0.0018832 k( 113) = ( 0.2824074 0.2824074 -0.0000000), wk = 0.0018832 k( 114) = ( 0.2777778 0.2777778 -0.0000000), wk = 0.0018832 k( 115) = ( 0.2731481 0.2731482 0.0000000), wk = 0.0018832 k( 116) = ( 0.2685185 0.2685185 0.0000000), wk = 0.0018832 k( 117) = ( 0.2638889 0.2638889 0.0000000), wk = 0.0018832 k( 118) = ( 0.2592593 0.2592593 0.0000000), wk = 0.0018832 k( 119) = ( 0.2546296 0.2546296 0.0000000), wk = 0.0018832 k( 120) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0018832 k( 121) = ( 0.2453704 0.2453704 0.0000000), wk = 0.0018832 k( 122) = ( 0.2407407 0.2407407 0.0000000), wk = 0.0018832 k( 123) = ( 0.2361111 0.2361111 -0.0000000), wk = 0.0018832 k( 124) = ( 0.2314815 0.2314815 0.0000000), wk = 0.0018832 k( 125) = ( 0.2268518 0.2268519 0.0000000), wk = 0.0018832 k( 126) = ( 0.2222222 0.2222222 -0.0000000), wk = 0.0018832 k( 127) = ( 0.2175926 0.2175926 -0.0000000), wk = 0.0018832 k( 128) = ( 0.2129630 0.2129630 0.0000000), wk = 0.0018832 k( 129) = ( 0.2083333 0.2083333 -0.0000000), wk = 0.0018832 k( 130) = ( 0.2037037 0.2037037 0.0000000), wk = 0.0018832 k( 131) = ( 0.1990741 0.1990741 0.0000000), wk = 0.0018832 k( 132) = ( 0.1944444 0.1944444 -0.0000000), wk = 0.0018832 k( 133) = ( 0.1898148 0.1898148 -0.0000000), wk = 0.0018832 k( 134) = ( 0.1851852 0.1851852 -0.0000000), wk = 0.0018832 k( 135) = ( 0.1805556 0.1805556 -0.0000000), wk = 0.0018832 k( 136) = ( 0.1759259 0.1759259 0.0000000), wk = 0.0018832 k( 137) = ( 0.1712963 0.1712963 0.0000000), wk = 0.0018832 k( 138) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0018832 k( 139) = ( 0.1620370 0.1620370 0.0000000), wk = 0.0018832 k( 140) = ( 0.1574074 0.1574074 -0.0000000), wk = 0.0018832 k( 141) = ( 0.1527778 0.1527778 -0.0000000), wk = 0.0018832 k( 142) = ( 0.1481482 0.1481482 -0.0000000), wk = 0.0018832 k( 143) = ( 0.1435185 0.1435185 -0.0000000), wk = 0.0018832 k( 144) = ( 0.1388889 0.1388889 -0.0000000), wk = 0.0018832 k( 145) = ( 0.1342593 0.1342593 0.0000000), wk = 0.0018832 k( 146) = ( 0.1296296 0.1296296 0.0000000), wk = 0.0018832 k( 147) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0018832 k( 148) = ( 0.1203704 0.1203704 0.0000000), wk = 0.0018832 k( 149) = ( 0.1157407 0.1157407 0.0000000), wk = 0.0018832 k( 150) = ( 0.1111111 0.1111111 -0.0000000), wk = 0.0018832 k( 151) = ( 0.1064815 0.1064815 0.0000000), wk = 0.0018832 k( 152) = ( 0.1018518 0.1018518 0.0000000), wk = 0.0018832 k( 153) = ( 0.0972222 0.0972222 -0.0000000), wk = 0.0018832 k( 154) = ( 0.0925926 0.0925926 0.0000000), wk = 0.0018832 k( 155) = ( 0.0879630 0.0879630 0.0000000), wk = 0.0018832 k( 156) = ( 0.0833333 0.0833333 0.0000000), wk = 0.0018832 k( 157) = ( 0.0787037 0.0787037 0.0000000), wk = 0.0018832 k( 158) = ( 0.0740741 0.0740741 0.0000000), wk = 0.0018832 k( 159) = ( 0.0694444 0.0694444 0.0000000), wk = 0.0018832 k( 160) = ( 0.0648148 0.0648148 0.0000000), wk = 0.0018832 k( 161) = ( 0.0601852 0.0601852 0.0000000), wk = 0.0018832 k( 162) = ( 0.0555556 0.0555556 0.0000000), wk = 0.0018832 k( 163) = ( 0.0509259 0.0509259 -0.0000000), wk = 0.0018832 k( 164) = ( 0.0462963 0.0462963 0.0000000), wk = 0.0018832 k( 165) = ( 0.0416667 0.0416667 0.0000000), wk = 0.0018832 k( 166) = ( 0.0370370 0.0370370 -0.0000000), wk = 0.0018832 k( 167) = ( 0.0324074 0.0324074 -0.0000000), wk = 0.0018832 k( 168) = ( 0.0277778 0.0277778 0.0000000), wk = 0.0018832 k( 169) = ( 0.0231481 0.0231481 0.0000000), wk = 0.0018832 k( 170) = ( 0.0185185 0.0185185 -0.0000000), wk = 0.0018832 k( 171) = ( 0.0138889 0.0138889 0.0000000), wk = 0.0018832 k( 172) = ( 0.0092593 0.0092593 -0.0000000), wk = 0.0018832 k( 173) = ( 0.0046296 0.0046296 -0.0000000), wk = 0.0018832 k( 174) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018832 k( 175) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018832 k( 176) = ( 0.0000000 0.0000000 0.0083333), wk = 0.0018832 k( 177) = ( 0.0000000 0.0000000 0.0166667), wk = 0.0018832 k( 178) = ( 0.0000000 0.0000000 0.0250000), wk = 0.0018832 k( 179) = ( 0.0000000 0.0000000 0.0333333), wk = 0.0018832 k( 180) = ( 0.0000000 0.0000000 0.0416667), wk = 0.0018832 k( 181) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0018832 k( 182) = ( 0.0000000 0.0000000 0.0583333), wk = 0.0018832 k( 183) = ( 0.0000000 0.0000000 0.0666667), wk = 0.0018832 k( 184) = ( 0.0000000 0.0000000 0.0750000), wk = 0.0018832 k( 185) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0018832 k( 186) = ( 0.0000000 0.0000000 0.0916667), wk = 0.0018832 k( 187) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0018832 k( 188) = ( 0.0000000 0.0000000 0.1083333), wk = 0.0018832 k( 189) = ( 0.0000000 0.0000000 0.1166667), wk = 0.0018832 k( 190) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0018832 k( 191) = ( 0.0000000 0.0000000 0.1333333), wk = 0.0018832 k( 192) = ( 0.0000000 0.0000000 0.1416667), wk = 0.0018832 k( 193) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0018832 k( 194) = ( 0.0000000 0.0000000 0.1583333), wk = 0.0018832 k( 195) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0018832 k( 196) = ( 0.0000000 0.0000000 0.1750000), wk = 0.0018832 k( 197) = ( 0.0000000 0.0000000 0.1833333), wk = 0.0018832 k( 198) = ( 0.0000000 0.0000000 0.1916667), wk = 0.0018832 k( 199) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0018832 k( 200) = ( 0.0000000 0.0000000 0.2083333), wk = 0.0018832 k( 201) = ( 0.0000000 0.0000000 0.2166667), wk = 0.0018832 k( 202) = ( 0.0000000 0.0000000 0.2250000), wk = 0.0018832 k( 203) = ( 0.0000000 0.0000000 0.2333333), wk = 0.0018832 k( 204) = ( 0.0000000 0.0000000 0.2416667), wk = 0.0018832 k( 205) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0018832 k( 206) = ( 0.0000000 0.0000000 0.2583333), wk = 0.0018832 k( 207) = ( 0.0000000 0.0000000 0.2666667), wk = 0.0018832 k( 208) = ( 0.0000000 0.0000000 0.2750000), wk = 0.0018832 k( 209) = ( 0.0000000 0.0000000 0.2833333), wk = 0.0018832 k( 210) = ( 0.0000000 0.0000000 0.2916667), wk = 0.0018832 k( 211) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0018832 k( 212) = ( 0.0000000 0.0000000 0.3083333), wk = 0.0018832 k( 213) = ( 0.0000000 0.0000000 0.3166667), wk = 0.0018832 k( 214) = ( 0.0000000 0.0000000 0.3250000), wk = 0.0018832 k( 215) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0018832 k( 216) = ( 0.0000000 0.0000000 0.3416667), wk = 0.0018832 k( 217) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0018832 k( 218) = ( 0.0000000 0.0000000 0.3583333), wk = 0.0018832 k( 219) = ( 0.0000000 0.0000000 0.3666667), wk = 0.0018832 k( 220) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0018832 k( 221) = ( 0.0000000 0.0000000 0.3833333), wk = 0.0018832 k( 222) = ( 0.0000000 0.0000000 0.3916667), wk = 0.0018832 k( 223) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0018832 k( 224) = ( 0.0000000 0.0000000 0.4083333), wk = 0.0018832 k( 225) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0018832 k( 226) = ( 0.0000000 0.0000000 0.4250000), wk = 0.0018832 k( 227) = ( 0.0000000 0.0000000 0.4333333), wk = 0.0018832 k( 228) = ( 0.0000000 0.0000000 0.4416667), wk = 0.0018832 k( 229) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0018832 k( 230) = ( 0.0000000 0.0000000 0.4583333), wk = 0.0018832 k( 231) = ( 0.0000000 0.0000000 0.4666667), wk = 0.0018832 k( 232) = ( 0.0000000 0.0000000 0.4750000), wk = 0.0018832 k( 233) = ( 0.0000000 0.0000000 0.4833333), wk = 0.0018832 k( 234) = ( 0.0000000 0.0000000 0.4916667), wk = 0.0018832 k( 235) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0018832 k( 236) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0018832 k( 237) = ( 0.0079365 0.0000000 0.5000000), wk = 0.0018832 k( 238) = ( 0.0158730 0.0000000 0.5000000), wk = 0.0018832 k( 239) = ( 0.0238095 0.0000000 0.5000000), wk = 0.0018832 k( 240) = ( 0.0317460 0.0000000 0.5000000), wk = 0.0018832 k( 241) = ( 0.0396825 0.0000000 0.5000000), wk = 0.0018832 k( 242) = ( 0.0476191 0.0000000 0.5000000), wk = 0.0018832 k( 243) = ( 0.0555556 0.0000000 0.5000000), wk = 0.0018832 k( 244) = ( 0.0634921 0.0000000 0.5000000), wk = 0.0018832 k( 245) = ( 0.0714286 0.0000000 0.5000000), wk = 0.0018832 k( 246) = ( 0.0793651 0.0000000 0.5000000), wk = 0.0018832 k( 247) = ( 0.0873016 0.0000000 0.5000000), wk = 0.0018832 k( 248) = ( 0.0952381 0.0000000 0.5000000), wk = 0.0018832 k( 249) = ( 0.1031746 0.0000000 0.5000000), wk = 0.0018832 k( 250) = ( 0.1111111 0.0000000 0.5000000), wk = 0.0018832 k( 251) = ( 0.1190476 0.0000000 0.5000000), wk = 0.0018832 k( 252) = ( 0.1269841 0.0000000 0.5000000), wk = 0.0018832 k( 253) = ( 0.1349206 0.0000000 0.5000000), wk = 0.0018832 k( 254) = ( 0.1428571 0.0000000 0.5000000), wk = 0.0018832 k( 255) = ( 0.1507937 0.0000000 0.5000000), wk = 0.0018832 k( 256) = ( 0.1587302 0.0000000 0.5000000), wk = 0.0018832 k( 257) = ( 0.1666667 0.0000000 0.5000000), wk = 0.0018832 k( 258) = ( 0.1746032 0.0000000 0.5000000), wk = 0.0018832 k( 259) = ( 0.1825397 0.0000000 0.5000000), wk = 0.0018832 k( 260) = ( 0.1904762 0.0000000 0.5000000), wk = 0.0018832 k( 261) = ( 0.1984127 0.0000000 0.5000000), wk = 0.0018832 k( 262) = ( 0.2063492 0.0000000 0.5000000), wk = 0.0018832 k( 263) = ( 0.2142857 0.0000000 0.5000000), wk = 0.0018832 k( 264) = ( 0.2222222 0.0000000 0.5000000), wk = 0.0018832 k( 265) = ( 0.2301587 0.0000000 0.5000000), wk = 0.0018832 k( 266) = ( 0.2380952 0.0000000 0.5000000), wk = 0.0018832 k( 267) = ( 0.2460317 0.0000000 0.5000000), wk = 0.0018832 k( 268) = ( 0.2539683 0.0000000 0.5000000), wk = 0.0018832 k( 269) = ( 0.2619048 0.0000000 0.5000000), wk = 0.0018832 k( 270) = ( 0.2698413 0.0000000 0.5000000), wk = 0.0018832 k( 271) = ( 0.2777778 0.0000000 0.5000000), wk = 0.0018832 k( 272) = ( 0.2857143 0.0000000 0.5000000), wk = 0.0018832 k( 273) = ( 0.2936508 0.0000000 0.5000000), wk = 0.0018832 k( 274) = ( 0.3015873 0.0000000 0.5000000), wk = 0.0018832 k( 275) = ( 0.3095238 0.0000000 0.5000000), wk = 0.0018832 k( 276) = ( 0.3174603 0.0000000 0.5000000), wk = 0.0018832 k( 277) = ( 0.3253968 0.0000000 0.5000000), wk = 0.0018832 k( 278) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0018832 k( 279) = ( 0.3412698 0.0000000 0.5000000), wk = 0.0018832 k( 280) = ( 0.3492063 0.0000000 0.5000000), wk = 0.0018832 k( 281) = ( 0.3571429 0.0000000 0.5000000), wk = 0.0018832 k( 282) = ( 0.3650794 0.0000000 0.5000000), wk = 0.0018832 k( 283) = ( 0.3730159 0.0000000 0.5000000), wk = 0.0018832 k( 284) = ( 0.3809524 0.0000000 0.5000000), wk = 0.0018832 k( 285) = ( 0.3888889 0.0000000 0.5000000), wk = 0.0018832 k( 286) = ( 0.3968254 0.0000000 0.5000000), wk = 0.0018832 k( 287) = ( 0.4047619 0.0000000 0.5000000), wk = 0.0018832 k( 288) = ( 0.4126984 0.0000000 0.5000000), wk = 0.0018832 k( 289) = ( 0.4206349 0.0000000 0.5000000), wk = 0.0018832 k( 290) = ( 0.4285714 0.0000000 0.5000000), wk = 0.0018832 k( 291) = ( 0.4365079 0.0000000 0.5000000), wk = 0.0018832 k( 292) = ( 0.4444444 0.0000000 0.5000000), wk = 0.0018832 k( 293) = ( 0.4523810 0.0000000 0.5000000), wk = 0.0018832 k( 294) = ( 0.4603175 0.0000000 0.5000000), wk = 0.0018832 k( 295) = ( 0.4682540 0.0000000 0.5000000), wk = 0.0018832 k( 296) = ( 0.4761905 0.0000000 0.5000000), wk = 0.0018832 k( 297) = ( 0.4841270 0.0000000 0.5000000), wk = 0.0018832 k( 298) = ( 0.4920635 0.0000000 0.5000000), wk = 0.0018832 k( 299) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0018832 k( 300) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0018832 k( 301) = ( 0.4953704 0.0092593 0.5000000), wk = 0.0018832 k( 302) = ( 0.4907407 0.0185185 0.5000000), wk = 0.0018832 k( 303) = ( 0.4861111 0.0277778 0.5000000), wk = 0.0018832 k( 304) = ( 0.4814815 0.0370370 0.5000000), wk = 0.0018832 k( 305) = ( 0.4768519 0.0462963 0.5000000), wk = 0.0018832 k( 306) = ( 0.4722222 0.0555556 0.5000000), wk = 0.0018832 k( 307) = ( 0.4675926 0.0648148 0.5000000), wk = 0.0018832 k( 308) = ( 0.4629630 0.0740741 0.5000000), wk = 0.0018832 k( 309) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0018832 k( 310) = ( 0.4537037 0.0925926 0.5000000), wk = 0.0018832 k( 311) = ( 0.4490741 0.1018518 0.5000000), wk = 0.0018832 k( 312) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0018832 k( 313) = ( 0.4398148 0.1203704 0.5000000), wk = 0.0018832 k( 314) = ( 0.4351852 0.1296296 0.5000000), wk = 0.0018832 k( 315) = ( 0.4305556 0.1388889 0.5000000), wk = 0.0018832 k( 316) = ( 0.4259259 0.1481482 0.5000000), wk = 0.0018832 k( 317) = ( 0.4212963 0.1574074 0.5000000), wk = 0.0018832 k( 318) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0018832 k( 319) = ( 0.4120370 0.1759259 0.5000000), wk = 0.0018832 k( 320) = ( 0.4074074 0.1851852 0.5000000), wk = 0.0018832 k( 321) = ( 0.4027778 0.1944444 0.5000000), wk = 0.0018832 k( 322) = ( 0.3981481 0.2037037 0.5000000), wk = 0.0018832 k( 323) = ( 0.3935185 0.2129630 0.5000000), wk = 0.0018832 k( 324) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0018832 k( 325) = ( 0.3842593 0.2314815 0.5000000), wk = 0.0018832 k( 326) = ( 0.3796296 0.2407407 0.5000000), wk = 0.0018832 k( 327) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0018832 k( 328) = ( 0.3703704 0.2592593 0.5000000), wk = 0.0018832 k( 329) = ( 0.3657407 0.2685185 0.5000000), wk = 0.0018832 k( 330) = ( 0.3611111 0.2777778 0.5000000), wk = 0.0018832 k( 331) = ( 0.3564815 0.2870370 0.5000000), wk = 0.0018832 k( 332) = ( 0.3518519 0.2962963 0.5000000), wk = 0.0018832 k( 333) = ( 0.3472222 0.3055556 0.5000000), wk = 0.0018832 k( 334) = ( 0.3425926 0.3148148 0.5000000), wk = 0.0018832 k( 335) = ( 0.3379630 0.3240741 0.5000000), wk = 0.0018832 k( 336) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0018832 k( 337) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0018832 k( 338) = ( 0.3287037 0.3287037 0.5000000), wk = 0.0018832 k( 339) = ( 0.3240741 0.3240741 0.5000000), wk = 0.0018832 k( 340) = ( 0.3194444 0.3194444 0.5000000), wk = 0.0018832 k( 341) = ( 0.3148148 0.3148148 0.5000000), wk = 0.0018832 k( 342) = ( 0.3101852 0.3101852 0.5000000), wk = 0.0018832 k( 343) = ( 0.3055556 0.3055556 0.5000000), wk = 0.0018832 k( 344) = ( 0.3009259 0.3009259 0.5000000), wk = 0.0018832 k( 345) = ( 0.2962963 0.2962963 0.5000000), wk = 0.0018832 k( 346) = ( 0.2916667 0.2916667 0.5000000), wk = 0.0018832 k( 347) = ( 0.2870370 0.2870370 0.5000000), wk = 0.0018832 k( 348) = ( 0.2824074 0.2824074 0.5000000), wk = 0.0018832 k( 349) = ( 0.2777778 0.2777778 0.5000000), wk = 0.0018832 k( 350) = ( 0.2731481 0.2731482 0.5000000), wk = 0.0018832 k( 351) = ( 0.2685185 0.2685185 0.5000000), wk = 0.0018832 k( 352) = ( 0.2638889 0.2638889 0.5000000), wk = 0.0018832 k( 353) = ( 0.2592593 0.2592593 0.5000000), wk = 0.0018832 k( 354) = ( 0.2546296 0.2546296 0.5000000), wk = 0.0018832 k( 355) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0018832 k( 356) = ( 0.2453704 0.2453704 0.5000000), wk = 0.0018832 k( 357) = ( 0.2407407 0.2407407 0.5000000), wk = 0.0018832 k( 358) = ( 0.2361111 0.2361111 0.5000000), wk = 0.0018832 k( 359) = ( 0.2314815 0.2314815 0.5000000), wk = 0.0018832 k( 360) = ( 0.2268518 0.2268519 0.5000000), wk = 0.0018832 k( 361) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0018832 k( 362) = ( 0.2175926 0.2175926 0.5000000), wk = 0.0018832 k( 363) = ( 0.2129630 0.2129630 0.5000000), wk = 0.0018832 k( 364) = ( 0.2083333 0.2083333 0.5000000), wk = 0.0018832 k( 365) = ( 0.2037037 0.2037037 0.5000000), wk = 0.0018832 k( 366) = ( 0.1990741 0.1990741 0.5000000), wk = 0.0018832 k( 367) = ( 0.1944444 0.1944444 0.5000000), wk = 0.0018832 k( 368) = ( 0.1898148 0.1898148 0.5000000), wk = 0.0018832 k( 369) = ( 0.1851852 0.1851852 0.5000000), wk = 0.0018832 k( 370) = ( 0.1805556 0.1805556 0.5000000), wk = 0.0018832 k( 371) = ( 0.1759259 0.1759259 0.5000000), wk = 0.0018832 k( 372) = ( 0.1712963 0.1712963 0.5000000), wk = 0.0018832 k( 373) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0018832 k( 374) = ( 0.1620370 0.1620370 0.5000000), wk = 0.0018832 k( 375) = ( 0.1574074 0.1574074 0.5000000), wk = 0.0018832 k( 376) = ( 0.1527778 0.1527778 0.5000000), wk = 0.0018832 k( 377) = ( 0.1481482 0.1481482 0.5000000), wk = 0.0018832 k( 378) = ( 0.1435185 0.1435185 0.5000000), wk = 0.0018832 k( 379) = ( 0.1388889 0.1388889 0.5000000), wk = 0.0018832 k( 380) = ( 0.1342593 0.1342593 0.5000000), wk = 0.0018832 k( 381) = ( 0.1296296 0.1296296 0.5000000), wk = 0.0018832 k( 382) = ( 0.1250000 0.1250000 0.5000000), wk = 0.0018832 k( 383) = ( 0.1203704 0.1203704 0.5000000), wk = 0.0018832 k( 384) = ( 0.1157407 0.1157407 0.5000000), wk = 0.0018832 k( 385) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0018832 k( 386) = ( 0.1064815 0.1064815 0.5000000), wk = 0.0018832 k( 387) = ( 0.1018518 0.1018518 0.5000000), wk = 0.0018832 k( 388) = ( 0.0972222 0.0972222 0.5000000), wk = 0.0018832 k( 389) = ( 0.0925926 0.0925926 0.5000000), wk = 0.0018832 k( 390) = ( 0.0879630 0.0879630 0.5000000), wk = 0.0018832 k( 391) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0018832 k( 392) = ( 0.0787037 0.0787037 0.5000000), wk = 0.0018832 k( 393) = ( 0.0740741 0.0740741 0.5000000), wk = 0.0018832 k( 394) = ( 0.0694444 0.0694444 0.5000000), wk = 0.0018832 k( 395) = ( 0.0648148 0.0648148 0.5000000), wk = 0.0018832 k( 396) = ( 0.0601852 0.0601852 0.5000000), wk = 0.0018832 k( 397) = ( 0.0555556 0.0555556 0.5000000), wk = 0.0018832 k( 398) = ( 0.0509259 0.0509259 0.5000000), wk = 0.0018832 k( 399) = ( 0.0462963 0.0462963 0.5000000), wk = 0.0018832 k( 400) = ( 0.0416667 0.0416667 0.5000000), wk = 0.0018832 k( 401) = ( 0.0370370 0.0370370 0.5000000), wk = 0.0018832 k( 402) = ( 0.0324074 0.0324074 0.5000000), wk = 0.0018832 k( 403) = ( 0.0277778 0.0277778 0.5000000), wk = 0.0018832 k( 404) = ( 0.0231481 0.0231481 0.5000000), wk = 0.0018832 k( 405) = ( 0.0185185 0.0185185 0.5000000), wk = 0.0018832 k( 406) = ( 0.0138889 0.0138889 0.5000000), wk = 0.0018832 k( 407) = ( 0.0092593 0.0092593 0.5000000), wk = 0.0018832 k( 408) = ( 0.0046296 0.0046296 0.5000000), wk = 0.0018832 k( 409) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0018832 k( 410) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0018832 k( 411) = ( 0.5000000 0.0000000 0.4916667), wk = 0.0018832 k( 412) = ( 0.5000000 0.0000000 0.4833333), wk = 0.0018832 k( 413) = ( 0.5000000 0.0000000 0.4750000), wk = 0.0018832 k( 414) = ( 0.5000000 0.0000000 0.4666667), wk = 0.0018832 k( 415) = ( 0.5000000 0.0000000 0.4583333), wk = 0.0018832 k( 416) = ( 0.5000000 0.0000000 0.4500000), wk = 0.0018832 k( 417) = ( 0.5000000 0.0000000 0.4416667), wk = 0.0018832 k( 418) = ( 0.5000000 0.0000000 0.4333333), wk = 0.0018832 k( 419) = ( 0.5000000 0.0000000 0.4250000), wk = 0.0018832 k( 420) = ( 0.5000000 0.0000000 0.4166667), wk = 0.0018832 k( 421) = ( 0.5000000 0.0000000 0.4083333), wk = 0.0018832 k( 422) = ( 0.5000000 0.0000000 0.4000000), wk = 0.0018832 k( 423) = ( 0.5000000 0.0000000 0.3916667), wk = 0.0018832 k( 424) = ( 0.5000000 0.0000000 0.3833333), wk = 0.0018832 k( 425) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0018832 k( 426) = ( 0.5000000 0.0000000 0.3666667), wk = 0.0018832 k( 427) = ( 0.5000000 0.0000000 0.3583333), wk = 0.0018832 k( 428) = ( 0.5000000 0.0000000 0.3500000), wk = 0.0018832 k( 429) = ( 0.5000000 0.0000000 0.3416667), wk = 0.0018832 k( 430) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0018832 k( 431) = ( 0.5000000 0.0000000 0.3250000), wk = 0.0018832 k( 432) = ( 0.5000000 0.0000000 0.3166667), wk = 0.0018832 k( 433) = ( 0.5000000 0.0000000 0.3083333), wk = 0.0018832 k( 434) = ( 0.5000000 0.0000000 0.3000000), wk = 0.0018832 k( 435) = ( 0.5000000 0.0000000 0.2916667), wk = 0.0018832 k( 436) = ( 0.5000000 0.0000000 0.2833333), wk = 0.0018832 k( 437) = ( 0.5000000 0.0000000 0.2750000), wk = 0.0018832 k( 438) = ( 0.5000000 0.0000000 0.2666667), wk = 0.0018832 k( 439) = ( 0.5000000 0.0000000 0.2583333), wk = 0.0018832 k( 440) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0018832 k( 441) = ( 0.5000000 0.0000000 0.2416667), wk = 0.0018832 k( 442) = ( 0.5000000 0.0000000 0.2333333), wk = 0.0018832 k( 443) = ( 0.5000000 0.0000000 0.2250000), wk = 0.0018832 k( 444) = ( 0.5000000 0.0000000 0.2166667), wk = 0.0018832 k( 445) = ( 0.5000000 0.0000000 0.2083333), wk = 0.0018832 k( 446) = ( 0.5000000 0.0000000 0.2000000), wk = 0.0018832 k( 447) = ( 0.5000000 0.0000000 0.1916667), wk = 0.0018832 k( 448) = ( 0.5000000 0.0000000 0.1833333), wk = 0.0018832 k( 449) = ( 0.5000000 0.0000000 0.1750000), wk = 0.0018832 k( 450) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0018832 k( 451) = ( 0.5000000 0.0000000 0.1583333), wk = 0.0018832 k( 452) = ( 0.5000000 0.0000000 0.1500000), wk = 0.0018832 k( 453) = ( 0.5000000 0.0000000 0.1416667), wk = 0.0018832 k( 454) = ( 0.5000000 0.0000000 0.1333333), wk = 0.0018832 k( 455) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0018832 k( 456) = ( 0.5000000 0.0000000 0.1166667), wk = 0.0018832 k( 457) = ( 0.5000000 0.0000000 0.1083333), wk = 0.0018832 k( 458) = ( 0.5000000 0.0000000 0.1000000), wk = 0.0018832 k( 459) = ( 0.5000000 0.0000000 0.0916667), wk = 0.0018832 k( 460) = ( 0.5000000 0.0000000 0.0833333), wk = 0.0018832 k( 461) = ( 0.5000000 0.0000000 0.0750000), wk = 0.0018832 k( 462) = ( 0.5000000 0.0000000 0.0666667), wk = 0.0018832 k( 463) = ( 0.5000000 0.0000000 0.0583333), wk = 0.0018832 k( 464) = ( 0.5000000 0.0000000 0.0500000), wk = 0.0018832 k( 465) = ( 0.5000000 0.0000000 0.0416667), wk = 0.0018832 k( 466) = ( 0.5000000 0.0000000 0.0333333), wk = 0.0018832 k( 467) = ( 0.5000000 0.0000000 0.0250000), wk = 0.0018832 k( 468) = ( 0.5000000 0.0000000 0.0166667), wk = 0.0018832 k( 469) = ( 0.5000000 0.0000000 0.0083333), wk = 0.0018832 k( 470) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0018832 k( 471) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0018832 k( 472) = ( 0.3333333 0.3333333 0.0083333), wk = 0.0018832 k( 473) = ( 0.3333333 0.3333333 0.0166667), wk = 0.0018832 k( 474) = ( 0.3333333 0.3333333 0.0250000), wk = 0.0018832 k( 475) = ( 0.3333333 0.3333333 0.0333333), wk = 0.0018832 k( 476) = ( 0.3333333 0.3333333 0.0416667), wk = 0.0018832 k( 477) = ( 0.3333333 0.3333333 0.0500000), wk = 0.0018832 k( 478) = ( 0.3333333 0.3333333 0.0583333), wk = 0.0018832 k( 479) = ( 0.3333333 0.3333333 0.0666667), wk = 0.0018832 k( 480) = ( 0.3333333 0.3333333 0.0750000), wk = 0.0018832 k( 481) = ( 0.3333333 0.3333333 0.0833333), wk = 0.0018832 k( 482) = ( 0.3333333 0.3333333 0.0916667), wk = 0.0018832 k( 483) = ( 0.3333333 0.3333333 0.1000000), wk = 0.0018832 k( 484) = ( 0.3333333 0.3333333 0.1083333), wk = 0.0018832 k( 485) = ( 0.3333333 0.3333333 0.1166667), wk = 0.0018832 k( 486) = ( 0.3333333 0.3333333 0.1250000), wk = 0.0018832 k( 487) = ( 0.3333333 0.3333333 0.1333333), wk = 0.0018832 k( 488) = ( 0.3333333 0.3333333 0.1416667), wk = 0.0018832 k( 489) = ( 0.3333333 0.3333333 0.1500000), wk = 0.0018832 k( 490) = ( 0.3333333 0.3333333 0.1583333), wk = 0.0018832 k( 491) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0018832 k( 492) = ( 0.3333333 0.3333333 0.1750000), wk = 0.0018832 k( 493) = ( 0.3333333 0.3333333 0.1833333), wk = 0.0018832 k( 494) = ( 0.3333333 0.3333333 0.1916667), wk = 0.0018832 k( 495) = ( 0.3333333 0.3333333 0.2000000), wk = 0.0018832 k( 496) = ( 0.3333333 0.3333333 0.2083333), wk = 0.0018832 k( 497) = ( 0.3333333 0.3333333 0.2166667), wk = 0.0018832 k( 498) = ( 0.3333333 0.3333333 0.2250000), wk = 0.0018832 k( 499) = ( 0.3333333 0.3333333 0.2333333), wk = 0.0018832 k( 500) = ( 0.3333333 0.3333333 0.2416667), wk = 0.0018832 k( 501) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0018832 k( 502) = ( 0.3333333 0.3333333 0.2583333), wk = 0.0018832 k( 503) = ( 0.3333333 0.3333333 0.2666667), wk = 0.0018832 k( 504) = ( 0.3333333 0.3333333 0.2750000), wk = 0.0018832 k( 505) = ( 0.3333333 0.3333333 0.2833333), wk = 0.0018832 k( 506) = ( 0.3333333 0.3333333 0.2916667), wk = 0.0018832 k( 507) = ( 0.3333333 0.3333333 0.3000000), wk = 0.0018832 k( 508) = ( 0.3333333 0.3333333 0.3083333), wk = 0.0018832 k( 509) = ( 0.3333333 0.3333333 0.3166667), wk = 0.0018832 k( 510) = ( 0.3333333 0.3333333 0.3250000), wk = 0.0018832 k( 511) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0018832 k( 512) = ( 0.3333333 0.3333333 0.3416667), wk = 0.0018832 k( 513) = ( 0.3333333 0.3333333 0.3500000), wk = 0.0018832 k( 514) = ( 0.3333333 0.3333333 0.3583333), wk = 0.0018832 k( 515) = ( 0.3333333 0.3333333 0.3666667), wk = 0.0018832 k( 516) = ( 0.3333333 0.3333333 0.3750000), wk = 0.0018832 k( 517) = ( 0.3333333 0.3333333 0.3833333), wk = 0.0018832 k( 518) = ( 0.3333333 0.3333333 0.3916667), wk = 0.0018832 k( 519) = ( 0.3333333 0.3333333 0.4000000), wk = 0.0018832 k( 520) = ( 0.3333333 0.3333333 0.4083333), wk = 0.0018832 k( 521) = ( 0.3333333 0.3333333 0.4166667), wk = 0.0018832 k( 522) = ( 0.3333333 0.3333333 0.4250000), wk = 0.0018832 k( 523) = ( 0.3333333 0.3333333 0.4333333), wk = 0.0018832 k( 524) = ( 0.3333333 0.3333333 0.4416667), wk = 0.0018832 k( 525) = ( 0.3333333 0.3333333 0.4500000), wk = 0.0018832 k( 526) = ( 0.3333333 0.3333333 0.4583333), wk = 0.0018832 