Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 19:39:30 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 file Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S renormalized 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 26 10 4 604 155 37 Max 27 11 5 608 170 39 Sum 947 393 147 21805 5811 1359 bravais-lattice index = 14 lattice parameter (alat) = 5.9684 a.u. unit-cell volume = 152.1313 (a.u.)^3 number of atoms/cell = 1 number of atomic types = 1 number of electrons = 12.00 number of Kohn-Sham states= 20 kinetic-energy cutoff = 43.0000 Ry charge density cutoff = 416.0000 Ry convergence threshold = 1.0E-08 mixing beta = 0.7000 number of iterations used = 8 plain mixing Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.968414 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.200012 celldm(5)= -0.200012 celldm(6)= -0.599975 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.599975 0.800018 0.000000 ) a(3) = ( -0.200012 -0.400009 0.894420 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.749952 0.559021 ) b(2) = ( 0.000000 1.249971 0.559021 ) b(3) = ( 0.000000 0.000000 1.118043 ) PseudoPot. # 1 for Hg read from file: /users/gautes/Pseudo/Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: a7fd98bfb2640362c6e2ed76594f1960 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 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 Hg 12.00 200.59000 Hg( 1.00) 4 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 [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 1 1 1 ) cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 4) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 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 C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 525 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0009183 k( 2) = ( 0.0000000 0.0000000 0.1242270), wk = 0.0018365 k( 3) = ( 0.0000000 0.0000000 0.2484539), wk = 0.0018365 k( 4) = ( 0.0000000 0.0000000 0.3726809), wk = 0.0018365 k( 5) = ( 0.0000000 0.0000000 0.4969078), wk = 0.0018365 k( 6) = ( 0.0000000 0.1136337 0.0508201), wk = 0.0018365 k( 7) = ( 0.0000000 0.1136337 0.1750471), wk = 0.0018365 k( 8) = ( 0.0000000 0.1136337 0.2992740), wk = 0.0018365 k( 9) = ( 0.0000000 0.1136337 0.4235010), wk = 0.0018365 k( 10) = ( 0.0000000 0.1136337 0.5477279), wk = 0.0018365 k( 11) = ( 0.0000000 0.1136337 -0.4460877), wk = 0.0018365 k( 12) = ( 0.0000000 0.1136337 -0.3218607), wk = 0.0018365 k( 13) = ( 0.0000000 0.1136337 -0.1976338), wk = 0.0018365 k( 14) = ( 0.0000000 0.1136337 -0.0734068), wk = 0.0018365 k( 15) = ( 0.0000000 0.2272675 0.1016402), wk = 0.0018365 k( 16) = ( 0.0000000 0.2272675 0.2258672), wk = 0.0018365 k( 17) = ( 0.0000000 0.2272675 0.3500941), wk = 0.0018365 k( 18) = ( 0.0000000 0.2272675 0.4743211), wk = 0.0018365 k( 19) = ( 0.0000000 0.2272675 0.5985480), wk = 0.0018365 k( 20) = ( 0.0000000 0.2272675 -0.3952676), wk = 0.0018365 k( 21) = ( 0.0000000 0.2272675 -0.2710406), wk = 0.0018365 k( 22) = ( 0.0000000 0.2272675 -0.1468137), wk = 0.0018365 k( 23) = ( 0.0000000 0.2272675 -0.0225867), wk = 0.0018365 k( 24) = ( 0.0000000 0.3409012 0.1524604), wk = 0.0018365 k( 25) = ( 0.0000000 0.3409012 0.2766873), wk = 0.0018365 k( 26) = ( 0.0000000 0.3409012 0.4009143), wk = 0.0018365 k( 27) = ( 0.0000000 0.3409012 0.5251412), wk = 0.0018365 k( 28) = ( 0.0000000 0.3409012 0.6493682), wk = 0.0018365 k( 29) = ( 0.0000000 0.3409012 -0.3444475), wk = 0.0018365 k( 30) = ( 0.0000000 0.3409012 -0.2202205), wk = 0.0018365 k( 31) = ( 0.0000000 0.3409012 -0.0959936), wk = 0.0018365 k( 32) = ( 0.0000000 0.3409012 0.0282334), wk = 0.0018365 k( 33) = ( 0.0000000 0.4545350 0.2032805), wk = 0.0018365 k( 34) = ( 0.0000000 0.4545350 0.3275074), wk = 0.0018365 k( 35) = ( 0.0000000 0.4545350 0.4517344), wk = 0.0018365 k( 36) = ( 0.0000000 0.4545350 0.5759613), wk = 0.0018365 k( 37) = ( 0.0000000 0.4545350 0.7001883), wk = 0.0018365 k( 38) = ( 0.0000000 0.4545350 -0.2936273), wk = 0.0018365 k( 39) = ( 0.0000000 0.4545350 -0.1694004), wk = 0.0018365 k( 40) = ( 0.0000000 0.4545350 -0.0451734), wk = 0.0018365 k( 41) = ( 0.0000000 0.4545350 0.0790535), wk = 0.0018365 k( 42) = ( 0.0000000 0.5681687 0.2541006), wk = 0.0018365 k( 43) = ( 0.0000000 0.5681687 0.3783275), wk = 0.0018365 k( 44) = ( 0.0000000 0.5681687 0.5025545), wk = 0.0018365 k( 45) = ( 0.0000000 0.5681687 0.6267814), wk = 0.0018365 k( 46) = ( 0.0000000 0.5681687 0.7510084), wk = 0.0018365 k( 47) = ( 0.0000000 0.5681687 -0.2428072), wk = 0.0018365 k( 48) = ( 0.0000000 0.5681687 -0.1185803), wk = 0.0018365 k( 49) = ( 0.0000000 0.5681687 0.0056467), wk = 0.0018365 k( 50) = ( 0.0000000 0.5681687 0.1298736), wk = 0.0018365 k( 51) = ( 0.0909091 0.0681775 0.0508201), wk = 0.0018365 k( 52) = ( 0.0909091 0.0681775 0.1750471), wk = 0.0018365 k( 53) = ( 0.0909091 0.0681775 0.2992740), wk = 0.0018365 k( 54) = ( 0.0909091 0.0681775 0.4235010), wk = 0.0018365 k( 55) = ( 0.0909091 0.0681775 0.5477279), wk = 0.0018365 k( 56) = ( 0.0909091 0.0681775 -0.4460877), wk = 0.0018365 k( 57) = ( 0.0909091 0.0681775 -0.3218607), wk = 0.0018365 k( 58) = ( 0.0909091 0.0681775 -0.1976338), wk = 0.0018365 k( 59) = ( 0.0909091 0.0681775 -0.0734068), wk = 0.0018365 k( 60) = ( 0.0909091 0.1818112 0.1016402), wk = 0.0018365 k( 61) = ( 0.0909091 0.1818112 0.2258672), wk = 0.0018365 k( 62) = ( 0.0909091 0.1818112 0.3500941), wk = 0.0018365 k( 63) = ( 0.0909091 0.1818112 0.4743211), wk = 0.0018365 k( 64) = ( 0.0909091 0.1818112 0.5985480), wk = 0.0018365 k( 65) = ( 0.0909091 0.1818112 -0.3952676), wk = 0.0018365 k( 66) = ( 0.0909091 0.1818112 -0.2710406), wk = 0.0018365 k( 67) = ( 0.0909091 0.1818112 -0.1468137), wk = 0.0018365 k( 68) = ( 0.0909091 0.1818112 -0.0225867), wk = 0.0018365 k( 69) = ( 0.0909091 0.2954450 0.1524604), wk = 0.0018365 k( 70) = ( 0.0909091 0.2954450 0.2766873), wk = 0.0018365 k( 71) = ( 0.0909091 0.2954450 0.4009143), wk = 0.0018365 k( 72) = ( 0.0909091 0.2954450 0.5251412), wk = 0.0018365 k( 73) = ( 0.0909091 0.2954450 0.6493682), wk = 0.0018365 k( 74) = ( 0.0909091 0.2954450 -0.3444475), wk = 0.0018365 k( 75) = ( 0.0909091 0.2954450 -0.2202205), wk = 0.0018365 k( 76) = ( 0.0909091 0.2954450 -0.0959936), wk = 0.0018365 k( 77) = ( 0.0909091 0.2954450 0.0282334), wk = 0.0018365 k( 78) = ( 0.0909091 0.4090787 0.2032805), wk = 0.0018365 k( 79) = ( 0.0909091 0.4090787 0.3275074), wk = 0.0018365 k( 80) = ( 0.0909091 0.4090787 0.4517344), wk = 0.0018365 k( 81) = ( 0.0909091 0.4090787 0.5759613), wk = 0.0018365 k( 82) = ( 0.0909091 0.4090787 0.7001883), wk = 0.0018365 k( 83) = ( 0.0909091 0.4090787 -0.2936273), wk = 0.0018365 k( 84) = ( 0.0909091 0.4090787 -0.1694004), wk = 0.0018365 k( 85) = ( 0.0909091 0.4090787 -0.0451734), wk = 0.0018365 k( 86) = ( 0.0909091 0.4090787 0.0790535), wk = 0.0018365 k( 87) = ( 0.0909091 0.5227124 0.2541006), wk = 0.0018365 k( 88) = ( 0.0909091 0.5227124 0.3783275), wk = 0.0018365 k( 89) = ( 0.0909091 0.5227124 0.5025545), wk = 0.0018365 k( 90) = ( 0.0909091 0.5227124 0.6267814), wk = 0.0018365 k( 91) = ( 0.0909091 0.5227124 0.7510084), wk = 0.0018365 k( 92) = ( 0.0909091 0.5227124 -0.2428072), wk = 0.0018365 k( 93) = ( 0.0909091 0.5227124 -0.1185803), wk = 0.0018365 k( 94) = ( 0.0909091 0.5227124 0.0056467), wk = 0.0018365 k( 95) = ( 0.0909091 0.5227124 0.1298736), wk = 0.0018365 k( 96) = ( 0.0909091 0.6363462 0.3049207), wk = 0.0018365 k( 97) = ( 0.0909091 0.6363462 0.4291477), wk = 0.0018365 k( 98) = ( 0.0909091 0.6363462 0.5533746), wk = 0.0018365 k( 99) = ( 0.0909091 0.6363462 0.6776016), wk = 0.0018365 k( 100) = ( 0.0909091 0.6363462 0.8018285), wk = 0.0018365 k( 101) = ( 0.0909091 0.6363462 -0.1919871), wk = 0.0018365 k( 102) = ( 0.0909091 0.6363462 -0.0677602), wk = 0.0018365 k( 103) = ( 0.0909091 0.6363462 0.0564668), wk = 0.0018365 k( 104) = ( 0.0909091 0.6363462 0.1806937), wk = 0.0018365 k( 105) = ( 0.0909091 -0.4999913 -0.2032805), wk = 0.0018365 k( 106) = ( 0.0909091 -0.4999913 -0.0790535), wk = 0.0018365 k( 107) = ( 0.0909091 -0.4999913 0.0451734), wk = 0.0018365 k( 108) = ( 0.0909091 -0.4999913 0.1694004), wk = 0.0018365 k( 109) = ( 0.0909091 -0.4999913 0.2936273), wk = 0.0018365 k( 110) = ( 0.0909091 -0.4999913 -0.7001883), wk = 0.0018365 k( 111) = ( 0.0909091 -0.4999913 -0.5759613), wk = 0.0018365 k( 112) = ( 0.0909091 -0.4999913 -0.4517344), wk = 0.0018365 k( 113) = ( 0.0909091 -0.4999913 -0.3275074), wk = 0.0018365 k( 114) = ( 0.0909091 -0.3863575 -0.1524604), wk = 0.0018365 k( 115) = ( 0.0909091 -0.3863575 -0.0282334), wk = 0.0018365 k( 116) = ( 0.0909091 -0.3863575 0.0959936), wk = 0.0018365 k( 117) = ( 0.0909091 -0.3863575 0.2202205), wk = 0.0018365 k( 118) = ( 0.0909091 -0.3863575 0.3444475), wk = 0.0018365 k( 119) = ( 0.0909091 -0.3863575 -0.6493682), wk = 0.0018365 k( 120) = ( 0.0909091 -0.3863575 -0.5251412), wk = 0.0018365 k( 121) = ( 0.0909091 -0.3863575 -0.4009143), wk = 0.0018365 k( 122) = ( 0.0909091 -0.3863575 -0.2766873), wk = 0.0018365 k( 123) = ( 0.0909091 -0.2727238 -0.1016402), wk = 0.0018365 k( 124) = ( 0.0909091 -0.2727238 0.0225867), wk = 0.0018365 k( 125) = ( 0.0909091 -0.2727238 0.1468137), wk = 0.0018365 k( 126) = ( 0.0909091 -0.2727238 0.2710406), wk = 0.0018365 k( 127) = ( 0.0909091 -0.2727238 0.3952676), wk = 0.0018365 k( 128) = ( 0.0909091 -0.2727238 -0.5985480), wk = 0.0018365 k( 129) = ( 0.0909091 -0.2727238 -0.4743211), wk = 0.0018365 k( 130) = ( 0.0909091 -0.2727238 -0.3500941), wk = 0.0018365 k( 131) = ( 0.0909091 -0.2727238 -0.2258672), wk = 0.0018365 k( 132) = ( 0.0909091 -0.1590900 -0.0508201), wk = 0.0018365 k( 133) = ( 0.0909091 -0.1590900 0.0734068), wk = 0.0018365 k( 134) = ( 0.0909091 -0.1590900 0.1976338), wk = 0.0018365 k( 135) = ( 0.0909091 -0.1590900 0.3218607), wk = 0.0018365 k( 136) = ( 0.0909091 -0.1590900 0.4460877), wk = 0.0018365 k( 137) = ( 0.0909091 -0.1590900 -0.5477279), wk = 0.0018365 k( 138) = ( 0.0909091 -0.1590900 -0.4235010), wk = 0.0018365 k( 139) = ( 0.0909091 -0.1590900 -0.2992740), wk = 0.0018365 k( 140) = ( 0.0909091 -0.1590900 -0.1750471), wk = 0.0018365 k( 141) = ( 0.0909091 -0.0454563 -0.0000000), wk = 0.0018365 k( 142) = ( 0.0909091 -0.0454563 0.1242270), wk = 0.0036731 k( 143) = ( 0.0909091 -0.0454563 0.2484539), wk = 0.0036731 k( 144) = ( 0.0909091 -0.0454563 0.3726809), wk = 0.0036731 k( 145) = ( 0.0909091 -0.0454563 0.4969078), wk = 0.0036731 k( 146) = ( 0.1818182 0.1363549 0.1016402), wk = 0.0018365 k( 147) = ( 0.1818182 0.1363549 0.2258672), wk = 0.0018365 k( 148) = ( 0.1818182 0.1363549 0.3500941), wk = 0.0018365 k( 149) = ( 0.1818182 0.1363549 0.4743211), wk = 0.0018365 k( 150) = ( 0.1818182 0.1363549 0.5985480), wk = 0.0018365 k( 151) = ( 0.1818182 0.1363549 -0.3952676), wk = 0.0018365 k( 152) = ( 0.1818182 0.1363549 -0.2710406), wk = 0.0018365 k( 153) = ( 0.1818182 0.1363549 -0.1468137), wk = 0.0018365 k( 154) = ( 0.1818182 0.1363549 -0.0225867), wk = 0.0018365 k( 155) = ( 0.1818182 0.2499887 0.1524604), wk = 0.0018365 k( 156) = ( 0.1818182 0.2499887 0.2766873), wk = 0.0018365 k( 157) = ( 0.1818182 0.2499887 0.4009143), wk = 0.0018365 k( 158) = ( 0.1818182 0.2499887 0.5251412), wk = 0.0018365 k( 159) = ( 0.1818182 0.2499887 0.6493682), wk = 0.0018365 k( 160) = ( 0.1818182 0.2499887 -0.3444475), wk = 0.0018365 k( 161) = ( 0.1818182 0.2499887 -0.2202205), wk = 0.0018365 k( 162) = ( 0.1818182 0.2499887 -0.0959936), wk = 0.0018365 k( 163) = ( 0.1818182 0.2499887 0.0282334), wk = 0.0018365 k( 164) = ( 0.1818182 0.3636224 0.2032805), wk = 0.0018365 k( 165) = ( 0.1818182 0.3636224 0.3275074), wk = 0.0018365 k( 166) = ( 0.1818182 0.3636224 0.4517344), wk = 0.0018365 k( 167) = ( 0.1818182 0.3636224 0.5759613), wk = 0.0018365 k( 168) = ( 0.1818182 0.3636224 0.7001883), wk = 0.0018365 k( 169) = ( 0.1818182 0.3636224 -0.2936273), wk = 0.0018365 k( 170) = ( 0.1818182 0.3636224 -0.1694004), wk = 0.0018365 k( 171) = ( 0.1818182 0.3636224 -0.0451734), wk = 0.0018365 k( 172) = ( 0.1818182 0.3636224 0.0790535), wk = 0.0018365 k( 173) = ( 0.1818182 0.4772562 0.2541006), wk = 0.0018365 k( 174) = ( 0.1818182 0.4772562 0.3783275), wk = 0.0018365 k( 175) = ( 0.1818182 0.4772562 0.5025545), wk = 0.0018365 k( 176) = ( 0.1818182 0.4772562 0.6267814), wk = 0.0018365 k( 177) = ( 0.1818182 0.4772562 0.7510084), wk = 0.0018365 k( 178) = ( 0.1818182 0.4772562 -0.2428072), wk = 0.0018365 k( 179) = ( 0.1818182 0.4772562 -0.1185803), wk = 0.0018365 k( 180) = ( 0.1818182 0.4772562 0.0056467), wk = 0.0018365 k( 181) = ( 0.1818182 0.4772562 0.1298736), wk = 0.0018365 k( 182) = ( 0.1818182 0.5908899 0.3049207), wk = 0.0018365 k( 183) = ( 0.1818182 0.5908899 0.4291477), wk = 0.0018365 k( 184) = ( 0.1818182 0.5908899 0.5533746), wk = 0.0018365 k( 185) = ( 0.1818182 0.5908899 0.6776016), wk = 0.0018365 k( 186) = ( 0.1818182 0.5908899 0.8018285), wk = 0.0018365 k( 187) = ( 0.1818182 0.5908899 -0.1919871), wk = 0.0018365 k( 188) = ( 0.1818182 0.5908899 -0.0677602), wk = 0.0018365 k( 189) = ( 0.1818182 0.5908899 0.0564668), wk = 0.0018365 k( 190) = ( 0.1818182 0.5908899 0.1806937), wk = 0.0018365 k( 191) = ( 0.1818182 0.7045237 0.3557408), wk = 0.0018365 k( 192) = ( 0.1818182 0.7045237 0.4799678), wk = 0.0018365 k( 193) = ( 0.1818182 0.7045237 0.6041947), wk = 0.0018365 k( 194) = ( 0.1818182 0.7045237 0.7284217), wk = 0.0018365 k( 195) = ( 0.1818182 0.7045237 0.8526486), wk = 0.0018365 k( 196) = ( 0.1818182 0.7045237 -0.1411670), wk = 0.0018365 k( 197) = ( 0.1818182 0.7045237 -0.0169400), wk = 0.0018365 k( 198) = ( 0.1818182 0.7045237 0.1072869), wk = 0.0018365 k( 199) = ( 0.1818182 0.7045237 0.2315139), wk = 0.0018365 k( 200) = ( 0.1818182 -0.4318138 -0.1524604), wk = 0.0018365 k( 201) = ( 0.1818182 -0.4318138 -0.0282334), wk = 0.0018365 k( 202) = ( 0.1818182 -0.4318138 0.0959936), wk = 0.0018365 k( 203) = ( 0.1818182 -0.4318138 0.2202205), wk = 0.0018365 k( 204) = ( 0.1818182 -0.4318138 0.3444475), wk = 0.0018365 k( 205) = ( 0.1818182 -0.4318138 -0.6493682), wk = 0.0018365 k( 206) = ( 0.1818182 -0.4318138 -0.5251412), wk = 0.0018365 k( 207) = ( 0.1818182 -0.4318138 -0.4009143), wk = 0.0018365 k( 208) = ( 0.1818182 -0.4318138 -0.2766873), wk = 0.0018365 k( 209) = ( 0.1818182 -0.3181801 -0.1016402), wk = 0.0018365 k( 210) = ( 0.1818182 -0.3181801 0.0225867), wk = 0.0018365 k( 211) = ( 0.1818182 -0.3181801 0.1468137), wk = 0.0018365 k( 212) = ( 0.1818182 -0.3181801 0.2710406), wk = 0.0018365 k( 213) = ( 0.1818182 -0.3181801 0.3952676), wk = 0.0018365 k( 214) = ( 0.1818182 -0.3181801 -0.5985480), wk = 0.0018365 k( 215) = ( 0.1818182 -0.3181801 -0.4743211), wk = 0.0018365 k( 216) = ( 0.1818182 -0.3181801 -0.3500941), wk = 0.0018365 k( 217) = ( 0.1818182 -0.3181801 -0.2258672), wk = 0.0018365 k( 218) = ( 0.1818182 -0.2045463 -0.0508201), wk = 0.0018365 k( 219) = ( 0.1818182 -0.2045463 0.0734068), wk = 0.0018365 k( 220) = ( 0.1818182 -0.2045463 0.1976338), wk = 0.0018365 k( 221) = ( 0.1818182 -0.2045463 0.3218607), wk = 0.0018365 k( 222) = ( 0.1818182 -0.2045463 0.4460877), wk = 0.0018365 k( 223) = ( 0.1818182 -0.2045463 -0.5477279), wk = 0.0018365 k( 224) = ( 0.1818182 -0.2045463 -0.4235010), wk = 0.0018365 k( 225) = ( 0.1818182 -0.2045463 -0.2992740), wk = 0.0018365 k( 226) = ( 0.1818182 -0.2045463 -0.1750471), wk = 0.0018365 k( 227) = ( 0.1818182 -0.0909126 0.0000000), wk = 0.0018365 k( 228) = ( 0.1818182 -0.0909126 0.1242270), wk = 0.0036731 k( 229) = ( 0.1818182 -0.0909126 0.2484539), wk = 0.0036731 k( 230) = ( 0.1818182 -0.0909126 0.3726809), wk = 0.0036731 k( 231) = ( 0.1818182 -0.0909126 0.4969078), wk = 0.0036731 k( 232) = ( 0.1818182 0.0227212 0.0508201), wk = 0.0018365 k( 233) = ( 0.1818182 0.0227212 0.1750471), wk = 0.0018365 k( 234) = ( 0.1818182 0.0227212 0.2992740), wk = 0.0018365 k( 235) = ( 0.1818182 0.0227212 0.4235010), wk = 0.0018365 k( 236) = ( 0.1818182 0.0227212 0.5477279), wk = 0.0018365 k( 237) = ( 0.1818182 0.0227212 -0.4460877), wk = 0.0018365 k( 238) = ( 0.1818182 0.0227212 -0.3218607), wk = 0.0018365 k( 239) = ( 0.1818182 0.0227212 -0.1976338), wk = 0.0018365 k( 240) = ( 0.1818182 0.0227212 -0.0734068), wk = 0.0018365 k( 241) = ( 0.2727273 0.2045324 0.1524604), wk = 0.0018365 k( 242) = ( 0.2727273 0.2045324 0.2766873), wk = 0.0018365 k( 243) = ( 0.2727273 0.2045324 0.4009143), wk = 0.0018365 k( 244) = ( 0.2727273 0.2045324 0.5251412), wk = 0.0018365 k( 245) = ( 0.2727273 0.2045324 0.6493682), wk = 0.0018365 k( 246) = ( 0.2727273 0.2045324 -0.3444475), wk = 0.0018365 k( 247) = ( 0.2727273 0.2045324 -0.2202205), wk = 0.0018365 k( 248) = ( 0.2727273 0.2045324 -0.0959936), wk = 0.0018365 k( 249) = ( 0.2727273 0.2045324 0.0282334), wk = 0.0018365 k( 250) = ( 0.2727273 0.3181661 0.2032805), wk = 0.0018365 k( 251) = ( 0.2727273 0.3181661 0.3275074), wk = 0.0018365 k( 252) = ( 0.2727273 0.3181661 0.4517344), wk = 0.0018365 k( 253) = ( 0.2727273 0.3181661 0.5759613), wk = 0.0018365 k( 254) = ( 0.2727273 0.3181661 0.7001883), wk = 0.0018365 k( 255) = ( 0.2727273 0.3181661 -0.2936273), wk = 0.0018365 k( 256) = ( 0.2727273 0.3181661 -0.1694004), wk = 0.0018365 k( 257) = ( 0.2727273 0.3181661 -0.0451734), wk = 0.0018365 k( 258) = ( 0.2727273 0.3181661 0.0790535), wk = 0.0018365 k( 259) = ( 0.2727273 0.4317999 0.2541006), wk = 0.0018365 k( 260) = ( 0.2727273 0.4317999 0.3783275), wk = 0.0018365 k( 261) = ( 0.2727273 0.4317999 0.5025545), wk = 0.0018365 