Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 16:37:48 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Ag2O.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 20 12 3 742 316 53 Max 21 13 4 753 336 62 Sum 745 433 139 26933 11849 2045 bravais-lattice index = 14 lattice parameter (alat) = 5.8052 a.u. unit-cell volume = 272.5112 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 2 number of electrons = 28.00 number of Kohn-Sham states= 36 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.805238 celldm(2)= 1.000000 celldm(3)= 1.608398 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 1.608398 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 0.621736 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ag read from file: /users/gautes/Pseudo/Ag.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 30ab375624a706b88a092e30a79375fd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1237 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Ag 11.00 107.86820 Ag( 1.00) 12 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] 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 [0,1,0] cryst. s( 5) = ( -1 -1 0 ) ( 0 1 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 [1,1,0] cryst. s( 6) = ( 0 1 0 ) ( 1 0 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 inversion 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. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 0 -1 0 ) ( 1 1 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. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 1 1 0 ) ( -1 0 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_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 433 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023095 k( 2) = ( 0.0083333 0.0048113 -0.0000000), wk = 0.0023095 k( 3) = ( 0.0166667 0.0096225 -0.0000000), wk = 0.0023095 k( 4) = ( 0.0250000 0.0144338 -0.0000000), wk = 0.0023095 k( 5) = ( 0.0333333 0.0192450 -0.0000000), wk = 0.0023095 k( 6) = ( 0.0416667 0.0240563 -0.0000000), wk = 0.0023095 k( 7) = ( 0.0500000 0.0288675 -0.0000000), wk = 0.0023095 k( 8) = ( 0.0583333 0.0336788 -0.0000000), wk = 0.0023095 k( 9) = ( 0.0666667 0.0384900 -0.0000000), wk = 0.0023095 k( 10) = ( 0.0750000 0.0433013 -0.0000000), wk = 0.0023095 k( 11) = ( 0.0833333 0.0481125 -0.0000000), wk = 0.0023095 k( 12) = ( 0.0916667 0.0529238 -0.0000000), wk = 0.0023095 k( 13) = ( 0.1000000 0.0577350 -0.0000000), wk = 0.0023095 k( 14) = ( 0.1083333 0.0625463 -0.0000000), wk = 0.0023095 k( 15) = ( 0.1166667 0.0673575 -0.0000000), wk = 0.0023095 k( 16) = ( 0.1250000 0.0721688 -0.0000000), wk = 0.0023095 k( 17) = ( 0.1333333 0.0769800 -0.0000000), wk = 0.0023095 k( 18) = ( 0.1416667 0.0817913 -0.0000000), wk = 0.0023095 k( 19) = ( 0.1500000 0.0866025 -0.0000000), wk = 0.0023095 k( 20) = ( 0.1583333 0.0914138 -0.0000000), wk = 0.0023095 k( 21) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0023095 k( 22) = ( 0.1750000 0.1010363 -0.0000000), wk = 0.0023095 k( 23) = ( 0.1833333 0.1058475 -0.0000000), wk = 0.0023095 k( 24) = ( 0.1916667 0.1106588 -0.0000000), wk = 0.0023095 k( 25) = ( 0.2000000 0.1154701 -0.0000000), wk = 0.0023095 k( 26) = ( 0.2083333 0.1202813 -0.0000000), wk = 0.0023095 k( 27) = ( 0.2166667 0.1250926 -0.0000000), wk = 0.0023095 k( 28) = ( 0.2250000 0.1299038 -0.0000000), wk = 0.0023095 k( 29) = ( 0.2333333 0.1347151 -0.0000000), wk = 0.0023095 k( 30) = ( 0.2416667 0.1395263 -0.0000000), wk = 0.0023095 k( 31) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0023095 k( 32) = ( 0.2583333 0.1491488 -0.0000000), wk = 0.0023095 k( 33) = ( 0.2666667 0.1539601 -0.0000000), wk = 0.0023095 k( 34) = ( 0.2750000 0.1587713 -0.0000000), wk = 0.0023095 k( 35) = ( 0.2833333 0.1635826 -0.0000000), wk = 0.0023095 k( 36) = ( 0.2916667 0.1683938 -0.0000000), wk = 0.0023095 k( 37) = ( 0.3000000 0.1732051 -0.0000000), wk = 0.0023095 k( 38) = ( 0.3083333 0.1780163 -0.0000000), wk = 0.0023095 k( 39) = ( 0.3166667 0.1828276 -0.0000000), wk = 0.0023095 k( 40) = ( 0.3250000 0.1876388 -0.0000000), wk = 0.0023095 k( 41) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0023095 k( 42) = ( 0.3416667 0.1972613 -0.0000000), wk = 0.0023095 k( 43) = ( 0.3500000 0.2020726 -0.0000000), wk = 0.0023095 k( 44) = ( 0.3583333 0.2068838 -0.0000000), wk = 0.0023095 k( 45) = ( 0.3666667 0.2116951 -0.0000000), wk = 0.0023095 k( 46) = ( 0.3750000 0.2165064 -0.0000000), wk = 0.0023095 k( 47) = ( 0.3833333 0.2213176 -0.0000000), wk = 0.0023095 k( 48) = ( 0.3916667 0.2261289 -0.0000000), wk = 0.0023095 k( 49) = ( 0.4000000 0.2309401 -0.0000000), wk = 0.0023095 k( 50) = ( 0.4083333 0.2357514 -0.0000000), wk = 0.0023095 k( 51) = ( 0.4166667 0.2405626 -0.0000000), wk = 0.0023095 k( 52) = ( 0.4250000 0.2453739 -0.0000000), wk = 0.0023095 k( 53) = ( 0.4333333 0.2501851 -0.0000000), wk = 0.0023095 k( 54) = ( 0.4416667 0.2549964 -0.0000000), wk = 0.0023095 k( 55) = ( 0.4500000 0.2598076 -0.0000000), wk = 0.0023095 k( 56) = ( 0.4583333 0.2646189 -0.0000000), wk = 0.0023095 k( 57) = ( 0.4666667 0.2694301 -0.0000000), wk = 0.0023095 k( 58) = ( 0.4750000 0.2742414 -0.0000000), wk = 0.0023095 k( 59) = ( 0.4833333 0.2790526 -0.0000000), wk = 0.0023095 k( 60) = ( 0.4916667 0.2838639 -0.0000000), wk = 0.0023095 k( 61) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0023095 k( 62) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0023095 k( 63) = ( 0.4952381 0.2969230 -0.0000000), wk = 0.0023095 k( 64) = ( 0.4904762 0.3051709 -0.0000000), wk = 0.0023095 k( 65) = ( 0.4857143 0.3134187 -0.0000000), wk = 0.0023095 k( 66) = ( 0.4809524 0.3216666 -0.0000000), wk = 0.0023095 k( 67) = ( 0.4761905 0.3299144 -0.0000000), wk = 0.0023095 k( 68) = ( 0.4714286 0.3381623 -0.0000000), wk = 0.0023095 k( 69) = ( 0.4666667 0.3464102 -0.0000000), wk = 0.0023095 k( 70) = ( 0.4619048 0.3546580 -0.0000000), wk = 0.0023095 k( 71) = ( 0.4571429 0.3629059 -0.0000000), wk = 0.0023095 k( 72) = ( 0.4523810 0.3711537 -0.0000000), wk = 0.0023095 k( 73) = ( 0.4476191 0.3794016 -0.0000000), wk = 0.0023095 k( 74) = ( 0.4428571 0.3876495 -0.0000000), wk = 0.0023095 k( 75) = ( 0.4380952 0.3958973 -0.0000000), wk = 0.0023095 k( 76) = ( 0.4333333 0.4041452 -0.0000000), wk = 0.0023095 k( 77) = ( 0.4285714 0.4123930 -0.0000000), wk = 0.0023095 k( 78) = ( 0.4238095 0.4206409 -0.0000000), wk = 0.0023095 k( 79) = ( 0.4190476 0.4288888 -0.0000000), wk = 0.0023095 k( 80) = ( 0.4142857 0.4371366 -0.0000000), wk = 0.0023095 k( 81) = ( 0.4095238 0.4453845 -0.0000000), wk = 0.0023095 k( 82) = ( 0.4047619 0.4536324 -0.0000000), wk = 0.0023095 k( 83) = ( 0.4000000 0.4618802 -0.0000000), wk = 0.0023095 k( 84) = ( 0.3952381 0.4701281 -0.0000000), wk = 0.0023095 k( 85) = ( 0.3904762 0.4783759 -0.0000000), wk = 0.0023095 k( 86) = ( 0.3857143 0.4866238 -0.0000000), wk = 0.0023095 k( 87) = ( 0.3809524 0.4948717 -0.0000000), wk = 0.0023095 k( 88) = ( 0.3761905 0.5031195 -0.0000000), wk = 0.0023095 k( 89) = ( 0.3714286 0.5113674 -0.0000000), wk = 0.0023095 k( 90) = ( 0.3666667 0.5196152 -0.0000000), wk = 0.0023095 k( 91) = ( 0.3619048 0.5278631 -0.0000000), wk = 0.0023095 k( 92) = ( 0.3571429 0.5361110 -0.0000000), wk = 0.0023095 k( 93) = ( 0.3523810 0.5443588 -0.0000000), wk = 0.0023095 k( 94) = ( 0.3476190 0.5526067 -0.0000000), wk = 0.0023095 k( 95) = ( 0.3428571 0.5608545 -0.0000000), wk = 0.0023095 k( 96) = ( 0.3380952 0.5691024 -0.0000000), wk = 0.0023095 k( 97) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0023095 k( 98) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0023095 k( 99) = ( 0.3285024 0.5689829 -0.0000000), wk = 0.0023095 k( 100) = ( 0.3236715 0.5606155 -0.0000000), wk = 0.0023095 k( 101) = ( 0.3188406 0.5522481 -0.0000000), wk = 0.0023095 k( 102) = ( 0.3140097 0.5438807 -0.0000000), wk = 0.0023095 k( 103) = ( 0.3091787 0.5355133 -0.0000000), wk = 0.0023095 k( 104) = ( 0.3043478 0.5271459 -0.0000000), wk = 0.0023095 k( 105) = ( 0.2995169 0.5187785 -0.0000000), wk = 0.0023095 k( 106) = ( 0.2946860 0.5104111 -0.0000000), wk = 0.0023095 k( 107) = ( 0.2898551 0.5020437 -0.0000000), wk = 0.0023095 k( 108) = ( 0.2850241 0.4936763 -0.0000000), wk = 0.0023095 k( 109) = ( 0.2801932 0.4853089 -0.0000000), wk = 0.0023095 k( 110) = ( 0.2753623 0.4769415 -0.0000000), wk = 0.0023095 k( 111) = ( 0.2705314 0.4685741 -0.0000000), wk = 0.0023095 k( 112) = ( 0.2657005 0.4602067 -0.0000000), wk = 0.0023095 k( 113) = ( 0.2608696 0.4518393 -0.0000000), wk = 0.0023095 k( 114) = ( 0.2560386 0.4434720 -0.0000000), wk = 0.0023095 k( 115) = ( 0.2512077 0.4351046 -0.0000000), wk = 0.0023095 k( 116) = ( 0.2463768 0.4267372 -0.0000000), wk = 0.0023095 k( 117) = ( 0.2415459 0.4183698 -0.0000000), wk = 0.0023095 k( 118) = ( 0.2367150 0.4100024 -0.0000000), wk = 0.0023095 k( 119) = ( 0.2318841 0.4016350 -0.0000000), wk = 0.0023095 k( 120) = ( 0.2270531 0.3932676 -0.0000000), wk = 0.0023095 k( 121) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0023095 k( 122) = ( 0.2173913 0.3765328 -0.0000000), wk = 0.0023095 k( 123) = ( 0.2125604 0.3681654 -0.0000000), wk = 0.0023095 k( 124) = ( 0.2077295 0.3597980 -0.0000000), wk = 0.0023095 k( 125) = ( 0.2028986 0.3514306 -0.0000000), wk = 0.0023095 k( 126) = ( 0.1980676 0.3430632 -0.0000000), wk = 0.0023095 k( 127) = ( 0.1932367 0.3346958 -0.0000000), wk = 0.0023095 k( 128) = ( 0.1884058 0.3263284 -0.0000000), wk = 0.0023095 k( 129) = ( 0.1835749 0.3179610 -0.0000000), wk = 0.0023095 k( 130) = ( 0.1787440 0.3095936 -0.0000000), wk = 0.0023095 k( 131) = ( 0.1739130 0.3012262 -0.0000000), wk = 0.0023095 k( 132) = ( 0.1690821 0.2928588 -0.0000000), wk = 0.0023095 k( 133) = ( 0.1642512 0.2844914 -0.0000000), wk = 0.0023095 k( 134) = ( 0.1594203 0.2761240 -0.0000000), wk = 0.0023095 k( 135) = ( 0.1545894 0.2677566 -0.0000000), wk = 0.0023095 k( 136) = ( 0.1497584 0.2593892 -0.0000000), wk = 0.0023095 k( 137) = ( 0.1449275 0.2510219 -0.0000000), wk = 0.0023095 k( 138) = ( 0.1400966 0.2426545 -0.0000000), wk = 0.0023095 k( 139) = ( 0.1352657 0.2342871 -0.0000000), wk = 0.0023095 k( 140) = ( 0.1304348 0.2259197 -0.0000000), wk = 0.0023095 k( 141) = ( 0.1256039 0.2175523 -0.0000000), wk = 0.0023095 k( 142) = ( 0.1207730 0.2091849 -0.0000000), wk = 0.0023095 k( 143) = ( 0.1159420 0.2008175 -0.0000000), wk = 0.0023095 k( 144) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0023095 k( 145) = ( 0.1062802 0.1840827 -0.0000000), wk = 0.0023095 k( 146) = ( 0.1014493 0.1757153 -0.0000000), wk = 0.0023095 k( 147) = ( 0.0966184 0.1673479 -0.0000000), wk = 0.0023095 k( 148) = ( 0.0917874 0.1589805 -0.0000000), wk = 0.0023095 k( 149) = ( 0.0869565 0.1506131 -0.0000000), wk = 0.0023095 k( 150) = ( 0.0821256 0.1422457 -0.0000000), wk = 0.0023095 k( 151) = ( 0.0772947 0.1338783 -0.0000000), wk = 0.0023095 k( 152) = ( 0.0724638 0.1255109 -0.0000000), wk = 0.0023095 k( 153) = ( 0.0676328 0.1171435 -0.0000000), wk = 0.0023095 k( 154) = ( 0.0628019 0.1087761 -0.0000000), wk = 0.0023095 k( 155) = ( 0.0579710 0.1004087 -0.0000000), wk = 0.0023095 k( 156) = ( 0.0531401 0.0920414 -0.0000000), wk = 0.0023095 k( 157) = ( 0.0483092 0.0836740 -0.0000000), wk = 0.0023095 k( 158) = ( 0.0434783 0.0753066 -0.0000000), wk = 0.0023095 k( 159) = ( 0.0386473 0.0669392 -0.0000000), wk = 0.0023095 k( 160) = ( 0.0338164 0.0585718 -0.0000000), wk = 0.0023095 k( 161) = ( 0.0289855 0.0502044 -0.0000000), wk = 0.0023095 k( 162) = ( 0.0241546 0.0418370 -0.0000000), wk = 0.0023095 k( 163) = ( 0.0193237 0.0334696 -0.0000000), wk = 0.0023095 k( 164) = ( 0.0144928 0.0251022 -0.0000000), wk = 0.0023095 k( 165) = ( 0.0096618 0.0167348 -0.0000000), wk = 0.0023095 k( 166) = ( 0.0048309 0.0083674 -0.0000000), wk = 0.0023095 k( 167) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023095 k( 168) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023095 k( 169) = ( 0.0000000 0.0000000 0.0097146), wk = 0.0023095 k( 170) = ( 0.0000000 0.0000000 0.0194293), wk = 0.0023095 k( 171) = ( 0.0000000 0.0000000 0.0291439), wk = 0.0023095 k( 172) = ( 0.0000000 0.0000000 0.0388585), wk = 0.0023095 k( 173) = ( 0.0000000 0.0000000 0.0485732), wk = 0.0023095 k( 174) = ( 0.0000000 0.0000000 0.0582878), wk = 0.0023095 k( 175) = ( 0.0000000 0.0000000 0.0680024), wk = 0.0023095 k( 176) = ( 0.0000000 0.0000000 0.0777171), wk = 0.0023095 k( 177) = ( 0.0000000 0.0000000 0.0874317), wk = 0.0023095 k( 178) = ( 0.0000000 0.0000000 0.0971463), wk = 0.0023095 k( 179) = ( 0.0000000 0.0000000 0.1068610), wk = 0.0023095 k( 180) = ( 0.0000000 0.0000000 0.1165756), wk = 0.0023095 k( 181) = ( 0.0000000 0.0000000 0.1262902), wk = 0.0023095 k( 182) = ( 0.0000000 0.0000000 0.1360049), wk = 0.0023095 k( 183) = ( 0.0000000 0.0000000 0.1457195), wk = 0.0023095 k( 184) = ( 0.0000000 0.0000000 0.1554341), wk = 0.0023095 k( 185) = ( 0.0000000 0.0000000 0.1651488), wk = 0.0023095 k( 186) = ( 0.0000000 0.0000000 0.1748634), wk = 0.0023095 k( 187) = ( 0.0000000 0.0000000 0.1845780), wk = 0.0023095 k( 188) = ( 0.0000000 0.0000000 0.1942927), wk = 0.0023095 k( 189) = ( 0.0000000 0.0000000 0.2040073), wk = 0.0023095 k( 190) = ( 0.0000000 0.0000000 0.2137219), wk = 0.0023095 k( 191) = ( 0.0000000 0.0000000 0.2234366), wk = 0.0023095 k( 192) = ( 0.0000000 0.0000000 0.2331512), wk = 0.0023095 k( 193) = ( 0.0000000 0.0000000 0.2428658), wk = 0.0023095 k( 194) = ( 0.0000000 0.0000000 0.2525804), wk = 0.0023095 k( 195) = ( 0.0000000 0.0000000 0.2622951), wk = 0.0023095 k( 196) = ( 0.0000000 0.0000000 0.2720097), wk = 0.0023095 k( 197) = ( 0.0000000 0.0000000 0.2817243), wk = 0.0023095 k( 198) = ( 0.0000000 0.0000000 0.2914390), wk = 0.0023095 k( 199) = ( 0.0000000 0.0000000 0.3011536), wk = 0.0023095 k( 200) = ( 0.0000000 0.0000000 0.3108682), wk = 0.0023095 k( 201) = ( 0.0000000 0.0000000 0.3108682), wk = 0.0023095 k( 202) = ( 0.0083333 0.0048113 0.3108682), wk = 0.0023095 k( 203) = ( 0.0166667 0.0096225 0.3108682), wk = 0.0023095 k( 204) = ( 0.0250000 0.0144338 0.3108682), wk = 0.0023095 k( 205) = ( 0.0333333 0.0192450 0.3108682), wk = 0.0023095 k( 206) = ( 0.0416667 0.0240563 0.3108682), wk = 0.0023095 k( 207) = ( 0.0500000 0.0288675 0.3108682), wk = 0.0023095 k( 208) = ( 0.0583333 0.0336788 0.3108682), wk = 0.0023095 k( 209) = ( 0.0666667 0.0384900 0.3108682), wk = 0.0023095 k( 210) = ( 0.0750000 0.0433013 0.3108682), wk = 0.0023095 k( 211) = ( 0.0833333 0.0481125 0.3108682), wk = 0.0023095 k( 212) = ( 0.0916667 0.0529238 0.3108682), wk = 0.0023095 k( 213) = ( 0.1000000 0.0577350 0.3108682), wk = 0.0023095 k( 214) = ( 0.1083333 0.0625463 0.3108682), wk = 0.0023095 k( 215) = ( 0.1166667 0.0673575 0.3108682), wk = 0.0023095 k( 216) = ( 0.1250000 0.0721688 0.3108682), wk = 0.0023095 k( 217) = ( 0.1333333 0.0769800 0.3108682), wk = 0.0023095 k( 218) = ( 0.1416667 0.0817913 0.3108682), wk = 0.0023095 k( 219) = ( 0.1500000 0.0866025 0.3108682), wk = 0.0023095 k( 220) = ( 0.1583333 0.0914138 0.3108682), wk = 0.0023095 k( 221) = ( 0.1666667 0.0962250 0.3108682), wk = 0.0023095 k( 222) = ( 0.1750000 0.1010363 0.3108682), wk = 0.0023095 k( 223) = ( 0.1833333 0.1058475 0.3108682), wk = 0.0023095 k( 224) = ( 0.1916667 0.1106588 0.3108682), wk = 0.0023095 k( 225) = ( 0.2000000 0.1154701 0.3108682), wk = 0.0023095 k( 226) = ( 0.2083333 0.1202813 0.3108682), wk = 0.0023095 k( 227) = ( 0.2166667 0.1250926 0.3108682), wk = 0.0023095 k( 228) = ( 0.2250000 0.1299038 0.3108682), wk = 0.0023095 k( 229) = ( 0.2333333 0.1347151 0.3108682), wk = 0.0023095 k( 230) = ( 0.2416667 0.1395263 0.3108682), wk = 0.0023095 k( 231) = ( 0.2500000 0.1443376 0.3108682), wk = 0.0023095 k( 232) = ( 0.2583333 0.1491488 0.3108682), wk = 0.0023095 k( 233) = ( 0.2666667 0.1539601 0.3108682), wk = 0.0023095 k( 234) = ( 0.2750000 0.1587713 0.3108682), wk = 0.0023095 k( 235) = ( 0.2833333 0.1635826 0.3108682), wk = 0.0023095 k( 236) = ( 0.2916667 0.1683938 0.3108682), wk = 0.0023095 k( 237) = ( 0.3000000 0.1732051 0.3108682), wk = 0.0023095 k( 238) = ( 0.3083333 0.1780163 0.3108682), wk = 0.0023095 k( 239) = ( 0.3166667 0.1828276 0.3108682), wk = 0.0023095 k( 240) = ( 0.3250000 0.1876388 0.3108682), wk = 0.0023095 k( 241) = ( 0.3333333 0.1924501 0.3108682), wk = 0.0023095 k( 242) = ( 0.3416667 0.1972613 0.3108682), wk = 0.0023095 k( 243) = ( 0.3500000 0.2020726 0.3108682), wk = 0.0023095 k( 244) = ( 0.3583333 0.2068838 0.3108682), wk = 0.0023095 k( 245) = ( 0.3666667 0.2116951 0.3108682), wk = 0.0023095 k( 246) = ( 0.3750000 0.2165064 0.3108682), wk = 0.0023095 k( 247) = ( 0.3833333 0.2213176 0.3108682), wk = 0.0023095 k( 248) = ( 0.3916667 0.2261289 0.3108682), wk = 0.0023095 k( 249) = ( 0.4000000 0.2309401 0.3108682), wk = 0.0023095 k( 250) = ( 0.4083333 0.2357514 0.3108682), wk = 0.0023095 k( 251) = ( 0.4166667 0.2405626 0.3108682), wk = 0.0023095 k( 252) = ( 0.4250000 0.2453739 0.3108682), wk = 0.0023095 k( 253) = ( 0.4333333 0.2501851 0.3108682), wk = 0.0023095 k( 254) = ( 0.4416667 0.2549964 0.3108682), wk = 0.0023095 k( 255) = ( 0.4500000 0.2598076 0.3108682), wk = 0.0023095 k( 256) = ( 0.4583333 0.2646189 0.3108682), wk = 0.0023095 k( 257) = ( 0.4666667 0.2694301 0.3108682), wk = 0.0023095 k( 258) = ( 0.4750000 0.2742414 0.3108682), wk = 0.0023095 k( 259) = ( 0.4833333 0.2790526 0.3108682), wk = 0.0023095 k( 260) = ( 0.4916667 0.2838639 0.3108682), wk = 0.0023095 k( 261) = ( 0.5000000 0.2886751 0.3108682), wk = 0.0023095 k( 262) = ( 0.5000000 0.2886751 0.3108682), wk = 0.0023095 k( 263) = ( 0.4952381 0.2969230 0.3108682), wk = 0.0023095 k( 264) = ( 0.4904762 0.3051709 0.3108682), wk = 0.0023095 k( 265) = ( 0.4857143 0.3134187 0.3108682), wk = 0.0023095 k( 266) = ( 0.4809524 0.3216666 0.3108682), wk = 0.0023095 k( 267) = ( 0.4761905 0.3299144 0.3108682), wk = 0.0023095 k( 268) = ( 0.4714286 0.3381623 0.3108682), wk = 0.0023095 k( 269) = ( 0.4666667 0.3464102 0.3108682), wk = 0.0023095 k( 270) = ( 0.4619048 0.3546580 0.3108682), wk = 0.0023095 k( 271) = ( 0.4571429 0.3629059 0.3108682), wk = 0.0023095 k( 272) = ( 0.4523810 0.3711537 0.3108682), wk = 0.0023095 k( 273) = ( 0.4476191 0.3794016 0.3108682), wk = 0.0023095 k( 274) = ( 0.4428571 0.3876495 0.3108682), wk = 0.0023095 k( 275) = ( 0.4380952 0.3958973 0.3108682), wk = 0.0023095 k( 276) = ( 0.4333333 0.4041452 0.3108682), wk = 0.0023095 k( 277) = ( 0.4285714 0.4123930 0.3108682), wk = 0.0023095 k( 278) = ( 0.4238095 0.4206409 0.3108682), wk = 0.0023095 k( 279) = ( 0.4190476 0.4288888 0.3108682), wk = 0.0023095 k( 280) = ( 0.4142857 0.4371366 0.3108682), wk = 0.0023095 k( 281) = ( 0.4095238 0.4453845 0.3108682), wk = 0.0023095 k( 282) = ( 0.4047619 0.4536324 0.3108682), wk = 0.0023095 k( 283) = ( 0.4000000 0.4618802 0.3108682), wk = 0.0023095 k( 284) = ( 0.3952381 0.4701281 0.3108682), wk = 0.0023095 k( 285) = ( 0.3904762 0.4783759 0.3108682), wk = 0.0023095 k( 286) = ( 0.3857143 0.4866238 0.3108682), wk = 0.0023095 k( 287) = ( 0.3809524 0.4948717 0.3108682), wk = 0.0023095 k( 288) = ( 0.3761905 0.5031195 0.3108682), wk = 0.0023095 k( 289) = ( 0.3714286 0.5113674 0.3108682), wk = 0.0023095 k( 290) = ( 0.3666667 0.5196152 0.3108682), wk = 0.0023095 k( 291) = ( 0.3619048 0.5278631 0.3108682), wk = 0.0023095 k( 292) = ( 0.3571429 0.5361110 0.3108682), wk = 0.0023095 k( 293) = ( 0.3523810 0.5443588 0.3108682), wk = 0.0023095 k( 294) = ( 0.3476190 0.5526067 0.3108682), wk = 0.0023095 k( 295) = ( 0.3428571 0.5608545 0.3108682), wk = 0.0023095 k( 296) = ( 0.3380952 0.5691024 0.3108682), wk = 0.0023095 k( 297) = ( 0.3333333 0.5773503 0.3108682), wk = 0.0023095 k( 298) = ( 0.3333333 0.5773503 0.3108682), wk = 0.0023095 k( 299) = ( 0.3285024 0.5689829 0.3108682), wk = 0.0023095 k( 300) = ( 0.3236715 0.5606155 0.3108682), wk = 0.0023095 k( 301) = ( 0.3188406 0.5522481 0.3108682), wk = 0.0023095 k( 302) = ( 0.3140097 0.5438807 0.3108682), wk = 0.0023095 k( 303) = ( 0.3091787 0.5355133 0.3108682), wk = 0.0023095 k( 304) = ( 0.3043478 0.5271459 0.3108682), wk = 0.0023095 k( 305) = ( 0.2995169 0.5187785 0.3108682), wk = 0.0023095 k( 306) = ( 0.2946860 0.5104111 0.3108682), wk = 0.0023095 k( 307) = ( 0.2898551 0.5020437 0.3108682), wk = 0.0023095 k( 308) = ( 0.2850241 0.4936763 0.3108682), wk = 0.0023095 k( 309) = ( 0.2801932 0.4853089 0.3108682), wk = 0.0023095 k( 310) = ( 0.2753623 0.4769415 0.3108682), wk = 0.0023095 k( 311) = ( 0.2705314 0.4685741 0.3108682), wk = 0.0023095 k( 312) = ( 0.2657005 0.4602067 0.3108682), wk = 0.0023095 k( 313) = ( 0.2608696 0.4518393 0.3108682), wk = 0.0023095 k( 314) = ( 0.2560386 0.4434720 0.3108682), wk = 0.0023095 k( 315) = ( 0.2512077 0.4351046 0.3108682), wk = 0.0023095 k( 316) = ( 0.2463768 0.4267372 0.3108682), wk = 0.0023095 k( 317) = ( 0.2415459 0.4183698 0.3108682), wk = 0.0023095 k( 318) = ( 0.2367150 0.4100024 0.3108682), wk = 0.0023095 k( 319) = ( 0.2318841 0.4016350 0.3108682), wk = 0.0023095 k( 320) = ( 0.2270531 0.3932676 0.3108682), wk = 0.0023095 k( 321) = ( 0.2222222 0.3849002 0.3108682), wk = 0.0023095 k( 322) = ( 0.2173913 0.3765328 0.3108682), wk = 0.0023095 k( 323) = ( 0.2125604 0.3681654 0.3108682), wk = 0.0023095 k( 324) = ( 0.2077295 0.3597980 0.3108682), wk = 0.0023095 k( 325) = ( 0.2028986 0.3514306 0.3108682), wk = 0.0023095 k( 326) = ( 0.1980676 0.3430632 0.3108682), wk = 0.0023095 k( 327) = ( 0.1932367 0.3346958 0.3108682), wk = 0.0023095 k( 328) = ( 0.1884058 0.3263284 0.3108682), wk = 0.0023095 k( 329) = ( 0.1835749 0.3179610 0.3108682), wk = 0.0023095 k( 330) = ( 0.1787440 0.3095936 0.3108682), wk = 0.0023095 k( 331) = ( 0.1739130 0.3012262 0.3108682), wk = 0.0023095 k( 332) = ( 0.1690821 0.2928588 0.3108682), wk = 0.0023095 k( 333) = ( 0.1642512 0.2844914 0.3108682), wk = 0.0023095 k( 334) = ( 0.1594203 0.2761240 0.3108682), wk = 0.0023095 k( 335) = ( 0.1545894 0.2677566 0.3108682), wk = 0.0023095 k( 336) = ( 0.1497584 0.2593892 0.3108682), wk = 0.0023095 k( 337) = ( 0.1449275 0.2510219 0.3108682), wk = 0.0023095 k( 338) = ( 0.1400966 0.2426545 0.3108682), wk = 0.0023095 k( 339) = ( 0.1352657 0.2342871 0.3108682), wk = 0.0023095 k( 340) = ( 0.1304348 0.2259197 0.3108682), wk = 0.0023095 k( 341) = ( 0.1256039 0.2175523 0.3108682), wk = 0.0023095 k( 342) = ( 0.1207730 0.2091849 0.3108682), wk = 0.0023095 k( 343) = ( 0.1159420 0.2008175 0.3108682), wk = 0.0023095 k( 344) = ( 0.1111111 0.1924501 0.3108682), wk = 0.0023095 k( 345) = ( 0.1062802 0.1840827 0.3108682), wk = 0.0023095 k( 346) = ( 0.1014493 0.1757153 0.3108682), wk = 0.0023095 k( 347) = ( 0.0966184 0.1673479 0.3108682), wk = 0.0023095 k( 348) = ( 0.0917874 0.1589805 0.3108682), wk = 0.0023095 k( 349) = ( 0.0869565 0.1506131 0.3108682), wk = 0.0023095 k( 350) = ( 0.0821256 0.1422457 0.3108682), wk = 0.0023095 k( 351) = ( 0.0772947 0.1338783 0.3108682), wk = 0.0023095 k( 352) = ( 0.0724638 0.1255109 0.3108682), wk = 0.0023095 k( 353) = ( 0.0676328 0.1171435 0.3108682), wk = 0.0023095 k( 354) = ( 0.0628019 0.1087761 0.3108682), wk = 0.0023095 k( 355) = ( 0.0579710 0.1004087 0.3108682), wk = 0.0023095 k( 356) = ( 0.0531401 0.0920414 0.3108682), wk = 0.0023095 k( 357) = ( 0.0483092 0.0836740 0.3108682), wk = 0.0023095 k( 358) = ( 0.0434783 0.0753066 0.3108682), wk = 0.0023095 k( 359) = ( 0.0386473 0.0669392 0.3108682), wk = 0.0023095 k( 360) = ( 0.0338164 0.0585718 0.3108682), wk = 0.0023095 k( 361) = ( 0.0289855 0.0502044 0.3108682), wk = 0.0023095 k( 362) = ( 0.0241546 0.0418370 0.3108682), wk = 0.0023095 k( 363) = ( 0.0193237 0.0334696 0.3108682), wk = 0.0023095 k( 364) = ( 0.0144928 0.0251022 0.3108682), wk = 0.0023095 k( 365) = ( 0.0096618 0.0167348 0.3108682), wk = 0.0023095 k( 366) = ( 0.0048309 0.0083674 0.3108682), wk = 0.0023095 k( 367) = ( 0.0000000 0.0000000 0.3108682), wk = 0.0023095 k( 368) = ( 0.5000000 0.2886751 0.3108682), wk = 0.0023095 k( 369) = ( 0.5000000 0.2886751 0.3011536), wk = 0.0023095 k( 370) = ( 0.5000000 0.2886751 0.2914390), wk = 0.0023095 k( 371) = ( 0.5000000 0.2886751 0.2817243), wk = 0.0023095 k( 372) = ( 0.5000000 0.2886751 0.2720097), wk = 0.0023095 k( 373) = ( 0.5000000 0.2886751 0.2622951), wk = 0.0023095 k( 374) = ( 0.5000000 0.2886751 0.2525804), wk = 0.0023095 k( 375) = ( 0.5000000 0.2886751 0.2428658), wk = 0.0023095 k( 376) = ( 0.5000000 0.2886751 0.2331512), wk = 0.0023095 k( 377) = ( 0.5000000 0.2886751 0.2234366), wk = 0.0023095 k( 378) = ( 0.5000000 0.2886751 0.2137219), wk = 0.0023095 k( 379) = ( 0.5000000 0.2886751 0.2040073), wk = 0.0023095 k( 380) = ( 0.5000000 0.2886751 0.1942927), wk = 0.0023095 k( 381) = ( 0.5000000 0.2886751 0.1845780), wk = 0.0023095 k( 382) = ( 0.5000000 0.2886751 0.1748634), wk = 0.0023095 k( 383) = ( 0.5000000 0.2886751 0.1651488), wk = 0.0023095 k( 384) = ( 0.5000000 0.2886751 0.1554341), wk = 0.0023095 k( 385) = ( 0.5000000 0.2886751 0.1457195), wk = 0.0023095 k( 386) = ( 0.5000000 0.2886751 0.1360049), wk = 0.0023095 k( 387) = ( 0.5000000 0.2886751 0.1262902), wk = 0.0023095 k( 388) = ( 0.5000000 0.2886751 0.1165756), wk = 0.0023095 k( 389) = ( 0.5000000 0.2886751 0.1068610), wk = 0.0023095 k( 390) = ( 0.5000000 0.2886751 0.0971463), wk = 0.0023095 k( 391) = ( 0.5000000 0.2886751 0.0874317), wk = 0.0023095 k( 392) = ( 0.5000000 0.2886751 0.0777171), wk = 0.0023095 k( 393) = ( 0.5000000 0.2886751 0.0680024), wk = 0.0023095 k( 394) = ( 0.5000000 0.2886751 0.0582878), wk = 0.0023095 k( 395) = ( 0.5000000 0.2886751 0.0485732), wk = 0.0023095 k( 396) = ( 0.5000000 0.2886751 0.0388585), wk = 0.0023095 k( 397) = ( 0.5000000 0.2886751 0.0291439), wk = 0.0023095 k( 398) = ( 0.5000000 0.2886751 0.0194293), wk = 0.0023095 k( 399) = ( 0.5000000 0.2886751 0.0097146), wk = 0.0023095 k( 400) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0023095 k( 401) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0023095 k( 402) = ( 0.3333333 0.5773503 0.0097146), wk = 0.0023095 k( 403) = ( 0.3333333 0.5773503 0.0194293), wk = 0.0023095 k( 404) = ( 0.3333333 0.5773503 0.0291439), wk = 0.0023095 k( 405) = ( 0.3333333 0.5773503 0.0388585), wk = 0.0023095 k( 406) = ( 0.3333333 0.5773503 0.0485732), wk = 0.0023095 k( 407) = ( 0.3333333 0.5773503 0.0582878), wk = 0.0023095 k( 408) = ( 0.3333333 0.5773503 0.0680024), wk = 0.0023095 k( 409) = ( 0.3333333 0.5773503 0.0777171), wk = 0.0023095 k( 410) = ( 0.3333333 0.5773503 0.0874317), wk = 0.0023095 k( 411) = ( 0.3333333 0.5773503 0.0971463), wk = 0.0023095 k( 412) = ( 0.3333333 0.5773503 0.1068610), wk = 0.0023095 k( 413) = ( 0.3333333 0.5773503 0.1165756), wk = 0.0023095 k( 414) = ( 0.3333333 0.5773503 0.1262902), wk = 0.0023095 k( 415) = ( 0.3333333 0.5773503 0.1360049), wk = 0.0023095 k( 416) = ( 0.3333333 0.5773503 0.1457195), wk = 0.0023095 k( 417) = ( 0.3333333 0.5773503 0.1554341), wk = 0.0023095 k( 418) = ( 0.3333333 0.5773503 0.1651488), wk = 0.0023095 k( 419) = ( 0.3333333 0.5773503 0.1748634), wk = 0.0023095 k( 420) = ( 0.3333333 0.5773503 0.1845780), wk = 0.0023095 k( 421) = ( 0.3333333 0.5773503 0.1942927), wk = 0.0023095 k( 422) = ( 0.3333333 0.5773503 0.2040073), wk = 0.0023095 k( 423) = ( 0.3333333 0.5773503 0.2137219), wk = 0.0023095 k( 424) = ( 0.3333333 0.5773503 0.2234366), wk = 0.0023095 k( 425) = ( 0.3333333 0.5773503 0.2331512), wk = 0.0023095 k( 426) = ( 0.3333333 0.5773503 0.2428658), wk = 0.0023095 k( 427) = ( 0.3333333 0.5773503 0.2525804), wk = 0.0023095 k( 428) = ( 0.3333333 0.5773503 0.2622951), wk = 0.0023095 k( 429) = ( 0.3333333 0.5773503 0.2720097), wk = 0.0023095 k( 430) = ( 0.3333333 0.5773503 0.2817243), wk = 0.0023095 k( 431) = ( 0.3333333 0.5773503 0.2914390), wk = 0.0023095 k( 432) = ( 0.3333333 0.5773503 0.3011536), wk = 0.0023095 k( 433) = ( 0.3333333 0.5773503 0.3108682), wk = 0.0023095 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023095 k( 2) = ( 0.0083333 0.0000000 0.0000000), wk = 0.0023095 