k( 527) = ( 0.3333333 0.3333333 0.4666667), wk = 0.0018832 k( 528) = ( 0.3333333 0.3333333 0.4750000), wk = 0.0018832 k( 529) = ( 0.3333333 0.3333333 0.4833333), wk = 0.0018832 k( 530) = ( 0.3333333 0.3333333 0.4916667), wk = 0.0018832 k( 531) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0018832 Dense grid: 12929 G-vectors FFT dimensions: ( 32, 32, 30) Smooth grid: 5915 G-vectors FFT dimensions: ( 25, 25, 24) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.01 Mb ( 36, 26) NL pseudopotentials 0.01 Mb ( 18, 48) Each V/rho on FFT grid 0.02 Mb ( 1024) Each G-vector array 0.00 Mb ( 270) G-vector shells 0.00 Mb ( 142) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.06 Mb ( 36, 104) Each subspace H/S matrix 0.17 Mb ( 104, 104) Each matrix 0.04 Mb ( 48, 2, 26) Check: negative/imaginary core charge= -0.000006 0.000000 The potential is recalculated from file : ./NbN.save/charge-density.dat Starting wfc are 34 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 41.0 secs Computing kpt #: 2 total cpu time spent up to now is 41.2 secs Computing kpt #: 3 total cpu time spent up to now is 41.4 secs Computing kpt #: 4 total cpu time spent up to now is 41.6 secs Computing kpt #: 5 total cpu time spent up to now is 41.8 secs Computing kpt #: 6 total cpu time spent up to now is 42.1 secs Computing kpt #: 7 total cpu time spent up to now is 42.3 secs Computing kpt #: 8 total cpu time spent up to now is 42.6 secs Computing kpt #: 9 total cpu time spent up to now is 42.9 secs Computing kpt #: 10 total cpu time spent up to now is 43.1 secs Computing kpt #: 11 total cpu time spent up to now is 43.4 secs Computing kpt #: 12 total cpu time spent up to now is 43.6 secs Computing kpt #: 13 total cpu time spent up to now is 43.9 secs Computing kpt #: 14 total cpu time spent up to now is 44.1 secs Computing kpt #: 15 total cpu time spent up to now is 44.3 secs Computing kpt #: 16 total cpu time spent up to now is 44.5 secs Computing kpt #: 17 total cpu time spent up to now is 44.7 secs Computing kpt #: 18 total cpu time spent up to now is 44.9 secs Computing kpt #: 19 total cpu time spent up to now is 45.2 secs Computing kpt #: 20 total cpu time spent up to now is 45.4 secs Computing kpt #: 21 total cpu time spent up to now is 45.6 secs Computing kpt #: 22 total cpu time spent up to now is 45.8 secs Computing kpt #: 23 total cpu time spent up to now is 46.0 secs Computing kpt #: 24 total cpu time spent up to now is 46.2 secs Computing kpt #: 25 total cpu time spent up to now is 46.4 secs Computing kpt #: 26 total cpu time spent up to now is 46.6 secs Computing kpt #: 27 total cpu time spent up to now is 46.8 secs Computing kpt #: 28 total cpu time spent up to now is 47.0 secs Computing kpt #: 29 total cpu time spent up to now is 47.2 secs Computing kpt #: 30 total cpu time spent up to now is 47.4 secs Computing kpt #: 31 total cpu time spent up to now is 47.6 secs Computing kpt #: 32 total cpu time spent up to now is 47.8 secs Computing kpt #: 33 total cpu time spent up to now is 48.0 secs Computing kpt #: 34 total cpu time spent up to now is 48.2 secs Computing kpt #: 35 total cpu time spent up to now is 48.4 secs Computing kpt #: 36 total cpu time spent up to now is 48.6 secs Computing kpt #: 37 total cpu time spent up to now is 48.8 secs Computing kpt #: 38 total cpu time spent up to now is 49.0 secs Computing kpt #: 39 total cpu time spent up to now is 49.2 secs Computing kpt #: 40 total cpu time spent up to now is 49.4 secs Computing kpt #: 41 total cpu time spent up to now is 49.6 secs Computing kpt #: 42 total cpu time spent up to now is 49.8 secs Computing kpt #: 43 total cpu time spent up to now is 50.0 secs Computing kpt #: 44 total cpu time spent up to now is 50.2 secs Computing kpt #: 45 total cpu time spent up to now is 50.4 secs Computing kpt #: 46 total cpu time spent up to now is 50.6 secs Computing kpt #: 47 total cpu time spent up to now is 50.9 secs Computing kpt #: 48 total cpu time spent up to now is 51.1 secs Computing kpt #: 49 total cpu time spent up to now is 51.3 secs Computing kpt #: 50 total cpu time spent up to now is 51.6 secs Computing kpt #: 51 total cpu time spent up to now is 51.9 secs Computing kpt #: 52 total cpu time spent up to now is 52.1 secs Computing kpt #: 53 total cpu time spent up to now is 52.3 secs Computing kpt #: 54 total cpu time spent up to now is 52.6 secs Computing kpt #: 55 total cpu time spent up to now is 52.8 secs Computing kpt #: 56 total cpu time spent up to now is 53.0 secs Computing kpt #: 57 total cpu time spent up to now is 53.2 secs Computing kpt #: 58 total cpu time spent up to now is 53.4 secs Computing kpt #: 59 total cpu time spent up to now is 53.6 secs Computing kpt #: 60 total cpu time spent up to now is 53.7 secs Computing kpt #: 61 total cpu time spent up to now is 53.9 secs Computing kpt #: 62 total cpu time spent up to now is 54.2 secs Computing kpt #: 63 total cpu time spent up to now is 54.5 secs Computing kpt #: 64 total cpu time spent up to now is 54.8 secs Computing kpt #: 65 total cpu time spent up to now is 55.0 secs Computing kpt #: 66 total cpu time spent up to now is 55.2 secs Computing kpt #: 67 total cpu time spent up to now is 55.4 secs Computing kpt #: 68 total cpu time spent up to now is 55.6 secs Computing kpt #: 69 total cpu time spent up to now is 55.9 secs Computing kpt #: 70 total cpu time spent up to now is 56.1 secs Computing kpt #: 71 total cpu time spent up to now is 56.3 secs Computing kpt #: 72 total cpu time spent up to now is 56.7 secs Computing kpt #: 73 total cpu time spent up to now is 56.9 secs Computing kpt #: 74 total cpu time spent up to now is 57.1 secs Computing kpt #: 75 total cpu time spent up to now is 57.2 secs Computing kpt #: 76 total cpu time spent up to now is 57.4 secs Computing kpt #: 77 total cpu time spent up to now is 57.6 secs Computing kpt #: 78 total cpu time spent up to now is 57.9 secs Computing kpt #: 79 total cpu time spent up to now is 58.1 secs Computing kpt #: 80 total cpu time spent up to now is 58.3 secs Computing kpt #: 81 total cpu time spent up to now is 58.5 secs Computing kpt #: 82 total cpu time spent up to now is 58.8 secs Computing kpt #: 83 total cpu time spent up to now is 58.9 secs Computing kpt #: 84 total cpu time spent up to now is 59.2 secs Computing kpt #: 85 total cpu time spent up to now is 59.4 secs Computing kpt #: 86 total cpu time spent up to now is 59.6 secs Computing kpt #: 87 total cpu time spent up to now is 59.9 secs Computing kpt #: 88 total cpu time spent up to now is 60.1 secs Computing kpt #: 89 total cpu time spent up to now is 60.3 secs Computing kpt #: 90 total cpu time spent up to now is 60.5 secs Computing kpt #: 91 total cpu time spent up to now is 60.7 secs Computing kpt #: 92 total cpu time spent up to now is 60.8 secs Computing kpt #: 93 total cpu time spent up to now is 61.0 secs Computing kpt #: 94 total cpu time spent up to now is 61.2 secs Computing kpt #: 95 total cpu time spent up to now is 61.4 secs Computing kpt #: 96 total cpu time spent up to now is 61.5 secs Computing kpt #: 97 total cpu time spent up to now is 61.7 secs Computing kpt #: 98 total cpu time spent up to now is 61.9 secs Computing kpt #: 99 total cpu time spent up to now is 62.0 secs Computing kpt #: 100 total cpu time spent up to now is 62.2 secs Computing kpt #: 101 total cpu time spent up to now is 62.4 secs Computing kpt #: 102 total cpu time spent up to now is 62.5 secs Computing kpt #: 103 total cpu time spent up to now is 62.7 secs Computing kpt #: 104 total cpu time spent up to now is 62.9 secs Computing kpt #: 105 total cpu time spent up to now is 63.0 secs Computing kpt #: 106 total cpu time spent up to now is 63.2 secs Computing kpt #: 107 total cpu time spent up to now is 63.4 secs Computing kpt #: 108 total cpu time spent up to now is 63.6 secs Computing kpt #: 109 total cpu time spent up to now is 63.9 secs Computing kpt #: 110 total cpu time spent up to now is 64.1 secs Computing kpt #: 111 total cpu time spent up to now is 64.3 secs Computing kpt #: 112 total cpu time spent up to now is 64.6 secs Computing kpt #: 113 total cpu time spent up to now is 64.9 secs Computing kpt #: 114 total cpu time spent up to now is 65.1 secs Computing kpt #: 115 total cpu time spent up to now is 65.5 secs Computing kpt #: 116 total cpu time spent up to now is 65.7 secs Computing kpt #: 117 total cpu time spent up to now is 65.9 secs Computing kpt #: 118 total cpu time spent up to now is 66.2 secs Computing kpt #: 119 total cpu time spent up to now is 66.4 secs Computing kpt #: 120 total cpu time spent up to now is 66.6 secs Computing kpt #: 121 total cpu time spent up to now is 66.8 secs Computing kpt #: 122 total cpu time spent up to now is 67.0 secs Computing kpt #: 123 total cpu time spent up to now is 67.3 secs Computing kpt #: 124 total cpu time spent up to now is 67.6 secs Computing kpt #: 125 total cpu time spent up to now is 67.9 secs Computing kpt #: 126 total cpu time spent up to now is 68.2 secs Computing kpt #: 127 total cpu time spent up to now is 68.5 secs Computing kpt #: 128 total cpu time spent up to now is 69.3 secs Computing kpt #: 129 total cpu time spent up to now is 69.5 secs Computing kpt #: 130 total cpu time spent up to now is 70.0 secs Computing kpt #: 131 total cpu time spent up to now is 70.4 secs Computing kpt #: 132 total cpu time spent up to now is 70.6 secs Computing kpt #: 133 total cpu time spent up to now is 70.9 secs Computing kpt #: 134 total cpu time spent up to now is 71.1 secs Computing kpt #: 135 total cpu time spent up to now is 71.3 secs Computing kpt #: 136 total cpu time spent up to now is 71.5 secs Computing kpt #: 137 total cpu time spent up to now is 71.6 secs Computing kpt #: 138 total cpu time spent up to now is 71.8 secs Computing kpt #: 139 total cpu time spent up to now is 72.0 secs Computing kpt #: 140 total cpu time spent up to now is 72.2 secs Computing kpt #: 141 total cpu time spent up to now is 72.4 secs Computing kpt #: 142 total cpu time spent up to now is 72.6 secs Computing kpt #: 143 total cpu time spent up to now is 72.8 secs Computing kpt #: 144 total cpu time spent up to now is 73.0 secs Computing kpt #: 145 total cpu time spent up to now is 73.4 secs Computing kpt #: 146 total cpu time spent up to now is 73.7 secs Computing kpt #: 147 total cpu time spent up to now is 73.9 secs Computing kpt #: 148 total cpu time spent up to now is 74.2 secs Computing kpt #: 149 total cpu time spent up to now is 74.7 secs Computing kpt #: 150 total cpu time spent up to now is 75.0 secs Computing kpt #: 151 total cpu time spent up to now is 75.2 secs Computing kpt #: 152 total cpu time spent up to now is 75.5 secs Computing kpt #: 153 total cpu time spent up to now is 75.7 secs Computing kpt #: 154 total cpu time spent up to now is 76.0 secs Computing kpt #: 155 total cpu time spent up to now is 76.5 secs Computing kpt #: 156 total cpu time spent up to now is 77.0 secs Computing kpt #: 157 total cpu time spent up to now is 77.5 secs Computing kpt #: 158 total cpu time spent up to now is 77.7 secs Computing kpt #: 159 total cpu time spent up to now is 78.0 secs Computing kpt #: 160 total cpu time spent up to now is 78.4 secs Computing kpt #: 161 total cpu time spent up to now is 78.7 secs Computing kpt #: 162 total cpu time spent up to now is 79.1 secs Computing kpt #: 163 total cpu time spent up to now is 79.4 secs Computing kpt #: 164 total cpu time spent up to now is 79.8 secs Computing kpt #: 165 total cpu time spent up to now is 80.2 secs Computing kpt #: 166 total cpu time spent up to now is 80.4 secs Computing kpt #: 167 total cpu time spent up to now is 80.7 secs Computing kpt #: 168 total cpu time spent up to now is 80.9 secs Computing kpt #: 169 total cpu time spent up to now is 81.2 secs Computing kpt #: 170 total cpu time spent up to now is 81.4 secs Computing kpt #: 171 total cpu time spent up to now is 81.6 secs Computing kpt #: 172 total cpu time spent up to now is 81.8 secs Computing kpt #: 173 total cpu time spent up to now is 82.0 secs Computing kpt #: 174 total cpu time spent up to now is 82.3 secs Computing kpt #: 175 total cpu time spent up to now is 82.5 secs Computing kpt #: 176 total cpu time spent up to now is 82.8 secs Computing kpt #: 177 total cpu time spent up to now is 83.1 secs Computing kpt #: 178 total cpu time spent up to now is 83.4 secs Computing kpt #: 179 total cpu time spent up to now is 83.7 secs Computing kpt #: 180 total cpu time spent up to now is 84.0 secs Computing kpt #: 181 total cpu time spent up to now is 84.3 secs Computing kpt #: 182 total cpu time spent up to now is 84.7 secs Computing kpt #: 183 total cpu time spent up to now is 85.1 secs Computing kpt #: 184 total cpu time spent up to now is 85.3 secs Computing kpt #: 185 total cpu time spent up to now is 85.6 secs Computing kpt #: 186 total cpu time spent up to now is 85.9 secs Computing kpt #: 187 total cpu time spent up to now is 86.1 secs Computing kpt #: 188 total cpu time spent up to now is 86.4 secs Computing kpt #: 189 total cpu time spent up to now is 86.6 secs Computing kpt #: 190 total cpu time spent up to now is 86.8 secs Computing kpt #: 191 total cpu time spent up to now is 87.1 secs Computing kpt #: 192 total cpu time spent up to now is 87.4 secs Computing kpt #: 193 total cpu time spent up to now is 87.6 secs Computing kpt #: 194 total cpu time spent up to now is 88.1 secs Computing kpt #: 195 total cpu time spent up to now is 88.3 secs Computing kpt #: 196 total cpu time spent up to now is 88.7 secs Computing kpt #: 197 total cpu time spent up to now is 89.0 secs Computing kpt #: 198 total cpu time spent up to now is 89.9 secs Computing kpt #: 199 total cpu time spent up to now is 90.4 secs Computing kpt #: 200 total cpu time spent up to now is 90.8 secs Computing kpt #: 201 total cpu time spent up to now is 91.1 secs Computing kpt #: 202 total cpu time spent up to now is 91.5 secs Computing kpt #: 203 total cpu time spent up to now is 91.9 secs Computing kpt #: 204 total cpu time spent up to now is 92.3 secs Computing kpt #: 205 total cpu time spent up to now is 92.6 secs Computing kpt #: 206 total cpu time spent up to now is 92.9 secs Computing kpt #: 207 total cpu time spent up to now is 93.1 secs Computing kpt #: 208 total cpu time spent up to now is 93.4 secs Computing kpt #: 209 total cpu time spent up to now is 93.6 secs Computing kpt #: 210 total cpu time spent up to now is 93.8 secs Computing kpt #: 211 total cpu time spent up to now is 94.0 secs Computing kpt #: 212 total cpu time spent up to now is 94.2 secs Computing kpt #: 213 total cpu time spent up to now is 94.3 secs Computing kpt #: 214 total cpu time spent up to now is 94.5 secs Computing kpt #: 215 total cpu time spent up to now is 94.7 secs Computing kpt #: 216 total cpu time spent up to now is 94.9 secs Computing kpt #: 217 total cpu time spent up to now is 95.1 secs Computing kpt #: 218 total cpu time spent up to now is 95.4 secs Computing kpt #: 219 total cpu time spent up to now is 95.7 secs Computing kpt #: 220 total cpu time spent up to now is 96.1 secs Computing kpt #: 221 total cpu time spent up to now is 96.4 secs Computing kpt #: 222 total cpu time spent up to now is 96.7 secs Computing kpt #: 223 total cpu time spent up to now is 96.9 secs Computing kpt #: 224 total cpu time spent up to now is 97.2 secs Computing kpt #: 225 total cpu time spent up to now is 97.4 secs Computing kpt #: 226 total cpu time spent up to now is 97.6 secs Computing kpt #: 227 total cpu time spent up to now is 97.8 secs Computing kpt #: 228 total cpu time spent up to now is 98.1 secs Computing kpt #: 229 total cpu time spent up to now is 98.3 secs Computing kpt #: 230 total cpu time spent up to now is 98.7 secs Computing kpt #: 231 total cpu time spent up to now is 99.0 secs Computing kpt #: 232 total cpu time spent up to now is 99.2 secs Computing kpt #: 233 total cpu time spent up to now is 99.6 secs Computing kpt #: 234 total cpu time spent up to now is 99.8 secs Computing kpt #: 235 total cpu time spent up to now is 100.2 secs Computing kpt #: 236 total cpu time spent up to now is 100.4 secs Computing kpt #: 237 total cpu time spent up to now is 100.7 secs Computing kpt #: 238 total cpu time spent up to now is 100.8 secs Computing kpt #: 239 total cpu time spent up to now is 101.0 secs Computing kpt #: 240 total cpu time spent up to now is 101.2 secs Computing kpt #: 241 total cpu time spent up to now is 101.5 secs Computing kpt #: 242 total cpu time spent up to now is 101.7 secs Computing kpt #: 243 total cpu time spent up to now is 101.9 secs Computing kpt #: 244 total cpu time spent up to now is 102.0 secs Computing kpt #: 245 total cpu time spent up to now is 102.2 secs Computing kpt #: 246 total cpu time spent up to now is 102.4 secs Computing kpt #: 247 total cpu time spent up to now is 102.6 secs Computing kpt #: 248 total cpu time spent up to now is 102.7 secs Computing kpt #: 249 total cpu time spent up to now is 102.9 secs Computing kpt #: 250 total cpu time spent up to now is 103.1 secs Computing kpt #: 251 total cpu time spent up to now is 103.3 secs Computing kpt #: 252 total cpu time spent up to now is 103.4 secs Computing kpt #: 253 total cpu time spent up to now is 104.0 secs Computing kpt #: 254 total cpu time spent up to now is 104.5 secs Computing kpt #: 255 total cpu time spent up to now is 104.9 secs Computing kpt #: 256 total cpu time spent up to now is 105.2 secs Computing kpt #: 257 total cpu time spent up to now is 105.9 secs Computing kpt #: 258 total cpu time spent up to now is 106.3 secs Computing kpt #: 259 total cpu time spent up to now is 106.5 secs Computing kpt #: 260 total cpu time spent up to now is 106.7 secs Computing kpt #: 261 total cpu time spent up to now is 107.1 secs Computing kpt #: 262 total cpu time spent up to now is 107.4 secs Computing kpt #: 263 total cpu time spent up to now is 107.8 secs Computing kpt #: 264 total cpu time spent up to now is 108.2 secs Computing kpt #: 265 total cpu time spent up to now is 108.5 secs Computing kpt #: 266 total cpu time spent up to now is 108.8 secs Computing kpt #: 267 total cpu time spent up to now is 109.1 secs Computing kpt #: 268 total cpu time spent up to now is 109.2 secs Computing kpt #: 269 total cpu time spent up to now is 109.4 secs Computing kpt #: 270 total cpu time spent up to now is 109.6 secs Computing kpt #: 271 total cpu time spent up to now is 109.8 secs Computing kpt #: 272 total cpu time spent up to now is 110.0 secs Computing kpt #: 273 total cpu time spent up to now is 110.1 secs Computing kpt #: 274 total cpu time spent up to now is 110.3 secs Computing kpt #: 275 total cpu time spent up to now is 110.5 secs Computing kpt #: 276 total cpu time spent up to now is 110.7 secs Computing kpt #: 277 total cpu time spent up to now is 110.9 secs Computing kpt #: 278 total cpu time spent up to now is 111.1 secs Computing kpt #: 279 total cpu time spent up to now is 111.2 secs Computing kpt #: 280 total cpu time spent up to now is 111.4 secs Computing kpt #: 281 total cpu time spent up to now is 112.0 secs Computing kpt #: 282 total cpu time spent up to now is 112.2 secs Computing kpt #: 283 total cpu time spent up to now is 112.5 secs Computing kpt #: 284 total cpu time spent up to now is 112.7 secs Computing kpt #: 285 total cpu time spent up to now is 112.9 secs Computing kpt #: 286 total cpu time spent up to now is 113.2 secs Computing kpt #: 287 total cpu time spent up to now is 113.5 secs Computing kpt #: 288 total cpu time spent up to now is 113.7 secs Computing kpt #: 289 total cpu time spent up to now is 113.9 secs Computing kpt #: 290 total cpu time spent up to now is 114.3 secs Computing kpt #: 291 total cpu time spent up to now is 114.6 secs Computing kpt #: 292 total cpu time spent up to now is 115.0 secs Computing kpt #: 293 total cpu time spent up to now is 115.3 secs Computing kpt #: 294 total cpu time spent up to now is 115.7 secs Computing kpt #: 295 total cpu time spent up to now is 116.0 secs Computing kpt #: 296 total cpu time spent up to now is 116.3 secs Computing kpt #: 297 total cpu time spent up to now is 117.2 secs Computing kpt #: 298 total cpu time spent up to now is 117.6 secs Computing kpt #: 299 total cpu time spent up to now is 118.7 secs Computing kpt #: 300 total cpu time spent up to now is 119.1 secs Computing kpt #: 301 total cpu time spent up to now is 119.3 secs Computing kpt #: 302 total cpu time spent up to now is 119.5 secs Computing kpt #: 303 total cpu time spent up to now is 119.7 secs Computing kpt #: 304 total cpu time spent up to now is 119.9 secs Computing kpt #: 305 total cpu time spent up to now is 120.1 secs Computing kpt #: 306 total cpu time spent up to now is 120.3 secs Computing kpt #: 307 total cpu time spent up to now is 120.4 secs Computing kpt #: 308 total cpu time spent up to now is 120.6 secs Computing kpt #: 309 total cpu time spent up to now is 120.9 secs Computing kpt #: 310 total cpu time spent up to now is 121.1 secs Computing kpt #: 311 total cpu time spent up to now is 121.3 secs Computing kpt #: 312 total cpu time spent up to now is 121.5 secs Computing kpt #: 313 total cpu time spent up to now is 121.8 secs Computing kpt #: 314 total cpu time spent up to now is 122.0 secs Computing kpt #: 315 total cpu time spent up to now is 122.3 secs Computing kpt #: 316 total cpu time spent up to now is 122.9 secs Computing kpt #: 317 total cpu time spent up to now is 123.1 secs Computing kpt #: 318 total cpu time spent up to now is 123.3 secs Computing kpt #: 319 total cpu time spent up to now is 123.5 secs Computing kpt #: 320 total cpu time spent up to now is 123.7 secs Computing kpt #: 321 total cpu time spent up to now is 123.9 secs Computing kpt #: 322 total cpu time spent up to now is 124.1 secs Computing kpt #: 323 total cpu time spent up to now is 124.3 secs Computing kpt #: 324 total cpu time spent up to now is 124.5 secs Computing kpt #: 325 total cpu time spent up to now is 124.6 secs Computing kpt #: 326 total cpu time spent up to now is 124.8 secs Computing kpt #: 327 total cpu time spent up to now is 125.0 secs Computing kpt #: 328 total cpu time spent up to now is 125.2 secs Computing kpt #: 329 total cpu time spent up to now is 125.4 secs Computing kpt #: 330 total cpu time spent up to now is 125.6 secs Computing kpt #: 331 total cpu time spent up to now is 125.8 secs Computing kpt #: 332 total cpu time spent up to now is 126.0 secs Computing kpt #: 333 total cpu time spent up to now is 126.2 secs Computing kpt #: 334 total cpu time spent up to now is 126.4 secs Computing kpt #: 335 total cpu time spent up to now is 126.7 secs Computing kpt #: 336 total cpu time spent up to now is 126.9 secs Computing kpt #: 337 total cpu time spent up to now is 127.2 secs Computing kpt #: 338 total cpu time spent up to now is 127.5 secs Computing kpt #: 339 total cpu time spent up to now is 127.8 secs Computing kpt #: 340 total cpu time spent up to now is 128.1 secs Computing kpt #: 341 total cpu time spent up to now is 128.4 secs Computing kpt #: 342 total cpu time spent up to now is 128.7 secs Computing kpt #: 343 total cpu time spent up to now is 128.9 secs Computing kpt #: 344 total cpu time spent up to now is 129.2 secs Computing kpt #: 345 total cpu time spent up to now is 129.4 secs Computing kpt #: 346 total cpu time spent up to now is 129.7 secs Computing kpt #: 347 total cpu time spent up to now is 130.0 secs Computing kpt #: 348 total cpu time spent up to now is 130.2 secs Computing kpt #: 349 total cpu time spent up to now is 130.9 secs Computing kpt #: 350 total cpu time spent up to now is 131.3 secs Computing kpt #: 351 total cpu time spent up to now is 131.5 secs Computing kpt #: 352 total cpu time spent up to now is 131.7 secs Computing kpt #: 353 total cpu time spent up to now is 131.9 secs Computing kpt #: 354 total cpu time spent up to now is 132.1 secs Computing kpt #: 355 total cpu time spent up to now is 132.3 secs Computing kpt #: 356 total cpu time spent up to now is 132.4 secs Computing kpt #: 357 total cpu time spent up to now is 132.6 secs Computing kpt #: 358 total cpu time spent up to now is 132.8 secs Computing kpt #: 359 total cpu time spent up to now is 133.0 secs Computing kpt #: 360 total cpu time spent up to now is 133.2 secs Computing kpt #: 361 total cpu time spent up to now is 133.7 secs Computing kpt #: 362 total cpu time spent up to now is 133.9 secs Computing kpt #: 363 total cpu time spent up to now is 134.1 secs Computing kpt #: 364 total cpu time spent up to now is 134.3 secs Computing kpt #: 365 total cpu time spent up to now is 134.5 secs Computing kpt #: 366 total cpu time spent up to now is 134.7 secs Computing kpt #: 367 total cpu time spent up to now is 134.9 secs Computing kpt #: 368 total cpu time spent up to now is 135.1 secs Computing kpt #: 369 