k( 262) = ( 0.2727273 0.4317999 0.6267814), wk = 0.0018365 k( 263) = ( 0.2727273 0.4317999 0.7510084), wk = 0.0018365 k( 264) = ( 0.2727273 0.4317999 -0.2428072), wk = 0.0018365 k( 265) = ( 0.2727273 0.4317999 -0.1185803), wk = 0.0018365 k( 266) = ( 0.2727273 0.4317999 0.0056467), wk = 0.0018365 k( 267) = ( 0.2727273 0.4317999 0.1298736), wk = 0.0018365 k( 268) = ( 0.2727273 0.5454336 0.3049207), wk = 0.0018365 k( 269) = ( 0.2727273 0.5454336 0.4291477), wk = 0.0018365 k( 270) = ( 0.2727273 0.5454336 0.5533746), wk = 0.0018365 k( 271) = ( 0.2727273 0.5454336 0.6776016), wk = 0.0018365 k( 272) = ( 0.2727273 0.5454336 0.8018285), wk = 0.0018365 k( 273) = ( 0.2727273 0.5454336 -0.1919871), wk = 0.0018365 k( 274) = ( 0.2727273 0.5454336 -0.0677602), wk = 0.0018365 k( 275) = ( 0.2727273 0.5454336 0.0564668), wk = 0.0018365 k( 276) = ( 0.2727273 0.5454336 0.1806937), wk = 0.0018365 k( 277) = ( 0.2727273 0.6590674 0.3557408), wk = 0.0018365 k( 278) = ( 0.2727273 0.6590674 0.4799678), wk = 0.0018365 k( 279) = ( 0.2727273 0.6590674 0.6041947), wk = 0.0018365 k( 280) = ( 0.2727273 0.6590674 0.7284217), wk = 0.0018365 k( 281) = ( 0.2727273 0.6590674 0.8526486), wk = 0.0018365 k( 282) = ( 0.2727273 0.6590674 -0.1411670), wk = 0.0018365 k( 283) = ( 0.2727273 0.6590674 -0.0169400), wk = 0.0018365 k( 284) = ( 0.2727273 0.6590674 0.1072869), wk = 0.0018365 k( 285) = ( 0.2727273 0.6590674 0.2315139), wk = 0.0018365 k( 286) = ( 0.2727273 0.7727011 0.4065609), wk = 0.0018365 k( 287) = ( 0.2727273 0.7727011 0.5307879), wk = 0.0018365 k( 288) = ( 0.2727273 0.7727011 0.6550148), wk = 0.0018365 k( 289) = ( 0.2727273 0.7727011 0.7792418), wk = 0.0018365 k( 290) = ( 0.2727273 0.7727011 0.9034687), wk = 0.0018365 k( 291) = ( 0.2727273 0.7727011 -0.0903469), wk = 0.0018365 k( 292) = ( 0.2727273 0.7727011 0.0338801), wk = 0.0018365 k( 293) = ( 0.2727273 0.7727011 0.1581070), wk = 0.0018365 k( 294) = ( 0.2727273 0.7727011 0.2823340), wk = 0.0018365 k( 295) = ( 0.2727273 -0.3636364 -0.1016402), wk = 0.0018365 k( 296) = ( 0.2727273 -0.3636364 0.0225867), wk = 0.0018365 k( 297) = ( 0.2727273 -0.3636364 0.1468137), wk = 0.0018365 k( 298) = ( 0.2727273 -0.3636364 0.2710406), wk = 0.0018365 k( 299) = ( 0.2727273 -0.3636364 0.3952676), wk = 0.0018365 k( 300) = ( 0.2727273 -0.3636364 -0.5985480), wk = 0.0018365 k( 301) = ( 0.2727273 -0.3636364 -0.4743211), wk = 0.0018365 k( 302) = ( 0.2727273 -0.3636364 -0.3500941), wk = 0.0018365 k( 303) = ( 0.2727273 -0.3636364 -0.2258672), wk = 0.0018365 k( 304) = ( 0.2727273 -0.2500026 -0.0508201), wk = 0.0018365 k( 305) = ( 0.2727273 -0.2500026 0.0734068), wk = 0.0018365 k( 306) = ( 0.2727273 -0.2500026 0.1976338), wk = 0.0018365 k( 307) = ( 0.2727273 -0.2500026 0.3218607), wk = 0.0018365 k( 308) = ( 0.2727273 -0.2500026 0.4460877), wk = 0.0018365 k( 309) = ( 0.2727273 -0.2500026 -0.5477279), wk = 0.0018365 k( 310) = ( 0.2727273 -0.2500026 -0.4235010), wk = 0.0018365 k( 311) = ( 0.2727273 -0.2500026 -0.2992740), wk = 0.0018365 k( 312) = ( 0.2727273 -0.2500026 -0.1750471), wk = 0.0018365 k( 313) = ( 0.2727273 -0.1363689 0.0000000), wk = 0.0018365 k( 314) = ( 0.2727273 -0.1363689 0.1242270), wk = 0.0036731 k( 315) = ( 0.2727273 -0.1363689 0.2484539), wk = 0.0036731 k( 316) = ( 0.2727273 -0.1363689 0.3726809), wk = 0.0036731 k( 317) = ( 0.2727273 -0.1363689 0.4969078), wk = 0.0036731 k( 318) = ( 0.2727273 -0.0227351 0.0508201), wk = 0.0018365 k( 319) = ( 0.2727273 -0.0227351 0.1750471), wk = 0.0018365 k( 320) = ( 0.2727273 -0.0227351 0.2992740), wk = 0.0018365 k( 321) = ( 0.2727273 -0.0227351 0.4235010), wk = 0.0018365 k( 322) = ( 0.2727273 -0.0227351 0.5477279), wk = 0.0018365 k( 323) = ( 0.2727273 -0.0227351 -0.4460877), wk = 0.0018365 k( 324) = ( 0.2727273 -0.0227351 -0.3218607), wk = 0.0018365 k( 325) = ( 0.2727273 -0.0227351 -0.1976338), wk = 0.0018365 k( 326) = ( 0.2727273 -0.0227351 -0.0734068), wk = 0.0018365 k( 327) = ( 0.2727273 0.0908986 0.1016402), wk = 0.0018365 k( 328) = ( 0.2727273 0.0908986 0.2258672), wk = 0.0018365 k( 329) = ( 0.2727273 0.0908986 0.3500941), wk = 0.0018365 k( 330) = ( 0.2727273 0.0908986 0.4743211), wk = 0.0018365 k( 331) = ( 0.2727273 0.0908986 0.5985480), wk = 0.0018365 k( 332) = ( 0.2727273 0.0908986 -0.3952676), wk = 0.0018365 k( 333) = ( 0.2727273 0.0908986 -0.2710406), wk = 0.0018365 k( 334) = ( 0.2727273 0.0908986 -0.1468137), wk = 0.0018365 k( 335) = ( 0.2727273 0.0908986 -0.0225867), wk = 0.0018365 k( 336) = ( 0.3636364 0.2727098 0.2032805), wk = 0.0018365 k( 337) = ( 0.3636364 0.2727098 0.3275074), wk = 0.0018365 k( 338) = ( 0.3636364 0.2727098 0.4517344), wk = 0.0018365 k( 339) = ( 0.3636364 0.2727098 0.5759613), wk = 0.0018365 k( 340) = ( 0.3636364 0.2727098 0.7001883), wk = 0.0018365 k( 341) = ( 0.3636364 0.2727098 -0.2936273), wk = 0.0018365 k( 342) = ( 0.3636364 0.2727098 -0.1694004), wk = 0.0018365 k( 343) = ( 0.3636364 0.2727098 -0.0451734), wk = 0.0018365 k( 344) = ( 0.3636364 0.2727098 0.0790535), wk = 0.0018365 k( 345) = ( 0.3636364 0.3863436 0.2541006), wk = 0.0018365 k( 346) = ( 0.3636364 0.3863436 0.3783275), wk = 0.0018365 k( 347) = ( 0.3636364 0.3863436 0.5025545), wk = 0.0018365 k( 348) = ( 0.3636364 0.3863436 0.6267814), wk = 0.0018365 k( 349) = ( 0.3636364 0.3863436 0.7510084), wk = 0.0018365 k( 350) = ( 0.3636364 0.3863436 -0.2428072), wk = 0.0018365 k( 351) = ( 0.3636364 0.3863436 -0.1185803), wk = 0.0018365 k( 352) = ( 0.3636364 0.3863436 0.0056467), wk = 0.0018365 k( 353) = ( 0.3636364 0.3863436 0.1298736), wk = 0.0018365 k( 354) = ( 0.3636364 0.4999773 0.3049207), wk = 0.0018365 k( 355) = ( 0.3636364 0.4999773 0.4291477), wk = 0.0018365 k( 356) = ( 0.3636364 0.4999773 0.5533746), wk = 0.0018365 k( 357) = ( 0.3636364 0.4999773 0.6776016), wk = 0.0018365 k( 358) = ( 0.3636364 0.4999773 0.8018285), wk = 0.0018365 k( 359) = ( 0.3636364 0.4999773 -0.1919871), wk = 0.0018365 k( 360) = ( 0.3636364 0.4999773 -0.0677602), wk = 0.0018365 k( 361) = ( 0.3636364 0.4999773 0.0564668), wk = 0.0018365 k( 362) = ( 0.3636364 0.4999773 0.1806937), wk = 0.0018365 k( 363) = ( 0.3636364 0.6136111 0.3557408), wk = 0.0018365 k( 364) = ( 0.3636364 0.6136111 0.4799678), wk = 0.0018365 k( 365) = ( 0.3636364 0.6136111 0.6041947), wk = 0.0018365 k( 366) = ( 0.3636364 0.6136111 0.7284217), wk = 0.0018365 k( 367) = ( 0.3636364 0.6136111 0.8526486), wk = 0.0018365 k( 368) = ( 0.3636364 0.6136111 -0.1411670), wk = 0.0018365 k( 369) = ( 0.3636364 0.6136111 -0.0169400), wk = 0.0018365 k( 370) = ( 0.3636364 0.6136111 0.1072869), wk = 0.0018365 k( 371) = ( 0.3636364 0.6136111 0.2315139), wk = 0.0018365 k( 372) = ( 0.3636364 0.7272448 0.4065609), wk = 0.0018365 k( 373) = ( 0.3636364 0.7272448 0.5307879), wk = 0.0018365 k( 374) = ( 0.3636364 0.7272448 0.6550148), wk = 0.0018365 k( 375) = ( 0.3636364 0.7272448 0.7792418), wk = 0.0018365 k( 376) = ( 0.3636364 0.7272448 0.9034687), wk = 0.0018365 k( 377) = ( 0.3636364 0.7272448 -0.0903469), wk = 0.0018365 k( 378) = ( 0.3636364 0.7272448 0.0338801), wk = 0.0018365 k( 379) = ( 0.3636364 0.7272448 0.1581070), wk = 0.0018365 k( 380) = ( 0.3636364 0.7272448 0.2823340), wk = 0.0018365 k( 381) = ( 0.3636364 0.8408786 0.4573811), wk = 0.0018365 k( 382) = ( 0.3636364 0.8408786 0.5816080), wk = 0.0018365 k( 383) = ( 0.3636364 0.8408786 0.7058350), wk = 0.0018365 k( 384) = ( 0.3636364 0.8408786 0.8300619), wk = 0.0018365 k( 385) = ( 0.3636364 0.8408786 0.9542889), wk = 0.0018365 k( 386) = ( 0.3636364 0.8408786 -0.0395268), wk = 0.0018365 k( 387) = ( 0.3636364 0.8408786 0.0847002), wk = 0.0018365 k( 388) = ( 0.3636364 0.8408786 0.2089271), wk = 0.0018365 k( 389) = ( 0.3636364 0.8408786 0.3331541), wk = 0.0018365 k( 390) = ( 0.3636364 -0.2954589 -0.0508201), wk = 0.0018365 k( 391) = ( 0.3636364 -0.2954589 0.0734068), wk = 0.0018365 k( 392) = ( 0.3636364 -0.2954589 0.1976338), wk = 0.0018365 k( 393) = ( 0.3636364 -0.2954589 0.3218607), wk = 0.0018365 k( 394) = ( 0.3636364 -0.2954589 0.4460877), wk = 0.0018365 k( 395) = ( 0.3636364 -0.2954589 -0.5477279), wk = 0.0018365 k( 396) = ( 0.3636364 -0.2954589 -0.4235010), wk = 0.0018365 k( 397) = ( 0.3636364 -0.2954589 -0.2992740), wk = 0.0018365 k( 398) = ( 0.3636364 -0.2954589 -0.1750471), wk = 0.0018365 k( 399) = ( 0.3636364 -0.1818252 0.0000000), wk = 0.0018365 k( 400) = ( 0.3636364 -0.1818252 0.1242270), wk = 0.0036731 k( 401) = ( 0.3636364 -0.1818252 0.2484539), wk = 0.0036731 k( 402) = ( 0.3636364 -0.1818252 0.3726809), wk = 0.0036731 k( 403) = ( 0.3636364 -0.1818252 0.4969078), wk = 0.0036731 k( 404) = ( 0.3636364 -0.0681914 0.0508201), wk = 0.0018365 k( 405) = ( 0.3636364 -0.0681914 0.1750471), wk = 0.0018365 k( 406) = ( 0.3636364 -0.0681914 0.2992740), wk = 0.0018365 k( 407) = ( 0.3636364 -0.0681914 0.4235010), wk = 0.0018365 k( 408) = ( 0.3636364 -0.0681914 0.5477279), wk = 0.0018365 k( 409) = ( 0.3636364 -0.0681914 -0.4460877), wk = 0.0018365 k( 410) = ( 0.3636364 -0.0681914 -0.3218607), wk = 0.0018365 k( 411) = ( 0.3636364 -0.0681914 -0.1976338), wk = 0.0018365 k( 412) = ( 0.3636364 -0.0681914 -0.0734068), wk = 0.0018365 k( 413) = ( 0.3636364 0.0454423 0.1016402), wk = 0.0018365 k( 414) = ( 0.3636364 0.0454423 0.2258672), wk = 0.0018365 k( 415) = ( 0.3636364 0.0454423 0.3500941), wk = 0.0018365 k( 416) = ( 0.3636364 0.0454423 0.4743211), wk = 0.0018365 k( 417) = ( 0.3636364 0.0454423 0.5985480), wk = 0.0018365 k( 418) = ( 0.3636364 0.0454423 -0.3952676), wk = 0.0018365 k( 419) = ( 0.3636364 0.0454423 -0.2710406), wk = 0.0018365 k( 420) = ( 0.3636364 0.0454423 -0.1468137), wk = 0.0018365 k( 421) = ( 0.3636364 0.0454423 -0.0225867), wk = 0.0018365 k( 422) = ( 0.3636364 0.1590761 0.1524604), wk = 0.0018365 k( 423) = ( 0.3636364 0.1590761 0.2766873), wk = 0.0018365 k( 424) = ( 0.3636364 0.1590761 0.4009143), wk = 0.0018365 k( 425) = ( 0.3636364 0.1590761 0.5251412), wk = 0.0018365 k( 426) = ( 0.3636364 0.1590761 0.6493682), wk = 0.0018365 k( 427) = ( 0.3636364 0.1590761 -0.3444475), wk = 0.0018365 k( 428) = ( 0.3636364 0.1590761 -0.2202205), wk = 0.0018365 k( 429) = ( 0.3636364 0.1590761 -0.0959936), wk = 0.0018365 k( 430) = ( 0.3636364 0.1590761 0.0282334), wk = 0.0018365 k( 431) = ( 0.4545455 0.3408873 0.2541006), wk = 0.0018365 k( 432) = ( 0.4545455 0.3408873 0.3783275), wk = 0.0018365 k( 433) = ( 0.4545455 0.3408873 0.5025545), wk = 0.0018365 k( 434) = ( 0.4545455 0.3408873 0.6267814), wk = 0.0018365 k( 435) = ( 0.4545455 0.3408873 0.7510084), wk = 0.0018365 k( 436) = ( 0.4545455 0.3408873 -0.2428072), wk = 0.0018365 k( 437) = ( 0.4545455 0.3408873 -0.1185803), wk = 0.0018365 k( 438) = ( 0.4545455 0.3408873 0.0056467), wk = 0.0018365 k( 439) = ( 0.4545455 0.3408873 0.1298736), wk = 0.0018365 k( 440) = ( 0.4545455 0.4545210 0.3049207), wk = 0.0018365 k( 441) = ( 0.4545455 0.4545210 0.4291477), wk = 0.0018365 k( 442) = ( 0.4545455 0.4545210 0.5533746), wk = 0.0018365 k( 443) = ( 0.4545455 0.4545210 0.6776016), wk = 0.0018365 k( 444) = ( 0.4545455 0.4545210 0.8018285), wk = 0.0018365 k( 445) = ( 0.4545455 0.4545210 -0.1919871), wk = 0.0018365 k( 446) = ( 0.4545455 0.4545210 -0.0677602), wk = 0.0018365 k( 447) = ( 0.4545455 0.4545210 0.0564668), wk = 0.0018365 k( 448) = ( 0.4545455 0.4545210 0.1806937), wk = 0.0018365 k( 449) = ( 0.4545455 0.5681548 0.3557408), wk = 0.0018365 k( 450) = ( 0.4545455 0.5681548 0.4799678), wk = 0.0018365 k( 451) = ( 0.4545455 0.5681548 0.6041947), wk = 0.0018365 k( 452) = ( 0.4545455 0.5681548 0.7284217), wk = 0.0018365 k( 453) = ( 0.4545455 0.5681548 0.8526486), wk = 0.0018365 k( 454) = ( 0.4545455 0.5681548 -0.1411670), wk = 0.0018365 k( 455) = ( 0.4545455 0.5681548 -0.0169400), wk = 0.0018365 k( 456) = ( 0.4545455 0.5681548 0.1072869), wk = 0.0018365 k( 457) = ( 0.4545455 0.5681548 0.2315139), wk = 0.0018365 k( 458) = ( 0.4545455 0.6817885 0.4065609), wk = 0.0018365 k( 459) = ( 0.4545455 0.6817885 0.5307879), wk = 0.0018365 k( 460) = ( 0.4545455 0.6817885 0.6550148), wk = 0.0018365 k( 461) = ( 0.4545455 0.6817885 0.7792418), wk = 0.0018365 k( 462) = ( 0.4545455 0.6817885 0.9034687), wk = 0.0018365 k( 463) = ( 0.4545455 0.6817885 -0.0903469), wk = 0.0018365 k( 464) = ( 0.4545455 0.6817885 0.0338801), wk = 0.0018365 k( 465) = ( 0.4545455 0.6817885 0.1581070), wk = 0.0018365 k( 466) = ( 0.4545455 0.6817885 0.2823340), wk = 0.0018365 k( 467) = ( 0.4545455 0.7954223 0.4573811), wk = 0.0018365 k( 468) = ( 0.4545455 0.7954223 0.5816080), wk = 0.0018365 k( 469) = ( 0.4545455 0.7954223 0.7058350), wk = 0.0018365 k( 470) = ( 0.4545455 0.7954223 0.8300619), wk = 0.0018365 k( 471) = ( 0.4545455 0.7954223 0.9542889), wk = 0.0018365 k( 472) = ( 0.4545455 0.7954223 -0.0395268), wk = 0.0018365 k( 473) = ( 0.4545455 0.7954223 0.0847002), wk = 0.0018365 k( 474) = ( 0.4545455 0.7954223 0.2089271), wk = 0.0018365 k( 475) = ( 0.4545455 0.7954223 0.3331541), wk = 0.0018365 k( 476) = ( 0.4545455 0.9090560 0.5082012), wk = 0.0018365 k( 477) = ( 0.4545455 0.9090560 0.6324281), wk = 0.0018365 k( 478) = ( 0.4545455 0.9090560 0.7566551), wk = 0.0018365 k( 479) = ( 0.4545455 0.9090560 0.8808820), wk = 0.0018365 k( 480) = ( 0.4545455 0.9090560 1.0051090), wk = 0.0018365 k( 481) = ( 0.4545455 0.9090560 0.0112934), wk = 0.0018365 k( 482) = ( 0.4545455 0.9090560 0.1355203), wk = 0.0018365 k( 483) = ( 0.4545455 0.9090560 0.2597473), wk = 0.0018365 k( 484) = ( 0.4545455 0.9090560 0.3839742), wk = 0.0018365 k( 485) = ( 0.4545455 -0.2272814 -0.0000000), wk = 0.0018365 k( 486) = ( 0.4545455 -0.2272814 0.1242270), wk = 0.0036731 k( 487) = ( 0.4545455 -0.2272814 0.2484539), wk = 0.0036731 k( 488) = ( 0.4545455 -0.2272814 0.3726809), wk = 0.0036731 k( 489) = ( 0.4545455 -0.2272814 0.4969078), wk = 0.0036731 k( 490) = ( 0.4545455 -0.1136477 0.0508201), wk = 0.0018365 k( 491) = ( 0.4545455 -0.1136477 0.1750471), wk = 0.0018365 k( 492) = ( 0.4545455 -0.1136477 0.2992740), wk = 0.0018365 k( 493) = ( 0.4545455 -0.1136477 0.4235010), wk = 0.0018365 k( 494) = ( 0.4545455 -0.1136477 0.5477279), wk = 0.0018365 k( 495) = ( 0.4545455 -0.1136477 -0.4460877), wk = 0.0018365 k( 496) = ( 0.4545455 -0.1136477 -0.3218607), wk = 0.0018365 k( 497) = ( 0.4545455 -0.1136477 -0.1976338), wk = 0.0018365 k( 498) = ( 0.4545455 -0.1136477 -0.0734068), wk = 0.0018365 k( 499) = ( 0.4545455 -0.0000140 0.1016402), wk = 0.0018365 k( 500) = ( 0.4545455 -0.0000140 0.2258672), wk = 0.0018365 k( 501) = ( 0.4545455 -0.0000140 0.3500941), wk = 0.0018365 k( 502) = ( 0.4545455 -0.0000140 0.4743211), wk = 0.0018365 k( 503) = ( 0.4545455 -0.0000140 0.5985480), wk = 0.0018365 k( 504) = ( 0.4545455 -0.0000140 -0.3952676), wk = 0.0018365 k( 505) = ( 0.4545455 -0.0000140 -0.2710406), wk = 0.0018365 k( 506) = ( 0.4545455 -0.0000140 -0.1468137), wk = 0.0018365 k( 507) = ( 0.4545455 -0.0000140 -0.0225867), wk = 0.0018365 k( 508) = ( 0.4545455 0.1136198 0.1524604), wk = 0.0018365 k( 509) = ( 0.4545455 0.1136198 0.2766873), wk = 0.0018365 k( 510) = ( 0.4545455 0.1136198 0.4009143), wk = 0.0018365 k( 511) = ( 0.4545455 0.1136198 0.5251412), wk = 0.0018365 k( 512) = ( 0.4545455 0.1136198 0.6493682), wk = 0.0018365 k( 513) = ( 0.4545455 0.1136198 -0.3444475), wk = 0.0018365 k( 514) = ( 0.4545455 0.1136198 -0.2202205), wk = 0.0018365 k( 515) = ( 0.4545455 0.1136198 -0.0959936), wk = 0.0018365 k( 516) = ( 0.4545455 0.1136198 0.0282334), wk = 0.0018365 k( 517) = ( 0.4545455 0.2272535 0.2032805), wk = 0.0018365 k( 518) = ( 0.4545455 0.2272535 0.3275074), wk = 0.0018365 k( 519) = ( 0.4545455 0.2272535 0.4517344), wk = 0.0018365 k( 520) = ( 0.4545455 0.2272535 0.5759613), wk = 0.0018365 k( 521) = ( 0.4545455 0.2272535 0.7001883), wk = 0.0018365 k( 522) = ( 0.4545455 0.2272535 -0.2936273), wk = 0.0018365 k( 523) = ( 0.4545455 0.2272535 -0.1694004), wk = 0.0018365 k( 524) = ( 0.4545455 0.2272535 -0.0451734), wk = 0.0018365 k( 525) = ( 0.4545455 0.2272535 0.0790535), wk = 0.0018365 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0009183 k( 2) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0018365 k( 3) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0018365 k( 4) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0018365 k( 5) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0018365 k( 6) = ( 0.0000000 0.0909091 -0.0000000), wk = 0.0018365 k( 7) = ( 0.0000000 0.0909091 0.1111111), wk = 0.0018365 k( 8) = ( 0.0000000 0.0909091 0.2222222), wk = 0.0018365 k( 9) = ( 0.0000000 0.0909091 0.3333333), wk = 0.0018365 k( 10) = ( 0.0000000 0.0909091 0.4444444), wk = 0.0018365 k( 11) = ( 0.0000000 0.0909091 -0.4444444), wk = 0.0018365 k( 12) = ( 0.0000000 0.0909091 -0.3333333), wk = 0.0018365 k( 13) = ( 0.0000000 0.0909091 -0.2222222), wk = 0.0018365 k( 14) = ( 0.0000000 0.0909091 -0.1111111), wk = 0.0018365 k( 15) = ( 0.0000000 0.1818182 -0.0000000), wk = 0.0018365 k( 16) = ( 0.0000000 0.1818182 0.1111111), wk = 0.0018365 k( 17) = ( 0.0000000 0.1818182 0.2222222), wk = 0.0018365 k( 18) = ( 0.0000000 0.1818182 0.3333333), wk = 0.0018365 k( 19) = ( 0.0000000 0.1818182 0.4444444), wk = 0.0018365 k( 20) = ( 0.0000000 0.1818182 -0.4444444), wk = 0.0018365 k( 21) = ( 0.0000000 0.1818182 -0.3333333), wk = 0.0018365 k( 22) = ( 0.0000000 0.1818182 -0.2222222), wk = 0.0018365 k( 23) = ( 0.0000000 0.1818182 -0.1111111), wk = 0.0018365 k( 24) = ( 0.0000000 0.2727273 -0.0000000), wk = 0.0018365 k( 25) = ( 0.0000000 0.2727273 0.1111111), wk = 0.0018365 