k( 3) = ( 0.0166667 0.0000000 -0.0000000), wk = 0.0023095 k( 4) = ( 0.0250000 0.0000000 -0.0000000), wk = 0.0023095 k( 5) = ( 0.0333333 -0.0000000 -0.0000000), wk = 0.0023095 k( 6) = ( 0.0416667 0.0000000 0.0000000), wk = 0.0023095 k( 7) = ( 0.0500000 0.0000000 -0.0000000), wk = 0.0023095 k( 8) = ( 0.0583333 0.0000000 0.0000000), wk = 0.0023095 k( 9) = ( 0.0666667 0.0000000 -0.0000000), wk = 0.0023095 k( 10) = ( 0.0750000 0.0000000 0.0000000), wk = 0.0023095 k( 11) = ( 0.0833333 0.0000000 0.0000000), wk = 0.0023095 k( 12) = ( 0.0916667 0.0000000 0.0000000), wk = 0.0023095 k( 13) = ( 0.1000000 0.0000000 -0.0000000), wk = 0.0023095 k( 14) = ( 0.1083333 -0.0000000 -0.0000000), wk = 0.0023095 k( 15) = ( 0.1166667 0.0000000 0.0000000), wk = 0.0023095 k( 16) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0023095 k( 17) = ( 0.1333333 0.0000000 0.0000000), wk = 0.0023095 k( 18) = ( 0.1416667 0.0000000 0.0000000), wk = 0.0023095 k( 19) = ( 0.1500000 0.0000000 0.0000000), wk = 0.0023095 k( 20) = ( 0.1583333 -0.0000000 0.0000000), wk = 0.0023095 k( 21) = ( 0.1666667 0.0000000 0.0000000), wk = 0.0023095 k( 22) = ( 0.1750000 0.0000000 0.0000000), wk = 0.0023095 k( 23) = ( 0.1833333 0.0000000 -0.0000000), wk = 0.0023095 k( 24) = ( 0.1916667 0.0000000 -0.0000000), wk = 0.0023095 k( 25) = ( 0.2000000 0.0000000 -0.0000000), wk = 0.0023095 k( 26) = ( 0.2083333 0.0000000 -0.0000000), wk = 0.0023095 k( 27) = ( 0.2166667 0.0000000 0.0000000), wk = 0.0023095 k( 28) = ( 0.2250000 0.0000000 0.0000000), wk = 0.0023095 k( 29) = ( 0.2333333 0.0000000 0.0000000), wk = 0.0023095 k( 30) = ( 0.2416667 -0.0000000 0.0000000), wk = 0.0023095 k( 31) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0023095 k( 32) = ( 0.2583333 0.0000000 -0.0000000), wk = 0.0023095 k( 33) = ( 0.2666667 0.0000000 -0.0000000), wk = 0.0023095 k( 34) = ( 0.2750000 0.0000000 0.0000000), wk = 0.0023095 k( 35) = ( 0.2833333 0.0000000 -0.0000000), wk = 0.0023095 k( 36) = ( 0.2916667 0.0000000 -0.0000000), wk = 0.0023095 k( 37) = ( 0.3000000 0.0000000 0.0000000), wk = 0.0023095 k( 38) = ( 0.3083333 -0.0000000 0.0000000), wk = 0.0023095 k( 39) = ( 0.3166667 0.0000000 -0.0000000), wk = 0.0023095 k( 40) = ( 0.3250000 0.0000000 0.0000000), wk = 0.0023095 k( 41) = ( 0.3333333 -0.0000000 0.0000000), wk = 0.0023095 k( 42) = ( 0.3416667 0.0000000 0.0000000), wk = 0.0023095 k( 43) = ( 0.3500000 0.0000000 0.0000000), wk = 0.0023095 k( 44) = ( 0.3583333 0.0000000 -0.0000000), wk = 0.0023095 k( 45) = ( 0.3666667 0.0000000 0.0000000), wk = 0.0023095 k( 46) = ( 0.3750000 0.0000000 -0.0000000), wk = 0.0023095 k( 47) = ( 0.3833333 0.0000000 -0.0000000), wk = 0.0023095 k( 48) = ( 0.3916667 0.0000000 -0.0000000), wk = 0.0023095 k( 49) = ( 0.4000000 0.0000000 -0.0000000), wk = 0.0023095 k( 50) = ( 0.4083333 0.0000000 -0.0000000), wk = 0.0023095 k( 51) = ( 0.4166667 0.0000000 0.0000000), wk = 0.0023095 k( 52) = ( 0.4250000 0.0000000 0.0000000), wk = 0.0023095 k( 53) = ( 0.4333333 0.0000000 0.0000000), wk = 0.0023095 k( 54) = ( 0.4416667 0.0000000 0.0000000), wk = 0.0023095 k( 55) = ( 0.4500000 0.0000000 0.0000000), wk = 0.0023095 k( 56) = ( 0.4583333 0.0000000 0.0000000), wk = 0.0023095 k( 57) = ( 0.4666667 -0.0000000 -0.0000000), wk = 0.0023095 k( 58) = ( 0.4750000 -0.0000000 0.0000000), wk = 0.0023095 k( 59) = ( 0.4833333 0.0000000 -0.0000000), wk = 0.0023095 k( 60) = ( 0.4916667 -0.0000000 -0.0000000), wk = 0.0023095 k( 61) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0023095 k( 62) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0023095 k( 63) = ( 0.4952381 0.0095238 0.0000000), wk = 0.0023095 k( 64) = ( 0.4904762 0.0190476 -0.0000000), wk = 0.0023095 k( 65) = ( 0.4857143 0.0285714 -0.0000000), wk = 0.0023095 k( 66) = ( 0.4809524 0.0380952 0.0000000), wk = 0.0023095 k( 67) = ( 0.4761905 0.0476191 0.0000000), wk = 0.0023095 k( 68) = ( 0.4714286 0.0571429 0.0000000), wk = 0.0023095 k( 69) = ( 0.4666667 0.0666667 0.0000000), wk = 0.0023095 k( 70) = ( 0.4619048 0.0761905 0.0000000), wk = 0.0023095 k( 71) = ( 0.4571429 0.0857143 0.0000000), wk = 0.0023095 k( 72) = ( 0.4523810 0.0952381 -0.0000000), wk = 0.0023095 k( 73) = ( 0.4476191 0.1047619 0.0000000), wk = 0.0023095 k( 74) = ( 0.4428571 0.1142857 -0.0000000), wk = 0.0023095 k( 75) = ( 0.4380952 0.1238095 0.0000000), wk = 0.0023095 k( 76) = ( 0.4333333 0.1333333 -0.0000000), wk = 0.0023095 k( 77) = ( 0.4285714 0.1428571 0.0000000), wk = 0.0023095 k( 78) = ( 0.4238095 0.1523810 0.0000000), wk = 0.0023095 k( 79) = ( 0.4190476 0.1619048 0.0000000), wk = 0.0023095 k( 80) = ( 0.4142857 0.1714286 0.0000000), wk = 0.0023095 k( 81) = ( 0.4095238 0.1809524 0.0000000), wk = 0.0023095 k( 82) = ( 0.4047619 0.1904762 -0.0000000), wk = 0.0023095 k( 83) = ( 0.4000000 0.2000000 -0.0000000), wk = 0.0023095 k( 84) = ( 0.3952381 0.2095238 -0.0000000), wk = 0.0023095 k( 85) = ( 0.3904762 0.2190476 0.0000000), wk = 0.0023095 k( 86) = ( 0.3857143 0.2285714 0.0000000), wk = 0.0023095 k( 87) = ( 0.3809524 0.2380952 -0.0000000), wk = 0.0023095 k( 88) = ( 0.3761905 0.2476191 -0.0000000), wk = 0.0023095 k( 89) = ( 0.3714286 0.2571429 0.0000000), wk = 0.0023095 k( 90) = ( 0.3666667 0.2666667 0.0000000), wk = 0.0023095 k( 91) = ( 0.3619048 0.2761905 -0.0000000), wk = 0.0023095 k( 92) = ( 0.3571429 0.2857143 -0.0000000), wk = 0.0023095 k( 93) = ( 0.3523810 0.2952381 0.0000000), wk = 0.0023095 k( 94) = ( 0.3476190 0.3047619 0.0000000), wk = 0.0023095 k( 95) = ( 0.3428571 0.3142857 0.0000000), wk = 0.0023095 k( 96) = ( 0.3380952 0.3238095 0.0000000), wk = 0.0023095 k( 97) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0023095 k( 98) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0023095 k( 99) = ( 0.3285024 0.3285024 -0.0000000), wk = 0.0023095 k( 100) = ( 0.3236715 0.3236715 0.0000000), wk = 0.0023095 k( 101) = ( 0.3188406 0.3188406 -0.0000000), wk = 0.0023095 k( 102) = ( 0.3140097 0.3140097 -0.0000000), wk = 0.0023095 k( 103) = ( 0.3091787 0.3091787 0.0000000), wk = 0.0023095 k( 104) = ( 0.3043478 0.3043478 -0.0000000), wk = 0.0023095 k( 105) = ( 0.2995169 0.2995169 -0.0000000), wk = 0.0023095 k( 106) = ( 0.2946860 0.2946860 0.0000000), wk = 0.0023095 k( 107) = ( 0.2898551 0.2898551 -0.0000000), wk = 0.0023095 k( 108) = ( 0.2850241 0.2850241 0.0000000), wk = 0.0023095 k( 109) = ( 0.2801932 0.2801932 0.0000000), wk = 0.0023095 k( 110) = ( 0.2753623 0.2753623 0.0000000), wk = 0.0023095 k( 111) = ( 0.2705314 0.2705314 0.0000000), wk = 0.0023095 k( 112) = ( 0.2657005 0.2657005 -0.0000000), wk = 0.0023095 k( 113) = ( 0.2608696 0.2608696 -0.0000000), wk = 0.0023095 k( 114) = ( 0.2560386 0.2560386 0.0000000), wk = 0.0023095 k( 115) = ( 0.2512077 0.2512077 -0.0000000), wk = 0.0023095 k( 116) = ( 0.2463768 0.2463768 -0.0000000), wk = 0.0023095 k( 117) = ( 0.2415459 0.2415459 -0.0000000), wk = 0.0023095 k( 118) = ( 0.2367150 0.2367150 -0.0000000), wk = 0.0023095 k( 119) = ( 0.2318841 0.2318841 -0.0000000), wk = 0.0023095 k( 120) = ( 0.2270531 0.2270531 -0.0000000), wk = 0.0023095 k( 121) = ( 0.2222222 0.2222222 0.0000000), wk = 0.0023095 k( 122) = ( 0.2173913 0.2173913 0.0000000), wk = 0.0023095 k( 123) = ( 0.2125604 0.2125604 -0.0000000), wk = 0.0023095 k( 124) = ( 0.2077295 0.2077295 0.0000000), wk = 0.0023095 k( 125) = ( 0.2028986 0.2028985 0.0000000), wk = 0.0023095 k( 126) = ( 0.1980676 0.1980676 -0.0000000), wk = 0.0023095 k( 127) = ( 0.1932367 0.1932367 -0.0000000), wk = 0.0023095 k( 128) = ( 0.1884058 0.1884058 0.0000000), wk = 0.0023095 k( 129) = ( 0.1835749 0.1835749 -0.0000000), wk = 0.0023095 k( 130) = ( 0.1787440 0.1787440 0.0000000), wk = 0.0023095 k( 131) = ( 0.1739130 0.1739130 -0.0000000), wk = 0.0023095 k( 132) = ( 0.1690821 0.1690821 -0.0000000), wk = 0.0023095 k( 133) = ( 0.1642512 0.1642512 -0.0000000), wk = 0.0023095 k( 134) = ( 0.1594203 0.1594203 -0.0000000), wk = 0.0023095 k( 135) = ( 0.1545894 0.1545894 0.0000000), wk = 0.0023095 k( 136) = ( 0.1497584 0.1497584 0.0000000), wk = 0.0023095 k( 137) = ( 0.1449275 0.1449275 -0.0000000), wk = 0.0023095 k( 138) = ( 0.1400966 0.1400966 0.0000000), wk = 0.0023095 k( 139) = ( 0.1352657 0.1352657 0.0000000), wk = 0.0023095 k( 140) = ( 0.1304348 0.1304348 -0.0000000), wk = 0.0023095 k( 141) = ( 0.1256039 0.1256039 0.0000000), wk = 0.0023095 k( 142) = ( 0.1207730 0.1207730 0.0000000), wk = 0.0023095 k( 143) = ( 0.1159420 0.1159420 -0.0000000), wk = 0.0023095 k( 144) = ( 0.1111111 0.1111111 0.0000000), wk = 0.0023095 k( 145) = ( 0.1062802 0.1062802 0.0000000), wk = 0.0023095 k( 146) = ( 0.1014493 0.1014493 -0.0000000), wk = 0.0023095 k( 147) = ( 0.0966184 0.0966184 -0.0000000), wk = 0.0023095 k( 148) = ( 0.0917874 0.0917874 -0.0000000), wk = 0.0023095 k( 149) = ( 0.0869565 0.0869565 -0.0000000), wk = 0.0023095 k( 150) = ( 0.0821256 0.0821256 0.0000000), wk = 0.0023095 k( 151) = ( 0.0772947 0.0772947 -0.0000000), wk = 0.0023095 k( 152) = ( 0.0724638 0.0724638 -0.0000000), wk = 0.0023095 k( 153) = ( 0.0676328 0.0676328 0.0000000), wk = 0.0023095 k( 154) = ( 0.0628019 0.0628019 0.0000000), wk = 0.0023095 k( 155) = ( 0.0579710 0.0579710 -0.0000000), wk = 0.0023095 k( 156) = ( 0.0531401 0.0531401 0.0000000), wk = 0.0023095 k( 157) = ( 0.0483092 0.0483092 -0.0000000), wk = 0.0023095 k( 158) = ( 0.0434783 0.0434783 -0.0000000), wk = 0.0023095 k( 159) = ( 0.0386473 0.0386473 -0.0000000), wk = 0.0023095 k( 160) = ( 0.0338164 0.0338164 -0.0000000), wk = 0.0023095 k( 161) = ( 0.0289855 0.0289855 0.0000000), wk = 0.0023095 k( 162) = ( 0.0241546 0.0241546 -0.0000000), wk = 0.0023095 k( 163) = ( 0.0193237 0.0193237 -0.0000000), wk = 0.0023095 k( 164) = ( 0.0144928 0.0144928 -0.0000000), wk = 0.0023095 k( 165) = ( 0.0096618 0.0096618 -0.0000000), wk = 0.0023095 k( 166) = ( 0.0048309 0.0048309 -0.0000000), wk = 0.0023095 k( 167) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023095 k( 168) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023095 k( 169) = ( 0.0000000 0.0000000 0.0156250), wk = 0.0023095 k( 170) = ( 0.0000000 0.0000000 0.0312500), wk = 0.0023095 k( 171) = ( 0.0000000 0.0000000 0.0468750), wk = 0.0023095 k( 172) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0023095 k( 173) = ( 0.0000000 0.0000000 0.0781250), wk = 0.0023095 k( 174) = ( 0.0000000 0.0000000 0.0937500), wk = 0.0023095 k( 175) = ( 0.0000000 0.0000000 0.1093750), wk = 0.0023095 k( 176) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0023095 k( 177) = ( 0.0000000 0.0000000 0.1406250), wk = 0.0023095 k( 178) = ( 0.0000000 0.0000000 0.1562500), wk = 0.0023095 k( 179) = ( 0.0000000 0.0000000 0.1718750), wk = 0.0023095 k( 180) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0023095 k( 181) = ( 0.0000000 0.0000000 0.2031250), wk = 0.0023095 k( 182) = ( 0.0000000 0.0000000 0.2187500), wk = 0.0023095 k( 183) = ( 0.0000000 0.0000000 0.2343750), wk = 0.0023095 k( 184) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0023095 k( 185) = ( 0.0000000 0.0000000 0.2656250), wk = 0.0023095 k( 186) = ( 0.0000000 0.0000000 0.2812500), wk = 0.0023095 k( 187) = ( 0.0000000 0.0000000 0.2968750), wk = 0.0023095 k( 188) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0023095 k( 189) = ( 0.0000000 0.0000000 0.3281250), wk = 0.0023095 k( 190) = ( 0.0000000 0.0000000 0.3437500), wk = 0.0023095 k( 191) = ( 0.0000000 0.0000000 0.3593750), wk = 0.0023095 k( 192) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0023095 k( 193) = ( 0.0000000 0.0000000 0.3906250), wk = 0.0023095 k( 194) = ( 0.0000000 0.0000000 0.4062500), wk = 0.0023095 k( 195) = ( 0.0000000 0.0000000 0.4218750), wk = 0.0023095 k( 196) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0023095 k( 197) = ( 0.0000000 0.0000000 0.4531250), wk = 0.0023095 k( 198) = ( 0.0000000 0.0000000 0.4687500), wk = 0.0023095 k( 199) = ( 0.0000000 0.0000000 0.4843750), wk = 0.0023095 k( 200) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023095 k( 201) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023095 k( 202) = ( 0.0083333 0.0000000 0.5000000), wk = 0.0023095 k( 203) = ( 0.0166667 0.0000000 0.5000000), wk = 0.0023095 k( 204) = ( 0.0250000 0.0000000 0.5000000), wk = 0.0023095 k( 205) = ( 0.0333333 -0.0000000 0.5000000), wk = 0.0023095 k( 206) = ( 0.0416667 0.0000000 0.5000000), wk = 0.0023095 k( 207) = ( 0.0500000 0.0000000 0.5000000), wk = 0.0023095 k( 208) = ( 0.0583333 0.0000000 0.5000000), wk = 0.0023095 k( 209) = ( 0.0666667 0.0000000 0.5000000), wk = 0.0023095 k( 210) = ( 0.0750000 0.0000000 0.5000000), wk = 0.0023095 k( 211) = ( 0.0833333 0.0000000 0.5000000), wk = 0.0023095 k( 212) = ( 0.0916667 0.0000000 0.5000000), wk = 0.0023095 k( 213) = ( 0.1000000 0.0000000 0.5000000), wk = 0.0023095 k( 214) = ( 0.1083333 -0.0000000 0.5000000), wk = 0.0023095 k( 215) = ( 0.1166667 0.0000000 0.5000000), wk = 0.0023095 k( 216) = ( 0.1250000 0.0000000 0.5000000), wk = 0.0023095 k( 217) = ( 0.1333333 0.0000000 0.5000000), wk = 0.0023095 k( 218) = ( 0.1416667 0.0000000 0.5000000), wk = 0.0023095 k( 219) = ( 0.1500000 0.0000000 0.5000000), wk = 0.0023095 k( 220) = ( 0.1583333 -0.0000000 0.5000000), wk = 0.0023095 k( 221) = ( 0.1666667 0.0000000 0.5000000), wk = 0.0023095 k( 222) = ( 0.1750000 0.0000000 0.5000000), wk = 0.0023095 k( 223) = ( 0.1833333 0.0000000 0.5000000), wk = 0.0023095 k( 224) = ( 0.1916667 0.0000000 0.5000000), wk = 0.0023095 k( 225) = ( 0.2000000 0.0000000 0.5000000), wk = 0.0023095 k( 226) = ( 0.2083333 0.0000000 0.5000000), wk = 0.0023095 k( 227) = ( 0.2166667 0.0000000 0.5000000), wk = 0.0023095 k( 228) = ( 0.2250000 0.0000000 0.5000000), wk = 0.0023095 k( 229) = ( 0.2333333 0.0000000 0.5000000), wk = 0.0023095 k( 230) = ( 0.2416667 -0.0000000 0.5000000), wk = 0.0023095 k( 231) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0023095 k( 232) = ( 0.2583333 0.0000000 0.5000000), wk = 0.0023095 k( 233) = ( 0.2666667 0.0000000 0.5000000), wk = 0.0023095 k( 234) = ( 0.2750000 0.0000000 0.5000000), wk = 0.0023095 k( 235) = ( 0.2833333 0.0000000 0.5000000), wk = 0.0023095 k( 236) = ( 0.2916667 0.0000000 0.5000000), wk = 0.0023095 k( 237) = ( 0.3000000 0.0000000 0.5000000), wk = 0.0023095 k( 238) = ( 0.3083333 -0.0000000 0.5000000), wk = 0.0023095 k( 239) = ( 0.3166667 0.0000000 0.5000000), wk = 0.0023095 k( 240) = ( 0.3250000 0.0000000 0.5000000), wk = 0.0023095 k( 241) = ( 0.3333333 -0.0000000 0.5000000), wk = 0.0023095 k( 242) = ( 0.3416667 0.0000000 0.5000000), wk = 0.0023095 k( 243) = ( 0.3500000 0.0000000 0.5000000), wk = 0.0023095 k( 244) = ( 0.3583333 0.0000000 0.5000000), wk = 0.0023095 k( 245) = ( 0.3666667 0.0000000 0.5000000), wk = 0.0023095 k( 246) = ( 0.3750000 0.0000000 0.5000000), wk = 0.0023095 k( 247) = ( 0.3833333 0.0000000 0.5000000), wk = 0.0023095 k( 248) = ( 0.3916667 0.0000000 0.5000000), wk = 0.0023095 k( 249) = ( 0.4000000 0.0000000 0.5000000), wk = 0.0023095 k( 250) = ( 0.4083333 0.0000000 0.5000000), wk = 0.0023095 k( 251) = ( 0.4166667 0.0000000 0.5000000), wk = 0.0023095 k( 252) = ( 0.4250000 0.0000000 0.5000000), wk = 0.0023095 k( 253) = ( 0.4333333 0.0000000 0.5000000), wk = 0.0023095 k( 254) = ( 0.4416667 0.0000000 0.5000000), wk = 0.0023095 k( 255) = ( 0.4500000 0.0000000 0.5000000), wk = 0.0023095 k( 256) = ( 0.4583333 0.0000000 0.5000000), wk = 0.0023095 k( 257) = ( 0.4666667 -0.0000000 0.5000000), wk = 0.0023095 k( 258) = ( 0.4750000 -0.0000000 0.5000000), wk = 0.0023095 k( 259) = ( 0.4833333 0.0000000 0.5000000), wk = 0.0023095 k( 260) = ( 0.4916667 -0.0000000 0.5000000), wk = 0.0023095 k( 261) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0023095 k( 262) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0023095 k( 263) = ( 0.4952381 0.0095238 0.5000000), wk = 0.0023095 k( 264) = ( 0.4904762 0.0190476 0.5000000), wk = 0.0023095 k( 265) = ( 0.4857143 0.0285714 0.5000000), wk = 0.0023095 k( 266) = ( 0.4809524 0.0380952 0.5000000), wk = 0.0023095 k( 267) = ( 0.4761905 0.0476191 0.5000000), wk = 0.0023095 k( 268) = ( 0.4714286 0.0571429 0.5000000), wk = 0.0023095 k( 269) = ( 0.4666667 0.0666667 0.5000000), wk = 0.0023095 k( 270) = ( 0.4619048 0.0761905 0.5000000), wk = 0.0023095 k( 271) = ( 0.4571429 0.0857143 0.5000000), wk = 0.0023095 k( 272) = ( 0.4523810 0.0952381 0.5000000), wk = 0.0023095 k( 273) = ( 0.4476191 0.1047619 0.5000000), wk = 0.0023095 k( 274) = ( 0.4428571 0.1142857 0.5000000), wk = 0.0023095 k( 275) = ( 0.4380952 0.1238095 0.5000000), wk = 0.0023095 k( 276) = ( 0.4333333 0.1333333 0.5000000), wk = 0.0023095 k( 277) = ( 0.4285714 0.1428571 0.5000000), wk = 0.0023095 k( 278) = ( 0.4238095 0.1523810 0.5000000), wk = 0.0023095 k( 279) = ( 0.4190476 0.1619048 0.5000000), wk = 0.0023095 k( 280) = ( 0.4142857 0.1714286 0.5000000), wk = 0.0023095 k( 281) = ( 0.4095238 0.1809524 0.5000000), wk = 0.0023095 k( 282) = ( 0.4047619 0.1904762 0.5000000), wk = 0.0023095 k( 283) = ( 0.4000000 0.2000000 0.5000000), wk = 0.0023095 k( 284) = ( 0.3952381 0.2095238 0.5000000), wk = 0.0023095 k( 285) = ( 0.3904762 0.2190476 0.5000000), wk = 0.0023095 k( 286) = ( 0.3857143 0.2285714 0.5000000), wk = 0.0023095 k( 287) = ( 0.3809524 0.2380952 0.5000000), wk = 0.0023095 k( 288) = ( 0.3761905 0.2476191 0.5000000), wk = 0.0023095 k( 289) = ( 0.3714286 0.2571429 0.5000000), wk = 0.0023095 k( 290) = ( 0.3666667 0.2666667 0.5000000), wk = 0.0023095 k( 291) = ( 0.3619048 0.2761905 0.5000000), wk = 0.0023095 k( 292) = ( 0.3571429 0.2857143 0.5000000), wk = 0.0023095 k( 293) = ( 0.3523810 0.2952381 0.5000000), wk = 0.0023095 k( 294) = ( 0.3476190 0.3047619 0.5000000), wk = 0.0023095 k( 295) = ( 0.3428571 0.3142857 0.5000000), wk = 0.0023095 k( 296) = ( 0.3380952 0.3238095 0.5000000), wk = 0.0023095 k( 297) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0023095 k( 298) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0023095 k( 299) = ( 0.3285024 0.3285024 0.5000000), wk = 0.0023095 k( 300) = ( 0.3236715 0.3236715 0.5000000), wk = 0.0023095 k( 301) = ( 0.3188406 0.3188406 0.5000000), wk = 0.0023095 k( 302) = ( 0.3140097 0.3140097 0.5000000), wk = 0.0023095 k( 303) = ( 0.3091787 0.3091787 0.5000000), wk = 0.0023095 k( 304) = ( 0.3043478 0.3043478 0.5000000), wk = 0.0023095 k( 305) = ( 0.2995169 0.2995169 0.5000000), wk = 0.0023095 k( 306) = ( 0.2946860 0.2946860 0.5000000), wk = 0.0023095 k( 307) = ( 0.2898551 0.2898551 0.5000000), wk = 0.0023095 k( 308) = ( 0.2850241 0.2850241 0.5000000), wk = 0.0023095 k( 309) = ( 0.2801932 0.2801932 0.5000000), wk = 0.0023095 k( 310) = ( 0.2753623 0.2753623 0.5000000), wk = 0.0023095 k( 311) = ( 0.2705314 0.2705314 0.5000000), wk = 0.0023095 k( 312) = ( 0.2657005 0.2657005 0.5000000), wk = 0.0023095 k( 313) = ( 0.2608696 0.2608696 0.5000000), wk = 0.0023095 k( 314) = ( 0.2560386 0.2560386 0.5000000), wk = 0.0023095 k( 315) = ( 0.2512077 0.2512077 0.5000000), wk = 0.0023095 k( 316) = ( 0.2463768 0.2463768 0.5000000), wk = 0.0023095 k( 317) = ( 0.2415459 0.2415459 0.5000000), wk = 0.0023095 k( 318) = ( 0.2367150 0.2367150 0.5000000), wk = 0.0023095 k( 319) = ( 0.2318841 0.2318841 0.5000000), wk = 0.0023095 k( 320) = ( 0.2270531 0.2270531 0.5000000), wk = 0.0023095 k( 321) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0023095 k( 322) = ( 0.2173913 0.2173913 0.5000000), wk = 0.0023095 k( 323) = ( 0.2125604 0.2125604 0.5000000), wk = 0.0023095 k( 324) = ( 0.2077295 0.2077295 0.5000000), wk = 0.0023095 k( 325) = ( 0.2028986 0.2028985 0.5000000), wk = 0.0023095 k( 326) = ( 0.1980676 0.1980676 0.5000000), wk = 0.0023095 k( 327) = ( 0.1932367 0.1932367 0.5000000), wk = 0.0023095 k( 328) = ( 0.1884058 0.1884058 0.5000000), wk = 0.0023095 k( 329) = ( 0.1835749 0.1835749 0.5000000), wk = 0.0023095 k( 330) = ( 0.1787440 0.1787440 0.5000000), wk = 0.0023095 k( 331) = ( 0.1739130 0.1739130 0.5000000), wk = 0.0023095 k( 332) = ( 0.1690821 0.1690821 0.5000000), wk = 0.0023095 k( 333) = ( 0.1642512 0.1642512 0.5000000), wk = 0.0023095 k( 334) = ( 0.1594203 0.1594203 0.5000000), wk = 0.0023095 k( 335) = ( 0.1545894 0.1545894 0.5000000), wk = 0.0023095 k( 336) = ( 0.1497584 0.1497584 0.5000000), wk = 0.0023095 k( 337) = ( 0.1449275 0.1449275 0.5000000), wk = 0.0023095 k( 338) = ( 0.1400966 0.1400966 0.5000000), wk = 0.0023095 k( 339) = ( 0.1352657 0.1352657 0.5000000), wk = 0.0023095 k( 340) = ( 0.1304348 0.1304348 0.5000000), wk = 0.0023095 k( 341) = ( 0.1256039 0.1256039 0.5000000), wk = 0.0023095 k( 342) = ( 0.1207730 0.1207730 0.5000000), wk = 0.0023095 k( 343) = ( 0.1159420 0.1159420 0.5000000), wk = 0.0023095 k( 344) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0023095 k( 345) = ( 0.1062802 0.1062802 0.5000000), wk = 0.0023095 k( 346) = ( 0.1014493 0.1014493 0.5000000), wk = 0.0023095 k( 347) = ( 0.0966184 0.0966184 0.5000000), wk = 0.0023095 k( 348) = ( 0.0917874 0.0917874 0.5000000), wk = 0.0023095 k( 349) = ( 0.0869565 0.0869565 0.5000000), wk = 0.0023095 k( 350) = ( 0.0821256 0.0821256 0.5000000), wk = 0.0023095 k( 351) = ( 0.0772947 0.0772947 0.5000000), wk = 0.0023095 k( 352) = ( 0.0724638 0.0724638 0.5000000), wk = 0.0023095 k( 353) = ( 0.0676328 0.0676328 0.5000000), wk = 0.0023095 k( 354) = ( 0.0628019 0.0628019 0.5000000), wk = 0.0023095 k( 355) = ( 0.0579710 0.0579710 0.5000000), wk = 0.0023095 k( 356) = ( 0.0531401 0.0531401 0.5000000), wk = 0.0023095 k( 357) = ( 0.0483092 0.0483092 0.5000000), wk = 0.0023095 k( 358) = ( 0.0434783 0.0434783 0.5000000), wk = 0.0023095 k( 359) = ( 0.0386473 0.0386473 0.5000000), wk = 0.0023095 k( 360) = ( 0.0338164 0.0338164 0.5000000), wk = 0.0023095 k( 361) = ( 0.0289855 0.0289855 0.5000000), wk = 0.0023095 k( 362) = ( 0.0241546 0.0241546 0.5000000), wk = 0.0023095 k( 363) = ( 0.0193237 0.0193237 0.5000000), wk = 0.0023095 k( 364) = ( 0.0144928 0.0144928 0.5000000), wk = 0.0023095 k( 365) = ( 0.0096618 0.0096618 0.5000000), wk = 0.0023095 k( 366) = ( 0.0048309 0.0048309 0.5000000), wk = 0.0023095 k( 367) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023095 k( 368) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0023095 k( 369) = ( 0.5000000 0.0000000 0.4843750), wk = 0.0023095 k( 370) = ( 0.5000000 0.0000000 0.4687500), wk = 0.0023095 k( 371) = ( 0.5000000 0.0000000 0.4531250), wk = 0.0023095 k( 372) = ( 0.5000000 0.0000000 0.4375000), wk = 0.0023095 k( 373) = ( 0.5000000 0.0000000 0.4218750), wk = 0.0023095 k( 374) = ( 0.5000000 0.0000000 0.4062500), wk = 0.0023095 k( 375) = ( 0.5000000 0.0000000 0.3906250), wk = 0.0023095 k( 376) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0023095 k( 377) = ( 0.5000000 0.0000000 0.3593750), wk = 0.0023095 k( 378) = ( 0.5000000 0.0000000 0.3437500), wk = 0.0023095 k( 379) = ( 0.5000000 0.0000000 0.3281250), wk = 0.0023095 k( 380) = ( 0.5000000 0.0000000 0.3125000), wk = 0.0023095 k( 381) = ( 0.5000000 0.0000000 0.2968750), wk = 0.0023095 k( 382) = ( 0.5000000 0.0000000 0.2812500), wk = 0.0023095 k( 383) = ( 0.5000000 0.0000000 0.2656250), wk = 0.0023095 k( 384) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0023095 k( 385) = ( 0.5000000 0.0000000 0.2343750), wk = 0.0023095 k( 386) = ( 0.5000000 0.0000000 0.2187500), wk = 0.0023095 k( 387) = ( 0.5000000 0.0000000 0.2031250), wk = 0.0023095 k( 388) = ( 0.5000000 0.0000000 0.1875000), wk = 0.0023095 k( 389) = ( 0.5000000 0.0000000 0.1718750), wk = 0.0023095 k( 390) = ( 0.5000000 0.0000000 0.1562500), wk = 0.0023095 k( 391) = ( 0.5000000 0.0000000 0.1406250), wk = 0.0023095 k( 392) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0023095 k( 393) = ( 0.5000000 0.0000000 0.1093750), wk = 0.0023095 k( 394) = ( 0.5000000 0.0000000 0.0937500), wk = 0.0023095 k( 395) = ( 0.5000000 0.0000000 0.0781250), wk = 0.0023095 k( 396) = ( 0.5000000 0.0000000 0.0625000), wk = 0.0023095 k( 397) = ( 0.5000000 0.0000000 0.0468750), wk = 0.0023095 k( 398) = ( 0.5000000 0.0000000 0.0312500), wk = 0.0023095 k( 399) = ( 0.5000000 0.0000000 0.0156250), wk = 0.0023095 k( 400) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0023095 k( 401) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0023095 k( 402) = ( 0.3333333 0.3333333 0.0156250), wk = 0.0023095 k( 403) = ( 0.3333333 0.3333333 0.0312500), wk = 0.0023095 k( 404) = ( 0.3333333 0.3333333 0.0468750), wk = 0.0023095 k( 405) = ( 0.3333333 0.3333333 0.0625000), wk = 0.0023095 k( 406) = ( 0.3333333 0.3333333 0.0781250), wk = 0.0023095 k( 407) = ( 0.3333333 0.3333333 0.0937500), wk = 0.0023095 k( 408) = ( 0.3333333 0.3333333 0.1093750), wk = 0.0023095 k( 409) = ( 0.3333333 0.3333333 0.1250000), wk = 0.0023095 k( 410) = ( 0.3333333 0.3333333 0.1406250), wk = 0.0023095 k( 411) = ( 0.3333333 0.3333333 0.1562500), wk = 0.0023095 k( 412) = ( 0.3333333 0.3333333 0.1718750), wk = 0.0023095 k( 413) = ( 0.3333333 0.3333333 0.1875000), wk = 0.0023095 k( 414) = ( 0.3333333 0.3333333 0.2031250), wk = 0.0023095 k( 415) = ( 0.3333333 0.3333333 0.2187500), wk = 0.0023095 k( 416) = ( 0.3333333 0.3333333 0.2343750), wk = 0.0023095 k( 417) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0023095 k( 418) = ( 0.3333333 0.3333333 0.2656250), wk = 0.0023095 k( 419) = ( 0.3333333 0.3333333 0.2812500), wk = 0.0023095 k( 420) = ( 0.3333333 0.3333333 0.2968750), wk = 0.0023095 k( 421) = ( 0.3333333 0.3333333 0.3125000), wk = 0.0023095 k( 422) = ( 0.3333333 0.3333333 0.3281250), wk = 0.0023095 k( 423) = ( 0.3333333 0.3333333 0.3437500), wk = 0.0023095 k( 424) = ( 0.3333333 0.3333333 0.3593750), wk = 0.0023095 k( 425) = ( 0.3333333 0.3333333 0.3750000), wk = 0.0023095 k( 426) = ( 0.3333333 0.3333333 0.3906250), wk = 0.0023095 k( 427) = ( 0.3333333 0.3333333 0.4062500), wk = 0.0023095 k( 428) = ( 0.3333333 0.3333333 0.4218750), wk = 0.0023095 k( 429) = ( 0.3333333 0.3333333 0.4375000), wk = 0.0023095 k( 430) = ( 0.3333333 0.3333333 0.4531250), wk = 0.0023095 k( 431) = ( 0.3333333 0.3333333 0.4687500), wk = 0.0023095 k( 432) = ( 0.3333333 0.3333333 0.4843750), wk = 0.0023095 k( 433) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0023095 Dense grid: 26933 G-vectors FFT dimensions: ( 36, 36, 54) Smooth grid: 11849 G-vectors FFT dimensions: ( 25, 25, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.05 Mb ( 90, 36) NL pseudopotentials 0.06 Mb ( 45, 82) Each V/rho on FFT grid 0.04 Mb ( 2592) Each G-vector array 0.01 Mb ( 751) G-vector shells 0.00 Mb ( 386) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.20 Mb ( 90, 144) Each subspace H/S matrix 0.02 Mb ( 36, 36) Each matrix 0.09 Mb ( 82, 2, 36) The potential is recalculated from file : ./Ag2O.save/charge-density.dat Starting wfc are 44 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.6 secs Computing kpt #: 2 total cpu time spent up to now is 1.8 secs Computing kpt #: 3 total cpu time spent up to now is 2.0 secs Computing kpt #: 4 total cpu time spent up to now is 2.2 secs Computing kpt #: 5 total cpu time spent up to now is 2.4 secs Computing kpt #: 6 total cpu time spent up to now is 2.5 secs Computing kpt #: 7 total cpu time spent up to now is 2.7 secs Computing kpt #: 8 total cpu time spent up to now is 2.9 secs Computing kpt #: 9 total cpu time spent up to now is 3.1 secs Computing kpt #: 10 total cpu time spent up to now is 3.3 secs Computing kpt #: 11 total cpu time spent up to now is 3.4 secs Computing kpt #: 12 total cpu time spent up to now is 3.6 secs Computing kpt #: 13 total cpu time spent up to now is 3.8 secs Computing kpt #: 14 total cpu time spent up to now is 4.0 secs Computing kpt #: 15 total cpu time spent up to now is 4.2 secs Computing kpt #: 16 total cpu time spent up to now is 4.3 secs Computing kpt #: 17 total cpu time spent up to now is 4.5 secs Computing kpt #: 18 total cpu time spent up to now is 4.7 secs Computing kpt #: 19 total cpu time spent up to now is 4.8 secs Computing kpt #: 20 total cpu time