total cpu time spent up to now is 135.6 secs Computing kpt #: 370 total cpu time spent up to now is 136.3 secs Computing kpt #: 371 total cpu time spent up to now is 136.6 secs Computing kpt #: 372 total cpu time spent up to now is 136.9 secs Computing kpt #: 373 total cpu time spent up to now is 137.2 secs Computing kpt #: 374 total cpu time spent up to now is 137.5 secs Computing kpt #: 375 total cpu time spent up to now is 137.7 secs Computing kpt #: 376 total cpu time spent up to now is 137.9 secs Computing kpt #: 377 total cpu time spent up to now is 138.1 secs Computing kpt #: 378 total cpu time spent up to now is 138.4 secs Computing kpt #: 379 total cpu time spent up to now is 138.6 secs Computing kpt #: 380 total cpu time spent up to now is 138.8 secs Computing kpt #: 381 total cpu time spent up to now is 139.0 secs Computing kpt #: 382 total cpu time spent up to now is 139.2 secs Computing kpt #: 383 total cpu time spent up to now is 139.5 secs Computing kpt #: 384 total cpu time spent up to now is 139.7 secs Computing kpt #: 385 total cpu time spent up to now is 139.9 secs Computing kpt #: 386 total cpu time spent up to now is 140.1 secs Computing kpt #: 387 total cpu time spent up to now is 140.3 secs Computing kpt #: 388 total cpu time spent up to now is 140.5 secs Computing kpt #: 389 total cpu time spent up to now is 140.7 secs Computing kpt #: 390 total cpu time spent up to now is 140.9 secs Computing kpt #: 391 total cpu time spent up to now is 141.0 secs Computing kpt #: 392 total cpu time spent up to now is 141.2 secs Computing kpt #: 393 total cpu time spent up to now is 141.4 secs Computing kpt #: 394 total cpu time spent up to now is 141.6 secs Computing kpt #: 395 total cpu time spent up to now is 141.8 secs Computing kpt #: 396 total cpu time spent up to now is 141.9 secs Computing kpt #: 397 total cpu time spent up to now is 142.3 secs Computing kpt #: 398 total cpu time spent up to now is 142.6 secs Computing kpt #: 399 total cpu time spent up to now is 142.8 secs Computing kpt #: 400 total cpu time spent up to now is 143.2 secs Computing kpt #: 401 total cpu time spent up to now is 143.4 secs Computing kpt #: 402 total cpu time spent up to now is 143.6 secs Computing kpt #: 403 total cpu time spent up to now is 143.8 secs Computing kpt #: 404 total cpu time spent up to now is 144.2 secs Computing kpt #: 405 total cpu time spent up to now is 144.4 secs Computing kpt #: 406 total cpu time spent up to now is 144.7 secs Computing kpt #: 407 total cpu time spent up to now is 145.0 secs Computing kpt #: 408 total cpu time spent up to now is 145.3 secs Computing kpt #: 409 total cpu time spent up to now is 145.5 secs Computing kpt #: 410 total cpu time spent up to now is 145.7 secs Computing kpt #: 411 total cpu time spent up to now is 145.9 secs Computing kpt #: 412 total cpu time spent up to now is 146.3 secs Computing kpt #: 413 total cpu time spent up to now is 146.7 secs Computing kpt #: 414 total cpu time spent up to now is 147.0 secs Computing kpt #: 415 total cpu time spent up to now is 147.4 secs Computing kpt #: 416 total cpu time spent up to now is 148.1 secs Computing kpt #: 417 total cpu time spent up to now is 148.7 secs Computing kpt #: 418 total cpu time spent up to now is 149.2 secs Computing kpt #: 419 total cpu time spent up to now is 149.6 secs Computing kpt #: 420 total cpu time spent up to now is 150.1 secs Computing kpt #: 421 total cpu time spent up to now is 150.6 secs Computing kpt #: 422 total cpu time spent up to now is 151.0 secs Computing kpt #: 423 total cpu time spent up to now is 151.3 secs Computing kpt #: 424 total cpu time spent up to now is 151.5 secs Computing kpt #: 425 total cpu time spent up to now is 151.8 secs Computing kpt #: 426 total cpu time spent up to now is 152.0 secs Computing kpt #: 427 total cpu time spent up to now is 152.2 secs Computing kpt #: 428 total cpu time spent up to now is 152.4 secs Computing kpt #: 429 total cpu time spent up to now is 152.6 secs Computing kpt #: 430 total cpu time spent up to now is 152.8 secs Computing kpt #: 431 total cpu time spent up to now is 153.0 secs Computing kpt #: 432 total cpu time spent up to now is 153.1 secs Computing kpt #: 433 total cpu time spent up to now is 153.3 secs Computing kpt #: 434 total cpu time spent up to now is 153.5 secs Computing kpt #: 435 total cpu time spent up to now is 153.7 secs Computing kpt #: 436 total cpu time spent up to now is 153.9 secs Computing kpt #: 437 total cpu time spent up to now is 154.1 secs Computing kpt #: 438 total cpu time spent up to now is 154.3 secs Computing kpt #: 439 total cpu time spent up to now is 154.4 secs Computing kpt #: 440 total cpu time spent up to now is 154.6 secs Computing kpt #: 441 total cpu time spent up to now is 155.0 secs Computing kpt #: 442 total cpu time spent up to now is 155.3 secs Computing kpt #: 443 total cpu time spent up to now is 155.5 secs Computing kpt #: 444 total cpu time spent up to now is 155.9 secs Computing kpt #: 445 total cpu time spent up to now is 156.2 secs Computing kpt #: 446 total cpu time spent up to now is 156.4 secs Computing kpt #: 447 total cpu time spent up to now is 156.6 secs Computing kpt #: 448 total cpu time spent up to now is 156.8 secs Computing kpt #: 449 total cpu time spent up to now is 157.2 secs Computing kpt #: 450 total cpu time spent up to now is 157.4 secs Computing kpt #: 451 total cpu time spent up to now is 157.6 secs Computing kpt #: 452 total cpu time spent up to now is 158.1 secs Computing kpt #: 453 total cpu time spent up to now is 158.8 secs Computing kpt #: 454 total cpu time spent up to now is 159.2 secs Computing kpt #: 455 total cpu time spent up to now is 159.5 secs Computing kpt #: 456 total cpu time spent up to now is 159.7 secs Computing kpt #: 457 total cpu time spent up to now is 160.1 secs Computing kpt #: 458 total cpu time spent up to now is 160.6 secs Computing kpt #: 459 total cpu time spent up to now is 161.4 secs Computing kpt #: 460 total cpu time spent up to now is 161.8 secs Computing kpt #: 461 total cpu time spent up to now is 162.2 secs Computing kpt #: 462 total cpu time spent up to now is 162.6 secs Computing kpt #: 463 total cpu time spent up to now is 162.8 secs Computing kpt #: 464 total cpu time spent up to now is 163.2 secs Computing kpt #: 465 total cpu time spent up to now is 163.5 secs Computing kpt #: 466 total cpu time spent up to now is 163.7 secs Computing kpt #: 467 total cpu time spent up to now is 163.9 secs Computing kpt #: 468 total cpu time spent up to now is 164.1 secs Computing kpt #: 469 total cpu time spent up to now is 164.2 secs Computing kpt #: 470 total cpu time spent up to now is 164.4 secs Computing kpt #: 471 total cpu time spent up to now is 164.6 secs Computing kpt #: 472 total cpu time spent up to now is 164.8 secs Computing kpt #: 473 total cpu time spent up to now is 164.9 secs Computing kpt #: 474 total cpu time spent up to now is 165.1 secs Computing kpt #: 475 total cpu time spent up to now is 165.3 secs Computing kpt #: 476 total cpu time spent up to now is 165.4 secs Computing kpt #: 477 total cpu time spent up to now is 165.6 secs Computing kpt #: 478 total cpu time spent up to now is 165.8 secs Computing kpt #: 479 total cpu time spent up to now is 165.9 secs Computing kpt #: 480 total cpu time spent up to now is 166.1 secs Computing kpt #: 481 total cpu time spent up to now is 166.3 secs Computing kpt #: 482 total cpu time spent up to now is 166.4 secs Computing kpt #: 483 total cpu time spent up to now is 166.6 secs Computing kpt #: 484 total cpu time spent up to now is 166.8 secs Computing kpt #: 485 total cpu time spent up to now is 166.9 secs Computing kpt #: 486 total cpu time spent up to now is 167.1 secs Computing kpt #: 487 total cpu time spent up to now is 167.3 secs Computing kpt #: 488 total cpu time spent up to now is 167.4 secs Computing kpt #: 489 total cpu time spent up to now is 167.6 secs Computing kpt #: 490 total cpu time spent up to now is 167.8 secs Computing kpt #: 491 total cpu time spent up to now is 167.9 secs Computing kpt #: 492 total cpu time spent up to now is 168.1 secs Computing kpt #: 493 total cpu time spent up to now is 168.3 secs Computing kpt #: 494 total cpu time spent up to now is 168.5 secs Computing kpt #: 495 total cpu time spent up to now is 168.6 secs Computing kpt #: 496 total cpu time spent up to now is 168.8 secs Computing kpt #: 497 total cpu time spent up to now is 169.0 secs Computing kpt #: 498 total cpu time spent up to now is 169.1 secs Computing kpt #: 499 total cpu time spent up to now is 169.3 secs Computing kpt #: 500 total cpu time spent up to now is 169.5 secs Computing kpt #: 501 total cpu time spent up to now is 169.7 secs Computing kpt #: 502 total cpu time spent up to now is 169.8 secs Computing kpt #: 503 total cpu time spent up to now is 170.0 secs Computing kpt #: 504 total cpu time spent up to now is 170.2 secs Computing kpt #: 505 total cpu time spent up to now is 170.4 secs Computing kpt #: 506 total cpu time spent up to now is 170.5 secs Computing kpt #: 507 total cpu time spent up to now is 170.7 secs Computing kpt #: 508 total cpu time spent up to now is 170.9 secs Computing kpt #: 509 total cpu time spent up to now is 171.1 secs Computing kpt #: 510 total cpu time spent up to now is 171.2 secs Computing kpt #: 511 total cpu time spent up to now is 171.4 secs Computing kpt #: 512 total cpu time spent up to now is 171.6 secs Computing kpt #: 513 total cpu time spent up to now is 171.8 secs Computing kpt #: 514 total cpu time spent up to now is 171.9 secs Computing kpt #: 515 total cpu time spent up to now is 172.1 secs Computing kpt #: 516 total cpu time spent up to now is 172.3 secs Computing kpt #: 517 total cpu time spent up to now is 172.5 secs Computing kpt #: 518 total cpu time spent up to now is 172.7 secs Computing kpt #: 519 total cpu time spent up to now is 172.9 secs Computing kpt #: 520 total cpu time spent up to now is 173.1 secs Computing kpt #: 521 total cpu time spent up to now is 173.4 secs Computing kpt #: 522 total cpu time spent up to now is 173.6 secs Computing kpt #: 523 total cpu time spent up to now is 173.9 secs Computing kpt #: 524 total cpu time spent up to now is 174.6 secs Computing kpt #: 525 total cpu time spent up to now is 174.8 secs Computing kpt #: 526 total cpu time spent up to now is 175.3 secs Computing kpt #: 527 total cpu time spent up to now is 175.5 secs Computing kpt #: 528 total cpu time spent up to now is 175.7 secs Computing kpt #: 529 total cpu time spent up to now is 175.9 secs Computing kpt #: 530 total cpu time spent up to now is 176.2 secs Computing kpt #: 531 total cpu time spent up to now is 176.5 secs ethr = 5.56E-11, avg # of iterations = 12.9 total cpu time spent up to now is 176.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 743 PWs) bands (ev): -33.7809 -33.7809 -10.7349 -10.7349 -8.6405 -8.6405 -8.5283 -8.5283 4.2190 4.2190 16.2577 16.2577 16.2773 16.2773 17.1921 17.1921 19.5673 19.5673 25.0079 25.0079 25.4176 25.4176 25.5007 25.5007 25.7930 25.7930 k = 0.0079 0.0046-0.0000 ( 747 PWs) bands (ev): -33.7809 -33.7809 -10.7353 -10.7353 -8.6412 -8.6412 -8.5284 -8.5284 4.2204 4.2204 16.2563 16.2563 16.2765 16.2765 17.1940 17.1940 19.5650 19.5650 25.0125 25.0125 25.4185 25.4185 25.5015 25.5015 25.7917 25.7917 k = 0.0159 0.0092-0.0000 ( 749 PWs) bands (ev): -33.7806 -33.7806 -10.7363 -10.7363 -8.6431 -8.6431 -8.5288 -8.5288 4.2244 4.2244 16.2496 16.2496 16.2768 16.2768 17.1996 17.1996 19.5581 19.5581 25.0260 25.0260 25.4209 25.4209 25.5040 25.5040 25.7877 25.7877 k = 0.0238 0.0137-0.0000 ( 751 PWs) bands (ev): -33.7801 -33.7801 -10.7380 -10.7380 -8.6464 -8.6464 -8.5293 -8.5293 4.2312 4.2312 16.2348 16.2348 16.2809 16.2809 17.2089 17.2089 19.5465 19.5465 25.0482 25.0482 25.4240 25.4240 25.5090 25.5090 25.7805 25.7805 k = 0.0317 0.0183-0.0000 ( 751 PWs) bands (ev): -33.7793 -33.7793 -10.7403 -10.7403 -8.6509 -8.6509 -8.5300 -8.5300 4.2406 4.2406 16.2128 16.2128 16.2887 16.2887 17.2217 17.2217 19.5304 19.5304 25.0786 25.0786 25.4265 25.4265 25.5175 25.5175 25.7699 25.7699 k = 0.0397 0.0229-0.0000 ( 747 PWs) bands (ev): -33.7781 -33.7781 -10.7432 -10.7432 -8.6568 -8.6568 -8.5309 -8.5309 4.2526 4.2526 16.1845 16.1845 16.2993 16.2993 17.2376 17.2376 19.5100 19.5100 25.1165 25.1165 25.4275 25.4275 25.5303 25.5303 25.7562 25.7562 k = 0.0476 0.0275-0.0000 ( 747 PWs) bands (ev): -33.7768 -33.7768 -10.7468 -10.7468 -8.6640 -8.6640 -8.5318 -8.5318 4.2672 4.2672 16.1506 16.1506 16.3126 16.3126 17.2564 17.2564 19.4854 19.4854 25.1605 25.1605 25.4262 25.4262 25.5473 25.5473 25.7407 25.7407 k = 0.0556 0.0321-0.0000 ( 743 PWs) bands (ev): -33.7751 -33.7751 -10.7511 -10.7511 -8.6725 -8.6725 -8.5328 -8.5328 4.2844 4.2844 16.1115 16.1115 16.3283 16.3283 17.2778 17.2778 19.4566 19.4566 25.2083 25.2083 25.4229 25.4229 25.5679 25.5679 25.7264 25.7264 k = 0.0635 0.0367-0.0000 ( 743 PWs) bands (ev): -33.7734 -33.7734 -10.7560 -10.7560 -8.6823 -8.6823 -8.5338 -8.5338 4.3041 4.3041 16.0680 16.0680 16.3465 16.3465 17.3017 17.3017 19.4241 19.4241 25.2558 25.2558 25.4179 25.4179 25.5906 25.5906 25.7176 25.7176 k = 0.0714 0.0412-0.0000 ( 743 PWs) bands (ev): -33.7715 -33.7715 -10.7616 -10.7616 -8.6934 -8.6934 -8.5348 -8.5348 4.3263 4.3263 16.0203 16.0203 16.3670 16.3670 17.3278 17.3278 19.3879 19.3879 25.2957 25.2957 25.4121 25.4121 25.6150 25.6150 25.7204 25.7204 k = 0.0794 0.0458-0.0000 ( 741 PWs) bands (ev): -33.7692 -33.7692 -10.7679 -10.7679 -8.7057 -8.7057 -8.5358 -8.5358 4.3508 4.3508 15.9690 15.9690 16.3897 16.3897 17.3559 17.3559 19.3483 19.3483 25.3179 25.3179 25.4067 25.4067 25.6442 25.6442 25.7396 25.7396 k = 0.0873 0.0504-0.0000 ( 743 PWs) bands (ev): -33.7670 -33.7670 -10.7748 -10.7748 -8.7193 -8.7193 -8.5368 -8.5368 4.3776 4.3776 15.9144 15.9144 16.4147 16.4147 17.3857 17.3857 19.3055 19.3055 25.3165 25.3165 25.4008 25.4008 25.6796 25.6796 25.7751 25.7751 k = 0.0952 0.0550-0.0000 ( 737 PWs) bands (ev): -33.7641 -33.7641 -10.7823 -10.7823 -8.7339 -8.7339 -8.5377 -8.5377 4.4066 4.4066 15.8570 15.8570 16.4419 16.4419 17.4173 17.4173 19.2598 19.2598 25.2952 25.2952 25.3922 25.3922 25.7098 25.7098 25.8098 25.8098 k = 0.1032 0.0596-0.0000 ( 737 PWs) bands (ev): -33.7614 -33.7614 -10.7905 -10.7905 -8.7497 -8.7497 -8.5386 -8.5386 4.4377 4.4377 15.7972 15.7972 16.4711 16.4711 17.4504 17.4504 19.2114 19.2114 25.2601 25.2601 25.3811 25.3811 25.7232 25.7232 25.8427 25.8427 k = 0.1111 0.0642-0.0000 ( 741 PWs) bands (ev): -33.7586 -33.7586 -10.7994 -10.7994 -8.7665 -8.7665 -8.5394 -8.5394 4.4709 4.4709 15.7353 15.7353 16.5024 16.5024 17.4848 17.4848 19.1606 19.1606 25.2154 25.2154 25.3683 25.3683 25.7250 25.7250 25.8847 25.8847 k = 0.1190 0.0687-0.0000 ( 737 PWs) bands (ev): -33.7553 -33.7553 -10.8089 -10.8089 -8.7841 -8.7841 -8.5402 -8.5402 4.5060 4.5060 15.6716 15.6716 16.5356 16.5356 17.5205 17.5205 19.1076 19.1076 25.1641 25.1641 25.3548 25.3548 25.7217 25.7217 25.9315 25.9315 k = 0.1270 0.0733-0.0000 ( 737 PWs) bands (ev): -33.7520 -33.7520 -10.8190 -10.8190 -8.8026 -8.8026 -8.5409 -8.5409 4.5430 4.5430 15.6065 15.6065 16.5707 16.5707 17.5572 17.5572 19.0527 19.0527 25.1081 25.1081 25.3404 25.3404 25.7163 25.7163 25.9811 25.9811 k = 0.1349 0.0779-0.0000 ( 741 PWs) bands (ev): -33.7487 -33.7487 -10.8298 -10.8298 -8.8219 -8.8219 -8.5416 -8.5416 4.5817 4.5817 15.5403 15.5403 16.6076 16.6076 17.5949 17.5949 18.9961 18.9961 25.0488 25.0488 25.3253 25.3253 25.7098 25.7098 26.0325 26.0325 k = 0.1429 0.0825-0.0000 ( 741 PWs) bands (ev): -33.7451 -33.7451 -10.8412 -10.8412 -8.8419 -8.8419 -8.5422 -8.5422 4.6219 4.6220 15.4733 15.4733 16.6462 16.6462 17.6333 17.6333 18.9380 18.9380 24.9871 24.9871 25.3097 25.3097 25.7030 25.7030 26.0851 26.0851 k = 0.1508 0.0871-0.0000 ( 741 PWs) bands (ev): -33.7413 -33.7413 -10.8531 -10.8531 -8.8624 -8.8624 -8.5427 -8.5427 4.6637 4.6637 15.4057 15.4057 16.6864 16.6864 17.6722 17.6722 18.8787 18.8787 24.9239 24.9239 25.2936 25.2936 25.6961 25.6961 26.1385 26.1385 k = 0.1587 0.0916-0.0000 ( 745 PWs) bands (ev): -33.7375 -33.7375 -10.8657 -10.8657 -8.8835 -8.8835 -8.5432 -8.5432 4.7069 4.7069 15.3379 15.3379 16.7282 16.7282 17.7115 17.7115 18.8183 18.8183 24.8599 24.8599 25.2770 25.2770 25.6892 25.6892 26.1923 26.1923 k = 0.1667 0.0962-0.0000 ( 749 PWs) bands (ev): -33.7337 -33.7337 -10.8789 -10.8789 -8.9050 -8.9050 -8.5436 -8.5436 4.7514 4.7514 15.2701 15.2701 16.7713 16.7713 17.7510 17.7510 18.7572 18.7572 24.7956 24.7956 25.2598 25.2598 25.6826 25.6826 26.2463 26.2463 k = 0.1746 0.1008-0.0000 ( 749 PWs) bands (ev): -33.7295 -33.7295 -10.8926 -10.8926 -8.9268 -8.9268 -8.5440 -8.5440 4.7969 4.7969 15.2025 15.2025 16.8158 16.8158 17.7904 17.7904 18.6954 18.6954 24.7318 24.7318 25.2423 25.2423 25.6763 25.6763 26.3003 26.3003 k = 0.1825 0.1054-0.0000 ( 749 PWs) bands (ev): -33.7252 -33.7252 -10.9068 -10.9068 -8.9489 -8.9489 -8.5443 -8.5443 4.8436 4.8436 15.1353 15.1353 16.8614 16.8614 17.8296 17.8296 18.6332 18.6332 24.6688 24.6688 25.2245 25.2245 25.6706 25.6706 26.3538 26.3538 k = 0.1905 0.1100-0.0000 ( 749 PWs) bands (ev): -33.7208 -33.7208 -10.9216 -10.9216 -8.9712 -8.9712 -8.5445 -8.5445 4.8910 4.8910 15.0688 15.0688 16.9082 16.9082 17.8682 17.8682 18.5707 18.5707 24.6073 24.6073 25.2063 25.2063 25.6654 25.6654 26.4068 26.4068 k = 0.1984 0.1146-0.0000 ( 747 PWs) bands (ev): -33.7162 -33.7162 -10.9368 -10.9368 -8.9936 -8.9936 -8.5447 -8.5447 4.9393 4.9393 15.0032 15.0032 16.9559 16.9559 17.9060 17.9060 18.5081 18.5081 24.5477 24.5477 25.1879 25.1879 25.6609 25.6609 26.4590 26.4590 k = 0.2063 0.1191-0.0000 ( 743 PWs) bands (ev): -33.7115 -33.7115 -10.9525 -10.9525 -9.0160 -9.0160 -8.5448 -8.5448 4.9882 4.9882 14.9386 14.9386 17.0044 17.0044 17.9428 17.9428 18.4457 18.4457 24.4905 24.4905 25.1692 25.1692 25.6572 25.6572 26.5102 26.5102 k = 0.2143 0.1237-0.0000 ( 743 PWs) bands (ev): -33.7069 -33.7069 -10.9686 -10.9686 -9.0384 -9.0384 -8.5449 -8.5449 5.0376 5.0376 14.8751 14.8751 17.0537 17.0537 17.9782 17.9782 18.3834 18.3834 24.4361 24.4361 25.1504 25.1504 25.6543 25.6543 26.5602 26.5602 k = 0.2222 0.1283-0.0000 ( 743 PWs) bands (ev): -33.7022 -33.7022 -10.9851 -10.9851 -9.0607 -9.0607 -8.5449 -8.5449 5.0874 5.0874 14.8131 14.8131 17.1036 17.1036 18.0121 18.0121 18.3215 18.3215 24.3849 24.3849 25.1314 25.1314 25.6523 25.6523 26.6089 26.6089 k = 0.2302 0.1329-0.0000 ( 743 PWs) bands (ev): -33.6974 -33.6974 -11.0020 -11.0020 -9.0828 -9.0828 -8.5448 -8.5448 5.1374 5.1374 14.7525 14.7525 17.1539 17.1539 18.0441 18.0441 18.2601 18.2601 24.3375 24.3375 25.1124 25.1124 25.6513 25.6513 26.6562 26.6562 k = 0.2381 0.1375-0.0000 ( 747 PWs) bands (ev): -33.6928 -33.6928 -11.0192 -11.0192 -9.1047 -9.1047 -8.5447 -8.5447 5.1875 5.1875 14.6935 14.6935 17.2045 17.2045 18.0739 18.0739 18.1994 18.1994 24.2942 24.2942 25.0932 25.0932 25.6513 25.6513 26.7018 26.7018 k = 0.2460 0.1420-0.0000 ( 745 PWs) bands (ev): -33.6880 -33.6880 -11.0366 -11.0366 -9.1263 -9.1263 -8.5445 -8.5445 5.2377 5.2377 14.6363 14.6363 17.2553 17.2553 18.1012 18.1012 18.1397 18.1397 24.2553 24.2553 25.0741 25.0741 25.6524 25.6524 26.7459 26.7459 k = 0.2540 0.1466-0.0000 ( 745 PWs) bands (ev): -33.6832 -33.6832 -11.0543 -11.0543 -9.1476 -9.1476 -8.5442 -8.5442 5.2877 5.2877 14.5809 14.5809 17.3062 17.3062 18.0799 18.0799 18.1267 18.1267 24.2212 24.2212 25.0552 25.0552 25.6546 25.6546 26.7881 26.7881 k = 0.2619 0.1512-0.0000 ( 745 PWs) bands (ev): -33.6783 -33.6783 -11.0722 -11.0722 -9.1685 -9.1685 -8.5439 -8.5439 5.3374 5.3374 14.5274 14.5274 17.3570 17.3570 18.0220 18.0220 18.1486 18.1486 24.1921 24.1921 25.0363 25.0363 25.6579 25.6579 26.8286 26.8286 k = 0.2698 0.1558-0.0000 ( 745 PWs) bands (ev): -33.6736 -33.6736 -11.0902 -11.0902 -9.1890 -9.1890 -8.5436 -8.5436 5.3868 5.3868 14.4759 14.4759 17.4075 17.4075 17.9650 17.9650 18.1677 18.1677 24.1684 24.1684 25.0176 25.0176 25.6624 25.6624 26.8672 26.8672 k = 0.2778 0.1604-0.0000 ( 745 PWs) bands (ev): -33.6688 -33.6688 -11.1083 -11.1083 -9.2090 -9.2090 -8.5432 -8.5432 5.4356 5.4356 14.4266 14.4266 17.4576 17.4576 17.9093 17.9093 18.1836 18.1836 24.1501 24.1501 24.9990 24.9990 25.6681 25.6681 26.9039 26.9039 k = 0.2857 0.1650-0.0000 ( 744 PWs) bands (ev): -33.6640 -33.6640 -11.1265 -11.1265 -9.2286 -9.2286 -8.5427 -8.5427 5.4839 5.4839 14.3794 14.3794 17.5071 17.5071 17.8549 17.8549 18.1963 18.1963 24.1375 24.1375 24.9808 24.9808 25.6749 25.6749 26.9387 26.9387 k = 0.2937 0.1695-0.0000 ( 746 PWs) bands (ev): -33.6594 -33.6594 -11.1446 -11.1446 -9.2476 -9.2476 -8.5422 -8.5422 5.5314 5.5314 14.3343 14.3343 17.5556 17.5556 17.8022 17.8022 18.2057 18.2057 24.1304 24.1304 24.9628 24.9628 25.6829 25.6829 26.9715 26.9715 k = 0.3016 0.1741-0.0000 ( 746 PWs) bands (ev): -33.6548 -33.6548 -11.1626 -11.1626 -9.2660 -9.2660 -8.5417 -8.5417 5.5781 5.5781 14.2915 14.2915 17.6025 17.6025 17.7517 17.7517 18.2118 18.2118 24.1291 24.1291 24.9451 24.9451 25.6920 25.6920 27.0024 27.0024 k = 0.3095 0.1787-0.0000 ( 746 PWs) bands (ev): -33.6503 -33.6503 -11.1805 -11.1805 -9.2838 -9.2838 -8.5411 -8.5411 5.6238 5.6238 14.2509 14.2509 17.6435 17.6435 17.7079 17.7079 18.2146 18.2146 24.1334 24.1334 24.9278 24.9278 25.7022 25.7022 27.0315 27.0315 k = 0.3175 0.1833-0.0000 ( 746 PWs) bands (ev): -33.6458 -33.6458 -11.1983 -11.1983 -9.3010 -9.3010 -8.5405 -8.5405 5.6684 5.6684 14.2126 14.2126 17.6392 17.6392 17.7098 17.7098 18.2141 18.2141 24.1431 24.1431 24.9109 24.9109 25.7134 25.7134 27.0587 27.0587 k = 0.3254 0.1879-0.0000 ( 750 PWs) bands (ev): -33.6416 -33.6416 -11.2157 -11.2157 -9.3176 -9.3176 -8.5399 -8.5399 5.7119 5.7119 14.1766 14.1766 17.5973 17.5973 17.7498 17.7498 18.2107 18.2107 24.1581 24.1581 24.8944 24.8944 25.7256 25.7256 27.0839 27.0839 k = 0.3333 0.1925-0.0000 ( 750 PWs) bands (ev): -33.6374 -33.6374 -11.2329 -11.2329 -9.3335 -9.3335 -8.5392 -8.5392 5.7541 5.7541 14.1428 14.1428 17.5531 17.5531 17.7925 17.7925 18.2043 18.2043 24.1780 24.1780 24.8785 24.8785 25.7387 25.7387 27.1075 27.1075 k = 0.3413 0.1970-0.0000 ( 750 PWs) bands (ev): -33.6332 -33.6332 -11.2497 -11.2497 -9.3487 -9.3487 -8.5386 -8.5386 5.7950 5.7950 14.1113 14.1113 17.5099 17.5099 17.8345 17.8345 18.1953 18.1953 24.2026 24.2026 24.8630 24.8630 25.7526 25.7526 27.1293 27.1293 k = 0.3492 0.2016-0.0000 ( 746 PWs) bands (ev): -33.6290 -33.6290 -11.2661 -11.2661 -9.3633 -9.3633 -8.5379 -8.5379 5.8344 5.8344 14.0819 14.0819 17.4682 17.4682 17.8752 17.8752 18.1840 18.1840 24.2314 24.2314 24.8481 24.8481 25.7672 25.7672 27.1495 27.1495 k = 0.3571 0.2062-0.0000 ( 746 PWs) bands (ev): -33.6252 -33.6252 -11.2820 -11.2820 -9.3771 -9.3771 -8.5372 -8.5372 5.8723 5.8723 14.0547 14.0547 17.4282 17.4282 17.9142 17.9142 18.1708 18.1708 24.2639 24.2639 24.8338 24.8338 25.7824 25.7824 27.1681 27.1681 k = 0.3651 0.2108-0.0000 ( 744 PWs) bands (ev): -33.6213 -33.6213 -11.2974 -11.2974 -9.3902 -9.3902 -8.5365 -8.5365 5.9086 5.9086 14.0297 14.0297 17.3901 17.3901 17.9512 17.9512 18.1562 18.1562 24.2997 24.2997 24.8201 24.8201 25.7981 25.7981 27.1850 27.1850 k = 0.3730 0.2154-0.0000 ( 744 PWs) bands (ev): -33.6178 -33.6178 -11.3122 -11.3122 -9.4027 -9.4027 -8.5358 -8.5358 5.9432 5.9432 14.0067 14.0067 17.3539 17.3539 17.9855 17.9855 18.1410 18.1410 24.3382 24.3382 24.8071 24.8071 25.8141 25.8141 27.2006 27.2006 k = 0.3810 0.2199-0.0000 ( 744 PWs) bands (ev): -33.6144 -33.6144 -11.3264 -11.3264 -9.4143 -9.4143 -8.5352 -8.5352 5.9760 5.9760 13.9857 13.9857 17.3196 17.3196 18.0158 18.0158 18.1267 18.1267 24.3788 24.3788 24.7947 24.7947 25.8303 25.8303 27.2147 27.2147 k = 0.3889 0.2245-0.0000 ( 748 PWs) bands (ev): -33.6113 -33.6113 -11.3399 -11.3399 -9.4253 -9.4253 -8.5345 -8.5345 6.0070 6.0070 13.9666 13.9666 17.2874 17.2874 18.0384 18.0384 18.1174 18.1174 24.4208 24.4208 24.7830 24.7830 25.8464 25.8464 27.2275 27.2275 k = 0.3968 0.2291-0.0000 ( 752 PWs) bands (ev): -33.6085 -33.6085 -11.3528 -11.3528 -9.4355 -9.4355 -8.5339 -8.5339 6.0361 6.0361 13.9494 13.9494 17.2572 17.2572 18.0456 18.0456 18.1209 18.1209 24.4637 24.4637 24.7721 24.7721 25.8624 25.8624 27.2391 27.2391 k = 0.4048 0.2337-0.0000 ( 752 PWs) bands (ev): -33.6056 -33.6056 -11.3648 -11.3648 -9.4450 -9.4450 -8.5333 -8.5333 6.0633 6.0633 13.9339 13.9339 17.2291 17.2291 18.0374 18.0374 18.1378 18.1378 24.5067 24.5067 24.7620 24.7620 25.8782 25.8782 27.2495 27.2495 k = 0.4127 0.2383-0.0000 ( 752 PWs) bands (ev): -33.6029 -33.6029 -11.3760 -11.3760 -9.4537 -9.4537 -8.5327 -8.5327 6.0885 6.0885 13.9201 13.9201 17.2032 17.2032 18.0223 18.0223 18.1595 18.1595 24.5493 24.5493 24.7527 24.7527 25.8935 25.8935 27.2587 27.2587 k = 0.4206 0.2429-0.0000 ( 748 PWs) bands (ev): -33.6003 -33.6003 -11.3864 -11.3864 -9.4617 -9.4617 -8.5321 -8.5321 6.1116 6.1116 13.9079 13.9079 17.1794 17.1794 18.0053 18.0053 18.1817 18.1817 24.5907 24.5907 24.7445 24.7445 25.9082 25.9082 27.2670 27.2670 k = 0.4286 0.2474-0.0000 ( 748 PWs) bands (ev): -33.5981 -33.5981 -11.3959 -11.3959 -9.4689 -9.4689 -8.5316 -8.5316 6.1327 