k( 26) = ( 0.0000000 0.2727273 0.2222222), wk = 0.0018365 k( 27) = ( 0.0000000 0.2727273 0.3333333), wk = 0.0018365 k( 28) = ( 0.0000000 0.2727273 0.4444444), wk = 0.0018365 k( 29) = ( 0.0000000 0.2727273 -0.4444444), wk = 0.0018365 k( 30) = ( 0.0000000 0.2727273 -0.3333333), wk = 0.0018365 k( 31) = ( 0.0000000 0.2727273 -0.2222222), wk = 0.0018365 k( 32) = ( 0.0000000 0.2727273 -0.1111111), wk = 0.0018365 k( 33) = ( 0.0000000 0.3636364 -0.0000000), wk = 0.0018365 k( 34) = ( 0.0000000 0.3636364 0.1111111), wk = 0.0018365 k( 35) = ( 0.0000000 0.3636364 0.2222222), wk = 0.0018365 k( 36) = ( 0.0000000 0.3636364 0.3333333), wk = 0.0018365 k( 37) = ( 0.0000000 0.3636364 0.4444444), wk = 0.0018365 k( 38) = ( 0.0000000 0.3636364 -0.4444444), wk = 0.0018365 k( 39) = ( 0.0000000 0.3636364 -0.3333333), wk = 0.0018365 k( 40) = ( 0.0000000 0.3636364 -0.2222222), wk = 0.0018365 k( 41) = ( 0.0000000 0.3636364 -0.1111111), wk = 0.0018365 k( 42) = ( 0.0000000 0.4545455 -0.0000000), wk = 0.0018365 k( 43) = ( 0.0000000 0.4545455 0.1111111), wk = 0.0018365 k( 44) = ( 0.0000000 0.4545455 0.2222222), wk = 0.0018365 k( 45) = ( 0.0000000 0.4545455 0.3333333), wk = 0.0018365 k( 46) = ( 0.0000000 0.4545455 0.4444444), wk = 0.0018365 k( 47) = ( 0.0000000 0.4545455 -0.4444444), wk = 0.0018365 k( 48) = ( 0.0000000 0.4545455 -0.3333333), wk = 0.0018365 k( 49) = ( 0.0000000 0.4545455 -0.2222222), wk = 0.0018365 k( 50) = ( 0.0000000 0.4545455 -0.1111111), wk = 0.0018365 k( 51) = ( 0.0909091 0.0000000 -0.0000000), wk = 0.0018365 k( 52) = ( 0.0909091 0.0000000 0.1111111), wk = 0.0018365 k( 53) = ( 0.0909091 0.0000000 0.2222222), wk = 0.0018365 k( 54) = ( 0.0909091 0.0000000 0.3333333), wk = 0.0018365 k( 55) = ( 0.0909091 0.0000000 0.4444444), wk = 0.0018365 k( 56) = ( 0.0909091 0.0000000 -0.4444444), wk = 0.0018365 k( 57) = ( 0.0909091 0.0000000 -0.3333333), wk = 0.0018365 k( 58) = ( 0.0909091 0.0000000 -0.2222222), wk = 0.0018365 k( 59) = ( 0.0909091 0.0000000 -0.1111111), wk = 0.0018365 k( 60) = ( 0.0909091 0.0909091 -0.0000000), wk = 0.0018365 k( 61) = ( 0.0909091 0.0909091 0.1111111), wk = 0.0018365 k( 62) = ( 0.0909091 0.0909091 0.2222222), wk = 0.0018365 k( 63) = ( 0.0909091 0.0909091 0.3333333), wk = 0.0018365 k( 64) = ( 0.0909091 0.0909091 0.4444444), wk = 0.0018365 k( 65) = ( 0.0909091 0.0909091 -0.4444444), wk = 0.0018365 k( 66) = ( 0.0909091 0.0909091 -0.3333333), wk = 0.0018365 k( 67) = ( 0.0909091 0.0909091 -0.2222222), wk = 0.0018365 k( 68) = ( 0.0909091 0.0909091 -0.1111111), wk = 0.0018365 k( 69) = ( 0.0909091 0.1818182 -0.0000000), wk = 0.0018365 k( 70) = ( 0.0909091 0.1818182 0.1111111), wk = 0.0018365 k( 71) = ( 0.0909091 0.1818182 0.2222222), wk = 0.0018365 k( 72) = ( 0.0909091 0.1818182 0.3333333), wk = 0.0018365 k( 73) = ( 0.0909091 0.1818182 0.4444444), wk = 0.0018365 k( 74) = ( 0.0909091 0.1818182 -0.4444444), wk = 0.0018365 k( 75) = ( 0.0909091 0.1818182 -0.3333333), wk = 0.0018365 k( 76) = ( 0.0909091 0.1818182 -0.2222222), wk = 0.0018365 k( 77) = ( 0.0909091 0.1818182 -0.1111111), wk = 0.0018365 k( 78) = ( 0.0909091 0.2727273 -0.0000000), wk = 0.0018365 k( 79) = ( 0.0909091 0.2727273 0.1111111), wk = 0.0018365 k( 80) = ( 0.0909091 0.2727273 0.2222222), wk = 0.0018365 k( 81) = ( 0.0909091 0.2727273 0.3333333), wk = 0.0018365 k( 82) = ( 0.0909091 0.2727273 0.4444444), wk = 0.0018365 k( 83) = ( 0.0909091 0.2727273 -0.4444444), wk = 0.0018365 k( 84) = ( 0.0909091 0.2727273 -0.3333333), wk = 0.0018365 k( 85) = ( 0.0909091 0.2727273 -0.2222222), wk = 0.0018365 k( 86) = ( 0.0909091 0.2727273 -0.1111111), wk = 0.0018365 k( 87) = ( 0.0909091 0.3636364 -0.0000000), wk = 0.0018365 k( 88) = ( 0.0909091 0.3636364 0.1111111), wk = 0.0018365 k( 89) = ( 0.0909091 0.3636364 0.2222222), wk = 0.0018365 k( 90) = ( 0.0909091 0.3636364 0.3333333), wk = 0.0018365 k( 91) = ( 0.0909091 0.3636364 0.4444444), wk = 0.0018365 k( 92) = ( 0.0909091 0.3636364 -0.4444444), wk = 0.0018365 k( 93) = ( 0.0909091 0.3636364 -0.3333333), wk = 0.0018365 k( 94) = ( 0.0909091 0.3636364 -0.2222222), wk = 0.0018365 k( 95) = ( 0.0909091 0.3636364 -0.1111111), wk = 0.0018365 k( 96) = ( 0.0909091 0.4545455 -0.0000000), wk = 0.0018365 k( 97) = ( 0.0909091 0.4545455 0.1111111), wk = 0.0018365 k( 98) = ( 0.0909091 0.4545455 0.2222222), wk = 0.0018365 k( 99) = ( 0.0909091 0.4545455 0.3333333), wk = 0.0018365 k( 100) = ( 0.0909091 0.4545455 0.4444444), wk = 0.0018365 k( 101) = ( 0.0909091 0.4545455 -0.4444444), wk = 0.0018365 k( 102) = ( 0.0909091 0.4545455 -0.3333333), wk = 0.0018365 k( 103) = ( 0.0909091 0.4545455 -0.2222222), wk = 0.0018365 k( 104) = ( 0.0909091 0.4545455 -0.1111111), wk = 0.0018365 k( 105) = ( 0.0909091 -0.4545455 -0.0000000), wk = 0.0018365 k( 106) = ( 0.0909091 -0.4545455 0.1111111), wk = 0.0018365 k( 107) = ( 0.0909091 -0.4545455 0.2222222), wk = 0.0018365 k( 108) = ( 0.0909091 -0.4545455 0.3333333), wk = 0.0018365 k( 109) = ( 0.0909091 -0.4545455 0.4444444), wk = 0.0018365 k( 110) = ( 0.0909091 -0.4545455 -0.4444444), wk = 0.0018365 k( 111) = ( 0.0909091 -0.4545455 -0.3333333), wk = 0.0018365 k( 112) = ( 0.0909091 -0.4545455 -0.2222222), wk = 0.0018365 k( 113) = ( 0.0909091 -0.4545455 -0.1111111), wk = 0.0018365 k( 114) = ( 0.0909091 -0.3636364 0.0000000), wk = 0.0018365 k( 115) = ( 0.0909091 -0.3636364 0.1111111), wk = 0.0018365 k( 116) = ( 0.0909091 -0.3636364 0.2222222), wk = 0.0018365 k( 117) = ( 0.0909091 -0.3636364 0.3333333), wk = 0.0018365 k( 118) = ( 0.0909091 -0.3636364 0.4444444), wk = 0.0018365 k( 119) = ( 0.0909091 -0.3636364 -0.4444444), wk = 0.0018365 k( 120) = ( 0.0909091 -0.3636364 -0.3333333), wk = 0.0018365 k( 121) = ( 0.0909091 -0.3636364 -0.2222222), wk = 0.0018365 k( 122) = ( 0.0909091 -0.3636364 -0.1111111), wk = 0.0018365 k( 123) = ( 0.0909091 -0.2727273 0.0000000), wk = 0.0018365 k( 124) = ( 0.0909091 -0.2727273 0.1111111), wk = 0.0018365 k( 125) = ( 0.0909091 -0.2727273 0.2222222), wk = 0.0018365 k( 126) = ( 0.0909091 -0.2727273 0.3333333), wk = 0.0018365 k( 127) = ( 0.0909091 -0.2727273 0.4444444), wk = 0.0018365 k( 128) = ( 0.0909091 -0.2727273 -0.4444444), wk = 0.0018365 k( 129) = ( 0.0909091 -0.2727273 -0.3333333), wk = 0.0018365 k( 130) = ( 0.0909091 -0.2727273 -0.2222222), wk = 0.0018365 k( 131) = ( 0.0909091 -0.2727273 -0.1111111), wk = 0.0018365 k( 132) = ( 0.0909091 -0.1818182 0.0000000), wk = 0.0018365 k( 133) = ( 0.0909091 -0.1818182 0.1111111), wk = 0.0018365 k( 134) = ( 0.0909091 -0.1818182 0.2222222), wk = 0.0018365 k( 135) = ( 0.0909091 -0.1818182 0.3333333), wk = 0.0018365 k( 136) = ( 0.0909091 -0.1818182 0.4444444), wk = 0.0018365 k( 137) = ( 0.0909091 -0.1818182 -0.4444444), wk = 0.0018365 k( 138) = ( 0.0909091 -0.1818182 -0.3333333), wk = 0.0018365 k( 139) = ( 0.0909091 -0.1818182 -0.2222222), wk = 0.0018365 k( 140) = ( 0.0909091 -0.1818182 -0.1111111), wk = 0.0018365 k( 141) = ( 0.0909091 -0.0909091 -0.0000000), wk = 0.0018365 k( 142) = ( 0.0909091 -0.0909091 0.1111111), wk = 0.0036731 k( 143) = ( 0.0909091 -0.0909091 0.2222222), wk = 0.0036731 k( 144) = ( 0.0909091 -0.0909091 0.3333333), wk = 0.0036731 k( 145) = ( 0.0909091 -0.0909091 0.4444444), wk = 0.0036731 k( 146) = ( 0.1818182 0.0000000 -0.0000000), wk = 0.0018365 k( 147) = ( 0.1818182 0.0000000 0.1111111), wk = 0.0018365 k( 148) = ( 0.1818182 0.0000000 0.2222222), wk = 0.0018365 k( 149) = ( 0.1818182 0.0000000 0.3333333), wk = 0.0018365 k( 150) = ( 0.1818182 0.0000000 0.4444444), wk = 0.0018365 k( 151) = ( 0.1818182 0.0000000 -0.4444444), wk = 0.0018365 k( 152) = ( 0.1818182 0.0000000 -0.3333333), wk = 0.0018365 k( 153) = ( 0.1818182 0.0000000 -0.2222222), wk = 0.0018365 k( 154) = ( 0.1818182 0.0000000 -0.1111111), wk = 0.0018365 k( 155) = ( 0.1818182 0.0909091 -0.0000000), wk = 0.0018365 k( 156) = ( 0.1818182 0.0909091 0.1111111), wk = 0.0018365 k( 157) = ( 0.1818182 0.0909091 0.2222222), wk = 0.0018365 k( 158) = ( 0.1818182 0.0909091 0.3333333), wk = 0.0018365 k( 159) = ( 0.1818182 0.0909091 0.4444444), wk = 0.0018365 k( 160) = ( 0.1818182 0.0909091 -0.4444444), wk = 0.0018365 k( 161) = ( 0.1818182 0.0909091 -0.3333333), wk = 0.0018365 k( 162) = ( 0.1818182 0.0909091 -0.2222222), wk = 0.0018365 k( 163) = ( 0.1818182 0.0909091 -0.1111111), wk = 0.0018365 k( 164) = ( 0.1818182 0.1818182 -0.0000000), wk = 0.0018365 k( 165) = ( 0.1818182 0.1818182 0.1111111), wk = 0.0018365 k( 166) = ( 0.1818182 0.1818182 0.2222222), wk = 0.0018365 k( 167) = ( 0.1818182 0.1818182 0.3333333), wk = 0.0018365 k( 168) = ( 0.1818182 0.1818182 0.4444444), wk = 0.0018365 k( 169) = ( 0.1818182 0.1818182 -0.4444444), wk = 0.0018365 k( 170) = ( 0.1818182 0.1818182 -0.3333333), wk = 0.0018365 k( 171) = ( 0.1818182 0.1818182 -0.2222222), wk = 0.0018365 k( 172) = ( 0.1818182 0.1818182 -0.1111111), wk = 0.0018365 k( 173) = ( 0.1818182 0.2727273 -0.0000000), wk = 0.0018365 k( 174) = ( 0.1818182 0.2727273 0.1111111), wk = 0.0018365 k( 175) = ( 0.1818182 0.2727273 0.2222222), wk = 0.0018365 k( 176) = ( 0.1818182 0.2727273 0.3333333), wk = 0.0018365 k( 177) = ( 0.1818182 0.2727273 0.4444444), wk = 0.0018365 k( 178) = ( 0.1818182 0.2727273 -0.4444444), wk = 0.0018365 k( 179) = ( 0.1818182 0.2727273 -0.3333333), wk = 0.0018365 k( 180) = ( 0.1818182 0.2727273 -0.2222222), wk = 0.0018365 k( 181) = ( 0.1818182 0.2727273 -0.1111111), wk = 0.0018365 k( 182) = ( 0.1818182 0.3636364 -0.0000000), wk = 0.0018365 k( 183) = ( 0.1818182 0.3636364 0.1111111), wk = 0.0018365 k( 184) = ( 0.1818182 0.3636364 0.2222222), wk = 0.0018365 k( 185) = ( 0.1818182 0.3636364 0.3333333), wk = 0.0018365 k( 186) = ( 0.1818182 0.3636364 0.4444444), wk = 0.0018365 k( 187) = ( 0.1818182 0.3636364 -0.4444444), wk = 0.0018365 k( 188) = ( 0.1818182 0.3636364 -0.3333333), wk = 0.0018365 k( 189) = ( 0.1818182 0.3636364 -0.2222222), wk = 0.0018365 k( 190) = ( 0.1818182 0.3636364 -0.1111111), wk = 0.0018365 k( 191) = ( 0.1818182 0.4545455 -0.0000000), wk = 0.0018365 k( 192) = ( 0.1818182 0.4545455 0.1111111), wk = 0.0018365 k( 193) = ( 0.1818182 0.4545455 0.2222222), wk = 0.0018365 k( 194) = ( 0.1818182 0.4545455 0.3333333), wk = 0.0018365 k( 195) = ( 0.1818182 0.4545455 0.4444444), wk = 0.0018365 k( 196) = ( 0.1818182 0.4545455 -0.4444444), wk = 0.0018365 k( 197) = ( 0.1818182 0.4545455 -0.3333333), wk = 0.0018365 k( 198) = ( 0.1818182 0.4545455 -0.2222222), wk = 0.0018365 k( 199) = ( 0.1818182 0.4545455 -0.1111111), wk = 0.0018365 k( 200) = ( 0.1818182 -0.4545455 -0.0000000), wk = 0.0018365 k( 201) = ( 0.1818182 -0.4545455 0.1111111), wk = 0.0018365 k( 202) = ( 0.1818182 -0.4545455 0.2222222), wk = 0.0018365 k( 203) = ( 0.1818182 -0.4545455 0.3333333), wk = 0.0018365 k( 204) = ( 0.1818182 -0.4545455 0.4444444), wk = 0.0018365 k( 205) = ( 0.1818182 -0.4545455 -0.4444444), wk = 0.0018365 k( 206) = ( 0.1818182 -0.4545455 -0.3333333), wk = 0.0018365 k( 207) = ( 0.1818182 -0.4545455 -0.2222222), wk = 0.0018365 k( 208) = ( 0.1818182 -0.4545455 -0.1111111), wk = 0.0018365 k( 209) = ( 0.1818182 -0.3636364 -0.0000000), wk = 0.0018365 k( 210) = ( 0.1818182 -0.3636364 0.1111111), wk = 0.0018365 k( 211) = ( 0.1818182 -0.3636364 0.2222222), wk = 0.0018365 k( 212) = ( 0.1818182 -0.3636364 0.3333333), wk = 0.0018365 k( 213) = ( 0.1818182 -0.3636364 0.4444444), wk = 0.0018365 k( 214) = ( 0.1818182 -0.3636364 -0.4444444), wk = 0.0018365 k( 215) = ( 0.1818182 -0.3636364 -0.3333333), wk = 0.0018365 k( 216) = ( 0.1818182 -0.3636364 -0.2222222), wk = 0.0018365 k( 217) = ( 0.1818182 -0.3636364 -0.1111111), wk = 0.0018365 k( 218) = ( 0.1818182 -0.2727273 0.0000000), wk = 0.0018365 k( 219) = ( 0.1818182 -0.2727273 0.1111111), wk = 0.0018365 k( 220) = ( 0.1818182 -0.2727273 0.2222222), wk = 0.0018365 k( 221) = ( 0.1818182 -0.2727273 0.3333333), wk = 0.0018365 k( 222) = ( 0.1818182 -0.2727273 0.4444444), wk = 0.0018365 k( 223) = ( 0.1818182 -0.2727273 -0.4444444), wk = 0.0018365 k( 224) = ( 0.1818182 -0.2727273 -0.3333333), wk = 0.0018365 k( 225) = ( 0.1818182 -0.2727273 -0.2222222), wk = 0.0018365 k( 226) = ( 0.1818182 -0.2727273 -0.1111111), wk = 0.0018365 k( 227) = ( 0.1818182 -0.1818182 -0.0000000), wk = 0.0018365 k( 228) = ( 0.1818182 -0.1818182 0.1111111), wk = 0.0036731 k( 229) = ( 0.1818182 -0.1818182 0.2222222), wk = 0.0036731 k( 230) = ( 0.1818182 -0.1818182 0.3333333), wk = 0.0036731 k( 231) = ( 0.1818182 -0.1818182 0.4444444), wk = 0.0036731 k( 232) = ( 0.1818182 -0.0909091 -0.0000000), wk = 0.0018365 k( 233) = ( 0.1818182 -0.0909091 0.1111111), wk = 0.0018365 k( 234) = ( 0.1818182 -0.0909091 0.2222222), wk = 0.0018365 k( 235) = ( 0.1818182 -0.0909091 0.3333333), wk = 0.0018365 k( 236) = ( 0.1818182 -0.0909091 0.4444444), wk = 0.0018365 k( 237) = ( 0.1818182 -0.0909091 -0.4444444), wk = 0.0018365 k( 238) = ( 0.1818182 -0.0909091 -0.3333333), wk = 0.0018365 k( 239) = ( 0.1818182 -0.0909091 -0.2222222), wk = 0.0018365 k( 240) = ( 0.1818182 -0.0909091 -0.1111111), wk = 0.0018365 k( 241) = ( 0.2727273 0.0000000 -0.0000000), wk = 0.0018365 k( 242) = ( 0.2727273 0.0000000 0.1111111), wk = 0.0018365 k( 243) = ( 0.2727273 0.0000000 0.2222222), wk = 0.0018365 k( 244) = ( 0.2727273 0.0000000 0.3333333), wk = 0.0018365 k( 245) = ( 0.2727273 0.0000000 0.4444444), wk = 0.0018365 k( 246) = ( 0.2727273 0.0000000 -0.4444444), wk = 0.0018365 k( 247) = ( 0.2727273 0.0000000 -0.3333333), wk = 0.0018365 k( 248) = ( 0.2727273 0.0000000 -0.2222222), wk = 0.0018365 k( 249) = ( 0.2727273 0.0000000 -0.1111111), wk = 0.0018365 k( 250) = ( 0.2727273 0.0909091 0.0000000), wk = 0.0018365 k( 251) = ( 0.2727273 0.0909091 0.1111111), wk = 0.0018365 k( 252) = ( 0.2727273 0.0909091 0.2222222), wk = 0.0018365 k( 253) = ( 0.2727273 0.0909091 0.3333333), wk = 0.0018365 k( 254) = ( 0.2727273 0.0909091 0.4444444), wk = 0.0018365 k( 255) = ( 0.2727273 0.0909091 -0.4444444), wk = 0.0018365 k( 256) = ( 0.2727273 0.0909091 -0.3333333), wk = 0.0018365 k( 257) = ( 0.2727273 0.0909091 -0.2222222), wk = 0.0018365 k( 258) = ( 0.2727273 0.0909091 -0.1111111), wk = 0.0018365 k( 259) = ( 0.2727273 0.1818182 0.0000000), wk = 0.0018365 k( 260) = ( 0.2727273 0.1818182 0.1111111), wk = 0.0018365 k( 261) = ( 0.2727273 0.1818182 0.2222222), wk = 0.0018365 k( 262) = ( 0.2727273 0.1818182 0.3333333), wk = 0.0018365 k( 263) = ( 0.2727273 0.1818182 0.4444444), wk = 0.0018365 k( 264) = ( 0.2727273 0.1818182 -0.4444444), wk = 0.0018365 k( 265) = ( 0.2727273 0.1818182 -0.3333333), wk = 0.0018365 k( 266) = ( 0.2727273 0.1818182 -0.2222222), wk = 0.0018365 k( 267) = ( 0.2727273 0.1818182 -0.1111111), wk = 0.0018365 k( 268) = ( 0.2727273 0.2727273 -0.0000000), wk = 0.0018365 k( 269) = ( 0.2727273 0.2727273 0.1111111), wk = 0.0018365 k( 270) = ( 0.2727273 0.2727273 0.2222222), wk = 0.0018365 k( 271) = ( 0.2727273 0.2727273 0.3333333), wk = 0.0018365 k( 272) = ( 0.2727273 0.2727273 0.4444444), wk = 0.0018365 k( 273) = ( 0.2727273 0.2727273 -0.4444444), wk = 0.0018365 k( 274) = ( 0.2727273 0.2727273 -0.3333333), wk = 0.0018365 k( 275) = ( 0.2727273 0.2727273 -0.2222222), wk = 0.0018365 k( 276) = ( 0.2727273 0.2727273 -0.1111111), wk = 0.0018365 k( 277) = ( 0.2727273 0.3636364 0.0000000), wk = 0.0018365 k( 278) = ( 0.2727273 0.3636364 0.1111111), wk = 0.0018365 k( 279) = ( 0.2727273 0.3636364 0.2222222), wk = 0.0018365 k( 280) = ( 0.2727273 0.3636364 0.3333333), wk = 0.0018365 k( 281) = ( 0.2727273 0.3636364 0.4444444), wk = 0.0018365 k( 282) = ( 0.2727273 0.3636364 -0.4444444), wk = 0.0018365 k( 283) = ( 0.2727273 0.3636364 -0.3333333), wk = 0.0018365 k( 284) = ( 0.2727273 0.3636364 -0.2222222), wk = 0.0018365 k( 285) = ( 0.2727273 0.3636364 -0.1111111), wk = 0.0018365 k( 286) = ( 0.2727273 0.4545455 -0.0000000), wk = 0.0018365 k( 287) = ( 0.2727273 0.4545455 0.1111111), wk = 0.0018365 k( 288) = ( 0.2727273 0.4545455 0.2222222), wk = 0.0018365 k( 289) = ( 0.2727273 0.4545455 0.3333333), wk = 0.0018365 k( 290) = ( 0.2727273 0.4545455 0.4444444), wk = 0.0018365 k( 291) = ( 0.2727273 0.4545455 -0.4444444), wk = 0.0018365 k( 292) = ( 0.2727273 0.4545455 -0.3333333), wk = 0.0018365 k( 293) = ( 0.2727273 0.4545455 -0.2222222), wk = 0.0018365 k( 294) = ( 0.2727273 0.4545455 -0.1111111), wk = 0.0018365 k( 295) = ( 0.2727273 -0.4545455 -0.0000000), wk = 0.0018365 k( 296) = ( 0.2727273 -0.4545455 0.1111111), wk = 0.0018365 k( 297) = ( 0.2727273 -0.4545455 0.2222222), wk = 0.0018365 k( 298) = ( 0.2727273 -0.4545455 0.3333333), wk = 0.0018365 k( 299) = ( 0.2727273 -0.4545455 0.4444444), wk = 0.0018365 k( 300) = ( 0.2727273 -0.4545455 -0.4444444), wk = 0.0018365 k( 301) = ( 0.2727273 -0.4545455 -0.3333333), wk = 0.0018365 k( 302) = ( 0.2727273 -0.4545455 -0.2222222), wk = 0.0018365 k( 303) = ( 0.2727273 -0.4545455 -0.1111111), wk = 0.0018365 k( 304) = ( 0.2727273 -0.3636364 0.0000000), wk = 0.0018365 k( 305) = ( 0.2727273 -0.3636364 0.1111111), wk = 0.0018365 k( 306) = ( 0.2727273 -0.3636364 0.2222222), wk = 0.0018365 k( 307) = ( 0.2727273 -0.3636364 0.3333333), wk = 0.0018365 k( 308) = ( 0.2727273 -0.3636364 0.4444444), wk = 0.0018365 k( 309) = ( 0.2727273 -0.3636364 -0.4444444), wk = 0.0018365 k( 310) = ( 0.2727273 -0.3636364 -0.3333333), wk = 0.0018365 k( 311) = ( 0.2727273 -0.3636364 -0.2222222), wk = 0.0018365 k( 312) = ( 0.2727273 -0.3636364 -0.1111111), wk = 0.0018365 k( 313) = ( 0.2727273 -0.2727273 0.0000000), wk = 0.0018365 k( 314) = ( 0.2727273 -0.2727273 0.1111111), wk = 