spent up to now is 5.0 secs Computing kpt #: 21 total cpu time spent up to now is 5.1 secs Computing kpt #: 22 total cpu time spent up to now is 5.3 secs Computing kpt #: 23 total cpu time spent up to now is 5.4 secs Computing kpt #: 24 total cpu time spent up to now is 5.5 secs Computing kpt #: 25 total cpu time spent up to now is 5.7 secs Computing kpt #: 26 total cpu time spent up to now is 5.8 secs Computing kpt #: 27 total cpu time spent up to now is 6.0 secs Computing kpt #: 28 total cpu time spent up to now is 6.1 secs Computing kpt #: 29 total cpu time spent up to now is 6.2 secs Computing kpt #: 30 total cpu time spent up to now is 6.4 secs Computing kpt #: 31 total cpu time spent up to now is 6.5 secs Computing kpt #: 32 total cpu time spent up to now is 6.6 secs Computing kpt #: 33 total cpu time spent up to now is 6.8 secs Computing kpt #: 34 total cpu time spent up to now is 6.9 secs Computing kpt #: 35 total cpu time spent up to now is 7.1 secs Computing kpt #: 36 total cpu time spent up to now is 7.2 secs Computing kpt #: 37 total cpu time spent up to now is 7.3 secs Computing kpt #: 38 total cpu time spent up to now is 7.5 secs Computing kpt #: 39 total cpu time spent up to now is 7.6 secs Computing kpt #: 40 total cpu time spent up to now is 7.7 secs Computing kpt #: 41 total cpu time spent up to now is 7.9 secs Computing kpt #: 42 total cpu time spent up to now is 8.0 secs Computing kpt #: 43 total cpu time spent up to now is 8.2 secs Computing kpt #: 44 total cpu time spent up to now is 8.3 secs Computing kpt #: 45 total cpu time spent up to now is 8.5 secs Computing kpt #: 46 total cpu time spent up to now is 8.6 secs Computing kpt #: 47 total cpu time spent up to now is 8.8 secs Computing kpt #: 48 total cpu time spent up to now is 8.9 secs Computing kpt #: 49 total cpu time spent up to now is 9.1 secs Computing kpt #: 50 total cpu time spent up to now is 9.2 secs Computing kpt #: 51 total cpu time spent up to now is 9.4 secs Computing kpt #: 52 total cpu time spent up to now is 9.5 secs Computing kpt #: 53 total cpu time spent up to now is 9.7 secs Computing kpt #: 54 total cpu time spent up to now is 9.9 secs Computing kpt #: 55 total cpu time spent up to now is 10.0 secs Computing kpt #: 56 total cpu time spent up to now is 10.2 secs Computing kpt #: 57 total cpu time spent up to now is 10.4 secs Computing kpt #: 58 total cpu time spent up to now is 10.5 secs Computing kpt #: 59 total cpu time spent up to now is 10.7 secs Computing kpt #: 60 total cpu time spent up to now is 10.9 secs Computing kpt #: 61 total cpu time spent up to now is 11.0 secs Computing kpt #: 62 total cpu time spent up to now is 11.2 secs Computing kpt #: 63 total cpu time spent up to now is 11.3 secs Computing kpt #: 64 total cpu time spent up to now is 11.5 secs Computing kpt #: 65 total cpu time spent up to now is 11.6 secs Computing kpt #: 66 total cpu time spent up to now is 11.8 secs Computing kpt #: 67 total cpu time spent up to now is 11.9 secs Computing kpt #: 68 total cpu time spent up to now is 12.1 secs Computing kpt #: 69 total cpu time spent up to now is 12.3 secs Computing kpt #: 70 total cpu time spent up to now is 12.4 secs Computing kpt #: 71 total cpu time spent up to now is 12.6 secs Computing kpt #: 72 total cpu time spent up to now is 12.8 secs Computing kpt #: 73 total cpu time spent up to now is 12.9 secs Computing kpt #: 74 total cpu time spent up to now is 13.1 secs Computing kpt #: 75 total cpu time spent up to now is 13.3 secs Computing kpt #: 76 total cpu time spent up to now is 13.4 secs Computing kpt #: 77 total cpu time spent up to now is 13.6 secs Computing kpt #: 78 total cpu time spent up to now is 13.8 secs Computing kpt #: 79 total cpu time spent up to now is 13.9 secs Computing kpt #: 80 total cpu time spent up to now is 14.1 secs Computing kpt #: 81 total cpu time spent up to now is 14.3 secs Computing kpt #: 82 total cpu time spent up to now is 14.4 secs Computing kpt #: 83 total cpu time spent up to now is 14.6 secs Computing kpt #: 84 total cpu time spent up to now is 14.7 secs Computing kpt #: 85 total cpu time spent up to now is 14.9 secs Computing kpt #: 86 total cpu time spent up to now is 15.0 secs Computing kpt #: 87 total cpu time spent up to now is 15.2 secs Computing kpt #: 88 total cpu time spent up to now is 15.4 secs Computing kpt #: 89 total cpu time spent up to now is 15.5 secs Computing kpt #: 90 total cpu time spent up to now is 15.7 secs Computing kpt #: 91 total cpu time spent up to now is 15.8 secs Computing kpt #: 92 total cpu time spent up to now is 16.0 secs Computing kpt #: 93 total cpu time spent up to now is 16.2 secs Computing kpt #: 94 total cpu time spent up to now is 16.3 secs Computing kpt #: 95 total cpu time spent up to now is 16.5 secs Computing kpt #: 96 total cpu time spent up to now is 16.6 secs Computing kpt #: 97 total cpu time spent up to now is 16.8 secs Computing kpt #: 98 total cpu time spent up to now is 17.0 secs Computing kpt #: 99 total cpu time spent up to now is 17.1 secs Computing kpt #: 100 total cpu time spent up to now is 17.3 secs Computing kpt #: 101 total cpu time spent up to now is 17.5 secs Computing kpt #: 102 total cpu time spent up to now is 17.6 secs Computing kpt #: 103 total cpu time spent up to now is 17.8 secs Computing kpt #: 104 total cpu time spent up to now is 18.0 secs Computing kpt #: 105 total cpu time spent up to now is 18.1 secs Computing kpt #: 106 total cpu time spent up to now is 18.3 secs Computing kpt #: 107 total cpu time spent up to now is 18.4 secs Computing kpt #: 108 total cpu time spent up to now is 18.6 secs Computing kpt #: 109 total cpu time spent up to now is 18.7 secs Computing kpt #: 110 total cpu time spent up to now is 18.9 secs Computing kpt #: 111 total cpu time spent up to now is 19.0 secs Computing kpt #: 112 total cpu time spent up to now is 19.2 secs Computing kpt #: 113 total cpu time spent up to now is 19.3 secs Computing kpt #: 114 total cpu time spent up to now is 19.4 secs Computing kpt #: 115 total cpu time spent up to now is 19.6 secs Computing kpt #: 116 total cpu time spent up to now is 19.8 secs Computing kpt #: 117 total cpu time spent up to now is 19.9 secs Computing kpt #: 118 total cpu time spent up to now is 20.1 secs Computing kpt #: 119 total cpu time spent up to now is 20.2 secs Computing kpt #: 120 total cpu time spent up to now is 20.4 secs Computing kpt #: 121 total cpu time spent up to now is 20.6 secs Computing kpt #: 122 total cpu time spent up to now is 20.7 secs Computing kpt #: 123 total cpu time spent up to now is 20.9 secs Computing kpt #: 124 total cpu time spent up to now is 21.1 secs Computing kpt #: 125 total cpu time spent up to now is 21.2 secs Computing kpt #: 126 total cpu time spent up to now is 21.4 secs Computing kpt #: 127 total cpu time spent up to now is 21.6 secs Computing kpt #: 128 total cpu time spent up to now is 21.7 secs Computing kpt #: 129 total cpu time spent up to now is 21.9 secs Computing kpt #: 130 total cpu time spent up to now is 22.0 secs Computing kpt #: 131 total cpu time spent up to now is 22.2 secs Computing kpt #: 132 total cpu time spent up to now is 22.3 secs Computing kpt #: 133 total cpu time spent up to now is 22.5 secs Computing kpt #: 134 total cpu time spent up to now is 22.6 secs Computing kpt #: 135 total cpu time spent up to now is 22.8 secs Computing kpt #: 136 total cpu time spent up to now is 22.9 secs Computing kpt #: 137 total cpu time spent up to now is 23.1 secs Computing kpt #: 138 total cpu time spent up to now is 23.2 secs Computing kpt #: 139 total cpu time spent up to now is 23.4 secs Computing kpt #: 140 total cpu time spent up to now is 23.5 secs Computing kpt #: 141 total cpu time spent up to now is 23.7 secs Computing kpt #: 142 total cpu time spent up to now is 23.8 secs Computing kpt #: 143 total cpu time spent up to now is 24.0 secs Computing kpt #: 144 total cpu time spent up to now is 24.1 secs Computing kpt #: 145 total cpu time spent up to now is 24.3 secs Computing kpt #: 146 total cpu time spent up to now is 24.5 secs Computing kpt #: 147 total cpu time spent up to now is 24.6 secs Computing kpt #: 148 total cpu time spent up to now is 24.8 secs Computing kpt #: 149 total cpu time spent up to now is 25.0 secs Computing kpt #: 150 total cpu time spent up to now is 25.2 secs Computing kpt #: 151 total cpu time spent up to now is 25.4 secs Computing kpt #: 152 total cpu time spent up to now is 25.5 secs Computing kpt #: 153 total cpu time spent up to now is 25.7 secs Computing kpt #: 154 total cpu time spent up to now is 25.9 secs Computing kpt #: 155 total cpu time spent up to now is 26.1 secs Computing kpt #: 156 total cpu time spent up to now is 26.3 secs Computing kpt #: 157 total cpu time spent up to now is 26.4 secs Computing kpt #: 158 total cpu time spent up to now is 26.6 secs Computing kpt #: 159 total cpu time spent up to now is 26.8 secs Computing kpt #: 160 total cpu time spent up to now is 27.0 secs Computing kpt #: 161 total cpu time spent up to now is 27.2 secs Computing kpt #: 162 total cpu time spent up to now is 27.4 secs Computing kpt #: 163 total cpu time spent up to now is 27.6 secs Computing kpt #: 164 total cpu time spent up to now is 27.8 secs Computing kpt #: 165 total cpu time spent up to now is 28.0 secs Computing kpt #: 166 total cpu time spent up to now is 28.2 secs Computing kpt #: 167 total cpu time spent up to now is 28.3 secs Computing kpt #: 168 total cpu time spent up to now is 28.5 secs Computing kpt #: 169 total cpu time spent up to now is 28.6 secs Computing kpt #: 170 total cpu time spent up to now is 28.8 secs Computing kpt #: 171 total cpu time spent up to now is 28.9 secs Computing kpt #: 172 total cpu time spent up to now is 29.1 secs Computing kpt #: 173 total cpu time spent up to now is 29.3 secs Computing kpt #: 174 total cpu time spent up to now is 29.5 secs Computing kpt #: 175 total cpu time spent up to now is 29.7 secs Computing kpt #: 176 total cpu time spent up to now is 29.9 secs Computing kpt #: 177 total cpu time spent up to now is 30.1 secs Computing kpt #: 178 total cpu time spent up to now is 30.3 secs Computing kpt #: 179 total cpu time spent up to now is 30.5 secs Computing kpt #: 180 total cpu time spent up to now is 30.7 secs Computing kpt #: 181 total cpu time spent up to now is 30.9 secs Computing kpt #: 182 total cpu time spent up to now is 31.2 secs Computing kpt #: 183 total cpu time spent up to now is 31.4 secs Computing kpt #: 184 total cpu time spent up to now is 31.7 secs Computing kpt #: 185 total cpu time spent up to now is 32.1 secs Computing kpt #: 186 total cpu time spent up to now is 32.3 secs Computing kpt #: 187 total cpu time spent up to now is 32.6 secs Computing kpt #: 188 total cpu time spent up to now is 32.8 secs Computing kpt #: 189 total cpu time spent up to now is 33.1 secs Computing kpt #: 190 total cpu time spent up to now is 33.3 secs Computing kpt #: 191 total cpu time spent up to now is 33.5 secs Computing kpt #: 192 total cpu time spent up to now is 33.7 secs Computing kpt #: 193 total cpu time spent up to now is 33.9 secs Computing kpt #: 194 total cpu time spent up to now is 34.1 secs Computing kpt #: 195 total cpu time spent up to now is 34.3 secs Computing kpt #: 196 total cpu time spent up to now is 34.4 secs Computing kpt #: 197 total cpu time spent up to now is 34.6 secs Computing kpt #: 198 total cpu time spent up to now is 34.7 secs Computing kpt #: 199 total cpu time spent up to now is 34.9 secs Computing kpt #: 200 total cpu time spent up to now is 35.0 secs Computing kpt #: 201 total cpu time spent up to now is 35.2 secs Computing kpt #: 202 total cpu time spent up to now is 35.4 secs Computing kpt #: 203 total cpu time spent up to now is 35.5 secs Computing kpt #: 204 total cpu time spent up to now is 35.7 secs Computing kpt #: 205 total cpu time spent up to now is 35.8 secs Computing kpt #: 206 total cpu time spent up to now is 36.0 secs Computing kpt #: 207 total cpu time spent up to now is 36.1 secs Computing kpt #: 208 total cpu time spent up to now is 36.3 secs Computing kpt #: 209 total cpu time spent up to now is 36.5 secs Computing kpt #: 210 total cpu time spent up to now is 36.6 secs Computing kpt #: 211 total cpu time spent up to now is 36.8 secs Computing kpt #: 212 total cpu time spent up to now is 37.0 secs Computing kpt #: 213 total cpu time spent up to now is 37.1 secs Computing kpt #: 214 total cpu time spent up to now is 37.3 secs Computing kpt #: 215 total cpu time spent up to now is 37.5 secs Computing kpt #: 216 total cpu time spent up to now is 37.7 secs Computing kpt #: 217 total cpu time spent up to now is 37.9 secs Computing kpt #: 218 total cpu time spent up to now is 38.0 secs Computing kpt #: 219 total cpu time spent up to now is 38.2 secs Computing kpt #: 220 total cpu time spent up to now is 38.4 secs Computing kpt #: 221 total cpu time spent up to now is 38.6 secs Computing kpt #: 222 total cpu time spent up to now is 38.7 secs Computing kpt #: 223 total cpu time spent up to now is 38.9 secs Computing kpt #: 224 total cpu time spent up to now is 39.1 secs Computing kpt #: 225 total cpu time spent up to now is 39.2 secs Computing kpt #: 226 total cpu time spent up to now is 39.4 secs Computing kpt #: 227 total cpu time spent up to now is 39.6 secs Computing kpt #: 228 total cpu time spent up to now is 39.7 secs Computing kpt #: 229 total cpu time spent up to now is 39.9 secs Computing kpt #: 230 total cpu time spent up to now is 40.1 secs Computing kpt #: 231 total cpu time spent up to now is 40.2 secs Computing kpt #: 232 total cpu time spent up to now is 40.4 secs Computing kpt #: 233 total cpu time spent up to now is 40.6 secs Computing kpt #: 234 total cpu time spent up to now is 40.8 secs Computing kpt #: 235 total cpu time spent up to now is 40.9 secs Computing kpt #: 236 total cpu time spent up to now is 41.1 secs Computing kpt #: 237 total cpu time spent up to now is 41.2 secs Computing kpt #: 238 total cpu time spent up to now is 41.4 secs Computing kpt #: 239 total cpu time spent up to now is 41.6 secs Computing kpt #: 240 total cpu time spent up to now is 41.7 secs Computing kpt #: 241 total cpu time spent up to now is 41.9 secs Computing kpt #: 242 total cpu time spent up to now is 42.0 secs Computing kpt #: 243 total cpu time spent up to now is 42.2 secs Computing kpt #: 244 total cpu time spent up to now is 42.3 secs Computing kpt #: 245 total cpu time spent up to now is 42.5 secs Computing kpt #: 246 total cpu time spent up to now is 42.6 secs Computing kpt #: 247 total cpu time spent up to now is 42.8 secs Computing kpt #: 248 total cpu time spent up to now is 42.9 secs Computing kpt #: 249 total cpu time spent up to now is 43.1 secs Computing kpt #: 250 total cpu time spent up to now is 43.2 secs Computing kpt #: 251 total cpu time spent up to now is 43.4 secs Computing kpt #: 252 total cpu time spent up to now is 43.5 secs Computing kpt #: 253 total cpu time spent up to now is 43.7 secs Computing kpt #: 254 total cpu time spent up to now is 43.8 secs Computing kpt #: 255 total cpu time spent up to now is 43.9 secs Computing kpt #: 256 total cpu time spent up to now is 44.1 secs Computing kpt #: 257 total cpu time spent up to now is 44.2 secs Computing kpt #: 258 total cpu time spent up to now is 44.3 secs Computing kpt #: 259 total cpu time spent up to now is 44.4 secs Computing kpt #: 260 total cpu time spent up to now is 44.5 secs Computing kpt #: 261 total cpu time spent up to now is 44.7 secs Computing kpt #: 262 total cpu time spent up to now is 44.8 secs Computing kpt #: 263 total cpu time spent up to now is 44.9 secs Computing kpt #: 264 total cpu time spent up to now is 45.0 secs Computing kpt #: 265 total cpu time spent up to now is 45.2 secs Computing kpt #: 266 total cpu time spent up to now is 45.3 secs Computing kpt #: 267 total cpu time spent up to now is 45.4 secs Computing kpt #: 268 total cpu time spent up to now is 45.5 secs Computing kpt #: 269 total cpu time spent up to now is 45.7 secs Computing kpt #: 270 total cpu time spent up to now is 45.8 secs Computing kpt #: 271 total cpu time spent up to now is 45.9 secs Computing kpt #: 272 total cpu time spent up to now is 46.1 secs Computing kpt #: 273 total cpu time spent up to now is 46.2 secs Computing kpt #: 274 total cpu time spent up to now is 46.3 secs Computing kpt #: 275 total cpu time spent up to now is 46.5 secs Computing kpt #: 276 total cpu time spent up to now is 46.6 secs Computing kpt #: 277 total cpu time spent up to now is 46.8 secs Computing kpt #: 278 total cpu time spent up to now is 46.9 secs Computing kpt #: 279 total cpu time spent up to now is 47.1 secs Computing kpt #: 280 total cpu time spent up to now is 47.2 secs Computing kpt #: 281 total cpu time spent up to now is 47.4 secs Computing kpt #: 282 total cpu time spent up to now is 47.5 secs Computing kpt #: 283 total cpu time spent up to now is 47.7 secs Computing kpt #: 284 total cpu time spent up to now is 47.9 secs Computing kpt #: 285 total cpu time spent up to now is 48.1 secs Computing kpt #: 286 total cpu time spent up to now is 48.2 secs Computing kpt #: 287 total cpu time spent up to now is 48.4 secs Computing kpt #: 288 total cpu time spent up to now is 48.6 secs Computing kpt #: 289 total cpu time spent up to now is 48.8 secs Computing kpt #: 290 total cpu time spent up to now is 48.9 secs Computing kpt #: 291 total cpu time spent up to now is 49.1 secs Computing kpt #: 292 total cpu time spent up to now is 49.3 secs Computing kpt #: 293 total cpu time spent up to now is 49.4 secs Computing kpt #: 294 total cpu time spent up to now is 49.6 secs Computing kpt #: 295 total cpu time spent up to now is 49.8 secs Computing kpt #: 296 total cpu time spent up to now is 49.9 secs Computing kpt #: 297 total cpu time spent up to now is 50.1 secs Computing kpt #: 298 total cpu time spent up to now is 50.3 secs Computing kpt #: 299 total cpu time spent up to now is 50.5 secs Computing kpt #: 300 total cpu time spent up to now is 50.6 secs Computing kpt #: 301 total cpu time spent up to now is 50.8 secs Computing kpt #: 302 total cpu time spent up to now is 50.9 secs Computing kpt #: 303 total cpu time spent up to now is 51.1 secs Computing kpt #: 304 total cpu time spent up to now is 51.3 secs Computing kpt #: 305 total cpu time spent up to now is 51.4 secs Computing kpt #: 306 total cpu time spent up to now is 51.6 secs Computing kpt #: 307 total cpu time spent up to now is 51.7 secs Computing kpt #: 308 total cpu time spent up to now is 51.9 secs Computing kpt #: 309 total cpu time spent up to now is 52.0 secs Computing kpt #: 310 total cpu time spent up to now is 52.2 secs Computing kpt #: 311 total cpu time spent up to now is 52.3 secs Computing kpt #: 312 total cpu time spent up to now is 52.5 secs Computing kpt #: 313 total cpu time spent up to now is 52.6 secs Computing kpt #: 314 total cpu time spent up to now is 52.8 secs Computing kpt #: 315 total cpu time spent up to now is 53.0 secs Computing kpt #: 316 total cpu time spent up to now is 53.1 secs Computing kpt #: 317 total cpu time spent up to now is 53.3 secs Computing kpt #: 318 total cpu time spent up to now is 53.4 secs Computing kpt #: 319 total cpu time spent up to now is 53.6 secs Computing kpt #: 320 total cpu time spent up to now is 53.8 secs Computing kpt #: 321 total cpu time spent up to now is 53.9 secs Computing kpt #: 322 total cpu time spent up to now is 54.1 secs Computing kpt #: 323 total cpu time spent up to now is 54.2 secs Computing kpt #: 324 total cpu time spent up to now is 54.4 secs Computing kpt #: 325 total cpu time spent up to now is 54.6 secs Computing kpt #: 326 total cpu time spent up to now is 54.7 secs Computing kpt #: 327 total cpu time spent up to now is 54.9 secs Computing kpt #: 328 total cpu time spent up to now is 55.0 secs Computing kpt #: 329 total cpu time spent up to now is 55.2 secs Computing kpt #: 330 total cpu time spent up to now is 55.4 secs Computing kpt #: 331 total cpu time spent up to now is 55.5 secs Computing kpt #: 332 total cpu time spent up to now is 55.7 secs Computing kpt #: 333 total cpu time spent up to now is 55.8 secs Computing kpt #: 334 total cpu time spent up to now is 56.0 secs Computing kpt #: 335 total cpu time spent up to now is 56.2 secs Computing kpt #: 336 total cpu time spent up to now is 56.3 secs Computing kpt #: 337 total cpu time spent up to now is 56.5 secs Computing kpt #: 338 total cpu time spent up to now is 56.7 secs Computing kpt #: 339 total cpu time spent up to now is 56.8 secs Computing kpt #: 340 total cpu time spent up to now is 57.0 secs Computing kpt #: 341 total cpu time spent up to now is 57.2 secs Computing kpt #: 342 total cpu time spent up to now is 57.4 secs Computing kpt #: 343 total cpu time spent up to now is 57.5 secs Computing kpt #: 344 total cpu time spent up to now is 57.7 secs Computing kpt #: 345 total cpu time spent up to now is 57.9 secs Computing kpt #: 346 total cpu time spent up to now is 58.1 secs Computing kpt #: 347 total cpu time spent up to now is 58.3 secs Computing kpt #: 348 total cpu time spent up to now is 58.5 secs Computing kpt #: 349 total cpu time spent up to now is 58.7 secs Computing kpt #: 350 total cpu time spent up to now is 58.9 secs Computing kpt #: 351 total cpu time spent up to now is 59.1 secs Computing kpt #: 352 total cpu time spent up to now is 59.3 secs Computing kpt #: 353 total cpu time spent up to now is 59.4 secs Computing kpt #: 354 total cpu time spent up to now is 59.6 secs Computing kpt #: 355 total cpu time spent up to now is 59.8 secs Computing kpt #: 356 total cpu time spent up to now is 60.0 secs Computing kpt #: 357 total cpu time spent up to now is 60.1 secs Computing kpt #: 358 total cpu time spent up to now is 60.3 secs Computing kpt #: 359 total cpu time spent up to now is 60.5 secs Computing kpt #: 360 total cpu time spent up to now is 60.6 secs Computing kpt #: 361 total cpu time spent up to now is 60.8 secs Computing kpt #: 362 total cpu time spent up to now is 61.0 secs Computing kpt #: 363 total cpu time spent up to now is 61.1 secs Computing kpt #: 364 total cpu time spent up to now is 61.3 secs Computing kpt #: 365 total cpu time spent up to now is 61.4 secs Computing kpt #: 366 total cpu time spent up to now is 61.6 secs Computing kpt #: 367 total cpu time spent up to now is 61.7 secs Computing kpt #: 368 total cpu time spent up to now is 61.9 secs Computing kpt #: 369 total cpu time spent up to now is 62.0 secs Computing kpt #: 370 total cpu time spent up to now is 62.1 secs Computing kpt #: 371 total cpu time spent up to now is 62.2 secs Computing kpt #: 372 total cpu time spent up to now is 62.4 secs Computing kpt #: 373 total cpu time spent up to now is 62.5 secs Computing kpt #: 374 total cpu time spent up to now is 62.6 secs Computing kpt #: 375 total cpu time spent up to now is 62.7 secs Computing kpt #: 376 total cpu time spent up to now is 62.9 secs Computing kpt #: 377 total cpu time spent up to now is 63.0 secs Computing kpt #: 378 total cpu time spent up to now is 63.1 secs Computing kpt #: 379 total cpu time spent up to now is 63.3 secs Computing kpt #: 380 total cpu time spent up to now is 63.4 secs Computing kpt #: 381 total cpu time spent up to now is 63.5 secs Computing kpt #: 382 total cpu time spent up to now is 63.7 secs Computing kpt #: 383 total cpu time spent up to now is 63.8 secs Computing kpt #: 384 total cpu time spent up to now is 64.0 secs Computing kpt #: 385 total cpu time spent up to now is 64.1 secs Computing kpt #: 386 total cpu time spent up to now is 64.3 secs Computing kpt #: 387 total cpu time spent up to now is 64.4 secs Computing kpt #: 388 total cpu time spent up to now is 64.6 secs Computing kpt #: 389 total cpu time spent up to now is 64.7 secs Computing kpt #: 390 total cpu time spent up to now is 64.9 secs Computing kpt #: 391 total cpu time spent up to now is 65.0 secs Computing kpt #: 392 total cpu time spent up to now is 65.2 secs Computing kpt #: 393 total cpu time spent up to now is 65.3 secs Computing kpt #: 394 total cpu time spent up to now is 65.5 secs Computing kpt #: 395 total cpu time spent up to now is 65.7 secs Computing kpt #: 396 total cpu time spent up to now is 65.8 secs Computing kpt #: 397 total cpu time spent up to now is 66.0 secs Computing kpt #: 398 total cpu time spent up to now is 66.1 secs Computing kpt #: 399 total cpu time spent up to now is 66.3 secs Computing kpt #: 400 total cpu time spent up to now is 66.4 secs Computing kpt #: 401 total cpu time spent up to now is 66.6 secs Computing kpt #: 402 total cpu time spent up to now is 66.8 secs Computing kpt #: 403 total cpu time spent up to now is 66.9 secs Computing kpt #: 404 total cpu time spent up to now is 67.1 secs Computing kpt #: 405 total cpu time spent up to now is 67.3 secs Computing kpt #: 406 total cpu time spent up to now is 67.4 secs Computing kpt #: 407 total cpu time spent up to now is 67.6 secs Computing kpt #: 408 total cpu time spent up to now is 67.8 secs Computing kpt #: 409 total cpu time spent up to now is 67.9 secs Computing kpt #: 410 total cpu time spent up to now is 68.1 secs Computing kpt #: 411 total cpu time spent up to now is 68.3 secs Computing kpt #: 412 total cpu time spent up to now is 68.4 secs Computing kpt #: 413 total cpu time spent up to now is 68.6 secs Computing kpt #: 414 total cpu time spent up to now is 68.8 secs Computing kpt #: 415 total cpu time spent up to now is 69.0 secs Computing kpt #: 416 total cpu time spent up to now is 69.2 secs Computing kpt #: 417 total cpu time spent up to now is 69.3 secs Computing kpt #: 418 total cpu time spent up to now is 69.5 secs Computing kpt #: 419 total cpu time spent up to now is 69.7 secs Computing kpt #: 420 total cpu time spent up to now is 69.9 secs Computing kpt #: 421 total cpu time spent up to now is 70.0 secs Computing kpt #: 422 total cpu time spent up to now is 70.2 secs Computing kpt #: 423 total cpu time spent up to now is 70.4 secs Computing kpt #: 424 total cpu time spent up to now is 70.5 secs Computing kpt #: 425 total cpu time spent up to now is 70.7 secs Computing kpt #: 426 total cpu time spent up to now is 70.9 secs Computing kpt #: 427 total cpu time spent up to now is 71.0 secs Computing kpt #: 428 total cpu time spent up to now is 71.2 secs Computing kpt #: 429 total cpu time spent up to now is 71.4 secs Computing kpt #: 430 total cpu time spent up to now is 71.5 secs Computing kpt #: 431 total cpu time spent up to now is 71.7 secs Computing kpt #: 432 total cpu time spent up to now is 71.9 secs Computing kpt #: 433 total cpu time spent up to now is 72.0 secs ethr = 3.57E-08, avg # of iterations = 17.6 total cpu time spent up to now is 72.