6.1327 13.8972 13.8972 17.1578 17.1578 17.9879 17.9879 18.2027 18.2027 24.6299 24.6299 24.7374 24.7374 25.9220 25.9220 27.2743 27.2743 k = 0.4365 0.2520-0.0000 ( 750 PWs) bands (ev): -33.5962 -33.5962 -11.4045 -11.4045 -9.4753 -9.4753 -8.5312 -8.5312 6.1517 6.1517 13.8879 13.8879 17.1384 17.1384 17.9711 17.9711 18.2220 18.2220 24.6656 24.6656 24.7322 24.7322 25.9349 25.9349 27.2805 27.2805 k = 0.4444 0.2566-0.0000 ( 746 PWs) bands (ev): -33.5942 -33.5942 -11.4121 -11.4121 -9.4810 -9.4810 -8.5308 -8.5308 6.1684 6.1684 13.8800 13.8800 17.1213 17.1213 17.9554 17.9554 18.2394 18.2394 24.6940 24.6940 24.7325 24.7325 25.9467 25.9467 27.2860 27.2860 k = 0.4524 0.2612-0.0000 ( 746 PWs) bands (ev): -33.5926 -33.5926 -11.4188 -11.4188 -9.4860 -9.4860 -8.5304 -8.5304 6.1830 6.1830 13.8733 13.8733 17.1064 17.1064 17.9412 17.9412 18.2545 18.2545 24.7055 24.7055 24.7470 24.7470 25.9572 25.9572 27.2906 27.2906 k = 0.4603 0.2658-0.0000 ( 746 PWs) bands (ev): -33.5913 -33.5913 -11.4245 -11.4245 -9.4901 -9.4901 -8.5301 -8.5301 6.1954 6.1954 13.8677 13.8677 17.0937 17.0937 17.9287 17.9287 18.2675 18.2675 24.7053 24.7053 24.7699 24.7699 25.9664 25.9664 27.2945 27.2945 k = 0.4683 0.2703-0.0000 ( 746 PWs) bands (ev): -33.5902 -33.5902 -11.4292 -11.4292 -9.4936 -9.4936 -8.5298 -8.5298 6.2056 6.2056 13.8633 13.8633 17.0834 17.0834 17.9182 17.9182 18.2782 18.2782 24.7030 24.7030 24.7915 24.7915 25.9740 25.9740 27.2976 27.2976 k = 0.4762 0.2749-0.0000 ( 746 PWs) bands (ev): -33.5894 -33.5894 -11.4329 -11.4329 -9.4962 -9.4962 -8.5296 -8.5296 6.2135 6.2135 13.8599 13.8599 17.0753 17.0753 17.9099 17.9099 18.2865 18.2865 24.7007 24.7007 24.8093 24.8093 25.9801 25.9801 27.2999 27.2999 k = 0.4841 0.2795-0.0000 ( 748 PWs) bands (ev): -33.5888 -33.5888 -11.4355 -11.4355 -9.4981 -9.4981 -8.5295 -8.5295 6.2192 6.2192 13.8575 13.8575 17.0695 17.0695 17.9038 17.9038 18.2925 18.2925 24.6989 24.6989 24.8223 24.8223 25.9844 25.9844 27.3016 27.3016 k = 0.4921 0.2841-0.0000 ( 748 PWs) bands (ev): -33.5885 -33.5885 -11.4371 -11.4371 -9.4993 -9.4993 -8.5294 -8.5294 6.2226 6.2226 13.8560 13.8560 17.0661 17.0661 17.9001 17.9001 18.2960 18.2960 24.6978 24.6978 24.8302 24.8302 25.9870 25.9870 27.3026 27.3026 k = 0.5000 0.2887-0.0000 ( 744 PWs) bands (ev): -33.5882 -33.5882 -11.4376 -11.4376 -9.4996 -9.4996 -8.5293 -8.5293 6.2238 6.2238 13.8556 13.8556 17.0649 17.0649 17.8989 17.8989 18.2973 18.2973 24.6974 24.6974 24.8329 24.8329 25.9880 25.9880 27.3030 27.3030 k = 0.5000 0.2887-0.0000 ( 744 PWs) bands (ev): -33.5882 -33.5882 -11.4376 -11.4376 -9.4996 -9.4996 -8.5293 -8.5293 6.2238 6.2238 13.8556 13.8556 17.0649 17.0649 17.8989 17.8989 18.2973 18.2973 24.6974 24.6974 24.8329 24.8329 25.9880 25.9880 27.3030 27.3030 k = 0.4954 0.2967-0.0000 ( 748 PWs) bands (ev): -33.5883 -33.5883 -11.4408 -11.4343 -9.5052 -9.4948 -8.5304 -8.5287 6.2202 6.2287 13.8553 13.8577 17.0645 17.0653 17.8752 17.9009 18.2987 18.3188 24.6883 24.6965 24.8246 24.8325 25.9754 25.9932 27.3046 27.3125 k = 0.4907 0.3047-0.0000 ( 750 PWs) bands (ev): -33.5883 -33.5883 -11.4437 -11.4307 -9.5115 -9.4906 -8.5318 -8.5284 6.2181 6.2351 13.8571 13.8618 17.0642 17.0658 17.8355 17.8813 18.3232 18.3577 24.6693 24.6854 24.8079 24.8235 25.9559 25.9912 27.3174 27.3330 k = 0.4861 0.3127-0.0000 ( 750 PWs) bands (ev): -33.5881 -33.5881 -11.4465 -11.4270 -9.5185 -9.4871 -8.5335 -8.5284 6.2173 6.2429 13.8607 13.8679 17.0639 17.0663 17.7859 17.8455 18.3653 18.4081 24.6412 24.6649 24.7827 24.8057 25.9298 25.9819 27.3409 27.3639 k = 0.4815 0.3208-0.0000 ( 754 PWs) bands (ev): -33.5880 -33.5880 -11.4491 -11.4231 -9.5261 -9.4843 -8.5356 -8.5288 6.2180 6.2520 13.8663 13.8758 17.0636 17.0668 17.7303 17.7997 18.4188 18.4657 24.6047 24.6355 24.7493 24.7793 25.8979 25.9658 27.3745 27.4044 k = 0.4769 0.3288-0.0000 ( 754 PWs) bands (ev): -33.5876 -33.5876 -11.4515 -11.4190 -9.5344 -9.4822 -8.5380 -8.5295 6.2200 6.2624 13.8738 13.8856 17.0634 17.0674 17.6712 17.7479 18.4798 18.5285 24.5608 24.5980 24.7080 24.7442 25.8609 25.9432 27.4173 27.4534 k = 0.4722 0.3368-0.0000 ( 754 PWs) bands (ev): -33.5872 -33.5872 -11.4537 -11.4148 -9.5434 -9.4807 -8.5408 -8.5304 6.2234 6.2740 13.8833 13.8972 17.0631 17.0679 17.6098 17.6927 18.5458 18.5951 24.5105 24.5535 24.6590 24.7007 25.8195 25.9149 27.4682 27.5100 k = 0.4676 0.3448-0.0000 ( 754 PWs) bands (ev): -33.5866 -33.5866 -11.4558 -11.4104 -9.5529 -9.4799 -8.5438 -8.5317 6.2280 6.2868 13.8946 13.9107 17.0629 17.0685 17.5469 17.6351 18.6157 18.6649 24.4548 24.5031 24.6027 24.6490 25.7746 25.8814 27.5260 27.5729 k = 0.4630 0.3528-0.0000 ( 752 PWs) bands (ev): -33.5860 -33.5860 -11.4576 -11.4058 -9.5631 -9.4798 -8.5471 -8.5332 6.2338 6.3007 13.9079 13.9260 17.0627 17.0690 17.4828 17.5761 18.6888 18.7375 24.3947 24.4478 24.5395 24.5894 25.7268 25.8435 27.5897 27.6411 k = 0.4583 0.3608-0.0000 ( 756 PWs) bands (ev): -33.5855 -33.5855 -11.4594 -11.4012 -9.5738 -9.4803 -8.5506 -8.5349 6.2408 6.3157 13.9229 13.9430 17.0624 17.0695 17.4180 17.5161 18.7646 18.8127 24.3311 24.3886 24.4700 24.5224 25.6767 25.8016 27.6581 27.7134 k = 0.4537 0.3689-0.0000 ( 756 PWs) bands (ev): -33.5848 -33.5848 -11.4610 -11.3964 -9.5850 -9.4813 -8.5543 -8.5368 6.2489 6.3316 13.9398 13.9617 17.0621 17.0700 17.3524 17.4553 18.8430 18.8904 24.2647 24.3265 24.3948 24.4487 25.6249 25.7565 27.7302 27.7891 k = 0.4491 0.3769-0.0000 ( 756 PWs) bands (ev): -33.5840 -33.5840 -11.4624 -11.3916 -9.5968 -9.4830 -8.5581 -8.5388 6.2580 6.3483 13.9585 13.9820 17.0618 17.0704 17.2864 17.3940 18.9238 18.9706 24.1961 24.2621 24.3148 24.3688 25.5717 25.7087 27.8052 27.8671 k = 0.4444 0.3849-0.0000 ( 760 PWs) bands (ev): -33.5834 -33.5834 -11.4638 -11.3867 -9.6089 -9.4852 -8.5621 -8.5410 6.2679 6.3657 13.9789 14.0040 17.0613 17.0707 17.2200 17.3322 19.0071 19.0533 24.1255 24.1960 24.2309 24.2837 25.5174 25.6585 27.8820 27.9467 k = 0.4398 0.3929-0.0000 ( 758 PWs) bands (ev): -33.5824 -33.5824 -11.4650 -11.3817 -9.6215 -9.4879 -8.5661 -8.5432 6.2787 6.3838 14.0009 14.0274 17.0608 17.0709 17.1534 17.2702 19.0928 19.1385 24.0527 24.1283 24.1446 24.1947 25.4623 25.6065 27.9600 28.0271 k = 0.4352 0.4009-0.0000 ( 758 PWs) bands (ev): -33.5815 -33.5815 -11.4662 -11.3767 -9.6343 -9.4911 -8.5702 -8.5455 6.2902 6.4023 14.0246 14.0523 17.0593 17.0709 17.0874 17.2082 19.1809 19.2263 23.9763 24.0575 24.0583 24.1044 25.4066 25.5529 28.0383 28.1076 k = 0.4306 0.4090-0.0000 ( 758 PWs) bands (ev): -33.5805 -33.5805 -11.4672 -11.3717 -9.6474 -9.4948 -8.5742 -8.5479 6.3023 6.4213 14.0498 14.0786 17.0183 17.0607 17.0707 17.1463 19.2715 19.3165 23.8940 23.9754 23.9772 24.0205 25.3503 25.4982 28.1164 28.1877 k = 0.4259 0.4170-0.0000 ( 758 PWs) bands (ev): -33.5795 -33.5795 -11.4683 -11.3668 -9.6607 -9.4988 -8.5783 -8.5502 6.3149 6.4405 14.0765 14.1061 16.9518 17.0595 17.0677 17.0870 19.3644 19.4092 23.8040 23.8830 23.8987 23.9485 25.2937 25.4424 28.1937 28.2666 k = 0.4213 0.4250-0.0000 ( 760 PWs) bands (ev): -33.5786 -33.5786 -11.4692 -11.3619 -9.6741 -9.5032 -8.5823 -8.5525 6.3279 6.4599 14.1045 14.1347 16.8850 17.0202 17.0585 17.0722 19.4596 19.5045 23.7073 23.7812 23.8279 23.8830 25.2368 25.3860 28.2696 28.3441 k = 0.4167 0.4330-0.0000 ( 752 PWs) bands (ev): -33.5772 -33.5772 -11.4701 -11.3571 -9.6876 -9.5078 -8.5861 -8.5547 6.3412 6.4793 14.1338 14.1643 16.8186 16.9592 17.0575 17.0713 19.5572 19.6022 23.6060 23.6758 23.7621 23.8210 25.1798 25.3293 28.3438 28.4197 k = 0.4120 0.4410-0.0000 ( 756 PWs) bands (ev): -33.5764 -33.5764 -11.4710 -11.3525 -9.7010 -9.5128 -8.5899 -8.5569 6.3546 6.4986 14.1642 14.1949 16.7525 16.8982 17.0563 17.0705 19.6571 19.7024 23.5016 23.5682 23.6998 23.7616 25.1229 25.2723 28.4156 28.4927 k = 0.4074 0.4491-0.0000 ( 756 PWs) bands (ev): -33.5753 -33.5753 -11.4719 -11.3480 -9.7142 -9.5179 -8.5935 -8.5590 6.3681 6.5177 14.1956 14.2261 16.6872 16.8379 17.0550 17.0697 19.7592 19.8049 23.3954 23.4591 23.6410 23.7048 25.0663 25.2155 28.4847 28.5629 k = 0.4028 0.4571-0.0000 ( 752 PWs) bands (ev): -33.5741 -33.5741 -11.4727 -11.3437 -9.7272 -9.5231 -8.5969 -8.5610 6.3816 6.5364 14.2278 14.2579 16.6226 16.7785 17.0536 17.0688 19.8634 19.9097 23.2879 23.3491 23.5855 23.6510 25.0103 25.1592 28.5508 28.6301 k = 0.3981 0.4651-0.0000 ( 752 PWs) bands (ev): -33.5731 -33.5731 -11.4736 -11.3395 -9.7400 -9.5283 -8.6001 -8.5629 6.3948 6.5546 14.2606 14.2900 16.5592 16.7201 17.0521 17.0678 19.9695 20.0167 23.1797 23.2386 23.5332 23.6000 24.9550 25.1035 28.6136 28.6938 k = 0.3935 0.4731-0.0000 ( 752 PWs) bands (ev): -33.5720 -33.5720 -11.4744 -11.3357 -9.7523 -9.5336 -8.6031 -8.5647 6.4078 6.5722 14.2938 14.3223 16.4972 16.6632 17.0504 17.0666 20.0774 20.1255 23.0712 23.1278 23.4842 23.5520 24.9007 25.0488 28.6729 28.7539 k = 0.3889 0.4811-0.0000 ( 752 PWs) bands (ev): -33.5710 -33.5710 -11.4753 -11.3320 -9.7641 -9.5389 -8.6059 -8.5663 6.4203 6.5892 14.3272 14.3544 16.4368 16.6080 17.0486 17.0652 20.1868 20.2362 22.9627 23.0171 23.4387 23.5073 24.8478 24.9955 28.7283 28.8100 k = 0.3843 0.4891-0.0000 ( 748 PWs) bands (ev): -33.5699 -33.5699 -11.4761 -11.3287 -9.7754 -9.5439 -8.6085 -8.5678 6.4324 6.6052 14.3604 14.3860 16.3785 16.5548 17.0467 17.0637 20.2974 20.3483 22.8545 22.9067 23.3967 23.4659 24.7966 24.9440 28.7797 28.8621 k = 0.3796 0.4972-0.0000 ( 748 PWs) bands (ev): -33.5690 -33.5690 -11.4770 -11.3256 -9.7860 -9.5489 -8.6108 -8.5692 6.4439 6.6204 14.3931 14.4169 16.3226 16.5040 17.0448 17.0622 20.4088 20.4615 22.7471 22.7968 23.3581 23.4279 24.7474 24.8945 28.8269 28.9099 k = 0.3750 0.5052-0.0000 ( 748 PWs) bands (ev): -33.5681 -33.5681 -11.4779 -11.3229 -9.7958 -9.5535 -8.6129 -8.5704 6.4546 6.6345 14.4250 14.4468 16.2695 16.4559 17.0428 17.0605 20.5206 20.5755 22.6406 22.6878 23.3232 23.3935 24.7006 24.8475 28.8698 28.9532 k = 0.3704 0.5132-0.0000 ( 748 PWs) bands (ev): -33.5673 -33.5673 -11.4787 -11.3205 -9.8049 -9.5579 -8.6147 -8.5715 6.4646 6.6475 14.4555 14.4751 16.2198 16.4111 17.0408 17.0588 20.6322 20.6897 22.5356 22.5799 23.2920 23.3625 24.6566 24.8033 28.9082 28.9921 k = 0.3657 0.5212-0.0000 ( 752 PWs) bands (ev): -33.5668 -33.5668 -11.4796 -11.3185 -9.8130 -9.5620 -8.6163 -8.5724 6.4737 6.6592 14.4843 14.5015 16.1739 16.3700 17.0389 17.0571 20.7428 20.8034 22.4324 22.4736 23.2644 23.3352 24.6158 24.7625 28.9421 29.0264 k = 0.3611 0.5292-0.0000 ( 752 PWs) bands (ev): -33.5661 -33.5661 -11.4804 -11.3167 -9.8202 -9.5656 -8.6177 -8.5732 6.4818 6.6696 14.5108 14.5256 16.1324 16.3330 17.0370 17.0555 20.8513 20.9157 22.3319 22.3693 23.2406 23.3116 24.5788 24.7255 28.9714 29.0560 k = 0.3565 0.5373-0.0000 ( 752 PWs) bands (ev): -33.5655 -33.5655 -11.4811 -11.3153 -9.8264 -9.5687 -8.6188 -8.5739 6.4888 6.6786 14.5345 14.5469 16.0959 16.3006 17.0352 17.0539 20.9564 21.0254 22.2351 22.2680 23.2205 23.2916 24.5461 24.6928 28.9962 29.0810 k = 0.3519 0.5453-0.0000 ( 752 PWs) bands (ev): -33.5650 -33.5650 -11.4818 -11.3142 -9.8316 -9.5714 -8.6197 -8.5744 6.4947 6.6861 14.5548 14.5650 16.0651 16.2734 17.0336 17.0525 21.0556 21.1304 22.1438 22.1712 23.2042 23.2753 24.5181 24.6649 29.0163 29.1014 k = 0.3472 0.5533-0.0000 ( 748 PWs) bands (ev): -33.5645 -33.5645 -11.4823 -11.3134 -9.8356 -9.5735 -8.6204 -8.5748 6.4994 6.6921 14.5712 14.5796 16.0405 16.2517 17.0323 17.0513 21.1456 21.2274 22.0611 22.0817 23.1915 23.2627 24.4954 24.6424 29.0319 29.1171 k = 0.3426 0.5613-0.0000 ( 744 PWs) bands (ev): -33.5640 -33.5640 -11.4827 -11.3128 -9.8385 -9.5750 -8.6209 -8.5750 6.5029 6.6964 14.5833 14.5902 16.0225 16.2360 17.0313 17.0503 21.2205 21.3107 21.9921 22.0045 23.1826 23.2537 24.4785 24.6256 29.0430 29.1283 k = 0.3380 0.5693-0.0000 ( 744 PWs) bands (ev): -33.5638 -33.5638 -11.4830 -11.3126 -9.8402 -9.5760 -8.6212 -8.5752 6.5050 6.6990 14.5906 14.5966 16.0116 16.2264 17.0306 17.0497 21.2720 21.3701 21.9446 21.9493 23.1772 23.2483 24.4679 24.6152 29.0495 29.1349 k = 0.3333 0.5774-0.0000 ( 744 PWs) bands (ev): -33.5637 -33.5637 -11.4831 -11.3125 -9.8408 -9.5763 -8.6212 -8.5752 6.5057 6.6999 14.5931 14.5988 16.0079 16.2232 17.0304 17.0495 21.2905 21.3922 21.9276 21.9287 23.1755 23.2466 24.4643 24.6116 29.0517 29.1371 k = 0.3333 0.5774-0.0000 ( 744 PWs) bands (ev): -33.5637 -33.5637 -11.4831 -11.3125 -9.8408 -9.5763 -8.6212 -8.5752 6.5057 6.6999 14.5931 14.5988 16.0079 16.2232 17.0304 17.0495 21.2905 21.3922 21.9276 21.9287 23.1755 23.2466 24.4643 24.6116 29.0517 29.1371 k = 0.3287 0.5693-0.0000 ( 744 PWs) bands (ev): -33.5638 -33.5638 -11.4830 -11.3125 -9.8402 -9.5760 -8.6212 -8.5752 6.5050 6.6990 14.5906 14.5966 16.0115 16.2264 17.0306 17.0497 21.2725 21.3708 21.9439 21.9484 23.1772 23.2483 24.4681 24.6154 29.0496 29.1350 k = 0.3241 0.5613-0.0000 ( 748 PWs) bands (ev): -33.5642 -33.5642 -11.4826 -11.3128 -9.8385 -9.5750 -8.6209 -8.5751 6.5027 6.6962 14.5835 14.5904 16.0223 16.2359 17.0315 17.0505 21.2244 21.3153 21.9866 21.9982 23.1824 23.2535 24.4797 24.6267 29.0432 29.1285 k = 0.3194 0.5533-0.0000 ( 748 PWs) bands (ev): -33.5645 -33.5645 -11.4820 -11.3130 -9.8356 -9.5733 -8.6205 -8.5748 6.4990 6.6916 14.5721 14.5803 16.0398 16.2513 17.0330 17.0520 21.1563 21.2395 22.0451 22.0637 23.1909 23.2622 24.4995 24.6461 29.0328 29.1181 k = 0.3148 0.5453-0.0000 ( 748 PWs) bands (ev): -33.5650 -33.5650 -11.4810 -11.3133 -9.8315 -9.5710 -8.6199 -8.5745 6.4937 6.6852 14.5569 14.5667 16.0636 16.2724 17.0352 17.0541 21.0762 21.1529 22.1111 22.1351 23.2027 23.2741 24.5278 24.6735 29.0185 29.1036 k = 0.3102 0.5373-0.0000 ( 748 PWs) bands (ev): -33.5656 -33.5656 -11.4797 -11.3135 -9.8263 -9.5680 -8.6192 -8.5742 6.4868 6.6767 14.5384 14.5500 16.0931 16.2988 17.0383 17.0570 20.9890 21.0605 22.1791 22.2070 23.2176 23.2893 24.5644 24.7090 29.0004 29.0854 k = 0.3056 0.5292-0.0000 ( 748 PWs) bands (ev): -33.5664 -33.5664 -11.4779 -11.3136 -9.8200 -9.5643 -8.6184 -8.5737 6.4782 6.6664 14.5173 14.5309 16.1277 16.3299 17.0422 17.0608 20.8977 20.9648 22.2463 22.2766 23.2356 23.3076 24.6093 24.7524 28.9787 29.0635 k = 0.3009 0.5212-0.0000 ( 748 PWs) bands (ev): -33.5673 -33.5673 -11.4757 -11.3136 -9.8126 -9.5599 -8.6175 -8.5732 6.4680 6.6541 14.4943 14.5096 16.1667 16.3652 17.0471 17.0655 20.8038 20.8672 22.3110 22.3426 23.2566 23.3289 24.6620 24.8033 28.9534 29.0380 k = 0.2963 0.5132-0.0000 ( 748 PWs) bands (ev): -33.5684 -33.5684 -11.4731 -11.3134 -9.8042 -9.5549 -8.6164 -8.5727 6.4562 6.6398 14.4699 14.4869 16.2096 16.4042 17.0531 17.0713 20.7084 20.7687 22.3722 22.4044 23.2804 23.3531 24.7218 24.8610 28.9249 29.0092 k = 0.2917 0.5052-0.0000 ( 750 PWs) bands (ev): -33.5697 -33.5697 -11.4699 -11.3129 -9.7948 -9.5492 -8.6153 -8.5721 6.4426 6.6236 14.4446 14.4632 16.2556 16.4464 17.0602 17.0782 20.6122 20.6697 22.4298 22.4617 23.3069 23.3801 24.7879 24.9247 28.8931 28.9771 k = 0.2870 0.4972-0.0000 ( 750 PWs) bands (ev): -33.5712 -33.5712 -11.4662 -11.3121 -9.7844 -9.5429 -8.6141 -8.5715 6.4274 6.6054 14.4192 14.4389 16.3042 16.4913 17.0685 17.0862 20.5156 20.5707 22.4838 22.5149 23.3360 23.4097 24.8594 24.9935 28.8583 28.9420 k = 0.2824 0.4891-0.0000 ( 750 PWs) bands (ev): -33.5727 -33.5727 -11.4620 -11.3108 -9.7731 -9.5359 -8.6128 -8.5708 6.4104 6.5853 14.3939 14.4146 16.3550 16.5383 17.0780 17.0955 20.4190 20.4718 22.5342 22.5643 23.3676 23.4417 24.9350 25.0663 28.8206 28.9040 k = 0.2778 0.4811-0.0000 ( 750 PWs) bands (ev): -33.5745 -33.5745 -11.4571 -11.3092 -9.7609 -9.5283 -8.6114 -8.5701 6.3918 6.5632 14.3691 14.3905 16.4074 16.5871 17.0889 17.1061 20.3225 20.3733 22.5816 22.6104 23.4016 23.4761 25.0135 25.1420 28.7802 28.8633 k = 0.2731 0.4731-0.0000 ( 750 PWs) bands (ev): -33.5764 -33.5764 -11.4516 -11.3071 -9.7478 -9.5201 -8.6099 -8.5694 6.3715 6.5392 14.3454 14.3670 16.4610 16.6372 17.1012 17.1180 20.2264 20.2754 22.6264 22.6537 23.4379 23.5128 25.0937 25.2193 28.7373 28.8200 k = 0.2685 0.4651-0.0000 ( 750 PWs) bands (ev): -33.5785 -33.5785 -11.4454 -11.3045 -9.7340 -9.5114 -8.6084 -8.5687 6.3494 6.5133 14.3229 14.3445 16.5154 16.6883 17.1150 17.1315 20.1308 20.1780 22.6690 22.6949 23.4763 23.5515 25.1743 25.2971 28.6919 28.7742 k = 0.2639 0.4571-0.0000 ( 750 PWs) bands (ev): -33.5808 -33.5808 -11.4386 -11.3013 -9.7194 -9.5020 -8.6068 -8.5679 6.3257 6.4855 14.3019 14.3233 16.5701 16.7398 17.1302 17.1464 20.0359 20.0815 22.7099 22.7345 23.5167 23.5921 25.2542 25.3741 28.6443 28.7262 k = 0.2593 0.4491-0.0000 ( 750 PWs) bands (ev): -33.5832 -33.5832 -11.4311 -11.2975 -9.7041 -9.4921 -8.6052 -8.5672 6.3003 6.4559 14.2828 14.3036 16.6250 16.7915 17.1471 17.1629 19.9418 19.9859 22.7496 22.7730 23.5589 23.6345 25.3322 25.4493 28.5946 28.6760 k = 0.2546 0.4410-0.0000 ( 750 PWs) bands (ev): -33.5858 -33.5858 -11.4228 -11.2931 -9.6880 -9.4817 -8.6036 -8.5664 6.2733 6.4245 14.2656 14.2857 16.6794 16.8430 17.1656 17.1810 19.8487 19.8913 22.7885 22.8108 23.6029 23.6786 25.4072 25.5217 28.5428 28.6238 k = 0.2500 0.4330-0.0000 ( 754 PWs) bands (ev): -33.5888 -33.5888 -11.4139 -11.2882 -9.6714 -9.4708 -8.6019 -8.5656 6.2446 6.3913 14.2506 14.2698 16.7332 16.8939 17.1857 17.2007 19.7566 19.7978 22.8270 22.8484 23.6484 23.7242 25.4783 25.5902 28.4892 28.5698 k = 0.2454 0.4250-0.0000 ( 754 PWs) bands (ev): -33.5917 -33.5917 -11.4043 -11.2825 -9.6541 -9.4594 -8.6002 -8.5649 6.2144 6.3564 14.2380 14.2560 16.7860 16.9439 17.2076 17.2222 19.6657 19.7056 22.8654 22.8862 23.6954 23.7711 25.5447 25.6542 28.4339 28.5140 k = 0.2407 0.4170-0.0000 ( 750 PWs) bands (ev): -33.5946 -33.5946 -11.3939 -11.2761 -9.6362 -9.4475 -8.5985 -8.5641 6.1825 6.3198 14.2279 14.2445 16.8375 16.9927 17.2313 17.2454 19.5762 19.6147 22.9041 22.9243 23.7437 23.8194 25.6058 25.7128 28.3771 28.4566 k = 0.2361 0.4090-0.0000 ( 746 PWs) bands (ev): -33.5977 -33.5977 -11.3829 -11.2691 -9.6178 -9.4351 -8.5967 -8.5633 6.1492 6.2816 14.2204 14.2355 16.8873 17.0397 17.2567 17.2704 19.4881 19.5254 22.9432 22.9632 23.7932 23.8687 25.6608 25.7655 28.3187 28.3978 k = 0.2315 0.4009-0.0000 ( 742 PWs) bands (ev): -33.6009 -33.6009 -11.3711 -11.2614 -9.5988 -9.4222 -8.5949 -8.5625 6.1143 6.2418 14.2157 14.2290 16.9351 17.0849 17.2839 17.2971 19.4015 19.4375 22.9831 23.0030 23.8437 23.9190 25.7095 25.8119 28.2590 28.3375 k = 0.2269 0.3929-0.0000 ( 742 PWs) bands (ev): -33.6045 -33.6045 -11.3586 -11.2531 -9.5794 -9.4089 -8.5932 -8.5618 6.0780 6.2005 14.2137 14.2253 16.9805 17.1277 17.3129 17.3256 19.3166 19.3514 23.0239 23.0438 23.8950 23.9700 25.7515 25.8516 28.1979 28.2759 k = 0.2222 0.3849-0.0000 ( 742 PWs) bands (ev): -33.6082 -33.6082 -11.3455 -11.2440 -9.5595 -9.3952 -8.5914 -8.5611 6.0402 6.1578 14.2146 14.2243 17.0233 17.1678 17.3438 17.3560 19.2335 19.2671 23.0657 23.0859 23.9471 24.0218 25.7867 25.8845 28.1357 28.2131 k = 0.2176 0.3769-0.0000 ( 736 PWs) bands (ev): -33.6118 -33.6118 -11.3317 -11.2343 -9.5390 -9.3811 -8.5896 -8.5603 6.0012 6.1137 14.2184 14.2262 17.0632 17.2049 17.3765 17.3882 19.1524 19.1847 23.1087 23.1293 23.9997 24.0740 25.8153 25.9109 28.0725 28.1493 k = 0.2130 0.3689-0.0000 ( 736 PWs) bands (ev): -33.6157 -33.6157 -11.3173 -11.2240 -9.5182 -9.3665 -8.5878 -8.5596 5.9608 6.0683 14.2252 14.2311 17.0997 17.2386 17.4110 17.4222 19.0735 19.1044 23.1530 23.1742 24.0528 24.1267 25.8371 25.9305 28.0082 28.0844 k = 0.2083 0.3608-0.0000 ( 736 PWs) bands (ev): -33.6198 -33.6198 -11.3023 -11.2131 -9.4970 -9.3515 -8.5860 -8.5589 5.9191 6.0217 14.2350 14.2389 17.1327 17.2686 17.4473 17.4581 18.9968 19.0263 23.1987 23.2205 24.1061 24.1796 25.8526 25.9438 27.9430 28.0186 k = 0.2037 0.3528-0.0000 ( 740 PWs) bands (ev): -33.6242 -33.6242 -11.2868 -11.2017 -9.4754 -9.3362 -8.5842 -8.5582 5.8763 5.9739 14.2479 14.2498 17.1618 17.2945 17.4854 17.4957 18.9225 18.9505 23.2458 23.2684 24.1597 24.2326 25.8621 25.9511 27.8770 27.9519 k = 0.1991 0.3448-0.0000 ( 740 PWs) bands (ev): -33.6285 -33.6285 -11.2707 -11.1896 -9.4534 -9.3204 -8.5825 -8.5575 5.8324 5.9250 14.2637 14.2638 17.1867 17.3161 17.5253 17.5352 18.8508 18.8772 23.2945 23.3180 24.2132 24.2856 25.8663 25.9531 27.8103 27.8845 k = 0.1944 0.3368-0.0000 ( 740 PWs) bands (ev): -33.6330 -33.6330 -11.2542 -11.1771 -9.4310 -9.3043 -8.5807 -8.5568 5.7874 5.8752 14.2807 14.2828 17.2071 17.3330 17.5670 17.5764 18.7817 18.8063 23.3448 23.3693 24.2667 24.3384 25.8656 25.9504 27.7429 27.8164 k = 0.1898 0.3288-0.0000 ( 736 PWs) bands (ev): -33.6373 -33.6373 -11.2372 -11.1640 -9.4083 -9.2877 -8.5789 -8.5561 5.7414 5.8244 14.3007 14.3048 17.2230 17.3450 17.6104 17.6194 18.7155 18.7382 23.3967 23.4222 24.3199 24.3909 25.8608 25.9435 27.6750 27.7477 k = 0.1852 0.3208-0.0000 ( 740 PWs) bands (ev): -33.6421 -33.6421 -11.2198 -11.1505 -9.3853 -9.2708 -8.5772 -8.5555 5.6946 5.7729 14.3238 14.3298 17.2339 17.3518 17.6554 17.6641 18.6521 18.6727 23.4502 23.4769 24.3727 24.4430 25.8523 25.9330 27.6065 27.6784 k = 0.1806 0.3127-0.0000 ( 742 PWs) bands (ev): -33.6469 -33.6469 -11.2021 -11.1367 -9.3620 -9.2535 -8.5755 -8.5548 5.6469 5.7206 14.3500 14.3578 17.2399 17.3534 17.7022 17.7106 18.5915 18.6099 23.5054 23.5332 24.4250 24.4946 25.8410 25.9197 27.5375 27.6087 k = 0.1759 0.3047-0.0000 ( 740 PWs) bands (ev): -33.6515 -33.6515 -11.1841 -11.1224 -9.3384 -9.2359 -8.5738 -8.5542 5.5985 5.6676 14.3792 14.3888 17.2409 17.3498 17.7505 17.7586 18.5339 18.5498 23.5624 23.5912 24.4768 24.5455 25.8275 25.9043 27.4682 27.5385 k = 0.1713 0.2967-0.0000 ( 740 PWs) bands (ev): -33.6564 -33.6564 -11.1659 -11.1079 -9.3145 -9.2179 -8.5721 -8.5535 5.5494 5.6141 14.4113 14.4226 17.2369 17.3409 17.8005 17.8082 18.4789 18.4924 23.6209 23.6510 24.5278 24.5956 25.8123 25.8874 27.3985 27.4679 k = 0.1667 0.2887-0.0000 ( 740 PWs) bands (ev): -33.6612 -33.6612 -11.1475 -11.0931 -9.2904 -9.1995 -8.5705 -8.5529 5.4997 5.5602 14.4464 14.4594 17.2279 17.3269 17.8519 17.8594 18.4265 18.4374 23.6812 23.7123 24.5780 24.6449 25.7962 25.8695 27.3285 27.3970 k = 0.1620 0.2807-0.0000 ( 740 PWs) bands (ev): -33.6661 -33.6661 -11.1289 -11.0781 -9.2661 -9.1808 -8.5689 -8.5523 5.4496 5.5060 14.4844 14.4989 17.2143 17.3081 17.9048 17.9120 18.3765 18.3848 23.7430 23.7753 24.6273 24.6931 25.7796 25.8513 27.2584 27.3258 k = 0.1574 0.2726-0.0000 ( 738 PWs) bands (ev): -33.6709 -33.6709 -11.1103 -11.0630 -9.2415 -9.1618 -8.5673 -8.5516 5.3991 5.4515 14.5252 14.5411 17.1962 17.2849 17.9591 17.9661 18.3285 18.3343 23.8065 23.8398 24.6755 24.7403 25.7632 25.8333 27.1881 27.2545 k = 0.1528 0.2646-0.0000 ( 742 PWs) bands (ev): -33.6760 -33.6760 -11.0917 -11.0477 -9.2168 -9.1425 -8.5657 -8.5510 5.3484 5.3968 14.5687 14.5859 17.1739 17.2576 18.0146 18.0214 18.2822 18.2856 23.8715 23.9058 24.7226 24.7863 25.7472 25.8159 27.1176 27.1830 k = 0.1481 0.2566-0.0000 ( 742 PWs) bands (ev): -33.6810 -33.6810 -11.0732 -11.0324 -9.1920 -9.1228 -8.5642 -8.5504 5.2974 5.3422 14.6148 14.6332 17.1480 17.2266 18.0713 18.0779 18.2373 18.2387 23.9380 23.9733 24.7685 24.8310 25.7322 25.7993 27.0472 27.1114 k = 0.1435 0.2486-0.0000 ( 742 PWs) bands (ev): -33.6859 -33.6859 -11.0547 -11.0171 -9.1670 -9.1029 -8.5626 -8.5498 5.2464 5.2876 14.6635 14.6830 17.1188 17.1926 18.1283 18.1356 18.1935 18.1938 24.0060 24.0421 24.8131 24.8743 25.7183 25.7840 26.9768 27.0398 k = 0.1389 0.2406-0.0000 ( 742 PWs) bands (ev): -33.6908 -33.6908 -11.0364 -11.0019 -9.1419 -9.0828 -8.5612 -8.5492 5.1954 5.2332 14.7145 14.7351 17.0868 17.1560 18.1453 18.1504 18.1910 18.1943 24.0752 24.1120 24.8564 24.9162 25.7058 25.7702 26.9065 26.9683 k = 0.1343 0.2325-0.0000 ( 742 PWs) bands (ev): -33.6957 -33.6957 -11.0184 -10.9868 -9.1168 -9.0625 -8.5597 -8.5486 5.1445 5.1790 14.7679 14.7893 17.0523 17.1172 18.1027 18.1077 18.2494 18.2539 24.1456 24.1831 24.8982 24.9567 25.6950 25.7579 26.8363 26.8969 k = 0.1296 0.2245-0.0000 ( 742 PWs) bands (ev): -33.7005 -33.7005 -11.0006 -10.9718 -9.0917 -9.0419 -8.5583 -8.5480 5.0939 5.1253 14.8234 14.8456 17.0160 17.0768 18.0594 18.0654 18.3099 18.3143 24.2171 24.2551 24.9386 24.9956 25.6858 25.7474 26.7665 26.8257 k = 0.1250 0.2165-0.0000 ( 746 PWs) bands (ev): -33.7055 -33.7055 -10.9832 -10.9570 -9.0667 -9.0213 -8.5569 -8.5475 5.0436 5.0721 14.8809 14.9037 16.9782 17.0352 18.0164 18.0231 18.3711 18.3754 24.2894 24.3278 24.9775 25.0330 25.6784 25.7386 26.6969 26.7548 k = 0.1204 0.2085-0.0000 ( 746 PWs) bands (ev): -33.7102 -33.7102 -10.9661 -10.9424 -9.0417 -9.0005 -8.5555 -8.5469 4.9938 5.0195 14.9402 14.9636 16.9392 16.9927 17.9736 17.9808 18.4330 18.4370 24.3626 24.4011 25.0148 25.0687 25.6729 25.7317 26.6278 26.6843 k = 0.1157 0.2005-0.0000 ( 742 PWs) bands (ev): -33.7147 -33.7147 -10.9494 -10.9281 -9.0169 -8.9796 -8.5542 -8.5463 4.9446 4.9676 15.0013 15.0250 16.8995 16.9497 17.9310 17.9385 18.4952 18.4990 24.4362 24.4749 25.0506 25.1029 25.6691 25.7265 26.5593 26.6143 k = 0.1111 0.1925-0.0000 ( 742 PWs) bands (ev): -33.7193 -33.7193 -10.9331 -10.9141 -8.9923 -8.9588 -8.5529 -8.5457 4.8961 4.9166 15.0638 15.0878 16.8595 16.9066 17.8886 17.8962 18.5577 18.5612 24.5102 24.5488 25.0847 25.1354 25.6669 25.7229 26.4914 26.5449 k = 0.1065 0.1844-0.0000 ( 742 PWs) bands (ev): -33.7238 -33.7238 -10.9174 -10.9005 -8.9680 -8.9380 -8.5516 -8.5450 4.8483 4.8666 15.1276 15.1518 16.8193 16.8635 17.8464 17.8539 18.6202 18.6235 24.5842 24.6226 25.1172 25.1662 25.6664 25.7209 26.4243 