0.0036731 k( 315) = ( 0.2727273 -0.2727273 0.2222222), wk = 0.0036731 k( 316) = ( 0.2727273 -0.2727273 0.3333333), wk = 0.0036731 k( 317) = ( 0.2727273 -0.2727273 0.4444444), wk = 0.0036731 k( 318) = ( 0.2727273 -0.1818182 -0.0000000), wk = 0.0018365 k( 319) = ( 0.2727273 -0.1818182 0.1111111), wk = 0.0018365 k( 320) = ( 0.2727273 -0.1818182 0.2222222), wk = 0.0018365 k( 321) = ( 0.2727273 -0.1818182 0.3333333), wk = 0.0018365 k( 322) = ( 0.2727273 -0.1818182 0.4444444), wk = 0.0018365 k( 323) = ( 0.2727273 -0.1818182 -0.4444444), wk = 0.0018365 k( 324) = ( 0.2727273 -0.1818182 -0.3333333), wk = 0.0018365 k( 325) = ( 0.2727273 -0.1818182 -0.2222222), wk = 0.0018365 k( 326) = ( 0.2727273 -0.1818182 -0.1111111), wk = 0.0018365 k( 327) = ( 0.2727273 -0.0909091 -0.0000000), wk = 0.0018365 k( 328) = ( 0.2727273 -0.0909091 0.1111111), wk = 0.0018365 k( 329) = ( 0.2727273 -0.0909091 0.2222222), wk = 0.0018365 k( 330) = ( 0.2727273 -0.0909091 0.3333333), wk = 0.0018365 k( 331) = ( 0.2727273 -0.0909091 0.4444444), wk = 0.0018365 k( 332) = ( 0.2727273 -0.0909091 -0.4444444), wk = 0.0018365 k( 333) = ( 0.2727273 -0.0909091 -0.3333333), wk = 0.0018365 k( 334) = ( 0.2727273 -0.0909091 -0.2222222), wk = 0.0018365 k( 335) = ( 0.2727273 -0.0909091 -0.1111111), wk = 0.0018365 k( 336) = ( 0.3636364 0.0000000 -0.0000000), wk = 0.0018365 k( 337) = ( 0.3636364 0.0000000 0.1111111), wk = 0.0018365 k( 338) = ( 0.3636364 0.0000000 0.2222222), wk = 0.0018365 k( 339) = ( 0.3636364 0.0000000 0.3333333), wk = 0.0018365 k( 340) = ( 0.3636364 0.0000000 0.4444444), wk = 0.0018365 k( 341) = ( 0.3636364 0.0000000 -0.4444444), wk = 0.0018365 k( 342) = ( 0.3636364 0.0000000 -0.3333333), wk = 0.0018365 k( 343) = ( 0.3636364 0.0000000 -0.2222222), wk = 0.0018365 k( 344) = ( 0.3636364 0.0000000 -0.1111111), wk = 0.0018365 k( 345) = ( 0.3636364 0.0909091 -0.0000000), wk = 0.0018365 k( 346) = ( 0.3636364 0.0909091 0.1111111), wk = 0.0018365 k( 347) = ( 0.3636364 0.0909091 0.2222222), wk = 0.0018365 k( 348) = ( 0.3636364 0.0909091 0.3333333), wk = 0.0018365 k( 349) = ( 0.3636364 0.0909091 0.4444444), wk = 0.0018365 k( 350) = ( 0.3636364 0.0909091 -0.4444444), wk = 0.0018365 k( 351) = ( 0.3636364 0.0909091 -0.3333333), wk = 0.0018365 k( 352) = ( 0.3636364 0.0909091 -0.2222222), wk = 0.0018365 k( 353) = ( 0.3636364 0.0909091 -0.1111111), wk = 0.0018365 k( 354) = ( 0.3636364 0.1818182 -0.0000000), wk = 0.0018365 k( 355) = ( 0.3636364 0.1818182 0.1111111), wk = 0.0018365 k( 356) = ( 0.3636364 0.1818182 0.2222222), wk = 0.0018365 k( 357) = ( 0.3636364 0.1818182 0.3333333), wk = 0.0018365 k( 358) = ( 0.3636364 0.1818182 0.4444444), wk = 0.0018365 k( 359) = ( 0.3636364 0.1818182 -0.4444444), wk = 0.0018365 k( 360) = ( 0.3636364 0.1818182 -0.3333333), wk = 0.0018365 k( 361) = ( 0.3636364 0.1818182 -0.2222222), wk = 0.0018365 k( 362) = ( 0.3636364 0.1818182 -0.1111111), wk = 0.0018365 k( 363) = ( 0.3636364 0.2727273 -0.0000000), wk = 0.0018365 k( 364) = ( 0.3636364 0.2727273 0.1111111), wk = 0.0018365 k( 365) = ( 0.3636364 0.2727273 0.2222222), wk = 0.0018365 k( 366) = ( 0.3636364 0.2727273 0.3333333), wk = 0.0018365 k( 367) = ( 0.3636364 0.2727273 0.4444444), wk = 0.0018365 k( 368) = ( 0.3636364 0.2727273 -0.4444444), wk = 0.0018365 k( 369) = ( 0.3636364 0.2727273 -0.3333333), wk = 0.0018365 k( 370) = ( 0.3636364 0.2727273 -0.2222222), wk = 0.0018365 k( 371) = ( 0.3636364 0.2727273 -0.1111111), wk = 0.0018365 k( 372) = ( 0.3636364 0.3636364 -0.0000000), wk = 0.0018365 k( 373) = ( 0.3636364 0.3636364 0.1111111), wk = 0.0018365 k( 374) = ( 0.3636364 0.3636364 0.2222222), wk = 0.0018365 k( 375) = ( 0.3636364 0.3636364 0.3333333), wk = 0.0018365 k( 376) = ( 0.3636364 0.3636364 0.4444444), wk = 0.0018365 k( 377) = ( 0.3636364 0.3636364 -0.4444444), wk = 0.0018365 k( 378) = ( 0.3636364 0.3636364 -0.3333333), wk = 0.0018365 k( 379) = ( 0.3636364 0.3636364 -0.2222222), wk = 0.0018365 k( 380) = ( 0.3636364 0.3636364 -0.1111111), wk = 0.0018365 k( 381) = ( 0.3636364 0.4545455 -0.0000000), wk = 0.0018365 k( 382) = ( 0.3636364 0.4545455 0.1111111), wk = 0.0018365 k( 383) = ( 0.3636364 0.4545455 0.2222222), wk = 0.0018365 k( 384) = ( 0.3636364 0.4545455 0.3333333), wk = 0.0018365 k( 385) = ( 0.3636364 0.4545455 0.4444444), wk = 0.0018365 k( 386) = ( 0.3636364 0.4545455 -0.4444444), wk = 0.0018365 k( 387) = ( 0.3636364 0.4545455 -0.3333333), wk = 0.0018365 k( 388) = ( 0.3636364 0.4545455 -0.2222222), wk = 0.0018365 k( 389) = ( 0.3636364 0.4545455 -0.1111111), wk = 0.0018365 k( 390) = ( 0.3636364 -0.4545455 -0.0000000), wk = 0.0018365 k( 391) = ( 0.3636364 -0.4545455 0.1111111), wk = 0.0018365 k( 392) = ( 0.3636364 -0.4545455 0.2222222), wk = 0.0018365 k( 393) = ( 0.3636364 -0.4545455 0.3333333), wk = 0.0018365 k( 394) = ( 0.3636364 -0.4545455 0.4444444), wk = 0.0018365 k( 395) = ( 0.3636364 -0.4545455 -0.4444444), wk = 0.0018365 k( 396) = ( 0.3636364 -0.4545455 -0.3333333), wk = 0.0018365 k( 397) = ( 0.3636364 -0.4545455 -0.2222222), wk = 0.0018365 k( 398) = ( 0.3636364 -0.4545455 -0.1111111), wk = 0.0018365 k( 399) = ( 0.3636364 -0.3636364 -0.0000000), wk = 0.0018365 k( 400) = ( 0.3636364 -0.3636364 0.1111111), wk = 0.0036731 k( 401) = ( 0.3636364 -0.3636364 0.2222222), wk = 0.0036731 k( 402) = ( 0.3636364 -0.3636364 0.3333333), wk = 0.0036731 k( 403) = ( 0.3636364 -0.3636364 0.4444444), wk = 0.0036731 k( 404) = ( 0.3636364 -0.2727273 0.0000000), wk = 0.0018365 k( 405) = ( 0.3636364 -0.2727273 0.1111111), wk = 0.0018365 k( 406) = ( 0.3636364 -0.2727273 0.2222222), wk = 0.0018365 k( 407) = ( 0.3636364 -0.2727273 0.3333333), wk = 0.0018365 k( 408) = ( 0.3636364 -0.2727273 0.4444444), wk = 0.0018365 k( 409) = ( 0.3636364 -0.2727273 -0.4444444), wk = 0.0018365 k( 410) = ( 0.3636364 -0.2727273 -0.3333333), wk = 0.0018365 k( 411) = ( 0.3636364 -0.2727273 -0.2222222), wk = 0.0018365 k( 412) = ( 0.3636364 -0.2727273 -0.1111111), wk = 0.0018365 k( 413) = ( 0.3636364 -0.1818182 -0.0000000), wk = 0.0018365 k( 414) = ( 0.3636364 -0.1818182 0.1111111), wk = 0.0018365 k( 415) = ( 0.3636364 -0.1818182 0.2222222), wk = 0.0018365 k( 416) = ( 0.3636364 -0.1818182 0.3333333), wk = 0.0018365 k( 417) = ( 0.3636364 -0.1818182 0.4444444), wk = 0.0018365 k( 418) = ( 0.3636364 -0.1818182 -0.4444444), wk = 0.0018365 k( 419) = ( 0.3636364 -0.1818182 -0.3333333), wk = 0.0018365 k( 420) = ( 0.3636364 -0.1818182 -0.2222222), wk = 0.0018365 k( 421) = ( 0.3636364 -0.1818182 -0.1111111), wk = 0.0018365 k( 422) = ( 0.3636364 -0.0909091 -0.0000000), wk = 0.0018365 k( 423) = ( 0.3636364 -0.0909091 0.1111111), wk = 0.0018365 k( 424) = ( 0.3636364 -0.0909091 0.2222222), wk = 0.0018365 k( 425) = ( 0.3636364 -0.0909091 0.3333333), wk = 0.0018365 k( 426) = ( 0.3636364 -0.0909091 0.4444444), wk = 0.0018365 k( 427) = ( 0.3636364 -0.0909091 -0.4444444), wk = 0.0018365 k( 428) = ( 0.3636364 -0.0909091 -0.3333333), wk = 0.0018365 k( 429) = ( 0.3636364 -0.0909091 -0.2222222), wk = 0.0018365 k( 430) = ( 0.3636364 -0.0909091 -0.1111111), wk = 0.0018365 k( 431) = ( 0.4545455 0.0000000 -0.0000000), wk = 0.0018365 k( 432) = ( 0.4545455 0.0000000 0.1111111), wk = 0.0018365 k( 433) = ( 0.4545455 0.0000000 0.2222222), wk = 0.0018365 k( 434) = ( 0.4545455 0.0000000 0.3333333), wk = 0.0018365 k( 435) = ( 0.4545455 0.0000000 0.4444444), wk = 0.0018365 k( 436) = ( 0.4545455 0.0000000 -0.4444444), wk = 0.0018365 k( 437) = ( 0.4545455 0.0000000 -0.3333333), wk = 0.0018365 k( 438) = ( 0.4545455 0.0000000 -0.2222222), wk = 0.0018365 k( 439) = ( 0.4545455 0.0000000 -0.1111111), wk = 0.0018365 k( 440) = ( 0.4545455 0.0909091 -0.0000000), wk = 0.0018365 k( 441) = ( 0.4545455 0.0909091 0.1111111), wk = 0.0018365 k( 442) = ( 0.4545455 0.0909091 0.2222222), wk = 0.0018365 k( 443) = ( 0.4545455 0.0909091 0.3333333), wk = 0.0018365 k( 444) = ( 0.4545455 0.0909091 0.4444444), wk = 0.0018365 k( 445) = ( 0.4545455 0.0909091 -0.4444444), wk = 0.0018365 k( 446) = ( 0.4545455 0.0909091 -0.3333333), wk = 0.0018365 k( 447) = ( 0.4545455 0.0909091 -0.2222222), wk = 0.0018365 k( 448) = ( 0.4545455 0.0909091 -0.1111111), wk = 0.0018365 k( 449) = ( 0.4545455 0.1818182 0.0000000), wk = 0.0018365 k( 450) = ( 0.4545455 0.1818182 0.1111111), wk = 0.0018365 k( 451) = ( 0.4545455 0.1818182 0.2222222), wk = 0.0018365 k( 452) = ( 0.4545455 0.1818182 0.3333333), wk = 0.0018365 k( 453) = ( 0.4545455 0.1818182 0.4444444), wk = 0.0018365 k( 454) = ( 0.4545455 0.1818182 -0.4444444), wk = 0.0018365 k( 455) = ( 0.4545455 0.1818182 -0.3333333), wk = 0.0018365 k( 456) = ( 0.4545455 0.1818182 -0.2222222), wk = 0.0018365 k( 457) = ( 0.4545455 0.1818182 -0.1111111), wk = 0.0018365 k( 458) = ( 0.4545455 0.2727273 -0.0000000), wk = 0.0018365 k( 459) = ( 0.4545455 0.2727273 0.1111111), wk = 0.0018365 k( 460) = ( 0.4545455 0.2727273 0.2222222), wk = 0.0018365 k( 461) = ( 0.4545455 0.2727273 0.3333333), wk = 0.0018365 k( 462) = ( 0.4545455 0.2727273 0.4444444), wk = 0.0018365 k( 463) = ( 0.4545455 0.2727273 -0.4444444), wk = 0.0018365 k( 464) = ( 0.4545455 0.2727273 -0.3333333), wk = 0.0018365 k( 465) = ( 0.4545455 0.2727273 -0.2222222), wk = 0.0018365 k( 466) = ( 0.4545455 0.2727273 -0.1111111), wk = 0.0018365 k( 467) = ( 0.4545455 0.3636364 -0.0000000), wk = 0.0018365 k( 468) = ( 0.4545455 0.3636364 0.1111111), wk = 0.0018365 k( 469) = ( 0.4545455 0.3636364 0.2222222), wk = 0.0018365 k( 470) = ( 0.4545455 0.3636364 0.3333333), wk = 0.0018365 k( 471) = ( 0.4545455 0.3636364 0.4444444), wk = 0.0018365 k( 472) = ( 0.4545455 0.3636364 -0.4444444), wk = 0.0018365 k( 473) = ( 0.4545455 0.3636364 -0.3333333), wk = 0.0018365 k( 474) = ( 0.4545455 0.3636364 -0.2222222), wk = 0.0018365 k( 475) = ( 0.4545455 0.3636364 -0.1111111), wk = 0.0018365 k( 476) = ( 0.4545455 0.4545455 -0.0000000), wk = 0.0018365 k( 477) = ( 0.4545455 0.4545455 0.1111111), wk = 0.0018365 k( 478) = ( 0.4545455 0.4545455 0.2222222), wk = 0.0018365 k( 479) = ( 0.4545455 0.4545455 0.3333333), wk = 0.0018365 k( 480) = ( 0.4545455 0.4545455 0.4444444), wk = 0.0018365 k( 481) = ( 0.4545455 0.4545455 -0.4444444), wk = 0.0018365 k( 482) = ( 0.4545455 0.4545455 -0.3333333), wk = 0.0018365 k( 483) = ( 0.4545455 0.4545455 -0.2222222), wk = 0.0018365 k( 484) = ( 0.4545455 0.4545455 -0.1111111), wk = 0.0018365 k( 485) = ( 0.4545455 -0.4545455 -0.0000000), wk = 0.0018365 k( 486) = ( 0.4545455 -0.4545455 0.1111111), wk = 0.0036731 k( 487) = ( 0.4545455 -0.4545455 0.2222222), wk = 0.0036731 k( 488) = ( 0.4545455 -0.4545455 0.3333333), wk = 0.0036731 k( 489) = ( 0.4545455 -0.4545455 0.4444444), wk = 0.0036731 k( 490) = ( 0.4545455 -0.3636364 -0.0000000), wk = 0.0018365 k( 491) = ( 0.4545455 -0.3636364 0.1111111), wk = 0.0018365 k( 492) = ( 0.4545455 -0.3636364 0.2222222), wk = 0.0018365 k( 493) = ( 0.4545455 -0.3636364 0.3333333), wk = 0.0018365 k( 494) = ( 0.4545455 -0.3636364 0.4444444), wk = 0.0018365 k( 495) = ( 0.4545455 -0.3636364 -0.4444444), wk = 0.0018365 k( 496) = ( 0.4545455 -0.3636364 -0.3333333), wk = 0.0018365 k( 497) = ( 0.4545455 -0.3636364 -0.2222222), wk = 0.0018365 k( 498) = ( 0.4545455 -0.3636364 -0.1111111), wk = 0.0018365 k( 499) = ( 0.4545455 -0.2727273 0.0000000), wk = 0.0018365 k( 500) = ( 0.4545455 -0.2727273 0.1111111), wk = 0.0018365 k( 501) = ( 0.4545455 -0.2727273 0.2222222), wk = 0.0018365 k( 502) = ( 0.4545455 -0.2727273 0.3333333), wk = 0.0018365 k( 503) = ( 0.4545455 -0.2727273 0.4444444), wk = 0.0018365 k( 504) = ( 0.4545455 -0.2727273 -0.4444444), wk = 0.0018365 k( 505) = ( 0.4545455 -0.2727273 -0.3333333), wk = 0.0018365 k( 506) = ( 0.4545455 -0.2727273 -0.2222222), wk = 0.0018365 k( 507) = ( 0.4545455 -0.2727273 -0.1111111), wk = 0.0018365 k( 508) = ( 0.4545455 -0.1818182 -0.0000000), wk = 0.0018365 k( 509) = ( 0.4545455 -0.1818182 0.1111111), wk = 0.0018365 k( 510) = ( 0.4545455 -0.1818182 0.2222222), wk = 0.0018365 k( 511) = ( 0.4545455 -0.1818182 0.3333333), wk = 0.0018365 k( 512) = ( 0.4545455 -0.1818182 0.4444444), wk = 0.0018365 k( 513) = ( 0.4545455 -0.1818182 -0.4444444), wk = 0.0018365 k( 514) = ( 0.4545455 -0.1818182 -0.3333333), wk = 0.0018365 k( 515) = ( 0.4545455 -0.1818182 -0.2222222), wk = 0.0018365 k( 516) = ( 0.4545455 -0.1818182 -0.1111111), wk = 0.0018365 k( 517) = ( 0.4545455 -0.0909091 -0.0000000), wk = 0.0018365 k( 518) = ( 0.4545455 -0.0909091 0.1111111), wk = 0.0018365 k( 519) = ( 0.4545455 -0.0909091 0.2222222), wk = 0.0018365 k( 520) = ( 0.4545455 -0.0909091 0.3333333), wk = 0.0018365 k( 521) = ( 0.4545455 -0.0909091 0.4444444), wk = 0.0018365 k( 522) = ( 0.4545455 -0.0909091 -0.4444444), wk = 0.0018365 k( 523) = ( 0.4545455 -0.0909091 -0.3333333), wk = 0.0018365 k( 524) = ( 0.4545455 -0.0909091 -0.2222222), wk = 0.0018365 k( 525) = ( 0.4545455 -0.0909091 -0.1111111), wk = 0.0018365 Dense grid: 21805 G-vectors FFT dimensions: ( 40, 40, 40) Smooth grid: 5811 G-vectors FFT dimensions: ( 25, 25, 25) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.01 Mb ( 48, 20) NL pseudopotentials 0.01 Mb ( 24, 34) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.00 Mb ( 605) G-vector shells 0.00 Mb ( 288) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.06 Mb ( 48, 80) Each subspace H/S matrix 0.01 Mb ( 20, 20) Each matrix 0.02 Mb ( 34, 2, 20) Arrays for rho mixing 0.39 Mb ( 3200, 8) Initial potential from superposition of free atoms starting charge 11.99992, renormalised to 12.00000 Starting wfc are 18 randomized atomic wfcs + 2 random wfc total cpu time spent up to now is 3.5 secs per-process dynamical memory: 19.1 Mb Self-consistent Calculation iteration # 1 ecut= 43.00 Ry beta=0.70 Davidson diagonalization with overlap ethr = 1.00E-02, avg # of iterations = 5.5 Threshold (ethr) on eigenvalues was too large: Diagonalizing with lowered threshold Davidson diagonalization with overlap ethr = 1.05E-04, avg # of iterations = 4.3 total cpu time spent up to now is 30.8 secs total energy = -99.65660448 Ry Harris-Foulkes estimate = -99.66337443 Ry estimated scf accuracy < 0.01253271 Ry iteration # 2 ecut= 43.00 Ry beta=0.70 Davidson diagonalization with overlap ethr = 1.04E-04, avg # of iterations = 2.1 total cpu time spent up to now is 39.5 secs total energy = -99.65956988 Ry Harris-Foulkes estimate = -99.66072507 Ry estimated scf accuracy < 0.00183550 Ry iteration # 3 ecut= 43.00 Ry beta=0.70 Davidson diagonalization with overlap ethr = 1.53E-05, avg # of iterations = 2.3 total cpu time spent up to now is 48.5 secs total energy = -99.66014799 Ry Harris-Foulkes estimate = -99.66014472 Ry estimated scf accuracy < 0.00008681 Ry iteration # 4 ecut= 43.00 Ry beta=0.70 Davidson diagonalization with overlap ethr = 7.23E-07, avg # of iterations = 3.7 total cpu time spent up to now is 60.9 secs total energy = -99.66018049 Ry Harris-Foulkes estimate = -99.66018384 Ry estimated scf accuracy < 0.00000619 Ry iteration # 5 ecut= 43.00 Ry beta=0.70 Davidson diagonalization with overlap ethr = 5.16E-08, avg # of iterations = 1.9 total cpu time spent up to now is 68.6 secs total energy = -99.66018148 Ry Harris-Foulkes estimate = -99.66018151 Ry estimated scf accuracy < 0.00000010 Ry iteration # 6 ecut= 43.00 Ry beta=0.70 Davidson diagonalization with overlap ethr = 8.45E-10, avg # of iterations = 4.2 total cpu time spent up to now is 82.9 secs total energy = -99.66018181 Ry Harris-Foulkes estimate = -99.66018187 Ry estimated scf accuracy < 0.00000012 Ry iteration # 7 ecut= 43.00 Ry beta=0.70 Davidson diagonalization with overlap ethr = 8.45E-10, avg # of iterations = 1.0 total cpu time spent up to now is 89.3 secs total energy = -99.66018181 Ry Harris-Foulkes estimate = -99.66018182 Ry estimated scf accuracy < 0.00000001 Ry iteration # 8 ecut= 43.00 Ry beta=0.70 Davidson diagonalization with overlap ethr = 9.24E-11, avg # of iterations = 3.0 total cpu time spent up to now is 100.4 secs End of self-consistent calculation k = 0.0000 0.0000 0.0000 ( 709 PWs) bands (ev): 2.8703 2.8703 4.1155 4.1155 4.2003 4.2003 6.0936 6.0936 6.1960 6.1960 6.8807 6.8807 22.6080 22.6080 23.9607 23.9607 28.6233 28.6233 30.0601 30.0601 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.0000 0.1242 ( 717 PWs) bands (ev): 3.0692 3.0692 4.1654 4.1654 4.2553 4.2553 6.1080 6.1080 6.2203 6.2203 6.8604 6.8604 21.1214 21.1214 23.7865 23.7865 29.1461 29.1461 30.4028 30.4028 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.0000 0.2485 ( 721 PWs) bands (ev): 3.3802 3.3802 4.2198 4.2198 4.7507 4.7507 6.1032 6.1032 6.3341 6.3341 6.8683 6.8683 17.7966 17.7966 24.6840 24.6840 28.8359 28.8359 29.4386 29.4386 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.0000 0.3727 ( 723 PWs) bands (ev): 3.4457 3.4457 4.2632 4.2632 5.6466 5.6466 6.0928 6.0928 6.7637 6.7637 7.0696 7.0696 14.4044 14.4044 25.9627 25.9627 28.0845 28.0845 28.7838 28.7839 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.0000 0.4969 ( 724 PWs) bands (ev): 3.4221 3.4221 4.2879 4.2879 5.8875 5.8875 6.0916 6.0916 7.0717 7.0717 8.7111 8.7111 11.3189 11.3189 26.7212 26.7212 27.5078 27.5078 28.4806 28.4806 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.1136 0.0508 ( 727 PWs) bands (ev): 3.1709 3.1709 4.1578 4.1578 4.2504 4.2504 6.0814 6.0814 6.1665 6.1665 6.8239 6.8239 22.4895 22.4895 23.8275 23.8275 29.0935 29.0935 29.6811 29.6811 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.1136 0.1750 ( 724 PWs) bands (ev): 3.4748 