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1473 PWs) bands (ev): -7.1768 -7.1768 4.8292 4.8292 6.0505 6.0505 6.2010 6.2010 7.7024 7.7024 7.7722 7.7722 7.7727 7.7727 8.2832 8.2832 8.3216 8.3216 8.4498 8.4498 8.7126 8.7126 8.7432 8.7432 9.9279 9.9279 12.1258 12.1258 12.1486 12.1486 16.6692 16.6692 18.1699 18.1699 27.1005 27.1005 k = 0.0083 0.0048-0.0000 ( 1473 PWs) bands (ev): -7.1765 -7.1765 4.8301 4.8301 6.0494 6.0494 6.1996 6.1996 7.7028 7.7028 7.7723 7.7723 7.7742 7.7742 8.2824 8.2824 8.3210 8.3210 8.4482 8.4482 8.7148 8.7148 8.7452 8.7452 9.9293 9.9293 12.1239 12.1239 12.1471 12.1471 16.6738 16.6738 18.1705 18.1705 27.0915 27.0915 k = 0.0167 0.0096-0.0000 ( 1475 PWs) bands (ev): -7.1755 -7.1755 4.8330 4.8330 6.0457 6.0457 6.1955 6.1955 7.7038 7.7038 7.7713 7.7713 7.7803 7.7803 8.2800 8.2800 8.3193 8.3193 8.4436 8.4436 8.7209 8.7209 8.7513 8.7513 9.9337 9.9337 12.1175 12.1175 12.1437 12.1437 16.6879 16.6879 18.1724 18.1724 27.0640 27.0640 k = 0.0250 0.0144-0.0000 ( 1475 PWs) bands (ev): -7.1738 -7.1738 4.8379 4.8379 6.0392 6.0392 6.1894 6.1894 7.7052 7.7052 7.7697 7.7697 7.7903 7.7903 8.2761 8.2761 8.3166 8.3166 8.4366 8.4366 8.7305 8.7305 8.7618 8.7618 9.9409 9.9409 12.1047 12.1047 12.1401 12.1401 16.7111 16.7111 18.1757 18.1757 27.0159 27.0159 k = 0.0333 0.0192-0.0000 ( 1479 PWs) bands (ev): -7.1715 -7.1715 4.8446 4.8446 6.0293 6.0293 6.1819 6.1819 7.7069 7.7069 7.7672 7.7672 7.8038 7.8038 8.2709 8.2709 8.3130 8.3130 8.4279 8.4279 8.7424 8.7424 8.7769 8.7769 9.9509 9.9509 12.0851 12.0851 12.1370 12.1370 16.7433 16.7433 18.1802 18.1802 26.9446 26.9446 k = 0.0417 0.0241-0.0000 ( 1479 PWs) bands (ev): -7.1686 -7.1686 4.8532 4.8532 6.0155 6.0155 6.1741 6.1741 7.7086 7.7086 7.7639 7.7639 7.8202 7.8202 8.2648 8.2648 8.3089 8.3089 8.4185 8.4185 8.7558 8.7558 8.7967 8.7967 9.9635 9.9635 12.0593 12.0593 12.1342 12.1342 16.7842 16.7842 18.1859 18.1859 26.8484 26.8484 k = 0.0500 0.0289-0.0000 ( 1475 PWs) bands (ev): -7.1650 -7.1650 4.8637 4.8637 5.9975 5.9975 6.1669 6.1669 7.7102 7.7102 7.7597 7.7597 7.8389 7.8389 8.2580 8.2580 8.3043 8.3043 8.4091 8.4091 8.7704 8.7704 8.8213 8.8213 9.9787 9.9787 12.0280 12.0280 12.1313 12.1313 16.8334 16.8334 18.1930 18.1930 26.7277 26.7277 k = 0.0583 0.0337-0.0000 ( 1475 PWs) bands (ev): -7.1608 -7.1608 4.8760 4.8760 5.9751 5.9751 6.1607 6.1607 7.7112 7.7112 7.7544 7.7544 7.8590 7.8590 8.2509 8.2509 8.2993 8.2993 8.4004 8.4004 8.7859 8.7859 8.8503 8.8503 9.9961 9.9961 11.9918 11.9918 12.1281 12.1281 16.8905 16.8905 18.2013 18.2013 26.5851 26.5851 k = 0.0667 0.0385-0.0000 ( 1479 PWs) bands (ev): -7.1560 -7.1560 4.8901 4.8901 5.9486 5.9486 6.1557 6.1557 7.7112 7.7112 7.7483 7.7483 7.8796 7.8796 8.2441 8.2441 8.2940 8.2940 8.3932 8.3932 8.8019 8.8019 8.8836 8.8836 10.0156 10.0156 11.9510 11.9510 12.1245 12.1245 16.9551 16.9551 18.2108 18.2108 26.4238 26.4238 k = 0.0750 0.0433-0.0000 ( 1479 PWs) bands (ev): -7.1505 -7.1505 4.9058 4.9058 5.9186 5.9186 6.1518 6.1518 7.7092 7.7092 7.7423 7.7423 7.9001 7.9001 8.2380 8.2380 8.2886 8.2886 8.3880 8.3880 8.8185 8.8185 8.9212 8.9212 10.0371 10.0371 11.9063 11.9063 12.1204 12.1204 17.0267 17.0267 18.2216 18.2216 26.2472 26.2472 k = 0.0833 0.0481-0.0000 ( 1485 PWs) bands (ev): -7.1445 -7.1445 4.9231 4.9231 5.8856 5.8856 6.1488 6.1488 7.7037 7.7037 7.7371 7.7371 7.9196 7.9196 8.2328 8.2328 8.2832 8.2832 8.3850 8.3850 8.8356 8.8356 8.9629 8.9629 10.0603 10.0603 11.8581 11.8581 12.1159 12.1159 17.1048 17.1048 18.2336 18.2336 26.0582 26.0582 k = 0.0917 0.0529-0.0000 ( 1477 PWs) bands (ev): -7.1379 -7.1379 4.9421 4.9421 5.8503 5.8503 6.1466 6.1466 7.6939 7.6939 7.7338 7.7338 7.9377 7.9377 8.2292 8.2292 8.2785 8.2785 8.3848 8.3848 8.8531 8.8531 9.0088 9.0088 10.0853 10.0853 11.8068 11.8068 12.1109 12.1109 17.1889 17.1889 18.2468 18.2468 25.8591 25.8591 k = 0.1000 0.0577-0.0000 ( 1469 PWs) bands (ev): -7.1308 -7.1308 4.9625 4.9625 5.8132 5.8132 6.1449 6.1449 7.6800 7.6800 7.7317 7.7317 7.9541 7.9541 8.2271 8.2271 8.2746 8.2746 8.3872 8.3872 8.8707 8.8707 9.0589 9.0589 10.1116 10.1116 11.7532 11.7532 12.1053 12.1053 17.2786 17.2786 18.2612 18.2612 25.6519 25.6519 k = 0.1083 0.0625-0.0000 ( 1473 PWs) bands (ev): -7.1231 -7.1231 4.9842 4.9842 5.7747 5.7747 6.1432 6.1432 7.6627 7.6627 7.7297 7.7297 7.9683 7.9683 8.2265 8.2265 8.2719 8.2719 8.3921 8.3921 8.8883 8.8883 9.1127 9.1127 10.1393 10.1393 11.6973 11.6973 12.0991 12.0991 17.3734 17.3734 18.2768 18.2768 25.4382 25.4382 k = 0.1167 0.0674-0.0000 ( 1473 PWs) bands (ev): -7.1148 -7.1148 5.0072 5.0072 5.7353 5.7353 6.1417 6.1417 7.6426 7.6426 7.7274 7.7274 7.9807 7.9807 8.2274 8.2274 8.2710 8.2710 8.3994 8.3994 8.9061 8.9061 9.1703 9.1703 10.1683 10.1683 11.6396 11.6396 12.0924 12.0924 17.4728 17.4728 18.2936 18.2936 25.2192 25.2192 k = 0.1250 0.0722-0.0000 ( 1473 PWs) bands (ev): -7.1061 -7.1061 5.0313 5.0313 5.6953 5.6953 6.1401 6.1401 7.6202 7.6202 7.7244 7.7244 7.9915 7.9915 8.2294 8.2294 8.2723 8.2723 8.4090 8.4090 8.9237 8.9237 9.2314 9.2314 10.1984 10.1984 11.5808 11.5808 12.0850 12.0850 17.5763 17.5763 18.3115 18.3115 24.9961 24.9961 k = 0.1333 0.0770-0.0000 ( 1475 PWs) bands (ev): -7.0970 -7.0970 5.0565 5.0565 5.6550 5.6550 6.1383 6.1383 7.5957 7.5957 7.7206 7.7206 8.0009 8.0009 8.2322 8.2322 8.2762 8.2762 8.4206 8.4206 8.9411 8.9411 9.2955 9.2955 10.2298 10.2298 11.5211 11.5211 12.0769 12.0769 17.6836 17.6836 18.3306 18.3306 24.7699 24.7699 k = 0.1417 0.0818-0.0000 ( 1475 PWs) bands (ev): -7.0873 -7.0873 5.0824 5.0824 5.6147 5.6147 6.1363 6.1363 7.5694 7.5694 7.7159 7.7159 8.0093 8.0093 8.2355 8.2355 8.2827 8.2827 8.4341 8.4341 8.9585 8.9585 9.3622 9.3622 10.2624 10.2624 11.4610 11.4610 12.0682 12.0682 17.7942 17.7942 18.3510 18.3510 24.5412 24.5412 k = 0.1500 0.0866-0.0000 ( 1475 PWs) bands (ev): -7.0773 -7.0773 5.1091 5.1091 5.5746 5.5746 6.1339 6.1339 7.5416 7.5416 7.7103 7.7103 8.0172 8.0172 8.2390 8.2390 8.2920 8.2920 8.4494 8.4494 8.9756 8.9756 9.4310 9.4310 10.2963 10.2963 11.4009 11.4009 12.0587 12.0587 17.9074 17.9074 18.3726 18.3726 24.3109 24.3109 k = 0.1583 0.0914-0.0000 ( 1479 PWs) bands (ev): -7.0668 -7.0668 5.1362 5.1362 5.5350 5.5350 6.1311 6.1311 7.5126 7.5126 7.7038 7.7038 8.0249 8.0249 8.2428 8.2428 8.3039 8.3039 8.4661 8.4661 8.9924 8.9924 9.5013 9.5013 10.3316 10.3316 11.3413 11.3413 12.0486 12.0486 18.0229 18.0229 18.3957 18.3957 24.0795 24.0795 k = 0.1667 0.0962-0.0000 ( 1479 PWs) bands (ev): -7.0560 -7.0560 5.1636 5.1636 5.4960 5.4960 6.1278 6.1278 7.4826 7.4826 7.6966 7.6966 8.0327 8.0327 8.2470 8.2470 8.3183 8.3183 8.4843 8.4843 9.0089 9.0089 9.5723 9.5723 10.3684 10.3684 11.2827 11.2827 12.0376 12.0376 18.1396 18.1396 18.4208 18.4208 23.8475 23.8475 k = 0.1750 0.1010-0.0000 ( 1479 PWs) bands (ev): -7.0449 -7.0449 5.1907 5.1907 5.4581 5.4581 6.1240 6.1240 7.4520 7.4520 7.6889 7.6889 8.0407 8.0407 8.2514 8.2514 8.3348 8.3348 8.5038 8.5038 9.0252 9.0252 9.6433 9.6433 10.4068 10.4068 11.2257 11.2257 12.0260 12.0260 18.2556 18.2556 18.4494 18.4494 23.6156 23.6156 k = 0.1833 0.1058-0.0000 ( 1483 PWs) bands (ev): -7.0334 -7.0334 5.2171 5.2171 5.4217 5.4217 6.1196 6.1196 7.4208 7.4208 7.6809 7.6809 8.0491 8.0491 8.2561 8.2561 8.3534 8.3534 8.5243 8.5243 9.0411 9.0411 9.7132 9.7132 10.4469 10.4469 11.1712 11.1712 12.0134 12.0134 18.3648 18.3648 18.4871 18.4871 23.3841 23.3841 k = 0.1917 0.1107-0.0000 ( 1487 PWs) bands (ev): -7.0217 -7.0217 5.2413 5.2413 5.3881 5.3881 6.1148 6.1148 7.3893 7.3893 7.6727 7.6727 8.0579 8.0579 8.2614 8.2614 8.3739 8.3739 8.5462 8.5462 9.0566 9.0566 9.7812 9.7812 10.4883 10.4883 11.1204 11.1204 12.0001 12.0001 18.4464 18.4464 18.5544 18.5544 23.1535 23.1535 k = 0.2000 0.1155-0.0000 ( 1487 PWs) bands (ev): -7.0097 -7.0097 5.2596 5.2596 5.3611 5.3611 6.1093 6.1093 7.3576 7.3576 7.6647 7.6647 8.0671 8.0671 8.2673 8.2673 8.3960 8.3960 8.5692 8.5692 9.0718 9.0718 9.8461 9.8461 10.5301 10.5301 11.0752 11.0752 11.9860 11.9860 18.4923 18.4923 18.6588 18.6588 22.9244 22.9244 k = 0.2083 0.1203-0.0000 ( 1481 PWs) bands (ev): -6.9976 -6.9976 5.2625 5.2625 5.3501 5.3501 6.1033 6.1033 7.3260 7.3260 7.6572 7.6572 8.0766 8.0766 8.2741 8.2741 8.4198 8.4198 8.5932 8.5932 9.0866 9.0866 9.9071 9.9071 10.5703 10.5703 11.0388 11.0388 11.9711 11.9711 18.5258 18.5258 18.7764 18.7764 22.6972 22.6972 k = 0.2167 0.1251-0.0000 ( 1481 PWs) bands (ev): -6.9852 -6.9852 5.2449 5.2449 5.3597 5.3597 6.0967 6.0967 7.2944 7.2944 7.6500 7.6500 8.0861 8.0861 8.2819 8.2819 8.4451 8.4451 8.6183 8.6183 9.1010 9.1010 9.9630 9.9630 10.6043 10.6043 11.0161 11.0161 11.9553 11.9553 18.5564 18.5564 18.8971 18.8971 22.4726 22.4726 k = 0.2250 0.1299-0.0000 ( 1479 PWs) bands (ev): -6.9727 -6.9727 5.2176 5.2176 5.3793 5.3793 6.0896 6.0896 7.2631 7.2631 7.6436 7.6436 8.0953 8.0953 8.2910 8.2910 8.4718 8.4718 8.6442 8.6442 9.1151 9.1151 10.0133 10.0133 10.6264 10.6264 11.0140 11.0140 11.9387 11.9387 18.5863 18.5863 19.0180 19.0180 22.2514 22.2514 k = 0.2333 0.1347-0.0000 ( 1479 PWs) bands (ev): -6.9601 -6.9601 5.1875 5.1875 5.4017 5.4017 6.0820 6.0820 7.2322 7.2322 7.6382 7.6382 8.1042 8.1042 8.3016 8.3016 8.4995 8.4995 8.6707 8.6707 9.1289 9.1289 10.0575 10.0575 10.6317 10.6317 11.0377 11.0377 11.9213 11.9213 18.6162 18.6162 19.1371 19.1371 22.0345 22.0345 k = 0.2417 0.1395-0.0000 ( 1483 PWs) bands (ev): -6.9474 -6.9474 5.1570 5.1570 5.4245 5.4245 6.0738 6.0738 7.2017 7.2017 7.6338 7.6338 8.1123 8.1123 8.3141 8.3141 8.5283 8.5283 8.6978 8.6978 9.1423 9.1423 10.0953 10.0953 10.6214 10.6214 11.0861 11.0861 11.9030 11.9030 18.6464 18.6464 19.2529 19.2529 21.8233 21.8233 k = 0.2500 0.1443-0.0000 ( 1483 PWs) bands (ev): -6.9346 -6.9346 5.1268 5.1268 5.4468 5.4468 6.0653 6.0653 7.1716 7.1716 7.6306 7.6306 8.1195 8.1195 8.3287 8.3287 8.5581 8.5581 8.7256 8.7256 9.1554 9.1554 10.1264 10.1264 10.6012 10.6012 11.1541 11.1541 11.8838 11.8838 18.6768 18.6768 19.3632 19.3632 21.6197 21.6197 k = 0.2583 0.1491-0.0000 ( 1481 PWs) bands (ev): -6.9219 -6.9219 5.0974 5.0974 5.4680 5.4680 6.0563 6.0563 7.1422 7.1422 7.6286 7.6286 8.1257 8.1257 8.3456 8.3456 8.5888 8.5888 8.7539 8.7539 9.1683 9.1683 10.1506 10.1506 10.5765 10.5765 11.2360 11.2360 11.8640 11.8640 18.7076 18.7076 19.4648 19.4648 21.4269 21.4269 k = 0.2667 0.1540-0.0000 ( 1485 PWs) bands (ev): -6.9092 -6.9092 5.0687 5.0687 5.4880 5.4880 6.0471 6.0471 7.1134 7.1134 7.6278 7.6278 8.1309 8.1309 8.3647 8.3647 8.6202 8.6202 8.7825 8.7825 9.1809 9.1809 10.1678 10.1678 10.5516 10.5516 11.3279 11.3279 11.8434 11.8434 18.7386 18.7386 19.5529 19.5529 21.2495 21.2495 k = 0.2750 0.1588-0.0000 ( 1485 PWs) bands (ev): -6.8965 -6.8965 5.0411 5.0411 5.5064 5.5064 6.0375 6.0375 7.0852 7.0852 7.6283 7.6283 8.1351 8.1351 8.3859 8.3859 8.6522 8.6522 8.8114 8.8114 9.1933 9.1933 10.1777 10.1777 10.5290 10.5290 11.4273 11.4273 11.8223 11.8223 18.7697 18.7697 19.6204 19.6204 21.0948 21.0948 k = 0.2833 0.1636-0.0000 ( 1485 PWs) bands (ev): -6.8840 -6.8840 5.0144 5.0144 5.5234 5.5234 6.0277 6.0277 7.0578 7.0578 7.6300 7.6300 8.1385 8.1385 8.4092 8.4092 8.6846 8.6846 8.8405 8.8405 9.2056 9.2056 10.1803 10.1803 10.5103 10.5103 11.5322 11.5322 11.8012 11.8012 18.8009 18.8009 19.6571 19.6571 20.9729 20.9729 k = 0.2917 0.1684-0.0000 ( 1485 PWs) bands (ev): -6.8716 -6.8716 4.9889 4.9889 5.5386 5.5386 6.0177 6.0177 7.0311 7.0311 7.6329 7.6329 8.1413 8.1413 8.4343 8.4343 8.7175 8.7175 8.8696 8.8696 9.2178 9.2178 10.1760 10.1760 10.4965 10.4965 11.6394 11.6394 11.7821 11.7821 18.8316 18.8316 19.6519 19.6519 20.8951 20.8951 k = 0.3000 0.1732-0.0000 ( 1481 PWs) bands (ev): -6.8593 -6.8593 4.9644 4.9644 5.5522 5.5522 6.0077 6.0077 7.0052 7.0052 7.6367 7.6367 8.1437 8.1437 8.4611 8.4611 8.7506 8.7506 8.8987 8.8987 9.2302 9.2302 10.1656 10.1656 10.4871 10.4871 11.7225 11.7225 11.7908 11.7908 18.8614 18.8614 19.5993 19.5993 20.8673 20.8673 k = 0.3083 0.1780-0.0000 ( 1481 PWs) bands (ev): -6.8473 -6.8473 4.9410 4.9410 5.5642 5.5642 5.9976 5.9976 6.9799 6.9799 7.6415 7.6415 8.1458 8.1458 8.4894 8.4894 8.7837 8.7837 8.9276 8.9276 9.2425 9.2425 10.1505 10.1505 10.4817 10.4817 11.7185 11.7185 11.8895 11.8895 18.8889 18.8889 19.5047 19.5047 20.8853 20.8853 k = 0.3167 0.1828-0.0000 ( 1489 PWs) bands (ev): -6.8355 -6.8355 4.9187 4.9187 5.5744 5.5744 5.9873 5.9873 6.9555 6.9555 7.6466 7.6466 8.1478 8.1478 8.5186 8.5186 8.8167 8.8167 8.9561 8.9561 9.2550 9.2550 10.1322 10.1322 10.4789 10.4789 11.6965 11.6965 12.0089 12.0089 18.9108 18.9108 19.3826 19.3826 20.9378 20.9378 k = 0.3250 0.1876-0.0000 ( 1489 PWs) bands (ev): -6.8239 -6.8239 4.8974 4.8974 5.5832 5.5832 5.9772 5.9772 6.9321 6.9321 7.6523 7.6523 8.1500 8.1500 8.5490 8.5490 8.8495 8.8495 8.9842 8.9842 9.2680 9.2680 10.1120 10.1120 10.4779 10.4779 11.6721 11.6721 12.1332 12.1332 18.9167 18.9167 19.2546 19.2546 21.0131 21.0131 k = 0.3333 0.1925-0.0000 ( 1499 PWs) bands (ev): -6.8127 -6.8127 4.8773 4.8773 5.5903 5.5903 5.9672 5.9672 6.9094 6.9094 7.6580 7.6580 8.1525 8.1525 8.5800 8.5800 8.8817 8.8817 9.0116 9.0116 9.2815 9.2815 10.0908 10.0908 10.4777 10.4777 11.6467 11.6467 12.2607 12.2607 18.8764 18.8764 19.1595 19.1595 21.1025 21.1025 k = 0.3417 0.1973-0.0000 ( 1499 PWs) bands (ev): -6.8018 -6.8018 4.8582 4.8582 5.5961 5.5961 5.9573 5.9573 6.8878 6.8878 7.6638 7.6638 8.1554 8.1554 8.6117 8.6117 8.9133 8.9133 9.0383 9.0383 9.2958 9.2958 10.0697 10.0697 10.4779 10.4779 11.6207 11.6207 12.3909 12.3909 18.7622 18.7622 19.1305 19.1305 21.2000 21.2000 k = 0.3500 0.2021-0.0000 ( 1499 PWs) bands (ev): -6.7912 -6.7912 4.8403 4.8403 5.6006 5.6006 5.9477 5.9477 6.8671 6.8671 7.6692 7.6692 8.1588 8.1588 8.6438 8.6438 8.9441 8.9441 9.0640 9.0640 9.3110 9.3110 10.0490 10.0490 10.4780 10.4780 11.5944 11.5944 12.5235 12.5235 18.6039 18.6039 19.1413 19.1413 21.3017 21.3017 k = 0.3583 0.2069-0.0000 ( 1499 PWs) bands (ev): -6.7811 -6.7811 4.8234 4.8234 5.6040 5.6040 5.9383 5.9383 6.8473 6.8473 7.6743 7.6743 8.1628 8.1628 8.6762 8.6762 8.9737 8.9737 9.0886 9.0886 9.3273 9.3273 10.0293 10.0293 10.4776 10.4776 11.5680 11.5680 12.6581 12.6581 18.4292 18.4292 19.1663 19.1663 21.4049 21.4049 k = 0.3667 0.2117-0.0000 ( 1499 PWs) bands (ev): -6.7713 -6.7713 4.8075 4.8075 5.6064 5.6064 5.9292 5.9292 6.8286 6.8286 7.6788 7.6788 8.1673 8.1673 8.7085 8.7085 9.0019 9.0019 9.1118 9.1118 9.3450 9.3450 10.0106 10.0106 10.4768 10.4768 11.5415 11.5415 12.7947 12.7947 18.2480 18.2480 19.1969 19.1969 21.5072 21.5072 k = 0.3750 0.2165-0.0000 ( 1499 PWs) bands (ev): -6.7620 -6.7620 4.7928 4.7928 5.6078 5.6078 5.9205 5.9205 6.8108 6.8108 7.6825 7.6825 8.1723 8.1723 8.7407 8.7407 9.0285 9.0285 9.1336 9.1336 9.3640 9.3640 9.9933 9.9933 10.4752 10.4752 11.5152 11.5152 12.9331 12.9331 18.0643 18.0643 19.2302 19.2302 21.6066 21.6066 k = 0.3833 0.2213-0.0000 ( 1497 PWs) bands (ev): -6.7532 -6.7532 4.7790 4.7790 5.6086 5.6086 5.9121 5.9121 6.7941 6.7941 7.6856 7.6856 8.1778 8.1778 8.7724 8.7724 9.0532 9.0532 9.1539 9.1539 9.3845 9.3845 9.9775 9.9775 10.4729 10.4729 11.4892 11.4892 13.0731 13.0731 17.8798 17.8798 19.2649 19.2649 21.7006 21.7006 k = 0.3917 0.2261-0.0000 ( 1489 PWs) bands (ev): -6.7449 -6.7449 4.7664 4.7664 5.6087 5.6087 5.9041 5.9041 6.7787 6.7787 7.6881 7.6881 8.1836 8.1836 8.8036 8.8036 9.0758 9.0758 9.1729 9.1729 9.4064 9.4064 9.9629 9.9629 10.4700 10.4700 11.4638 11.4638 13.2146 13.2146 17.6958 17.6958 19.3004 19.3004 21.7862 21.7862 k = 0.4000 0.2309-0.0000 ( 1487 PWs) bands (ev): -6.7371 -6.7371 4.7547 4.7547 5.6083 5.6083 5.8966 5.8966 6.7641 6.7641 7.6897 7.6897 8.1897 8.1897 8.8340 8.8340 9.0959 9.0959 9.1905 9.1905 9.4294 9.4294 9.9498 9.9498 10.4663 10.4663 11.4389 11.4389 13.3574 13.3574 17.5128 17.5128 19.3361 19.3361 21.8593 21.8593 k = 0.4083 0.2358-0.0000 ( 1487 PWs) bands (ev): -6.7298 -6.7298 4.7439 4.7439 5.6074 5.6074 5.8896 5.8896 6.7505 6.7505 7.6907 7.6907 8.1958 8.1958 8.8634 8.8634 9.1134 9.1134 9.2071 9.2071 9.4531 9.4531 9.9380 9.9380 10.4620 10.4620 11.4150 11.4150 13.5013 13.5013 17.3314 17.3314 19.3718 19.3718 21.9148 21.9148 k = 0.4167 0.2406-0.0000 ( 1491 PWs) bands (ev): -6.7231 -6.7231 4.7342 4.7342 5.6063 5.6063 5.8831 5.8831 6.7380 6.7380 7.6910 7.6910 8.2019 8.2019 8.8915 8.8915 9.1283 9.1283 9.2227 9.2227 9.4771 9.4771 9.9275 9.9275 10.4571 10.4571 11.3920 11.3920 13.6460 13.6460 17.1522 17.1522 19.4071 19.4071 21.9474 21.9474 k = 0.4250 0.2454-0.0000 ( 1491 PWs) bands (ev): -6.7170 -6.7170 4.7254 4.7254 5.6049 5.6049 5.8771 5.8771 6.7267 6.7267 7.6909 7.6909 8.2078 8.2078 8.9182 8.9182 9.1406 9.1406 9.2374 9.2374 9.5010 9.5010 9.9183 9.9183 10.4519 10.4519 11.3704 11.3704 13.7912 13.7912 16.9755 16.9755 19.4416 19.4416 21.9538 21.9538 k = 0.4333 0.2502-0.0000 ( 1491 PWs) bands (ev): -6.7114 -6.7114 4.7176 4.7176 5.6035 5.6035 5.8717 5.8717 6.7165 6.7165 7.6905 7.6905 8.2134 8.2134 8.9432 8.9432 9.1504 9.1504 9.2512 9.2512 9.5244 9.5244 9.9102 9.9102 10.4464 10.4464 11.3503 11.3503 13.9365 13.9365 16.8019 16.8019 19.4748 19.4748 21.9361 21.9361 k = 0.4417 0.2550-0.0000 ( 1491 PWs) bands (ev): -6.7065 -6.7065 4.7108 4.7108 5.6021 5.6021 5.8668 5.8668 6.7075 6.7075 7.6898 7.6898 8.2186 8.2186 8.9664 8.9664 9.1579 9.1579 9.2639 9.2639 9.5465 9.5465 9.9033 9.9033 10.4409 10.4409 11.3318 11.3318 14.0812 14.0812 16.6321 16.6321 19.5064 19.5064 21.9007 21.9007 k = 0.4500 0.2598-0.0000 ( 1491 PWs) bands (ev): -6.7022 -6.7022 4.7048 4.7048 5.6007 5.6007 5.8626 5.8626 6.6997 6.6997 7.6890 7.6890 8.2233 8.2233 8.9874 8.9874 9.1633 9.1633 9.2754 9.2754 9.5671 9.5671 9.8973 9.8973 10.4354 10.4354 11.3153 11.3153 14.2244 14.2244 16.4672 16.4672 19.5356 19.5356 21.8558 21.8558 k = 0.4583 0.2646-0.0000 ( 1479 PWs) bands (ev): -6.6986 -6.6986 4.6999 4.6999 5.5996 5.5996 5.8592 5.8592 6.6930 6.6930 7.6881 7.6881 8.2276 8.2276 9.0063 9.0063 9.1671 9.1671 9.2856 9.2856 9.5855 9.5855 9.8924 9.8924 10.4304 10.4304 11.3011 11.3011 14.3644 14.3644 16.3087 16.3087 19.5620 19.5620 21.8085 21.8085 k = 0.4667 0.2694-0.0000 ( 1477 PWs) bands (ev): -6.6956 -6.6956 4.6958 4.6958 5.5985 5.5985 5.8562 5.8562 6.6876 6.6876 7.6873 7.6873 8.2310 8.2310 9.0223 9.0223 9.1695 9.1695 9.2941 9.2941 9.6014 9.6014 9.8884 9.8884 10.4259 10.4259 11.2890 11.2890 14.4988 14.4988 16.1593 16.1593 19.5848 19.5848 21.7642 21.7642 k = 0.4750 0.2742-0.0000 ( 1473 PWs) bands (ev): -6.6933 -6.6933 4.6927 4.6927 5.5976 5.5976 5.8539 5.8539 6.6834 6.6834 7.6866 7.6866 8.2338 8.2338 9.0353 9.0353 9.1707 9.1707 9.3010 9.3010 9.6143 9.6143 9.8854 9.8854 10.4221 10.4221 11.2795 11.2795 14.6228 14.6228 16.0236 16.0236 19.6034 19.6034 21.7264 21.7264 k = 0.4833 0.2791-0.0000 ( 1481 PWs) bands (ev): -6.6916 -6.6916 4.6904 4.6904 5.5969 5.5969 5.8521 5.8521 6.6803 6.6803 7.6860 7.6860 8.2357 8.2357 9.0448 9.0448 9.1711 9.1711 9.3058 9.3058 9.6236 9.6236 9.8831 9.8831 10.4192 10.4192 11.2725 11.2725 14.7287 14.7287 15.9093 15.9093 19.6172 19.6172 21.6978 21.6978 k = 0.4917 0.2839-0.0000 ( 1484 PWs) bands (ev): -6.6906 -6.6906 4.6891 4.6891 5.5965 5.5965 5.8511 5.8511 6.6784 6.6784 7.6856 7.6856 8.2369 8.2369 9.0508 9.0508 9.1711 9.1711 9.3088 9.3088 9.6294 9.6294 9.8818 9.8818 10.4174 10.4174 11.2683 11.2683 14.8034 14.8034 15.8295 15.8295 19.6257 19.6257 21.6800 21.6800 k = 0.5000 0.2887-0.0000 ( 1484 PWs) bands (ev): -6.6902 -6.6902 4.6886 4.6886 5.5963 5.5963 5.8507 5.8507 6.6778 6.6778 7.6855 7.6855 8.2373 8.2373 9.0528 9.0528 9.1711 9.1711 9.3098 9.3098 9.6313 9.6313 9.8814 9.8814 10.4168 10.4168 11.2669 11.2669 14.8310 14.8310 15.8002 15.8002 19.6286 19.6286 21.6739 21.6739 k = 0.5000 0.2887-0.0000 ( 1484 PWs) bands (ev): -6.6902 -6.6902 4.6886 4.6886 5.5963 5.5963 5.8507 5.8507 6.6778 6.6778 7.6855 7.6855 8.2373 8.2373 9.0528 9.0528 9.1711 9.1711 9.3098 9.3098 9.6313 9.6313 9.8814 9.8814 10.4168 10.4168 11.2669 11.2669 14.8310 14.8310 15.8002 15.8002 19.6286 19.6286 21.6739 21.6739 k = 0.4952 0.2969-0.0000 ( 1484 PWs) bands (ev): -6.6901 -6.6901 4.6894 4.6894 5.5967 5.5967 5.8501 5.8501 6.6788 6.6788 7.6851 7.6851 8.2367 8.2367 9.0515 9.0515 9.1689 9.1689 9.3092 9.3092 9.6294 9.6294 9.8838 9.8838 10.4212 10.4212 11.2643 11.2643 14.8347 14.8347 15.8014 15.8014 19.6298 19.6298 21.6743 21.6743 k = 0.4905 0.3052-0.0000 ( 1484 PWs) bands (ev): -6.6898 -6.6898 4.6917 4.6917 5.5979 5.5979 5.8480 5.8480 6.6819 6.6819 7.6841 7.6841 8.2346 8.2346 9.0475 9.0475 9.1627 9.1627 9.3075 9.3075 9.6241 9.6241 9.8907 9.8907 10.4342 10.4342 11.2565 11.2565 14.8459 14.8459 15.8050 15.8050 19.6334 19.6334 21.6756 21.6756 k = 0.4857 0.3134-0.0000 ( 1476 PWs) bands (ev): -6.6894 -6.6894 4.6956 4.6956 5.5999 5.5999 5.8447 5.8447 6.6872 6.6872 7.6825 7.6825 8.2311 8.2311 9.0403 9.0403 9.1534 9.1534 9.3050 9.3050 9.6164 9.6164 9.9006 9.9006 10.4556 10.4556 11.2437 11.2437 14.8643 14.8643 15.8110 15.8110 19.6393 19.6393 21.6776 21.6776 k = 0.4810 0.3217-0.0000 ( 1482 PWs) bands (ev): -6.6887 -6.6887 4.7009 4.7009 5.6026 5.6026 5.8401 5.8401 6.6941 6.6941 7.6801 7.6801 8.2259 8.2259 9.0290 9.0290 9.1425 9.1425 9.3015 9.3015 9.6074 9.6074 9.9120 9.9120 10.4848 10.4848 11.2261 11.2261 14.8898 14.8898 15.8194 15.8194 19.6476 19.6476 21.6804 21.6804 k = 0.4762 0.3299-0.0000 ( 1482 PWs) bands (ev): -6.6878 -6.6878 4.7078 4.7078 5.6060 5.6060 5.8343 5.8343 6.7031 6.7031 7.6770 7.6770 8.2190 8.2190 9.0132 9.0132 9.1317 9.1317 9.2975 9.2975 9.5979 9.5979 9.9237 9.9237 10.5210 10.5210 11.2040 11.2040 14.9222 14.9222 15.8303 15.8303 19.6582 19.6582 21.6839 21.6839 k = 0.4714 0.3382-0.0000 ( 1482 PWs) bands (ev): -6.6868 -6.6868 4.7161 4.7161 5.6101 5.6101 5.8274 5.8274 6.7139 6.7139 7.6732 7.6732 8.2102 8.2102 8.9929 8.9929 9.1224 9.1224 9.2930 9.2930 9.5886 9.5886 9.9348 9.9348 10.5635 10.5635 11.1778 11.1778 14.9611 14.9611 15.8436 15.8436 19.6711 19.6711 21.6881 21.6881 k = 0.4667 0.3464-0.0000 ( 1478 PWs) bands (ev): -6.6856 -6.6856 4.7258 4.7258 5.6149 5.6149 5.8195 5.8195 6.7265 6.7265 7.6687 7.6687 8.1994 8.1994 8.9692 8.9692 9.1147 9.1147 9.2881 9.2881 9.5796 9.5796 9.9449 9.9449 10.6111 10.6111 11.1480 11.1480 15.0061 15.0061 15.8595 15.8595 19.6863 19.6863 21.6927 21.6927 k = 0.4619 0.3547-0.0000 ( 1478 PWs) bands (ev): -6.6842 -6.6842 4.7368 4.7368 5.6201 5.6201 5.8108 5.8108 6.7408 6.7408 7.6636 7.6636 8.1861 8.1861 8.9433 8.9433 9.1086 9.1086 9.2829 9.2829 9.5709 9.5709 9.9539 9.9539 10.6626 10.6626 11.1150 11.1150 15.0570 15.0570 15.8778 15.8778 19.7038 19.7038 21.6977 21.6977 k = 0.4571 0.3629-0.0000 ( 1478 PWs) bands (ev): -6.6827 -6.6827 4.7492 4.7492 5.6257 5.6257 5.8013 5.8013 6.7567 6.7567 7.6578 7.6578 8.1703 8.1703 8.9168 8.9168 9.1035 9.1035 9.2772 9.2772 9.5627 9.5627 9.9617 9.9617 10.7168 10.7168 11.0797 11.0797 15.1134 15.1134 15.8987 15.8987 19.7235 19.7235 21.7029 21.7029 k = 0.4524 0.3712-0.0000 ( 1476 PWs) bands (ev): -6.6810 -6.6810 4.7627 4.7627 5.6315 5.6315 5.7915 5.7915 6.7742 6.7742 7.6513 7.6513 8.1518 8.1518 8.8911 8.8911 9.0992 9.0992 9.2713 9.2713 9.5549 9.5549 9.9685 9.9685 10.7718 10.7718 11.0435 11.0435 15.1747 15.1747 15.9223 15.9223 19.7454 19.7454 21.7081 21.7081 k = 0.4476 0.3794-0.0000 ( 1476 PWs) bands (ev): -6.6791 -6.6791 4.7775 4.7775 5.6371 5.6371 5.7815 5.7815 6.7930 6.7930 7.6442 7.6442 8.1305 8.1305 8.8670 8.8670 9.0954 9.0954 9.2650 9.2650 9.5473 9.5473 9.9742 9.9742 10.8241 10.8241 11.0096 11.0096 15.2408 15.2408 15.9485 15.9485 19.7694 19.7694 21.7129 21.7129 k = 0.4429 0.3876-0.0000 ( 1476 PWs) bands (ev): -6.6772 -6.6772 4.7933 4.7933 5.6422 5.6422 5.7719 5.7719 6.8131 6.8131 7.6364 7.6364 8.1064 8.1064 8.8453 8.8453 9.0920 9.0920 9.2585 9.2585 9.5400 9.5400 9.9791 9.9791 10.8622 10.8622 10.9892 10.9892 15.3111 15.3111 15.9774 15.9774 19.7954 19.7954 21.7168 21.7168 k = 0.4381 0.3959-0.0000 ( 1478 PWs) bands (ev): -6.6751 -6.6751 4.8101 4.8101 5.6459 5.6459 5.7634 5.7634 6.8343 6.8343 7.6280 7.6280 8.0798 8.0798 8.8265 8.8265 9.0887 9.0887 9.2518 9.2518 9.5329 9.5329 9.9833 9.9833 10.8620 10.8620 11.0061 11.0061 15.3854 15.3854 16.0091 16.0091 19.8235 19.8235 21.7189 21.7189 k = 0.4333 0.4041-0.0000 ( 1478 PWs) bands (ev): -6.6730 -6.6730 4.8278 4.8278 5.6474 5.6474 5.7570 5.7570 6.8566 6.8566 7.6190 7.6190 8.0508 8.0508 8.8108 8.8108 9.0856 9.0856 9.2450 9.2450 9.5261 9.5261 9.9867 9.9867 10.8309 10.8309 11.0529 11.0529 15.4633 15.4633 16.0436 16.0436 19.8536 19.8536 21.7170 21.7170 k = 0.4286 0.4124-0.0000 ( 1482 PWs) bands (ev): -6.6707 -6.6707 4.8464 4.8464 5.6456 5.6456 5.7536 5.7536 6.8798 6.8798 7.6094 7.6094 8.0198 8.0198 8.7981 8.7981 9.0825 9.0825 9.2381 9.2381 9.5194 9.5194 9.9896 9.9896 10.7895 10.7895 11.1088 11.1088 15.5444 15.5444 16.0810 16.0810 19.8855 19.8855 21.7041 21.7041 k = 0.4238 0.4206-0.0000 ( 1482 PWs) bands (ev): -6.6684 -6.6684 4.8657 4.8657 5.6400 5.6400 5.7538 5.7538 6.9037 6.9037 7.5994 7.5994 7.9873 7.9873 8.7884 8.7884 9.0795 9.0795 9.2313 9.2313 9.5129 9.5129 9.9919 9.9919 10.7447 10.7447 11.1670 11.1670 15.6286 15.6286 16.1214 16.1214 19.9192 19.9192 21.6465 21.6465 k = 0.4190 0.4289-0.0000 ( 1478 PWs) bands (ev): -6.6660 -6.6660 4.8857 4.8857 5.6308 5.6308 5.7575 5.7575 6.9284 6.9284 7.5888 7.5888 7.9538 7.9538 8.7816 8.7816 9.0765 9.0765 9.2246 9.2246 9.5066 9.5066 9.9938 9.9938 10.6986 10.6986 11.2252 11.2252 15.7155 15.7155 16.1647 16.1647 19.9544 19.9544 21.4890 21.4890 k = 0.4143 0.4371-0.0000 ( 1474 PWs) bands (ev): -6.6636 -6.6636 4.9062 4.9062 5.6186 5.6186 5.7639 5.7639 6.9536 6.9536 7.5779 7.5779 7.9197 7.9197 8.7774 8.7774 9.0735 9.0735 9.2180 9.2180 9.5005 9.5005 9.9954 9.9954 10.6521 10.6521 11.2825 11.2825 15.8050 15.8050 16.2111 16.2111 19.9909 19.9909 21.2835 21.2835 k = 0.4095 0.4454-0.0000 ( 1474 PWs) bands (ev): -6.6611 -6.6611 4.9273 4.9273 5.6041 5.6041 5.7722 5.7722 6.9791 6.9791 7.5665 7.5665 7.8854 7.8854 8.7754 8.7754 9.0705 9.0705 9.2116 9.2116 9.4945 9.4945 9.9966 9.9966 10.6057 10.6057 11.3382 11.3382 15.8966 15.8966 16.2606 16.2606 20.0279 20.0279 21.0680 21.0680 k = 0.4048 0.4536-0.0000 ( 1470 PWs) bands (ev): -6.6587 -6.6587 4.9487 4.9487 5.5880 5.5880 5.7818 5.7818 7.0050 7.0050 7.5549 7.5549 7.8515 7.8515 8.7755 8.7755 9.0675 9.0675 9.2054 9.2054 9.4888 9.4888 9.9976 9.9976 10.5599 10.5599 11.3920 11.3920 15.9904 15.9904 16.3132 16.3132 20.0641 20.0641 20.8520 20.8520 k = 0.4000 0.4619-0.0000 ( 1470 PWs) bands (ev): -6.6563 -6.6563 4.9705 4.9705 5.5706 5.5706 5.7921 5.7921 7.0308 7.0308 7.5430 7.5430 7.8183 7.8183 8.7771 8.7771 9.0645 9.0645 9.1994 9.1994 9.4833 9.4833 9.9985 9.9985 10.5150 10.5150 11.4434 11.4434 16.0860 16.0860 16.3689 16.3689 20.0951 20.0951 20.6418 20.6418 k = 0.3952 0.4701-0.0000 ( 1470 PWs) bands (ev): -6.6539 -6.6539 4.9925 4.9925 5.5522 5.5522 5.8027 5.8027 7.0565 7.0565 7.5310 7.5310 7.7863 7.7863 8.7802 8.7802 9.0617 9.0617 9.1937 9.1937 9.4780 9.4780 9.9993 9.9993 10.4712 10.4712 11.4922 11.4922 16.1833 16.1833 16.4279 16.4279 20.1050 20.1050 20.4545 20.4545 k = 0.3905 0.4784-0.0000 ( 1468 PWs) bands (ev): -6.6515 -6.6515 5.0147 5.0147 5.5332 5.5332 5.8134 5.8134 7.0820 7.0820 7.5188 7.5188 7.7556 7.7556 8.7845 8.7845 9.0590 9.0590 9.1882 9.1882 9.4730 9.4730 10.0001 10.0001 10.4289 10.4289 11.5382 11.5382 16.2821 16.2821 16.4901 16.4901 20.0387 20.0387 20.3457 20.3457 k = 0.3857 0.4866-0.0000 ( 1468 PWs) bands (ev): -6.6492 -6.6492 5.0370 5.0370 5.5136 5.5136 5.8238 5.8238 7.1069 7.1069 7.5067 7.5067 7.7268 7.7268 8.7896 8.7896 9.0567 9.0567 9.1830 9.1830 9.4682 9.4682 10.0010 10.0010 10.3883 10.3883 11.5810 11.5810 16.3822 16.3822 16.5556 16.5556 19.8725 19.8725 20.3396 20.3396 k = 0.3810 0.4949-0.0000 ( 1468 PWs) bands (ev): -6.6471 -6.6471 5.0593 5.0593 5.4936 5.4936 5.8339 5.8339 7.1312 7.1312 7.4947 7.4947 7.6998 7.6998 8.7954 8.7954 9.0548 9.0548 9.1779 9.1779 9.4638 9.4638 10.0023 10.0023 10.3494 10.3494 11.6206 11.6206 16.4834 16.4834 16.6245 16.6245 19.6690 19.6690 20.3735 20.3735 k = 0.3762 0.5031-0.0000 ( 1472 PWs) bands (ev): -6.6450 -6.6450 5.0816 5.0816 5.4732 5.4732 5.8433 5.8433 7.1545 7.1545 7.4829 7.4829 7.6751 7.6751 8.8014 8.8014 9.0533 9.0533 9.1729 9.1729 9.4597 9.4597 10.0039 10.0039 10.3125 10.3125 11.6568 11.6568 16.5856 16.5856 16.6968 16.6968 19.4556 19.4556 20.4205 20.4205 k = 0.3714 0.5114-0.0000 ( 1472 PWs) bands (ev): -6.6431 -6.6431 5.1038 5.1038 5.4526 5.4526 5.8521 5.8521 7.1766 7.1766 7.4717 7.4717 7.6527 7.6527 8.8076 8.8076 9.0526 9.0526 9.1681 9.1681 9.4559 9.4559 10.0059 10.0059 10.2778 10.2778 11.6894 11.6894 16.6882 16.6882 16.7728 16.7728 19.2393 19.2393 20.4737 20.4737 k = 0.3667 0.5196-0.0000 ( 1468 PWs) bands (ev): -6.6413 -6.6413 5.1258 5.1258 