26.4762 k = 0.1019 0.1764-0.0000 ( 742 PWs) bands (ev): -33.7282 -33.7282 -10.9022 -10.8873 -8.9440 -8.9173 -8.5503 -8.5444 4.8015 4.8176 15.1925 15.2167 16.7793 16.8209 17.8044 17.8117 18.6827 18.6856 24.6579 24.6960 25.1481 25.1954 25.6674 25.7204 26.3580 26.4084 k = 0.0972 0.1684-0.0000 ( 748 PWs) bands (ev): -33.7327 -33.7327 -10.8876 -10.8745 -8.9204 -8.8968 -8.5491 -8.5438 4.7557 4.7699 15.2582 15.2823 16.7396 16.7787 17.7627 17.7696 18.7447 18.7474 24.7311 24.7686 25.1773 25.2229 25.6696 25.7211 26.2927 26.3415 k = 0.0926 0.1604-0.0000 ( 750 PWs) bands (ev): -33.7369 -33.7369 -10.8735 -10.8622 -8.8973 -8.8766 -8.5480 -8.5432 4.7111 4.7234 15.3245 15.3484 16.7006 16.7374 17.7214 17.7279 18.8063 18.8088 24.8035 24.8402 25.2050 25.2488 25.6729 25.7230 26.2287 26.2758 k = 0.0880 0.1524-0.0000 ( 742 PWs) bands (ev): -33.7405 -33.7405 -10.8600 -10.8502 -8.8747 -8.8567 -8.5468 -8.5426 4.6677 4.6784 15.3912 15.4148 16.6625 16.6970 17.6807 17.6867 18.8672 18.8694 24.8747 24.9105 25.2311 25.2732 25.6773 25.7259 26.1662 26.2116 k = 0.0833 0.1443-0.0000 ( 742 PWs) bands (ev): -33.7444 -33.7444 -10.8472 -10.8388 -8.8527 -8.8372 -8.5456 -8.5419 4.6257 4.6349 15.4580 15.4811 16.6254 16.6578 17.6406 17.6460 18.9271 18.9291 24.9441 24.9788 25.2556 25.2960 25.6823 25.7295 26.1051 26.1488 k = 0.0787 0.1363-0.0000 ( 742 PWs) bands (ev): -33.7481 -33.7481 -10.8351 -10.8280 -8.8314 -8.8181 -8.5444 -8.5412 4.5852 4.5930 15.5245 15.5471 16.5894 16.6198 17.6013 17.6061 18.9859 18.9876 25.0113 25.0446 25.2785 25.3173 25.6876 25.7335 26.0459 26.0878 k = 0.0741 0.1283-0.0000 ( 746 PWs) bands (ev): -33.7518 -33.7518 -10.8236 -10.8177 -8.8109 -8.7997 -8.5433 -8.5405 4.5464 4.5529 15.5905 15.6124 16.5548 16.5831 17.5628 17.5670 19.0433 19.0447 25.0756 25.1071 25.2998 25.3371 25.6929 25.7378 25.9888 26.0287 k = 0.0694 0.1203-0.0000 ( 746 PWs) bands (ev): -33.7552 -33.7552 -10.8128 -10.8079 -8.7913 -8.7819 -8.5422 -8.5398 4.5092 4.5146 15.6557 15.6768 16.5216 16.5481 17.5254 17.5290 19.0990 19.1002 25.1362 25.1656 25.3197 25.3556 25.6976 25.7419 25.9342 25.9719 k = 0.0648 0.1123-0.0000 ( 750 PWs) bands (ev): -33.7585 -33.7585 -10.8027 -10.7987 -8.7726 -8.7648 -8.5411 -8.5390 4.4738 4.4783 15.7197 15.7399 16.4901 16.5146 17.4892 17.4922 19.1528 19.1538 25.1919 25.2187 25.3381 25.3726 25.7005 25.7449 25.8828 25.9174 k = 0.0602 0.1042-0.0000 ( 750 PWs) bands (ev): -33.7616 -33.7616 -10.7933 -10.7901 -8.7549 -8.7486 -8.5399 -8.5382 4.4404 4.4440 15.7822 15.8015 16.4602 16.4830 17.4542 17.4567 19.2044 19.2053 25.2410 25.2645 25.3549 25.3881 25.6991 25.7450 25.8361 25.8643 k = 0.0556 0.0962-0.0000 ( 746 PWs) bands (ev): -33.7642 -33.7642 -10.7846 -10.7820 -8.7382 -8.7332 -8.5388 -8.5374 4.4090 4.4118 15.8428 15.8610 16.4322 16.4532 17.4207 17.4227 19.2537 19.2544 25.2807 25.3004 25.3697 25.4011 25.6889 25.7362 25.7970 25.8099 k = 0.0509 0.0882-0.0000 ( 742 PWs) bands (ev): -33.7666 -33.7666 -10.7766 -10.7746 -8.7228 -8.7188 -8.5376 -8.5365 4.3797 4.3819 15.9012 15.9182 16.4062 16.4253 17.3887 17.3903 19.3002 19.3008 25.3070 25.3224 25.3819 25.4103 25.6659 25.7043 25.7652 25.7658 k = 0.0463 0.0802-0.0000 ( 743 PWs) bands (ev): -33.7691 -33.7691 -10.7693 -10.7678 -8.7085 -8.7055 -8.5364 -8.5356 4.3526 4.3543 15.9568 15.9725 16.3821 16.3995 17.3584 17.3596 19.3438 19.3443 25.3134 25.3246 25.3915 25.4152 25.6372 25.6601 25.7364 25.7378 k = 0.0417 0.0722-0.0000 ( 747 PWs) bands (ev): -33.7714 -33.7714 -10.7627 -10.7617 -8.6956 -8.6934 -8.5353 -8.5347 4.3279 4.3291 16.0093 16.0237 16.3602 16.3758 17.3299 17.3309 19.3842 19.3845 25.2953 25.3024 25.4003 25.4193 25.6115 25.6255 25.7179 25.7207 k = 0.0370 0.0642-0.0000 ( 747 PWs) bands (ev): -33.7734 -33.7734 -10.7569 -10.7561 -8.6839 -8.6824 -8.5341 -8.5337 4.3055 4.3063 16.0583 16.0713 16.3405 16.3543 17.3035 17.3042 19.4211 19.4213 25.2576 25.2615 25.4087 25.4241 25.5878 25.5988 25.7134 25.7193 k = 0.0324 0.0561-0.0000 ( 747 PWs) bands (ev): -33.7752 -33.7752 -10.7517 -10.7512 -8.6737 -8.6726 -8.5330 -8.5327 4.2855 4.2861 16.1032 16.1147 16.3231 16.3351 17.2793 17.2797 19.4543 19.4545 25.2108 25.2129 25.4159 25.4283 25.5651 25.5747 25.7212 25.7291 k = 0.0278 0.0481-0.0000 ( 747 PWs) bands (ev): -33.7767 -33.7767 -10.7472 -10.7469 -8.6648 -8.6641 -8.5319 -8.5317 4.2681 4.2684 16.1436 16.1535 16.3080 16.3183 17.2575 17.2578 19.4836 19.4837 25.1629 25.1639 25.4212 25.4307 25.5447 25.5527 25.7358 25.7437 k = 0.0231 0.0401-0.0000 ( 749 PWs) bands (ev): -33.7781 -33.7781 -10.7435 -10.7433 -8.6573 -8.6569 -8.5310 -8.5308 4.2532 4.2534 16.1789 16.1872 16.2955 16.3040 17.2384 17.2385 19.5088 19.5089 25.1184 25.1189 25.4241 25.4307 25.5282 25.5340 25.7522 25.7587 k = 0.0185 0.0321-0.0000 ( 753 PWs) bands (ev): -33.7794 -33.7794 -10.7404 -10.7403 -8.6512 -8.6510 -8.5301 -8.5300 4.2410 4.2411 16.2086 16.2152 16.2856 16.2923 17.2222 17.2223 19.5297 19.5297 25.0799 25.0802 25.4246 25.4285 25.5161 25.5197 25.7672 25.7716 k = 0.0139 0.0241-0.0000 ( 753 PWs) bands (ev): -33.7802 -33.7802 -10.7380 -10.7380 -8.6465 -8.6464 -8.5294 -8.5293 4.2314 4.2314 16.2320 16.2367 16.2787 16.2834 17.2093 17.2093 19.5461 19.5461 25.0490 25.0490 25.4232 25.4249 25.5084 25.5100 25.7791 25.7813 k = 0.0093 0.0160-0.0000 ( 751 PWs) bands (ev): -33.7807 -33.7807 -10.7363 -10.7363 -8.6432 -8.6432 -8.5288 -8.5288 4.2245 4.2245 16.2482 16.2506 16.2755 16.2779 17.1998 17.1998 19.5579 19.5579 25.0263 25.0263 25.4207 25.4212 25.5038 25.5043 25.7872 25.7879 k = 0.0046 0.0080-0.0000 ( 745 PWs) bands (ev): -33.7808 -33.7808 -10.7353 -10.7353 -8.6412 -8.6412 -8.5284 -8.5284 4.2204 4.2204 16.2560 16.2564 16.2763 16.2767 17.1940 17.1940 19.5650 19.5650 25.0126 25.0126 25.4185 25.4186 25.5015 25.5015 25.7916 25.7918 k = 0.0000 0.0000 0.0000 ( 743 PWs) bands (ev): -33.7809 -33.7809 -10.7349 -10.7349 -8.6405 -8.6405 -8.5283 -8.5283 4.2190 4.2190 16.2577 16.2577 16.2773 16.2773 17.1921 17.1921 19.5673 19.5673 25.0079 25.0079 25.4176 25.4176 25.5007 25.5007 25.7930 25.7930 k = 0.0000 0.0000 0.0000 ( 743 PWs) bands (ev): -33.7809 -33.7809 -10.7349 -10.7349 -8.6405 -8.6405 -8.5283 -8.5283 4.2190 4.2190 16.2577 16.2577 16.2773 16.2773 17.1921 17.1921 19.5673 19.5673 25.0079 25.0079 25.4176 25.4176 25.5007 25.5007 25.7930 25.7930 k = 0.0000 0.0000 0.0092 ( 743 PWs) bands (ev): -33.7807 -33.7807 -10.7353 -10.7353 -8.6403 -8.6403 -8.5295 -8.5295 4.2208 4.2208 16.2578 16.2589 16.2780 16.2780 17.1914 17.1914 19.5678 19.5678 25.0100 25.0100 25.3844 25.3844 25.4146 25.5123 25.7773 25.8643 k = 0.0000 0.0000 0.0184 ( 743 PWs) bands (ev): -33.7801 -33.7801 -10.7363 -10.7363 -8.6399 -8.6399 -8.5331 -8.5331 4.2263 4.2263 16.2594 16.2616 16.2801 16.2801 17.1893 17.1893 19.5694 19.5694 25.0161 25.0161 25.3035 25.3035 25.3043 25.4348 25.8433 25.9350 k = 0.0000 0.0000 0.0276 ( 743 PWs) bands (ev): -33.7792 -33.7792 -10.7381 -10.7381 -8.6391 -8.6391 -8.5391 -8.5391 4.2354 4.2354 16.2624 16.2656 16.2835 16.2835 17.1855 17.1855 19.5722 19.5722 25.0263 25.0263 25.1847 25.1993 25.1993 25.3244 25.9354 26.0222 k = 0.0000 0.0000 0.0368 ( 737 PWs) bands (ev): -33.7776 -33.7776 -10.7405 -10.7405 -8.6380 -8.6380 -8.5474 -8.5474 4.2481 4.2481 16.2668 16.2711 16.2883 16.2883 17.1799 17.1799 19.5767 19.5767 25.0402 25.0402 25.0604 25.0842 25.0842 25.2031 26.0312 26.1138 k = 0.0000 0.0000 0.0460 ( 737 PWs) bands (ev): -33.7760 -33.7760 -10.7437 -10.7437 -8.6365 -8.6365 -8.5579 -8.5579 4.2643 4.2643 16.2726 16.2780 16.2945 16.2945 17.1720 17.1720 19.5832 19.5832 24.9327 24.9615 24.9615 25.0592 25.0592 25.0766 26.1250 26.2049 k = 0.0000 0.0000 0.0552 ( 737 PWs) bands (ev): -33.7740 -33.7740 -10.7476 -10.7476 -8.6348 -8.6348 -8.5707 -8.5707 4.2840 4.2840 16.2797 16.2862 16.3020 16.3020 17.1613 17.1613 19.5925 19.5925 24.8027 24.8356 24.8356 24.9470 25.0812 25.0812 26.2147 26.2930 k = 0.0000 0.0000 0.0644 ( 737 PWs) bands (ev): -33.7717 -33.7717 -10.7522 -10.7522 -8.6328 -8.6328 -8.5856 -8.5856 4.3072 4.3072 16.2882 16.2958 16.3109 16.3109 17.1474 17.1474 19.6052 19.6052 24.6710 24.7071 24.7071 24.8154 25.1070 25.1070 26.2993 26.3766 k = 0.0000 0.0000 0.0736 ( 737 PWs) bands (ev): -33.7690 -33.7690 -10.7577 -10.7577 -8.6305 -8.6305 -8.6024 -8.6024 4.3337 4.3337 16.2981 16.3067 16.3210 16.3210 17.1298 17.1298 19.6221 19.6221 24.5382 24.5769 24.5769 24.6824 25.1366 25.1366 26.3779 26.4549 k = 0.0000 0.0000 0.0828 ( 737 PWs) bands (ev): -33.7659 -33.7659 -10.7639 -10.7639 -8.6278 -8.6278 -8.6212 -8.6212 4.3636 4.3636 16.3092 16.3190 16.3324 16.3324 17.1078 17.1078 19.6438 19.6438 24.4046 24.4456 24.4456 24.5486 25.1698 25.1698 26.4502 26.5271 k = 0.0000 0.0000 0.0920 ( 737 PWs) bands (ev): -33.7626 -33.7626 -10.7711 -10.7711 -8.6416 -8.6416 -8.6249 -8.6249 4.3967 4.3967 16.3216 16.3325 16.3451 16.3451 17.0809 17.0809 19.6712 19.6712 24.2706 24.3138 24.3138 24.4144 25.2064 25.2064 26.5155 26.5926 k = 0.0000 0.0000 0.1012 ( 737 PWs) bands (ev): -33.7589 -33.7589 -10.7790 -10.7790 -8.6637 -8.6637 -8.6218 -8.6218 4.4328 4.4328 16.3352 16.3472 16.3589 16.3589 17.0486 17.0486 19.7049 19.7049 24.1367 24.1819 24.1819 24.2802 25.2464 25.2464 26.5737 26.6512 k = 0.0000 0.0000 0.1104 ( 737 PWs) bands (ev): -33.7549 -33.7549 -10.7879 -10.7879 -8.6872 -8.6872 -8.6183 -8.6183 4.4720 4.4720 16.3500 16.3632 16.3739 16.3739 17.0107 17.0107 19.7455 19.7455 24.0030 24.0503 24.0503 24.1463 25.2896 25.2896 26.6244 26.7023 k = 0.0000 0.0000 0.1196 ( 737 PWs) bands (ev): -33.7506 -33.7506 -10.7978 -10.7978 -8.7119 -8.7119 -8.6146 -8.6146 4.5142 4.5142 16.3660 16.3803 16.3900 16.3900 16.9667 16.9667 19.7935 19.7935 23.8699 23.9193 23.9193 24.0130 25.3360 25.3360 26.6675 26.7459 k = 0.0000 0.0000 0.1288 ( 719 PWs) bands (ev): -33.7452 -33.7452 -10.8085 -10.8085 -8.7377 -8.7377 -8.6106 -8.6106 4.5591 4.5591 16.3832 16.3986 16.4072 16.4072 16.9167 16.9167 19.8493 19.8493 23.7380 23.7894 23.7894 23.8808 25.3855 25.3855 26.7028 26.7816 k = 0.0000 0.0000 0.1380 ( 719 PWs) bands (ev): -33.7404 -33.7404 -10.8203 -10.8203 -8.7645 -8.7645 -8.6064 -8.6064 4.6067 4.6067 16.4013 16.4180 16.4253 16.4253 16.8603 16.8603 19.9131 19.9131 23.6069 23.6606 23.6606 23.7496 25.4379 25.4379 26.7300 26.8093 k = 0.0000 0.0000 0.1472 ( 719 PWs) bands (ev): -33.7352 -33.7352 -10.8332 -10.8332 -8.7920 -8.7920 -8.6019 -8.6019 4.6569 4.6569 16.4205 16.4383 16.4443 16.4443 16.7980 16.7980 19.9850 19.9850 23.4774 23.5333 23.5333 23.6199 25.4933 25.4933 26.7492 26.8288 k = 0.0000 0.0000 0.1564 ( 719 PWs) bands (ev): -33.7298 -33.7298 -10.8471 -10.8471 -8.8201 -8.8201 -8.5973 -8.5973 4.7095 4.7095 16.4406 16.4596 16.4641 16.4641 16.7297 16.7297 20.0651 20.0651 23.3494 23.4078 23.4078 23.4919 25.5515 25.5515 26.7603 26.8403 k = 0.0000 0.0000 0.1656 ( 719 PWs) bands (ev): -33.7242 -33.7242 -10.8622 -10.8622 -8.8486 -8.8486 -8.5924 -8.5924 4.7645 4.7645 16.4616 16.4817 16.4842 16.4842 16.6563 16.6563 20.1532 20.1532 23.2235 23.2843 23.2843 23.3659 25.6124 25.6124 26.7636 26.8436 k = 0.0000 0.0000 0.1748 ( 719 PWs) bands (ev): -33.7184 -33.7184 -10.8783 -10.8783 -8.8773 -8.8773 -8.5874 -8.5874 4.8217 4.8217 16.4834 16.5025 16.5025 16.5047 16.5799 16.5799 20.2491 20.2491 23.0996 23.1631 23.1631 23.2420 25.6762 25.6762 26.7590 26.8391 k = 0.0000 0.0000 0.1840 ( 713 PWs) bands (ev): -33.7120 -33.7120 -10.8957 -10.8957 -8.9060 -8.9060 -8.5821 -8.5821 4.8809 4.8809 16.4808 16.4808 16.5059 16.5285 16.5392 16.5392 20.3527 20.3527 22.9782 23.0444 23.0444 23.1206 25.7426 25.7426 26.7468 26.8267 k = 0.0000 0.0000 0.1932 ( 713 PWs) bands (ev): -33.7058 -33.7058 -10.9142 -10.9142 -8.9346 -8.9346 -8.5767 -8.5767 4.9422 4.9422 16.3970 16.3970 16.5291 16.5529 16.5566 16.5566 20.4635 20.4635 22.8593 22.9284 22.9284 23.0018 25.8118 25.8118 26.7271 26.8068 k = 0.0000 0.0000 0.2024 ( 713 PWs) bands (ev): -33.6993 -33.6993 -10.9338 -10.9338 -8.9629 -8.9629 -8.5711 -8.5711 5.0052 5.0052 16.3044 16.3044 16.5529 16.5778 16.5790 16.5790 20.5812 20.5812 22.7433 22.8154 22.8154 22.8858 25.8837 25.8837 26.7003 26.7795 k = 0.0000 0.0000 0.2116 ( 713 PWs) bands (ev): -33.6927 -33.6927 -10.9547 -10.9547 -8.9908 -8.9908 -8.5654 -8.5654 5.0699 5.0699 16.2072 16.2072 16.5771 16.6025 16.6025 16.6033 20.7055 20.7055 22.6302 22.7055 22.7055 22.7727 25.9584 25.9584 26.6666 26.7452 k = 0.0000 0.0000 0.2208 ( 713 PWs) bands (ev): -33.6860 -33.6860 -10.9766 -10.9766 -9.0181 -9.0181 -8.5596 -8.5596 5.1363 5.1363 16.1064 16.1064 16.6018 16.6266 16.6266 16.6291 20.8359 20.8359 22.5203 22.5989 22.5989 22.6630 26.0359 26.0359 26.6263 26.7041 k = 0.0000 0.0000 0.2300 ( 713 PWs) bands (ev): -33.6791 -33.6791 -10.9997 -10.9997 -9.0448 -9.0448 -8.5537 -8.5537 5.2040 5.2040 16.0025 16.0025 16.6267 16.6510 16.6510 16.6552 20.9720 20.9720 22.4139 22.4959 22.4959 22.5565 26.1162 26.1162 26.5799 26.6568 k = 0.0000 0.0000 0.2392 ( 707 PWs) bands (ev): -33.6719 -33.6719 -11.0238 -11.0238 -9.0706 -9.0706 -8.5477 -8.5477 5.2731 5.2731 15.8960 15.8960 16.6519 16.6756 16.6756 16.6815 21.1134 21.1134 22.3110 22.3968 22.3968 22.4537 26.1993 26.1993 26.5277 26.6035 k = 0.0000 0.0000 0.2483 ( 719 PWs) bands (ev): -33.6653 -33.6653 -11.0491 -11.0491 -9.0956 -9.0956 -8.5416 -8.5416 5.3433 5.3433 15.7870 15.7870 16.6771 16.7003 16.7003 16.7079 21.2593 21.2593 22.2119 22.3015 22.3015 22.3546 26.2853 26.2853 26.4699 26.5447 k = 0.0000 0.0000 0.2575 ( 725 PWs) bands (ev): -33.6585 -33.6585 -11.0753 -11.0753 -9.1196 -9.1196 -8.5355 -8.5355 5.4146 5.4146 15.6763 15.6763 16.7024 16.7248 16.7248 16.7341 21.4093 21.4093 22.1167 22.2106 22.2106 22.2594 26.3736 26.3736 26.4072 26.4818 k = 0.0000 0.0000 0.2667 ( 725 PWs) bands (ev): -33.6513 -33.6513 -11.1024 -11.1024 -9.1426 -9.1426 -8.5293 -8.5293 5.4868 5.4868 15.5640 15.5640 16.7275 16.7492 16.7492 16.7603 21.5627 21.5627 22.0257 22.1245 22.1245 22.1682 26.3399 26.4071 26.4071 26.4720 k = 0.0000 0.0000 0.2759 ( 725 PWs) bands (ev): -33.6440 -33.6440 -11.1302 -11.1302 -9.1645 -9.1645 -8.5230 -8.5230 5.5598 5.5598 15.4506 15.4506 16.7524 16.7734 16.7734 16.7862 21.7174 21.7174 21.9389 22.0448 22.0448 22.0813 26.2685 26.3366 26.3366 26.4030 k = 0.0000 0.0000 0.2851 ( 725 PWs) bands (ev): -33.6368 -33.6368 -11.1588 -11.1588 -9.1853 -9.1853 -8.5168 -8.5168 5.6334 5.6334 15.3363 15.3363 16.7770 16.7970 16.7970 16.8116 21.8565 21.8607 21.8607 21.9838 21.9838 21.9986 26.1934 26.2599 26.2599 26.3258 k = 0.0000 0.0000 0.2943 ( 737 PWs) bands (ev): -33.6301 -33.6301 -11.1881 -11.1881 -9.2050 -9.2050 -8.5106 -8.5106 5.7076 5.7076 15.2215 15.2215 16.8011 16.8201 16.8201 16.8365 21.7785 21.8705 21.8705 21.9203 22.0629 22.0629 26.1149 26.1795 26.1795 26.2453 k = 0.0000 0.0000 0.3035 ( 737 PWs) bands (ev): -33.6229 -33.6229 -11.2177 -11.2177 -9.2235 -9.2235 -8.5044 -8.5044 5.7820 5.7820 15.1066 15.1066 16.8246 16.8427 16.8427 16.8608 21.7053 21.8090 21.8090 21.8466 22.2199 22.2199 26.0336 26.0959 26.0959 26.1619 k = 0.0000 0.0000 0.3127 ( 737 PWs) bands (ev): -33.6157 -33.6157 -11.2478 -11.2478 -9.2409 -9.2409 -8.4983 -8.4983 5.8567 5.8567 14.9917 14.9917 16.8476 16.8644 16.8644 16.8844 21.6369 21.7467 21.7467 21.7776 22.3835 22.3835 25.9498 26.0098 26.0098 26.0760 k = 0.0000 0.0000 0.3219 ( 737 PWs) bands (ev): -33.6086 -33.6086 -11.2781 -11.2781 -9.2571 -9.2571 -8.4922 -8.4922 5.9314 5.9314 14.8773 14.8773 16.8698 16.8854 16.8854 16.9070 21.5734 21.6881 21.6881 21.7132 22.5487 22.5487 25.8640 25.9215 25.9215 25.9879 k = 0.0000 0.0000 0.3311 ( 737 PWs) bands (ev): -33.6016 -33.6016 -11.3086 -11.3086 -9.2723 -9.2723 -8.4862 -8.4862 6.0060 6.0060 14.7637 14.7637 16.8911 16.9054 16.9054 16.9287 21.5147 21.6340 21.6340 21.6536 22.7141 22.7141 25.7766 25.8314 25.8314 25.8982 k = 0.0000 0.0000 0.3403 ( 737 PWs) bands (ev): -33.5947 -33.5947 -11.3390 -11.3390 -9.2863 -9.2863 -8.4803 -8.4803 6.0804 6.0804 14.6510 14.6510 16.9115 16.9244 16.9244 16.9494 21.4611 21.5847 21.5847 21.5987 22.8788 22.8788 25.6879 25.7399 25.7399 25.8072 k = 0.0000 0.0000 0.3495 ( 737 PWs) bands (ev): -33.5879 -33.5879 -11.3693 -11.3693 -9.2994 -9.2994 -8.4744 -8.4744 6.1542 6.1542 14.5397 14.5397 16.9309 16.9423 16.9423 16.9689 21.4124 21.5402 21.5402 21.5485 23.0421 23.0421 25.5985 25.6475 25.6475 25.7153 k = 0.0000 0.0000 0.3587 ( 737 PWs) bands (ev): -33.5813 -33.5813 -11.3993 -11.3993 -9.3114 -9.3114 -8.4688 -8.4688 6.2274 6.2274 14.4300 14.4300 16.9493 16.9590 16.9590 16.9871 21.3688 21.5006 21.5006 21.5031 23.2031 23.2031 25.5088 25.5546 25.5546 25.6230 k = 0.0000 0.0000 0.3679 ( 737 PWs) bands (ev): -33.5748 -33.5748 -11.4289 -11.4289 -9.3225 -9.3225 -8.4632 -8.4632 6.2998 6.2998 14.3222 14.3222 16.9665 16.9746 16.9746 17.0041 21.3301 21.4624 21.4657 21.4657 23.3612 23.3612 25.4191 25.4615 25.4615 25.5305 k = 0.0000 0.0000 0.3771 ( 737 PWs) bands (ev): -33.5686 -33.5686 -11.4579 -11.4579 -9.3327 -9.3327 -8.4578 -8.4578 6.3711 6.3711 14.2166 14.2166 16.9826 16.9890 16.9890 17.0198 21.2962 21.4262 21.4356 21.4356 23.5157 23.5157 25.3298 25.3688 25.3688 25.4384 k = 0.0000 0.0000 0.3863 ( 737 PWs) bands (ev): -33.5625 -33.5625 -11.4863 -11.4863 -9.3421 -9.3421 -8.4526 -8.4526 6.4412 6.4412 14.1136 14.1136 16.9976 17.0021 17.0021 17.0341 21.2672 21.3944 21.4102 21.4102 23.6657 23.6657 25.2414 25.2768 25.2768 25.3470 k = 0.0000 0.0000 0.3955 ( 737 PWs) bands (ev): -33.5566 -33.5566 -11.5139 -11.5139 -9.3506 -9.3506 -8.4476 -8.4476 6.5097 6.5097 14.0134 14.0134 17.0113 17.0140 17.0140 17.0471 21.2428 21.3669 21.3892 21.3892 23.8108 23.8108 25.1543 25.1860 25.1860 25.2567 k = 0.0000 0.0000 0.4047 ( 737 PWs) bands (ev): -33.5510 -33.5510 -11.5405 -11.5405 -9.3583 -9.3583 -8.4428 -8.4428 6.5765 6.5765 13.9164 13.9164 17.0239 17.0247 17.0247 17.0587 21.2229 21.3434 21.3724 21.3724 23.9501 23.9501 25.0690 25.0969 25.0969 25.1679 k = 0.0000 0.0000 0.4139 ( 737 PWs) bands (ev): -33.5456 -33.5456 -11.5662 -11.5662 -9.3653 -9.3653 -8.4382 -8.4382 6.6414 6.6414 13.8228 13.8228 17.0343 17.0343 17.0354 17.0690 21.2072 21.3238 21.3597 21.3597 24.0830 24.0830 24.9858 25.0099 25.0099 25.0811 k = 0.0000 0.0000 0.4231 ( 737 PWs) bands (ev): -33.5405 -33.5405 -11.5907 -11.5907 -9.3717 -9.3717 -8.4338 -8.4338 6.7039 6.7039 13.7331 13.7331 17.0427 17.0427 17.0458 17.0780 21.1956 21.3077 21.3507 21.3507 24.2089 24.2089 24.9051 24.9257 24.9257 24.9965 k = 0.0000 0.0000 0.4323 ( 737 PWs) bands (ev): -33.5357 -33.5357 -11.6139 -11.6139 -9.3774 -9.3774 -8.4297 -8.4297 6.7640 6.7640 13.6475 13.6475 17.0500 17.0500 17.0551 17.0857 21.1876 21.2949 21.3451 21.3451 24.3268 24.3268 24.8276 24.8451 24.8451 24.9148 k = 0.0000 0.0000 0.4415 ( 743 PWs) bands (ev): -33.5315 -33.5315 -11.6359 -11.6359 -9.3825 -9.3825 -8.4258 -8.4258 6.8212 6.8212 13.5663 13.5663 17.0563 17.0563 17.0634 17.0923 21.1830 21.2849 21.3425 21.3425 24.4350 24.4350 24.7534 24.7698 24.7698 24.8361 k = 0.0000 0.0000 0.4507 ( 743 PWs) bands (ev): -33.5273 -33.5273 -11.6564 -11.6564 -9.3871 -9.3871 -8.4222 -8.4222 6.8754 6.8754 13.4900 13.4900 17.0617 17.0617 17.0707 17.0978 21.1814 21.2775 21.3426 21.3426 24.5276 24.5276 24.6833 24.7060 24.7060 24.7611 k = 0.0000 0.0000 0.4599 ( 743 PWs) bands (ev): -33.5234 -33.5234 -11.6754 -11.6754 -9.3912 -9.3912 -8.4189 -8.4189 6.9261 6.9261 13.4189 13.4189 17.0662 17.0662 17.0772 17.1023 21.1825 21.2722 21.3450 21.3450 24.5674 24.5674 24.6176 24.6902 24.6909 24.6909 k = 0.0000 0.0000 0.4691 ( 737 PWs) bands (ev): -33.5196 -33.5196 -11.6928 -11.6928 -9.3947 -9.3947 -8.4158 -8.4158 6.9732 6.9732 13.3533 13.3533 17.0700 17.0700 17.0829 17.1059 21.1859 21.2686 21.3491 21.3491 24.5285 24.5285 24.5568 24.6237 24.7510 24.7510 k = 0.0000 0.0000 0.4783 ( 737 PWs) bands (ev): -33.5164 -33.5164 -11.7085 -11.7085 -9.3978 -9.3978 -8.4131 -8.4131 7.0163 7.0163 13.2935 13.2935 17.0732 17.0732 17.0880 17.1087 21.1910 21.2663 21.3546 21.3546 24.4740 24.4740 24.5013 24.5622 24.8229 24.8229 k = 0.0000 0.0000 0.4875 ( 737 PWs) bands (ev): -33.5135 -33.5135 -11.7226 -11.7226 -9.4005 -9.4005 -8.4107 -8.4107 7.0551 7.0551 13.2399 13.2399 17.0757 17.0757 17.0923 17.1107 21.1976 21.2648 21.3609 21.3609 24.4212 24.4212 24.4516 24.5061 24.8900 24.8900 k = 0.0000 0.0000 0.4967 ( 737 PWs) bands (ev): -33.5110 -33.5110 -11.7349 -11.7349 -9.4027 -9.4027 -8.4085 -8.4085 7.0894 7.0894 13.1927 13.1927 17.0777 17.0777 17.0961 17.1121 21.2051 21.2638 21.3676 21.3676 24.3732 24.3732 24.4081 24.4558 24.9492 24.9492 k = 0.0000 0.0000 0.5059 ( 743 PWs) bands (ev): -33.5092 -33.5092 -11.7454 -11.7454 -9.4046 -9.4046 -8.4067 -8.4067 7.1189 7.1189 13.1522 13.1522 17.0792 17.0792 17.0994 17.1128 21.2131 21.2629 21.3741 21.3741 24.3314 24.3314 24.3713 24.4117 24.9998 24.9998 k = 0.0000 0.0000 0.5151 ( 743 PWs) bands (ev): -33.5074 -33.5074 -11.7540 -11.7540 -9.4062 -9.4062 -8.4052 -8.4052 7.1433 7.1433 13.1188 13.1188 17.0804 17.0804 17.1023 17.1131 21.2213 21.2617 21.3802 21.3802 24.2964 24.2964 24.3414 24.3742 25.0416 25.0416 k = 0.0000 0.0000 0.5243 ( 743 PWs) bands (ev): -33.5060 -33.5060 -11.7607 -11.7607 -9.4073 -9.4073 -8.4041 -8.4041 7.1626 7.1626 13.0925 13.0925 17.0812 17.0812 17.1048 17.1129 21.2292 21.2599 21.3853 21.3853 24.2686 24.2686 24.3188 24.3437 25.0742 25.0742 k = 0.0000 0.0000 0.5335 ( 744 PWs) bands (ev): -33.5051 -33.5051 -11.7656 -11.7656 -9.4082 -9.4082 -8.4032 -8.4032 7.1764 7.1764 13.0736 13.0736 17.0818 17.0818 17.1070 17.1124 21.2366 21.2572 21.3893 21.3893 24.2485 24.2485 24.3037 24.3205 25.0975 25.0975 k = 0.0000 0.0000 0.5427 ( 744 PWs) bands (ev): -33.5045 -33.5045 -11.7685 -11.7685 -9.4086 -9.4086 -8.4027 -8.4027 7.1848 7.1848 13.0622 13.0622 17.0821 17.0821 17.1088 17.1115 21.2433 21.2536 21.3917 21.3917 24.2363 24.2363 24.2963 24.3047 25.1115 25.1115 k = 0.0000 0.0000 0.5519 ( 744 PWs) bands (ev): -33.5043 -33.5043 -11.7695 -11.7695 -9.4088 -9.4088 -8.4026 -8.4026 7.1876 7.1876 13.0584 13.0584 17.0823 17.0823 17.1103 17.1103 21.2490 21.2490 21.3925 21.3925 24.2323 24.2323 24.2966 24.2966 25.1162 25.1162 k = 0.0000 0.0000 0.5519 ( 744 PWs) bands (ev): -33.5043 -33.5043 -11.7695 -11.7695 -9.4088 -9.4088 -8.4026 -8.4026 7.1876 7.1876 13.0584 13.0584 17.0823 17.0823 17.1103 17.1103 21.2490 21.2490 21.3925 21.3925 24.2323 24.2323 24.2966 24.2966 25.1162 25.1162 k = 0.0079 0.0046 0.5519 ( 744 PWs) bands (ev): -33.5042 -33.5042 -11.7694 -11.7694 -9.4091 -9.4091 -8.4031 -8.4031 7.1865 7.1865 13.0601 13.0601 17.0811 17.0811 17.1092 17.1092 21.2482 21.2482 21.3918 21.3918 24.2332 24.2332 24.2977 24.2977 25.1208 25.1208 k = 0.0159 0.0092 0.5519 ( 744 PWs) bands (ev): -33.5039 -33.5039 -11.7690 -11.7690 -9.4101 -9.4101 -8.4046 -8.4046 7.1833 7.1833 13.0650 13.0650 17.0776 17.0776 17.1061 17.1061 21.2451 21.2451 21.3902 21.3902 24.2354 24.2354 24.3016 24.3016 25.1344 25.1344 k = 0.0238 0.0137 0.5519 ( 744 PWs) bands (ev): -33.5034 -33.5034 -11.7684 -11.7684 -9.4116 -9.4116 -8.4072 -8.4072 7.1779 7.1779 13.0731 13.0731 17.0712 17.0712 17.1014 17.1014 21.2381 21.2381 21.3897 21.3897 24.2368 24.2368 24.3103 24.3103 25.1569 25.1569 k = 0.0317 0.0183 0.5519 ( 744 PWs) bands (ev): -33.5026 -33.5026 -11.7676 -11.7676 -9.4138 -9.4138 -8.4108 -8.4108 7.1705 7.1705 13.0845 13.0845 17.0613 17.0613 17.0959 17.0959 21.2248 21.2248 21.3930 21.3930 24.2356 24.2356 24.3259 24.3259 25.1879 25.1879 k = 0.0397 0.0229 0.5519 ( 748 PWs) bands (ev): -33.5018 -33.5018 -11.7666 -11.7666 -9.4167 -9.4167 -8.4153 -8.4153 7.1609 7.1609 13.0989 13.0989 17.0477 17.0477 17.0898 17.0898 21.2039 21.2039 21.4019 21.4019 24.2313 24.2313 24.3489 24.3489 25.2268 25.2268 k = 0.0476 0.0275 0.5519 ( 752 PWs) bands (ev): -33.5008 -33.5008 -11.7653 -11.7653 -9.4201 -9.4201 -8.4209 -8.4209 7.1492 7.1492 13.1165 13.1165 17.0302 17.0302 17.0833 17.0833 21.1753 21.1753 21.4171 21.4171 24.2244 24.2244 24.3789 24.3789 25.2730 25.2730 k = 0.0556 0.0321 0.5519 ( 752 PWs) bands (ev): -33.4995 -33.4995 -11.7638 -11.7638 -9.4242 -9.4242 -8.4273 -8.4273 7.1355 7.1355 13.1370 13.1370 17.0093 17.0093 17.0760 17.0760 21.1400 21.1400 21.4384 21.4384 24.2156 24.2156 24.4153 24.4153 25.3260 25.3260 k = 0.0635 0.0367 0.5519 ( 750 PWs) bands (ev): -33.4978 -33.4978 -11.7622 -11.7622 -9.4289 -9.4289 -8.4347 -8.4347 7.1199 7.1199 13.1605 13.1605 16.9851 16.9851 17.0680 17.0680 21.0992 21.0992 21.4653 21.4653 24.2057 24.2057 24.4577 24.4577 25.3850 25.3850 k = 0.0714 0.0412 0.5519 ( 746 PWs) bands (ev): -33.4959 -33.4959 -11.7603 -11.7603 -9.4341 -9.4341 -8.4429 -8.4429 7.1023 7.1023 13.1867 13.1867 16.9579 16.9579 17.0590 17.0590 21.0540 21.0540 21.4972 21.4972 24.1952 24.1952 24.5057 24.5057 25.4492 25.4492 k = 0.0794 0.0458 0.5519 ( 746 PWs) bands (ev): -33.4939 -33.4939 -11.7582 -11.7582 -9.4400 -9.4400 -8.4520 -8.4520 7.0828 7.0828 13.2155 13.2155 16.9280 16.9280 17.0488 17.0488 21.0056 21.0056 21.5337 21.5337 24.1846 24.1846 24.5589 24.5589 25.5180 25.5180 k = 0.0873 0.0504 0.5519 ( 742 PWs) bands (ev): -33.4916 -33.4916 -11.7560 -11.7560 -9.4464 -9.4464 -8.4618 -8.4618 7.0615 7.0615 13.2469 13.2469 16.8954 16.8954 17.0375 17.0375 20.9549 20.9549 21.5747 21.5747 24.1744 24.1744 24.6171 24.6171 25.5907 25.5907 k = 0.0952 0.0550 0.5519 ( 742 PWs) bands (ev): -33.4892 -33.4892 -11.7536 -11.7536 -9.4534 -9.4534 -8.4724 -8.4724 7.0385 