3.4748 4.2225 4.2225 4.3879 4.3879 6.0836 6.0836 6.2582 6.2582 6.8172 6.8172 20.0354 20.0354 23.8361 23.8361 28.4091 28.4091 29.3384 29.3384 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.1136 0.2993 ( 723 PWs) bands (ev): 3.6439 3.6439 4.2692 4.2692 5.0906 5.0906 6.0688 6.0688 6.4276 6.4276 6.9906 6.9906 16.5976 16.5976 24.8452 24.8452 27.3156 27.3156 28.4836 28.4836 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.1136 0.4235 ( 729 PWs) bands (ev): 3.6230 3.6230 4.3018 4.3018 5.7374 5.7374 6.0782 6.0782 6.6998 6.6998 7.8996 7.8996 13.3349 13.3349 25.7425 25.7425 26.8362 26.8362 27.7989 27.7989 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.1136 0.5477 ( 724 PWs) bands (ev): 3.5965 3.5965 4.3147 4.3147 5.8460 5.8460 6.0836 6.0836 6.8621 6.8621 9.8284 9.8284 10.6193 10.6193 25.6935 25.6935 27.0537 27.0537 28.0180 28.0180 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.1136-0.4461 ( 727 PWs) bands (ev): 3.6158 3.6158 4.3058 4.3058 5.7802 5.7802 6.0803 6.0803 6.7484 6.7484 8.1999 8.1999 12.7827 12.7827 25.7690 25.7690 26.8903 26.8903 27.7588 27.7588 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.1136-0.3219 ( 726 PWs) bands (ev): 3.6465 3.6465 4.2762 4.2762 5.2524 5.2524 6.0687 6.0687 6.4659 6.4659 7.0753 7.0753 15.9815 15.9815 25.0561 25.0561 27.1550 27.1550 28.3230 28.3230 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.1136-0.1976 ( 724 PWs) bands (ev): 3.5296 3.5296 4.2326 4.2326 4.4682 4.4682 6.0804 6.0804 6.2865 6.2865 6.8254 6.8254 19.4189 19.4189 23.9832 23.9832 28.1938 28.1938 29.2090 29.2090 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.1136-0.0734 ( 728 PWs) bands (ev): 3.2092 3.2092 4.1657 4.1657 4.2562 4.2562 6.0845 6.0845 6.1734 6.1734 6.8211 6.8211 22.2783 22.2783 23.6737 23.6737 29.1946 29.1946 29.5812 29.5812 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.2273 0.1016 ( 723 PWs) bands (ev): 3.9529 3.9529 4.2286 4.2286 4.4180 4.4180 6.1046 6.1046 6.1607 6.1607 6.7263 6.7263 22.0110 22.0110 23.4248 23.4248 26.3170 26.3170 29.0068 29.0068 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.2273 0.2259 ( 727 PWs) bands (ev): 4.0811 4.0811 4.2771 4.2771 4.7814 4.7814 6.0929 6.0929 6.3513 6.3513 6.8753 6.8753 19.1737 19.1737 23.2587 23.2587 25.0227 25.0227 28.0860 28.0860 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.2273 0.3501 ( 727 PWs) bands (ev): 4.0633 4.0633 4.3168 4.3168 5.3686 5.3686 6.0990 6.0990 6.4219 6.4219 7.6654 7.6654 15.8439 15.8439 23.1382 23.1382 24.9156 24.9156 27.3235 27.3235 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.2273 0.4743 ( 728 PWs) bands (ev): 4.0262 4.0262 4.3364 4.3364 5.6670 5.6670 6.1410 6.1410 6.4823 6.4823 9.1978 9.1978 12.9159 12.9159 22.6073 22.6073 25.7565 25.7565 27.1419 27.1419 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.2273 0.5985 ( 731 PWs) bands (ev): 4.0188 4.0188 4.3395 4.3395 5.6990 5.6990 6.1478 6.1478 6.5056 6.5056 9.8132 9.8132 12.0887 12.0887 22.5070 22.5070 25.9478 25.9478 27.3331 27.3331 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.2273-0.3953 ( 727 PWs) bands (ev): 4.0486 4.0486 4.3258 4.3258 5.5215 5.5215 6.1149 6.1149 6.4366 6.4366 8.1498 8.1498 14.7126 14.7126 22.9235 22.9235 25.2083 25.2083 27.1670 27.1670 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.2273-0.2710 ( 730 PWs) bands (ev): 4.0823 4.0823 4.2947 4.2947 5.0016 5.0016 6.0885 6.0885 6.3948 6.3948 7.0686 7.0686 17.9402 17.9402 23.3322 23.3322 24.7808 24.7808 27.7602 27.7602 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.2273-0.1468 ( 724 PWs) bands (ev): 4.0231 4.0231 4.2412 4.2412 4.4973 4.4973 6.1076 6.1076 6.2190 6.2190 6.7438 6.7438 21.2266 21.2266 23.1397 23.1397 25.7821 25.7821 28.7533 28.7533 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.2273-0.0226 ( 724 PWs) bands (ev): 3.8602 3.8602 4.2229 4.2229 4.3669 4.3669 6.0606 6.0606 6.1486 6.1486 6.7204 6.7204 22.2864 22.2864 24.5458 24.5458 27.2704 27.2704 28.0954 28.0954 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.3409 0.1525 ( 730 PWs) bands (ev): 4.1198 4.1198 4.2132 4.2132 5.4629 5.4629 6.1502 6.1502 6.5398 6.5398 6.7777 6.7777 20.6365 20.6365 22.4392 22.4392 23.3732 23.3732 27.5058 27.5058 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.3409 0.2767 ( 724 PWs) bands (ev): 4.1283 4.1283 4.2220 4.2220 5.7140 5.7140 6.1198 6.1198 6.6404 6.6404 7.5428 7.5428 18.3580 18.3580 20.7358 20.7358 23.1016 23.1016 27.1892 27.1892 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.3409 0.4009 ( 724 PWs) bands (ev): 4.1747 4.1747 4.3018 4.3018 5.7851 5.7851 6.0854 6.0854 6.5968 6.5968 9.0057 9.0057 15.5849 15.5849 19.5832 19.5832 23.6401 23.6401 26.9553 26.9553 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.3409 0.5251 ( 726 PWs) bands (ev): 4.1954 4.1954 4.3736 4.3736 5.8037 5.8037 6.0758 6.0758 6.5675 6.5675 10.4942 10.4942 13.4837 13.4837 19.0500 19.0500 24.1439 24.1439 27.1867 27.1867 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.3409 0.6494 ( 726 PWs) bands (ev): 4.1891 4.1891 4.3502 4.3502 5.7987 5.7987 6.0778 6.0778 6.5768 6.5768 9.8939 9.8939 14.2659 14.2659 19.2099 19.2099 23.9679 23.9679 27.0265 27.0265 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.3409-0.3444 ( 728 PWs) bands (ev): 4.1566 4.1566 4.2579 4.2579 5.7637 5.7637 6.0979 6.0979 6.6178 6.6178 8.2924 8.2924 16.8218 16.8218 20.0337 20.0337 23.3587 23.3587 27.0105 27.0105 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.3409-0.2202 ( 724 PWs) bands (ev): 4.1121 4.1121 4.2100 4.2100 5.6345 5.6345 6.1390 6.1390 6.6424 6.6424 7.0570 7.0570 19.5566 19.5566 21.4699 21.4699 23.0315 23.0315 27.4054 27.4054 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.3409-0.0960 ( 727 PWs) bands (ev): 4.1413 4.1413 4.2366 4.2366 5.2714 5.2714 6.1399 6.1399 6.4249 6.4249 6.7479 6.7479 21.1194 21.1194 23.0400 23.0400 24.1886 24.1886 27.0271 27.0271 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.3409 0.0282 ( 725 PWs) bands (ev): 4.1561 4.1561 4.2827 4.2827 5.0952 5.0952 6.1216 6.1216 6.3797 6.3797 6.7439 6.7439 21.3290 21.3290 23.6290 23.6290 24.6960 24.6960 27.0105 27.0105 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.4545 0.2033 ( 728 PWs) bands (ev): 3.9575 3.9575 4.1117 4.1117 5.9368 5.9368 6.4310 6.4310 7.0384 7.0384 8.1566 8.1566 17.5122 17.5122 21.1475 21.1475 22.3373 22.3373 26.5068 26.5068 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.4545 0.3275 ( 726 PWs) bands (ev): 3.9765 3.9765 4.1237 4.1237 5.9433 5.9433 6.4260 6.4260 7.0197 7.0197 9.3789 9.3789 16.2322 16.2322 19.0983 19.0983 22.0788 22.0788 26.8272 26.8272 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.4545 0.4517 ( 724 PWs) bands (ev): 4.0403 4.0403 4.2571 4.2571 5.8924 5.8924 6.2998 6.2998 6.9006 6.9006 10.9854 10.9854 15.3650 15.3650 16.7640 16.7640 22.4530 22.4530 26.9112 26.9112 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.4545 0.5760 ( 727 PWs) bands (ev): 4.0569 4.0569 4.3377 4.3377 5.8719 5.8719 6.2250 6.2250 6.8646 6.8646 11.7748 11.7748 15.0503 15.0503 15.8476 15.8476 22.6407 22.6407 27.0192 27.0192 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.4545 0.7002 ( 723 PWs) bands (ev): 4.0275 4.0275 4.2124 4.2124 5.9060 5.9060 6.3404 6.3404 6.9276 6.9276 10.5525 10.5525 15.5531 15.5531 17.3363 17.3363 22.3423 22.3423 26.8763 26.8763 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.4545-0.2936 ( 728 PWs) bands (ev): 3.9589 3.9589 4.1094 4.1094 5.9523 5.9523 6.4419 6.4419 7.0493 7.0493 8.9775 8.9775 16.5483 16.5483 19.7782 19.7782 22.0318 22.0318 26.8019 26.8019 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.4545-0.1694 ( 724 PWs) bands (ev): 3.9744 3.9744 4.1285 4.1285 5.9044 5.9044 6.4057 6.4057 6.9846 6.9846 7.9815 7.9815 17.8996 17.8996 21.3341 21.3341 22.6210 22.6210 26.4159 26.4159 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.4545-0.0452 ( 723 PWs) bands (ev): 4.0276 4.0276 4.2686 4.2686 5.6435 5.6435 6.3011 6.3011 6.7987 6.7987 7.7882 7.7882 19.1264 19.1264 21.5444 21.5444 22.4693 22.4693 27.7842 27.7842 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.4545 0.0791 ( 723 PWs) bands (ev): 4.0194 4.0194 4.2276 4.2276 5.7180 5.7180 6.3201 6.3201 6.8280 6.8280 7.8033 7.8033 18.8672 18.8672 21.5074 21.5074 22.6491 22.6491 27.2853 27.2853 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.5682 0.2541 ( 727 PWs) bands (ev): 3.8299 3.8299 4.0227 4.0227 5.9266 5.9266 6.6945 6.6945 7.2925 7.2925 10.6460 10.6460 14.1576 14.1576 20.4836 20.4836 21.8006 21.8006 26.1213 26.1213 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.5682 0.3783 ( 725 PWs) bands (ev): 3.8751 3.8751 4.0710 4.0710 5.8938 5.8938 6.6310 6.6310 7.2138 7.2138 11.8492 11.8492 13.3115 13.3115 19.2933 19.2933 21.4908 21.4908 26.7410 26.7410 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.5682 0.5026 ( 722 PWs) bands (ev): 3.9325 3.9325 4.2347 4.2347 5.8096 5.8096 6.4271 6.4271 7.1017 7.1017 12.6320 12.6320 13.5483 13.5483 17.5238 17.5238 21.6523 21.6523 27.0050 27.0050 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.2673 0.2673 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.5682 0.6268 ( 721 PWs) bands (ev): 3.9298 3.9298 4.2216 4.2216 5.8164 5.8164 6.4418 6.4418 7.1069 7.1069 12.6265 12.6265 13.4696 13.4696 17.6459 17.6459 21.6383 21.6383 26.9898 26.9898 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.3520 0.3520 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.5682 0.7510 ( 725 PWs) bands (ev): 3.8676 3.8676 4.0604 4.0604 5.8999 5.8999 6.6460 6.6460 7.2280 7.2280 11.7245 11.7245 13.3622 13.3622 19.4610 19.4610 21.4893 21.4893 26.6988 26.6988 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.5682-0.2428 ( 728 PWs) bands (ev): 3.8324 3.8324 4.0249 4.0249 5.9252 5.9252 6.6888 6.6888 7.2856 7.2856 10.5663 10.5663 14.2609 14.2609 20.5094 20.5094 21.8284 21.8284 26.1120 26.1120 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.5682-0.1186 ( 720 PWs) bands (ev): 3.9009 3.9009 4.1322 4.1322 5.8422 5.8422 6.5041 6.5041 7.1305 7.1305 10.0547 10.0547 15.5596 15.5596 20.1371 20.1371 21.5662 21.5662 26.9706 26.9706 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.5682 0.0056 ( 721 PWs) bands (ev): 3.9302 3.9302 4.2580 4.2580 5.7282 5.7282 6.3667 6.3667 7.0691 7.0691 9.9553 9.9553 16.3845 16.3845 19.4007 19.4007 21.4948 21.4948 27.3812 27.3812 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.5682 0.1299 ( 720 PWs) bands (ev): 3.8949 3.8949 4.1161 4.1161 5.8552 5.8552 6.5267 6.5267 7.1435 7.1435 10.0783 10.0783 15.4377 15.4377 20.2220 20.2220 21.5927 21.5927 26.8872 26.8872 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.0682 0.0508 ( 727 PWs) bands (ev): 3.1709 3.1709 4.1578 4.1578 4.2504 4.2504 6.0814 6.0814 6.1665 6.1665 6.8239 6.8239 22.4895 22.4895 23.8275 23.8275 29.0935 29.0935 29.6811 29.6811 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.0682 0.1750 ( 724 PWs) bands (ev): 3.4748 3.4748 4.2225 4.2225 4.3879 4.3879 6.0836 6.0836 6.2582 6.2582 6.8172 6.8172 20.0354 20.0354 23.8361 23.8361 28.4091 28.4091 29.3384 29.3384 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.0682 0.2993 ( 723 PWs) bands (ev): 3.6439 3.6439 4.2692 4.2692 5.0906 5.0906 6.0688 6.0688 6.4276 6.4276 6.9906 6.9906 16.5976 16.5976 24.8452 24.8452 27.3156 27.3156 28.4836 28.4836 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.0682 0.4235 ( 729 PWs) bands (ev): 3.6230 3.6230 4.3018 4.3018 5.7374 5.7374 6.0782 6.0782 6.6998 6.6998 7.8996 7.8996 13.3349 13.3349 25.7425 25.7425 26.8362 26.8362 27.7989 27.7989 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.0682 0.5477 ( 724 PWs) bands (ev): 3.5965 3.5965 4.3147 4.3147 5.8460 5.8460 6.0836 6.0836 6.8621 6.8621 9.8284 9.8284 10.6193 10.6193 25.6935 25.6935 27.0537 27.0537 28.0180 28.0180 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.0682-0.4461 ( 727 PWs) bands (ev): 3.6158 3.6158 4.3058 4.3058 5.7802 5.7802 6.0803 6.0803 6.7484 6.7484 8.1999 8.1999 12.7827 12.7827 25.7690 25.7690 26.8903 26.8903 27.7588 27.7588 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.0682-0.3219 ( 726 PWs) bands (ev): 3.6465 3.6465 4.2762 4.2762 5.2524 5.2524 6.0687 6.0687 6.4659 6.4659 7.0753 7.0753 15.9815 15.9815 25.0561 25.0561 27.1550 27.1550 28.3230 28.3230 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.0682-0.1976 ( 724 PWs) bands (ev): 3.5296 3.5296 4.2326 4.2326 4.4682 4.4682 6.0804 6.0804 6.2865 6.2865 6.8254 6.8254 19.4189 19.4189 23.9832 23.9832 28.1938 28.1938 29.2090 29.2090 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.0682-0.0734 ( 728 PWs) bands (ev): 3.2092 3.2092 4.1657 4.1657 4.2562 4.2562 6.0845 6.0845 6.1734 6.1734 6.8211 6.8211 22.2783 22.2783 23.6737 23.6737 29.1946 29.1946 29.5812 29.5812 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.1818 0.1016 ( 722 PWs) bands (ev): 3.8557 3.8557 4.2238 4.2238 4.3631 4.3631 6.0656 6.0656 6.1410 6.1410 6.7196 6.7196 22.2889 22.2889 24.6419 24.6419 27.3923 27.3923 27.9727 27.9727 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.1818 0.2259 ( 723 PWs) bands (ev): 4.0469 4.0469 4.2847 4.2847 4.6773 4.6773 6.0343 6.0343 6.3368 6.3368 6.8660 6.8660 19.0251 19.0251 24.6991 24.6991 26.3052 26.3052 26.8745 26.8745 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.1818 0.3501 ( 730 PWs) bands (ev): 4.0366 4.0366 4.3190 4.3190 5.3472 5.3472 6.0112 6.0112 6.4158 6.4158 7.6040 7.6040 15.6646 15.6646 24.1880 24.1880 25.5884 25.5884 27.3070 27.3070 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.1818 0.4743 ( 731 PWs) bands (ev): 3.9993 3.9993 4.3343 4.3343 5.7366 5.7366 6.0282 6.0282 6.4755 6.4755 9.0935 9.0935 12.7185 12.7185 23.5927 23.5927 25.1659 25.1659 28.4628 28.4629 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0006 0.0006 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.1818 0.5985 ( 730 PWs) bands (ev): 3.9918 3.9918 4.3367 4.3367 5.7798 5.7798 6.0344 6.0344 6.4984 6.4984 9.7175 9.7175 11.8736 11.8736 23.4874 23.4874 25.1004 25.1004 28.6521 28.6521 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.1818-0.3953 ( 731 PWs) bands (ev): 4.0219 4.0219 4.3260 4.3260 5.5415 5.5415 6.0141 6.0141 6.4313 6.4313 8.0663 8.0663 14.5278 14.5278 23.9339 23.9339 25.3945 25.3945 27.7398 27.7398 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.1818-0.2710 ( 723 PWs) bands (ev): 4.0534 4.0534 4.3010 4.3010 4.9165 4.9165 6.0215 6.0215 6.3834 6.3834 7.0457 7.0457 17.7752 17.7752 24.5967 24.5967 26.0203 26.0203 26.8330 26.8330 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.1818-0.1468 ( 725 PWs) bands (ev): 3.9534 3.9534 4.2408 4.2408 4.4154 4.4154 6.0599 6.0599 6.2040 6.2040 6.7390 6.7390 21.1897 21.1897 24.6410 24.6410 26.9411 26.9411 27.4728 27.4728 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.1818-0.0226 ( 727 PWs) bands (ev): 3.7408 3.7408 4.2168 4.2168 4.3325 4.3325 6.0380 6.0380 6.1156 6.1156 6.7112 6.7112 23.3305 23.3305 25.0276 25.0276 28.0343 28.0343 28.6668 28.6668 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.2954 0.1525 ( 729 PWs) bands (ev): 4.1440 4.1440 4.2787 4.2787 5.1407 5.1407 6.1264 6.1264 6.3878 6.3878 6.7406 6.7406 21.2868 21.2868 23.4620 23.4620 24.6485 24.6485 26.9151 26.9151 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.2954 0.2767 ( 723 PWs) bands (ev): 4.1508 4.1508 4.2895 4.2895 5.4420 5.4420 6.1891 6.1891 6.4537 6.4537 7.4215 7.4215 18.2284 18.2284 21.8939 21.8939 23.7405 23.7405 27.4270 27.4270 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.2954 0.4009 ( 726 PWs) bands (ev): 4.2273 4.2273 4.3131 4.3131 5.6386 5.6386 6.1349 6.1349 6.4492 6.4492 8.7932 8.7932 15.2643 15.2643 20.8296 20.8296 23.2033 23.2033 28.3183 28.3183 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.2954 0.5251 ( 722 PWs) bands (ev): 4.2628 4.2628 4.3455 4.3455 5.7356 5.7356 6.1207 6.1207 6.4249 6.4249 10.2668 10.2668 13.0882 13.0882 20.3236 20.3236 22.9881 22.9881 29.1717 29.1717 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.2954 0.6494 ( 725 PWs) bands (ev): 4.2536 4.2536 4.3333 4.3333 5.7065 5.7065 6.1230 6.1230 6.4334 6.4334 9.6614 9.6614 13.9010 13.9010 20.4757 20.4757 23.0500 23.0500 28.8384 28.8384 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.2954-0.3444 ( 726 PWs) bands (ev): 4.1929 4.1929 4.2998 4.2998 5.5593 5.5593 6.1557 6.1557 6.4597 6.4597 8.1132 8.1132 16.5592 16.5592 21.2525 21.2525 23.4035 23.4035 27.8847 27.8847 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.2954-0.2202 ( 729 PWs) bands (ev): 4.1314 4.1314 4.2836 4.2836 5.3223 5.3223 6.2051 6.2051 6.4184 6.4184 7.0014 7.0014 19.6602 19.6602 22.5339 22.5339 24.1072 24.1072 27.1309 27.1309 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.2954-0.0960 ( 726 PWs) bands (ev): 4.1875 4.1875 4.2769 4.2769 4.9668 4.9668 6.0094 6.0094 6.4140 6.4140 6.6542 6.6542 22.3452 22.3452 24.4099 24.4099 25.1776 25.1776 26.8563 26.8563 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.2954 0.0282 ( 726 PWs) bands (ev): 4.2437 4.2437 4.2849 4.2849 4.8045 4.8045 5.9316 5.9316 6.4501 6.4501 6.6060 6.6060 23.0090 23.0090 25.3591 25.3591 25.8541 25.8541 26.7493 26.7493 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.4091 0.2033 ( 724 PWs) bands (ev): 4.0041 4.0041 4.2039 4.2039 5.7786 5.7786 6.3405 6.3405 6.8539 6.8539 7.8209 7.8209 18.6464 18.6464 21.4787 21.4787 22.7514 22.7514 26.9320 26.9320 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.4091 