5.4320 5.4320 5.8600 5.8600 7.1972 7.1972 7.4613 7.4613 7.6328 7.6328 8.8136 8.8136 9.0527 9.0527 9.1635 9.1635 9.4526 9.4526 10.0086 10.0086 10.2454 10.2454 11.7183 11.7183 16.7906 16.7906 16.8530 16.8530 19.0223 19.0223 20.5310 20.5310 k = 0.3619 0.5279-0.0000 ( 1468 PWs) bands (ev): -6.6397 -6.6397 5.1476 5.1476 5.4112 5.4112 5.8668 5.8668 7.2158 7.2158 7.4518 7.4518 7.6154 7.6154 8.8192 8.8192 9.0535 9.0535 9.1590 9.1590 9.4497 9.4497 10.0121 10.0121 10.2154 10.2154 11.7434 11.7434 16.8911 16.8911 16.9390 16.9390 18.8056 18.8056 20.5915 20.5915 k = 0.3571 0.5361-0.0000 ( 1464 PWs) bands (ev): -6.6383 -6.6383 5.1691 5.1691 5.3906 5.3906 5.8726 5.8726 7.2322 7.2322 7.4438 7.4438 7.6006 7.6006 8.8241 8.8241 9.0552 9.0552 9.1546 9.1546 9.4473 9.4473 10.0163 10.0163 10.1881 10.1881 11.7647 11.7647 16.9878 16.9878 17.0324 17.0324 18.5898 18.5898 20.6547 20.6547 k = 0.3524 0.5444-0.0000 ( 1464 PWs) bands (ev): -6.6371 -6.6371 5.1901 5.1901 5.3702 5.3702 5.8773 5.8773 7.2457 7.2457 7.4373 7.4373 7.5883 7.5883 8.8283 8.8283 9.0574 9.0574 9.1504 9.1504 9.4452 9.4452 10.0214 10.0214 10.1637 10.1637 11.7821 11.7821 17.0808 17.0808 17.1329 17.1329 18.3753 18.3753 20.7203 20.7203 k = 0.3476 0.5526-0.0000 ( 1462 PWs) bands (ev): -6.6361 -6.6361 5.2103 5.2103 5.3504 5.3504 5.8809 5.8809 7.2561 7.2561 7.4328 7.4328 7.5788 7.5788 8.8315 8.8315 9.0601 9.0601 9.1467 9.1467 9.4437 9.4437 10.0272 10.0272 10.1425 10.1425 11.7956 11.7956 17.1728 17.1728 17.2371 17.2371 18.1628 18.1628 20.7875 20.7875 k = 0.3429 0.5609-0.0000 ( 1460 PWs) bands (ev): -6.6354 -6.6354 5.2291 5.2291 5.3319 5.3319 5.8834 5.8834 7.2633 7.2633 7.4301 7.4301 7.5719 7.5719 8.8338 8.8338 9.0627 9.0627 9.1437 9.1437 9.4426 9.4426 10.0332 10.0332 10.1252 10.1252 11.8053 11.8053 17.2654 17.2654 17.3422 17.3422 17.9535 17.9535 20.8548 20.8548 k = 0.3381 0.5691-0.0000 ( 1464 PWs) bands (ev): -6.6349 -6.6349 5.2444 5.2444 5.3167 5.3167 5.8848 5.8848 7.2672 7.2672 7.4290 7.4290 7.5677 7.5677 8.8351 8.8351 9.0646 9.0646 9.1416 9.1416 9.4419 9.4419 10.0383 10.0383 10.1132 10.1132 11.8109 11.8109 17.3588 17.3588 17.4418 17.4418 17.7535 17.7535 20.9163 20.9163 k = 0.3333 0.5774-0.0000 ( 1464 PWs) bands (ev): -6.6348 -6.6348 5.2511 5.2511 5.3100 5.3100 5.8853 5.8853 7.2684 7.2684 7.4287 7.4287 7.5663 7.5663 8.8356 8.8356 9.0654 9.0654 9.1409 9.1409 9.4417 9.4417 10.0404 10.0404 10.1088 10.1088 11.8128 11.8128 17.4363 17.4363 17.4843 17.4843 17.6314 17.6314 20.9480 20.9480 k = 0.3333 0.5774-0.0000 ( 1464 PWs) bands (ev): -6.6348 -6.6348 5.2511 5.2511 5.3100 5.3100 5.8853 5.8853 7.2684 7.2684 7.4287 7.4287 7.5663 7.5663 8.8356 8.8356 9.0654 9.0654 9.1409 9.1409 9.4417 9.4417 10.0404 10.0404 10.1088 10.1088 11.8128 11.8128 17.4363 17.4363 17.4843 17.4843 17.6314 17.6314 20.9480 20.9480 k = 0.3285 0.5690-0.0000 ( 1464 PWs) bands (ev): -6.6350 -6.6350 5.2444 5.2444 5.3167 5.3167 5.8849 5.8849 7.2674 7.2674 7.4287 7.4287 7.5677 7.5677 8.8351 8.8351 9.0645 9.0645 9.1416 9.1416 9.4419 9.4419 10.0382 10.0382 10.1134 10.1134 11.8109 11.8109 17.2895 17.2895 17.5611 17.5611 17.7036 17.7036 20.9139 20.9139 k = 0.3237 0.5606-0.0000 ( 1460 PWs) bands (ev): -6.6354 -6.6354 5.2295 5.2295 5.3315 5.3315 5.8837 5.8837 7.2648 7.2648 7.4283 7.4283 7.5718 7.5718 8.8339 8.8339 9.0617 9.0617 9.1439 9.1439 9.4425 9.4425 10.0332 10.0332 10.1259 10.1259 11.8053 11.8053 17.0879 17.0879 17.6616 17.6616 17.8117 17.8117 20.8448 20.8448 k = 0.3188 0.5522-0.0000 ( 1462 PWs) bands (ev): -6.6363 -6.6363 5.2119 5.2119 5.3491 5.3491 5.8818 5.8818 7.2613 7.2613 7.4270 7.4270 7.5781 7.5781 8.8320 8.8320 9.0571 9.0571 9.1471 9.1471 9.4433 9.4433 10.0274 10.0274 10.1443 10.1443 11.7959 11.7959 16.8826 16.8826 17.7649 17.7649 17.9252 17.9252 20.7661 20.7661 k = 0.3140 0.5439-0.0000 ( 1462 PWs) bands (ev): -6.6375 -6.6375 5.1935 5.1935 5.3675 5.3675 5.8795 5.8795 7.2573 7.2573 7.4246 7.4246 7.5863 7.5863 8.8293 8.8293 9.0509 9.0509 9.1509 9.1509 9.4443 9.4443 10.0221 10.0221 10.1672 10.1672 11.7830 11.7830 16.6776 16.6776 17.8702 17.8702 18.0410 18.0410 20.6843 20.6843 k = 0.3092 0.5355-0.0000 ( 1464 PWs) bands (ev): -6.6391 -6.6391 5.1750 5.1750 5.3860 5.3860 5.8767 5.8767 7.2532 7.2532 7.4212 7.4212 7.5960 7.5960 8.8259 8.8259 9.0436 9.0436 9.1547 9.1547 9.4453 9.4453 10.0181 10.0181 10.1940 10.1940 11.7668 11.7668 16.4737 16.4737 17.9771 17.9771 18.1583 18.1583 20.6015 20.6015 k = 0.3043 0.5271-0.0000 ( 1464 PWs) bands (ev): -6.6411 -6.6411 5.1567 5.1567 5.4044 5.4044 5.8739 5.8739 7.2491 7.2491 7.4167 7.4167 7.6069 7.6069 8.8219 8.8219 9.0354 9.0354 9.1581 9.1581 9.4462 9.4462 10.0155 10.0155 10.2244 10.2244 11.7474 11.7474 16.2714 16.2714 18.0855 18.0855 18.2770 18.2770 20.5186 20.5186 k = 0.2995 0.5188-0.0000 ( 1468 PWs) bands (ev): -6.6435 -6.6435 5.1389 5.1389 5.4224 5.4224 5.8709 5.8709 7.2453 7.2453 7.4111 7.4111 7.6186 7.6186 8.8172 8.8172 9.0265 9.0265 9.1609 9.1609 9.4468 9.4468 10.0143 10.0143 10.2584 10.2584 11.7250 11.7250 16.0707 16.0707 18.1952 18.1952 18.3969 18.3969 20.4365 20.4365 k = 0.2947 0.5104-0.0000 ( 1464 PWs) bands (ev): -6.6463 -6.6463 5.1216 5.1216 5.4400 5.4400 5.8682 5.8682 7.2420 7.2420 7.4047 7.4047 7.6310 7.6310 8.8119 8.8119 9.0171 9.0171 9.1628 9.1628 9.4471 9.4471 10.0147 10.0147 10.2956 10.2956 11.6998 11.6998 15.8719 15.8719 18.3062 18.3062 18.5180 18.5180 20.3555 20.3555 k = 0.2899 0.5020-0.0000 ( 1468 PWs) bands (ev): -6.6496 -6.6496 5.1049 5.1049 5.4570 5.4570 5.8657 5.8657 7.2390 7.2390 7.3973 7.3973 7.6438 7.6438 8.8058 8.8058 9.0073 9.0073 9.1637 9.1637 9.4468 9.4468 10.0164 10.0164 10.3359 10.3359 11.6721 11.6721 15.6750 15.6750 18.4183 18.4183 18.6403 18.6403 20.2761 20.2761 k = 0.2850 0.4937-0.0000 ( 1468 PWs) bands (ev): -6.6533 -6.6533 5.0890 5.0890 5.4735 5.4735 5.8636 5.8636 7.2368 7.2368 7.3891 7.3891 7.6570 7.6570 8.7989 8.7989 8.9973 8.9973 9.1635 9.1635 9.4458 9.4458 10.0195 10.0195 10.3791 10.3791 11.6421 11.6421 15.4800 15.4800 18.5313 18.5313 18.7637 18.7637 20.1984 20.1984 k = 0.2802 0.4853-0.0000 ( 1480 PWs) bands (ev): -6.6574 -6.6574 5.0739 5.0739 5.4892 5.4892 5.8620 5.8620 7.2350 7.2350 7.3800 7.3800 7.6703 7.6703 8.7912 8.7912 8.9869 8.9869 9.1621 9.1621 9.4438 9.4438 10.0237 10.0237 10.4249 10.4249 11.6100 11.6100 15.2871 15.2871 18.6452 18.6452 18.8883 18.8883 20.1228 20.1228 k = 0.2754 0.4769-0.0000 ( 1480 PWs) bands (ev): -6.6620 -6.6620 5.0596 5.0596 5.5042 5.5042 5.8611 5.8611 7.2340 7.2340 7.3703 7.3703 7.6841 7.6841 8.7827 8.7827 8.9765 8.9765 9.1596 9.1596 9.4411 9.4411 10.0292 10.0292 10.4732 10.4732 11.5762 11.5762 15.0962 15.0962 18.7599 18.7599 19.0141 19.0141 20.0494 20.0494 k = 0.2705 0.4686-0.0000 ( 1480 PWs) bands (ev): -6.6671 -6.6671 5.0463 5.0463 5.5185 5.5185 5.8610 5.8610 7.2338 7.2338 7.3600 7.3600 7.6981 7.6981 8.7733 8.7733 8.9660 8.9660 9.1560 9.1560 9.4373 9.4373 10.0359 10.0359 10.5236 10.5236 11.5409 11.5409 14.9074 14.9074 18.8752 18.8752 19.1408 19.1408 19.9786 19.9786 k = 0.2657 0.4602-0.0000 ( 1480 PWs) bands (ev): -6.6726 -6.6726 5.0340 5.0340 5.5319 5.5319 5.8615 5.8615 7.2342 7.2342 7.3493 7.3493 7.7124 7.7124 8.7630 8.7630 8.9552 8.9552 9.1512 9.1512 9.4325 9.4325 10.0436 10.0436 10.5758 10.5758 11.5044 11.5044 14.7207 14.7207 18.9909 18.9909 19.2685 19.2685 19.9107 19.9107 k = 0.2609 0.4518-0.0000 ( 1484 PWs) bands (ev): -6.6786 -6.6786 5.0227 5.0227 5.5444 5.5444 5.8629 5.8629 7.2353 7.2353 7.3380 7.3380 7.7270 7.7270 8.7517 8.7517 8.9442 8.9442 9.1454 9.1454 9.4264 9.4264 10.0524 10.0524 10.6294 10.6294 11.4670 11.4670 14.5363 14.5363 19.1068 19.1068 19.3964 19.3964 19.8464 19.8464 k = 0.2560 0.4435-0.0000 ( 1488 PWs) bands (ev): -6.6850 -6.6850 5.0126 5.0126 5.5559 5.5559 5.8651 5.8651 7.2371 7.2371 7.3266 7.3266 7.7418 7.7418 8.7395 8.7395 8.9328 8.9328 9.1387 9.1387 9.4191 9.4191 10.0622 10.0622 10.6841 10.6841 11.4290 11.4290 14.3540 14.3540 19.2222 19.2222 19.5229 19.5229 19.7882 19.7882 k = 0.2512 0.4351-0.0000 ( 1488 PWs) bands (ev): -6.6919 -6.6919 5.0036 5.0036 5.5666 5.5666 5.8681 5.8681 7.2395 7.2395 7.3154 7.3154 7.7568 7.7568 8.7265 8.7265 8.9210 8.9210 9.1311 9.1311 9.4104 9.4104 10.0730 10.0730 10.7395 10.7395 11.3909 11.3909 14.1740 14.1740 19.3353 19.3353 19.6351 19.6351 19.7505 19.7505 k = 0.2464 0.4267-0.0000 ( 1488 PWs) bands (ev): -6.6992 -6.6992 4.9958 4.9958 5.5763 5.5763 5.8718 5.8718 7.2422 7.2422 7.3046 7.3046 7.7720 7.7720 8.7127 8.7127 8.9086 8.9086 9.1227 9.1227 9.4005 9.4005 10.0848 10.0848 10.7951 10.7951 11.3528 11.3528 13.9962 13.9962 19.4387 19.4387 19.6590 19.6590 19.8143 19.8143 k = 0.2415 0.4184-0.0000 ( 1492 PWs) bands (ev): -6.7070 -6.7070 4.9894 4.9894 5.5850 5.5850 5.8761 5.8761 7.2449 7.2449 7.2948 7.2948 7.7874 7.7874 8.6981 8.6981 8.8951 8.8951 9.1138 9.1138 9.3891 9.3891 10.0978 10.0978 10.8504 10.8504 11.3155 11.3155 13.8208 13.8208 19.4999 19.4999 19.6693 19.6693 19.9370 19.9370 k = 0.2367 0.4100-0.0000 ( 1490 PWs) bands (ev): -6.7152 -6.7152 4.9842 4.9842 5.5927 5.5927 5.8810 5.8810 7.2467 7.2467 7.2873 7.2873 7.8031 7.8031 8.6828 8.6828 8.8806 8.8806 9.1045 9.1045 9.3765 9.3765 10.1118 10.1118 10.9047 10.9047 11.2795 11.2795 13.6477 13.6477 19.4869 19.4869 19.7503 19.7503 20.0658 20.0658 k = 0.2319 0.4016-0.0000 ( 1490 PWs) bands (ev): -6.7239 -6.7239 4.9804 4.9804 5.5995 5.5995 5.8864 5.8864 7.2458 7.2458 7.2836 7.2836 7.8188 7.8188 8.6669 8.6669 8.8647 8.8647 9.0950 9.0950 9.3625 9.3625 10.1270 10.1270 10.9566 10.9566 11.2462 11.2462 13.4769 13.4769 19.4452 19.4452 19.8612 19.8612 20.1944 20.1944 k = 0.2271 0.3933-0.0000 ( 1494 PWs) bands (ev): -6.7330 -6.7330 4.9781 4.9781 5.6051 5.6051 5.8921 5.8921 7.2417 7.2417 7.2848 7.2848 7.8346 7.8346 8.6504 8.6504 8.8471 8.8471 9.0854 9.0854 9.3471 9.3471 10.1434 10.1434 11.0031 11.0031 11.2183 11.2183 13.3086 13.3086 19.3976 19.3976 19.9803 19.9803 20.3204 20.3204 k = 0.2222 0.3849-0.0000 ( 1490 PWs) bands (ev): -6.7424 -6.7424 4.9771 4.9771 5.6098 5.6098 5.8982 5.8982 7.2355 7.2355 7.2899 7.2899 7.8504 7.8504 8.6335 8.6335 8.8280 8.8280 9.0759 9.0759 9.3304 9.3304 10.1611 10.1611 11.0374 11.0374 11.2028 11.2028 13.1427 13.1427 19.3490 19.3490 20.1026 20.1026 20.4408 20.4408 k = 0.2174 0.3765-0.0000 ( 1490 PWs) bands (ev): -6.7523 -6.7523 4.9777 4.9777 5.6133 5.6133 5.9044 5.9044 7.2289 7.2289 7.2973 7.2973 7.8661 7.8661 8.6161 8.6161 8.8071 8.8071 9.0665 9.0665 9.3125 9.3125 10.1801 10.1801 11.0485 11.0485 11.2104 11.2104 12.9792 12.9792 19.3009 19.3009 20.2263 20.2263 20.5511 20.5511 k = 0.2126 0.3682-0.0000 ( 1486 PWs) bands (ev): -6.7625 -6.7625 4.9798 4.9798 5.6156 5.6156 5.9108 5.9108 7.2228 7.2228 7.3065 7.3065 7.8817 7.8817 8.5984 8.5984 8.7845 8.7845 9.0573 9.0573 9.2935 9.2935 10.2004 10.2004 11.0364 11.0364 11.2410 11.2410 12.8183 12.8183 19.2537 19.2537 20.3496 20.3496 20.6453 20.6453 k = 0.2077 0.3598-0.0000 ( 1486 PWs) bands (ev): -6.7731 -6.7731 4.9834 4.9834 5.6165 5.6165 5.9173 5.9173 7.2177 7.2177 7.3168 7.3168 7.8970 7.8970 8.5802 8.5802 8.7601 8.7601 9.0481 9.0481 9.2735 9.2735 10.2221 10.2221 11.0126 11.0126 11.2830 11.2830 12.6600 12.6600 19.2076 19.2076 20.4684 20.4684 20.7173 20.7173 k = 0.2029 0.3514-0.0000 ( 1486 PWs) bands (ev): -6.7841 -6.7841 4.9885 4.9885 5.6159 5.6159 5.9240 5.9240 7.2140 7.2140 7.3282 7.3282 7.9119 7.9119 8.5618 8.5618 8.7343 8.7343 9.0389 9.0389 9.2526 9.2526 10.2452 10.2452 10.9844 10.9844 11.3290 11.3290 12.5042 12.5042 19.1626 19.1626 20.5685 20.5685 20.7719 20.7719 k = 0.1981 0.3431-0.0000 ( 1486 PWs) bands (ev): -6.7953 -6.7953 4.9953 4.9953 5.6137 5.6137 5.9308 5.9308 7.2118 7.2118 7.3406 7.3406 7.9264 7.9264 8.5430 8.5430 8.7071 8.7071 9.0295 9.0295 9.2312 9.2312 10.2698 10.2698 10.9547 10.9547 11.3759 11.3759 12.3512 12.3512 19.1187 19.1187 20.6127 20.6127 20.8439 20.8439 k = 0.1932 0.3347-0.0000 ( 1486 PWs) bands (ev): -6.8068 -6.8068 5.0036 5.0036 5.6097 5.6097 5.9379 5.9379 7.2115 7.2115 7.3538 7.3538 7.9404 7.9404 8.5241 8.5241 8.6790 8.6790 9.0196 9.0196 9.2094 9.2094 10.2959 10.2959 10.9248 10.9248 11.4222 11.4222 12.2010 12.2010 19.0760 19.0760 20.5866 20.5866 20.9540 20.9540 k = 0.1884 0.3263-0.0000 ( 1486 PWs) bands (ev): -6.8186 -6.8186 5.0136 5.0136 5.6038 5.6038 5.9453 5.9453 7.2130 7.2130 7.3678 7.3678 7.9536 7.9536 8.5048 8.5048 8.6503 8.6503 9.0089 9.0089 9.1875 9.1875 10.3234 10.3234 10.8952 10.8952 11.4670 11.4670 12.0540 12.0540 19.0344 19.0344 20.5187 20.5187 21.0836 21.0836 k = 0.1836 0.3180-0.0000 ( 1486 PWs) bands (ev): -6.8307 -6.8307 5.0252 5.0252 5.5959 5.5959 5.9530 5.9530 7.2164 7.2164 7.3826 7.3826 7.9661 7.9661 8.4853 8.4853 8.6212 8.6212 8.9969 8.9969 9.1661 9.1661 10.3523 10.3523 10.8662 10.8662 11.5096 11.5096 11.9108 11.9108 18.9938 18.9938 20.4279 20.4279 21.2220 21.2220 k = 0.1787 0.3096-0.0000 ( 1486 PWs) bands (ev): -6.8429 -6.8429 5.0384 5.0384 5.5858 5.5858 5.9611 5.9611 7.2218 7.2218 7.3981 7.3981 7.9776 7.9776 8.4655 8.4655 8.5923 8.5923 8.9832 8.9832 9.1456 9.1456 10.3823 10.3823 10.8380 10.8380 11.5471 11.5471 11.7738 11.7738 18.9542 18.9542 20.3235 20.3235 21.3656 21.3656 k = 0.1739 0.3012-0.0000 ( 1486 PWs) bands (ev): -6.8554 -6.8554 5.0532 5.0532 5.5735 5.5735 5.9696 5.9696 7.2292 7.2292 7.4143 7.4143 7.9881 7.9881 8.4455 8.4455 8.5640 8.5640 8.9674 8.9674 9.1264 9.1264 10.4131 10.4131 10.8108 10.8108 11.5592 11.5592 11.6638 11.6638 18.9156 18.9156 20.2102 20.2102 21.5132 21.5132 k = 0.1691 0.2929-0.0000 ( 1482 PWs) bands (ev): -6.8680 -6.8680 5.0697 5.0697 5.5592 5.5592 5.9786 5.9786 7.2386 7.2386 7.4310 7.4310 7.9975 7.9975 8.4252 8.4252 8.5365 8.5365 8.9492 8.9492 9.1089 9.1089 10.4441 10.4441 10.7851 10.7851 11.4707 11.4707 11.6559 11.6559 18.8780 18.8780 20.0910 20.0910 21.6643 21.6643 k = 0.1643 0.2845-0.0000 ( 1485 PWs) bands (ev): -6.8807 -6.8807 5.0877 5.0877 5.5427 5.5427 5.9879 5.9879 7.2498 7.2498 7.4482 7.4482 8.0055 8.0055 8.4047 8.4047 8.5103 8.5103 8.9284 8.9284 9.0933 9.0933 10.4742 10.4742 10.7614 10.7614 11.3459 11.3459 11.6862 11.6862 18.8412 18.8412 19.9676 19.9676 21.8188 21.8188 k = 0.1594 0.2761-0.0000 ( 1489 PWs) bands (ev): -6.8936 -6.8936 5.1074 5.1074 5.5242 5.5242 5.9976 5.9976 7.2627 7.2627 7.4657 7.4657 8.0121 8.0121 8.3841 8.3841 8.4855 8.4855 8.9050 8.9050 9.0796 9.0796 10.5012 10.5012 10.7410 10.7410 11.2206 11.2206 11.7196 11.7196 18.8054 18.8054 19.8412 19.8412 21.9763 21.9763 k = 0.1546 0.2678-0.0000 ( 1485 PWs) bands (ev): -6.9065 -6.9065 5.1286 5.1286 5.5039 5.5039 6.0075 6.0075 7.2775 7.2775 7.4837 7.4837 8.0173 8.0173 8.3640 8.3640 8.4624 8.4624 8.8797 8.8797 9.0675 9.0675 10.5215 10.5215 10.7260 10.7260 11.1002 11.1002 11.7524 11.7524 18.7704 18.7704 19.7126 19.7126 22.1370 22.1370 k = 0.1498 0.2594-0.0000 ( 1487 PWs) bands (ev): -6.9194 -6.9194 5.1513 5.1513 5.4819 5.4819 6.0177 6.0177 7.2938 7.2938 7.5019 7.5019 8.0208 8.0208 8.3443 8.3443 8.4408 8.4408 8.8526 8.8526 9.0565 9.0565 10.5293 10.5293 10.7180 10.7180 10.9896 10.9896 11.7838 11.7838 18.7363 18.7363 19.5826 19.5826 22.3006 22.3006 k = 0.1449 0.2510-0.0000 ( 1483 PWs) bands (ev): -6.9324 -6.9324 5.1754 5.1754 5.4585 5.4585 6.0279 6.0279 7.3116 7.3116 7.5202 7.5202 8.0226 8.0226 8.3258 8.3258 8.4207 8.4207 8.8243 8.8243 9.0466 9.0466 10.5197 10.5197 10.7101 10.7101 10.9007 10.9007 11.8137 11.8137 18.7030 18.7030 19.4516 19.4516 22.4671 22.4671 k = 0.1401 0.2427-0.0000 ( 1487 PWs) bands (ev): -6.9453 -6.9453 5.2009 5.2009 5.4337 5.4337 6.0382 6.0382 7.3307 7.3307 7.5386 7.5386 8.0227 8.0227 8.3086 8.3086 8.4019 8.4019 8.7950 8.7950 9.0371 9.0371 10.4898 10.4898 10.6786 10.6786 10.8600 10.8600 11.8418 11.8418 18.6706 18.6706 19.3200 19.3200 22.6363 22.6363 k = 0.1353 0.2343-0.0000 ( 1487 PWs) bands (ev): -6.9581 -6.9581 5.2274 5.2274 5.4083 5.4083 6.0483 6.0483 7.3510 7.3510 7.5569 7.5569 8.0212 8.0212 8.2932 8.2932 8.3845 8.3845 8.7651 8.7651 9.0281 9.0281 10.4369 10.4369 10.6239 10.6239 10.8699 10.8699 11.8683 11.8683 18.6390 18.6390 19.1882 19.1882 22.8084 22.8084 k = 0.1304 0.2259-0.0000 ( 1487 PWs) bands (ev): -6.9709 -6.9709 5.2544 5.2544 5.3828 5.3828 6.0582 6.0582 7.3722 7.3722 7.5750 7.5750 8.0183 8.0183 8.2796 8.2796 8.3683 8.3683 8.7350 8.7350 9.0193 9.0193 10.3608 10.3608 10.5733 10.5733 10.9034 10.9034 11.8932 11.8932 18.6083 18.6083 19.0565 19.0565 22.9830 22.9830 k = 0.1256 0.2176-0.0000 ( 1483 PWs) bands (ev): -6.9836 -6.9836 5.2798 5.2798 5.3596 5.3596 6.0678 6.0678 7.3943 7.3943 7.5928 7.5928 8.0142 8.0142 8.2680 8.2680 8.3531 8.3531 8.7049 8.7049 9.0105 9.0105 10.2695 10.2695 10.5323 10.5323 10.9469 10.9469 11.9164 11.9164 18.5784 18.5784 18.9252 18.9252 23.1601 23.1601 k = 0.1208 0.2092-0.0000 ( 1483 PWs) bands (ev): -6.9961 -6.9961 5.2928 5.2928 5.3494 5.3494 6.0770 6.0770 7.4171 7.4171 7.6100 7.6100 8.0093 8.0093 8.2583 8.2583 8.3388 8.3388 8.6749 8.6749 9.0017 9.0017 10.1712 10.1712 10.4971 10.4971 10.9957 10.9957 11.9380 11.9380 18.5495 18.5495 18.7945 18.7945 23.3395 23.3395 k = 0.1159 0.2008-0.0000 ( 1483 PWs) bands (ev): -7.0084 -7.0084 5.2793 5.2793 5.3666 5.3666 6.0857 6.0857 7.4404 7.4404 7.6265 7.6265 8.0039 8.0039 8.2504 8.2504 8.3256 8.3256 8.6455 8.6455 8.9926 8.9926 10.0709 10.0709 10.4646 10.4646 11.0481 11.0481 11.9581 11.9581 18.5214 18.5214 18.6648 18.6648 23.5212 23.5212 k = 0.1111 0.1925-0.0000 ( 1481 PWs) bands (ev): -7.0205 -7.0205 5.2542 5.2542 5.3964 5.3964 6.0938 6.0938 7.4641 7.4641 7.6422 7.6422 7.9984 7.9984 8.2440 8.2440 8.3132 8.3132 8.6166 8.6166 8.9833 8.9833 9.9710 9.9710 10.4333 10.4333 11.1030 11.1030 11.9767 11.9767 18.4942 18.4942 18.5363 18.5363 23.7048 23.7048 k = 0.1063 0.1841-0.0000 ( 1481 PWs) bands (ev): -7.0323 -7.0323 5.2264 5.2264 5.4299 5.4299 6.1012 6.1012 7.4879 7.4879 7.6569 7.6569 7.9932 7.9932 8.2388 8.2388 8.3019 8.3019 8.5884 8.5884 8.9737 8.9737 9.8728 9.8728 10.4027 10.4027 11.1597 11.1597 11.9939 11.9939 18.4092 18.4092 18.4680 18.4680 23.8902 23.8902 k = 0.1014 0.1757-0.0000 ( 1487 PWs) bands (ev): -7.0438 -7.0438 5.1978 5.1978 5.4654 5.4654 6.1080 6.1080 7.5117 7.5117 7.6704 7.6704 7.9884 7.9884 8.2347 8.2347 8.2917 8.2917 8.5611 8.5611 8.9636 8.9636 9.7769 9.7769 10.3723 10.3723 11.2179 11.2179 12.0097 12.0097 18.2838 18.2838 18.4427 18.4427 24.0772 24.0772 k = 0.0966 0.1673-0.0000 ( 1491 PWs) bands (ev): -7.0551 -7.0551 5.1691 5.1691 5.5021 5.5021 6.1141 6.1141 7.5352 7.5352 7.6825 7.6825 7.9843 7.9843 8.2313 8.2313 8.2828 8.2828 8.5349 8.5349 8.9532 8.9532 9.6840 9.6840 10.3421 10.3421 11.2772 11.2772 12.0243 12.0243 18.1605 18.1605 18.4184 18.4184 24.2655 24.2655 k = 0.0918 0.1590-0.0000 ( 1491 PWs) bands (ev): -7.0660 -7.0660 5.1407 5.1407 5.5398 5.5398 6.1195 6.1195 7.5583 7.5583 7.6933 7.6933 7.9808 7.9808 8.2284 8.2284 8.2755 8.2755 8.5101 8.5101 8.9424 8.9424 9.5943 9.5943 10.3121 10.3121 11.3372 11.3372 12.0377 12.0377 18.0394 18.0394 18.3951 18.3951 24.4549 24.4549 k = 0.0870 0.1506-0.0000 ( 1481 PWs) bands (ev): -7.0765 -7.0765 5.1127 5.1127 5.5783 5.5783 6.1243 6.1243 7.5809 7.5809 7.7026 7.7026 7.9777 7.9777 8.2260 8.2260 8.2701 8.2701 8.4871 8.4871 8.9313 8.9313 9.5083 9.5083 10.2822 10.2822 11.3978 11.3978 12.0500 12.0500 17.9210 17.9210 18.3728 18.3728 24.6449 24.6449 k = 0.0821 0.1422-0.0000 ( 1481 PWs) bands (ev): -7.0866 -7.0866 5.0854 5.0854 5.6174 5.6174 6.1285 6.1285 7.6026 7.6026 7.7103 7.7103 7.9747 7.9747 8.2237 8.2237 8.2665 8.2665 8.4655 8.4655 8.9196 8.9196 9.4260 9.4260 10.2525 10.2525 11.4584 11.4584 12.0613 12.0613 17.8055 17.8055 18.3516 18.3516 24.8352 24.8352 k = 0.0773 0.1339-0.0000 ( 1473 PWs) bands (ev): -7.0963 -7.0963 5.0589 5.0589 5.6569 5.6569 6.1321 6.1321 7.6233 7.6233 7.7167 7.7167 7.9715 7.9715 8.2216 8.2216 8.2652 8.2652 8.4460 8.4460 8.9075 8.9075 9.3479 9.3479 10.2232 10.2232 11.5188 11.5188 12.0715 12.0715 17.6932 17.6932 18.3314 18.3314 25.0255 25.0255 k = 0.0725 0.1255-0.0000 ( 1477 PWs) bands (ev): -7.1056 -7.1056 5.0333 5.0333 5.6963 5.6963 6.1352 6.1352 7.6425 7.6425 7.7216 7.7216 7.9671 7.9671 8.2201 8.2201 8.2655 8.2655 8.4287 8.4287 8.8950 8.8950 9.2741 9.2741 10.1942 10.1942 11.5786 11.5786 12.0808 12.0808 17.5844 17.5844 18.3123 18.3123 25.2151 25.2151 k = 0.0676 0.1171-0.0000 ( 1477 PWs) bands (ev): -7.1144 -7.1144 5.0089 5.0089 5.7357 5.7357 6.1379 6.1379 7.6602 7.6602 7.7255 7.7255 7.9614 7.9614 8.2195 8.2195 8.2674 8.2674 8.4140 8.4140 8.8819 8.8819 9.2048 9.2048 10.1657 10.1657 11.6376 11.6376 12.0891 12.0891 17.4797 17.4797 18.2944 18.2944 25.4035 25.4035 k = 0.0628 0.1088-0.0000 ( 1473 PWs) bands (ev): -7.1226 -7.1226 4.9856 4.9856 5.7746 5.7746 6.1404 6.1404 7.6760 7.6760 7.7286 7.7286 7.9535 7.9535 8.2201 8.2201 8.2705 8.2705 8.4024 8.4024 8.8686 8.8686 9.1402 9.1402 10.1380 10.1380 11.6953 11.6953 12.0967 12.0967 17.3792 17.3792 18.2776 18.2776 25.5900 25.5900 k = 0.0580 0.1004-0.0000 ( 1471 PWs) bands (ev): -7.1304 -7.1304 4.9636 4.9636 5.8128 5.8128 6.1428 6.1428 7.6894 7.6894 7.7314 7.7314 7.9432 7.9432 8.2222 8.2222 8.2744 8.2744 8.3940 8.3940 8.8548 8.8548 9.0804 9.0804 10.1111 10.1111 11.7513 11.7513 12.1035 12.1035 17.2836 17.2836 18.2619 18.2619 25.7737 25.7737 k = 0.0531 0.0920-0.0000 ( 1471 PWs) bands (ev): -7.1376 -7.1376 4.9431 4.9431 5.8497 5.8497 6.1452 6.1452 7.6999 7.6999 7.7345 7.7345 7.9303 7.9303 8.2256 8.2256 8.2790 8.2790 8.3889 8.3889 8.8408 8.8408 9.0255 9.0255 10.0853 10.0853 11.8053 11.8053 12.1096 12.1096 17.1931 17.1931 18.2474 18.2474 25.9536 25.9536 k = 0.0483 0.0837-0.0000 ( 1477 PWs) bands (ev): -7.1443 -7.1443 4.9239 4.9239 5.8849 5.8849 6.1479 6.1479 7.7069 7.7069 7.7386 7.7386 7.9147 7.9147 8.2304 8.2304 8.2840 8.2840 8.3873 8.3873 8.8264 8.8264 8.9754 8.9754 10.0607 10.0607 11.8566 11.8566 12.1150 12.1150 17.1083 17.1083 18.2341 18.2341 26.1284 26.1284 k = 0.0435 0.0753-0.0000 ( 1469 PWs) bands (ev): -7.1503 -7.1503 4.9065 4.9065 5.9179 5.9179 6.1512 6.1512 7.7107 7.7107 7.7440 7.7440 7.8971 7.8971 8.2364 8.2364 8.2892 8.2892 8.3891 8.3891 8.8121 8.8121 8.9303 8.9303 10.0376 10.0376 11.9050 11.9050 12.1198 12.1198 17.0295 17.0295 18.2220 18.2220 26.2965 26.2965 k = 0.0386 0.0669-0.0000 ( 1471 PWs) bands (ev): -7.1558 -7.1558 4.8906 4.8906 5.9480 5.9480 6.1553 6.1553 7.7118 7.7118 7.7498 7.7498 7.8780 7.8780 8.2432 8.2432 8.2944 8.2944 8.3936 8.3936 8.7976 8.7976 8.8898 8.8898 10.0162 10.0162 11.9499 11.9499 12.1240 12.1240 16.9574 16.9574 18.2112 18.2112 26.4557 26.4557 k = 0.0338 0.0586-0.0000 ( 1471 PWs) bands (ev): -7.1607 -7.1607 4.8765 4.8765 5.9746 5.9746 6.1604 6.1604 7.7115 7.7115 7.7553 7.7553 7.8582 7.8582 8.2504 8.2504 8.2995 8.2995 8.4005 8.4005 8.7833 8.7833 8.8543 8.8543 9.9966 9.9966 11.9908 11.9908 12.1278 12.1278 16.8923 16.8923 18.2016 18.2016 26.6034 26.6034 k = 0.0290 0.0502-0.0000 ( 1479 PWs) bands (ev): -7.1649 -7.1649 4.8640 4.8640 5.9970 5.9970 6.1667 6.1667 7.7102 7.7102 7.7601 7.7601 7.8387 7.8387 8.2576 8.2576 8.3043 8.3043 8.4089 8.4089 8.7691 8.7691 8.8236 8.8236 9.9790 9.9790 12.0273 12.0273 12.1311 12.1311 16.8347 16.8347 18.1932 18.1932 26.7364 26.7364 k = 0.0242 0.0418-0.0000 ( 1477 PWs) bands (ev): -7.1685 -7.1685 4.8534 4.8534 6.0152 6.0152 6.1740 6.1740 7.7087 7.7087 7.7642 7.7642 7.8203 7.8203 8.2646 8.2646 8.3089 8.3089 8.4184 8.4184 8.7554 8.7554 8.7980 8.7980 9.9638 9.9638 12.0587 12.0587 12.1341 12.1341 16.7851 16.7851 18.1861 18.1861 26.8513 26.8513 k = 0.0193 0.0335-0.0000 ( 1477 PWs) bands (ev): -7.1715 -7.1715 4.8447 4.8447 6.0291 6.0291 6.1818 6.1818 7.7069 7.7069 7.7673 7.7673 7.8039 7.8039 8.2709 8.2709 8.3130 8.3130 8.4278 8.4278 8.7423 8.7423 8.7774 8.7774 9.9511 9.9511 12.0847 12.0847 12.1370 12.1370 16.7439 16.7439 18.1802 18.1802 26.9448 26.9448 k = 0.0145 0.0251-0.0000 ( 1477 PWs) bands (ev): -7.1738 -7.1738 4.8379 4.8379 6.0391 6.0391 6.1893 6.1893 7.7052 7.7052 7.7697 7.7697 7.7904 7.7904 8.2760 8.2760 8.3165 8.3165 8.4365 8.4365 8.7305 8.7305 8.7620 8.7620 9.9410 9.9410 12.1045 12.1045 12.1400 12.1400 16.7115 16.7115 18.1757 18.1757 27.0155 27.0155 k = 0.0097 0.0167-0.0000 ( 1477 PWs) bands (ev): -7.1755 -7.1755 4.8331 4.8331 6.0456 6.0456 6.1955 6.1955 7.7037 7.7037 7.7713 7.7713 7.7804 7.7804 8.2799 8.2799 8.3192 8.3192 8.4435 8.4435 8.7210 8.7210 8.7514 8.7514 9.9338 9.9338 12.1174 12.1174 12.1436 12.1436 16.6880 16.6880 18.1725 18.1725 27.0637 27.0638 k = 0.0048 0.0084-0.0000 ( 1473 PWs) bands (ev): -7.1765 -7.1765 4.8301 4.8301 6.0493 6.0493 6.1996 6.1996 7.7028 7.7028 7.7723 7.7723 7.7743 7.7743 8.2824 8.2824 8.3210 8.3210 8.4482 8.4482 8.7148 8.7148 8.7452 8.7452 9.9294 9.9294 12.1239 12.1239 12.1471 12.1471 16.6739 16.6739 18.1705 18.1705 27.0915 27.0915 k = 0.0000 0.0000 0.0000 ( 1473 PWs) bands (ev): -7.1768 -7.1768 4.8292 4.8292 6.0505 6.0505 6.2010 6.2010 7.7024 7.7024 7.7722 7.7722 7.7727 7.7727 8.2832 8.2832 8.3216 8.3216 8.4498 8.4498 8.7126 8.7126 8.7432 8.7432 9.9279 9.9279 12.1258 12.1258 12.1486 12.1486 16.6692 16.6692 18.1699 18.1699 27.1005 27.1005 k = 0.0000 0.0000 0.0000 ( 1473 PWs) bands (ev): -7.1768 -7.1768 4.8292 4.8292 6.0505 6.0505 6.2010 6.2010 7.7024 7.7024 7.7722 7.7722 7.7727 7.7727 8.2832 8.2832 8.3216 8.3216 8.4498 8.4498 8.7126 8.7126 8.7432 8.7432 9.9279 9.9279 12.1258 12.1258 12.1486 12.1486 16.6692 16.6692 18.1699 18.1699 27.1005 27.1005 k = 0.0000 0.0000 0.0097 ( 1473 PWs) bands (ev): -7.1768 -7.1768 4.8285 4.8285 6.0502 6.0502 6.2006 6.2006 7.7024 7.7024 7.7723 7.7723 7.7724 7.7724 8.2834 8.2834 8.3209 8.3209 8.4504 8.4504 8.7139 8.7139 8.7439 8.7439 9.9306 9.9306 12.1249 12.1249 12.1478 12.1478 16.6471 16.6471 18.1935 18.1935 27.1022 27.1022 k = 0.0000 0.0000 0.0194 ( 1473 PWs) bands (ev): -7.1766 -7.1766 4.8268 4.8268 6.0491 6.0491 6.1992 6.1992 7.7020 7.7020 7.7715 7.7715 7.7727 7.7727 8.2837 8.2837 8.3190 8.3190 8.4519 8.4519 8.7179 8.7179 8.7461 8.7461 9.9392 9.9392 12.1223 12.1223 12.1453 12.1453 16.5847 16.5847 18.2608 18.2608 27.1074 27.1074 k = 0.0000 0.0000 0.0291 ( 1473 PWs) bands (ev): -7.1763 -7.1763 4.8237 4.8237 6.0474 6.0474 6.1969 6.1969 7.7007 7.7007 7.7700 7.7700 7.7741 7.7741 8.2837 8.2837 8.3168 8.3168 8.4548 8.4548 8.7242 8.7242 8.7498 8.7498 9.9529 9.9529 12.1181 12.1181 12.1412 12.1412 16.4907 16.4907 18.3628 18.3628 27.1160 27.1160 k = 0.0000 0.0000 0.0389 ( 1473 PWs) bands (ev): -7.1760 -7.1760 4.8194 4.8194 6.0450 6.0450 6.1938 6.1938 7.6977 7.6977 7.7680 7.7680 7.7772 7.7772 8.2818 8.2818 8.3160 8.3160 8.4588 8.4588 8.7327 8.7327 8.7548 8.7548 9.9719 9.9719 12.1121 12.1121 12.1355 12.1355 16.3745 16.3745 18.4902 18.4902 27.1279 27.1279 k = 0.0000 0.0000 0.0486 ( 1485 PWs) bands (ev): -7.1755 -7.1755 4.8139 4.8139 6.0419 6.0419 6.1899 6.1899 7.6922 7.6922 7.7654 7.7654 7.7824 7.7824 8.2770 8.2770 8.3179 8.3179 8.4640 8.4640 8.7430 8.7430 8.7610 8.7610 9.9959 9.9959 12.1045 12.1045 12.1282 12.1282 16.2435 16.2435 18.6355 18.6355 27.1433 27.1433 k = 0.0000 0.0000 0.0583 ( 1485 PWs) bands (ev): -7.1749 -7.1749 4.8073 4.8073 6.0383 6.0383 6.1852 6.1852 7.6844 7.6844 7.7622 7.7622 7.7903 7.7903 8.2691 8.2691 8.3233 8.3233 8.4707 8.4707 8.7548 8.7548 8.7683 8.7683 10.0249 10.0249 12.0954 12.0954 12.1195 12.1195 16.1030 16.1030 18.7936 18.7936 27.1618 27.1618 k = 0.0000 0.0000 0.0680 ( 1491 PWs) bands (ev): -7.1743 -7.1743 4.7998 4.7998 6.0341 6.0341 6.1798 6.1798 7.6741 7.6741 7.7584 7.7584 7.8007 7.8007 8.2589 8.2589 8.3315 8.3315 8.4785 8.4785 8.7677 8.7677 8.7765 8.7765 10.0585 10.0585 12.0847 12.0847 12.1093 12.1093 15.9566 15.9566 18.9608 18.9608 27.1836 27.1836 k = 0.0000 0.0000 0.0777 ( 1491 PWs) bands (ev): -7.1735 -7.1735 4.7914 4.7914 6.0294 6.0294 6.1739 6.1739 7.6617 7.6617 7.7541 7.7541 7.8133 7.8133 8.2472 8.2472 8.3423 8.3423 8.4880 8.4880 8.7814 8.7814 8.7856 8.7856 10.0965 10.0965 12.0727 12.0727 12.0978 12.0978 15.8065 15.8065 19.1348 19.1348 27.2084 27.2084 k = 0.0000 0.0000 0.0874 ( 1491 PWs) bands (ev): -7.1727 -7.1727 4.7822 4.7822 6.0243 6.0243 