7.0385 13.2805 13.2805 16.8605 16.8605 17.0249 17.0249 20.9026 20.9026 21.6199 21.6199 24.1650 24.1650 24.6800 24.6800 25.6667 25.6667 k = 0.1032 0.0596 0.5519 ( 742 PWs) bands (ev): -33.4867 -33.4867 -11.7510 -11.7510 -9.4610 -9.4610 -8.4836 -8.4836 7.0138 7.0138 13.3163 13.3163 16.8234 16.8234 17.0109 17.0109 20.8496 20.8496 21.6693 21.6693 24.1568 24.1568 24.7473 24.7473 25.7452 25.7452 k = 0.1111 0.0642 0.5519 ( 742 PWs) bands (ev): -33.4840 -33.4840 -11.7484 -11.7484 -9.4691 -9.4691 -8.4955 -8.4955 6.9875 6.9875 13.3541 13.3541 16.7844 16.7844 16.9956 16.9956 20.7965 20.7965 21.7226 21.7226 24.1502 24.1502 24.8187 24.8187 25.8257 25.8257 k = 0.1190 0.0687 0.5519 ( 738 PWs) bands (ev): -33.4810 -33.4810 -11.7456 -11.7456 -9.4778 -9.4778 -8.5080 -8.5080 6.9597 6.9597 13.3936 13.3936 16.7436 16.7436 16.9788 16.9788 20.7441 20.7441 21.7799 21.7799 24.1455 24.1455 24.8941 24.8941 25.9078 25.9078 k = 0.1270 0.0733 0.5519 ( 734 PWs) bands (ev): -33.4778 -33.4778 -11.7426 -11.7426 -9.4870 -9.4870 -8.5209 -8.5209 6.9305 6.9305 13.4346 13.4346 16.7013 16.7013 16.9605 16.9605 20.6929 20.6929 21.8410 21.8410 24.1431 24.1431 24.9731 24.9731 25.9907 25.9907 k = 0.1349 0.0779 0.5519 ( 738 PWs) bands (ev): -33.4748 -33.4748 -11.7397 -11.7397 -9.4967 -9.4967 -8.5344 -8.5344 6.8999 6.8999 13.4769 13.4769 16.6575 16.6575 16.9407 16.9407 20.6434 20.6434 21.9057 21.9057 24.1431 24.1431 25.0555 25.0555 26.0742 26.0742 k = 0.1429 0.0825 0.5519 ( 738 PWs) bands (ev): -33.4715 -33.4715 -11.7366 -11.7366 -9.5069 -9.5069 -8.5483 -8.5483 6.8680 6.8680 13.5203 13.5203 16.6125 16.6125 16.9194 16.9194 20.5962 20.5962 21.9742 21.9742 24.1460 24.1460 25.1411 25.1411 26.1578 26.1578 k = 0.1508 0.0871 0.5519 ( 738 PWs) bands (ev): -33.4680 -33.4680 -11.7335 -11.7335 -9.5175 -9.5175 -8.5625 -8.5625 6.8350 6.8350 13.5645 13.5645 16.5665 16.5665 16.8966 16.8966 20.5517 20.5517 22.0463 22.0463 24.1520 24.1520 25.2295 25.2295 26.2412 26.2412 k = 0.1587 0.0916 0.5519 ( 734 PWs) bands (ev): -33.4643 -33.4643 -11.7304 -11.7304 -9.5286 -9.5286 -8.5769 -8.5769 6.8009 6.8009 13.6093 13.6093 16.5197 16.5197 16.8722 16.8722 20.5105 20.5105 22.1220 22.1220 24.1611 24.1611 25.3205 25.3205 26.3239 26.3239 k = 0.1667 0.0962 0.5519 ( 730 PWs) bands (ev): -33.4604 -33.4604 -11.7272 -11.7272 -9.5400 -9.5400 -8.5916 -8.5916 6.7658 6.7658 13.6543 13.6543 16.4722 16.4722 16.8464 16.8464 20.4729 20.4729 22.2011 22.2011 24.1736 24.1736 25.4140 25.4140 26.4058 26.4058 k = 0.1746 0.1008 0.5519 ( 730 PWs) bands (ev): -33.4566 -33.4566 -11.7241 -11.7241 -9.5519 -9.5519 -8.6065 -8.6065 6.7299 6.7299 13.6993 13.6993 16.4241 16.4241 16.8191 16.8191 20.4394 20.4394 22.2835 22.2835 24.1896 24.1896 25.5096 25.5096 26.4864 26.4864 k = 0.1825 0.1054 0.5519 ( 730 PWs) bands (ev): -33.4527 -33.4527 -11.7210 -11.7210 -9.5641 -9.5641 -8.6215 -8.6215 6.6932 6.6932 13.7441 13.7441 16.3756 16.3756 16.7905 16.7905 20.4102 20.4102 22.3692 22.3692 24.2091 24.2091 25.6070 25.6070 26.5656 26.5656 k = 0.1905 0.1100 0.5519 ( 726 PWs) bands (ev): -33.4485 -33.4485 -11.7179 -11.7179 -9.5766 -9.5766 -8.6365 -8.6365 6.6557 6.6557 13.7883 13.7883 16.3270 16.3270 16.7605 16.7605 20.3857 20.3857 22.4581 22.4581 24.2322 24.2322 25.7061 25.7061 26.6432 26.6432 k = 0.1984 0.1146 0.5519 ( 726 PWs) bands (ev): -33.4444 -33.4444 -11.7149 -11.7149 -9.5894 -9.5894 -8.6516 -8.6516 6.6177 6.6177 13.8318 13.8318 16.2782 16.2782 16.7293 16.7293 20.3663 20.3663 22.5500 22.5500 24.2589 24.2589 25.8066 25.8066 26.7189 26.7189 k = 0.2063 0.1191 0.5519 ( 730 PWs) bands (ev): -33.4404 -33.4404 -11.7120 -11.7120 -9.6025 -9.6025 -8.6666 -8.6666 6.5792 6.5792 13.8742 13.8742 16.2294 16.2294 16.6969 16.6969 20.3521 20.3521 22.6448 22.6448 24.2892 24.2892 25.9083 25.9083 26.7926 26.7926 k = 0.2143 0.1237 0.5519 ( 730 PWs) bands (ev): -33.4362 -33.4362 -11.7091 -11.7091 -9.6158 -9.6158 -8.6815 -8.6815 6.5404 6.5404 13.9153 13.9153 16.1808 16.1808 16.6635 16.6635 20.3435 20.3435 22.7425 22.7425 24.3230 24.3230 26.0109 26.0109 26.8641 26.8641 k = 0.2222 0.1283 0.5519 ( 730 PWs) bands (ev): -33.4319 -33.4319 -11.7064 -11.7064 -9.6292 -9.6292 -8.6963 -8.6963 6.5012 6.5012 13.9549 13.9549 16.1324 16.1324 16.6291 16.6291 20.3406 20.3406 22.8429 22.8429 24.3603 24.3603 26.1141 26.1141 26.9333 26.9333 k = 0.2302 0.1329 0.5519 ( 734 PWs) bands (ev): -33.4278 -33.4278 -11.7038 -11.7038 -9.6428 -9.6428 -8.7110 -8.7110 6.4618 6.4618 13.9928 13.9928 16.0845 16.0845 16.5939 16.5939 20.3435 20.3435 22.9459 22.9459 24.4009 24.4009 26.2178 26.2178 27.0001 27.0001 k = 0.2381 0.1375 0.5519 ( 734 PWs) bands (ev): -33.4234 -33.4234 -11.7014 -11.7014 -9.6565 -9.6565 -8.7254 -8.7254 6.4224 6.4224 14.0288 14.0288 16.0370 16.0370 16.5579 16.5579 20.3524 20.3524 23.0513 23.0513 24.4447 24.4447 26.3217 26.3217 27.0644 27.0644 k = 0.2460 0.1420 0.5519 ( 734 PWs) bands (ev): -33.4190 -33.4190 -11.6991 -11.6991 -9.6702 -9.6702 -8.7395 -8.7395 6.3830 6.3830 14.0627 14.0627 15.9901 15.9901 16.5214 16.5214 20.3674 20.3674 23.1590 23.1590 24.4917 24.4917 26.4256 26.4256 27.1261 27.1261 k = 0.2540 0.1466 0.5519 ( 734 PWs) bands (ev): -33.4147 -33.4147 -11.6969 -11.6969 -9.6839 -9.6839 -8.7534 -8.7534 6.3436 6.3436 14.0944 14.0944 15.9439 15.9439 16.4844 16.4844 20.3884 20.3884 23.2689 23.2689 24.5415 24.5415 26.5292 26.5292 27.1850 27.1850 k = 0.2619 0.1512 0.5519 ( 732 PWs) bands (ev): -33.4102 -33.4102 -11.6950 -11.6950 -9.6975 -9.6975 -8.7669 -8.7669 6.3045 6.3045 14.1238 14.1238 15.8984 15.8984 16.4471 16.4471 20.4155 20.4155 23.3807 23.3807 24.5942 24.5942 26.6324 26.6324 27.2413 27.2413 k = 0.2698 0.1558 0.5519 ( 732 PWs) bands (ev): -33.4058 -33.4058 -11.6932 -11.6932 -9.7111 -9.7111 -8.7802 -8.7802 6.2656 6.2656 14.1508 14.1508 15.8538 15.8538 16.4096 16.4096 20.4486 20.4486 23.4943 23.4943 24.6493 24.6493 26.7347 26.7347 27.2947 27.2947 k = 0.2778 0.1604 0.5519 ( 732 PWs) bands (ev): -33.4015 -33.4015 -11.6916 -11.6916 -9.7246 -9.7246 -8.7930 -8.7930 6.2271 6.2271 14.1754 14.1754 15.8101 15.8101 16.3720 16.3720 20.4874 20.4874 23.6095 23.6095 24.7068 24.7068 26.8361 26.8361 27.3453 27.3453 k = 0.2857 0.1650 0.5519 ( 736 PWs) bands (ev): -33.3974 -33.3974 -11.6903 -11.6903 -9.7379 -9.7379 -8.8056 -8.8056 6.1891 6.1891 14.1976 14.1976 15.7674 15.7674 16.3345 16.3345 20.5319 20.5319 23.7259 23.7259 24.7663 24.7663 26.9362 26.9362 27.3931 27.3931 k = 0.2937 0.1695 0.5519 ( 738 PWs) bands (ev): -33.3932 -33.3932 -11.6891 -11.6891 -9.7509 -9.7509 -8.8176 -8.8176 6.1516 6.1516 14.2174 14.2174 15.7258 15.7258 16.2972 16.2972 20.5818 20.5818 23.8436 23.8436 24.8277 24.8277 27.0348 27.0348 27.4380 27.4380 k = 0.3016 0.1741 0.5519 ( 738 PWs) bands (ev): -33.3890 -33.3890 -11.6882 -11.6882 -9.7638 -9.7638 -8.8293 -8.8293 6.1148 6.1148 14.2349 14.2349 15.6853 15.6853 16.2602 16.2602 20.6368 20.6368 23.9622 23.9622 24.8907 24.8907 27.1315 27.1315 27.4802 27.4802 k = 0.3095 0.1787 0.5519 ( 742 PWs) bands (ev): -33.3850 -33.3850 -11.6874 -11.6874 -9.7763 -9.7763 -8.8406 -8.8406 6.0787 6.0787 14.2501 14.2501 15.6460 15.6460 16.2236 16.2236 20.6966 20.6966 24.0813 24.0813 24.9550 24.9550 27.2259 27.2259 27.5199 27.5199 k = 0.3175 0.1833 0.5519 ( 746 PWs) bands (ev): -33.3811 -33.3811 -11.6869 -11.6869 -9.7885 -9.7885 -8.8514 -8.8514 6.0434 6.0434 14.2631 14.2631 15.6079 15.6079 16.1877 16.1877 20.7608 20.7608 24.2008 24.2008 25.0204 25.0204 27.3174 27.3174 27.5573 27.5573 k = 0.3254 0.1879 0.5519 ( 746 PWs) bands (ev): -33.3771 -33.3771 -11.6865 -11.6865 -9.8004 -9.8004 -8.8618 -8.8618 6.0090 6.0090 14.2740 14.2740 15.5711 15.5711 16.1524 16.1524 20.8290 20.8290 24.3204 24.3204 25.0865 25.0865 27.4049 27.4049 27.5935 27.5935 k = 0.3333 0.1925 0.5519 ( 746 PWs) bands (ev): -33.3732 -33.3732 -11.6863 -11.6863 -9.8118 -9.8118 -8.8717 -8.8717 5.9755 5.9755 14.2831 14.2831 15.5357 15.5357 16.1179 16.1179 20.9008 20.9008 24.4396 24.4396 25.1531 25.1531 27.4862 27.4862 27.6304 27.6304 k = 0.3413 0.1970 0.5519 ( 746 PWs) bands (ev): -33.3695 -33.3695 -11.6863 -11.6863 -9.8229 -9.8229 -8.8811 -8.8811 5.9431 5.9431 14.2903 14.2903 15.5016 15.5016 16.0843 16.0843 20.9757 20.9757 24.5582 24.5582 25.2199 25.2199 27.5563 27.5563 27.6727 27.6727 k = 0.3492 0.2016 0.5519 ( 742 PWs) bands (ev): -33.3656 -33.3656 -11.6864 -11.6864 -9.8335 -9.8335 -8.8901 -8.8901 5.9118 5.9118 14.2959 14.2959 15.4690 15.4690 16.0518 16.0518 21.0530 21.0530 24.6759 24.6759 25.2866 25.2866 27.6086 27.6086 27.7270 27.7270 k = 0.3571 0.2062 0.5519 ( 746 PWs) bands (ev): -33.3623 -33.3623 -11.6867 -11.6867 -9.8437 -9.8437 -8.8986 -8.8986 5.8817 5.8817 14.3000 14.3000 15.4378 15.4378 16.0203 16.0203 21.1324 21.1324 24.7919 24.7919 25.3527 25.3527 27.6435 27.6435 27.7926 27.7926 k = 0.3651 0.2108 0.5519 ( 746 PWs) bands (ev): -33.3589 -33.3589 -11.6871 -11.6871 -9.8533 -9.8533 -8.9067 -8.9067 5.8528 5.8528 14.3028 14.3028 15.4081 15.4081 15.9900 15.9900 21.2131 21.2131 24.9062 24.9062 25.4181 25.4181 27.6676 27.6676 27.8630 27.8630 k = 0.3730 0.2154 0.5519 ( 746 PWs) bands (ev): -33.3556 -33.3556 -11.6877 -11.6877 -9.8625 -9.8625 -8.9143 -8.9143 5.8252 5.8252 14.3044 14.3044 15.3799 15.3799 15.9611 15.9611 21.2945 21.2945 25.0181 25.0181 25.4823 25.4823 27.6853 27.6853 27.9335 27.9335 k = 0.3810 0.2199 0.5519 ( 742 PWs) bands (ev): -33.3523 -33.3523 -11.6883 -11.6883 -9.8711 -9.8711 -8.9214 -8.9214 5.7990 5.7990 14.3051 14.3051 15.3533 15.3533 15.9335 15.9335 21.3761 21.3761 25.1272 25.1272 25.5452 25.5452 27.6986 27.6986 28.0023 28.0023 k = 0.3889 0.2245 0.5519 ( 742 PWs) bands (ev): -33.3494 -33.3494 -11.6890 -11.6890 -9.8793 -9.8793 -8.9280 -8.9280 5.7742 5.7742 14.3049 14.3049 15.3283 15.3283 15.9073 15.9073 21.4571 21.4571 25.2329 25.2329 25.6062 25.6062 27.7083 27.7083 28.0682 28.0682 k = 0.3968 0.2291 0.5519 ( 742 PWs) bands (ev): -33.3466 -33.3466 -11.6898 -11.6898 -9.8869 -9.8869 -8.9342 -8.9342 5.7508 5.7508 14.3041 14.3041 15.3049 15.3049 15.8826 15.8826 21.5368 21.5368 25.3347 25.3347 25.6652 25.6652 27.7152 27.7152 28.1307 28.1307 k = 0.4048 0.2337 0.5519 ( 742 PWs) bands (ev): -33.3440 -33.3440 -11.6906 -11.6906 -9.8939 -9.8939 -8.9399 -8.9399 5.7290 5.7290 14.3027 14.3027 15.2832 15.2832 15.8595 15.8595 21.6146 21.6146 25.4320 25.4320 25.7217 25.7217 27.7195 27.7195 28.1896 28.1896 k = 0.4127 0.2383 0.5519 ( 742 PWs) bands (ev): -33.3416 -33.3416 -11.6914 -11.6914 -9.9004 -9.9004 -8.9451 -8.9451 5.7088 5.7088 14.3009 14.3009 15.2631 15.2631 15.8381 15.8381 21.6897 21.6897 25.5242 25.5242 25.7755 25.7755 27.7216 27.7216 28.2445 28.2445 k = 0.4206 0.2429 0.5519 ( 742 PWs) bands (ev): -33.3394 -33.3394 -11.6923 -11.6923 -9.9063 -9.9063 -8.9499 -8.9499 5.6901 5.6901 14.2988 14.2988 15.2447 15.2447 15.8183 15.8183 21.7614 21.7614 25.6106 25.6106 25.8264 25.8264 27.7219 27.7219 28.2952 28.2952 k = 0.4286 0.2474 0.5519 ( 738 PWs) bands (ev): -33.3372 -33.3372 -11.6931 -11.6931 -9.9117 -9.9117 -8.9542 -8.9542 5.6731 5.6731 14.2966 14.2966 15.2280 15.2280 15.8003 15.8003 21.8290 21.8290 25.6906 25.6906 25.8741 25.8741 27.7207 27.7207 28.3416 28.3416 k = 0.4365 0.2520 0.5519 ( 734 PWs) bands (ev): -33.3352 -33.3352 -11.6939 -11.6939 -9.9165 -9.9165 -8.9581 -8.9581 5.6579 5.6579 14.2943 14.2943 15.2130 15.2130 15.7840 15.7840 21.8918 21.8918 25.7634 25.7634 25.9185 25.9185 27.7184 27.7184 28.3835 28.3835 k = 0.4444 0.2566 0.5519 ( 734 PWs) bands (ev): -33.3335 -33.3335 -11.6946 -11.6946 -9.9207 -9.9207 -8.9615 -8.9615 5.6443 5.6443 14.2921 14.2921 15.1998 15.1998 15.7696 15.7696 21.9491 21.9491 25.8283 25.8283 25.9593 25.9593 27.7153 27.7153 28.4208 28.4208 k = 0.4524 0.2612 0.5519 ( 734 PWs) bands (ev): -33.3321 -33.3321 -11.6953 -11.6953 -9.9244 -9.9244 -8.9644 -8.9644 5.6325 5.6325 14.2900 14.2900 15.1883 15.1883 15.7570 15.7570 22.0002 22.0002 25.8845 25.8845 25.9965 25.9965 27.7117 27.7117 28.4533 28.4533 k = 0.4603 0.2658 0.5519 ( 734 PWs) bands (ev): -33.3309 -33.3309 -11.6959 -11.6959 -9.9275 -9.9275 -8.9669 -8.9669 5.6224 5.6224 14.2880 14.2880 15.1785 15.1785 15.7463 15.7463 22.0446 22.0446 25.9316 25.9316 26.0299 26.0299 27.7080 27.7080 28.4810 28.4810 k = 0.4683 0.2703 0.5519 ( 734 PWs) bands (ev): -33.3299 -33.3299 -11.6964 -11.6964 -9.9301 -9.9301 -8.9689 -8.9689 5.6142 5.6142 14.2864 14.2864 15.1705 15.1705 15.7375 15.7375 22.0817 22.0817 25.9693 25.9693 26.0590 26.0590 27.7045 27.7045 28.5037 28.5037 k = 0.4762 0.2749 0.5519 ( 732 PWs) bands (ev): -33.3291 -33.3291 -11.6968 -11.6968 -9.9320 -9.9320 -8.9705 -8.9705 5.6077 5.6077 14.2850 14.2850 15.1643 15.1643 15.7307 15.7307 22.1111 22.1111 25.9978 25.9978 26.0832 26.0832 27.7015 27.7015 28.5215 28.5215 k = 0.4841 0.2795 0.5519 ( 732 PWs) bands (ev): -33.3285 -33.3285 -11.6971 -11.6971 -9.9334 -9.9334 -8.9716 -8.9716 5.6031 5.6031 14.2841 14.2841 15.1598 15.1598 15.7258 15.7258 22.1324 22.1324 26.0175 26.0175 26.1014 26.1014 27.6992 27.6992 28.5342 28.5342 k = 0.4921 0.2841 0.5519 ( 728 PWs) bands (ev): -33.3280 -33.3280 -11.6973 -11.6973 -9.9343 -9.9343 -8.9722 -8.9722 5.6004 5.6004 14.2835 14.2835 15.1571 15.1571 15.7229 15.7229 22.1453 22.1453 26.0291 26.0291 26.1128 26.1128 27.6977 27.6977 28.5419 28.5419 k = 0.5000 0.2887 0.5519 ( 732 PWs) bands (ev): -33.3281 -33.3281 -11.6973 -11.6973 -9.9346 -9.9346 -8.9725 -8.9725 5.5995 5.5995 14.2833 14.2833 15.1563 15.1563 15.7219 15.7219 22.1496 22.1496 26.0329 26.0329 26.1166 26.1166 27.6971 27.6971 28.5444 28.5444 k = 0.5000 0.2887 0.5519 ( 732 PWs) bands (ev): -33.3281 -33.3281 -11.6973 -11.6973 -9.9346 -9.9346 -8.9725 -8.9725 5.5995 5.5995 14.2833 14.2833 15.1563 15.1563 15.7219 15.7219 22.1496 22.1496 26.0329 26.0329 26.1166 26.1166 27.6971 27.6971 28.5444 28.5444 k = 0.4954 0.2967 0.5519 ( 732 PWs) bands (ev): -33.3280 -33.3280 -11.6983 -11.6963 -9.9352 -9.9336 -8.9753 -8.9707 5.5994 5.5996 14.2817 14.2877 15.1284 15.1313 15.7478 15.7502 22.1451 22.1487 26.0310 26.0373 26.1145 26.1217 27.6959 27.6961 28.5453 28.5483 k = 0.4907 0.3047 0.5519 ( 736 PWs) bands (ev): -33.3281 -33.3281 -11.6991 -11.6952 -9.9353 -9.9322 -8.9793 -8.9700 5.5996 5.5998 14.2831 14.2950 15.0597 15.0645 15.8172 15.8210 22.1353 22.1425 26.0303 26.0423 26.1165 26.1312 27.6922 27.6927 28.5509 28.5569 k = 0.4861 0.3127 0.5519 ( 736 PWs) bands (ev): -33.3279 -33.3279 -11.6999 -11.6939 -9.9351 -9.9304 -8.9843 -8.9703 5.5998 5.6001 14.2873 14.3051 14.9684 14.9744 15.9114 15.9158 22.1204 22.1311 26.0274 26.0445 26.1264 26.1489 27.6861 27.6871 28.5611 28.5700 k = 0.4815 0.3208 0.5519 ( 728 PWs) bands (ev): -33.3273 -33.3273 -11.7005 -11.6926 -9.9344 -9.9281 -8.9903 -8.9717 5.6001 5.6006 14.2942 14.3180 14.8664 14.8730 16.0184 16.0230 22.1010 22.1148 26.0194 26.0412 26.1468 26.1770 27.6779 27.6794 28.5757 28.5875 k = 0.4769 0.3288 0.5519 ( 724 PWs) bands (ev): -33.3268 -33.3268 -11.7011 -11.6912 -9.9334 -9.9255 -8.9973 -8.9741 5.6006 5.6012 14.3039 14.3335 14.7593 14.7665 16.1320 16.1365 22.0773 22.0939 26.0057 26.0323 26.1782 26.2153 27.6671 27.6696 28.5945 28.6092 k = 0.4722 0.3368 0.5519 ( 724 PWs) bands (ev): -33.3264 -33.3264 -11.7016 -11.6897 -9.9320 -9.9224 -9.0054 -8.9775 5.6011 5.6018 14.3159 14.3513 14.6504 14.6580 16.2491 16.2535 22.0498 22.0689 25.9875 26.0189 26.2191 26.2625 27.6540 27.6577 28.6172 28.6346 k = 0.4676 0.3448 0.5519 ( 728 PWs) bands (ev): -33.3261 -33.3261 -11.7020 -11.6882 -9.9302 -9.9190 -9.0144 -8.9818 5.6017 5.6025 14.3299 14.3709 14.5417 14.5499 16.3679 16.3721 22.0191 22.0404 25.9659 26.0018 26.2684 26.3173 27.6388 27.6441 28.6435 28.6635 k = 0.4630 0.3528 0.5519 ( 728 PWs) bands (ev): -33.3256 -33.3256 -11.7023 -11.6866 -9.9281 -9.9151 -9.0244 -8.9871 5.6023 5.6033 14.3434 14.3864 14.4365 14.4488 16.4872 16.4912 21.9859 22.0088 25.9418 25.9820 26.3249 26.3786 27.6214 27.6289 28.6729 28.6954 k = 0.4583 0.3608 0.5519 ( 732 PWs) bands (ev): -33.3252 -33.3252 -11.7026 -11.6850 -9.9256 -9.9108 -9.0352 -8.9932 5.6030 5.6041 14.3120 14.3246 14.3797 14.4285 16.6063 16.6100 21.9506 21.9748 25.9158 25.9601 26.3875 26.4451 27.6022 27.6122 28.7051 28.7300 k = 0.4537 0.3689 0.5519 ( 732 PWs) bands (ev): -33.3245 -33.3245 -11.7028 -11.6833 -9.9228 -9.9062 -9.0468 -9.0002 5.6038 5.6050 14.2129 14.2221 14.3945 14.4526 16.7245 16.7279 21.9139 21.9391 25.8885 25.9365 26.4555 26.5160 27.5812 27.5946 28.7398 28.7670 k = 0.4491 0.3769 0.5519 ( 732 PWs) bands (ev): -33.3238 -33.3238 -11.7029 -11.6815 -9.9197 -9.9012 -9.0593 -9.0078 5.6045 5.6058 14.1104 14.1195 14.4167 14.4810 16.8413 16.8444 21.8765 21.9022 25.8603 25.9119 26.5279 26.5901 27.5588 27.5765 28.7766 28.8058 k = 0.4444 0.3849 0.5519 ( 732 PWs) bands (ev): -33.3230 -33.3230 -11.7029 -11.6798 -9.9163 -9.8959 -9.0724 -9.0162 5.6053 5.6067 14.0097 14.0188 14.4412 14.5113 16.9563 16.9591 21.8388 21.8647 25.8317 25.8867 26.6036 26.6660 27.5355 27.5586 28.8150 28.8461 k = 0.4398 0.3929 0.5519 ( 732 PWs) bands (ev): -33.3223 -33.3222 -11.7029 -11.6780 -9.9127 -9.8902 -9.0861 -9.0253 5.6061 5.6076 13.9115 13.9207 14.4675 14.5432 17.0690 17.0715 21.8013 21.8272 25.8031 25.8613 26.6814 26.7420 27.5119 27.5420 28.8548 28.8876 k = 0.4352 0.4009 0.5519 ( 732 PWs) bands (ev): -33.3214 -33.3214 -11.7029 -11.6762 -9.9089 -9.8842 -9.1005 -9.0348 5.6068 5.6084 13.8162 13.8255 14.4949 14.5763 17.1791 17.1813 21.7647 21.7902 25.7749 25.8361 26.7599 26.8162 27.4888 27.5282 28.8955 28.9299 k = 0.4306 0.4090 0.5519 ( 736 PWs) bands (ev): -33.3207 -33.3207 -11.7028 -11.6744 -9.9048 -9.8779 -9.1153 -9.0449 5.6074 5.6091 13.7241 13.7335 14.5234 14.6102 17.2862 17.2880 21.7292 21.7542 25.7474 25.8114 26.8370 26.8857 27.4678 27.5196 28.9367 28.9726 k = 0.4259 0.4170 0.5519 ( 736 PWs) bands (ev): -33.3198 -33.3198 -11.7026 -11.6726 -9.9006 -9.8714 -9.1305 -9.0554 5.6080 5.6098 13.6352 13.6448 14.5525 14.6446 17.3900 17.3915 21.6954 21.7196 25.7210 25.7876 26.9100 26.9467 27.4514 27.5196 28.9783 29.0155 k = 0.4213 0.4250 0.5519 ( 736 PWs) bands (ev): -33.3189 -33.3189 -11.7025 -11.6708 -9.8962 -9.8646 -9.1461 -9.0661 5.6085 5.6104 13.5499 13.5596 14.5820 14.6793 17.4901 17.4913 21.6636 21.6868 25.6959 25.7651 26.9743 26.9949 27.4435 27.5320 29.0199 29.0583 k = 0.4167 0.4330 0.5519 ( 740 PWs) bands (ev): -33.3181 -33.3181 -11.7023 -11.6690 -9.8917 -9.8576 -9.1619 -9.0771 5.6089 5.6109 13.4682 13.4780 14.6116 14.7140 17.5862 17.5871 21.6340 21.6561 25.6724 25.7439 27.0241 27.0267 27.4497 27.5602 29.0612 29.1006 k = 0.4120 0.4410 0.5519 ( 740 PWs) bands (ev): -33.3172 -33.3172 -11.7021 -11.6673 -9.8871 -9.8504 -9.1779 -9.0883 5.6092 5.6113 13.3904 13.4003 14.6410 14.7484 17.6781 17.6786 21.6070 21.6280 25.6507 25.7244 27.0411 27.0538 27.4753 27.6047 29.1019 29.1422 k = 0.4074 0.4491 0.5519 ( 744 PWs) bands (ev): -33.3164 -33.3164 -11.7019 -11.6657 -9.8826 -9.8431 -9.1939 -9.0995 5.6093 5.6115 13.3164 13.3265 14.6701 14.7822 17.7654 17.7656 21.5828 21.6025 25.6310 25.7068 27.0402 27.0623 27.5208 27.6630 29.1417 29.1829 k = 0.4028 0.4571 0.5519 ( 744 PWs) bands (ev): -33.3155 -33.3155 -11.7017 -11.6641 -9.8780 -9.8357 -9.2098 -9.1106 5.6093 5.6116 13.2466 13.2567 14.6984 14.8151 17.8479 17.8479 21.5615 21.5799 25.6133 25.6912 27.0280 27.0539 27.5817 27.7311 29.1805 29.2224 k = 0.3981 0.4651 0.5519 ( 740 PWs) bands (ev): -33.3144 -33.3144 -11.7014 -11.6625 -9.8734 -9.8283 -9.2256 -9.1216 5.6092 5.6116 13.1809 13.1912 14.7259 14.8469 17.9251 17.9254 21.5432 21.5604 25.5979 25.6776 27.0079 27.0345 27.6521 27.8052 29.2180 29.2606 k = 0.3935 0.4731 0.5519 ( 740 PWs) bands (ev): -33.3134 -33.3134 -11.7012 -11.6611 -9.8689 -9.8209 -9.2411 -9.1323 5.6090 5.6114 13.1195 13.1298 14.7522 14.8773 17.9972 17.9977 21.5280 21.5440 25.5846 25.6662 26.9826 27.0084 27.7270 27.8821 29.2540 29.2971 k = 0.3889 0.4811 0.5519 ( 740 PWs) bands (ev): -33.3125 -33.3125 -11.7010 -11.6597 -9.8646 -9.8135 -9.2562 -9.1427 5.6086 5.6111 13.0624 13.0728 14.7771 14.9061 18.0639 18.0646 21.5157 21.5306 25.5736 25.6568 26.9542 26.9785 27.8035 27.9597 29.2882 29.3318 k = 0.3843 0.4891 0.5519 ( 740 PWs) bands (ev): -33.3117 -33.3117 -11.7009 -11.6584 -9.8605 -9.8064 -9.2707 -9.1527 5.6080 5.6106 13.0097 13.0202 14.8005 14.9330 18.1251 18.1260 21.5065 21.5202 25.5647 25.6495 26.9240 26.9468 27.8794 28.0364 29.3206 29.3646 k = 0.3796 0.4972 0.5519 ( 740 PWs) bands (ev): -33.3108 -33.3108 -11.7007 -11.6572 -9.8566 -9.7994 -9.2846 -9.1622 5.6074 5.6101 12.9615 12.9721 14.8221 14.9579 18.1807 18.1818 21.4999 21.5127 25.5578 25.6441 26.8933 26.9145 27.9531 28.1107 29.3508 29.3952 k = 0.3750 0.5052 0.5519 ( 740 PWs) bands (ev): -33.3101 -33.3101 -11.7006 -11.6562 -9.8529 -9.7928 -9.2978 -9.1710 5.6067 5.6094 12.9178 12.9284 14.8419 14.9807 18.2307 18.2319 21.4960 21.5078 25.5529 25.6406 26.8628 26.8825 28.0234 28.1816 29.3788 29.4235 k = 0.3704 0.5132 0.5519 ( 736 PWs) bands (ev): -33.3091 -33.3091 -11.7004 -11.6552 -9.8495 -9.7865 -9.3100 -9.1791 5.6058 5.6086 12.8787 12.8894 14.8597 15.0012 18.2750 18.2764 21.4943 21.5054 25.5497 25.6387 26.8333 26.8517 28.0895 28.2481 29.4044 29.4494 k = 0.3657 0.5212 0.5519 ( 740 PWs) bands (ev): -33.3087 -33.3087 -11.7003 -11.6544 -9.8465 -9.7807 -9.3212 -9.1866 5.6049 5.6078 12.8441 12.8549 14.8754 15.0192 18.3136 18.3151 21.4946 21.5049 25.5480 25.6382 26.8054 26.8227 28.1501 28.3093 29.4274 29.4726 k = 0.3611 0.5292 0.5519 ( 744 PWs) bands (ev): -33.3082 -33.3082 -11.7003 -11.6536 -9.8439 -9.7755 -9.3312 -9.1931 5.6040 5.6069 12.8142 12.8251 14.8890 15.0348 18.3467 18.3483 21.4963 21.5061 25.5475 25.6387 26.7798 26.7961 28.2049 28.3644 29.4477 29.4930 k = 0.3565 0.5373 0.5519 ( 746 PWs) bands (ev): -33.3078 -33.3078 -11.7002 -11.6530 -9.8416 -9.7710 -9.3399 -9.1987 5.6031 5.6060 12.7890 12.7998 14.9004 15.0480 18.3742 18.3759 21.4992 21.5086 25.5480 25.6401 26.7569 26.7724 28.2528 28.4128 29.4652 29.5106 k = 0.3519 0.5453 0.5519 ( 746 PWs) bands (ev): -33.3073 -33.3073 -11.7002 -11.6525 -9.8397 -9.7672 -9.3472 -9.2034 5.6023 5.6052 12.7684 12.7793 14.9096 15.0586 18.3964 18.3981 21.5028 21.5118 25.5492 25.6421 26.7373 26.7522 28.2933 28.4537 29.4797 29.5253 k = 0.3472 0.5533 0.5519 ( 746 PWs) bands (ev): -33.3070 -33.3070 -11.7002 -11.6522 -9.8383 -9.7642 -9.3529 -9.2071 5.6016 5.6045 12.7524 12.7633 14.9167 15.0667 18.4133 18.4151 21.5064 21.5152 25.5507 25.6442 26.7215 26.7358 28.3257 28.4864 29.4912 29.5368 k = 0.3426 0.5613 0.5519 ( 746 PWs) bands (ev): -33.3067 -33.3067 -11.7002 -11.6519 -9.8373 -9.7620 -9.3570 -9.2097 5.6010 5.6039 12.7410 12.7519 14.9217 15.0725 18.4251 18.4270 21.5097 21.5183 25.5522 25.6462 26.7097 26.7237 28.3495 28.5104 29.4995 29.5452 k = 0.3380 0.5693 0.5519 ( 746 PWs) bands (ev): -33.3066 -33.3066 -11.7002 -11.6518 -9.8367 -9.7607 -9.3595 -9.2113 5.6006 5.6035 12.7342 12.7451 14.9246 15.0758 18.4320 18.4339 21.5120 21.5206 25.5534 25.6476 26.7024 26.7163 28.3641 28.5252 29.5046 29.5503 k = 0.3333 0.5774 0.5519 ( 750 PWs) bands (ev): -33.3067 -33.3067 -11.7002 -11.6517 -9.8365 -9.7603 -9.3603 -9.2118 5.6004 5.6034 12.7319 12.7429 14.9256 15.0769 18.4343 18.4362 21.5129 21.5215 25.5538 25.6481 26.6999 26.7137 28.3690 28.5301 29.5062 29.5520 k = 0.3333 0.5774 0.5519 ( 750 PWs) bands (ev): -33.3067 -33.3067 -11.7002 -11.6517 -9.8365 -9.7603 -9.3603 -9.2118 5.6004 5.6034 12.7319 12.7429 14.9256 15.0769 18.4343 18.4362 21.5129 21.5215 25.5538 25.6481 26.6999 26.7137 28.3690 28.5301 29.5062 29.5520 k = 0.3287 0.5693 0.5519 ( 746 PWs) bands (ev): -33.3066 -33.3066 -11.7002 -11.6518 -9.8367 -9.7607 -9.3595 -9.2113 5.6006 5.6036 12.7342 12.7451 14.9247 15.0759 18.4321 18.4340 21.5118 21.5204 25.5533 25.6475 26.7025 26.7163 28.3640 28.5250 29.5045 29.5503 k = 0.3241 0.5613 0.5519 ( 746 PWs) bands (ev): -33.3067 -33.3067 -11.7002 -11.6519 -9.8372 -9.7619 -9.3571 -9.2097 5.6011 5.6041 12.7408 12.7518 14.9220 15.0728 18.4257 18.4276 21.5084 21.5170 25.5514 25.6453 26.7102 26.7242 28.3487 28.5096 29.4993 29.5450 k = 0.3194 0.5533 0.5519 ( 746 PWs) bands (ev): -33.3070 -33.3070 -11.7001 -11.6521 -9.8381 -9.7637 -9.3532 -9.2072 5.6021 5.6051 12.7519 12.7629 14.9176 15.0677 18.4154 18.4172 21.5022 21.5109 25.5478 25.6413 26.7230 26.7373 28.3231 28.4836 29.4904 29.5361 k = 0.3148 0.5453 0.5519 ( 750 PWs) bands (ev): -33.3077 -33.3077 -11.7001 -11.6524 -9.8391 -9.7661 -9.3478 -9.2036 5.6036 5.6065 12.7673 12.7782 14.9117 15.0609 18.4014 18.4032 21.4928 21.5015 25.5424 25.6352 26.7410 26.7557 28.2870 28.4470 29.4779 29.5236 k = 0.3102 0.5373 0.5519 ( 750 PWs) bands (ev): -33.3082 -33.3082 -11.7000 -11.6528 -9.8404 -9.7690 -9.3411 -9.1991 5.6057 5.6086 12.7870 12.7979 14.9044 15.0524 18.3839 18.3857 21.4801 21.4888 25.5348 25.6269 26.7639 26.7791 28.2406 28.3998 29.4617 29.5073 k = 0.3056 0.5292 0.5519 ( 746 PWs) bands (ev): -33.3087 -33.3087 -11.6999 -11.6532 -9.8418 -9.7722 -9.3332 -9.1937 5.6084 5.6112 12.8108 12.8217 14.8957 15.0425 18.3633 18.3650 21.4638 21.4725 25.5250 25.6161 26.7916 26.8074 28.1840 28.3423 29.4417 29.4873 k = 0.3009 0.5212 0.5519 ( 746 PWs) bands (ev): -33.3096 -33.3096 -11.6998 -11.6537 -9.8433 -9.7756 -9.3241 -9.1874 5.6118 5.6146 12.8387 12.8495 14.8859 15.0311 18.3397 18.3414 21.4437 21.4524 25.5127 25.6027 26.8237 26.8401 28.1174 28.2745 29.4179 29.4634 