0.3275 ( 720 PWs) bands (ev): 4.0244 4.0244 4.2005 4.2005 5.8010 5.8010 6.3610 6.3610 6.8970 6.8970 9.0000 9.0000 17.0351 17.0351 19.1205 19.1205 21.7950 21.7950 27.9093 27.9093 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.4091 0.4517 ( 723 PWs) bands (ev): 4.1201 4.1201 4.2794 4.2794 5.7687 5.7687 6.3245 6.3245 6.7651 6.7651 10.5619 10.5619 15.4296 15.4296 17.4331 17.4331 21.3820 21.3820 28.7108 28.7108 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.4091 0.5760 ( 725 PWs) bands (ev): 4.1397 4.1397 4.3468 4.3468 5.7423 5.7423 6.3059 6.3059 6.7146 6.7146 11.3371 11.3371 14.6142 14.6142 17.0009 17.0009 21.2873 21.2873 29.1778 29.1778 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.4091 0.7002 ( 721 PWs) bands (ev): 4.1014 4.1014 4.2468 4.2468 5.7814 5.7814 6.3355 6.3355 6.7990 6.7990 10.1411 10.1411 15.8652 15.8652 17.7697 17.7697 21.4574 21.4574 28.4861 28.4861 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.4091-0.2936 ( 718 PWs) bands (ev): 4.0017 4.0017 4.1963 4.1963 5.8008 5.8008 6.3651 6.3651 6.9212 6.9212 8.6079 8.6079 17.4682 17.4682 19.7522 19.7522 21.9852 21.9852 27.6954 27.6954 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.4091-0.1694 ( 723 PWs) bands (ev): 4.0307 4.0307 4.2129 4.2129 5.7594 5.7594 6.3045 6.3045 6.7580 6.7580 7.6716 7.6716 19.0954 19.0954 22.0149 22.0149 23.1672 23.1672 26.5550 26.5550 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.4091-0.0452 ( 719 PWs) bands (ev): 4.1445 4.1445 4.2979 4.2979 5.5907 5.5907 6.0574 6.0574 6.5288 6.5288 7.5386 7.5386 20.5313 20.5313 22.9672 22.9672 24.0159 24.0159 26.2518 26.2518 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.4091 0.0791 ( 719 PWs) bands (ev): 4.1246 4.1246 4.2672 4.2672 5.6477 5.6477 6.1111 6.1111 6.5543 6.5543 7.5464 7.5464 20.2176 20.2176 22.8772 22.8772 23.9774 23.9774 26.1715 26.1715 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.5227 0.2541 ( 722 PWs) bands (ev): 3.8766 3.8766 4.0914 4.0914 5.8795 5.8795 6.5752 6.5752 7.1685 7.1685 10.1359 10.1359 15.1900 15.1900 20.3654 20.3654 21.6608 21.6608 26.6947 26.6947 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.5227 0.3783 ( 723 PWs) bands (ev): 3.9254 3.9254 4.1122 4.1122 5.8601 5.8601 6.5375 6.5375 7.1502 7.1502 11.4432 11.4432 14.1799 14.1799 18.7784 18.7784 20.4650 20.4650 28.2925 28.2925 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.5227 0.5026 ( 723 PWs) bands (ev): 3.9938 3.9938 4.2432 4.2432 5.7581 5.7581 6.4445 6.4445 7.0310 7.0310 12.8651 12.8651 13.7642 13.7642 16.9118 16.9118 20.0721 20.0721 28.9907 28.9907 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.5227 0.6268 ( 723 PWs) bands (ev): 3.9910 3.9910 4.2316 4.2316 5.7670 5.7670 6.4509 6.4509 7.0375 7.0375 12.7710 12.7710 13.7718 13.7718 17.0413 17.0413 20.0877 20.0877 28.9432 28.9432 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.5227 0.7510 ( 725 PWs) bands (ev): 3.9164 3.9164 4.1055 4.1055 5.8661 5.8661 6.5450 6.5450 7.1624 7.1624 11.3043 11.3043 14.2494 14.2494 18.9597 18.9597 20.5343 20.5343 28.2031 28.2031 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.5227-0.2428 ( 722 PWs) bands (ev): 3.8806 3.8806 4.0940 4.0940 5.8767 5.8767 6.5731 6.5731 7.1511 7.1511 10.0500 10.0500 15.3061 15.3061 20.4653 20.4653 21.7817 21.7817 26.5693 26.5693 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.5227-0.1186 ( 722 PWs) bands (ev): 3.9880 3.9880 4.1810 4.1810 5.8078 5.8078 6.4480 6.4480 6.8346 6.8346 9.5062 9.5062 16.7345 16.7345 21.0364 21.0364 22.3178 22.3178 26.1779 26.1779 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.5227 0.0056 ( 716 PWs) bands (ev): 4.0373 4.0373 4.2957 4.2957 5.7312 5.7312 6.2760 6.2760 6.7309 6.7309 9.4061 9.4061 17.6446 17.6446 20.4522 20.4522 22.7865 22.7865 25.5879 25.5879 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.5227 0.1299 ( 722 PWs) bands (ev): 3.9778 3.9778 4.1677 4.1677 5.8167 5.8167 6.4694 6.4694 6.8599 6.8599 9.5306 9.5306 16.6015 16.6015 21.0605 21.0605 22.2853 22.2853 26.2138 26.2138 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.6363 0.3049 ( 722 PWs) bands (ev): 3.8578 3.8578 4.0536 4.0536 5.9059 5.9059 6.6605 6.6605 7.2401 7.2401 11.6006 11.6006 13.4195 13.4195 19.6244 19.6244 21.4920 21.4920 26.6499 26.6499 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.6363 0.4291 ( 720 PWs) bands (ev): 3.9242 3.9242 4.1217 4.1217 5.8454 5.8454 6.5182 6.5182 7.1554 7.1554 11.1094 11.1094 14.5552 14.5552 19.0400 19.0400 20.3526 20.3526 28.5612 28.5612 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.6363 0.5534 ( 719 PWs) bands (ev): 3.9595 3.9595 4.2469 4.2469 5.7069 5.7069 6.4216 6.4216 7.0979 7.0979 10.9686 10.9686 15.4356 15.4356 18.5624 18.5624 19.5799 19.5799 29.2921 29.2921 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.6363 0.6776 ( 718 PWs) bands (ev): 3.9305 3.9305 4.1354 4.1354 5.8310 5.8310 6.5032 6.5032 7.1461 7.1461 11.0842 11.0842 14.6694 14.6694 18.9904 18.9904 20.2299 20.2299 28.7712 28.7712 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.6363 0.8018 ( 723 PWs) bands (ev): 3.8598 3.8598 4.0541 4.0541 5.9072 5.9072 6.6531 6.6531 7.2392 7.2392 11.5410 11.5410 13.4998 13.4998 19.5647 19.5647 21.4499 21.4499 26.7261 26.7261 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.6363-0.1920 ( 719 PWs) bands (ev): 3.9094 3.9094 4.0967 4.0967 5.8517 5.8517 6.6440 6.6440 7.1179 7.1179 12.0088 12.0088 13.3081 13.3081 19.9732 19.9732 21.1704 21.1704 26.8607 26.8607 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.6363-0.0678 ( 721 PWs) bands (ev): 3.9964 3.9964 4.2483 4.2483 5.7803 5.7803 6.4222 6.4222 6.9553 6.9553 11.8529 11.8529 14.5021 14.5021 18.5665 18.5665 21.9585 21.9585 25.5747 25.5747 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.6363 0.0565 ( 721 PWs) bands (ev): 4.0003 4.0003 4.2609 4.2609 5.7765 5.7765 6.4026 6.4026 6.9493 6.9493 11.8421 11.8421 14.6001 14.6001 18.4492 18.4492 22.0403 22.0403 25.4605 25.4605 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.6363 0.1807 ( 718 PWs) bands (ev): 3.9193 3.9193 4.1066 4.1066 5.8442 5.8442 6.6317 6.6317 7.0976 7.0976 12.0050 12.0050 13.3874 13.3874 19.9069 19.9069 21.1782 21.1782 26.8274 26.8274 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.5000-0.2033 ( 726 PWs) bands (ev): 3.9637 3.9637 4.1132 4.1132 5.9495 5.9495 6.4368 6.4368 7.0392 7.0392 9.1098 9.1098 16.4413 16.4413 19.5554 19.5554 22.0411 22.0411 26.8111 26.8111 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.5000-0.0791 ( 720 PWs) bands (ev): 4.0221 4.0221 4.2190 4.2190 5.7421 5.7421 6.3558 6.3558 6.8968 6.8968 8.7044 8.7044 17.4648 17.4648 19.6127 19.6127 21.7139 21.7139 28.2303 28.2303 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.5000 0.0452 ( 719 PWs) bands (ev): 4.0293 4.0293 4.2569 4.2569 5.6709 5.6709 6.3518 6.3518 6.8763 6.8763 8.6722 8.6722 17.6057 17.6057 19.7602 19.7602 21.4179 21.4179 28.9728 28.9728 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.5000 0.1694 ( 724 PWs) bands (ev): 3.9803 3.9803 4.1273 4.1273 5.9255 5.9255 6.4059 6.4059 6.9972 6.9972 8.9377 8.9377 16.7664 16.7664 19.4907 19.4907 22.2103 22.2103 26.8560 26.8560 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.5000 0.2936 ( 729 PWs) bands (ev): 3.9639 3.9639 4.1190 4.1190 5.9218 5.9218 6.4812 6.4812 7.0826 7.0826 9.8592 9.8592 15.5952 15.5952 19.7285 19.7285 20.9320 20.9320 27.7005 27.7005 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.5000-0.7002 ( 724 PWs) bands (ev): 4.0418 4.0418 4.2212 4.2212 5.8323 5.8323 6.3954 6.3954 6.9853 6.9853 11.3902 11.3902 14.7559 14.7559 17.8656 17.8656 21.4162 21.4162 26.7044 26.7044 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.5000-0.5760 ( 728 PWs) bands (ev): 4.0846 4.0846 4.3351 4.3351 5.8070 5.8070 6.2551 6.2551 6.9169 6.9169 12.6121 12.6121 14.5743 14.5743 16.1184 16.1184 22.4864 22.4864 25.1077 25.1077 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.6103 0.6103 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.5000-0.4517 ( 722 PWs) bands (ev): 4.0597 4.0597 4.2621 4.2621 5.8176 5.8176 6.3495 6.3495 6.9568 6.9568 11.8254 11.8254 14.6322 14.6322 17.2559 17.2559 21.7570 21.7570 26.1426 26.1426 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.5000-0.3275 ( 726 PWs) bands (ev): 3.9818 3.9818 4.1356 4.1356 5.8963 5.8963 6.4746 6.4746 7.0666 7.0666 10.2376 10.2376 15.3172 15.3172 19.4530 19.4530 20.7891 20.7891 27.8723 27.8723 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.3864-0.1525 ( 724 PWs) bands (ev): 4.1220 4.1220 4.2129 4.2129 5.6869 5.6869 6.1263 6.1263 6.6391 6.6391 7.3376 7.3376 18.8607 18.8607 21.0096 21.0096 23.0526 23.0526 27.2688 27.2688 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.3864-0.0282 ( 725 PWs) bands (ev): 4.1514 4.1514 4.2903 4.2903 5.3535 5.3535 6.2108 6.2108 6.4181 6.4181 7.2380 7.2380 18.7951 18.7951 22.3289 22.3289 23.7921 23.7921 27.5677 27.5677 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.3864 0.0960 ( 726 PWs) bands (ev): 4.1402 4.1402 4.2432 4.2432 5.5174 5.5174 6.1623 6.1623 6.5111 6.5111 7.2623 7.2623 18.8377 18.8377 21.6437 21.6437 23.8228 23.8228 26.9301 26.9301 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.3864 0.2202 ( 725 PWs) bands (ev): 4.1097 4.1097 4.2065 4.2065 5.7908 5.7908 6.1248 6.1248 6.7861 6.7861 7.6175 7.6175 18.6862 18.6862 20.3882 20.3882 21.7960 21.7960 28.3203 28.3203 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.3864 0.3444 ( 726 PWs) bands (ev): 4.1413 4.1413 4.2594 4.2594 5.7537 5.7537 6.1659 6.1659 6.8326 6.8326 8.8302 8.8302 17.1611 17.1611 18.9652 18.9652 21.4409 21.4409 28.4814 28.4814 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.3864-0.6494 ( 727 PWs) bands (ev): 4.1833 4.1833 4.3448 4.3448 5.7020 5.7020 6.1829 6.1829 6.7744 6.7744 10.4508 10.4508 14.9322 14.9322 17.9804 17.9804 22.6643 22.6643 26.2361 26.2361 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.3864-0.5251 ( 730 PWs) bands (ev): 4.1940 4.1940 4.3649 4.3649 5.6934 5.6934 6.1881 6.1881 6.7551 6.7551 11.0390 11.0390 14.2065 14.2065 17.8008 17.8008 23.2417 23.2417 25.4488 25.4488 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.3864-0.4009 ( 724 PWs) bands (ev): 4.1621 4.1621 4.3014 4.3014 5.7247 5.7247 6.1747 6.1747 6.8084 6.8084 9.5559 9.5559 16.1304 16.1304 18.4127 18.4127 21.9251 21.9251 27.4789 27.4789 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.3864-0.2767 ( 730 PWs) bands (ev): 4.1182 4.1182 4.2208 4.2208 5.7893 5.7893 6.1467 6.1467 6.8355 6.8355 8.0775 8.0775 18.1821 18.1821 19.8189 19.8189 21.2419 21.2419 28.8215 28.8215 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.2727-0.1016 ( 726 PWs) bands (ev): 4.0742 4.0742 4.2617 4.2617 4.6861 4.6861 6.0898 6.0898 6.3213 6.3213 6.8204 6.8204 19.7908 19.7908 23.2000 23.2000 25.2091 25.2091 28.2657 28.2657 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.2727 0.0226 ( 722 PWs) bands (ev): 4.0359 4.0359 4.2655 4.2655 4.5883 4.5883 6.0361 6.0361 6.3081 6.3081 6.8150 6.8150 19.6635 19.6635 24.6046 24.6046 26.3153 26.3153 27.1305 27.1305 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.2727 0.1468 ( 726 PWs) bands (ev): 4.1014 4.1014 4.2645 4.2645 4.7932 4.7932 6.1392 6.1392 6.3499 6.3499 6.8388 6.8388 19.9077 19.9077 22.0825 22.0825 24.6113 24.6113 29.0352 29.0352 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.2727 0.2710 ( 726 PWs) bands (ev): 4.1158 4.1158 4.3080 4.3080 5.1894 5.1894 6.2190 6.2190 6.5053 6.5053 7.2200 7.2200 18.3886 18.3886 20.8692 20.8692 23.3182 23.3182 29.4565 29.4565 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.2727 0.3953 ( 728 PWs) bands (ev): 4.0781 4.0781 4.3461 4.3461 5.4837 5.4837 6.2989 6.2989 6.5382 6.5382 8.4463 8.4463 15.2384 15.2384 21.2726 21.2726 23.0778 23.0778 28.0822 28.0822 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.2727-0.5985 ( 728 PWs) bands (ev): 4.0492 4.0492 4.3606 4.3606 5.5715 5.5715 6.3858 6.3858 6.5512 6.5512 10.1243 10.1243 12.6907 12.6907 21.0804 21.0804 24.2789 24.2789 26.0225 26.0225 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0048 0.0048 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.2727-0.4743 ( 731 PWs) bands (ev): 4.0563 4.0563 4.3575 4.3575 5.5563 5.5563 6.3632 6.3632 6.5464 6.5464 9.5317 9.5317 13.4761 13.4761 21.1487 21.1487 23.7793 23.7793 26.7048 26.7048 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.2727-0.3501 ( 723 PWs) bands (ev): 4.0931 4.0931 4.3354 4.3354 5.4033 5.4033 6.2628 6.2628 6.5334 6.5334 7.9135 7.9135 16.3527 16.3527 21.2188 21.2188 22.9596 22.9596 28.7345 28.7345 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.2727-0.2259 ( 727 PWs) bands (ev): 4.1212 4.1212 4.2889 4.2889 5.0406 5.0406 6.1993 6.1993 6.4577 6.4577 6.9895 6.9895 19.4704 19.4704 20.7521 20.7521 23.7197 23.7197 29.8207 29.8207 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.1591-0.0508 ( 725 PWs) bands (ev): 3.4111 3.4111 4.2030 4.2030 4.3401 4.3401 6.0794 6.0794 6.2382 6.2382 6.8152 6.8152 20.6354 20.6354 23.7141 23.7141 28.6234 28.6234 29.4475 29.4476 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.1591 0.0734 ( 722 PWs) bands (ev): 3.4451 3.4451 4.2093 4.2093 4.3495 4.3495 6.0885 6.0885 6.2397 6.2397 6.8129 6.8129 20.6719 20.6719 23.2918 23.2918 28.4112 28.4112 29.6717 29.6717 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.1591 0.1976 ( 720 PWs) bands (ev): 3.6901 3.6901 4.2821 4.2821 4.5945 4.5945 6.1444 6.1444 6.3046 6.3046 6.8284 6.8284 19.7260 19.7260 21.5676 21.5676 27.1235 27.1235 30.3417 30.3417 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.1591 0.3219 ( 729 PWs) bands (ev): 3.7295 3.7295 4.3340 4.3340 5.3060 5.3060 6.1816 6.1816 6.4868 6.4868 7.1500 7.1500 16.3508 16.3508 22.5127 22.5127 25.9971 25.9971 29.0693 29.0693 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.1591 0.4461 ( 729 PWs) bands (ev): 3.6754 3.6754 4.3607 4.3607 5.6703 5.6703 6.2209 6.2209 6.7524 6.7524 8.4324 8.4324 13.1578 13.1578 23.7360 23.7360 25.3628 25.3628 27.6418 27.6418 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.1591-0.5477 ( 728 PWs) bands (ev): 3.6512 3.6512 4.3680 4.3680 5.7127 5.7127 6.2261 6.2261 6.8540 6.8540 9.9836 9.9836 11.1060 11.1060 24.1947 24.1947 25.7834 25.7834 26.4161 26.4161 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.1591-0.4235 ( 730 PWs) bands (ev): 3.6849 3.6849 4.3574 4.3574 5.6428 5.6428 6.2174 6.2174 6.7096 6.7096 8.1142 8.1142 13.7076 13.7076 23.5292 23.5292 25.4085 25.4085 27.9311 27.9311 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.1591-0.2993 ( 727 PWs) bands (ev): 3.7353 3.7353 4.3268 4.3268 5.1760 5.1760 6.1721 6.1721 6.4455 6.4455 7.0412 7.0412 16.9656 16.9656 22.3009 22.3009 26.1797 26.1797 29.3074 29.3074 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.1591-0.1750 ( 719 PWs) bands (ev): 3.6552 3.6552 4.2683 4.2683 4.5088 4.5088 6.1377 6.1377 6.2822 6.2822 6.8164 6.8164 20.2539 20.2539 21.5304 21.5304 27.3517 27.3517 30.4946 30.4946 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.0455-0.0000 ( 717 PWs) bands (ev): 3.0077 3.0077 4.1461 4.1461 4.2362 4.2362 6.1012 6.1012 6.2143 6.2143 6.8662 6.8662 21.6253 21.6253 23.7256 23.7256 29.1021 29.1021 30.2953 30.2954 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.0455 0.1242 ( 726 PWs) bands (ev): 3.1970 3.1970 4.1966 4.1966 4.2950 4.2950 6.1215 6.1215 6.2324 6.2324 6.8479 6.8479 21.1586 21.1586 22.4695 22.4695 29.5607 29.5607 30.4656 30.4657 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.0455 0.2485 ( 722 PWs) bands (ev): 3.4632 3.4632 4.2597 4.2597 4.8009 4.8009 6.1207 6.1207 6.3495 6.3495 6.8657 6.8657 17.9881 17.9881 23.0805 23.0805 28.8666 28.8666 29.8121 29.8121 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.0455 0.3727 ( 729 PWs) bands (ev): 3.4952 3.4952 4.3043 4.3043 5.6235 5.6235 6.1249 6.1249 6.7694 6.7694 7.1591 7.1591 14.5954 14.5954 24.3058 24.3058 27.9785 27.9785 28.4313 28.4313 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.0455 0.4969 ( 722 PWs) bands (ev): 3.4610 3.4610 4.3279 4.3279 5.8171 5.8171 6.1369 6.1369 7.0425 7.0425 8.8710 8.8710 11.5115 11.5115 25.5589 25.5589 27.2274 27.2274 27.6955 27.6955 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.1364 0.1016 ( 723 PWs) bands (ev): 3.9529 3.9529 4.2286 4.2286 4.4180 4.4180 6.1046 6.1046 6.1607 6.1607 6.7263 6.7263 22.0110 22.0110 23.4248 23.4248 26.3170 26.3170 29.0068 29.0069 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.1364 0.2259 ( 727 PWs) bands (ev): 4.0811 4.0811 4.2771 4.2771 4.7814 4.7814 6.0929 6.0929 6.3513 6.3513 6.8753 6.8753 19.1737 19.1737 23.2587 23.2587 25.0227 25.0227 28.0860 28.0860 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.1364 0.3501 ( 727 PWs) bands (ev): 4.0633 4.0633 4.3168 4.3168 5.3686 5.3686 6.0990 6.0990 6.4219 6.4219 7.6654 7.6654 15.8439 15.8439 23.1382 23.1382 24.9156 24.9156 27.3235 27.3235 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.1364 0.4743 ( 728 PWs) bands (ev): 4.0262 4.0262 4.3364 4.3364 5.6670 5.6670 6.1410 6.1410 6.4823 6.4823 9.1978 9.1978 12.9159 12.9159 22.6073 22.6073 25.7565 25.7565 27.1419 27.1419 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.1364 0.5985 ( 731 PWs) bands (ev): 4.0188 4.0188 4.3395 4.3395 5.6990 5.6990 6.1478 6.1478 6.5056 6.5056 9.8132 9.8132 12.0887 12.0887 22.5070 22.5070 25.9478 25.9478 27.3331 27.3331 