6.1673 6.1673 7.6474 7.6474 7.7492 7.7492 7.8280 7.8280 8.2345 8.2345 8.3552 8.3552 8.4989 8.4989 8.7953 8.7953 8.7955 8.7955 10.1385 10.1385 12.0594 12.0594 12.0851 12.0851 15.6546 15.6546 19.3138 19.3138 27.2362 27.2362 k = 0.0000 0.0000 0.0971 ( 1491 PWs) bands (ev): -7.1718 -7.1718 4.7722 4.7722 6.0189 6.0189 6.1604 6.1604 7.6317 7.6317 7.7438 7.7438 7.8443 7.8443 8.2211 8.2211 8.3700 8.3700 8.5112 8.5112 8.8054 8.8054 8.8100 8.8100 10.1843 10.1843 12.0449 12.0449 12.0712 12.0712 15.5019 15.5019 19.4967 19.4967 27.2667 27.2667 k = 0.0000 0.0000 0.1069 ( 1491 PWs) bands (ev): -7.1709 -7.1709 4.7616 4.7616 6.0131 6.0131 6.1530 6.1530 7.6148 7.6148 7.7379 7.7379 7.8620 7.8620 8.2073 8.2073 8.3866 8.3866 8.5249 8.5249 8.8159 8.8159 8.8244 8.8244 10.2337 10.2337 12.0293 12.0293 12.0564 12.0564 15.3494 15.3494 19.6827 19.6827 27.2998 27.2998 k = 0.0000 0.0000 0.1166 ( 1479 PWs) bands (ev): -7.1699 -7.1699 4.7506 4.7506 6.0072 6.0072 6.1456 6.1456 7.5971 7.5971 7.7317 7.7317 7.8809 7.8809 8.1934 8.1934 8.4048 8.4048 8.5399 8.5399 8.8267 8.8267 8.8387 8.8387 10.2863 10.2863 12.0128 12.0128 12.0407 12.0407 15.1977 15.1977 19.8710 19.8710 27.3351 27.3351 k = 0.0000 0.0000 0.1263 ( 1472 PWs) bands (ev): -7.1688 -7.1688 4.7392 4.7392 6.0010 6.0010 6.1378 6.1378 7.5789 7.5789 7.7251 7.7251 7.9008 7.9008 8.1794 8.1794 8.4245 8.4245 8.5561 8.5561 8.8374 8.8374 8.8526 8.8526 10.3418 10.3418 11.9954 11.9954 12.0242 12.0242 15.0472 15.0472 20.0612 20.0612 27.3720 27.3721 k = 0.0000 0.0000 0.1360 ( 1472 PWs) bands (ev): -7.1678 -7.1678 4.7275 4.7275 5.9947 5.9947 6.1299 6.1299 7.5603 7.5603 7.7182 7.7182 7.9212 7.9212 8.1654 8.1654 8.4453 8.4453 8.5734 8.5734 8.8479 8.8479 8.8659 8.8659 10.4001 10.4001 11.9774 11.9774 12.0071 12.0071 14.8985 14.8985 20.2527 20.2527 27.4095 27.4095 k = 0.0000 0.0000 0.1457 ( 1472 PWs) bands (ev): -7.1667 -7.1667 4.7157 4.7157 5.9883 5.9883 6.1219 6.1219 7.5416 7.5416 7.7111 7.7111 7.9421 7.9421 8.1517 8.1517 8.4672 8.4672 8.5916 8.5916 8.8581 8.8581 8.8784 8.8784 10.4607 10.4607 11.9588 11.9588 11.9896 11.9896 14.7519 14.7519 20.4452 20.4452 27.4434 27.4434 k = 0.0000 0.0000 0.1554 ( 1472 PWs) bands (ev): -7.1656 -7.1656 4.7038 4.7038 5.9819 5.9819 6.1140 6.1140 7.5231 7.5231 7.7039 7.7039 7.9632 7.9632 8.1384 8.1384 8.4899 8.4899 8.6106 8.6106 8.8679 8.8679 8.8901 8.8901 10.5236 10.5236 11.9399 11.9399 11.9718 11.9718 14.6078 14.6078 20.6383 20.6383 27.4474 27.4474 k = 0.0000 0.0000 0.1651 ( 1466 PWs) bands (ev): -7.1645 -7.1645 4.6921 4.6921 5.9757 5.9757 6.1063 6.1063 7.5050 7.5050 7.6966 7.6966 7.9842 7.9842 8.1257 8.1257 8.5133 8.5133 8.6302 8.6302 8.8773 8.8773 8.9009 8.9009 10.5883 10.5883 11.9210 11.9210 11.9539 11.9539 14.4665 14.4665 20.8316 20.8316 27.3401 27.3401 k = 0.0000 0.0000 0.1749 ( 1466 PWs) bands (ev): -7.1634 -7.1634 4.6805 4.6805 5.9695 5.9695 6.0987 6.0987 7.4873 7.4873 7.6895 7.6895 8.0049 8.0049 8.1135 8.1135 8.5371 8.5371 8.6503 8.6503 8.8860 8.8860 8.9106 8.9106 10.6545 10.6545 11.9020 11.9020 11.9360 11.9360 14.3283 14.3283 21.0248 21.0248 27.1785 27.1785 k = 0.0000 0.0000 0.1846 ( 1466 PWs) bands (ev): -7.1623 -7.1623 4.6692 4.6692 5.9635 5.9635 6.0913 6.0913 7.4704 7.4704 7.6824 7.6824 8.0247 8.0247 8.1024 8.1024 8.5611 8.5611 8.6708 8.6708 8.8939 8.8939 8.9192 8.9192 10.7220 10.7220 11.8831 11.8831 11.9184 11.9184 14.1936 14.1936 21.2174 21.2174 27.0061 27.0061 k = 0.0000 0.0000 0.1943 ( 1466 PWs) bands (ev): -7.1613 -7.1613 4.6584 4.6584 5.9577 5.9577 6.0842 6.0842 7.4542 7.4542 7.6755 7.6755 8.0430 8.0430 8.0929 8.0929 8.5852 8.5852 8.6913 8.6913 8.9010 8.9010 8.9266 8.9266 10.7904 10.7904 11.8647 11.8647 11.9011 11.9011 14.0629 14.0629 21.4090 21.4090 26.8297 26.8297 k = 0.0000 0.0000 0.2040 ( 1490 PWs) bands (ev): -7.1603 -7.1603 4.6480 4.6480 5.9521 5.9521 6.0774 6.0774 7.4387 7.4387 7.6687 7.6687 8.0564 8.0564 8.0877 8.0877 8.6088 8.6088 8.7116 8.7116 8.9069 8.9069 8.9324 8.9324 10.8592 10.8592 11.8467 11.8467 11.8843 11.8843 13.9365 13.9365 21.5989 21.5989 26.6517 26.6517 k = 0.0000 0.0000 0.2137 ( 1496 PWs) bands (ev): -7.1593 -7.1593 4.6382 4.6382 5.9469 5.9469 6.0711 6.0711 7.4243 7.4243 7.6624 7.6624 8.0588 8.0588 8.0936 8.0936 8.6321 8.6321 8.7317 8.7317 8.9120 8.9120 8.9373 8.9373 10.9279 10.9279 11.8296 11.8296 11.8683 11.8683 13.8150 13.8150 21.7865 21.7865 26.4736 26.4736 k = 0.0000 0.0000 0.2234 ( 1496 PWs) bands (ev): -7.1584 -7.1584 4.6291 4.6291 5.9421 5.9421 6.0653 6.0653 7.4112 7.4112 7.6566 7.6566 8.0535 8.0535 8.1070 8.1070 8.6549 8.6549 8.7515 8.7515 8.9161 8.9161 8.9409 8.9409 10.9960 10.9960 11.8135 11.8135 11.8533 11.8533 13.6991 13.6991 21.9710 21.9710 26.2967 26.2967 k = 0.0000 0.0000 0.2332 ( 1496 PWs) bands (ev): -7.1576 -7.1576 4.6208 4.6208 5.9378 5.9378 6.0600 6.0600 7.3993 7.3993 7.6513 7.6513 8.0466 8.0466 8.1215 8.1215 8.6767 8.6767 8.7707 8.7707 8.9189 8.9189 8.9433 8.9433 11.0627 11.0627 11.7985 11.7985 11.8394 11.8394 13.5895 13.5895 22.1512 22.1512 26.1226 26.1226 k = 0.0000 0.0000 0.2429 ( 1496 PWs) bands (ev): -7.1569 -7.1569 4.6132 4.6132 5.9338 5.9338 6.0553 6.0553 7.3886 7.3886 7.6464 7.6464 8.0400 8.0400 8.1353 8.1353 8.6974 8.6974 8.7892 8.7892 8.9205 8.9205 8.9445 8.9445 11.1270 11.1270 11.7848 11.7848 11.8267 11.8267 13.4872 13.4872 22.3254 22.3254 25.9531 25.9531 k = 0.0000 0.0000 0.2526 ( 1508 PWs) bands (ev): -7.1562 -7.1562 4.6066 4.6066 5.9302 5.9302 6.0510 6.0510 7.3792 7.3792 7.6420 7.6420 8.0338 8.0338 8.1476 8.1476 8.7164 8.7164 8.8064 8.8064 8.9208 8.9208 8.9445 8.9445 11.1879 11.1879 11.7726 11.7726 11.8153 11.8153 13.3934 13.3934 22.4916 22.4916 25.7906 25.7906 k = 0.0000 0.0000 0.2623 ( 1508 PWs) bands (ev): -7.1557 -7.1557 4.6009 4.6009 5.9273 5.9273 6.0474 6.0474 7.3712 7.3712 7.6383 7.6383 8.0285 8.0285 8.1585 8.1585 8.7339 8.7339 8.8229 8.8229 8.9198 8.9198 8.9437 8.9437 11.2440 11.2440 11.7619 11.7619 11.8055 11.8055 13.3094 13.3094 22.6470 22.6470 25.6381 25.6381 k = 0.0000 0.0000 0.2720 ( 1508 PWs) bands (ev): -7.1552 -7.1552 4.5961 4.5961 5.9248 5.9248 6.0444 6.0444 7.3646 7.3646 7.6352 7.6352 8.0241 8.0241 8.1675 8.1675 8.7492 8.7492 8.8381 8.8381 8.9174 8.9174 8.9422 8.9422 11.2937 11.2937 11.7531 11.7531 11.7973 11.7973 13.2368 13.2368 22.7874 22.7874 25.4997 25.4997 k = 0.0000 0.0000 0.2817 ( 1508 PWs) bands (ev): -7.1548 -7.1548 4.5924 4.5924 5.9229 5.9229 6.0421 6.0421 7.3595 7.3595 7.6328 7.6328 8.0207 8.0207 8.1746 8.1746 8.7619 8.7619 8.8519 8.8519 8.9138 8.9138 8.9404 8.9404 11.3351 11.3351 11.7460 11.7460 11.7909 11.7909 13.1776 13.1776 22.9078 22.9078 25.3809 25.3809 k = 0.0000 0.0000 0.2914 ( 1508 PWs) bands (ev): -7.1545 -7.1545 4.5897 4.5897 5.9215 5.9215 6.0404 6.0404 7.3558 7.3558 7.6311 7.6311 8.0182 8.0182 8.1798 8.1798 8.7715 8.7715 8.8638 8.8638 8.9093 8.9093 8.9387 8.9387 11.3664 11.3664 11.7409 11.7409 11.7862 11.7862 13.1335 13.1335 23.0017 23.0017 25.2881 25.2881 k = 0.0000 0.0000 0.3012 ( 1514 PWs) bands (ev): -7.1544 -7.1544 4.5881 4.5881 5.9206 5.9206 6.0394 6.0394 7.3534 7.3534 7.6300 7.6300 8.0167 8.0167 8.1828 8.1828 8.7774 8.7774 8.8730 8.8730 8.9044 8.9044 8.9373 8.9373 11.3860 11.3860 11.7379 11.7379 11.7833 11.7833 13.1062 13.1062 23.0619 23.0619 25.2285 25.2285 k = 0.0000 0.0000 0.3109 ( 1508 PWs) bands (ev): -7.1543 -7.1543 4.5876 4.5876 5.9203 5.9203 6.0390 6.0390 7.3529 7.3529 7.6297 7.6297 8.0162 8.0162 8.1840 8.1840 8.7795 8.7795 8.8769 8.8769 8.9020 8.9020 8.9369 8.9369 11.3926 11.3926 11.7369 11.7369 11.7824 11.7824 13.0970 13.0970 23.0827 23.0827 25.2079 25.2079 k = 0.0000 0.0000 0.3109 ( 1508 PWs) bands (ev): -7.1543 -7.1543 4.5876 4.5876 5.9203 5.9203 6.0390 6.0390 7.3529 7.3529 7.6297 7.6297 8.0162 8.0162 8.1840 8.1840 8.7795 8.7795 8.8769 8.8769 8.9020 8.9020 8.9369 8.9369 11.3926 11.3926 11.7369 11.7369 11.7824 11.7824 13.0970 13.0970 23.0827 23.0827 25.2079 25.2079 k = 0.0083 0.0048 0.3109 ( 1508 PWs) bands (ev): -7.1540 -7.1540 4.5888 4.5888 5.9201 5.9201 6.0388 6.0388 7.3533 7.3533 7.6296 7.6296 8.0151 8.0151 8.1839 8.1839 8.7785 8.7785 8.8773 8.8773 8.8993 8.8993 8.9395 8.9395 11.3952 11.3952 11.7346 11.7346 11.7807 11.7807 13.1032 13.1032 23.0842 23.0842 25.2081 25.2081 k = 0.0167 0.0096 0.3109 ( 1508 PWs) bands (ev): -7.1531 -7.1531 4.5924 4.5924 5.9193 5.9193 6.0379 6.0379 7.3546 7.3546 7.6295 7.6295 8.0119 8.0119 8.1835 8.1835 8.7755 8.7755 8.8782 8.8782 8.8931 8.8931 8.9456 8.9456 11.4029 11.4029 11.7265 11.7265 11.7769 11.7769 13.1214 13.1214 23.0885 23.0885 25.2088 25.2088 k = 0.0250 0.0144 0.3109 ( 1508 PWs) bands (ev): -7.1516 -7.1516 4.5985 4.5985 5.9179 5.9179 6.0367 6.0367 7.3567 7.3567 7.6291 7.6291 8.0067 8.0067 8.1827 8.1827 8.7709 8.7709 8.8792 8.8792 8.8857 8.8857 8.9533 8.9533 11.4153 11.4153 11.7106 11.7106 11.7742 11.7742 13.1510 13.1510 23.0957 23.0957 25.2099 25.2099 k = 0.0333 0.0192 0.3109 ( 1504 PWs) bands (ev): -7.1494 -7.1494 4.6070 4.6070 5.9158 5.9158 6.0351 6.0351 7.3596 7.3596 7.6286 7.6286 7.9999 7.9999 8.1815 8.1815 8.7651 8.7651 8.8754 8.8754 8.8829 8.8829 8.9614 8.9614 11.4318 11.4318 11.6870 11.6870 11.7739 11.7739 13.1909 13.1909 23.1058 23.1058 25.2113 25.2113 k = 0.0417 0.0241 0.3109 ( 1500 PWs) bands (ev): -7.1467 -7.1467 4.6178 4.6178 5.9129 5.9129 6.0333 6.0333 7.3631 7.3631 7.6277 7.6277 7.9917 7.9917 8.1796 8.1796 8.7584 8.7584 8.8672 8.8672 8.8845 8.8845 8.9696 8.9696 11.4509 11.4509 11.6585 11.6585 11.7756 11.7756 13.2397 13.2397 23.1186 23.1186 25.2128 25.2128 k = 0.0500 0.0289 0.3109 ( 1496 PWs) bands (ev): -7.1433 -7.1433 4.6309 4.6309 5.9088 5.9088 6.0315 6.0315 7.3674 7.3674 7.6262 7.6262 7.9824 7.9824 8.1772 8.1772 8.7512 8.7512 8.8586 8.8586 8.8865 8.8865 8.9775 8.9775 11.4691 11.4691 11.6303 11.6303 11.7789 11.7789 13.2964 13.2964 23.1343 23.1343 25.2141 25.2141 k = 0.0583 0.0337 0.3109 ( 1496 PWs) bands (ev): -7.1394 -7.1394 4.6464 4.6464 5.9035 5.9035 6.0298 6.0298 7.3721 7.3721 7.6240 7.6240 7.9724 7.9724 8.1741 8.1741 8.7438 8.7438 8.8500 8.8500 8.8884 8.8884 8.9852 8.9852 11.4772 11.4772 11.6126 11.6126 11.7833 11.7833 13.3597 13.3597 23.1526 23.1526 25.2151 25.2151 k = 0.0667 0.0385 0.3109 ( 1496 PWs) bands (ev): -7.1349 -7.1349 4.6640 4.6640 5.8967 5.8967 6.0286 6.0286 7.3772 7.3772 7.6209 7.6209 7.9621 7.9621 8.1706 8.1706 8.7366 8.7366 8.8415 8.8415 8.8901 8.8901 8.9925 8.9925 11.4629 11.4629 11.6186 11.6186 11.7887 11.7887 13.4287 13.4287 23.1736 23.1736 25.2151 25.2151 k = 0.0750 0.0433 0.3109 ( 1496 PWs) bands (ev): -7.1299 -7.1299 4.6837 4.6837 5.8883 5.8883 6.0279 6.0279 7.3826 7.3826 7.6168 7.6168 7.9516 7.9516 8.1669 8.1669 8.7297 8.7297 8.8332 8.8332 8.8915 8.8915 8.9995 8.9995 11.4289 11.4289 11.6461 11.6461 11.7951 11.7951 13.5025 13.5025 23.1972 23.1972 25.2137 25.2137 k = 0.0833 0.0481 0.3109 ( 1498 PWs) bands (ev): -7.1242 -7.1242 4.7055 4.7055 5.8783 5.8783 6.0277 6.0277 7.3882 7.3882 7.6115 7.6115 7.9414 7.9414 8.1631 8.1631 8.7233 8.7233 8.8251 8.8251 8.8926 8.8926 9.0061 9.0061 11.3852 11.3852 11.6854 11.6854 11.8025 11.8025 13.5803 13.5803 23.2231 23.2231 25.2100 25.2100 k = 0.0917 0.0529 0.3109 ( 1502 PWs) bands (ev): -7.1181 -7.1181 4.7293 4.7293 5.8664 5.8664 6.0283 6.0283 7.3936 7.3936 7.6047 7.6047 7.9316 7.9316 8.1597 8.1597 8.7176 8.7176 8.8173 8.8173 8.8935 8.8935 9.0126 9.0126 11.3372 11.3372 11.7306 11.7306 11.8114 11.8114 13.6616 13.6616 23.2513 23.2513 25.2028 25.2028 k = 0.1000 0.0577 0.3109 ( 1502 PWs) bands (ev): -7.1114 -7.1114 4.7548 4.7548 5.8528 5.8528 6.0295 6.0295 7.3988 7.3988 7.5967 7.5967 7.9224 7.9224 8.1571 8.1571 8.7127 8.7127 8.8097 8.8097 8.8942 8.8942 9.0188 9.0188 11.2871 11.2871 11.7768 11.7768 11.8248 11.8248 13.7459 13.7459 23.2815 23.2815 25.1905 25.1905 k = 0.1083 0.0625 0.3109 ( 1498 PWs) bands (ev): -7.1042 -7.1042 4.7821 4.7821 5.8376 5.8376 6.0313 6.0313 7.4037 7.4037 7.5873 7.5873 7.9139 7.9139 8.1557 8.1557 8.7085 8.7085 8.8025 8.8025 8.8947 8.8947 9.0250 9.0250 11.2361 11.2361 11.8093 11.8093 11.8563 11.8563 13.8327 13.8327 23.3135 23.3135 25.1708 25.1708 k = 0.1167 0.0674 0.3109 ( 1494 PWs) bands (ev): -7.0965 -7.0965 4.8109 4.8109 5.8209 5.8209 6.0336 6.0336 7.4079 7.4079 7.5767 7.5767 7.9063 7.9063 8.1557 8.1557 8.7050 8.7050 8.7956 8.7956 8.8950 8.8950 9.0310 9.0310 11.1848 11.1848 11.8242 11.8242 11.9089 11.9089 13.9218 13.9218 23.3469 23.3469 25.1400 25.1400 k = 0.1250 0.0722 0.3109 ( 1494 PWs) bands (ev): -7.0884 -7.0884 4.8411 4.8411 5.8025 5.8025 6.0364 6.0364 7.4113 7.4113 7.5650 7.5650 7.8997 7.8997 8.1574 8.1574 8.7022 8.7022 8.7891 8.7891 8.8951 8.8951 9.0369 9.0369 11.1336 11.1336 11.8348 11.8348 11.9690 11.9690 14.0128 14.0128 23.3812 23.3812 25.0932 25.0932 k = 0.1333 0.0770 0.3109 ( 1490 PWs) bands (ev): -7.0798 -7.0798 4.8725 4.8725 5.7828 5.7828 6.0395 6.0395 7.4139 7.4139 7.5524 7.5524 7.8942 7.8942 8.1610 8.1610 8.7001 8.7001 8.7831 8.7831 8.8951 8.8951 9.0427 9.0427 11.0829 11.0829 11.8445 11.8445 12.0327 12.0327 14.1055 14.1055 23.4155 23.4155 25.0241 25.0241 k = 0.1417 0.0818 0.3109 ( 1486 PWs) bands (ev): -7.0708 -7.0708 4.9048 4.9048 5.7618 5.7618 6.0430 6.0430 7.4154 7.4154 7.5392 7.5392 7.8900 7.8900 8.1666 8.1666 8.6986 8.6986 8.7775 8.7775 8.8950 8.8950 9.0485 9.0485 11.0329 11.0329 11.8539 11.8539 12.0990 12.0990 14.1996 14.1996 23.4486 23.4486 24.9270 24.9270 k = 0.1500 0.0866 0.3109 ( 1498 PWs) bands (ev): -7.0614 -7.0614 4.9379 4.9379 5.7395 5.7395 6.0466 6.0466 7.4156 7.4156 7.5255 7.5255 7.8870 7.8870 8.1739 8.1739 8.6976 8.6976 8.7724 8.7724 8.8947 8.8947 9.0542 9.0542 10.9837 10.9837 11.8630 11.8630 12.1673 12.1673 14.2950 14.2950 23.4787 23.4787 24.8003 24.8003 k = 0.1583 0.0914 0.3109 ( 1492 PWs) bands (ev): -7.0516 -7.0516 4.9714 4.9714 5.7164 5.7164 6.0504 6.0504 7.4147 7.4147 7.5121 7.5121 7.8857 7.8857 8.1832 8.1832 8.6973 8.6973 8.7681 8.7681 8.8947 8.8947 9.0600 9.0600 10.9355 10.9355 11.8721 11.8721 12.2375 12.2375 14.3915 14.3915 23.5021 23.5021 24.6500 24.6500 k = 0.1667 0.0962 0.3109 ( 1496 PWs) bands (ev): -7.0415 -7.0415 5.0050 5.0050 5.6924 5.6924 6.0542 6.0542 7.4126 7.4126 7.4989 7.4989 7.8860 7.8860 8.1940 8.1940 8.6975 8.6975 8.7644 8.7644 8.8945 8.8945 9.0657 9.0657 10.8884 10.8884 11.8811 11.8811 12.3090 12.3090 14.4890 14.4890 23.5127 23.5127 24.4890 24.4890 k = 0.1750 0.1010 0.3109 ( 1500 PWs) bands (ev): -7.0310 -7.0310 5.0383 5.0383 5.6677 5.6677 6.0580 6.0580 7.4093 7.4093 7.4866 7.4866 7.8880 7.8880 8.2063 8.2063 8.6982 8.6982 8.7616 8.7616 8.8945 8.8945 9.0714 9.0714 10.8425 10.8425 11.8898 11.8898 12.3818 12.3818 14.5873 14.5873 23.4993 23.4993 24.3357 24.3357 k = 0.1833 0.1058 0.3109 ( 1496 PWs) bands (ev): -7.0202 -7.0202 5.0710 5.0710 5.6427 5.6427 6.0619 6.0619 7.4048 7.4048 7.4754 7.4754 7.8918 7.8918 8.2199 8.2199 8.6994 8.6994 8.7598 8.7598 8.8948 8.8948 9.0772 9.0772 10.7979 10.7979 11.8985 11.8985 12.4557 12.4557 14.6864 14.6864 23.4448 23.4448 24.2125 24.2125 k = 0.1917 0.1107 0.3109 ( 1500 PWs) bands (ev): -7.0092 -7.0092 5.1023 5.1023 5.6177 5.6177 6.0656 6.0656 7.3990 7.3990 7.4660 7.4660 7.8972 7.8972 8.2344 8.2344 8.7009 8.7009 8.7589 8.7589 8.8953 8.8953 9.0830 9.0830 10.7547 10.7547 11.9068 11.9068 12.5304 12.5304 14.7861 14.7861 23.3356 23.3356 24.1367 24.1367 k = 0.2000 0.1155 0.3109 ( 1496 PWs) bands (ev): -6.9979 -6.9979 5.1318 5.1318 5.5932 5.5932 6.0693 6.0693 7.3918 7.3918 7.4590 7.4590 7.9045 7.9045 8.2497 8.2497 8.7028 8.7028 8.7593 8.7593 8.8961 8.8961 9.0889 9.0889 10.7129 10.7129 11.9148 11.9148 12.6058 12.6058 14.8864 14.8864 23.1755 23.1755 24.1065 24.1065 k = 0.2083 0.1203 0.3109 ( 1496 PWs) bands (ev): -6.9864 -6.9864 5.1586 5.1586 5.5698 5.5698 6.0728 6.0728 7.3833 7.3833 7.4547 7.4547 7.9133 7.9133 8.2654 8.2654 8.7049 8.7049 8.7611 8.7611 8.8972 8.8972 9.0948 9.0948 10.6727 10.6727 11.9225 11.9225 12.6817 12.6817 14.9871 14.9871 22.9808 22.9808 24.1059 24.1059 k = 0.2167 0.1251 0.3109 ( 1496 PWs) bands (ev): -6.9747 -6.9747 5.1816 5.1816 5.5483 5.5483 6.0761 6.0761 7.3734 7.3734 7.4536 7.4536 7.9236 7.9236 8.2815 8.2815 8.7071 8.7071 8.7642 8.7642 8.8987 8.8987 9.1007 9.1007 10.6340 10.6340 11.9297 11.9297 12.7578 12.7578 15.0883 15.0883 22.7662 22.7662 24.1194 24.1194 k = 0.2250 0.1299 0.3109 ( 1494 PWs) bands (ev): -6.9629 -6.9629 5.1997 5.1997 5.5298 5.5298 6.0791 6.0791 7.3627 7.3627 7.4557 7.4557 7.9354 7.9354 8.2975 8.2975 8.7095 8.7095 8.7689 8.7689 8.9007 8.9007 9.1068 9.1068 10.5969 10.5969 11.9366 11.9366 12.8342 12.8342 15.1898 15.1898 22.5406 22.5406 24.1346 24.1346 k = 0.2333 0.1347 0.3109 ( 1498 PWs) bands (ev): -6.9510 -6.9510 5.2114 5.2114 5.5156 5.5156 6.0819 6.0819 7.3511 7.3511 7.4610 7.4610 7.9487 7.9487 8.3133 8.3133 8.7118 8.7118 8.7750 8.7750 8.9032 8.9032 9.1129 9.1129 10.5614 10.5614 11.9429 11.9429 12.9106 12.9106 15.2916 15.2916 22.3090 22.3090 24.1382 24.1382 k = 0.2417 0.1395 0.3109 ( 1498 PWs) bands (ev): -6.9389 -6.9389 5.2156 5.2156 5.5066 5.5066 6.0845 6.0845 7.3392 7.3392 7.4695 7.4695 7.9633 7.9633 8.3288 8.3288 8.7143 8.7143 8.7827 8.7827 8.9064 8.9064 9.1193 9.1193 10.5276 10.5276 11.9488 11.9488 12.9868 12.9868 15.3936 15.3936 22.0745 22.0745 24.1128 24.1128 k = 0.2500 0.1443 0.3109 ( 1494 PWs) bands (ev): -6.9269 -6.9269 5.2118 5.2118 5.5032 5.5032 6.0868 6.0868 7.3271 7.3271 7.4811 7.4811 7.9793 7.9793 8.3438 8.3438 8.7169 8.7169 8.7921 8.7921 8.9103 8.9103 9.1259 9.1259 10.4954 10.4954 11.9541 11.9541 13.0628 13.0628 15.4958 15.4958 21.8389 21.8389 24.0436 24.0436 k = 0.2583 0.1491 0.3109 ( 1498 PWs) bands (ev): -6.9148 -6.9148 5.2007 5.2007 5.5047 5.5047 6.0888 6.0888 7.3150 7.3150 7.4957 7.4957 7.9966 7.9966 8.3579 8.3579 8.7197 8.7197 8.8026 8.8026 8.9149 8.9149 9.1326 9.1326 10.4650 10.4650 11.9589 11.9589 13.1384 13.1384 15.5981 15.5981 21.6035 21.6035 23.9351 23.9351 k = 0.2667 0.1540 0.3109 ( 1498 PWs) bands (ev): -6.9027 -6.9027 5.1835 5.1835 5.5099 5.5099 6.0905 6.0905 7.3028 7.3028 7.5132 7.5132 8.0153 8.0153 8.3712 8.3712 8.7226 8.7226 8.8145 8.8145 8.9205 8.9205 9.1398 9.1398 10.4362 10.4362 11.9631 11.9631 13.2134 13.2134 15.7006 15.7006 21.3693 21.3693 23.8026 23.8026 k = 0.2750 0.1588 0.3109 ( 1498 PWs) bands (ev): -6.8906 -6.8906 5.1618 5.1618 5.5173 5.5173 6.0918 6.0918 7.2910 7.2910 7.5334 7.5334 8.0354 8.0354 8.3836 8.3836 8.7257 8.7257 8.8273 8.8273 8.9269 8.9269 9.1473 9.1473 10.4093 10.4093 11.9667 11.9667 13.2877 13.2877 15.8031 15.8031 21.1368 21.1368 23.6574 23.6574 k = 0.2833 0.1636 0.3109 ( 1490 PWs) bands (ev): -6.8786 -6.8786 5.1370 5.1370 5.5256 5.5256 6.0929 6.0929 7.2795 7.2795 7.5560 7.5560 8.0571 8.0571 8.3951 8.3951 8.7291 8.7291 8.8410 8.8410 8.9345 8.9345 9.1553 9.1553 10.3841 10.3841 11.9698 11.9698 13.3613 13.3613 15.9056 15.9056 20.9069 20.9069 23.5056 23.5056 k = 0.2917 0.1684 0.3109 ( 1484 PWs) bands (ev): -6.8668 -6.8668 5.1102 5.1102 5.5338 5.5338 6.0937 6.0937 7.2683 7.2683 7.5805 7.5805 8.0801 8.0801 8.4055 8.4055 8.7327 8.7327 8.8553 8.8553 8.9433 8.9433 9.1638 9.1638 10.3606 10.3606 11.9724 11.9724 13.4338 13.4338 16.0080 16.0080 20.6799 20.6799 23.3502 23.3502 k = 0.3000 0.1732 0.3109 ( 1484 PWs) bands (ev): -6.8551 -6.8551 5.0820 5.0820 5.5413 5.5413 6.0942 6.0942 7.2573 7.2573 7.6065 7.6065 8.1045 8.1045 8.4149 8.4149 8.7366 8.7366 8.8699 8.8699 8.9534 8.9534 9.1730 9.1730 10.3388 10.3388 11.9743 11.9743 13.5052 13.5052 16.1104 16.1104 20.4563 20.4563 23.1932 23.1932 k = 0.3083 0.1780 0.3109 ( 1484 PWs) bands (ev): -6.8436 -6.8436 5.0530 5.0530 5.5478 5.5478 6.0943 6.0943 7.2467 7.2467 7.6335 7.6335 8.1303 8.1303 8.4233 8.4233 8.7407 8.7407 8.8846 8.8846 8.9649 8.9649 9.1828 9.1828 10.3188 10.3188 11.9757 11.9757 13.5753 13.5753 16.2126 16.2126 20.2365 20.2365 23.0356 23.0356 k = 0.3167 0.1828 0.3109 ( 1484 PWs) bands (ev): -6.8322 -6.8322 5.0238 5.0238 5.5531 5.5531 6.0941 6.0941 7.2365 7.2365 7.6611 7.6611 8.1573 8.1573 8.4308 8.4308 8.7453 8.7453 8.8990 8.8990 8.9780 8.9780 9.1935 9.1935 10.3005 10.3005 11.9765 11.9765 13.6440 13.6440 16.3145 16.3145 20.0211 20.0211 22.8780 22.8780 k = 0.3250 0.1876 0.3109 ( 1478 PWs) bands (ev): -6.8212 -6.8212 4.9946 4.9946 5.5571 5.5571 6.0937 6.0937 7.2267 7.2267 7.6888 7.6888 8.1855 8.1855 8.4374 8.4374 8.7504 8.7504 8.9132 8.9132 8.9928 8.9928 9.2050 9.2050 10.2839 10.2839 11.9769 11.9769 13.7112 13.7112 16.4161 16.4161 19.8104 19.8104 22.7212 22.7212 k = 0.3333 0.1925 0.3109 ( 1478 PWs) bands (ev): -6.8104 -6.8104 4.9657 4.9657 5.5598 5.5598 6.0930 6.0930 7.2173 7.2173 7.7162 7.7162 8.2144 8.2144 8.4433 8.4433 8.7560 8.7560 8.9270 8.9270 9.0089 9.0089 9.2174 9.2174 10.2690 10.2690 11.9767 11.9767 13.7767 13.7767 16.5172 16.5172 19.6049 19.6049 22.5655 22.5655 k = 0.3417 0.1973 0.3109 ( 1474 PWs) bands (ev): -6.7999 -6.7999 4.9373 4.9373 5.5614 5.5614 6.0923 6.0923 7.2084 7.2084 7.7428 7.7428 8.2436 8.2436 8.4486 8.4486 8.7622 8.7622 8.9407 8.9407 9.0262 9.0262 9.2307 9.2307 10.2556 10.2556 11.9761 11.9761 13.8404 13.8404 16.6177 16.6177 19.4051 19.4051 22.4112 22.4112 k = 0.3500 0.2021 0.3109 ( 1470 PWs) bands (ev): -6.7897 -6.7897 4.9097 4.9097 5.5618 5.5618 6.0912 6.0912 7.1999 7.1999 7.7684 7.7684 8.2726 8.2726 8.4533 8.4533 8.7691 8.7691 8.9543 8.9543 9.0444 9.0444 9.2450 9.2450 10.2440 10.2440 11.9751 11.9751 13.9021 13.9021 16.7174 16.7174 19.2115 19.2115 22.2587 22.2587 k = 0.3583 0.2069 0.3109 ( 1470 PWs) bands (ev): -6.7799 -6.7799 4.8828 4.8828 5.5613 5.5613 6.0899 6.0899 7.1918 7.1918 7.7927 7.7927 8.3009 8.3009 8.4574 8.4574 8.7767 8.7767 8.9681 8.9681 9.0633 9.0633 9.2602 9.2602 10.2339 10.2339 11.9737 11.9737 13.9616 13.9616 16.8159 16.8159 19.0247 19.0247 22.1083 22.1083 k = 0.3667 0.2117 0.3109 ( 1474 PWs) bands (ev): -6.7705 -6.7705 4.8569 4.8569 5.5598 5.5598 6.0885 6.0885 7.1841 7.1841 7.8155 7.8155 8.3277 8.3277 8.4611 8.4611 8.7849 8.7849 8.9823 8.9823 9.0826 9.0826 9.2763 9.2763 10.2253 10.2253 11.9720 11.9720 14.0188 14.0188 16.9129 16.9129 18.8454 18.8454 21.9604 21.9604 k = 0.3750 0.2165 0.3109 ( 1474 PWs) bands (ev): -6.7615 -6.7615 4.8321 4.8321 5.5577 5.5577 6.0871 6.0871 7.1769 7.1769 7.8368 7.8368 8.3525 8.3525 8.4645 8.4645 8.7938 8.7938 8.9970 8.9970 9.1022 9.1022 9.2934 9.2934 10.2184 10.2184 11.9700 11.9700 14.0735 14.0735 17.0078 17.0078 18.6745 18.6745 21.8152 21.8152 k = 0.3833 0.2213 0.3109 ( 1476 PWs) bands (ev): -6.7530 -6.7530 4.8084 4.8084 5.5551 5.5551 6.0855 6.0855 7.1701 7.1701 7.8565 7.8565 8.3747 8.3747 8.4677 8.4677 8.8032 8.8032 9.0122 9.0122 9.1216 9.1216 9.3113 9.3113 10.2129 10.2129 11.9677 11.9677 14.1257 14.1257 17.0999 17.0999 18.5132 18.5132 21.6731 21.6731 k = 0.3917 0.2261 0.3109 ( 1476 PWs) bands (ev): -6.7449 -6.7449 4.7861 4.7861 5.5520 5.5520 6.0839 6.0839 7.1638 7.1638 7.8747 7.8747 8.3941 8.3941 8.4709 8.4709 8.8128 8.8128 9.0279 9.0279 9.1409 9.1409 9.3301 9.3301 10.2090 10.2090 11.9653 11.9653 14.1751 14.1751 17.1876 17.1876 18.3629 18.3629 21.5345 21.5345 k = 0.4000 0.2309 0.3109 ( 1476 PWs) bands (ev): -6.7374 -6.7374 4.7651 4.7651 5.5487 5.5487 6.0823 6.0823 7.1581 7.1581 7.8914 7.8914 8.4105 8.4105 8.4740 8.4740 8.8225 8.8225 9.0438 9.0438 9.1597 9.1597 9.3495 9.3495 10.2066 10.2066 11.9627 11.9627 14.2215 14.2215 17.2689 17.2689 18.2262 18.2262 21.3999 21.3999 k = 0.4083 0.2358 0.3109 ( 1476 PWs) bands (ev): -6.7303 -6.7303 4.7455 4.7455 5.5452 5.5452 6.0807 6.0807 7.1527 7.1527 7.9065 7.9065 8.4237 8.4237 8.4773 8.4773 8.8318 8.8318 9.0596 9.0596 9.1779 9.1779 9.3694 9.3694 10.2055 10.2055 11.9601 11.9601 14.2649 14.2649 17.3397 17.3397 18.1071 18.1071 21.2699 21.2699 k = 0.4167 0.2406 0.3109 ( 1480 PWs) bands (ev): -6.7238 -6.7238 4.7274 4.7274 5.5417 5.5417 6.0791 6.0791 7.1477 7.1477 7.9202 7.9202 8.4340 8.4340 8.4807 8.4807 8.8407 8.8407 9.0751 9.0751 9.1951 9.1951 9.3895 9.3895 10.2058 10.2058 11.9575 11.9575 14.3051 14.3051 17.3934 17.3934 18.0125 18.0125 21.1449 21.1449 k = 0.4250 0.2454 0.3109 ( 1480 PWs) bands (ev): -6.7179 -6.7179 4.7109 4.7109 5.5381 5.5381 6.0776 6.0776 7.1433 7.1433 7.9325 7.9325 8.4418 8.4418 8.4843 8.4843 8.8490 8.8490 9.0901 9.0901 9.2112 9.2112 9.4095 9.4095 10.2071 10.2071 11.9550 11.9550 14.3419 14.3419 17.4199 17.4199 17.9522 17.9522 21.0259 21.0259 k = 0.4333 0.2502 0.3109 ( 1478 PWs) bands (ev): -6.7125 -6.7125 4.6960 4.6960 5.5348 5.5348 6.0762 6.0762 7.1393 7.1393 7.9434 7.9434 8.4475 8.4475 8.4877 8.4877 8.8565 8.8565 9.1040 9.1040 9.2261 9.2261 9.4290 9.4290 10.2096 10.2096 11.9526 11.9526 14.3753 14.3753 17.4119 17.4119 17.9333 17.9333 20.9136 20.9136 k = 0.4417 0.2550 0.3109 ( 1482 PWs) bands (ev): -6.7077 -6.7077 4.6828 4.6828 5.5315 5.5315 6.0749 6.0749 7.1357 7.1357 7.9529 7.9529 8.4516 8.4516 8.4907 8.4907 8.8632 8.8632 9.1167 9.1167 9.2395 9.2395 9.4476 9.4476 10.2128 10.2128 11.9502 11.9502 14.4050 14.4050 17.3752 17.3752 17.9499 17.9499 20.8092 20.8092 k = 0.4500 0.2598 0.3109 ( 1482 PWs) bands (ev): -6.7035 -6.7035 4.6712 4.6712 5.5287 5.5287 6.0738 6.0738 7.1326 7.1326 7.9611 7.9611 8.4546 8.4546 8.4934 8.4934 8.8690 8.8690 9.1280 9.1280 9.2513 9.2513 9.4647 9.4647 10.2165 10.2165 11.9481 11.9481 14.4311 14.4311 17.3240 17.3240 17.9869 17.9869 20.7138 20.7138 k = 0.4583 0.2646 0.3109 ( 1482 PWs) bands (ev): -6.7000 -6.7000 4.6613 4.6613 5.5261 5.5261 6.0728 6.0728 7.1300 7.1300 7.9680 7.9680 8.4567 8.4567 8.4956 8.4956 8.8739 8.8739 9.1377 9.1377 9.2614 9.2614 9.4799 9.4799 10.2204 10.2204 11.9463 11.9463 14.4533 14.4533 17.2705 17.2705 18.0315 18.0315 20.6290 20.6290 k = 0.4667 0.2694 0.3109 ( 1482 PWs) bands (ev): -6.6971 -6.6971 4.6533 4.6533 5.5240 5.5240 6.0719 6.0719 7.1279 7.1279 7.9736 7.9736 8.4583 8.4583 8.4974 8.4974 8.8780 8.8780 9.1457 9.1457 9.2698 9.2698 9.4929 9.4929 10.2242 10.2242 11.9447 11.9447 14.4716 14.4716 17.2215 17.2215 18.0757 18.0757 20.5562 20.5562 k = 0.4750 0.2742 0.3109 ( 1482 PWs) bands (ev): -6.6948 -6.6948 4.6469 4.6469 5.5223 5.5223 6.0713 6.0713 7.1263 7.1263 7.9780 7.9780 8.4593 8.4593 8.4986 8.4986 8.8811 8.8811 9.1521 9.1521 9.2763 9.2763 9.5034 9.5034 10.2276 10.2276 11.9435 11.9435 14.4859 14.4859 17.1808 17.1808 18.1145 18.1145 20.4971 20.4971 k = 0.4833 0.2791 0.3109 ( 1476 PWs) bands (ev): -6.6932 -6.6932 4.6425 4.6425 5.5211 5.5211 6.0708 6.0708 7.1252 7.1252 7.9812 7.9812 8.4601 8.4601 8.4996 8.4996 8.8834 8.8834 9.1566 9.1566 9.2810 9.2810 9.5110 9.5110 10.2303 10.2303 11.9426 11.9426 14.4962 14.4962 17.1507 17.1507 18.1445 18.1445 20.4536 20.4536 k = 0.4917 0.2839 0.3109 ( 1476 PWs) bands (ev): -6.6922 -6.6922 4.6397 4.6397 5.5204 5.5204 6.0705 6.0705 7.1245 7.1245 7.9830 7.9830 8.4605 8.4605 8.5001 8.5001 8.8847 8.8847 9.1594 9.1594 9.2838 9.2838 9.5156 9.5156 10.2320 10.2320 11.9420 11.9420 14.5023 14.5023 17.1323 17.1323 18.1634 18.1634 20.4267 20.4267 k = 0.5000 0.2887 0.3109 ( 1472 PWs) bands (ev): -6.6918 -6.6918 4.6388 4.6388 5.5201 5.5201 6.0705 6.0705 7.1243 7.1243 7.9837 7.9837 8.4607 8.4607 8.5003 8.5003 8.8852 8.8852 9.1603 9.1603 9.2848 9.2848 9.5172 9.5172 10.2326 10.2326 11.9419 11.9419 14.5044 14.5044 17.1260 17.1260 18.1699 18.1699 20.4177 20.4177 k = 0.5000 0.2887 0.3109 ( 1472 PWs) bands (ev): -6.6918 -6.6918 4.6388 4.6388 5.5201 5.5201 6.0705 6.0705 7.1243 7.1243 7.9837 7.9837 8.4607 8.4607 8.5003 8.5003 8.8852 8.8852 9.1603 9.1603 9.2848 9.2848 9.5172 9.5172 10.2326 10.2326 11.9419 11.9419 14.5044 14.5044 17.1260 17.1260 18.1699 18.1699 20.4177 20.4177 k = 0.4952 0.2969 0.3109 ( 1476 PWs) bands (ev): -6.6917 -6.6917 4.6395 4.6395 5.5206 5.5206 6.0681 6.0681 7.1261 7.1261 7.9849 7.9849 8.4476 8.4476 8.5092 8.5092 8.8863 8.8863 9.1591 9.1591 9.2860 9.2860 9.5178 9.5178 10.2353 10.2353 11.9386 11.9386 14.5062 14.5062 17.1262 17.1262 18.1736 18.1736 20.4180 20.4180 k = 0.4905 0.3052 0.3109 ( 1476 PWs) bands (ev): -6.6914 -6.6914 4.6414 4.6414 5.5219 5.5219 6.0614 6.0614 7.1315 7.1315 7.9884 7.9884 8.4222 8.4222 8.5224 8.5224 8.8899 8.8899 9.1557 9.1557 