k = 0.2963 0.5132 0.5519 ( 746 PWs) bands (ev): -33.3106 -33.3106 -11.6996 -11.6542 -9.8448 -9.7791 -9.3141 -9.1804 5.6159 5.6187 12.8707 12.8814 14.8750 15.0185 18.3135 18.3151 21.4199 21.4286 25.4978 25.5866 26.8597 26.8768 28.0412 28.1968 29.3901 29.4356 k = 0.2917 0.5052 0.5519 ( 750 PWs) bands (ev): -33.3119 -33.3119 -11.6993 -11.6548 -9.8463 -9.7826 -9.3032 -9.1726 5.6209 5.6237 12.9065 12.9172 14.8632 15.0047 18.2849 18.2864 21.3923 21.4009 25.4801 25.5678 26.8991 26.9169 27.9557 28.1096 29.3585 29.4039 k = 0.2870 0.4972 0.5519 ( 750 PWs) bands (ev): -33.3132 -33.3132 -11.6990 -11.6554 -9.8477 -9.7861 -9.2915 -9.1641 5.6268 5.6295 12.9461 12.9567 14.8505 14.9899 18.2541 18.2555 21.3611 21.3696 25.4599 25.5462 26.9413 26.9598 27.8614 28.0133 29.3229 29.3683 k = 0.2824 0.4891 0.5519 ( 748 PWs) bands (ev): -33.3145 -33.3145 -11.6987 -11.6560 -9.8490 -9.7893 -9.2791 -9.1550 5.6337 5.6363 12.9895 13.0000 14.8370 14.9742 18.2213 18.2227 21.3265 21.3348 25.4369 25.5219 26.9858 27.0048 27.7590 27.9085 29.2834 29.3288 k = 0.2778 0.4811 0.5519 ( 748 PWs) bands (ev): -33.3161 -33.3161 -11.6983 -11.6566 -9.8501 -9.7923 -9.2661 -9.1453 5.6415 5.6441 13.0364 13.0469 14.8228 14.9577 18.1868 18.1882 21.2885 21.2968 25.4113 25.4949 27.0317 27.0509 27.6491 27.7957 29.2399 29.2852 k = 0.2731 0.4731 0.5519 ( 748 PWs) bands (ev): -33.3179 -33.3179 -11.6978 -11.6573 -9.8509 -9.7950 -9.2525 -9.1350 5.6504 5.6530 13.0869 13.0972 14.8081 14.9404 18.1509 18.1522 21.2475 21.2556 25.3832 25.4654 27.0783 27.0971 27.5327 27.6756 29.1925 29.2377 k = 0.2685 0.4651 0.5519 ( 750 PWs) bands (ev): -33.3199 -33.3199 -11.6973 -11.6579 -9.8514 -9.7973 -9.2384 -9.1242 5.6605 5.6629 13.1407 13.1510 14.7927 14.9225 18.1136 18.1149 21.2038 21.2118 25.3526 25.4333 27.1248 27.1409 27.4120 27.5487 29.1411 29.1862 k = 0.2639 0.4571 0.5519 ( 750 PWs) bands (ev): -33.3219 -33.3219 -11.6968 -11.6586 -9.8516 -9.7992 -9.2238 -9.1130 5.6716 5.6740 13.1978 13.2080 14.7769 14.9040 18.0753 18.0765 21.1577 21.1655 25.3196 25.3990 27.1701 27.1712 27.2981 27.4162 29.0858 29.1308 k = 0.2593 0.4491 0.5519 ( 750 PWs) bands (ev): -33.3241 -33.3241 -11.6962 -11.6592 -9.8514 -9.8006 -9.2089 -9.1013 5.6840 5.6863 13.2580 13.2681 14.7606 14.8849 18.0360 18.0372 21.1094 21.1171 25.2845 25.3625 27.1130 27.2081 27.2659 27.2842 29.0266 29.0715 k = 0.2546 0.4410 0.5519 ( 750 PWs) bands (ev): -33.3265 -33.3265 -11.6956 -11.6599 -9.8508 -9.8015 -9.1936 -9.0893 5.6976 5.6998 13.3213 13.3313 14.7439 14.8652 17.9960 17.9972 21.0594 21.0669 25.2474 25.3239 26.9833 27.1250 27.2663 27.2983 28.9635 29.0083 k = 0.2500 0.4330 0.5519 ( 750 PWs) bands (ev): -33.3290 -33.3290 -11.6949 -11.6606 -9.8498 -9.8019 -9.1780 -9.0769 5.7124 5.7146 13.3876 13.3974 14.7268 14.8451 17.9555 17.9567 21.0079 21.0154 25.2084 25.2836 26.8407 26.9790 27.3046 27.3367 28.8967 28.9413 k = 0.2454 0.4250 0.5519 ( 750 PWs) bands (ev): -33.3317 -33.3317 -11.6942 -11.6612 -9.8482 -9.8018 -9.1621 -9.0643 5.7285 5.7307 13.4566 13.4663 14.7092 14.8244 17.9146 17.9158 20.9554 20.9628 25.1679 25.2417 26.6924 26.8269 27.3419 27.3740 28.8262 28.8706 k = 0.2407 0.4170 0.5519 ( 754 PWs) bands (ev): -33.3347 -33.3347 -11.6936 -11.6619 -9.8462 -9.8010 -9.1460 -9.0513 5.7459 5.7480 13.5283 13.5379 14.6912 14.8032 17.8735 17.8747 20.9022 20.9096 25.1258 25.1983 26.5402 26.6711 27.3763 27.4083 28.7521 28.7963 k = 0.2361 0.4090 0.5519 ( 754 PWs) bands (ev): -33.3377 -33.3377 -11.6929 -11.6626 -9.8436 -9.7997 -9.1296 -9.0381 5.7647 5.7666 13.6025 13.6120 14.6728 14.7815 17.8323 17.8335 20.8487 20.8561 25.0826 25.1538 26.3850 26.5124 27.4070 27.4392 28.6745 28.7183 k = 0.2315 0.4009 0.5519 ( 748 PWs) bands (ev): -33.3405 -33.3405 -11.6922 -11.6634 -9.8404 -9.7977 -9.1130 -9.0246 5.7847 5.7866 13.6792 13.6885 14.6539 14.7592 17.7912 17.7924 20.7952 20.8027 25.0384 25.1083 26.2274 26.3513 27.4339 27.4662 28.5935 28.6370 k = 0.2269 0.3929 0.5519 ( 748 PWs) bands (ev): -33.3437 -33.3437 -11.6916 -11.6641 -9.8367 -9.7952 -9.0963 -9.0110 5.8060 5.8078 13.7582 13.7673 14.6344 14.7364 17.7502 17.7515 20.7420 20.7496 24.9933 25.0620 26.0679 26.1884 27.4563 27.4887 28.5092 28.5522 k = 0.2222 0.3849 0.5519 ( 748 PWs) bands (ev): -33.3471 -33.3471 -11.6910 -11.6649 -9.8324 -9.7920 -9.0794 -8.9971 5.8287 5.8304 13.8393 13.8482 14.6143 14.7128 17.7096 17.7110 20.6895 20.6973 24.9476 25.0150 25.9070 26.0242 27.4741 27.5067 28.4218 28.4643 k = 0.2176 0.3769 0.5519 ( 748 PWs) bands (ev): -33.3506 -33.3506 -11.6905 -11.6658 -9.8275 -9.7882 -9.0623 -8.9831 5.8526 5.8543 13.9224 13.9312 14.5937 14.6886 17.6695 17.6709 20.6380 20.6460 24.9016 24.9677 25.7453 25.8592 27.4873 27.5200 28.3314 28.3732 k = 0.2130 0.3689 0.5519 ( 748 PWs) bands (ev): -33.3542 -33.3542 -11.6900 -11.6667 -9.8220 -9.7837 -9.0451 -8.9689 5.8778 5.8794 14.0074 14.0160 14.5723 14.6637 17.6299 17.6314 20.5879 20.5962 24.8553 24.9202 25.5832 25.6938 27.4955 27.5284 28.2383 28.2792 k = 0.2083 0.3608 0.5519 ( 748 PWs) bands (ev): -33.3579 -33.3579 -11.6897 -11.6677 -9.8159 -9.7787 -9.0278 -8.9546 5.9043 5.9058 14.0942 14.1026 14.5501 14.6379 17.5910 17.5926 20.5395 20.5480 24.8090 24.8726 25.4211 25.5285 27.4988 27.5321 28.1426 28.1824 k = 0.2037 0.3528 0.5519 ( 748 PWs) bands (ev): -33.3618 -33.3618 -11.6894 -11.6688 -9.8092 -9.7730 -9.0104 -8.9401 5.9320 5.9334 14.1824 14.1907 14.5271 14.6112 17.5528 17.5545 20.4930 20.5019 24.7629 24.8251 25.2593 25.3637 27.4969 27.5309 28.0446 28.0830 k = 0.1991 0.3448 0.5519 ( 752 PWs) bands (ev): -33.3659 -33.3659 -11.6893 -11.6700 -9.8019 -9.7668 -8.9929 -8.9255 5.9608 5.9622 14.2720 14.2801 14.5033 14.5837 17.5155 17.5174 20.4487 20.4581 24.7172 24.7778 25.0983 25.1999 27.4897 27.5248 27.9448 27.9811 k = 0.1944 0.3368 0.5519 ( 748 PWs) bands (ev): -33.3698 -33.3698 -11.6893 -11.6713 -9.7940 -9.7599 -8.9753 -8.9108 5.9908 5.9921 14.3624 14.3706 14.4791 14.5554 17.4792 17.4812 20.4071 20.4169 24.6720 24.7307 24.9384 25.0376 27.4769 27.5139 27.8436 27.8771 k = 0.1898 0.3288 0.5519 ( 740 PWs) bands (ev): -33.3735 -33.3735 -11.6895 -11.6726 -9.7854 -9.7525 -8.9575 -8.8960 6.0219 6.0232 14.4392 14.4602 14.4685 14.5280 17.4439 17.4460 20.3683 20.3786 24.6276 24.6831 24.7801 24.8780 27.4577 27.4981 27.7423 27.7713 k = 0.1852 0.3208 0.5519 ( 740 PWs) bands (ev): -33.3777 -33.3777 -11.6898 -11.6741 -9.7763 -9.7445 -8.9398 -8.8811 6.0541 6.0552 14.4221 14.4893 14.5516 14.5609 17.4098 17.4120 20.3324 20.3433 24.5839 24.6233 24.6312 24.7254 27.4299 27.4769 27.6429 27.6643 k = 0.1806 0.3127 0.5519 ( 740 PWs) bands (ev): -33.3820 -33.3820 -11.6903 -11.6757 -9.7667 -9.7360 -8.9219 -8.8661 6.0872 6.0883 14.3942 14.4593 14.6450 14.6524 17.3768 17.3792 20.2999 20.3113 24.4686 24.5377 24.5414 24.6174 27.3889 27.4488 27.5505 27.5580 k = 0.1759 0.3047 0.5519 ( 740 PWs) bands (ev): -33.3863 -33.3863 -11.6909 -11.6775 -9.7566 -9.7270 -8.9040 -8.8510 6.1213 6.1223 14.3644 14.4261 14.7396 14.7466 17.3451 17.3477 20.2709 20.2829 24.3161 24.3924 24.5000 24.5647 27.3260 27.4026 27.4639 27.4743 k = 0.1713 0.2967 0.5519 ( 740 PWs) bands (ev): -33.3907 -33.3907 -11.6918 -11.6794 -9.7460 -9.7176 -8.8861 -8.8359 6.1562 6.1571 14.3332 14.3913 14.8349 14.8415 17.3148 17.3175 20.2456 20.2583 24.1661 24.2419 24.4600 24.5212 27.2390 27.3122 27.4085 27.4165 k = 0.1667 0.2887 0.5519 ( 744 PWs) bands (ev): -33.3953 -33.3953 -11.6928 -11.6814 -9.7349 -9.7077 -8.8681 -8.8207 6.1919 6.1928 14.3004 14.3550 14.9306 14.9368 17.2858 17.2887 20.2242 20.2375 24.0188 24.0926 24.4214 24.4806 27.1373 27.2025 27.3670 27.3682 k = 0.1620 0.2807 0.5519 ( 744 PWs) bands (ev): -33.3998 -33.3998 -11.6940 -11.6836 -9.7234 -9.6975 -8.8501 -8.8054 6.2283 6.2291 14.2662 14.3172 15.0265 15.0323 17.2583 17.2614 20.2069 20.2208 23.8745 23.9458 24.3845 24.4421 27.0288 27.0887 27.3220 27.3248 k = 0.1574 0.2726 0.5519 ( 740 PWs) bands (ev): -33.4041 -33.4041 -11.6954 -11.6859 -9.7115 -9.6868 -8.8321 -8.7901 6.2653 6.2660 14.2306 14.2781 15.1224 15.1278 17.2323 17.2356 20.1938 20.2083 23.7334 23.8021 24.3494 24.4057 26.9168 26.9733 27.2748 27.2798 k = 0.1528 0.2646 0.5519 ( 740 PWs) bands (ev): -33.4086 -33.4086 -11.6970 -11.6884 -9.6993 -9.6759 -8.8141 -8.7747 6.3028 6.3035 14.1934 14.2376 15.2180 15.2231 17.2078 17.2113 20.1850 20.2001 23.5955 23.6615 24.3160 24.3711 26.8029 26.8569 27.2252 27.2315 k = 0.1481 0.2566 0.5519 ( 740 PWs) bands (ev): -33.4131 -33.4131 -11.6988 -11.6909 -9.6868 -9.6647 -8.7960 -8.7592 6.3408 6.3415 14.1549 14.1957 15.3133 15.3180 17.1849 17.1885 20.1805 20.1962 23.4610 23.5243 24.2847 24.3387 26.6879 26.7400 27.1728 27.1799 k = 0.1435 0.2486 0.5519 ( 740 PWs) bands (ev): -33.4176 -33.4176 -11.7007 -11.6936 -9.6741 -9.6532 -8.7780 -8.7438 6.3792 6.3797 14.1150 14.1526 15.4080 15.4123 17.1635 17.1674 20.1805 20.1968 23.3301 23.3907 24.2554 24.3083 26.5724 26.6229 27.1175 27.1249 k = 0.1389 0.2406 0.5519 ( 736 PWs) bands (ev): -33.4219 -33.4219 -11.7028 -11.6965 -9.6611 -9.6416 -8.7600 -8.7282 6.4177 6.4183 14.0738 14.1083 15.5019 15.5057 17.1438 17.1479 20.1850 20.2018 23.2029 23.2609 24.2284 24.2801 26.4568 26.5059 27.0593 27.0668 k = 0.1343 0.2325 0.5519 ( 736 PWs) bands (ev): -33.4263 -33.4263 -11.7051 -11.6994 -9.6481 -9.6298 -8.7421 -8.7127 6.4565 6.4570 14.0314 14.0629 15.5949 15.5982 17.1258 17.1300 20.1940 20.2112 23.0795 23.1349 24.2036 24.2542 26.3414 26.3892 26.9981 27.0055 k = 0.1296 0.2245 0.5519 ( 736 PWs) bands (ev): -33.4307 -33.4307 -11.7075 -11.7024 -9.6349 -9.6180 -8.7242 -8.6972 6.4953 6.4957 13.9879 14.0166 15.6866 15.6895 17.1094 17.1137 20.2073 20.2250 22.9600 23.0129 24.1811 24.2306 26.2266 26.2732 26.9340 26.9413 k = 0.1250 0.2165 0.5519 ( 736 PWs) bands (ev): -33.4351 -33.4351 -11.7101 -11.7056 -9.6218 -9.6061 -8.7064 -8.6817 6.5340 6.5344 13.9434 13.9694 15.7769 15.7793 17.0947 17.0992 20.2251 20.2432 22.8445 22.8949 24.1611 24.2094 26.1125 26.1580 26.8671 26.8743 k = 0.1204 0.2085 0.5519 ( 732 PWs) bands (ev): -33.4392 -33.4392 -11.7128 -11.7087 -9.6086 -9.5943 -8.6888 -8.6663 6.5726 6.5730 13.8981 13.9215 15.8656 15.8676 17.0816 17.0862 20.2471 20.2655 22.7331 22.7810 24.1435 24.1907 25.9995 26.0439 26.7977 26.8045 k = 0.1157 0.2005 0.5519 ( 732 PWs) bands (ev): -33.4435 -33.4435 -11.7156 -11.7120 -9.5956 -9.5825 -8.6713 -8.6509 6.6109 6.6113 13.8521 13.8731 15.9525 15.9540 17.0702 17.0750 20.2733 20.2920 22.6258 22.6713 24.1284 24.1744 25.8879 25.9312 26.7257 26.7323 k = 0.1111 0.1925 0.5519 ( 732 PWs) bands (ev): -33.4477 -33.4477 -11.7184 -11.7153 -9.5827 -9.5708 -8.6540 -8.6356 6.6489 6.6492 13.8056 13.8243 16.0374 16.0383 17.0603 17.0653 20.3035 20.3224 22.5226 22.5658 24.1159 24.1607 25.7779 25.8201 26.6514 26.6576 k = 0.1065 0.1844 0.5519 ( 732 PWs) bands (ev): -33.4518 -33.4518 -11.7214 -11.7187 -9.5700 -9.5592 -8.6369 -8.6204 6.6863 6.6866 13.7589 13.7754 16.1200 16.1205 17.0521 17.0572 20.3376 20.3566 22.4237 22.4646 24.1059 24.1494 25.6699 25.7109 26.5750 26.5809 k = 0.1019 0.1764 0.5519 ( 732 PWs) bands (ev): -33.4557 -33.4557 -11.7244 -11.7220 -9.5576 -9.5479 -8.6201 -8.6054 6.7232 6.7234 13.7120 13.7265 16.2002 16.2002 17.0454 17.0506 20.3754 20.3943 22.3290 22.3676 24.0984 24.1406 25.5640 25.6038 26.4967 26.5022 k = 0.0972 0.1684 0.5519 ( 732 PWs) bands (ev): -33.4596 -33.4596 -11.7274 -11.7254 -9.5454 -9.5368 -8.6035 -8.5905 6.7593 6.7595 13.6652 13.6779 16.2773 16.2778 17.0403 17.0455 20.4165 20.4354 22.2385 22.2750 24.0935 24.1343 25.4605 25.4991 26.4167 26.4218 k = 0.0926 0.1604 0.5519 ( 736 PWs) bands (ev): -33.4636 -33.4636 -11.7305 -11.7288 -9.5336 -9.5260 -8.5873 -8.5759 6.7947 6.7948 13.6187 13.6297 16.3515 16.3526 17.0365 17.0419 20.4607 20.4795 22.1524 22.1868 24.0909 24.1303 25.3597 25.3971 26.3353 26.3400 k = 0.0880 0.1524 0.5519 ( 736 PWs) bands (ev): -33.4672 -33.4672 -11.7336 -11.7321 -9.5221 -9.5155 -8.5715 -8.5616 6.8291 6.8292 13.5728 13.5822 16.4229 16.4244 17.0342 17.0396 20.5078 20.5264 22.0706 22.1029 24.0908 24.1286 25.2619 25.2980 26.2527 26.2571 k = 0.0833 0.1443 0.5519 ( 736 PWs) bands (ev): -33.4708 -33.4708 -11.7366 -11.7354 -9.5110 -9.5053 -8.5561 -8.5475 6.8625 6.8626 13.5276 13.5356 16.4910 16.4930 17.0332 17.0386 20.5574 20.5757 21.9932 22.0234 24.0929 24.1292 25.1674 25.2021 26.1694 26.1734 k = 0.0787 0.1363 0.5519 ( 736 PWs) bands (ev): -33.4741 -33.4741 -11.7396 -11.7386 -9.5004 -9.4955 -8.5411 -8.5338 6.8947 6.8948 13.4833 13.4901 16.5559 16.5583 17.0333 17.0388 20.6092 20.6271 21.9201 21.9483 24.0972 24.1319 25.0763 25.1096 26.0856 26.0892 k = 0.0741 0.1283 0.5519 ( 740 PWs) bands (ev): -33.4775 -33.4775 -11.7426 -11.7417 -9.4903 -9.4862 -8.5267 -8.5206 6.9258 6.9258 13.4402 13.4459 16.6174 16.6202 17.0346 17.0401 20.6627 20.6801 21.8513 21.8776 24.1033 24.1364 24.9890 25.0208 26.0017 26.0050 k = 0.0694 0.1203 0.5519 ( 740 PWs) bands (ev): -33.4806 -33.4806 -11.7455 -11.7448 -9.4807 -9.4772 -8.5129 -8.5077 6.9554 6.9555 13.3986 13.4033 16.6754 16.6785 17.0369 17.0424 20.7175 20.7344 21.7870 21.8114 24.1113 24.1426 24.9056 24.9359 25.9183 25.9212 k = 0.0648 0.1123 0.5519 ( 742 PWs) bands (ev): -33.4836 -33.4836 -11.7482 -11.7477 -9.4717 -9.4688 -8.4996 -8.4954 6.9837 6.9838 13.3585 13.3623 16.7297 16.7331 17.0401 17.0455 20.7731 20.7893 21.7271 21.7496 24.1209 24.1504 24.8265 24.8551 25.8357 25.8382 k = 0.0602 0.1042 0.5519 ( 738 PWs) bands (ev): -33.4862 -33.4862 -11.7509 -11.7504 -9.4631 -9.4608 -8.4870 -8.4836 7.0104 7.0105 13.3202 13.3233 16.7803 16.7839 17.0441 17.0494 20.8290 20.8445 21.6716 21.6923 24.1318 24.1594 24.7519 24.7788 25.7545 25.7566 k = 0.0556 0.0962 0.5519 ( 738 PWs) bands (ev): -33.4888 -33.4888 -11.7534 -11.7531 -9.4552 -9.4533 -8.4752 -8.4725 7.0356 7.0356 13.2839 13.2863 16.8271 16.8309 17.0487 17.0539 20.8846 20.8993 21.6206 21.6394 24.1437 24.1694 24.6820 24.7071 25.6751 25.6770 k = 0.0509 0.0882 0.5519 ( 746 PWs) bands (ev): -33.4915 -33.4915 -11.7559 -11.7556 -9.4479 -9.4464 -8.4641 -8.4620 7.0590 7.0591 13.2498 13.2517 16.8700 16.8739 17.0538 17.0588 20.9392 20.9529 21.5740 21.5911 24.1562 24.1800 24.6170 24.6402 25.5983 25.5998 k = 0.0463 0.0802 0.5519 ( 746 PWs) bands (ev): -33.4937 -33.4937 -11.7581 -11.7579 -9.4411 -9.4400 -8.4538 -8.4522 7.0807 7.0807 13.2181 13.2195 16.9091 16.9130 17.0594 17.0641 20.9921 21.0048 21.5321 21.5474 24.1693 24.1909 24.5572 24.5785 25.5247 25.5259 k = 0.0417 0.0722 0.5519 ( 746 PWs) bands (ev): -33.4957 -33.4957 -11.7602 -11.7600 -9.4350 -9.4342 -8.4443 -8.4432 7.1006 7.1006 13.1888 13.1898 16.9443 16.9481 17.0651 17.0696 21.0426 21.0541 21.4949 21.5084 24.1823 24.2018 24.5029 24.5221 25.4549 25.4559 k = 0.0370 0.0642 0.5519 ( 750 PWs) bands (ev): -33.4977 -33.4977 -11.7621 -11.7620 -9.4295 -9.4290 -8.4358 -8.4349 7.1185 7.1185 13.1622 13.1629 16.9755 16.9791 17.0710 17.0751 21.0897 21.0999 21.4627 21.4743 24.1950 24.2122 24.4541 24.4712 25.3897 25.3904 k = 0.0324 0.0561 0.5519 ( 752 PWs) bands (ev): -33.4994 -33.4994 -11.7638 -11.7637 -9.4247 -9.4243 -8.4281 -8.4276 7.1345 7.1345 13.1384 13.1389 17.0027 17.0060 17.0770 17.0806 21.1324 21.1411 21.4358 21.4455 24.2069 24.2218 24.4114 24.4262 25.3298 25.3303 k = 0.0278 0.0481 0.5519 ( 748 PWs) bands (ev): -33.5006 -33.5006 -11.7652 -11.7652 -9.4205 -9.4202 -8.4214 -8.4211 7.1484 7.1484 13.1175 13.1178 17.0260 17.0288 17.0830 17.0860 21.1697 21.1767 21.4147 21.4223 24.2175 24.2298 24.3750 24.3873 25.2760 25.2763 k = 0.0231 0.0401 0.5519 ( 748 PWs) bands (ev): -33.5018 -33.5018 -11.7665 -11.7665 -9.4169 -9.4168 -8.4157 -8.4155 7.1603 7.1603 13.0997 13.0999 17.0450 17.0472 17.0891 17.0914 21.2000 21.2051 21.3998 21.4053 24.2262 24.2358 24.3455 24.3550 25.2289 25.2291 k = 0.0185 0.0321 0.5519 ( 744 PWs) bands (ev): -33.5026 -33.5026 -11.7676 -11.7676 -9.4140 -9.4139 -8.4110 -8.4109 7.1701 7.1701 13.0849 13.0850 17.0599 17.0613 17.0951 17.0966 21.2225 21.2257 21.3916 21.3949 24.2323 24.2388 24.3234 24.3299 25.1893 25.1894 k = 0.0139 0.0241 0.5519 ( 744 PWs) bands (ev): -33.5033 -33.5033 -11.7684 -11.7684 -9.4117 -9.4117 -8.4073 -8.4073 7.1777 7.1777 13.0734 13.0734 17.0706 17.0713 17.1009 17.1017 21.2370 21.2385 21.3890 21.3906 24.2351 24.2385 24.3090 24.3124 25.1577 25.1578 k = 0.0093 0.0160 0.5519 ( 744 PWs) bands (ev): -33.5039 -33.5039 -11.7690 -11.7690 -9.4101 -9.4101 -8.4047 -8.4047 7.1832 7.1832 13.0651 13.0651 17.0774 17.0776 17.1059 17.1061 21.2448 21.2452 21.3899 21.3904 24.2349 24.2360 24.3012 24.3023 25.1348 25.1348 k = 0.0046 0.0080 0.5519 ( 744 PWs) bands (ev): -33.5042 -33.5042 -11.7693 -11.7693 -9.4091 -9.4091 -8.4031 -8.4031 7.1865 7.1865 13.0601 13.0601 17.0811 17.0811 17.1092 17.1092 21.2481 21.2482 21.3917 21.3918 24.2332 24.2333 24.2976 24.2978 25.1209 25.1209 k = 0.0000 0.0000 0.5519 ( 744 PWs) bands (ev): -33.5043 -33.5043 -11.7695 -11.7695 -9.4088 -9.4088 -8.4026 -8.4026 7.1876 7.1876 13.0584 13.0584 17.0823 17.0823 17.1103 17.1103 21.2490 21.2490 21.3925 21.3925 24.2323 24.2323 24.2966 24.2966 25.1162 25.1162 k = 0.5000 0.2887 0.5519 ( 732 PWs) bands (ev): -33.3281 -33.3281 -11.6973 -11.6973 -9.9346 -9.9346 -8.9725 -8.9725 5.5995 5.5995 14.2833 14.2833 15.1563 15.1563 15.7219 15.7219 22.1496 22.1496 26.0329 26.0329 26.1166 26.1166 27.6971 27.6971 28.5444 28.5444 k = 0.5000 0.2887 0.5427 ( 734 PWs) bands (ev): -33.3283 -33.3283 -11.6974 -11.6963 -9.9353 -9.9333 -8.9728 -8.9725 5.5989 5.6014 14.2757 14.2850 15.1578 15.1580 15.7173 15.7337 22.1459 22.1505 26.0281 26.0336 26.1147 26.1152 27.6874 27.6988 28.5410 28.5452 k = 0.5000 0.2887 0.5335 ( 734 PWs) bands (ev): -33.3289 -33.3289 -11.6965 -11.6942 -9.9354 -9.9315 -8.9735 -8.9728 5.5999 5.6049 14.2627 14.2809 15.1627 15.1632 15.7199 15.7524 22.1394 22.1487 26.0189 26.0305 26.1098 26.1101 27.6700 27.6927 28.5350 28.5433 k = 0.5000 0.2887 0.5243 ( 730 PWs) bands (ev): -33.3296 -33.3296 -11.6945 -11.6910 -9.9349 -9.9290 -8.9745 -8.9734 5.6023 5.6097 14.2447 14.2711 15.1709 15.1716 15.7297 15.7775 22.1302 22.1442 26.0046 26.0238 26.1013 26.1022 27.6451 27.6793 28.5263 28.5387 k = 0.5000 0.2887 0.5151 ( 730 PWs) bands (ev): -33.3309 -33.3309 -11.6916 -11.6869 -9.9339 -9.9259 -8.9759 -8.9744 5.6061 5.6160 14.2223 14.2560 15.1824 15.1834 15.7462 15.8083 22.1183 22.1370 25.9846 26.0132 26.0886 26.0925 27.6133 27.6588 28.5150 28.5315 k = 0.5000 0.2887 0.5059 ( 730 PWs) bands (ev): -33.3325 -33.3325 -11.6877 -11.6819 -9.9322 -9.9223 -8.9775 -8.9756 5.6113 5.6237 14.1962 14.2362 15.1972 15.1984 15.7689 15.8442 22.1035 22.1270 25.9586 25.9984 26.0723 26.0810 27.5753 27.6322 28.5011 28.5216 k = 0.5000 0.2887 0.4967 ( 734 PWs) bands (ev): -33.3347 -33.3347 -11.6829 -11.6760 -9.9299 -9.9180 -8.9795 -8.9772 5.6179 5.6328 14.1671 14.2122 15.2152 15.2167 15.7968 15.8842 22.0860 22.1143 25.9260 25.9787 26.0529 26.0678 27.5320 27.6001 28.4845 28.5090 k = 0.5000 0.2887 0.4875 ( 736 PWs) bands (ev): -33.3371 -33.3371 -11.6772 -11.6692 -9.9269 -9.9131 -8.9817 -8.9791 5.6258 5.6432 14.1358 14.1848 15.2365 15.2383 15.8295 15.9277 22.0656 22.0988 25.8866 25.9530 26.0313 26.0530 27.4846 27.5637 28.4655 28.4938 k = 0.5000 0.2887 0.4783 ( 736 PWs) bands (ev): -33.3398 -33.3398 -11.6707 -11.6616 -9.9233 -9.9076 -8.9842 -8.9812 5.6350 5.6548 14.1029 14.1547 15.2611 15.2631 15.8659 15.9739 22.0424 22.0806 25.8402 25.9201 26.0084 26.0368 27.4343 27.5241 28.4439 28.4759 k = 0.5000 0.2887 0.4691 ( 736 PWs) bands (ev): -33.3428 -33.3428 -11.6634 -11.6532 -9.9189 -9.9013 -8.9870 -8.9836 5.6454 5.6676 14.0688 14.1227 15.2888 15.2911 15.9054 16.0222 22.0164 22.0596 25.7869 25.8794 25.9848 26.0190 27.3823 27.4822 28.4197 28.4554 k = 0.5000 0.2887 0.4599 ( 736 PWs) bands (ev): -33.3461 -33.3461 -11.6555 -11.6442 -9.9138 -9.8943 -8.9899 -8.9861 5.6570 5.6816 14.0343 14.0892 15.3196 15.3223 15.9473 16.0719 21.9875 22.0358 25.7268 25.8306 25.9606 25.9998 27.3298 27.4391 28.3931 28.4323 k = 0.5000 0.2887 0.4507 ( 736 PWs) bands (ev): -33.3498 -33.3498 -11.6469 -11.6345 -9.9079 -9.8865 -8.9931 -8.9889 5.6696 5.6967 13.9997 14.0550 15.3536 15.3565 15.9907 16.1224 21.9556 22.0090 25.6601 25.7740 25.9357 25.9791 27.2779 27.3957 28.3640 28.4066 k = 0.5000 0.2887 0.4415 ( 736 PWs) bands (ev): -33.3537 -33.3537 -11.6377 -11.6244 -9.9012 -9.8780 -8.9964 -8.9918 5.6833 5.7128 13.9655 14.0206 15.3906 15.3938 16.0352 16.1731 21.9207 21.9793 25.5873 25.7102 25.9098 25.9570 27.2274 27.3528 28.3324 28.3783 k = 0.5000 0.2887 0.4323 ( 736 PWs) bands (ev): -33.3579 -33.3579 -11.6281 -11.6138 -9.8936 -9.8687 -8.9998 -8.9949 5.6980 5.7297 13.9320 13.9863 15.4306 15.4342 16.0801 16.2236 21.8826 21.9465 25.5090 25.6398 25.8830 25.9335 27.1793 27.3111 28.2985 28.3476 k = 0.5000 0.2887 0.4231 ( 736 PWs) bands (ev): -33.3625 -33.3625 -11.6181 -11.6028 -9.8852 -9.8586 -9.0033 -8.9980 5.7135 5.7476 13.8995 13.9525 15.4736 15.4775 16.1249 16.2734 21.8414 21.9104 25.4261 25.5636 25.8551 25.9087 27.1339 27.2710 28.2621 28.3143 k = 0.5000 0.2887 0.4139 ( 736 PWs) bands (ev): -33.3673 -33.3672 -11.6078 -11.5916 -9.8759 -9.8476 -9.0069 -9.0012 5.7298 5.7661 13.8683 13.9197 15.5194 15.5236 16.1692 16.3221 21.7968 21.8709 25.3395 25.4829 25.8262 25.8827 27.0915 27.2328 28.2234 28.2786 k = 0.5000 0.2887 0.4047 ( 736 PWs) bands (ev): -33.3723 -33.3723 -11.5973 -11.5802 -9.8656 -9.8358 -9.0104 -9.0043 5.7467 5.7853 13.8387 13.8880 15.5681 15.5726 16.2125 16.3692 21.7488 21.8278 25.2505 25.3986 25.7963 25.8555 27.0524 27.1967 28.1824 28.2405 k = 0.5000 0.2887 0.3955 ( 740 PWs) bands (ev): -33.3777 -33.3777 -11.5867 -11.5688 -9.8545 -9.8231 -9.0139 -9.0074 5.7643 5.8050 13.8108 13.8578 15.6194 15.6244 16.2544 16.4145 21.6971 21.7810 25.1600 25.3122 25.7653 25.8272 27.0164 27.1628 28.1392 28.2000 k = 0.5000 0.2887 0.3863 ( 740 PWs) bands (ev): -33.3832 -33.3832 -11.5760 -11.5574 -9.8424 -9.8096 -9.0172 -9.0104 5.7824 5.8252 13.7848 13.8293 15.6735 15.6788 16.2946 16.4574 21.6416 21.7301 25.0696 25.2250 25.7336 25.7981 26.9834 27.1311 28.0937 28.1573 k = 0.5000 0.2887 0.3771 ( 748 PWs) bands (ev): -33.3893 -33.3893 -11.5654 -11.5461 -9.8295 -9.7954 -9.0203 -9.0132 5.8008 5.8458 13.7609 13.8026 15.7301 15.7358 16.3328 16.4978 21.5822 21.6749 24.9803 25.1382 25.7010 25.7679 26.9532 27.1015 28.0461 28.1122 k = 0.5000 0.2887 0.3679 ( 748 PWs) bands (ev): -33.3951 -33.3951 -11.5549 -11.5350 -9.8156 -9.7802 -9.0231 -9.0157 5.8196 5.8665 13.7393 13.7780 15.7892 15.7954 16.3687 16.5354 21.5188 21.6154 24.8936 25.0533 25.6677 25.7371 26.9258 27.0741 27.9965 28.0651 k = 0.5000 0.2887 0.3587 ( 752 PWs) bands (ev): -33.4014 -33.4014 -11.5447 -11.5242 -9.8009 -9.7644 -9.0256 -9.0178 5.8386 5.8874 13.7199 13.7554 15.8506 15.8573 16.4021 16.5700 21.4512 21.5512 24.8104 24.9714 25.6339 25.7056 26.9008 27.0486 27.9449 28.0159 k = 0.5000 0.2887 0.3495 ( 752 PWs) bands (ev): -33.4076 -33.4076 -11.5346 -11.5137 -9.7854 -9.7479 -9.0276 -9.0196 5.8577 5.9083 13.7029 13.7351 15.9143 15.9216 16.4327 16.6012 21.3793 21.4822 24.7319 24.8937 25.5996 25.6736 26.8781 27.0249 27.8914 27.9647 k = 0.5000 0.2887 0.3403 ( 748 PWs) bands (ev): -33.4138 -33.4138 -11.5249 -11.5036 -9.7691 -9.7308 -9.0290 -9.0207 5.8768 5.9292 13.6884 13.7172 15.9801 15.9881 16.4606 16.6290 21.3032 21.4084 24.6590 24.8210 25.5649 25.6412 26.8575 27.0032 27.8361 27.9117 k = 0.5000 0.2887 0.3311 ( 748 PWs) bands (ev): -33.4202 -33.4202 -11.5156 -11.4940 -9.7523 -9.7133 -9.0297 -9.0213 5.8958 5.9498 13.6764 13.7016 16.0479 16.0566 16.4855 16.6532 21.2227 21.3296 24.5925 24.7542 25.5299 25.6083 26.8389 26.9831 27.7790 27.8567 k = 0.5000 0.2887 0.3219 ( 750 PWs) bands (ev): -33.4269 -33.4269 -11.5068 -11.4849 -9.7349 -9.6954 -9.0296 -9.0211 5.9147 5.9702 13.6669 13.6884 16.1176 16.1272 16.5075 16.6738 21.1381 21.2461 24.5329 24.6939 25.4947 25.5752 26.8221 26.9647 27.7203 27.8001 k = 0.5000 0.2887 0.3127 ( 746 PWs) bands (ev): -33.4334 -33.4334 -11.4984 -11.4764 -9.7172 -9.6773 -9.0286 -9.0200 5.9333 5.9903 13.6599 13.6777 16.1888 16.1996 16.5267 16.6908 21.0495 21.1578 24.4807 24.6406 25.4593 25.5419 26.8071 26.9479 27.6600 27.7419 k = 0.5000 0.2887 0.3035 ( 746 PWs) bands (ev): -33.4401 -33.4401 -11.4906 -11.4685 -9.6993 -9.6592 -9.0265 -9.0180 5.9515 6.0098 13.6553 13.6693 16.2612 16.2737 16.5432 16.7041 20.9570 21.0652 24.4361 24.5944 25.4239 25.5084 26.7940 26.9328 27.5983 27.6822 k = 0.5000 0.2887 0.2943 ( 746 PWs) bands (ev): -33.4468 -33.4468 -11.4833 -11.4612 -9.6813 -9.6413 -9.0231 -9.0148 5.9694 6.0288 13.6532 13.6633 16.3344 16.3493 16.5576 16.7139 20.8611 20.9684 24.3992 24.5557 25.3885 25.4750 26.7825 26.9194 27.5353 27.6212 k = 0.5000 0.2887 0.2851 ( 746 PWs) bands (ev): -33.4536 -33.4536 -11.4766 -11.4546 -9.6635 -9.6238 -9.0184 -9.0103 5.9868 6.0472 13.6534 13.6596 16.4071 16.4264 16.5711 16.7202 20.7619 20.8678 24.3699 24.5243 25.3533 25.4416 26.7729 26.9077 27.4712 27.5589 k = 0.5000 0.2887 0.2759 ( 746 PWs) bands (ev): -33.4604 -33.4604 -11.4704 -11.4486 -9.6460 -9.6068 -9.0121 -9.0044 6.0036 6.0649 13.6558 13.6581 16.4755 16.5048 16.5876 16.7234 20.6599 20.7640 24.3480 24.5000 25.3182 25.4083 26.7650 26.8977 27.4060 27.4956 k = 0.5000 0.2887 0.2667 ( 754 PWs) bands (ev): -33.4676 -33.4676 -11.4649 -11.4433 -9.6291 -9.5907 -9.0042 -8.9970 6.0199 6.0819 