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.1364-0.3953 ( 727 PWs) bands (ev): 4.0486 4.0486 4.3258 4.3258 5.5215 5.5215 6.1149 6.1149 6.4366 6.4366 8.1498 8.1498 14.7126 14.7126 22.9235 22.9235 25.2083 25.2083 27.1670 27.1670 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.1364-0.2710 ( 730 PWs) bands (ev): 4.0823 4.0823 4.2947 4.2947 5.0016 5.0016 6.0885 6.0885 6.3948 6.3948 7.0686 7.0686 17.9402 17.9402 23.3322 23.3322 24.7808 24.7808 27.7602 27.7602 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.1364-0.1468 ( 724 PWs) bands (ev): 4.0231 4.0231 4.2412 4.2412 4.4973 4.4973 6.1076 6.1076 6.2190 6.2190 6.7438 6.7438 21.2266 21.2266 23.1397 23.1397 25.7821 25.7821 28.7533 28.7533 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.1364-0.0226 ( 724 PWs) bands (ev): 3.8602 3.8602 4.2229 4.2229 4.3669 4.3669 6.0606 6.0606 6.1486 6.1486 6.7204 6.7204 22.2864 22.2864 24.5458 24.5458 27.2704 27.2704 28.0954 28.0954 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.2500 0.1525 ( 729 PWs) bands (ev): 4.1440 4.1440 4.2787 4.2787 5.1407 5.1407 6.1264 6.1264 6.3878 6.3878 6.7406 6.7406 21.2868 21.2868 23.4620 23.4620 24.6485 24.6485 26.9151 26.9151 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.2500 0.2767 ( 723 PWs) bands (ev): 4.1508 4.1508 4.2895 4.2895 5.4420 5.4420 6.1891 6.1891 6.4537 6.4537 7.4215 7.4215 18.2284 18.2284 21.8939 21.8939 23.7405 23.7405 27.4270 27.4270 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.2500 0.4009 ( 726 PWs) bands (ev): 4.2273 4.2273 4.3131 4.3131 5.6386 5.6386 6.1349 6.1349 6.4492 6.4492 8.7932 8.7932 15.2643 15.2643 20.8296 20.8296 23.2033 23.2033 28.3183 28.3183 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.2500 0.5251 ( 722 PWs) bands (ev): 4.2628 4.2628 4.3455 4.3455 5.7356 5.7356 6.1207 6.1207 6.4249 6.4249 10.2668 10.2668 13.0882 13.0882 20.3236 20.3236 22.9881 22.9881 29.1717 29.1717 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.2500 0.6494 ( 725 PWs) bands (ev): 4.2536 4.2536 4.3333 4.3333 5.7065 5.7065 6.1230 6.1230 6.4334 6.4334 9.6614 9.6614 13.9010 13.9010 20.4757 20.4757 23.0500 23.0500 28.8384 28.8384 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.2500-0.3444 ( 726 PWs) bands (ev): 4.1929 4.1929 4.2998 4.2998 5.5593 5.5593 6.1557 6.1557 6.4597 6.4597 8.1132 8.1132 16.5592 16.5592 21.2525 21.2525 23.4035 23.4035 27.8847 27.8847 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.2500-0.2202 ( 729 PWs) bands (ev): 4.1314 4.1314 4.2836 4.2836 5.3223 5.3223 6.2051 6.2051 6.4184 6.4184 7.0014 7.0014 19.6602 19.6602 22.5339 22.5339 24.1072 24.1072 27.1309 27.1309 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.2500-0.0960 ( 726 PWs) bands (ev): 4.1875 4.1875 4.2769 4.2769 4.9668 4.9668 6.0094 6.0094 6.4140 6.4140 6.6542 6.6542 22.3452 22.3452 24.4099 24.4099 25.1776 25.1776 26.8563 26.8563 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.2500 0.0282 ( 726 PWs) bands (ev): 4.2437 4.2437 4.2849 4.2849 4.8045 4.8045 5.9316 5.9316 6.4501 6.4501 6.6060 6.6060 23.0090 23.0090 25.3591 25.3591 25.8541 25.8541 26.7493 26.7493 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.3636 0.2033 ( 724 PWs) bands (ev): 4.0222 4.0222 4.3016 4.3016 5.6081 5.6081 6.2934 6.2934 6.7790 6.7790 7.7804 7.7804 19.2638 19.2638 21.5713 21.5713 22.3488 22.3488 28.0473 28.0473 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.3636 0.3275 ( 723 PWs) bands (ev): 4.0415 4.0415 4.2864 4.2864 5.6409 5.6409 6.3581 6.3581 6.8459 6.8459 8.9110 8.9110 17.2996 17.2996 19.5324 19.5324 21.0629 21.0629 29.7913 29.7913 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.3636 0.4517 ( 726 PWs) bands (ev): 4.1739 4.1739 4.3082 4.3082 5.6357 5.6357 6.3862 6.3862 6.6854 6.6854 10.4420 10.4420 15.3341 15.3341 18.1678 18.1678 20.4960 20.4960 30.8384 30.8384 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.3636 0.5760 ( 722 PWs) bands (ev): 4.2138 4.2138 4.3457 4.3457 5.6209 5.6209 6.4145 6.4145 6.5991 6.5991 11.2096 11.2096 14.4383 14.4383 17.8056 17.8056 20.3564 20.3564 30.9951 30.9951 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.3636 0.7002 ( 728 PWs) bands (ev): 4.1403 4.1403 4.2961 4.2961 5.6413 5.6413 6.3763 6.3763 6.7325 6.7325 10.0280 10.0280 15.8401 15.8401 18.4406 18.4406 20.6037 20.6037 30.6919 30.6919 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.3636-0.2936 ( 717 PWs) bands (ev): 4.0173 4.0173 4.2883 4.2883 5.6347 5.6347 6.3499 6.3499 6.8684 6.8684 8.5301 8.5301 17.8483 17.8483 20.0642 20.0642 21.3140 21.3140 29.4461 29.4461 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.3636-0.1694 ( 722 PWs) bands (ev): 4.0525 4.0525 4.3086 4.3086 5.5952 5.5952 6.2385 6.2385 6.6782 6.6782 7.6426 7.6426 19.7713 19.7713 22.0618 22.0618 22.9225 22.9225 27.4233 27.4233 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.3636-0.0452 ( 717 PWs) bands (ev): 4.2190 4.2190 4.3427 4.3427 5.5139 5.5139 5.8673 5.8673 6.4664 6.4664 7.5166 7.5166 21.2938 21.2938 23.6795 23.6795 24.4602 24.4602 25.4390 25.4390 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.3636 0.0791 ( 720 PWs) bands (ev): 4.1793 4.1793 4.3316 4.3316 5.5429 5.5429 5.9529 5.9529 6.4895 6.4895 7.5246 7.5246 20.9754 20.9754 23.2698 23.2698 24.2659 24.2659 25.9394 25.9394 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.4773 0.2541 ( 720 PWs) bands (ev): 3.9164 3.9164 4.2353 4.2353 5.7625 5.7625 6.3994 6.3994 7.0718 7.0718 9.9697 9.9697 16.1902 16.1902 19.5925 19.5925 21.4974 21.4974 27.3054 27.3054 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.4773 0.3783 ( 723 PWs) bands (ev): 3.9694 3.9694 4.2295 4.2295 5.7296 5.7296 6.4471 6.4471 7.0768 7.0768 11.2530 11.2530 15.1088 15.1088 18.4452 18.4452 19.3675 19.3675 29.6308 29.6308 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.4773 0.5026 ( 726 PWs) bands (ev): 4.0859 4.0859 4.2885 4.2885 5.6283 5.6283 6.4746 6.4746 6.9165 6.9165 12.5718 12.5718 14.8066 14.8066 16.7037 16.7037 18.5876 18.5876 31.1436 31.1436 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9682 0.9682 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.4773 0.6268 ( 725 PWs) bands (ev): 4.0797 4.0797 4.2818 4.2818 5.6366 5.6366 6.4728 6.4728 6.9271 6.9271 12.4874 12.4874 14.7945 14.7945 16.8444 16.8444 18.6141 18.6141 31.0706 31.0706 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9999 0.9999 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.4773 0.7510 ( 723 PWs) bands (ev): 3.9578 3.9578 4.2277 4.2277 5.7362 5.7362 6.4440 6.4440 7.0899 7.0899 11.1189 11.1189 15.1800 15.1800 18.5697 18.5697 19.5231 19.5231 29.4231 29.4231 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.4773-0.2428 ( 719 PWs) bands (ev): 3.9217 3.9217 4.2382 4.2382 5.7622 5.7622 6.3931 6.3931 7.0488 7.0488 9.8839 9.8839 16.3164 16.3164 19.6990 19.6990 21.6885 21.6885 27.1108 27.1108 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.4773-0.1186 ( 716 PWs) bands (ev): 4.0746 4.0746 4.2917 4.2917 5.7552 5.7552 6.2732 6.2732 6.6067 6.6067 9.3339 9.3339 17.8626 17.8626 21.0068 21.0068 22.6341 22.6341 25.2851 25.2851 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.4773 0.0056 ( 718 PWs) bands (ev): 4.1765 4.1765 4.3559 4.3559 5.7806 5.7806 6.0573 6.0573 6.4287 6.4287 9.2297 9.2297 18.8398 18.8398 21.5045 21.5045 22.6232 22.6232 23.9766 23.9766 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.4773 0.1299 ( 717 PWs) bands (ev): 4.0571 4.0571 4.2851 4.2851 5.7547 5.7547 6.2914 6.2914 6.6482 6.6482 9.3589 9.3589 17.7192 17.7192 20.8857 20.8857 22.6572 22.6572 25.4468 25.4468 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.5909 0.3049 ( 723 PWs) bands (ev): 3.9108 3.9108 4.1817 4.1817 5.8423 5.8423 6.5010 6.5010 7.1226 7.1226 12.5503 12.5503 13.2577 13.2577 18.0919 18.0919 21.5854 21.5854 26.9372 26.9372 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9933 0.9933 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.5909 0.4291 ( 724 PWs) bands (ev): 3.9963 3.9963 4.2061 4.2061 5.7712 5.7712 6.4713 6.4713 7.0368 7.0368 12.3421 12.3421 14.0754 14.0754 17.4317 17.4317 19.7958 19.7958 29.2570 29.2570 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.5909 0.5534 ( 721 PWs) bands (ev): 4.0665 4.0665 4.2763 4.2763 5.6351 5.6351 6.4642 6.4642 6.9550 6.9550 12.1408 12.1408 14.9842 14.9842 17.3521 17.3521 18.4469 18.4469 31.1506 31.1506 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.5909 0.6776 ( 724 PWs) bands (ev): 4.0073 4.0073 4.2125 4.2125 5.7559 5.7559 6.4694 6.4694 7.0248 7.0248 12.3082 12.3082 14.1950 14.1950 17.4005 17.4005 19.6218 19.6218 29.4969 29.4969 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.5909 0.8018 ( 722 PWs) bands (ev): 3.9122 3.9122 4.1811 4.1811 5.8435 5.8435 6.4988 6.4988 7.1238 7.1238 12.6051 12.6051 13.2211 13.2211 18.0100 18.0100 21.4639 21.4639 27.0970 27.0970 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.7250 0.7250 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.5909-0.1920 ( 720 PWs) bands (ev): 3.9878 3.9878 4.2149 4.2149 5.7904 5.7904 6.4933 6.4933 6.9449 6.9449 11.8356 11.8356 14.2927 14.2927 19.0965 19.0965 21.5799 21.5799 25.8457 25.8457 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.5909-0.0678 ( 710 PWs) bands (ev): 4.1379 4.1379 4.3107 4.3107 5.7557 5.7557 6.3513 6.3513 6.6474 6.6474 11.4354 11.4354 15.7978 15.7978 19.5623 19.5623 20.8994 20.8994 23.9810 23.9810 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.5909 0.0565 ( 711 PWs) bands (ev): 4.1453 4.1453 4.3201 4.3201 5.7569 5.7569 6.3312 6.3312 6.6363 6.6363 11.4195 11.4195 15.9094 15.9094 19.4751 19.4751 20.9742 20.9742 23.8399 23.8399 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.5909 0.1807 ( 718 PWs) bands (ev): 4.0027 4.0027 4.2209 4.2209 5.7842 5.7842 6.4885 6.4885 6.9132 6.9132 11.7803 11.7803 14.4270 14.4270 19.2079 19.2079 21.4684 21.4684 25.6949 25.6949 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.7045 0.3557 ( 723 PWs) bands (ev): 4.0157 4.0157 4.2035 4.2035 5.9120 5.9120 6.3545 6.3545 6.9336 6.9336 10.4062 10.4062 15.6269 15.6269 17.5444 17.5444 22.3026 22.3026 26.8672 26.8672 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.7045 0.4800 ( 721 PWs) bands (ev): 4.1086 4.1086 4.2520 4.2520 5.7347 5.7347 6.3478 6.3478 6.7882 6.7882 9.9555 9.9555 16.0291 16.0291 18.0949 18.0949 21.2158 21.2158 28.9126 28.9126 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.7045 0.6042 ( 726 PWs) bands (ev): 4.1249 4.1249 4.2738 4.2738 5.6731 5.6731 6.3626 6.3626 6.7629 6.7629 9.9112 9.9112 16.0280 16.0280 18.3703 18.3703 20.8602 20.8602 29.6936 29.6936 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.7045 0.7284 ( 725 PWs) bands (ev): 4.0359 4.0359 4.2093 4.2093 5.8974 5.8974 6.3346 6.3346 6.8923 6.8923 10.2286 10.2286 15.8361 15.8361 17.5424 17.5424 22.1790 22.1790 27.1871 27.1871 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.7045 0.8526 ( 723 PWs) bands (ev): 4.0219 4.0219 4.2099 4.2099 5.8512 5.8512 6.4100 6.4100 6.9925 6.9925 11.1266 11.1266 14.8995 14.8995 17.9963 17.9963 21.4864 21.4864 26.9801 26.9801 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.7045-0.1412 ( 720 PWs) bands (ev): 4.1361 4.1361 4.2740 4.2740 5.7473 5.7473 6.3611 6.3611 6.9008 6.9008 12.6053 12.6053 14.1050 14.1050 18.5515 18.5515 19.8402 19.8402 24.9614 24.9614 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.7219 0.7219 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.7045-0.0169 ( 720 PWs) bands (ev): 4.2048 4.2048 4.3523 4.3523 5.7498 5.7498 6.2270 6.2270 6.8114 6.8114 13.4761 13.4761 14.2816 14.2816 17.1178 17.1178 20.6947 20.6947 23.3182 23.3182 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.7045 0.1073 ( 720 PWs) bands (ev): 4.1650 4.1650 4.3010 4.3010 5.7385 5.7385 6.3215 6.3215 6.8651 6.8651 13.0174 13.0174 14.0076 14.0076 18.1516 18.1516 20.0082 20.0082 24.3795 24.3795 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.7045 0.2315 ( 722 PWs) bands (ev): 4.0464 4.0464 4.2206 4.2206 5.8165 5.8165 6.4132 6.4132 6.9840 6.9840 11.4874 11.4874 14.6373 14.6373 18.2546 18.2546 20.9238 20.9238 26.5928 26.5928 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.4318-0.1525 ( 724 PWs) bands (ev): 4.1569 4.1569 4.2683 4.2683 5.7707 5.7707 6.0921 6.0921 6.6079 6.6079 8.4375 8.4375 16.5743 16.5743 19.9331 19.9331 23.4118 23.4118 26.9900 26.9900 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.4318-0.0282 ( 725 PWs) bands (ev): 4.2113 4.2113 4.3002 4.3002 5.5452 5.5452 6.1617 6.1617 6.4377 6.4377 8.2389 8.2389 16.2721 16.2721 21.3568 21.3568 23.1981 23.1981 28.3856 28.3856 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.4318 0.0960 ( 726 PWs) bands (ev): 4.1859 4.1859 4.2805 4.2805 5.6665 5.6665 6.1123 6.1123 6.5097 6.5097 8.3050 8.3050 16.3899 16.3899 20.6399 20.6399 23.6429 23.6429 27.2104 27.2104 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.4318 0.2202 ( 726 PWs) bands (ev): 4.1397 4.1397 4.2661 4.2661 5.7755 5.7755 6.1416 6.1416 6.7550 6.7550 8.7430 8.7430 16.8501 16.8501 19.1553 19.1553 22.2254 22.2254 27.8359 27.8359 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.4318 0.3444 ( 724 PWs) bands (ev): 4.1655 4.1655 4.3045 4.3045 5.6750 5.6750 6.1992 6.1992 6.9304 6.9304 9.8489 9.8489 16.8551 16.8551 18.3051 18.3051 20.0106 20.0106 26.5479 26.5479 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.4318-0.6494 ( 718 PWs) bands (ev): 4.2140 4.2140 4.3498 4.3498 5.6470 5.6470 6.2010 6.2010 6.9142 6.9142 11.4124 11.4124 15.6667 15.6667 17.1323 17.1323 20.4575 20.4575 24.2464 24.2464 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.4318-0.5251 ( 716 PWs) bands (ev): 4.2299 4.2299 4.3544 4.3544 5.6515 5.6515 6.2028 6.2028 6.8939 6.8939 11.9831 11.9831 15.0915 15.0915 16.8676 16.8676 20.9389 20.9389 23.5344 23.5344 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.4318-0.4009 ( 719 PWs) bands (ev): 4.1873 4.1873 4.3304 4.3304 5.6514 5.6514 6.2007 6.2007 6.9375 6.9375 10.5417 10.5417 16.4178 16.4178 17.7833 17.7833 19.9248 19.9248 25.4365 25.4365 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.4318-0.2767 ( 727 PWs) bands (ev): 4.1450 4.1450 4.2769 4.2769 5.7278 5.7278 6.1817 6.1817 6.8627 6.8627 9.1584 9.1584 17.0115 17.0115 18.6676 18.6676 21.0637 21.0637 27.9423 27.9423 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.3182-0.1016 ( 725 PWs) bands (ev): 4.0785 4.0785 4.2971 4.2971 5.1726 5.1726 6.0820 6.0820 6.4094 6.4094 7.2940 7.2940 17.0324 17.0324 23.2982 23.2982 24.7557 24.7557 27.5483 27.5483 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.3182 0.0226 ( 726 PWs) bands (ev): 4.0527 4.0527 4.2996 4.2996 5.1162 5.1162 6.0095 6.0095 6.4021 6.4021 7.2579 7.2579 16.8685 16.8685 24.3638 24.3638 25.8058 25.8058 26.9346 26.9346 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.3182 0.1468 ( 727 PWs) bands (ev): 4.0974 4.0974 4.3005 4.3005 5.2235 5.2235 6.1570 6.1570 6.4315 6.4315 7.3475 7.3475 17.2141 17.2141 22.3811 22.3811 23.9386 23.9386 28.2810 28.2810 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.3182 0.2710 ( 727 PWs) bands (ev): 4.0984 4.0984 4.3469 4.3469 5.3789 5.3789 6.2637 6.2637 6.6767 6.6767 7.8270 7.8270 17.9004 17.9004 19.3781 19.3781 22.3093 22.3093 28.4477 28.4477 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.3182 0.3953 ( 725 PWs) bands (ev): 4.0538 4.0538 4.3691 4.3691 5.5271 5.5271 6.3160 6.3160 6.8180 6.8180 9.0992 9.0992 15.9929 15.9929 19.1601 19.1601 21.4951 21.4951 25.9672 25.9672 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.3182-0.5985 ( 724 PWs) bands (ev): 4.0239 4.0239 4.3602 4.3602 5.5887 5.5887 6.4163 6.4163 6.8218 6.8218 10.7437 10.7437 13.5583 13.5583 19.5551 19.5551 21.9463 21.9463 23.9727 23.9727 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.3182-0.4743 ( 724 PWs) bands (ev): 4.0311 4.0311 4.3635 4.3635 5.5770 5.5770 6.3848 6.3848 6.8262 6.8262 10.1813 10.1813 14.2984 14.2984 19.4984 19.4984 21.6583 21.6583 24.5746 24.5746 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.3182-0.3501 ( 722 PWs) bands (ev): 4.0704 4.0704 4.3674 4.3674 5.4798 5.4798 6.2877 6.2877 6.7914 6.7914 8.5529 8.5529 17.0315 17.0315 18.8735 18.8735 21.6733 21.6733 26.8518 26.8518 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.3182-0.2259 ( 725 PWs) bands (ev): 4.1077 4.1077 4.3270 4.3270 5.3206 5.3206 6.2490 6.2490 6.5709 6.5709 7.5704 7.5704 17.6524 17.6524 20.4663 20.4663 22.8099 22.8099 29.1911 29.1911 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.2045-0.0508 ( 725 PWs) bands (ev): 3.6175 3.6175 4.2430 4.2430 4.7833 4.7833 6.0637 6.0637 6.3670 6.3670 6.8880 6.8880 17.8522 17.8522 24.4313 24.4313 27.6792 27.6792 28.8217 28.8217 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.2045 0.0734 ( 725 PWs) bands (ev): 3.6393 3.6393 4.2501 4.2501 4.7962 4.7962 6.0769 6.0769 6.3665 6.3665 6.8892 6.8892 17.9030 17.9030 23.9638 23.9638 27.4536 27.4536 29.0051 29.0051 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.2045 0.1976 ( 727 PWs) bands (ev): 3.7706 3.7706 4.3441 4.3441 5.0236 5.0236 6.1970 6.1970 6.4180 6.4180 6.9423 6.9423 18.4561 18.4561 20.6713 20.6713 26.0905 26.0905 29.9041 29.9041 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.2045 0.3219 ( 723 PWs) bands (ev): 3.7583 3.7583 4.4078 4.4078 5.4902 5.4902 6.2818 6.2818 6.6640 6.6640 7.4071 7.4071 16.9889 16.9889 19.7216 19.7216 24.8862 24.8862 28.0279 28.0279 