9.2896 9.2896 9.5195 9.5195 10.2434 10.2434 11.9290 11.9290 14.5116 14.5116 17.1266 17.1266 18.1849 18.1849 20.4191 20.4191 k = 0.4857 0.3134 0.3109 ( 1472 PWs) bands (ev): -6.6909 -6.6909 4.6446 4.6446 5.5242 5.5242 6.0504 6.0504 7.1405 7.1405 7.9942 7.9942 8.3929 8.3929 8.5311 8.5311 8.8967 8.8967 9.1502 9.1502 9.2953 9.2953 9.5224 9.5224 10.2568 10.2568 11.9131 11.9131 14.5206 14.5206 17.1272 17.1272 18.2037 18.2037 20.4210 20.4210 k = 0.4810 0.3217 0.3109 ( 1476 PWs) bands (ev): -6.6902 -6.6902 4.6490 4.6490 5.5274 5.5274 6.0354 6.0354 7.1526 7.1526 8.0020 8.0020 8.3618 8.3618 8.5334 8.5334 8.9071 8.9071 9.1428 9.1428 9.3025 9.3025 9.5262 9.5262 10.2753 10.2753 11.8911 11.8911 14.5330 14.5330 17.1280 17.1280 18.2298 18.2298 20.4235 20.4235 k = 0.4762 0.3299 0.3109 ( 1476 PWs) bands (ev): -6.6892 -6.6892 4.6547 4.6547 5.5313 5.5313 6.0168 6.0168 7.1677 7.1677 8.0113 8.0113 8.3301 8.3301 8.5289 8.5289 8.9213 8.9213 9.1338 9.1338 9.3107 9.3107 9.5309 9.5309 10.2987 10.2987 11.8634 11.8634 14.5486 14.5486 17.1290 17.1290 18.2633 18.2633 20.4268 20.4268 k = 0.4714 0.3382 0.3109 ( 1476 PWs) bands (ev): -6.6881 -6.6881 4.6615 4.6615 5.5361 5.5361 5.9949 5.9949 7.1855 7.1855 8.0218 8.0218 8.2986 8.2986 8.5182 8.5182 8.9389 8.9389 9.1235 9.1235 9.3196 9.3196 9.5365 9.5365 10.3266 10.3266 11.8303 11.8303 14.5674 14.5674 17.1302 17.1302 18.3038 18.3038 20.4309 20.4309 k = 0.4667 0.3464 0.3109 ( 1476 PWs) bands (ev): -6.6868 -6.6868 4.6695 4.6695 5.5417 5.5417 5.9702 5.9702 7.2057 7.2057 8.0324 8.0324 8.2681 8.2681 8.5024 8.5024 8.9589 8.9589 9.1120 9.1120 9.3289 9.3289 9.5428 9.5428 10.3587 10.3587 11.7921 11.7921 14.5891 14.5891 17.1314 17.1314 18.3512 18.3512 20.4357 20.4357 k = 0.4619 0.3547 0.3109 ( 1476 PWs) bands (ev): -6.6853 -6.6853 4.6786 4.6786 5.5480 5.5480 5.9432 5.9432 7.2280 7.2280 8.0419 8.0419 8.2399 8.2399 8.4829 8.4829 8.9805 8.9805 9.0997 9.0997 9.3384 9.3384 9.5500 9.5500 10.3947 10.3947 11.7493 11.7493 14.6135 14.6135 17.1326 17.1326 18.4053 18.4053 20.4412 20.4412 k = 0.4571 0.3629 0.3109 ( 1480 PWs) bands (ev): -6.6836 -6.6836 4.6888 4.6888 5.5549 5.5549 5.9141 5.9141 7.2519 7.2519 8.0483 8.0483 8.2155 8.2155 8.4610 8.4610 9.0022 9.0022 9.0868 9.0868 9.3482 9.3482 9.5579 9.5579 10.4340 10.4340 11.7022 11.7022 14.6406 14.6406 17.1337 17.1337 18.4659 18.4659 20.4476 20.4476 k = 0.4524 0.3712 0.3109 ( 1480 PWs) bands (ev): -6.6818 -6.6818 4.6999 4.6999 5.5622 5.5622 5.8837 5.8837 7.2773 7.2773 8.0492 8.0492 8.1974 8.1974 8.4382 8.4382 9.0228 9.0228 9.0739 9.0739 9.3582 9.3582 9.5669 9.5669 10.4763 10.4763 11.6515 11.6515 14.6701 14.6701 17.1345 17.1345 18.5327 18.5327 20.4547 20.4547 k = 0.4476 0.3794 0.3109 ( 1480 PWs) bands (ev): -6.6799 -6.6799 4.7121 4.7121 5.5698 5.5698 5.8523 5.8523 7.3039 7.3039 8.0424 8.0424 8.1867 8.1867 8.4159 8.4159 9.0384 9.0384 9.0644 9.0644 9.3685 9.3685 9.5771 9.5771 10.5210 10.5210 11.5976 11.5976 14.7019 14.7019 17.1350 17.1350 18.6055 18.6055 20.4626 20.4626 k = 0.4429 0.3876 0.3109 ( 1480 PWs) bands (ev): -6.6777 -6.6777 4.7250 4.7250 5.5775 5.5775 5.8204 5.8204 7.3315 7.3315 8.0280 8.0280 8.1823 8.1823 8.3955 8.3955 9.0366 9.0366 9.0698 9.0698 9.3793 9.3793 9.5887 9.5887 10.5677 10.5677 11.5408 11.5408 14.7360 14.7360 17.1349 17.1349 18.6839 18.6839 20.4714 20.4714 k = 0.4381 0.3959 0.3109 ( 1482 PWs) bands (ev): -6.6755 -6.6755 4.7388 4.7388 5.5848 5.5848 5.7887 5.7887 7.3596 7.3596 8.0085 8.0085 8.1805 8.1805 8.3788 8.3788 9.0243 9.0243 9.0832 9.0832 9.3907 9.3907 9.6020 9.6020 10.6160 10.6160 11.4816 11.4816 14.7721 14.7721 17.1341 17.1341 18.7677 18.7677 20.4809 20.4809 k = 0.4333 0.4041 0.3109 ( 1482 PWs) bands (ev): -6.6732 -6.6732 4.7534 4.7534 5.5908 5.5908 5.7582 5.7582 7.3880 7.3880 7.9867 7.9867 8.1773 8.1773 8.3674 8.3674 9.0103 9.0103 9.0954 9.0954 9.4026 9.4026 9.6171 9.6171 10.6655 10.6655 11.4204 11.4204 14.8104 14.8104 17.1323 17.1323 18.8565 18.8565 20.4914 20.4914 k = 0.4286 0.4124 0.3109 ( 1482 PWs) bands (ev): -6.6708 -6.6708 4.7685 4.7685 5.5940 5.5940 5.7305 5.7305 7.4165 7.4165 7.9643 7.9643 8.1705 8.1705 8.3620 8.3620 8.9962 8.9962 9.1049 9.1049 9.4151 9.4151 9.6343 9.6343 10.7156 10.7156 11.3578 11.3578 14.8507 14.8507 17.1292 17.1292 18.9501 18.9501 20.5027 20.5027 k = 0.4238 0.4206 0.3109 ( 1482 PWs) bands (ev): -6.6683 -6.6683 4.7843 4.7843 5.5918 5.5918 5.7085 5.7085 7.4445 7.4445 7.9426 7.9426 8.1595 8.1595 8.3623 8.3623 8.9824 8.9824 9.1113 9.1113 9.4282 9.4282 9.6536 9.6536 10.7658 10.7658 11.2942 11.2942 14.8931 14.8931 17.1245 17.1245 19.0481 19.0481 20.5149 20.5149 k = 0.4190 0.4289 0.3109 ( 1482 PWs) bands (ev): -6.6657 -6.6657 4.8006 4.8006 5.5808 5.5808 5.6955 5.6955 7.4716 7.4716 7.9223 7.9223 8.1455 8.1455 8.3666 8.3666 8.9691 8.9691 9.1148 9.1148 9.4417 9.4417 9.6750 9.6750 10.8155 10.8155 11.2302 11.2302 14.9375 14.9375 17.1179 17.1179 19.1503 19.1503 20.5280 20.5280 k = 0.4143 0.4371 0.3109 ( 1486 PWs) bands (ev): -6.6631 -6.6631 4.8173 4.8173 5.5608 5.5608 5.6918 5.6918 7.4973 7.4973 7.9042 7.9042 8.1299 8.1299 8.3732 8.3732 8.9564 8.9564 9.1153 9.1153 9.4556 9.4556 9.6984 9.6984 10.8636 10.8636 11.1669 11.1669 14.9841 14.9841 17.1089 17.1089 19.2561 19.2561 20.5420 20.5420 k = 0.4095 0.4454 0.3109 ( 1486 PWs) bands (ev): -6.6605 -6.6605 4.8344 4.8344 5.5347 5.5347 5.6946 5.6946 7.5210 7.5210 7.8885 7.8885 8.1143 8.1143 8.3806 8.3806 8.9447 8.9447 9.1133 9.1133 9.4701 9.4701 9.7236 9.7236 10.9074 10.9074 11.1071 11.1071 15.0328 15.0328 17.0971 17.0971 19.3652 19.3652 20.5569 20.5569 k = 0.4048 0.4536 0.3109 ( 1486 PWs) bands (ev): -6.6579 -6.6579 4.8517 4.8517 5.5055 5.5055 5.7009 5.7009 7.5422 7.5422 7.8756 7.8756 8.1000 8.1000 8.3879 8.3879 8.9339 8.9339 9.1090 9.1090 9.4850 9.4850 9.7504 9.7504 10.9365 10.9365 11.0610 11.0610 15.0837 15.0837 17.0819 17.0819 19.4772 19.4772 20.5606 20.5606 k = 0.4000 0.4619 0.3109 ( 1486 PWs) bands (ev): -6.6553 -6.6553 4.8693 4.8693 5.4750 5.4750 5.7090 5.7090 7.5604 7.5604 7.8655 7.8655 8.0879 8.0879 8.3942 8.3942 8.9240 8.9240 9.1026 9.1026 9.5006 9.5006 9.7785 9.7785 10.9222 10.9222 11.0574 11.0574 15.1370 15.1370 17.0627 17.0627 19.5912 19.5912 20.4000 20.4000 k = 0.3952 0.4701 0.3109 ( 1482 PWs) bands (ev): -6.6527 -6.6527 4.8871 4.8871 5.4442 5.4442 5.7178 5.7178 7.5751 7.5751 7.8580 7.8580 8.0789 8.0789 8.3994 8.3994 8.9151 8.9151 9.0943 9.0943 9.5169 9.5169 9.8076 9.8076 10.8718 10.8718 11.0888 11.0888 15.1926 15.1926 17.0390 17.0390 19.7056 19.7056 20.2463 20.2463 k = 0.3905 0.4784 0.3109 ( 1478 PWs) bands (ev): -6.6502 -6.6502 4.9049 4.9049 5.4135 5.4135 5.7267 5.7267 7.5864 7.5864 7.8524 7.8524 8.0736 8.0736 8.4035 8.4035 8.9072 8.9072 9.0846 9.0846 9.5338 9.5338 9.8374 9.8374 10.8120 10.8120 11.1287 11.1287 15.2506 15.2506 17.0100 17.0100 19.8148 19.8148 20.1097 20.1097 k = 0.3857 0.4866 0.3109 ( 1474 PWs) bands (ev): -6.6478 -6.6478 4.9228 4.9228 5.3834 5.3834 5.7355 5.7355 7.5945 7.5945 7.8482 7.8482 8.0724 8.0724 8.4064 8.4064 8.9002 8.9002 9.0735 9.0735 9.5515 9.5515 9.8676 9.8676 10.7502 10.7502 11.1695 11.1695 15.3112 15.3112 16.9752 16.9752 19.8743 19.8743 20.0351 20.0351 k = 0.3810 0.4949 0.3109 ( 1474 PWs) bands (ev): -6.6455 -6.6455 4.9406 4.9406 5.3540 5.3540 5.7439 5.7439 7.6000 7.6000 7.8444 7.8444 8.0751 8.0751 8.4086 8.4086 8.8939 8.8939 9.0612 9.0612 9.5697 9.5697 9.8980 9.8980 10.6885 10.6885 11.2091 11.2091 15.3745 15.3745 16.9340 16.9340 19.8000 19.8000 20.1070 20.1070 k = 0.3762 0.5031 0.3109 ( 1470 PWs) bands (ev): -6.6433 -6.6433 4.9584 4.9584 5.3255 5.3255 5.7517 5.7517 7.6037 7.6037 7.8409 7.8409 8.0811 8.0811 8.4103 8.4103 8.8884 8.8884 9.0480 9.0480 9.5885 9.5885 9.9284 9.9284 10.6278 10.6278 11.2467 11.2467 15.4404 15.4404 16.8860 16.8860 19.6964 19.6964 20.2209 20.2209 k = 0.3714 0.5114 0.3109 ( 1466 PWs) bands (ev): -6.6412 -6.6412 4.9760 4.9760 5.2982 5.2982 5.7588 5.7588 7.6059 7.6059 7.8373 7.8373 8.0892 8.0892 8.4121 8.4121 8.8837 8.8837 9.0340 9.0340 9.6076 9.6076 9.9586 9.9586 10.5687 10.5687 11.2816 11.2816 15.5092 15.5092 16.8308 16.8308 19.5993 19.5993 20.3408 20.3408 k = 0.3667 0.5196 0.3109 ( 1470 PWs) bands (ev): -6.6393 -6.6393 4.9933 4.9933 5.2720 5.2720 5.7651 5.7651 7.6072 7.6072 7.8338 7.8338 8.0983 8.0983 8.4144 8.4144 8.8800 8.8800 9.0194 9.0194 9.6267 9.6267 9.9882 9.9882 10.5116 10.5116 11.3135 11.3135 15.5809 15.5809 16.7685 16.7685 19.5136 19.5136 20.4609 20.4609 k = 0.3619 0.5279 0.3109 ( 1470 PWs) bands (ev): -6.6376 -6.6376 5.0104 5.0104 5.2471 5.2471 5.7705 5.7705 7.6081 7.6081 7.8307 7.8307 8.1072 8.1072 8.4174 8.4174 8.8774 8.8774 9.0044 9.0044 9.6455 9.6455 10.0172 10.0172 10.4572 10.4572 11.3420 11.3420 15.6555 15.6555 16.6994 16.6994 19.4404 19.4404 20.5787 20.5787 k = 0.3571 0.5361 0.3109 ( 1470 PWs) bands (ev): -6.6361 -6.6361 5.0271 5.0271 5.2238 5.2238 5.7751 5.7751 7.6087 7.6087 7.8281 7.8281 8.1151 8.1151 8.4213 8.4213 8.8761 8.8761 8.9893 8.9893 9.6635 9.6635 10.0451 10.0451 10.4060 10.4060 11.3668 11.3668 15.7332 15.7332 16.6237 16.6237 19.3799 19.3799 20.6910 20.6910 k = 0.3524 0.5444 0.3109 ( 1466 PWs) bands (ev): -6.6349 -6.6349 5.0432 5.0432 5.2021 5.2021 5.7787 5.7787 7.6091 7.6091 7.8263 7.8263 8.1214 8.1214 8.4258 8.4258 8.8765 8.8765 8.9744 8.9744 9.6802 9.6802 10.0715 10.0715 10.3591 10.3591 11.3876 11.3876 15.8138 15.8138 16.5424 16.5424 19.3318 19.3318 20.7925 20.7925 k = 0.3476 0.5526 0.3109 ( 1454 PWs) bands (ev): -6.6339 -6.6339 5.0584 5.0584 5.1826 5.1826 5.7816 5.7816 7.6096 7.6096 7.8253 7.8253 8.1259 8.1259 8.4306 8.4306 8.8790 8.8790 8.9600 8.9600 9.6949 9.6949 10.0956 10.0956 10.3179 10.3179 11.4042 11.4042 15.8975 15.8975 16.4565 16.4565 19.2958 19.2958 20.8557 20.8557 k = 0.3429 0.5609 0.3109 ( 1454 PWs) bands (ev): -6.6331 -6.6331 5.0719 5.0719 5.1659 5.1659 5.7835 5.7835 7.6098 7.6098 7.8248 7.8248 8.1286 8.1286 8.4347 8.4347 8.8831 8.8831 8.9466 8.9466 9.7066 9.7066 10.1156 10.1156 10.2845 10.2845 11.4162 11.4162 15.9836 15.9836 16.3672 16.3672 19.2710 19.2710 20.8914 20.8914 k = 0.3381 0.5691 0.3109 ( 1454 PWs) bands (ev): -6.6326 -6.6326 5.0822 5.0822 5.1538 5.1538 5.7846 5.7846 7.6099 7.6099 7.8247 7.8247 8.1299 8.1299 8.4377 8.4377 8.8882 8.8882 8.9356 8.9356 9.7144 9.7144 10.1290 10.1290 10.2625 10.2625 11.4236 11.4236 16.0705 16.0705 16.2778 16.2778 19.2567 19.2567 20.9263 20.9263 k = 0.3333 0.5774 0.3109 ( 1452 PWs) bands (ev): -6.6325 -6.6325 5.0862 5.0862 5.1492 5.1492 5.7849 5.7849 7.6100 7.6100 7.8247 7.8247 8.1302 8.1302 8.4387 8.4387 8.8911 8.8911 8.9307 8.9307 9.7172 9.7172 10.1334 10.1334 10.2552 10.2552 11.4261 11.4261 16.1320 16.1320 16.2151 16.2151 19.2522 19.2522 20.9537 20.9537 k = 0.3333 0.5774 0.3109 ( 1452 PWs) bands (ev): -6.6325 -6.6325 5.0862 5.0862 5.1492 5.1492 5.7849 5.7849 7.6100 7.6100 7.8247 7.8247 8.1302 8.1302 8.4387 8.4387 8.8911 8.8911 8.9307 8.9307 9.7172 9.7172 10.1334 10.1334 10.2552 10.2552 11.4261 11.4261 16.1320 16.1320 16.2151 16.2151 19.2522 19.2522 20.9537 20.9537 k = 0.3285 0.5690 0.3109 ( 1456 PWs) bands (ev): -6.6327 -6.6327 5.0824 5.0824 5.1535 5.1535 5.7846 5.7846 7.6099 7.6099 7.8245 7.8245 8.1300 8.1300 8.4375 8.4375 8.8876 8.8876 8.9364 8.9364 9.7140 9.7140 10.1306 10.1306 10.2611 10.2611 11.4235 11.4235 16.0674 16.0674 16.2812 16.2812 19.2566 19.2566 20.9034 20.9034 k = 0.3237 0.5606 0.3109 ( 1460 PWs) bands (ev): -6.6332 -6.6332 5.0741 5.0741 5.1639 5.1639 5.7836 5.7836 7.6097 7.6097 7.8238 7.8238 8.1295 8.1295 8.4338 8.4338 8.8796 8.8796 8.9505 8.9505 9.7044 9.7044 10.1268 10.1268 10.2748 10.2748 11.4157 11.4157 15.9738 15.9738 16.3798 16.3798 19.2694 19.2694 20.8051 20.8051 k = 0.3188 0.5522 0.3109 ( 1460 PWs) bands (ev): -6.6341 -6.6341 5.0644 5.0644 5.1771 5.1771 5.7821 5.7821 7.6094 7.6094 7.8224 7.8224 8.1292 8.1292 8.4277 8.4277 8.8708 8.8708 8.9692 8.9692 9.6885 9.6885 10.1261 10.1261 10.2916 10.2916 11.4030 11.4030 15.8785 15.8785 16.4846 16.4846 19.2899 19.2899 20.6804 20.6804 k = 0.3140 0.5439 0.3109 ( 1460 PWs) bands (ev): -6.6353 -6.6353 5.0549 5.0549 5.1916 5.1916 5.7801 5.7801 7.6090 7.6090 7.8199 7.8199 8.1290 8.1290 8.4195 8.4195 8.8628 8.8628 8.9908 8.9908 9.6671 9.6671 10.1297 10.1297 10.3091 10.3091 11.3853 11.3853 15.7841 15.7841 16.5935 16.5935 19.3174 19.3174 20.5396 20.5396 k = 0.3092 0.5355 0.3109 ( 1464 PWs) bands (ev): -6.6370 -6.6370 5.0462 5.0462 5.2066 5.2066 5.7777 5.7777 7.6083 7.6083 7.8164 7.8164 8.1288 8.1288 8.4094 8.4094 8.8561 8.8561 9.0140 9.0140 9.6415 9.6415 10.1376 10.1376 10.3258 10.3258 11.3630 11.3630 15.6916 15.6916 16.7061 16.7061 19.3513 19.3513 20.3895 20.3895 k = 0.3043 0.5271 0.3109 ( 1468 PWs) bands (ev): -6.6390 -6.6390 5.0388 5.0388 5.2220 5.2220 5.7749 5.7749 7.6073 7.6073 7.8117 7.8117 8.1286 8.1286 8.3978 8.3978 8.8512 8.8512 9.0383 9.0383 9.6128 9.6128 10.1489 10.1489 10.3409 10.3409 11.3366 11.3366 15.6016 15.6016 16.8220 16.8220 19.3910 19.3910 20.2346 20.2346 k = 0.2995 0.5188 0.3109 ( 1468 PWs) bands (ev): -6.6415 -6.6415 5.0328 5.0328 5.2376 5.2376 5.7720 5.7720 7.6061 7.6061 7.8059 7.8059 8.1282 8.1282 8.3853 8.3853 8.8482 8.8482 9.0629 9.0629 9.5820 9.5820 10.1628 10.1628 10.3535 10.3535 11.3067 11.3067 15.5145 15.5145 16.9410 16.9410 19.4360 19.4360 20.0778 20.0778 k = 0.2947 0.5104 0.3109 ( 1468 PWs) bands (ev): -6.6444 -6.6444 5.0281 5.0281 5.2533 5.2533 5.7688 5.7688 7.6044 7.6044 7.7993 7.7993 8.1274 8.1274 8.3722 8.3722 8.8472 8.8472 9.0874 9.0874 9.5501 9.5501 10.1787 10.1787 10.3630 10.3630 11.2742 11.2742 15.4304 15.4304 17.0627 17.0627 19.4852 19.4852 19.9218 19.9218 k = 0.2899 0.5020 0.3109 ( 1472 PWs) bands (ev): -6.6477 -6.6477 5.0249 5.0249 5.2692 5.2692 5.7654 5.7654 7.6022 7.6022 7.7918 7.7918 8.1260 8.1260 8.3586 8.3586 8.8481 8.8481 9.1112 9.1112 9.5176 9.5176 10.1958 10.1958 10.3685 10.3685 11.2402 11.2402 15.3496 15.3496 17.1867 17.1867 19.5355 19.5355 19.7713 19.7713 k = 0.2850 0.4937 0.3109 ( 1472 PWs) bands (ev): -6.6515 -6.6515 5.0232 5.0232 5.2853 5.2853 5.7619 5.7619 7.5994 7.5994 7.7837 7.7837 8.1240 8.1240 8.3451 8.3451 8.8508 8.8508 9.1338 9.1338 9.4850 9.4850 10.2137 10.2137 10.3690 10.3690 11.2061 11.2061 15.2718 15.2718 17.3122 17.3122 19.5536 19.5536 19.6605 19.6605 k = 0.2802 0.4853 0.3109 ( 1468 PWs) bands (ev): -6.6557 -6.6557 5.0230 5.0230 5.3016 5.3016 5.7583 5.7583 7.5960 7.5960 7.7751 7.7751 8.1214 8.1214 8.3320 8.3320 8.8550 8.8550 9.1550 9.1550 9.4529 9.4529 10.2318 10.2318 10.3637 10.3637 11.1733 11.1733 15.1971 15.1971 17.4380 17.4380 19.4430 19.4430 19.6878 19.6878 k = 0.2754 0.4769 0.3109 ( 1468 PWs) bands (ev): -6.6604 -6.6604 5.0243 5.0243 5.3180 5.3180 5.7546 5.7546 7.5918 7.5918 7.7660 7.7660 8.1182 8.1182 8.3191 8.3191 8.8605 8.8605 9.1744 9.1744 9.4214 9.4214 10.2495 10.2495 10.3518 10.3518 11.1433 11.1433 15.1252 15.1252 17.5623 17.5623 19.3063 19.3063 19.7524 19.7524 k = 0.2705 0.4686 0.3109 ( 1468 PWs) bands (ev): -6.6655 -6.6655 5.0270 5.0270 5.3347 5.3347 5.7508 5.7508 7.5868 7.5868 7.7564 7.7564 8.1146 8.1146 8.3068 8.3068 8.8669 8.8669 9.1915 9.1915 9.3911 9.3911 10.2645 10.2645 10.3345 10.3345 11.1177 11.1177 15.0558 15.0558 17.6821 17.6821 19.1760 19.1760 19.8252 19.8252 k = 0.2657 0.4602 0.3109 ( 1468 PWs) bands (ev): -6.6711 -6.6711 5.0312 5.0312 5.3516 5.3516 5.7469 5.7469 7.5811 7.5811 7.7464 7.7464 8.1108 8.1108 8.2953 8.2953 8.8737 8.8737 9.2059 9.2059 9.3626 9.3626 10.2676 10.2676 10.3204 10.3204 11.0975 11.0975 14.9887 14.9887 17.7920 17.7920 19.0604 19.0604 19.9032 19.9032 k = 0.2609 0.4518 0.3109 ( 1472 PWs) bands (ev): -6.6771 -6.6771 5.0368 5.0368 5.3688 5.3688 5.7429 5.7429 7.5746 7.5746 7.7360 7.7360 8.1069 8.1069 8.2845 8.2845 8.8804 8.8804 9.2167 9.2167 9.3366 9.3366 10.2424 10.2424 10.3255 10.3255 11.0834 11.0834 14.9235 14.9235 17.8830 17.8830 18.9691 18.9691 19.9859 19.9859 k = 0.2560 0.4435 0.3109 ( 1464 PWs) bands (ev): -6.6836 -6.6836 5.0438 5.0438 5.3863 5.3863 5.7387 5.7387 7.5675 7.5675 7.7251 7.7251 8.1033 8.1033 8.2749 8.2749 8.8866 8.8866 9.2225 9.2225 9.3148 9.3148 10.1985 10.1985 10.3409 10.3409 11.0755 11.0755 14.8599 14.8599 17.9418 17.9418 18.9160 18.9160 20.0730 20.0730 k = 0.2512 0.4351 0.3109 ( 1466 PWs) bands (ev): -6.6905 -6.6905 5.0521 5.0521 5.4040 5.4040 5.7343 5.7343 7.5597 7.5597 7.7138 7.7138 8.0999 8.0999 8.2661 8.2661 8.8917 8.8917 9.2209 9.2209 9.2995 9.2995 10.1445 10.1445 10.3586 10.3586 11.0734 11.0734 14.7975 14.7975 17.9550 17.9550 18.9145 18.9145 20.1644 20.1644 k = 0.2464 0.4267 0.3109 ( 1474 PWs) bands (ev): -6.6978 -6.6978 5.0617 5.0617 5.4220 5.4220 5.7297 5.7297 7.5514 7.5514 7.7019 7.7019 8.0969 8.0969 8.2582 8.2582 8.8950 8.8950 9.2113 9.2113 9.2915 9.2915 10.0834 10.0834 10.3771 10.3771 11.0763 11.0763 14.7360 14.7360 17.9197 17.9197 18.9674 18.9674 20.2600 20.2600 k = 0.2415 0.4184 0.3109 ( 1474 PWs) bands (ev): -6.7056 -6.7056 5.0726 5.0726 5.4404 5.4404 5.7248 5.7248 7.5429 7.5429 7.6897 7.6897 8.0944 8.0944 8.2514 8.2514 8.8963 8.8963 9.1965 9.1965 9.2886 9.2886 10.0173 10.0173 10.3957 10.3957 11.0836 11.0836 14.6750 14.6750 17.8466 17.8466 19.0643 19.0643 20.3597 20.3597 k = 0.2367 0.4100 0.3109 ( 1478 PWs) bands (ev): -6.7138 -6.7138 5.0847 5.0847 5.4589 5.4589 5.7196 5.7196 7.5340 7.5340 7.6772 7.6772 8.0922 8.0922 8.2456 8.2456 8.8951 8.8951 9.1798 9.1798 9.2873 9.2873 9.9475 9.9475 10.4143 10.4143 11.0944 11.0944 14.6142 14.6142 17.7494 17.7494 19.1912 19.1912 20.4636 20.4636 k = 0.2319 0.4016 0.3109 ( 1478 PWs) bands (ev): -6.7224 -6.7224 5.0981 5.0981 5.4777 5.4777 5.7142 5.7142 7.5249 7.5249 7.6644 7.6644 8.0904 8.0904 8.2408 8.2408 8.8909 8.8909 9.1634 9.1634 9.2857 9.2857 9.8757 9.8757 10.4327 10.4327 11.1081 11.1081 14.5534 14.5534 17.6386 17.6386 19.3378 19.3378 20.5716 20.5716 k = 0.2271 0.3933 0.3109 ( 1478 PWs) bands (ev): -6.7313 -6.7313 5.1125 5.1125 5.4965 5.4965 5.7084 5.7084 7.5158 7.5158 7.6516 7.6516 8.0889 8.0889 8.2369 8.2369 8.8836 8.8836 9.1481 9.1481 9.2829 9.2829 9.8031 9.8031 10.4509 10.4509 11.1240 11.1240 14.4923 14.4923 17.5204 17.5204 19.4978 19.4978 20.6838 20.6838 k = 0.2222 0.3849 0.3109 ( 1478 PWs) bands (ev): -6.7407 -6.7407 5.1281 5.1281 5.5153 5.5153 5.7023 5.7023 7.5067 7.5067 7.6388 7.6388 8.0874 8.0874 8.2338 8.2338 8.8732 8.8732 9.1342 9.1342 9.2785 9.2785 9.7310 9.7310 10.4688 10.4688 11.1416 11.1416 14.4306 14.4306 17.3982 17.3982 19.6674 19.6674 20.8000 20.8000 k = 0.2174 0.3765 0.3109 ( 1478 PWs) bands (ev): -6.7504 -6.7504 5.1446 5.1446 5.5336 5.5336 5.6963 5.6963 7.4977 7.4977 7.6262 7.6262 8.0858 8.0858 8.2314 8.2314 8.8601 8.8601 9.1215 9.1215 9.2721 9.2721 9.6606 9.6606 10.4865 10.4865 11.1606 11.1606 14.3681 14.3681 17.2743 17.2743 19.8445 19.8445 20.9203 20.9203 k = 0.2126 0.3682 0.3109 ( 1482 PWs) bands (ev): -6.7605 -6.7605 5.1621 5.1621 5.5510 5.5510 5.6907 5.6907 7.4888 7.4888 7.6139 7.6139 8.0837 8.0837 8.2296 8.2296 8.8446 8.8446 9.1093 9.1093 9.2637 9.2637 9.5929 9.5929 10.5040 10.5040 11.1804 11.1804 14.3048 14.3048 17.1498 17.1498 20.0276 20.0276 21.0447 21.0447 k = 0.2077 0.3598 0.3109 ( 1486 PWs) bands (ev): -6.7708 -6.7708 5.1805 5.1805 5.5664 5.5664 5.6862 5.6862 7.4802 7.4802 7.6021 7.6021 8.0811 8.0811 8.2283 8.2283 8.8272 8.8272 9.0973 9.0973 9.2529 9.2529 9.5293 9.5293 10.5212 10.5212 11.2010 11.2010 14.2403 14.2403 17.0256 17.0256 20.2157 20.2157 21.1731 21.1731 k = 0.2029 0.3514 0.3109 ( 1490 PWs) bands (ev): -6.7815 -6.7815 5.1998 5.1998 5.5781 5.5781 5.6846 5.6846 7.4720 7.4720 7.5908 7.5908 8.0775 8.0775 8.2275 8.2275 8.8084 8.8084 9.0847 9.0847 9.2395 9.2395 9.4710 9.4710 10.5383 10.5383 11.2220 11.2220 14.1747 14.1747 16.9022 16.9022 20.4083 20.4083 21.3055 21.3055 k = 0.1981 0.3431 0.3109 ( 1490 PWs) bands (ev): -6.7925 -6.7925 5.2198 5.2198 5.5840 5.5840 5.6878 5.6878 7.4642 7.4642 7.5802 7.5802 8.0727 8.0727 8.2272 8.2272 8.7890 8.7890 9.0710 9.0710 9.2233 9.2233 9.4194 9.4194 10.5553 10.5553 11.2433 11.2433 14.1079 14.1079 16.7798 16.7798 20.6047 20.6047 21.4419 21.4419 k = 0.1932 0.3347 0.3109 ( 1486 PWs) bands (ev): -6.8037 -6.8037 5.2405 5.2405 5.5830 5.5830 5.6969 5.6969 7.4568 7.4568 7.5704 7.5704 8.0664 8.0664 8.2275 8.2275 8.7692 8.7692 9.0558 9.0558 9.2040 9.2040 9.3755 9.3755 10.5722 10.5722 11.2646 11.2646 14.0398 14.0398 16.6586 16.6586 20.8044 20.8044 21.5822 21.5822 k = 0.1884 0.3263 0.3109 ( 1482 PWs) bands (ev): -6.8152 -6.8152 5.2619 5.2619 5.5757 5.5757 5.7110 5.7110 7.4502 7.4502 7.5612 7.5612 8.0581 8.0581 8.2282 8.2282 8.7495 8.7495 9.0387 9.0387 9.1819 9.1819 9.3394 9.3394 10.5891 10.5891 11.2858 11.2858 13.9703 13.9703 16.5389 16.5389 21.0072 21.0072 21.7263 21.7263 k = 0.1836 0.3180 0.3109 ( 1482 PWs) bands (ev): -6.8268 -6.8268 5.2838 5.2838 5.5636 5.5636 5.7283 5.7283 7.4440 7.4440 7.5527 7.5527 8.0478 8.0478 8.2294 8.2294 8.7303 8.7303 9.0197 9.0197 9.1581 9.1581 9.3105 9.3105 10.6061 10.6061 11.3069 11.3069 13.8995 13.8995 16.4205 16.4205 21.2125 21.2125 21.8741 21.8741 k = 0.1787 0.3096 0.3109 ( 1482 PWs) bands (ev): -6.8387 -6.8387 5.3061 5.3061 5.5480 5.5480 5.7477 5.7477 7.4386 7.4386 7.5450 7.5450 8.0353 8.0353 8.2312 8.2312 8.7118 8.7118 8.9993 8.9993 9.1338 9.1338 9.2872 9.2872 10.6231 10.6231 11.3276 11.3276 13.8273 13.8273 16.3035 16.3035 21.4200 21.4200 22.0255 22.0255 k = 0.1739 0.3012 0.3109 ( 1482 PWs) bands (ev): -6.8507 -6.8507 5.3287 5.3287 5.5298 5.5298 5.7680 5.7680 7.4338 7.4338 7.5379 7.5379 8.0207 8.0207 8.2334 8.2334 8.6943 8.6943 8.9781 8.9781 9.1102 9.1102 9.2680 9.2680 10.6404 10.6404 11.3479 11.3479 13.7538 13.7538 16.1879 16.1879 21.6292 21.6292 22.1804 22.1804 k = 0.1691 0.2929 0.3109 ( 1482 PWs) bands (ev): -6.8628 -6.8628 5.3513 5.3513 5.5094 5.5094 5.7889 5.7889 7.4298 7.4298 7.5314 7.5314 8.0045 8.0045 8.2360 8.2360 8.6780 8.6780 8.9571 8.9571 9.0877 9.0877 9.2514 9.2514 10.6580 10.6580 11.3677 11.3677 13.6790 13.6790 16.0737 16.0737 21.8396 21.8396 22.3387 22.3387 k = 0.1643 0.2845 0.3109 ( 1482 PWs) bands (ev): -6.8750 -6.8750 5.3735 5.3735 5.4877 5.4877 5.8099 5.8099 7.4266 7.4266 7.5255 7.5255 7.9871 7.9871 8.2387 8.2387 8.6631 8.6631 8.9370 8.9370 9.0664 9.0664 9.2365 9.2365 10.6759 10.6759 11.3870 11.3870 13.6031 13.6031 15.9609 15.9609 22.0504 22.0504 22.5001 22.5001 k = 0.1594 0.2761 0.3109 ( 1488 PWs) bands (ev): -6.8874 -6.8874 5.3935 5.3935 5.4664 5.4664 5.8308 5.8308 7.4241 7.4241 7.5202 7.5202 7.9689 7.9689 8.2412 8.2412 8.6495 8.6495 8.9184 8.9184 9.0462 9.0462 9.2228 9.2228 10.6944 10.6944 11.4057 11.4057 13.5260 13.5260 15.8493 15.8493 22.2607 22.2607 22.6646 22.6646 k = 0.1546 0.2678 0.3109 ( 1482 PWs) bands (ev): -6.8997 -6.8997 5.4038 5.4038 5.4534 5.4534 5.8512 5.8512 7.4225 7.4225 7.5155 7.5155 7.9506 7.9506 8.2435 8.2435 8.6377 8.6377 8.9017 8.9017 9.0273 9.0273 9.2101 9.2101 10.7134 10.7134 11.4238 11.4238 13.4479 13.4479 15.7389 15.7389 22.4693 22.4693 22.8318 22.8318 k = 0.1498 0.2594 0.3109 ( 1486 PWs) bands (ev): -6.9121 -6.9121 5.3906 5.3906 5.4621 5.4621 5.8710 5.8710 7.4214 7.4214 7.5113 7.5113 7.9329 7.9329 8.2450 8.2450 8.6273 8.6273 8.8868 8.8868 9.0094 9.0094 9.1978 9.1978 10.7332 10.7332 11.4412 11.4412 13.3689 13.3689 15.6297 15.6297 22.6742 22.6742 23.0015 23.0015 k = 0.1449 0.2510 0.3109 ( 1490 PWs) bands (ev): -6.9244 -6.9244 5.3646 5.3646 5.4821 5.4821 5.8901 5.8901 7.4209 7.4209 7.5077 7.5077 7.9162 7.9162 8.2456 8.2456 8.6189 8.6189 8.8738 8.8738 8.9927 8.9927 9.1859 9.1859 10.7537 10.7537 11.4578 11.4578 13.2891 13.2891 15.5216 15.5216 22.8727 22.8727 23.1735 23.1735 k = 0.1401 0.2427 0.3109 ( 1494 PWs) bands (ev): -6.9367 -6.9367 5.3345 5.3345 5.5048 5.5048 5.9082 5.9082 7.4209 7.4209 7.5047 7.5047 7.9009 7.9009 8.2451 8.2451 8.6125 8.6125 8.8624 8.8624 8.9774 8.9774 9.1743 9.1743 10.7752 10.7752 11.4737 11.4737 13.2086 13.2086 15.4145 15.4145 23.0606 23.0606 23.3475 23.3475 k = 0.1353 0.2343 0.3109 ( 1498 PWs) bands (ev): -6.9490 -6.9490 5.3022 5.3022 5.5283 5.5283 5.9252 5.9252 7.4214 7.4214 7.5025 7.5025 7.8876 7.8876 8.2432 8.2432 8.6080 8.6080 8.8523 8.8523 8.9636 8.9636 9.1630 9.1630 10.7976 10.7976 11.4889 11.4889 13.1276 13.1276 15.3085 15.3085 23.2318 23.2318 23.5230 23.5230 k = 0.1304 0.2259 0.3109 ( 1496 PWs) bands (ev): -6.9611 -6.9611 5.2685 5.2685 5.5521 5.5521 5.9410 5.9410 7.4224 7.4224 7.5011 7.5011 7.8764 7.8764 8.2398 8.2398 8.6057 8.6057 8.8433 8.8433 8.9514 8.9514 9.1519 9.1519 10.8212 10.8212 11.5032 11.5032 13.0463 13.0463 15.2034 15.2034 23.3784 23.3784 23.6993 23.6993 k = 0.1256 0.2176 0.3109 ( 1492 PWs) bands (ev): -6.9731 -6.9731 5.2337 5.2337 5.5760 5.5760 5.9554 5.9554 7.4237 7.4237 7.5006 7.5006 7.8675 7.8675 8.2349 8.2349 8.6055 8.6055 8.8352 8.8352 8.9409 8.9409 9.1410 9.1410 10.8460 10.8460 11.5169 11.5169 12.9648 12.9648 15.0992 15.0992 23.4923 23.4923 23.8752 23.8752 k = 0.1208 0.2092 0.3109 ( 1492 PWs) bands (ev): -6.9849 -6.9849 5.1980 5.1980 5.5997 5.5997 5.9685 5.9685 7.4251 7.4251 7.5011 7.5011 7.8609 7.8609 8.2287 8.2287 8.6072 8.6072 8.8277 8.8277 8.9321 8.9321 9.1304 9.1304 10.8721 10.8721 11.5296 11.5296 12.8832 12.8832 14.9960 14.9960 23.5688 23.5688 24.0491 24.0491 k = 0.1159 0.2008 0.3109 ( 1496 PWs) bands (ev): -6.9965 -6.9965 5.1618 5.1618 5.6230 5.6230 5.9800 5.9800 7.4265 7.4265 7.5026 7.5026 7.8566 7.8566 8.2212 8.2212 8.6106 8.6106 8.8209 8.8209 8.9249 8.9249 9.1200 9.1200 10.8995 10.8995 11.5416 11.5416 12.8019 12.8019 14.8936 14.8936 23.6097 23.6097 24.2192 24.2192 k = 0.1111 0.1925 0.3109 ( 1496 PWs) bands (ev): -7.0079 -7.0079 5.1252 5.1252 5.6461 5.6461 5.9901 5.9901 7.4278 7.4278 7.5054 7.5054 7.8545 7.8545 8.2129 8.2129 8.6157 8.6157 8.8146 8.8146 8.9192 8.9192 9.1098 9.1098 10.9285 10.9285 11.5526 11.5526 12.7210 12.7210 14.7921 14.7921 23.6225 23.6225 24.3830 24.3830 k = 0.1063 0.1841 0.3109 ( 1496 PWs) bands (ev): -7.0191 -7.0191 5.0884 5.0884 5.6688 5.6688 5.9986 5.9986 7.4288 7.4288 7.5095 7.5095 7.8544 7.8544 8.2040 8.2040 8.6221 8.6221 8.8091 8.8091 8.9147 8.9147 9.0999 9.0999 10.9589 10.9589 11.5628 11.5628 12.6407 12.6407 14.6914 14.6914 23.6155 23.6155 24.5376 24.5376 k = 0.1014 0.1757 0.3109 ( 1496 PWs) bands (ev): -7.0300 -7.0300 5.0517 5.0517 5.6910 5.6910 6.0057 6.0057 7.4293 7.4293 7.5149 7.5149 7.8562 7.8562 8.1950 8.1950 8.6295 8.6295 8.8044 8.8044 8.9112 8.9112 9.0904 9.0904 10.9910 10.9910 11.5721 11.5721 12.5612 12.5612 14.5917 14.5917 23.5954 23.5954 24.6793 24.6793 k = 0.0966 0.1673 0.3109 ( 1504 PWs) bands (ev): -7.0405 -7.0405 5.0153 5.0153 5.7126 5.7126 6.0114 6.0114 7.4291 7.4291 7.5216 7.5216 7.8596 7.8596 8.1860 8.1860 8.6375 8.6375 8.8005 8.8005 8.9085 8.9085 9.0812 9.0812 11.0246 11.0246 11.5804 11.5804 12.4829 12.4829 14.4929 14.4929 23.5673 23.5673 24.8040 24.8040 k = 0.0918 0.1590 0.3109 ( 1504 PWs) bands (ev): -7.0508 -7.0508 4.9793 4.9793 5.7336 5.7336 6.0159 6.0159 7.4281 7.4281 7.5296 7.5296 7.8644 7.8644 8.1778 8.1778 8.6462 8.6462 8.7978 8.7978 8.9065 8.9065 9.0724 9.0724 11.0599 11.0599 11.5877 11.5877 12.4061 12.4061 14.3952 14.3952 23.5342 23.5342 24.9088 24.9088 k = 0.0870 0.1506 0.3109 ( 1500 PWs) bands (ev): -7.0606 -7.0606 4.9441 4.9441 5.7539 5.7539 6.0193 6.0193 7.4263 7.4263 7.5387 7.5387 7.8704 7.8704 8.1705 8.1705 8.6551 8.6551 8.7962 8.7962 8.9049 8.9049 9.0641 9.0641 11.0968 11.0968 11.5938 11.5938 12.3312 12.3312 14.2985 14.2985 23.4984 23.4984 24.9929 24.9929 k = 0.0821 0.1422 0.3109 ( 1500 PWs) bands (ev): -7.0701 -7.0701 4.9097 4.9097 5.7733 5.7733 6.0217 6.0217 7.4236 7.4236 7.5486 7.5486 7.8773 7.8773 8.1644 8.1644 8.6640 8.6640 8.7958 8.7958 8.9035 8.9035 9.0560 9.0560 11.1353 11.1353 11.5987 11.5987 12.2584 12.2584 14.2030 14.2030 23.4613 23.4613 25.0579 25.0579 k = 0.0773 0.1339 0.3109 ( 1500 PWs) bands (ev): -7.0792 -7.0792 4.8763 4.8763 5.7919 5.7919 6.0233 6.0233 7.4201 7.4201 7.5589 7.5589 7.8849 7.8849 8.1597 8.1597 8.6727 8.6727 8.7966 8.7966 8.9023 8.9023 9.0483 9.0483 11.1753 11.1753 