13.6586 13.6604 16.5272 16.5843 16.6193 16.7236 20.5554 20.6572 24.3331 24.4826 25.2833 25.3751 26.7589 26.8895 27.3398 27.4313 k = 0.5000 0.2887 0.2575 ( 754 PWs) bands (ev): -33.4743 -33.4743 -11.4599 -11.4386 -9.6130 -9.5755 -8.9945 -8.9880 6.0355 6.0980 13.6612 13.6669 16.5510 16.6646 16.6779 16.7212 20.4489 20.5480 24.3249 24.4717 25.2489 25.3423 26.7547 26.8831 27.2729 27.3663 k = 0.5000 0.2887 0.2483 ( 754 PWs) bands (ev): -33.4810 -33.4810 -11.4554 -11.4345 -9.5977 -9.5614 -8.9829 -8.9772 6.0504 6.1133 13.6656 13.6752 16.5593 16.7164 16.7459 16.7509 20.3408 20.4368 24.3228 24.4668 25.2149 25.3098 26.7524 26.8787 27.2055 27.3009 k = 0.5000 0.2887 0.2392 ( 754 PWs) bands (ev): -33.4877 -33.4877 -11.4515 -11.4310 -9.5835 -9.5486 -8.9695 -8.9647 6.0646 6.1276 13.6717 13.6852 16.5619 16.7099 16.8275 16.8288 20.2313 20.3241 24.3264 24.4675 25.1814 25.2776 26.7520 26.8763 27.1377 27.2351 k = 0.5000 0.2887 0.2300 ( 754 PWs) bands (ev): -33.4942 -33.4942 -11.4481 -11.4281 -9.5705 -9.5372 -8.9542 -8.9505 6.0781 6.1410 13.6792 13.6965 16.5619 16.7020 16.9086 16.9096 20.1209 20.2103 24.3350 24.4730 25.1484 25.2460 26.7534 26.8760 27.0697 27.1695 k = 0.5000 0.2887 0.2208 ( 754 PWs) bands (ev): -33.5007 -33.5007 -11.4452 -11.4258 -9.5588 -9.5271 -8.9372 -8.9345 6.0908 6.1535 13.6880 13.7090 16.5606 16.6932 16.9893 16.9917 20.0099 20.0958 24.3480 24.4830 25.1161 25.2148 26.7565 26.8777 27.0018 27.1044 k = 0.5000 0.2887 0.2116 ( 752 PWs) bands (ev): -33.5069 -33.5069 -11.4427 -11.4239 -9.5484 -9.5185 -8.9185 -8.9169 6.1027 6.1650 13.6978 13.7224 16.5590 16.6840 17.0704 17.0738 19.8987 19.9808 24.3649 24.4966 25.0845 25.1841 26.7608 26.8811 26.9347 27.0406 k = 0.5000 0.2887 0.2024 ( 756 PWs) bands (ev): -33.5133 -33.5133 -11.4407 -11.4225 -9.5392 -9.5112 -8.8984 -8.8979 6.1139 6.1755 13.7084 13.7364 16.5575 16.6750 17.1513 17.1555 19.7874 19.8658 24.3849 24.5133 25.0535 25.1540 26.7649 26.8629 26.8919 26.9797 k = 0.5000 0.2887 0.1932 ( 752 PWs) bands (ev): -33.5192 -33.5192 -11.4391 -11.4216 -9.5313 -9.5052 -8.8775 -8.8770 6.1243 6.1850 13.7196 13.7507 16.5568 16.6668 17.2318 17.2367 19.6763 19.7511 24.4076 24.5325 25.0235 25.1245 26.7653 26.7981 26.8987 26.9254 k = 0.5000 0.2887 0.1840 ( 752 PWs) bands (ev): -33.5251 -33.5251 -11.4378 -11.4210 -9.5246 -9.5003 -8.8560 -8.8545 6.1339 6.1936 13.7311 13.7652 16.5575 16.6599 17.3116 17.3170 19.5657 19.6367 24.4323 24.5537 24.9943 25.0957 26.7323 26.7534 26.8867 26.9098 k = 0.5000 0.2887 0.1748 ( 752 PWs) bands (ev): -33.5308 -33.5308 -11.4368 -11.4208 -9.5190 -9.4965 -8.8336 -8.8313 6.1429 6.2012 13.7426 13.7794 16.5601 16.6550 17.3904 17.3963 19.4557 19.5230 24.4585 24.5761 24.9660 25.0675 26.6675 26.7198 26.8733 26.9234 k = 0.5000 0.2887 0.1656 ( 754 PWs) bands (ev): -33.5364 -33.5364 -11.4362 -11.4209 -9.5144 -9.4937 -8.8106 -8.8076 6.1511 6.2079 13.7541 13.7931 16.5649 16.6524 17.4678 17.4741 19.3465 19.4102 24.4857 24.5994 24.9388 25.0401 26.6041 26.6702 26.8795 26.9394 k = 0.5000 0.2887 0.1564 ( 754 PWs) bands (ev): -33.5417 -33.5417 -11.4357 -11.4212 -9.5107 -9.4917 -8.7872 -8.7836 6.1587 6.2138 13.7652 13.8062 16.5726 16.6527 17.5437 17.5502 19.2383 19.2984 24.5133 24.6229 24.9126 25.0135 26.5422 26.6144 26.8956 26.9578 k = 0.5000 0.2887 0.1472 ( 754 PWs) bands (ev): -33.5467 -33.5467 -11.4355 -11.4218 -9.5078 -9.4903 -8.7637 -8.7596 6.1656 6.2188 13.7757 13.8182 16.5833 16.6564 17.6176 17.6244 19.1312 19.1879 24.5409 24.6462 24.8876 24.9877 26.4823 26.5571 26.9171 26.9783 k = 0.5000 0.2887 0.1380 ( 754 PWs) bands (ev): -33.5516 -33.5516 -11.4355 -11.4226 -9.5055 -9.4896 -8.7403 -8.7358 6.1719 6.2229 13.7857 13.8292 16.5975 16.6638 17.6893 17.6963 19.0255 19.0788 24.5682 24.6690 24.8639 24.9627 26.4246 26.5001 26.9423 27.0008 k = 0.5000 0.2887 0.1288 ( 754 PWs) bands (ev): -33.5561 -33.5561 -11.4356 -11.4235 -9.5038 -9.4893 -8.7172 -8.7124 6.1777 6.2264 13.7948 13.8388 16.6153 16.6752 17.7583 17.7655 18.9212 18.9713 24.5946 24.6908 24.8415 24.9387 26.3694 26.4443 26.9701 27.0250 k = 0.5000 0.2887 0.1196 ( 752 PWs) bands (ev): -33.5604 -33.5604 -11.4358 -11.4246 -9.5025 -9.4894 -8.6947 -8.6898 6.1830 6.2291 13.8031 13.8471 16.6369 16.6908 17.8245 17.8319 18.8186 18.8656 24.6199 24.7113 24.8207 24.9158 26.3169 26.3904 26.9999 27.0508 k = 0.5000 0.2887 0.1104 ( 752 PWs) bands (ev): -33.5644 -33.5644 -11.4361 -11.4257 -9.5017 -9.4898 -8.6729 -8.6680 6.1878 6.2311 13.8106 13.8539 16.6624 16.7106 17.8873 17.8949 18.7179 18.7620 24.6436 24.7300 24.8017 24.8941 26.2675 26.3387 27.0311 27.0776 k = 0.5000 0.2887 0.1012 ( 752 PWs) bands (ev): -33.5682 -33.5682 -11.4365 -11.4269 -9.5011 -9.4905 -8.6522 -8.6473 6.1922 6.2326 13.8171 13.8593 16.6917 16.7347 17.9466 17.9543 18.6194 18.6608 24.6656 24.7455 24.7859 24.8738 26.2214 26.2896 27.0631 27.1050 k = 0.5000 0.2887 0.0920 ( 752 PWs) bands (ev): -33.5716 -33.5716 -11.4369 -11.4282 -9.5008 -9.4913 -8.6325 -8.6279 6.1962 6.2335 13.8229 13.8633 16.7247 16.7629 18.0017 18.0097 18.5235 18.5625 24.6852 24.7519 24.7791 24.8552 26.1789 26.2434 27.0954 27.1327 k = 0.5000 0.2887 0.0828 ( 752 PWs) bands (ev): -33.5748 -33.5748 -11.4373 -11.4294 -9.5006 -9.4922 -8.6143 -8.6098 6.1999 6.2340 13.8279 13.8660 16.7609 16.7948 18.0521 18.0606 18.4308 18.4676 24.7020 24.7440 24.7864 24.8388 26.1401 26.2003 27.1273 27.1601 k = 0.5000 0.2887 0.0736 ( 752 PWs) bands (ev): -33.5776 -33.5776 -11.4376 -11.4306 -9.5005 -9.4932 -8.5975 -8.5934 6.2033 6.2340 13.8322 13.8676 16.8000 16.8299 18.0969 18.1064 18.3421 18.3774 24.7153 24.7325 24.7973 24.8255 26.1054 26.1607 27.1583 27.1867 k = 0.5000 0.2887 0.0644 ( 752 PWs) bands (ev): -33.5802 -33.5801 -11.4379 -11.4318 -9.5005 -9.4942 -8.5823 -8.5785 6.2065 6.2336 13.8360 13.8681 16.8413 16.8676 18.1332 18.1447 18.2603 18.2952 24.7218 24.7237 24.8074 24.8165 26.0748 26.1246 27.1877 27.2119 k = 0.5000 0.2887 0.0552 ( 752 PWs) bands (ev): -33.5824 -33.5824 -11.4382 -11.4329 -9.5006 -9.4952 -8.5688 -8.5655 6.2094 6.2329 13.8394 13.8677 16.8838 16.9068 18.1455 18.1512 18.2105 18.2370 24.7126 24.7266 24.8125 24.8161 26.0486 26.0924 27.2149 27.2350 k = 0.5000 0.2887 0.0460 ( 752 PWs) bands (ev): -33.5842 -33.5842 -11.4383 -11.4340 -9.5006 -9.4962 -8.5572 -8.5544 6.2122 6.2319 13.8424 13.8666 16.9264 16.9461 18.0918 18.1029 18.2275 18.2347 24.7052 24.7245 24.8133 24.8231 26.0269 26.0642 27.2393 27.2556 k = 0.5000 0.2887 0.0368 ( 752 PWs) bands (ev): -33.5858 -33.5858 -11.4384 -11.4349 -9.5006 -9.4971 -8.5475 -8.5452 6.2147 6.2306 13.8452 13.8649 16.9674 16.9838 18.0283 18.0416 18.2514 18.2536 24.6997 24.7192 24.8170 24.8283 26.0097 26.0401 27.2603 27.2731 k = 0.5000 0.2887 0.0276 ( 752 PWs) bands (ev): -33.5870 -33.5870 -11.4384 -11.4358 -9.5005 -9.4979 -8.5398 -8.5381 6.2172 6.2292 13.8478 13.8629 17.0045 17.0174 17.9738 17.9854 18.2711 18.2719 24.6962 24.7127 24.8218 24.8319 25.9973 26.0203 27.2775 27.2869 k = 0.5000 0.2887 0.0184 ( 748 PWs) bands (ev): -33.5877 -33.5877 -11.4383 -11.4365 -9.5003 -9.4986 -8.5342 -8.5330 6.2195 6.2275 13.8504 13.8606 17.0350 17.0440 17.9320 17.9405 18.2856 18.2858 24.6948 24.7066 24.8264 24.8338 25.9895 26.0050 27.2905 27.2967 k = 0.5000 0.2887 0.0092 ( 744 PWs) bands (ev): -33.5880 -33.5880 -11.4380 -11.4371 -9.5000 -9.4992 -8.5307 -8.5301 6.2217 6.2257 13.8530 13.8581 17.0560 17.0607 17.9062 17.9107 18.2943 18.2944 24.6952 24.7013 24.8303 24.8341 25.9864 25.9943 27.2991 27.3021 k = 0.5000 0.2887-0.0000 ( 744 PWs) bands (ev): -33.5882 -33.5882 -11.4376 -11.4376 -9.4996 -9.4996 -8.5293 -8.5293 6.2238 6.2238 13.8556 13.8556 17.0649 17.0649 17.8989 17.8989 18.2973 18.2973 24.6974 24.6974 24.8329 24.8329 25.9880 25.9880 27.3030 27.3030 k = 0.3333 0.5774-0.0000 ( 744 PWs) bands (ev): -33.5637 -33.5637 -11.4831 -11.3125 -9.8408 -9.5763 -8.6212 -8.5752 6.5057 6.6999 14.5931 14.5988 16.0079 16.2232 17.0304 17.0495 21.2905 21.3922 21.9276 21.9287 23.1755 23.2466 24.4643 24.6116 29.0517 29.1371 k = 0.3333 0.5774 0.0092 ( 744 PWs) bands (ev): -33.5636 -33.5636 -11.4830 -11.3125 -9.8405 -9.5761 -8.6225 -8.5764 6.5052 6.6993 14.5960 14.6017 16.0050 16.2200 17.0276 17.0468 21.2872 21.3884 21.9295 21.9306 23.1835 23.2544 24.4682 24.6155 29.0489 29.1343 k = 0.3333 0.5774 0.0184 ( 744 PWs) bands (ev): -33.5631 -33.5631 -11.4828 -11.3125 -9.8396 -9.5753 -8.6261 -8.5800 6.5036 6.6974 14.6048 14.6105 15.9962 16.2105 17.0196 17.0389 21.2775 21.3773 21.9354 21.9363 23.2073 23.2776 24.4797 24.6269 29.0405 29.1260 k = 0.3333 0.5774 0.0276 ( 744 PWs) bands (ev): -33.5622 -33.5622 -11.4825 -11.3126 -9.8380 -9.5741 -8.6321 -8.5859 6.5010 6.6942 14.6195 14.6251 15.9817 16.1947 17.0062 17.0258 21.2619 21.3596 21.9450 21.9457 23.2462 23.3156 24.4988 24.6458 29.0265 29.1121 k = 0.3333 0.5774 0.0368 ( 744 PWs) bands (ev): -33.5610 -33.5610 -11.4821 -11.3126 -9.8359 -9.5725 -8.6404 -8.5941 6.4974 6.6898 14.6400 14.6455 15.9616 16.1727 16.9876 17.0076 21.2415 21.3365 21.9585 21.9588 23.2990 23.3674 24.5253 24.6721 29.0071 29.0928 k = 0.3333 0.5774 0.0460 ( 753 PWs) bands (ev): -33.5599 -33.5599 -11.4815 -11.3128 -9.8332 -9.5704 -8.6511 -8.6046 6.4928 6.6842 14.6662 14.6716 15.9358 16.1446 16.9641 16.9846 21.2173 21.3090 21.9757 21.9757 23.3643 23.4316 24.5588 24.7054 28.9823 29.0681 k = 0.3333 0.5774 0.0552 ( 753 PWs) bands (ev): -33.5580 -33.5580 -11.4809 -11.3130 -9.8298 -9.5678 -8.6640 -8.6174 6.4872 6.6773 14.6981 14.7033 15.9046 16.1106 16.9358 16.9570 21.1903 21.2787 21.9965 21.9968 23.4408 23.5072 24.5994 24.7456 28.9524 29.0384 k = 0.3333 0.5774 0.0644 ( 753 PWs) bands (ev): -33.5559 -33.5558 -11.4801 -11.3132 -9.8258 -9.5647 -8.6792 -8.6323 6.4805 6.6691 14.7355 14.7406 15.8681 16.0709 16.9031 16.9250 21.1618 21.2467 22.0210 22.0217 23.5272 23.5928 24.6465 24.7923 28.9177 29.0038 k = 0.3333 0.5774 0.0736 ( 753 PWs) bands (ev): -33.5533 -33.5533 -11.4793 -11.3135 -9.8213 -9.5612 -8.6965 -8.6492 6.4729 6.6598 14.7783 14.7831 15.8265 16.0256 16.8662 16.8890 21.1327 21.2140 22.0495 22.0504 23.6220 23.6871 24.6997 24.8451 28.8782 28.9644 k = 0.3333 0.5774 0.0828 ( 747 PWs) bands (ev): -33.5503 -33.5503 -11.4784 -11.3138 -9.8162 -9.5572 -8.7157 -8.6682 6.4642 6.6492 14.8263 14.8309 15.7802 15.9751 16.8255 16.8492 21.1037 21.1815 22.0818 22.0830 23.7244 23.7891 24.7588 24.9036 28.8344 28.9207 k = 0.3333 0.5774 0.0920 ( 747 PWs) bands (ev): -33.5471 -33.5471 -11.4774 -11.3143 -9.8105 -9.5529 -8.7370 -8.6891 6.4546 6.6374 14.8795 14.8836 15.7292 15.9195 16.7812 16.8061 21.0757 21.1500 22.1180 22.1193 23.8331 23.8978 24.8231 24.9673 28.7863 28.8727 k = 0.3333 0.5774 0.1012 ( 747 PWs) bands (ev): -33.5437 -33.5437 -11.4765 -11.3149 -9.8043 -9.5481 -8.7601 -8.7118 6.4440 6.6244 14.9375 14.9411 15.6740 15.8593 16.7338 16.7600 21.0492 21.1201 22.1581 22.1596 23.9474 24.0123 24.8923 25.0358 28.7343 28.8207 k = 0.3333 0.5774 0.1104 ( 747 PWs) bands (ev): -33.5400 -33.5400 -11.4755 -11.3157 -9.7976 -9.5429 -8.7850 -8.7363 6.4324 6.6103 15.0002 15.0031 15.6149 15.7946 16.6837 16.7113 21.0246 21.0922 22.2021 22.2037 24.0666 24.1318 24.9659 25.1086 28.6789 28.7651 k = 0.3333 0.5774 0.1196 ( 747 PWs) bands (ev): -33.5360 -33.5360 -11.4746 -11.3166 -9.7903 -9.5372 -8.8115 -8.7623 6.4199 6.5950 15.0675 15.0690 15.5525 15.7259 16.6311 16.6602 21.0022 21.0666 22.2502 22.2519 24.1899 24.2557 25.0433 25.1852 28.6202 28.7063 k = 0.3333 0.5774 0.1288 ( 747 PWs) bands (ev): -33.5317 -33.5317 -11.4738 -11.3177 -9.7825 -9.5312 -8.8395 -8.7898 6.4065 6.5785 15.1381 15.1389 15.4877 15.6534 16.5766 16.6072 20.9824 21.0435 22.3022 22.3040 24.3169 24.3833 25.1241 25.2650 28.5587 28.6444 k = 0.3333 0.5774 0.1380 ( 741 PWs) bands (ev): -33.5269 -33.5269 -11.4730 -11.3191 -9.7742 -9.5249 -8.8689 -8.8185 6.3921 6.5610 15.2077 15.2144 15.4232 15.5775 16.5203 16.5527 20.9652 21.0233 22.3583 22.3602 24.4471 24.5143 25.2078 25.3475 28.4948 28.5801 k = 0.3333 0.5774 0.1472 ( 747 PWs) bands (ev): -33.5224 -33.5224 -11.4723 -11.3207 -9.7655 -9.5182 -8.8995 -8.8486 6.3769 6.5424 15.2617 15.2936 15.3750 15.4986 16.4627 16.4969 20.9507 21.0057 22.4185 22.4204 24.5799 24.6479 25.2937 25.4321 28.4288 28.5134 k = 0.3333 0.5774 0.1564 ( 747 PWs) bands (ev): -33.5173 -33.5173 -11.4718 -11.3225 -9.7564 -9.5111 -8.9313 -8.8797 6.3608 6.5228 15.2388 15.3762 15.4047 15.4169 16.4042 16.4402 20.9390 20.9911 22.4828 22.4847 24.7151 24.7839 25.3814 25.5183 28.3612 28.4449 k = 0.3333 0.5774 0.1656 ( 753 PWs) bands (ev): -33.5124 -33.5124 -11.4715 -11.3247 -9.7468 -9.5038 -8.9640 -8.9117 6.3439 6.5021 15.1708 15.3329 15.4619 15.4804 16.3450 16.3829 20.9300 20.9794 22.5511 22.5530 24.8522 24.9218 25.4704 25.6055 28.2924 28.3750 k = 0.3333 0.5774 0.1748 ( 759 PWs) bands (ev): -33.5072 -33.5072 -11.4714 -11.3273 -9.7368 -9.4961 -8.9976 -8.9445 6.3262 6.4805 15.0939 15.2468 15.5503 15.5660 16.2855 16.3252 20.9238 20.9705 22.6237 22.6255 24.9909 25.0613 25.5601 25.6929 28.2231 28.3041 k = 0.3333 0.5774 0.1840 ( 759 PWs) bands (ev): -33.5015 -33.5015 -11.4716 -11.3301 -9.7264 -9.4882 -9.0318 -8.9779 6.3077 6.4579 15.0135 15.1590 15.6409 15.6560 16.2263 16.2675 20.9203 20.9644 22.7004 22.7022 25.1311 25.2021 25.6501 25.7802 28.1536 28.2327 k = 0.3333 0.5774 0.1932 ( 759 PWs) bands (ev): -33.4957 -33.4957 -11.4720 -11.3334 -9.7157 -9.4800 -9.0665 -9.0118 6.2885 6.4345 14.9310 15.0699 15.7331 15.7491 16.1681 16.2100 20.9194 20.9609 22.7813 22.7831 25.2725 25.3439 25.7397 25.8665 28.0846 28.1612 k = 0.3333 0.5774 0.2024 ( 759 PWs) bands (ev): -33.4897 -33.4897 -11.4727 -11.3371 -9.7047 -9.4715 -9.1016 -9.0460 6.2686 6.4102 14.8471 14.9796 15.8250 15.8446 16.1123 16.1529 20.9209 20.9601 22.8664 22.8682 25.4147 25.4863 25.8284 25.9510 28.0168 28.0903 k = 0.3333 0.5774 0.2116 ( 759 PWs) bands (ev): -33.4835 -33.4835 -11.4739 -11.3412 -9.6934 -9.4628 -9.1369 -9.0804 6.2480 6.3852 14.7621 14.8887 15.9098 15.9420 16.0661 16.0964 20.9248 20.9617 22.9556 22.9573 25.5577 25.6288 25.9157 26.0329 27.9509 28.0206 k = 0.3333 0.5774 0.2208 ( 759 PWs) bands (ev): -33.4772 -33.4772 -11.4754 -11.3459 -9.6818 -9.4540 -9.1723 -9.1149 6.2268 6.3594 14.6765 14.7972 15.9450 16.0407 16.0409 16.0714 20.9310 20.9657 23.0489 23.0507 25.7011 25.7708 26.0013 26.1111 27.8879 27.9527 k = 0.3333 0.5774 0.2300 ( 759 PWs) bands (ev): -33.4708 -33.4708 -11.4773 -11.3510 -9.6700 -9.4449 -9.2076 -9.1493 6.2051 6.3330 14.5906 14.7055 15.9094 15.9860 16.1410 16.1495 20.9392 20.9719 23.1464 23.1481 25.8449 25.9111 26.0852 26.1847 27.8289 27.8875 k = 0.3333 0.5774 0.2392 ( 759 PWs) bands (ev): -33.4643 -33.4643 -11.4796 -11.3566 -9.6580 -9.4358 -9.2427 -9.1834 6.1829 6.3059 14.5046 14.6139 15.8585 15.9325 16.2419 16.2449 20.9495 20.9801 23.2478 23.2495 25.9887 26.0462 26.1697 26.2521 27.7751 27.8260 k = 0.3333 0.5774 0.2483 ( 759 PWs) bands (ev): -33.4577 -33.4577 -11.4825 -11.3628 -9.6457 -9.4265 -9.2775 -9.2171 6.1602 6.2783 14.4187 14.5226 15.8053 15.8802 16.3434 16.3440 20.9616 20.9904 23.3532 23.3549 26.1326 26.1652 26.2645 26.3120 27.7280 27.7694 k = 0.3333 0.5774 0.2575 ( 759 PWs) bands (ev): -33.4511 -33.4511 -11.4858 -11.3695 -9.6334 -9.4171 -9.3117 -9.2504 6.1372 6.2503 14.3333 14.4319 15.7524 15.8292 16.4445 16.4450 20.9753 21.0024 23.4625 23.4641 26.2531 26.2762 26.3627 26.3828 27.6891 27.7189 k = 0.3333 0.5774 0.2667 ( 759 PWs) bands (ev): -33.4444 -33.4444 -11.4897 -11.3768 -9.6209 -9.4076 -9.3454 -9.2831 6.1138 6.2219 14.2485 14.3420 15.7003 15.7798 16.5454 16.5466 20.9907 21.0161 23.5754 23.5770 26.3167 26.4026 26.4195 26.5163 27.6601 27.6760 k = 0.3333 0.5774 0.2759 ( 759 PWs) bands (ev): -33.4377 -33.4377 -11.4941 -11.3846 -9.6084 -9.3981 -9.3784 -9.3150 6.0901 6.1932 14.1646 14.2530 15.6495 15.7320 16.6460 16.6476 21.0074 21.0313 23.6919 23.6935 26.3649 26.4303 26.5622 26.6545 27.6423 27.6424 k = 0.3333 0.5774 0.2851 ( 759 PWs) bands (ev): -33.4309 -33.4309 -11.4991 -11.3930 -9.5958 -9.4106 -9.3885 -9.3461 6.0662 6.1642 14.0817 14.1652 15.6002 15.6857 16.7461 16.7480 21.0255 21.0479 23.8117 23.8133 26.3995 26.4452 26.7043 26.7937 27.6194 27.6365 k = 0.3333 0.5774 0.2943 ( 759 PWs) bands (ev): -33.4242 -33.4242 -11.5046 -11.4019 -9.5833 -9.4418 -9.3790 -9.3763 6.0422 6.1351 14.0001 14.0789 15.5524 15.6412 16.8453 16.8474 21.0446 21.0658 23.9346 23.9363 26.4208 26.4470 26.8456 26.9326 27.6081 27.6427 k = 0.3333 0.5774 0.3035 ( 759 PWs) bands (ev): -33.4175 -33.4175 -11.5106 -11.4114 -9.5707 -9.4720 -9.4056 -9.3695 6.0181 6.1059 13.9199 13.9941 15.5063 15.5984 16.9433 16.9455 21.0648 21.0847 24.0604 24.0622 26.4290 26.4367 26.9859 27.0704 27.6090 27.6601 k = 0.3333 0.5774 0.3127 ( 759 PWs) bands (ev): -33.4108 -33.4108 -11.5172 -11.4213 -9.5582 -9.5011 -9.4337 -9.3600 5.9941 6.0768 13.8413 13.9111 15.4620 15.5574 17.0398 17.0420 21.0858 21.1046 24.1888 24.1907 26.4159 26.4246 27.1252 27.2063 27.6220 27.6873 k = 0.3333 0.5774 0.3219 ( 753 PWs) bands (ev): -33.4040 -33.4040 -11.5242 -11.4317 -9.5458 -9.5290 -9.4607 -9.3507 5.9701 6.0478 13.7645 13.8299 15.4194 15.5182 17.1345 17.1368 21.1076 21.1252 24.3194 24.3215 26.3865 26.4093 27.2632 27.3394 27.6466 27.7222 k = 0.3333 0.5774 0.3311 ( 747 PWs) bands (ev): -33.3972 -33.3972 -11.5318 -11.4425 -9.5557 -9.5335 -9.4865 -9.3414 5.9462 6.0190 13.6896 13.7509 15.3786 15.4809 17.2272 17.2295 21.1299 21.1466 24.4518 24.4542 26.3503 26.3847 27.3997 27.4674 27.6831 27.7631 k = 0.3333 0.5774 0.3403 ( 747 PWs) bands (ev): -33.3908 -33.3908 -11.5398 -11.4537 -9.5812 -9.5214 -9.5111 -9.3323 5.9226 5.9905 13.6167 13.6740 15.3397 15.4453 17.3177 17.3200 21.1527 21.1685 24.5855 24.5883 26.3092 26.3527 27.5346 27.5845 27.7352 27.8082 k = 0.3333 0.5774 0.3495 ( 747 PWs) bands (ev): -33.3845 -33.3845 -11.5482 -11.4652 -9.6054 -9.5345 -9.5095 -9.3233 5.8993 5.9623 13.5461 13.5995 15.3026 15.4116 17.4057 17.4080 21.1758 21.1907 24.7201 24.7234 26.2646 26.3151 27.6678 27.6783 27.8133 27.8561 k = 0.3333 0.5774 0.3587 ( 747 PWs) bands (ev): -33.3783 -33.3783 -11.5570 -11.4770 -9.6283 -9.5566 -9.4979 -9.3145 5.8763 5.9347 13.4777 13.5275 15.2674 15.3797 17.4910 17.4934 21.1990 21.2132 24.8549 24.8589 26.2180 26.2737 27.7460 27.7989 27.9054 27.9184 k = 0.3333 0.5774 0.3679 ( 750 PWs) bands (ev): -33.3725 -33.3725 -11.5661 -11.4890 -9.6498 -9.5775 -9.4865 -9.3060 5.8539 5.9076 13.4118 13.4580 15.2341 15.3495 17.5736 17.5759 21.2222 21.2357 24.9893 24.9944 26.1705 26.2297 27.8013 27.9278 27.9554 28.0354 k = 0.3333 0.5774 0.3771 ( 756 PWs) bands (ev): -33.3669 -33.3669 -11.5755 -11.5012 -9.6700 -9.5970 -9.4754 -9.2977 5.8319 5.8811 13.3484 13.3913 15.2026 15.3212 17.6531 17.6554 21.2453 21.2582 25.1226 25.1292 26.1229 26.1842 27.8521 28.0050 28.0543 28.1551 k = 0.3333 0.5774 0.3863 ( 756 PWs) bands (ev): -33.3612 -33.3612 -11.5850 -11.5133 -9.6889 -9.6153 -9.4647 -9.2896 5.8106 5.8554 13.2877 13.3274 15.1729 15.2946 17.7294 17.7317 21.2683 21.2806 25.2540 25.2628 26.0764 26.1383 27.9007 28.0540 28.1782 28.2743 k = 0.3333 0.5774 0.3955 ( 756 PWs) bands (ev): -33.3558 -33.3558 -11.5946 -11.5255 -9.7064 -9.6324 -9.4543 -9.2819 5.7899 5.8306 13.2298 13.2664 15.1451 15.2697 17.8024 17.8047 21.2908 21.3026 25.3822 25.3944 26.0318 26.0924 27.9476 28.1017 28.2991 28.3914 k = 0.3333 0.5774 0.4047 ( 756 PWs) bands (ev): -33.3506 -33.3506 -11.6042 -11.5375 -9.7227 -9.6482 -9.4443 -9.2744 5.7700 5.8066 13.1746 13.2084 15.1191 15.2465 17.8720 17.8742 21.3129 21.3242 25.5052 25.5234 25.9910 26.0473 27.9927 28.1478 28.4168 28.5056 k = 0.3333 0.5774 0.4139 ( 756 PWs) bands (ev): -33.3456 -33.3456 -11.6138 -11.5493 -9.7377 -9.6628 -9.4348 -9.2673 5.7509 5.7837 13.1225 13.1535 15.0948 15.2250 17.9379 17.9401 21.3344 21.3453 25.6191 25.6491 25.9575 26.0034 28.0359 28.1919 28.5309 28.6165 k = 0.3333 0.5774 0.4231 ( 753 PWs) bands (ev): -33.3407 -33.3407 -11.6232 -11.5608 -9.7514 -9.6763 -9.4257 -9.2605 5.7327 5.7618 13.0733 13.1017 15.0723 15.2051 18.0002 18.0023 21.3551 21.3657 25.7125 25.7707 25.9424 25.9611 28.0770 28.2338 28.6411 28.7234 k = 0.3333 0.5774 0.4323 ( 750 PWs) bands (ev): -33.3361 -33.3361 -11.6324 -11.5719 -9.7640 -9.6886 -9.4171 -9.2541 5.7154 5.7411 13.0272 13.0533 15.0515 15.1867 18.0586 18.0607 21.3750 21.3852 25.7594 25.8876 25.9207 25.9712 28.1159 28.2734 28.7469 28.8260 k = 0.3333 0.5774 0.4415 ( 744 PWs) bands (ev): -33.3316 -33.3316 -11.6413 -11.5826 -9.7754 -9.6997 -9.4090 -9.2480 5.6992 5.7216 12.9843 13.0081 15.0325 15.1699 18.1130 18.1152 21.3939 21.4039 25.7569 25.8825 25.9989 26.0462 28.1523 28.3105 28.8481 28.9238 k = 0.3333 0.5774 0.4507 ( 744 PWs) bands (ev): -33.3277 -33.3277 -11.6498 -11.5928 -9.7857 -9.7099 -9.4015 -9.2424 5.6840 5.7034 12.9445 12.9663 15.0150 15.1546 18.1635 18.1656 21.4118 21.4214 25.7350 25.8466 26.1040 26.1369 28.1862 28.3449 28.9440 29.0164 k = 0.3333 0.5774 0.4599 ( 744 PWs) bands (ev): -33.3241 -33.3241 -11.6579 -11.6023 -9.7950 -9.7190 -9.3946 -9.2373 5.6699 5.6866 12.9080 12.9280 14.9992 15.1408 18.2099 18.2119 21.4284 21.4379 25.7083 25.8133 26.2023 26.2281 28.2173 28.3766 29.0341 29.1031 k = 0.3333 0.5774 0.4691 ( 744 PWs) bands (ev): -33.3208 -33.3208 -11.6654 -11.6112 -9.8032 -9.7271 -9.3882 -9.2325 5.6570 5.6712 12.8749 12.8931 14.9850 15.1284 18.2520 18.2540 21.4438 21.4531 25.6814 25.7828 26.2931 26.3149 28.2458 28.4054 29.1181 29.1837 k = 0.3333 0.5774 0.4783 ( 744 PWs) bands (ev): -33.3178 -33.3178 -11.6723 -11.6194 -9.8104 -9.7343 -9.3825 -9.2283 5.6454 5.6572 12.8451 12.8618 14.9724 15.1174 18.2899 18.2919 21.4578 21.4670 25.6560 25.7551 26.3759 26.3952 28.2714 28.4314 29.1952 29.2575 k = 0.3333 0.5774 0.4875 ( 744 PWs) bands (ev): -33.3152 -33.3152 -11.6786 -11.6267 -9.8167 -9.7405 -9.3773 -9.2245 5.6350 5.6448 12.8187 12.8341 14.9613 15.1078 18.3235 18.3255 21.4704 21.4794 25.6329 25.7304 26.4501 26.4676 28.2941 28.4544 29.2651 29.3240 k = 0.3333 0.5774 0.4967 ( 753 PWs) bands (ev): -33.3133 -33.3133 -11.6842 -11.6332 -9.8221 -9.7459 -9.3729 -9.2212 5.6259 5.6339 12.7958 12.8100 14.9518 15.0995 18.3528 18.3547 21.4814 21.4903 25.6123 25.7087 26.5152 26.5316 28.3138 28.4743 29.3270 29.3828 k = 0.3333 0.5774 0.5059 ( 753 PWs) bands (ev): -33.3113 -33.3113 -11.6890 -11.6388 -9.8266 -9.7503 -9.3691 -9.2183 5.6182 5.6247 12.7763 12.7895 14.9437 15.0926 18.3776 18.3795 21.4909 21.4997 25.5946 25.6903 26.5710 26.5864 28.3306 28.4913 29.3805 29.4335 k = 0.3333 0.5774 0.5151 ( 747 PWs) bands (ev): -33.3094 -33.3094 -11.6930 -11.6434 -9.8302 -9.7539 -9.3659 -9.2160 5.6118 5.6170 12.7604 12.7728 14.9372 15.0869 18.3980 18.3999 21.4988 21.5075 25.5801 25.6752 26.6171 26.6319 28.3444 28.5053 29.4251 29.4757 k = 0.3333 0.5774 0.5243 ( 747 PWs) bands (ev): -33.3082 -33.3082 -11.6961 -11.6470 -9.8330 -9.7567 -9.3635 -9.2142 5.6069 5.6111 12.7479 12.7597 14.9321 15.0826 18.4138 18.4157 21.5049 21.5136 25.5687 25.6634 26.6531 26.6675 28.3552 28.5162 29.4603 29.5088 k = 0.3333 0.5774 0.5335 ( 747 PWs) bands (ev): -33.3073 -33.3073 -11.6984 -11.6496 -9.8350 -9.7587 -9.3617 -9.2129 5.6033 5.6068 12.7390 12.7504 14.9285 15.0794 18.4252 18.4271 21.5093 21.5179 25.5605 25.6550 26.6790 26.6931 28.3628 28.5239 29.4858 29.5327 k = 0.3333 0.5774 0.5427 ( 744 PWs) bands (ev): -33.3066 -33.3066 -11.6997 -11.6512 -9.8361 -9.7599 -9.3607 -9.2121 5.6011 5.6042 12.7337 12.7447 14.9263 15.0776 18.4320 18.4339 21.5120 21.5206 25.5555 25.6499 26.6948 26.7086 28.3675 28.5286 29.5011 29.5472 k = 0.3333 0.5774 0.5519 ( 750 PWs) bands (ev): -33.3067 -33.3067 -11.7002 -11.6517 -9.8365 -9.7603 -9.3603 -9.2118 5.6004 5.6034 12.7319 12.7429 14.9256 15.0769 18.4343 18.4362 21.5129 21.5215 25.5538 25.6481 26.6999 26.7137 28.3690 28.5301 29.5062 29.5520 Writing output data file NbN.save init_run : 3.05s CPU 11.68s WALL ( 1 calls) electrons : 134.49s CPU 138.94s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.10s WALL ( 1 calls) potinit : 0.33s CPU 1.34s WALL ( 1 calls) Called by electrons: c_bands : 134.47s CPU 138.66s WALL ( 1 calls) v_of_rho : 0.12s CPU 0.74s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.11s CPU 0.42s WALL ( 1 calls) newd : 0.28s CPU 0.51s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.03s WALL ( 531 calls) cegterg : 91.82s CPU 92.52s WALL ( 549 calls) Called by sum_band: Called by *egterg: h_psi : 47.65s CPU 50.96s WALL ( 7908 calls) s_psi : 2.65s CPU 3.54s WALL ( 7908 calls) g_psi : 0.02s CPU 0.07s WALL ( 6828 calls) cdiaghg : 32.35s CPU 31.61s WALL ( 7359 calls) cegterg:over : 9.11s CPU 7.23s WALL ( 6828 calls) cegterg:upda : 0.14s CPU 0.67s WALL ( 6828 calls) cegterg:last : 0.14s CPU 0.52s WALL ( 1682 calls) Called by h_psi: h_psi:vloc : 40.07s CPU 43.85s WALL ( 7908 calls) h_psi:vnl : 7.57s CPU 7.03s WALL ( 7908 calls) add_vuspsi : 0.81s CPU 2.30s WALL ( 7908 calls) General routines calbec : 6.74s CPU 4.62s WALL ( 7908 calls) fft : 0.39s CPU 1.31s WALL ( 19 calls) ffts : 0.00s CPU 0.07s WALL ( 4 calls) fftw : 38.87s CPU 42.15s WALL ( 595476 calls) interpolate : 0.09s CPU 0.16s WALL ( 4 calls) davcio : 0.02s CPU 1.59s WALL ( 1062 calls) Parallel routines fft_scatter : 28.37s CPU 30.85s WALL ( 595499 calls) PWSCF : 2m50.98s CPU 17m 2.89s WALL This run was terminated on: 17:48:23 30Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=