11.6021 11.6021 12.1883 12.1883 14.1089 14.1089 23.4239 23.4239 25.1067 25.1067 k = 0.0725 0.1255 0.3109 ( 1500 PWs) bands (ev): -7.0879 -7.0879 4.8442 4.8442 5.8095 5.8095 6.0243 6.0243 7.4160 7.4160 7.5693 7.5693 7.8931 7.8931 8.1567 8.1567 8.6813 8.6813 8.7986 8.7986 8.9012 8.9012 9.0410 9.0410 11.2169 11.2169 11.6038 11.6038 12.1214 12.1214 14.0162 14.0162 23.3869 23.3869 25.1426 25.1426 k = 0.0676 0.1171 0.3109 ( 1502 PWs) bands (ev): -7.0961 -7.0961 4.8134 4.8134 5.8260 5.8260 6.0248 6.0248 7.4112 7.4112 7.5794 7.5794 7.9018 7.9018 8.1552 8.1552 8.6894 8.6894 8.8019 8.8019 8.9000 8.9000 9.0339 9.0339 11.2597 11.2597 11.6034 11.6034 12.0585 12.0585 13.9251 13.9251 23.3510 23.3510 25.1686 25.1686 k = 0.0628 0.1088 0.3109 ( 1502 PWs) bands (ev): -7.1038 -7.1038 4.7841 4.7841 5.8413 5.8413 6.0250 6.0250 7.4060 7.4060 7.5890 7.5890 7.9109 7.9109 8.1554 8.1554 8.6974 8.6974 8.8063 8.8063 8.8988 8.8988 9.0269 9.0269 11.3037 11.3037 11.6004 11.6004 12.0004 12.0004 13.8360 13.8360 23.3165 23.3165 25.1869 25.1869 k = 0.0580 0.1004 0.3109 ( 1502 PWs) bands (ev): -7.1111 -7.1111 4.7564 4.7564 5.8553 5.8553 6.0252 6.0252 7.4004 7.4004 7.5976 7.5976 7.9204 7.9204 8.1570 8.1570 8.7050 8.7050 8.8118 8.8118 8.8975 8.8975 9.0201 9.0201 11.3486 11.3486 11.5942 11.5942 11.9480 11.9480 13.7490 13.7490 23.2838 23.2838 25.1994 25.1994 k = 0.0531 0.0920 0.3109 ( 1498 PWs) bands (ev): -7.1178 -7.1178 4.7306 4.7306 5.8680 5.8680 6.0255 6.0255 7.3947 7.3947 7.6052 7.6052 7.9303 7.9303 8.1597 8.1597 8.7126 8.7126 8.8181 8.8181 8.8961 8.8961 9.0134 9.0134 11.3940 11.3940 11.5842 11.5842 11.9024 11.9024 13.6646 13.6646 23.2530 23.2530 25.2075 25.2075 k = 0.0483 0.0837 0.3109 ( 1490 PWs) bands (ev): -7.1240 -7.1240 4.7066 4.7066 5.8792 5.8792 6.0261 6.0261 7.3889 7.3889 7.6117 7.6117 7.9406 7.9406 8.1631 8.1631 8.7202 8.7202 8.8253 8.8253 8.8947 8.8947 9.0068 9.0068 11.4395 11.4395 11.5700 11.5700 11.8646 11.8646 13.5830 13.5830 23.2244 23.2244 25.2124 25.2124 k = 0.0435 0.0753 0.3109 ( 1494 PWs) bands (ev): -7.1297 -7.1297 4.6846 4.6846 5.8888 5.8888 6.0269 6.0269 7.3831 7.3831 7.6169 7.6169 7.9511 7.9511 8.1668 8.1668 8.7277 8.7277 8.8329 8.8329 8.8929 8.8929 8.9998 8.9998 11.4837 11.4837 11.5524 11.5524 11.8346 11.8346 13.5049 13.5049 23.1982 23.1982 25.2149 25.2149 k = 0.0386 0.0669 0.3109 ( 1494 PWs) bands (ev): -7.1348 -7.1348 4.6646 4.6646 5.8969 5.8969 6.0280 6.0280 7.3776 7.3776 7.6209 7.6209 7.9616 7.9616 8.1706 8.1706 8.7354 8.7354 8.8411 8.8411 8.8911 8.8911 8.9927 8.9927 11.5150 11.5150 11.5433 11.5433 11.8122 11.8122 13.4309 13.4309 23.1744 23.1744 25.2157 25.2157 k = 0.0338 0.0586 0.3109 ( 1494 PWs) bands (ev): -7.1393 -7.1393 4.6469 4.6469 5.9035 5.9035 6.0296 6.0296 7.3723 7.3723 7.6240 7.6240 7.9721 7.9721 8.1741 8.1741 8.7432 8.7432 8.8495 8.8495 8.8891 8.8891 8.9854 8.9854 11.4996 11.4996 11.5773 11.5773 11.7963 11.7963 13.3615 13.3615 23.1532 23.1532 25.2153 25.2153 k = 0.0290 0.0502 0.3109 ( 1494 PWs) bands (ev): -7.1432 -7.1432 4.6313 4.6313 5.9088 5.9088 6.0313 6.0313 7.3675 7.3675 7.6262 7.6262 7.9821 7.9821 8.1772 8.1772 8.7508 8.7508 8.8582 8.8582 8.8870 8.8870 8.9777 8.9777 11.4760 11.4760 11.6169 11.6169 11.7854 11.7854 13.2978 13.2978 23.1347 23.1347 25.2143 25.2143 k = 0.0242 0.0418 0.3109 ( 1496 PWs) bands (ev): -7.1466 -7.1466 4.6181 4.6181 5.9128 5.9128 6.0332 6.0332 7.3633 7.3633 7.6277 7.6277 7.9915 7.9915 8.1796 8.1796 8.7582 8.7582 8.8669 8.8669 8.8849 8.8849 8.9698 8.9698 11.4529 11.4529 11.6536 11.6536 11.7785 11.7785 13.2408 13.2408 23.1189 23.1189 25.2128 25.2128 k = 0.0193 0.0335 0.3109 ( 1504 PWs) bands (ev): -7.1494 -7.1494 4.6071 4.6071 5.9158 5.9158 6.0350 6.0350 7.3596 7.3596 7.6286 7.6286 7.9998 7.9998 8.1814 8.1814 8.7650 8.7650 8.8752 8.8752 8.8831 8.8831 8.9615 8.9615 11.4324 11.4324 11.6852 11.6852 11.7749 11.7749 13.1916 13.1916 23.1059 23.1059 25.2113 25.2113 k = 0.0145 0.0251 0.3109 ( 1512 PWs) bands (ev): -7.1515 -7.1515 4.5986 4.5986 5.9179 5.9179 6.0366 6.0366 7.3566 7.3566 7.6291 7.6291 8.0066 8.0066 8.1826 8.1826 8.7708 8.7708 8.8792 8.8792 8.8856 8.8856 8.9533 8.9533 11.4155 11.4155 11.7100 11.7100 11.7744 11.7744 13.1514 13.1514 23.0958 23.0958 25.2099 25.2099 k = 0.0097 0.0167 0.3109 ( 1508 PWs) bands (ev): -7.1531 -7.1531 4.5925 4.5925 5.9193 5.9193 6.0379 6.0379 7.3546 7.3546 7.6295 7.6295 8.0119 8.0119 8.1835 8.1835 8.7755 8.7755 8.8782 8.8782 8.8930 8.8930 8.9457 8.9457 11.4030 11.4030 11.7264 11.7264 11.7769 11.7769 13.1216 13.1216 23.0885 23.0885 25.2088 25.2088 k = 0.0048 0.0084 0.3109 ( 1508 PWs) bands (ev): -7.1540 -7.1540 4.5888 4.5888 5.9201 5.9201 6.0388 6.0388 7.3533 7.3533 7.6296 7.6296 8.0151 8.0151 8.1839 8.1839 8.7785 8.7785 8.8773 8.8773 8.8993 8.8993 8.9395 8.9395 11.3952 11.3952 11.7345 11.7345 11.7806 11.7806 13.1032 13.1032 23.0842 23.0842 25.2081 25.2081 k = 0.0000 0.0000 0.3109 ( 1508 PWs) bands (ev): -7.1543 -7.1543 4.5876 4.5876 5.9203 5.9203 6.0390 6.0390 7.3529 7.3529 7.6297 7.6297 8.0162 8.0162 8.1840 8.1840 8.7795 8.7795 8.8769 8.8769 8.9020 8.9020 8.9369 8.9369 11.3926 11.3926 11.7369 11.7369 11.7824 11.7824 13.0970 13.0970 23.0827 23.0827 25.2079 25.2079 k = 0.5000 0.2887 0.3109 ( 1472 PWs) bands (ev): -6.6918 -6.6918 4.6388 4.6388 5.5201 5.5201 6.0705 6.0705 7.1243 7.1243 7.9837 7.9837 8.4607 8.4607 8.5003 8.5003 8.8852 8.8852 9.1603 9.1603 9.2848 9.2848 9.5172 9.5172 10.2326 10.2326 11.9419 11.9419 14.5044 14.5044 17.1260 17.1260 18.1699 18.1699 20.4177 20.4177 k = 0.5000 0.2887 0.3012 ( 1476 PWs) bands (ev): -6.6918 -6.6918 4.6389 4.6389 5.5202 5.5202 6.0698 6.0698 7.1232 7.1232 7.9835 7.9835 8.4604 8.4604 8.4995 8.4995 8.8861 8.8861 9.1595 9.1595 9.2864 9.2864 9.5191 9.5191 10.2328 10.2328 11.9405 11.9405 14.5060 14.5060 17.1110 17.1110 18.1869 18.1869 20.4169 20.4169 k = 0.5000 0.2887 0.2914 ( 1480 PWs) bands (ev): -6.6918 -6.6918 4.6392 4.6392 5.5206 5.5206 6.0678 6.0678 7.1201 7.1201 7.9830 7.9830 8.4587 8.4587 8.4984 8.4984 8.8892 8.8892 9.1575 9.1575 9.2913 9.2913 9.5248 9.5248 10.2337 10.2337 11.9364 11.9364 14.5108 14.5108 17.0687 17.0687 18.2354 18.2354 20.4144 20.4144 k = 0.5000 0.2887 0.2817 ( 1480 PWs) bands (ev): -6.6918 -6.6918 4.6398 4.6398 5.5212 5.5212 6.0647 6.0647 7.1150 7.1150 7.9825 7.9825 8.4524 8.4524 8.5001 8.5001 8.8946 8.8946 9.1548 9.1548 9.2985 9.2985 9.5343 9.5343 10.2350 10.2350 11.9297 11.9297 14.5188 14.5188 17.0054 17.0054 18.3091 18.3091 20.4102 20.4102 k = 0.5000 0.2887 0.2720 ( 1480 PWs) bands (ev): -6.6918 -6.6918 4.6406 4.6406 5.5220 5.5220 6.0603 6.0603 7.1079 7.1079 7.9820 7.9820 8.4397 8.4397 8.5065 8.5065 8.9026 8.9026 9.1517 9.1517 9.3071 9.3071 9.5474 9.5474 10.2369 10.2369 11.9204 11.9204 14.5299 14.5299 16.9279 16.9279 18.4010 18.4010 20.4044 20.4044 k = 0.5000 0.2887 0.2623 ( 1480 PWs) bands (ev): -6.6917 -6.6917 4.6416 4.6416 5.5231 5.5231 6.0549 6.0549 7.0987 7.0987 7.9817 7.9817 8.4210 8.4210 8.5174 8.5174 8.9133 8.9133 9.1488 9.1488 9.3162 9.3162 9.5636 9.5636 10.2395 10.2395 11.9085 11.9085 14.5440 14.5440 16.8416 16.8416 18.5060 18.5060 20.3970 20.3970 k = 0.5000 0.2887 0.2526 ( 1480 PWs) bands (ev): -6.6917 -6.6917 4.6428 4.6428 5.5245 5.5245 6.0484 6.0484 7.0877 7.0877 7.9819 7.9819 8.3974 8.3974 8.5320 8.5320 8.9266 8.9266 9.1461 9.1461 9.3255 9.3255 9.5825 9.5825 10.2426 10.2426 11.8942 11.8942 14.5610 14.5610 16.7503 16.7503 18.6202 18.6202 20.3879 20.3879 k = 0.5000 0.2887 0.2429 ( 1488 PWs) bands (ev): -6.6917 -6.6917 4.6441 4.6441 5.5261 5.5261 6.0408 6.0408 7.0747 7.0747 7.9827 7.9827 8.3701 8.3701 8.5494 8.5494 8.9422 8.9422 9.1437 9.1437 9.3346 9.3346 9.6036 9.6036 10.2464 10.2464 11.8773 11.8773 14.5808 14.5808 16.6565 16.6565 18.7407 18.7407 20.3772 20.3772 k = 0.5000 0.2887 0.2332 ( 1488 PWs) bands (ev): -6.6916 -6.6916 4.6457 4.6457 5.5279 5.5279 6.0325 6.0325 7.0599 7.0599 7.9843 7.9843 8.3400 8.3400 8.5698 8.5698 8.9598 8.9598 9.1421 9.1421 9.3436 9.3436 9.6261 9.6261 10.2508 10.2508 11.8582 11.8582 14.6032 14.6032 16.5624 16.5624 18.8659 18.8659 20.3651 20.3651 k = 0.5000 0.2887 0.2234 ( 1488 PWs) bands (ev): -6.6916 -6.6916 4.6474 4.6474 5.5301 5.5301 6.0235 6.0235 7.0435 7.0435 7.9866 7.9866 8.3079 8.3079 8.5926 8.5926 8.9787 8.9787 9.1411 9.1411 9.3525 9.3525 9.6495 9.6495 10.2559 10.2559 11.8369 11.8369 14.6279 14.6279 16.4691 16.4691 18.9941 18.9941 20.3517 20.3517 k = 0.5000 0.2887 0.2137 ( 1492 PWs) bands (ev): -6.6915 -6.6915 4.6493 4.6493 5.5324 5.5324 6.0138 6.0138 7.0256 7.0256 7.9895 7.9895 8.2747 8.2747 8.6176 8.6176 8.9981 8.9981 9.1410 9.1410 9.3614 9.3614 9.6731 9.6731 10.2617 10.2617 11.8136 11.8136 14.6546 14.6546 16.3777 16.3777 19.1241 19.1241 20.3372 20.3372 k = 0.5000 0.2887 0.2040 ( 1492 PWs) bands (ev): -6.6914 -6.6914 4.6513 4.6513 5.5351 5.5351 6.0037 6.0037 7.0064 7.0064 7.9927 7.9927 8.2413 8.2413 8.6445 8.6445 9.0175 9.0175 9.1420 9.1420 9.3705 9.3705 9.6964 9.6964 10.2682 10.2682 11.7884 11.7884 14.6829 14.6829 16.2891 16.2891 19.2548 19.2548 20.3222 20.3222 k = 0.5000 0.2887 0.1943 ( 1492 PWs) bands (ev): -6.6914 -6.6914 4.6534 4.6534 5.5379 5.5379 5.9932 5.9932 6.9861 6.9861 7.9955 7.9955 8.2090 8.2090 8.6731 8.6731 9.0358 9.0358 9.1447 9.1447 9.3801 9.3801 9.7189 9.7189 10.2755 10.2755 11.7614 11.7614 14.7126 14.7126 16.2041 16.2041 19.3847 19.3847 20.3075 20.3075 k = 0.5000 0.2887 0.1846 ( 1492 PWs) bands (ev): -6.6913 -6.6913 4.6557 4.6557 5.5410 5.5410 5.9825 5.9825 6.9650 6.9650 7.9969 7.9969 8.1790 8.1790 8.7030 8.7030 9.0521 9.0521 9.1494 9.1494 9.3902 9.3902 9.7403 9.7403 10.2834 10.2834 11.7329 11.7329 14.7429 14.7429 16.1234 16.1234 19.5117 19.5117 20.2947 20.2947 k = 0.5000 0.2887 0.1749 ( 1488 PWs) bands (ev): -6.6912 -6.6912 4.6580 4.6580 5.5444 5.5444 5.9716 5.9716 6.9434 6.9434 7.9950 7.9950 8.1537 8.1537 8.7341 8.7341 9.0654 9.0654 9.1568 9.1568 9.4012 9.4012 9.7604 9.7604 10.2919 10.2919 11.7030 11.7030 14.7733 14.7733 16.0478 16.0478 19.6326 19.6326 20.2866 20.2866 k = 0.5000 0.2887 0.1651 ( 1488 PWs) bands (ev): -6.6911 -6.6911 4.6604 4.6604 5.5479 5.5479 5.9607 5.9607 6.9213 6.9213 7.9873 7.9873 8.1354 8.1354 8.7660 8.7660 9.0754 9.0754 9.1668 9.1668 9.4131 9.4131 9.7788 9.7788 10.3010 10.3010 11.6720 11.6720 14.8029 14.8029 15.9780 15.9780 19.7419 19.7419 20.2885 20.2885 k = 0.5000 0.2887 0.1554 ( 1494 PWs) bands (ev): -6.6911 -6.6911 4.6628 4.6628 5.5515 5.5515 5.9499 5.9499 6.8990 6.8990 7.9724 7.9724 8.1259 8.1259 8.7981 8.7981 9.0824 9.0824 9.1787 9.1787 9.4260 9.4260 9.7955 9.7955 10.3105 10.3105 11.6400 11.6400 14.8310 14.8310 15.9150 15.9150 19.8303 19.8303 20.3093 20.3093 k = 0.5000 0.2887 0.1457 ( 1494 PWs) bands (ev): -6.6910 -6.6910 4.6652 4.6652 5.5553 5.5553 5.9393 5.9393 6.8768 6.8768 7.9512 7.9512 8.1244 8.1244 8.8305 8.8305 9.0872 9.0872 9.1917 9.1917 9.4399 9.4399 9.8106 9.8106 10.3203 10.3203 11.6075 11.6075 14.8565 14.8565 15.8595 15.8595 19.8879 19.8879 20.3586 20.3586 k = 0.5000 0.2887 0.1360 ( 1490 PWs) bands (ev): -6.6909 -6.6909 4.6677 4.6677 5.5592 5.5592 5.9290 5.9290 6.8550 6.8550 7.9260 7.9260 8.1286 8.1286 8.8625 8.8625 9.0908 9.0908 9.2049 9.2049 9.4549 9.4549 9.8238 9.8238 10.3303 10.3303 11.5745 11.5745 14.8783 14.8783 15.8125 15.8125 19.9126 19.9126 20.4385 20.4385 k = 0.5000 0.2887 0.1263 ( 1486 PWs) bands (ev): -6.6908 -6.6908 4.6701 4.6701 5.5632 5.5632 5.9191 5.9191 6.8337 6.8337 7.8991 7.8991 8.1363 8.1363 8.8937 8.8937 9.0937 9.0937 9.2177 9.2177 9.4708 9.4708 9.8354 9.8354 10.3404 10.3404 11.5416 11.5416 14.8954 14.8954 15.7747 15.7747 19.9124 19.9124 20.5405 20.5405 k = 0.5000 0.2887 0.1166 ( 1484 PWs) bands (ev): -6.6907 -6.6907 4.6724 4.6724 5.5671 5.5671 5.9096 5.9096 6.8131 6.8131 7.8718 7.8718 8.1461 8.1461 8.9234 8.9234 9.0965 9.0965 9.2297 9.2297 9.4874 9.4874 9.8453 9.8453 10.3503 10.3503 11.5088 11.5088 14.9071 14.9071 15.7466 15.7466 19.8970 19.8970 20.6549 20.6549 k = 0.5000 0.2887 0.1069 ( 1482 PWs) bands (ev): -6.6907 -6.6907 4.6747 4.6747 5.5710 5.5710 5.9007 5.9007 6.7935 6.7935 7.8451 7.8451 8.1568 8.1568 8.9511 8.9511 9.0998 9.0998 9.2408 9.2408 9.5044 9.5044 9.8537 9.8537 10.3599 10.3599 11.4767 11.4767 14.9130 14.9130 15.7283 15.7283 19.8730 19.8730 20.7749 20.7749 k = 0.5000 0.2887 0.0971 ( 1482 PWs) bands (ev): -6.6906 -6.6906 4.6768 4.6768 5.5748 5.5748 5.8923 5.8923 6.7749 6.7749 7.8195 7.8195 8.1680 8.1680 8.9760 8.9760 9.1042 9.1042 9.2510 9.2510 9.5216 9.5216 9.8606 9.8606 10.3691 10.3691 11.4454 11.4454 14.9133 14.9133 15.7192 15.7192 19.8443 19.8443 20.8962 20.8962 k = 0.5000 0.2887 0.0874 ( 1478 PWs) bands (ev): -6.6905 -6.6905 4.6789 4.6789 5.5784 5.5784 5.8847 5.8847 6.7575 6.7575 7.7955 7.7955 8.1793 8.1793 8.9975 8.9975 9.1098 9.1098 9.2604 9.2604 9.5386 9.5386 9.8664 9.8664 10.3777 10.3777 11.4156 11.4156 14.9086 14.9086 15.7181 15.7181 19.8132 19.8132 21.0161 21.0161 k = 0.5000 0.2887 0.0777 ( 1478 PWs) bands (ev): -6.6905 -6.6905 4.6808 4.6808 5.5819 5.5819 5.8778 5.8778 6.7415 6.7415 7.7734 7.7734 8.1901 8.1901 9.0148 9.0148 9.1171 9.1171 9.2691 9.2691 9.5552 9.5552 9.8710 9.8710 10.3857 10.3857 11.3874 11.3874 14.9000 14.9000 15.7233 15.7233 19.7816 19.7816 21.1323 21.1323 k = 0.5000 0.2887 0.0680 ( 1474 PWs) bands (ev): -6.6904 -6.6904 4.6826 4.6826 5.5851 5.5851 5.8715 5.8715 6.7271 6.7271 7.7535 7.7535 8.2004 8.2004 9.0279 9.0279 9.1261 9.1261 9.2773 9.2773 9.5710 9.5710 9.8745 9.8745 10.3928 10.3928 11.3613 11.3613 14.8890 14.8890 15.7331 15.7331 19.7506 19.7506 21.2429 21.2429 k = 0.5000 0.2887 0.0583 ( 1474 PWs) bands (ev): -6.6904 -6.6904 4.6841 4.6841 5.5879 5.5879 5.8661 5.8661 6.7144 6.7144 7.7359 7.7359 8.2096 8.2096 9.0371 9.0371 9.1359 9.1359 9.2848 9.2848 9.5855 9.5855 9.8770 9.8770 10.3991 10.3991 11.3377 11.3377 14.8769 14.8769 15.7457 15.7457 19.7215 19.7215 21.3456 21.3456 k = 0.5000 0.2887 0.0486 ( 1474 PWs) bands (ev): -6.6903 -6.6903 4.6855 4.6855 5.5904 5.5904 5.8614 5.8614 6.7035 6.7035 7.7208 7.7208 8.2178 8.2178 9.0433 9.0433 9.1457 9.1457 9.2917 9.2917 9.5987 9.5987 9.8788 9.8788 10.4045 10.4045 11.3169 11.3169 14.8647 14.8647 15.7593 15.7593 19.6950 19.6950 21.4384 21.4384 k = 0.5000 0.2887 0.0389 ( 1476 PWs) bands (ev): -6.6903 -6.6903 4.6866 4.6866 5.5925 5.5925 5.8576 5.8576 6.6943 6.6943 7.7082 7.7082 8.2246 8.2246 9.0474 9.0474 9.1545 9.1545 9.2978 9.2978 9.6099 9.6099 9.8800 9.8800 10.4089 10.4089 11.2993 11.2993 14.8535 14.8535 15.7724 15.7724 19.6721 19.6721 21.5189 21.5189 k = 0.5000 0.2887 0.0291 ( 1478 PWs) bands (ev): -6.6903 -6.6903 4.6875 4.6875 5.5942 5.5942 5.8546 5.8546 6.6872 6.6872 7.6983 7.6983 8.2301 8.2301 9.0501 9.0501 9.1617 9.1617 9.3028 9.3028 9.6191 9.6191 9.8807 9.8807 10.4124 10.4124 11.2853 11.2853 14.8441 14.8441 15.7839 15.7839 19.6536 19.6536 21.5847 21.5847 k = 0.5000 0.2887 0.0194 ( 1490 PWs) bands (ev): -6.6903 -6.6903 4.6881 4.6881 5.5953 5.5953 5.8523 5.8523 6.6819 6.6819 7.6911 7.6911 8.2340 8.2340 9.0516 9.0516 9.1668 9.1668 9.3065 9.3065 9.6257 9.6257 9.8810 9.8810 10.4148 10.4148 11.2751 11.2751 14.8369 14.8369 15.7927 15.7927 19.6398 19.6398 21.6336 21.6336 k = 0.5000 0.2887 0.0097 ( 1484 PWs) bands (ev): -6.6902 -6.6902 4.6885 4.6885 5.5961 5.5961 5.8512 5.8512 6.6788 6.6788 7.6869 7.6869 8.2365 8.2365 9.0525 9.0525 9.1701 9.1701 9.3090 9.3090 9.6299 9.6299 9.8813 9.8813 10.4163 10.4163 11.2690 11.2690 14.8325 14.8325 15.7983 15.7983 19.6314 19.6314 21.6637 21.6637 k = 0.5000 0.2887-0.0000 ( 1484 PWs) bands (ev): -6.6902 -6.6902 4.6886 4.6886 5.5963 5.5963 5.8507 5.8507 6.6778 6.6778 7.6855 7.6855 8.2373 8.2373 9.0528 9.0528 9.1711 9.1711 9.3098 9.3098 9.6313 9.6313 9.8814 9.8814 10.4168 10.4168 11.2669 11.2669 14.8310 14.8310 15.8002 15.8002 19.6286 19.6286 21.6739 21.6739 k = 0.3333 0.5774-0.0000 ( 1464 PWs) bands (ev): -6.6348 -6.6348 5.2511 5.2511 5.3100 5.3100 5.8853 5.8853 7.2684 7.2684 7.4287 7.4287 7.5663 7.5663 8.8356 8.8356 9.0654 9.0654 9.1409 9.1409 9.4417 9.4417 10.0404 10.0404 10.1088 10.1088 11.8128 11.8128 17.4363 17.4363 17.4843 17.4843 17.6314 17.6314 20.9480 20.9480 k = 0.3333 0.5774 0.0097 ( 1464 PWs) bands (ev): -6.6348 -6.6348 5.2506 5.2506 5.3096 5.3096 5.8850 5.8850 7.2690 7.2690 7.4296 7.4296 7.5675 7.5675 8.8352 8.8352 9.0646 9.0646 9.1405 9.1405 9.4425 9.4425 10.0405 10.0405 10.1090 10.1090 11.8119 11.8119 17.4323 17.4323 17.4811 17.4811 17.6337 17.6337 20.9481 20.9481 k = 0.3333 0.5774 0.0194 ( 1464 PWs) bands (ev): -6.6348 -6.6348 5.2493 5.2493 5.3083 5.3083 5.8843 5.8843 7.2709 7.2709 7.4323 7.4323 7.5710 7.5710 8.8341 8.8341 9.0624 9.0624 9.1396 9.1396 9.4450 9.4450 10.0409 10.0409 10.1096 10.1096 11.8091 11.8091 17.4206 17.4206 17.4714 17.4714 17.6410 17.6410 20.9481 20.9481 k = 0.3333 0.5774 0.0291 ( 1467 PWs) bands (ev): -6.6347 -6.6347 5.2471 5.2471 5.3061 5.3061 5.8830 5.8830 7.2741 7.2741 7.4366 7.4366 7.5767 7.5767 8.8322 8.8322 9.0587 9.0587 9.1379 9.1379 9.4491 9.4491 10.0416 10.0416 10.1107 10.1107 11.8044 11.8044 17.4014 17.4014 17.4549 17.4549 17.6538 17.6538 20.9483 20.9483 k = 0.3333 0.5774 0.0389 ( 1455 PWs) bands (ev): -6.6347 -6.6347 5.2441 5.2441 5.3032 5.3032 5.8813 5.8813 7.2786 7.2786 7.4429 7.4429 7.5849 7.5849 8.8295 8.8295 9.0539 9.0539 9.1358 9.1358 9.4547 9.4547 10.0427 10.0427 10.1124 10.1124 11.7980 11.7980 17.3749 17.3749 17.4313 17.4313 17.6724 17.6724 20.9485 20.9485 k = 0.3333 0.5774 0.0486 ( 1455 PWs) bands (ev): -6.6347 -6.6347 5.2402 5.2402 5.2995 5.2995 5.8791 5.8791 7.2843 7.2843 7.4506 7.4506 7.5952 7.5952 8.8259 8.8259 9.0480 9.0480 9.1329 9.1329 9.4616 9.4616 10.0439 10.0439 10.1144 10.1144 11.7898 11.7898 17.3418 17.3418 17.4010 17.4010 17.6969 17.6969 20.9487 20.9487 k = 0.3333 0.5774 0.0583 ( 1455 PWs) bands (ev): -6.6346 -6.6346 5.2356 5.2356 5.2950 5.2950 5.8764 5.8764 7.2911 7.2911 7.4599 7.4599 7.6075 7.6075 8.8211 8.8211 9.0412 9.0412 9.1293 9.1293 9.4698 9.4698 10.0455 10.0455 10.1168 10.1168 11.7800 11.7800 17.3024 17.3024 17.3644 17.3644 17.7272 17.7272 20.9490 20.9490 k = 0.3333 0.5774 0.0680 ( 1455 PWs) bands (ev): -6.6345 -6.6345 5.2303 5.2303 5.2898 5.2898 5.8734 5.8734 7.2992 7.2992 7.4707 7.4707 7.6219 7.6219 8.8152 8.8152 9.0339 9.0339 9.1250 9.1250 9.4790 9.4790 10.0474 10.0474 10.1198 10.1198 11.7687 11.7687 17.2576 17.2576 17.3221 17.3221 17.7631 17.7631 20.9492 20.9492 k = 0.3333 0.5774 0.0777 ( 1464 PWs) bands (ev): -6.6345 -6.6345 5.2243 5.2243 5.2840 5.2840 5.8698 5.8698 7.3081 7.3081 7.4828 7.4828 7.6381 7.6381 8.8080 8.8080 9.0262 9.0262 9.1200 9.1200 9.4890 9.4890 10.0495 10.0495 10.1231 10.1231 11.7559 11.7559 17.2079 17.2079 17.2748 17.2748 17.8044 17.8044 20.9495 20.9495 k = 0.3333 0.5774 0.0874 ( 1461 PWs) bands (ev): -6.6344 -6.6344 5.2178 5.2178 5.2777 5.2777 5.8660 5.8660 7.3184 7.3184 7.4962 7.4962 7.6562 7.6562 8.7994 8.7994 9.0185 9.0185 9.1143 9.1143 9.5000 9.5000 10.0520 10.0520 10.1270 10.1270 11.7418 11.7418 17.1541 17.1541 17.2233 17.2233 17.8508 17.8508 20.9498 20.9498 k = 0.3333 0.5774 0.0971 ( 1461 PWs) bands (ev): -6.6343 -6.6343 5.2108 5.2108 5.2709 5.2709 5.8620 5.8620 7.3297 7.3297 7.5108 7.5108 7.6760 7.6760 8.7892 8.7892 9.0109 9.0109 9.1078 9.1078 9.5116 9.5116 10.0548 10.0548 10.1314 10.1314 11.7266 11.7266 17.0969 17.0969 17.1682 17.1682 17.9020 17.9020 20.9501 20.9501 k = 0.3333 0.5774 0.1069 ( 1461 PWs) bands (ev): -6.6342 -6.6342 5.2035 5.2035 5.2638 5.2638 5.8576 5.8576 7.3419 7.3419 7.5264 7.5264 7.6972 7.6972 8.7774 8.7774 9.0036 9.0036 9.1006 9.1006 9.5237 9.5237 10.0579 10.0579 10.1362 10.1362 11.7104 11.7104 17.0370 17.0370 17.1103 17.1103 17.9578 17.9578 20.9504 20.9504 k = 0.3333 0.5774 0.1166 ( 1461 PWs) bands (ev): -6.6341 -6.6341 5.1958 5.1958 5.2563 5.2563 5.8531 5.8531 7.3551 7.3551 7.5429 7.5429 7.7198 7.7198 8.7640 8.7640 8.9966 8.9966 9.0925 9.0925 9.5362 9.5362 10.0613 10.0613 10.1415 10.1415 11.6934 11.6934 16.9752 16.9752 17.0502 17.0502 18.0178 18.0178 20.9507 20.9507 k = 0.3333 0.5774 0.1263 ( 1467 PWs) bands (ev): -6.6340 -6.6340 5.1878 5.1878 5.2485 5.2485 5.8483 5.8483 7.3689 7.3689 7.5601 7.5601 7.7436 7.7436 8.7491 8.7491 8.9901 8.9901 9.0837 9.0837 9.5489 9.5489 10.0650 10.0650 10.1472 10.1472 11.6757 11.6757 16.9121 16.9121 16.9887 16.9887 18.0816 18.0816 20.9510 20.9510 k = 0.3333 0.5774 0.1360 ( 1473 PWs) bands (ev): -6.6339 -6.6339 5.1798 5.1798 5.2407 5.2407 5.8435 5.8435 7.3836 7.3836 7.5779 7.5779 7.7683 7.7683 8.7327 8.7327 8.9840 8.9840 9.0741 9.0741 9.5619 9.5619 10.0689 10.0689 10.1533 10.1533 11.6574 11.6574 16.8484 16.8484 16.9264 16.9264 18.1491 18.1491 20.9513 20.9513 k = 0.3333 0.5774 0.1457 ( 1473 PWs) bands (ev): -6.6338 -6.6338 5.1717 5.1717 5.2328 5.2328 5.8386 5.8386 7.3990 7.3990 7.5962 7.5962 7.7940 7.7940 8.7149 8.7149 8.9785 8.9785 9.0639 9.0639 9.5750 9.5750 10.0732 10.0732 10.1598 10.1598 11.6388 11.6388 16.7848 16.7848 16.8639 16.8639 18.2197 18.2197 20.9515 20.9515 k = 0.3333 0.5774 0.1554 ( 1470 PWs) bands (ev): -6.6337 -6.6337 5.1636 5.1636 5.2249 5.2249 5.8336 5.8336 7.4150 7.4150 7.6148 7.6148 7.8204 7.8204 8.6960 8.6960 8.9734 8.9734 9.0530 9.0530 9.5880 9.5880 10.0776 10.0776 10.1667 10.1667 11.6201 11.6201 16.7217 16.7217 16.8019 16.8019 18.2930 18.2930 20.9518 20.9518 k = 0.3333 0.5774 0.1651 ( 1464 PWs) bands (ev): -6.6335 -6.6335 5.1557 5.1557 5.2172 5.2172 5.8288 5.8288 7.4315 7.4315 7.6336 7.6336 7.8472 7.8472 8.6762 8.6762 8.9687 8.9687 9.0415 9.0415 9.6010 9.6010 10.0823 10.0823 10.1739 10.1739 11.6013 11.6013 16.6597 16.6597 16.7408 16.7408 18.3687 18.3687 20.9520 20.9520 k = 0.3333 0.5774 0.1749 ( 1464 PWs) bands (ev): -6.6334 -6.6334 5.1478 5.1478 5.2095 5.2095 5.8239 5.8239 7.4481 7.4481 7.6524 7.6524 7.8742 7.8742 8.6555 8.6555 8.9643 8.9643 9.0294 9.0294 9.6137 9.6137 10.0871 10.0871 10.1813 10.1813 11.5827 11.5827 16.5994 16.5994 16.6811 16.6811 18.4462 18.4462 20.9522 20.9522 k = 0.3333 0.5774 0.1846 ( 1464 PWs) bands (ev): -6.6333 -6.6333 5.1402 5.1402 5.2021 5.2021 5.8192 5.8192 7.4649 7.4649 7.6710 7.6710 7.9012 7.9012 8.6343 8.6343 8.9602 8.9602 9.0168 9.0168 9.6261 9.6261 10.0919 10.0919 10.1889 10.1889 11.5644 11.5644 16.5412 16.5412 16.6235 16.6235 18.5249 18.5249 20.9524 20.9524 k = 0.3333 0.5774 0.1943 ( 1464 PWs) bands (ev): -6.6332 -6.6332 5.1329 5.1329 5.1950 5.1950 5.8147 5.8147 7.4817 7.4817 7.6894 7.6894 7.9281 7.9281 8.6128 8.6128 8.9563 8.9563 9.0039 9.0039 9.6380 9.6380 10.0968 10.0968 10.1965 10.1965 11.5467 11.5467 16.4855 16.4855 16.5683 16.5683 18.6042 18.6042 20.9526 20.9526 k = 0.3333 0.5774 0.2040 ( 1464 PWs) bands (ev): -6.6331 -6.6331 5.1260 5.1260 5.1882 5.1882 5.8104 5.8104 7.4984 7.4984 7.7073 7.7073 7.9544 7.9544 8.5913 8.5913 8.9527 8.9527 8.9907 8.9907 9.6494 9.6494 10.1016 10.1016 10.2041 10.2041 11.5296 11.5296 16.4329 16.4329 16.5159 16.5159 18.6835 18.6835 20.9528 20.9528 k = 0.3333 0.5774 0.2137 ( 1467 PWs) bands (ev): -6.6330 -6.6330 5.1195 5.1195 5.1818 5.1818 5.8063 5.8063 7.5146 7.5146 7.7245 7.7245 7.9801 7.9801 8.5700 8.5700 8.9492 8.9492 8.9774 8.9774 9.6602 9.6602 10.1063 10.1063 10.2115 10.2115 11.5132 11.5132 16.3835 16.3835 16.4667 16.4667 18.7619 18.7619 20.9529 20.9529 k = 0.3333 0.5774 0.2234 ( 1467 PWs) bands (ev): -6.6329 -6.6329 5.1134 5.1134 5.1759 5.1759 5.8024 5.8024 7.5303 7.5303 7.7410 7.7410 8.0048 8.0048 8.5492 8.5492 8.9460 8.9460 8.9642 8.9642 9.6703 9.6703 10.1108 10.1108 10.2186 10.2186 11.4979 11.4979 16.3378 16.3378 16.4212 16.4212 18.8385 18.8385 20.9531 20.9531 k = 0.3333 0.5774 0.2332 ( 1467 PWs) bands (ev): -6.6328 -6.6328 5.1079 5.1079 5.1705 5.1705 5.7989 5.7989 7.5451 7.5451 7.7566 7.7566 8.0281 8.0281 8.5292 8.5292 8.9430 8.9430 8.9514 8.9514 9.6796 9.6796 10.1151 10.1151 10.2255 10.2255 11.4838 11.4838 16.2961 16.2961 16.3795 16.3795 18.9124 18.9124 20.9532 20.9532 k = 0.3333 0.5774 0.2429 ( 1467 PWs) bands (ev): -6.6328 -6.6328 5.1029 5.1029 5.1656 5.1656 5.7958 5.7958 7.5590 7.5590 7.7711 7.7711 8.0499 8.0499 8.5104 8.5104 8.9391 8.9391 8.9403 8.9403 9.6880 9.6880 10.1190 10.1190 10.2318 10.2318 11.4709 11.4709 16.2586 16.2586 16.3421 16.3421 18.9823 18.9823 20.9533 20.9533 k = 0.3333 0.5774 0.2526 ( 1473 PWs) bands (ev): -6.6327 -6.6327 5.0985 5.0985 5.1613 5.1613 5.7929 5.7929 7.5716 7.5716 7.7842 7.7842 8.0696 8.0696 8.4929 8.4929 8.9276 8.9276 8.9378 8.9378 9.6955 9.6955 10.1225 10.1225 10.2376 10.2376 11.4593 11.4593 16.2257 16.2257 16.3091 16.3091 19.0471 19.0471 20.9534 20.9534 k = 0.3333 0.5774 0.2623 ( 1473 PWs) bands (ev): -6.6326 -6.6326 5.0947 5.0947 5.1576 5.1576 5.7905 5.7905 7.5827 7.5827 7.7959 7.7959 8.0872 8.0872 8.4773 8.4773 8.9172 8.9172 8.9357 8.9357 9.7019 9.7019 10.1257 10.1257 10.2427 10.2427 11.4494 11.4494 16.1974 16.1974 16.2808 16.2808 19.1054 19.1054 20.9535 20.9535 k = 0.3333 0.5774 0.2720 ( 1467 PWs) bands (ev): -6.6326 -6.6326 5.0917 5.0917 5.1546 5.1546 5.7885 5.7885 7.5922 7.5922 7.8059 7.8059 8.1021 8.1021 8.4640 8.4640 8.9083 8.9083 8.9340 8.9340 9.7073 9.7073 10.1283 10.1283 10.2470 10.2470 11.4411 11.4411 16.1741 16.1741 16.2574 16.2574 19.1558 19.1558 20.9535 20.9535 k = 0.3333 0.5774 0.2817 ( 1467 PWs) bands (ev): -6.6325 -6.6325 5.0892 5.0892 5.1522 5.1522 5.7869 5.7869 7.5998 7.5998 7.8139 7.8139 8.1141 8.1141 8.4532 8.4532 8.9010 8.9010 8.9325 8.9325 9.7115 9.7115 10.1305 10.1305 10.2505 10.2505 11.4346 11.4346 16.1558 16.1558 16.2390 16.2390 19.1968 19.1968 20.9536 20.9536 k = 0.3333 0.5774 0.2914 ( 1455 PWs) bands (ev): -6.6325 -6.6325 5.0876 5.0876 5.1505 5.1505 5.7859 5.7859 7.6055 7.6055 7.8199 7.8199 8.1230 8.1230 8.4453 8.4453 8.8956 8.8956 8.9316 8.9316 9.7147 9.7147 10.1321 10.1321 10.2531 10.2531 11.4299 11.4299 16.1426 16.1426 16.2258 16.2258 19.2272 19.2272 20.9536 20.9536 k = 0.3333 0.5774 0.3012 ( 1455 PWs) bands (ev): -6.6325 -6.6325 5.0865 5.0865 5.1495 5.1495 5.7852 5.7852 7.6088 7.6088 7.8235 7.8235 8.1284 8.1284 8.4404 8.4404 8.8923 8.8923 8.9310 8.9310 9.7166 9.7166 10.1330 10.1330 10.2546 10.2546 11.4270 11.4270 16.1347 16.1347 16.2178 16.2178 19.2459 19.2459 20.9537 20.9537 k = 0.3333 0.5774 0.3109 ( 1452 PWs) bands (ev): -6.6325 -6.6325 5.0862 5.0862 5.1492 5.1492 5.7849 5.7849 7.6100 7.6100 7.8247 7.8247 8.1302 8.1302 8.4387 8.4387 8.8911 8.8911 8.9307 8.9307 9.7172 9.7172 10.1334 10.1334 10.2552 10.2552 11.4261 11.4261 16.1320 16.1320 16.2151 16.2151 19.2522 19.2522 20.9537 20.9537 Writing output data file Ag2O.save init_run : 0.12s CPU 0.24s WALL ( 1 calls) electrons : 68.79s CPU 70.59s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.00s CPU 0.02s WALL ( 1 calls) Called by electrons: c_bands : 68.78s CPU 70.57s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.02s CPU 0.03s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.02s WALL ( 433 calls) cegterg : 63.07s CPU 64.30s WALL ( 509 calls) Called by sum_band: Called by *egterg: h_psi : 30.99s CPU 32.52s WALL ( 8565 calls) s_psi : 1.43s CPU 1.52s WALL ( 8565 calls) g_psi : 0.05s CPU 0.07s WALL ( 7623 calls) cdiaghg : 30.38s CPU 29.90s WALL ( 8056 calls) cegterg:over : 1.82s CPU 1.96s WALL ( 7623 calls) cegterg:upda : 1.18s CPU 1.30s WALL ( 7623 calls) cegterg:last : 0.75s CPU 0.85s WALL ( 1375 calls) cdiaghg:chol : 1.41s CPU 1.49s WALL ( 8056 calls) cdiaghg:inve : 0.73s CPU 0.69s WALL ( 8056 calls) cdiaghg:para : 1.68s CPU 1.80s WALL ( 16112 calls) Called by h_psi: h_psi:vloc : 27.52s CPU 28.72s WALL ( 8565 calls) h_psi:vnl : 3.42s CPU 3.75s WALL ( 8565 calls) add_vuspsi : 1.57s CPU 1.97s WALL ( 8565 calls) General routines calbec : 1.80s CPU 1.76s WALL ( 8565 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 26.00s CPU 27.12s WALL ( 606344 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.06s CPU 0.17s WALL ( 866 calls) Parallel routines fft_scatter : 11.53s CPU 12.11s WALL ( 606367 calls) PWSCF : 1m18.44s CPU 1m32.32s WALL This run was terminated on: 16:39:20 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=