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.2045 0.4461 ( 723 PWs) bands (ev): 3.6926 3.6926 4.4040 4.4040 5.6871 5.6871 6.3804 6.3804 6.8443 6.8443 8.8865 8.8865 13.8398 13.8398 21.0309 21.0309 24.0883 24.0883 25.7374 25.7374 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.2045-0.5477 ( 728 PWs) bands (ev): 3.6661 3.6661 4.3971 4.3971 5.7097 5.7097 6.4131 6.4131 6.9104 6.9104 10.3236 10.3236 11.9404 11.9404 21.7968 21.7968 24.0476 24.0476 24.4598 24.4598 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.2045-0.4235 ( 724 PWs) bands (ev): 3.7033 3.7033 4.4062 4.4062 5.6724 5.6724 6.3657 6.3657 6.8180 6.8180 8.5532 8.5532 14.3819 14.3819 20.7854 20.7854 24.1864 24.1864 26.1247 26.1247 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.2045-0.2993 ( 725 PWs) bands (ev): 3.7686 3.7686 4.4036 4.4036 5.4148 5.4148 6.2650 6.2650 6.6195 6.6195 7.2526 7.2526 17.5761 17.5761 19.5308 19.5308 25.0840 25.0840 28.4582 28.4582 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.2045-0.1750 ( 726 PWs) bands (ev): 3.7557 3.7557 4.3230 4.3230 4.9559 4.9559 6.1755 6.1755 6.3936 6.3936 6.9213 6.9213 18.3319 18.3319 21.2899 21.2899 26.3325 26.3325 29.9112 29.9112 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.0909 0.0000 ( 721 PWs) bands (ev): 3.2892 3.2892 4.1910 4.1910 4.5012 4.5012 6.0992 6.0992 6.2880 6.2880 6.8551 6.8551 19.0551 19.0551 24.2765 24.2765 29.0219 29.0219 29.8158 29.8158 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.0909 0.1242 ( 721 PWs) bands (ev): 3.4334 3.4334 4.2509 4.2509 4.5747 4.5747 6.1241 6.1241 6.3056 6.3056 6.8449 6.8449 19.3242 19.3242 22.1629 22.1629 29.1692 29.1692 30.1481 30.1481 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.0909 0.2485 ( 730 PWs) bands (ev): 3.5831 3.5831 4.3653 4.3653 5.0565 5.0565 6.1318 6.1318 6.4627 6.4627 6.8822 6.8822 18.4898 18.4898 20.3518 20.3518 28.4873 28.4873 28.8254 28.8254 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.0909 0.3727 ( 732 PWs) bands (ev): 3.5603 3.5603 4.4010 4.4010 5.6645 5.6645 6.1947 6.1947 6.8438 6.8438 7.4109 7.4109 15.1289 15.1289 21.5428 21.5428 26.9619 26.9619 27.9171 27.9171 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.0909 0.4969 ( 728 PWs) bands (ev): 3.5106 3.5106 4.4057 4.4057 5.7589 5.7589 6.2566 6.2566 7.0282 7.0282 9.2527 9.2527 12.0673 12.0673 22.9831 22.9831 25.5995 25.5995 26.6220 26.6220 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.0227 0.0508 ( 725 PWs) bands (ev): 3.4111 3.4111 4.2030 4.2030 4.3401 4.3401 6.0794 6.0794 6.2382 6.2382 6.8152 6.8152 20.6354 20.6354 23.7141 23.7141 28.6234 28.6234 29.4476 29.4476 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.0227 0.1750 ( 719 PWs) bands (ev): 3.6552 3.6552 4.2683 4.2683 4.5088 4.5088 6.1377 6.1377 6.2822 6.2822 6.8164 6.8164 20.2539 20.2539 21.5304 21.5304 27.3517 27.3517 30.4946 30.4946 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.0227 0.2993 ( 727 PWs) bands (ev): 3.7353 3.7353 4.3268 4.3268 5.1760 5.1760 6.1721 6.1721 6.4455 6.4455 7.0412 7.0412 16.9656 16.9656 22.3009 22.3009 26.1797 26.1797 29.3074 29.3074 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.0227 0.4235 ( 730 PWs) bands (ev): 3.6849 3.6849 4.3574 4.3574 5.6428 5.6428 6.2174 6.2174 6.7096 6.7096 8.1142 8.1142 13.7076 13.7076 23.5292 23.5292 25.4085 25.4085 27.9311 27.9311 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.0227 0.5477 ( 728 PWs) bands (ev): 3.6512 3.6512 4.3680 4.3680 5.7127 5.7127 6.2261 6.2261 6.8540 6.8540 9.9836 9.9836 11.1060 11.1060 24.1947 24.1947 25.7834 25.7834 26.4161 26.4161 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.0227-0.4461 ( 729 PWs) bands (ev): 3.6754 3.6754 4.3607 4.3607 5.6703 5.6703 6.2209 6.2209 6.7524 6.7524 8.4324 8.4324 13.1578 13.1578 23.7360 23.7360 25.3628 25.3628 27.6418 27.6418 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.0227-0.3219 ( 729 PWs) bands (ev): 3.7295 3.7295 4.3340 4.3340 5.3060 5.3060 6.1816 6.1816 6.4868 6.4868 7.1500 7.1500 16.3508 16.3508 22.5127 22.5127 25.9971 25.9971 29.0693 29.0693 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.0227-0.1976 ( 720 PWs) bands (ev): 3.6901 3.6901 4.2821 4.2821 4.5945 4.5945 6.1444 6.1444 6.3046 6.3046 6.8284 6.8284 19.7260 19.7260 21.5676 21.5676 27.1235 27.1235 30.3417 30.3417 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.0227-0.0734 ( 722 PWs) bands (ev): 3.4451 3.4451 4.2093 4.2093 4.3495 4.3495 6.0885 6.0885 6.2397 6.2397 6.8129 6.8129 20.6719 20.6719 23.2918 23.2918 28.4112 28.4112 29.6717 29.6717 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.2045 0.1525 ( 730 PWs) bands (ev): 4.1198 4.1198 4.2132 4.2132 5.4629 5.4629 6.1502 6.1502 6.5398 6.5398 6.7777 6.7777 20.6365 20.6365 22.4392 22.4392 23.3732 23.3732 27.5058 27.5058 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.2045 0.2767 ( 724 PWs) bands (ev): 4.1283 4.1283 4.2220 4.2220 5.7140 5.7140 6.1198 6.1198 6.6404 6.6404 7.5428 7.5428 18.3580 18.3580 20.7358 20.7358 23.1016 23.1016 27.1892 27.1892 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.2045 0.4009 ( 724 PWs) bands (ev): 4.1747 4.1747 4.3018 4.3018 5.7851 5.7851 6.0854 6.0854 6.5968 6.5968 9.0057 9.0057 15.5849 15.5849 19.5832 19.5832 23.6401 23.6401 26.9553 26.9553 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.2045 0.5251 ( 726 PWs) bands (ev): 4.1954 4.1954 4.3736 4.3736 5.8037 5.8037 6.0758 6.0758 6.5675 6.5675 10.4942 10.4942 13.4837 13.4837 19.0500 19.0500 24.1439 24.1439 27.1867 27.1867 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.2045 0.6494 ( 726 PWs) bands (ev): 4.1891 4.1891 4.3502 4.3502 5.7987 5.7987 6.0778 6.0778 6.5768 6.5768 9.8939 9.8939 14.2659 14.2659 19.2099 19.2099 23.9679 23.9679 27.0265 27.0265 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.2045-0.3444 ( 728 PWs) bands (ev): 4.1566 4.1566 4.2579 4.2579 5.7637 5.7637 6.0979 6.0979 6.6178 6.6178 8.2924 8.2924 16.8218 16.8218 20.0337 20.0337 23.3587 23.3587 27.0105 27.0105 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.2045-0.2202 ( 724 PWs) bands (ev): 4.1121 4.1121 4.2100 4.2100 5.6345 5.6345 6.1390 6.1390 6.6424 6.6424 7.0570 7.0570 19.5566 19.5566 21.4699 21.4699 23.0315 23.0315 27.4054 27.4054 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.2045-0.0960 ( 727 PWs) bands (ev): 4.1413 4.1413 4.2366 4.2366 5.2714 5.2714 6.1399 6.1399 6.4249 6.4249 6.7479 6.7479 21.1194 21.1194 23.0400 23.0400 24.1886 24.1886 27.0271 27.0271 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.2045 0.0282 ( 725 PWs) bands (ev): 4.1561 4.1561 4.2827 4.2827 5.0952 5.0952 6.1216 6.1216 6.3797 6.3797 6.7439 6.7439 21.3290 21.3290 23.6290 23.6290 24.6960 24.6960 27.0105 27.0105 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.3182 0.2033 ( 724 PWs) bands (ev): 4.0041 4.0041 4.2039 4.2039 5.7786 5.7786 6.3405 6.3405 6.8539 6.8539 7.8209 7.8209 18.6464 18.6464 21.4787 21.4787 22.7514 22.7514 26.9320 26.9320 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.3182 0.3275 ( 720 PWs) bands (ev): 4.0244 4.0244 4.2005 4.2005 5.8010 5.8010 6.3610 6.3610 6.8970 6.8970 9.0000 9.0000 17.0351 17.0351 19.1205 19.1205 21.7950 21.7950 27.9093 27.9093 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.3182 0.4517 ( 723 PWs) bands (ev): 4.1201 4.1201 4.2794 4.2794 5.7687 5.7687 6.3245 6.3245 6.7651 6.7651 10.5619 10.5619 15.4296 15.4296 17.4331 17.4331 21.3820 21.3820 28.7108 28.7108 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.3182 0.5760 ( 725 PWs) bands (ev): 4.1397 4.1397 4.3468 4.3468 5.7423 5.7423 6.3059 6.3059 6.7146 6.7146 11.3371 11.3371 14.6142 14.6142 17.0009 17.0009 21.2873 21.2873 29.1778 29.1778 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.3182 0.7002 ( 721 PWs) bands (ev): 4.1014 4.1014 4.2468 4.2468 5.7814 5.7814 6.3355 6.3355 6.7990 6.7990 10.1411 10.1411 15.8652 15.8652 17.7697 17.7697 21.4574 21.4574 28.4861 28.4861 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.3182-0.2936 ( 718 PWs) bands (ev): 4.0017 4.0017 4.1963 4.1963 5.8008 5.8008 6.3651 6.3651 6.9212 6.9212 8.6079 8.6079 17.4682 17.4682 19.7522 19.7522 21.9852 21.9852 27.6954 27.6954 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.3182-0.1694 ( 723 PWs) bands (ev): 4.0307 4.0307 4.2129 4.2129 5.7594 5.7594 6.3045 6.3045 6.7580 6.7580 7.6716 7.6716 19.0954 19.0954 22.0149 22.0149 23.1672 23.1672 26.5550 26.5550 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.3182-0.0452 ( 719 PWs) bands (ev): 4.1445 4.1445 4.2979 4.2979 5.5907 5.5907 6.0574 6.0574 6.5288 6.5288 7.5386 7.5386 20.5313 20.5313 22.9672 22.9672 24.0159 24.0159 26.2518 26.2518 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.3182 0.0791 ( 719 PWs) bands (ev): 4.1246 4.1246 4.2672 4.2672 5.6477 5.6477 6.1111 6.1111 6.5543 6.5543 7.5464 7.5464 20.2176 20.2176 22.8772 22.8772 23.9774 23.9774 26.1715 26.1715 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.4318 0.2541 ( 720 PWs) bands (ev): 3.9164 3.9164 4.2353 4.2353 5.7625 5.7625 6.3994 6.3994 7.0718 7.0718 9.9697 9.9697 16.1902 16.1902 19.5925 19.5925 21.4974 21.4974 27.3054 27.3054 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.4318 0.3783 ( 723 PWs) bands (ev): 3.9694 3.9694 4.2295 4.2295 5.7296 5.7296 6.4471 6.4471 7.0768 7.0768 11.2530 11.2530 15.1088 15.1088 18.4452 18.4452 19.3675 19.3675 29.6308 29.6308 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.4318 0.5026 ( 726 PWs) bands (ev): 4.0859 4.0859 4.2885 4.2885 5.6283 5.6283 6.4746 6.4746 6.9165 6.9165 12.5718 12.5718 14.8066 14.8066 16.7037 16.7037 18.5876 18.5876 31.1436 31.1436 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9682 0.9682 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.4318 0.6268 ( 725 PWs) bands (ev): 4.0797 4.0797 4.2818 4.2818 5.6366 5.6366 6.4728 6.4728 6.9271 6.9271 12.4874 12.4874 14.7945 14.7945 16.8444 16.8444 18.6141 18.6141 31.0707 31.0707 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9999 0.9999 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.4318 0.7510 ( 723 PWs) bands (ev): 3.9578 3.9578 4.2277 4.2277 5.7362 5.7362 6.4440 6.4440 7.0899 7.0899 11.1189 11.1189 15.1800 15.1800 18.5697 18.5697 19.5231 19.5231 29.4231 29.4231 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.4318-0.2428 ( 719 PWs) bands (ev): 3.9217 3.9217 4.2382 4.2382 5.7622 5.7622 6.3931 6.3931 7.0488 7.0488 9.8839 9.8839 16.3164 16.3164 19.6990 19.6990 21.6885 21.6885 27.1108 27.1108 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.4318-0.1186 ( 716 PWs) bands (ev): 4.0746 4.0746 4.2917 4.2917 5.7552 5.7552 6.2732 6.2732 6.6067 6.6067 9.3339 9.3339 17.8626 17.8626 21.0068 21.0068 22.6341 22.6341 25.2851 25.2851 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.4318 0.0056 ( 718 PWs) bands (ev): 4.1765 4.1765 4.3559 4.3559 5.7806 5.7806 6.0573 6.0573 6.4287 6.4287 9.2297 9.2297 18.8398 18.8398 21.5045 21.5045 22.6232 22.6232 23.9766 23.9766 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.4318 0.1299 ( 717 PWs) bands (ev): 4.0571 4.0571 4.2851 4.2851 5.7547 5.7547 6.2914 6.2914 6.6482 6.6482 9.3589 9.3589 17.7192 17.7192 20.8857 20.8857 22.6572 22.6572 25.4468 25.4468 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.5454 0.3049 ( 719 PWs) bands (ev): 3.9296 3.9296 4.2746 4.2746 5.7957 5.7957 6.3973 6.3973 7.0824 7.0824 12.6300 12.6300 13.7670 13.7670 17.2242 17.2242 21.6836 21.6836 27.0501 27.0501 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.2964 0.2964 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.5454 0.4291 ( 725 PWs) bands (ev): 4.0182 4.0182 4.2835 4.2835 5.7100 5.7100 6.4421 6.4421 6.9818 6.9818 12.9837 12.9837 14.0499 14.0499 16.4971 16.4971 19.6530 19.6530 29.5998 29.5998 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.5454 0.5534 ( 724 PWs) bands (ev): 4.1135 4.1135 4.3175 4.3175 5.5804 5.5804 6.4889 6.4889 6.8699 6.8699 12.7362 12.7362 15.0874 15.0874 16.3289 16.3289 18.2391 18.2391 32.2915 32.2917 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0002 0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.5454 0.6776 ( 725 PWs) bands (ev): 4.0313 4.0313 4.2864 4.2864 5.6947 5.6947 6.4476 6.4476 6.9667 6.9667 12.9412 12.9412 14.1850 14.1850 16.4579 16.4579 19.4676 19.4676 29.8426 29.8426 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.5454 0.8018 ( 721 PWs) bands (ev): 3.9304 3.9304 4.2736 4.2736 5.7948 5.7948 6.4006 6.4006 7.0835 7.0835 12.7436 12.7436 13.6712 13.6712 17.1375 17.1375 21.5244 21.5244 27.2704 27.2704 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0001 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.5454-0.1920 ( 722 PWs) bands (ev): 4.0162 4.0162 4.3036 4.3036 5.7670 5.7670 6.3562 6.3562 6.8950 6.8950 11.7503 11.7503 14.9934 14.9934 18.2754 18.2754 22.1895 22.1895 24.9752 24.9752 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.5454-0.0678 ( 715 PWs) bands (ev): 4.1986 4.1986 4.3675 4.3675 5.7809 5.7809 6.2293 6.2293 6.5292 6.5292 11.3113 11.3113 16.6201 16.6201 19.4823 19.4823 20.8719 20.8719 22.9923 22.9923 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.5454 0.0565 ( 713 PWs) bands (ev): 4.2092 4.2092 4.3735 4.3735 5.7884 5.7884 6.2097 6.2097 6.5113 6.5113 11.2940 11.2940 16.7428 16.7428 19.5352 19.5352 20.7968 20.7968 22.8565 22.8565 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.5454 0.1807 ( 720 PWs) bands (ev): 4.0327 4.0327 4.3083 4.3083 5.7637 5.7637 6.3502 6.3502 6.8607 6.8607 11.6891 11.6891 15.1387 15.1387 18.3949 18.3949 22.1072 22.1072 24.7770 24.7770 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.6591 0.3557 ( 724 PWs) bands (ev): 4.0446 4.0446 4.3258 4.3258 5.8795 5.8795 6.2450 6.2450 6.8652 6.8652 11.5822 11.5822 15.1358 15.1358 16.0534 16.0534 22.5949 22.5949 26.9909 26.9909 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.6591 0.4800 ( 727 PWs) bands (ev): 4.1538 4.1538 4.3368 4.3368 5.7061 5.7061 6.3386 6.3386 6.6893 6.6893 11.0966 11.0966 14.7614 14.7614 17.3469 17.3469 20.9957 20.9957 29.5634 29.5634 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.6591 0.6042 ( 724 PWs) bands (ev): 4.1852 4.1852 4.3373 4.3373 5.6528 5.6528 6.3787 6.3787 6.6464 6.6464 11.0457 11.0457 14.6954 14.6954 17.6806 17.6806 20.6084 20.6084 30.3105 30.3105 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.6591 0.7284 ( 724 PWs) bands (ev): 4.0634 4.0634 4.3291 4.3291 5.8612 5.8612 6.2486 6.2486 6.8217 6.8217 11.3960 11.3960 15.0605 15.0605 16.3236 16.3236 22.2381 22.2381 27.6163 27.6163 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.6591 0.8526 ( 727 PWs) bands (ev): 4.0618 4.0618 4.3240 4.3240 5.8206 5.8206 6.2818 6.2818 6.9196 6.9196 12.3082 12.3082 14.6465 14.6465 16.3216 16.3216 22.4312 22.4312 25.5638 25.5638 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.6591-0.1412 ( 716 PWs) bands (ev): 4.2052 4.2052 4.3484 4.3484 5.7438 5.7438 6.2475 6.2475 6.8013 6.8013 13.4647 13.4647 14.1885 14.1885 17.5113 17.5113 20.2793 20.2793 23.4006 23.4006 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.6591-0.0169 ( 708 PWs) bands (ev): 4.3091 4.3091 4.3784 4.3784 5.8185 5.8185 6.0935 6.0935 6.6771 6.6771 13.3032 13.3032 15.5334 15.5334 17.8483 17.8483 19.0490 19.0490 21.9884 21.9884 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.6591 0.1073 ( 714 PWs) bands (ev): 4.2465 4.2465 4.3587 4.3587 5.7520 5.7520 6.2097 6.2097 6.7532 6.7532 13.4455 13.4455 14.5461 14.5461 17.8119 17.8119 19.6869 19.6869 22.8781 22.8781 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.6591 0.2315 ( 725 PWs) bands (ev): 4.0920 4.0920 4.3275 4.3275 5.7886 5.7886 6.2874 6.2874 6.9072 6.9072 12.6608 12.6608 14.3913 14.3913 16.6170 16.6170 21.9421 21.9421 24.9733 24.9733 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0419 0.0419 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.7727 0.4066 ( 726 PWs) bands (ev): 4.1805 4.1805 4.3472 4.3472 5.8010 5.8010 6.0754 6.0754 6.5739 6.5739 9.7552 9.7552 14.4734 14.4734 19.2591 19.2591 23.9170 23.9170 27.0034 27.0034 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.7727 0.5308 ( 726 PWs) bands (ev): 4.2662 4.2662 4.3176 4.3176 5.6780 5.6780 6.1375 6.1375 6.4149 6.4149 9.5073 9.5073 14.0829 14.0829 20.7209 20.7209 22.8697 22.8697 29.2280 29.2280 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.7727 0.6550 ( 725 PWs) bands (ev): 4.2138 4.2138 4.3416 4.3416 5.7605 5.7605 6.0777 6.0777 6.4869 6.4869 9.5953 9.5953 14.2319 14.2319 19.9937 19.9937 23.5588 23.5588 27.8135 27.8135 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.7727 0.7792 ( 728 PWs) bands (ev): 4.1685 4.1685 4.3449 4.3449 5.7434 5.7434 6.1543 6.1543 6.7042 6.7042 10.0812 10.0812 14.8838 14.8838 18.4157 18.4157 23.2039 23.2039 26.9156 26.9156 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.7727 0.9035 ( 718 PWs) bands (ev): 4.2022 4.2022 4.3491 4.3491 5.6470 5.6470 6.2059 6.2059 6.9065 6.9065 11.1464 11.1464 15.7524 15.7524 17.2697 17.2697 20.5807 20.5807 24.6461 24.6461 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.7727-0.0903 ( 713 PWs) bands (ev): 4.2445 4.2445 4.3495 4.3495 5.7083 5.7083 6.1629 6.1629 6.9229 6.9229 12.6538 12.6538 15.7573 15.7573 17.0387 17.0387 18.7667 18.7667 22.5488 22.5488 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0681 0.0681 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.7727 0.0339 ( 717 PWs) bands (ev): 4.2597 4.2597 4.3404 4.3404 5.7490 5.7490 6.1437 6.1437 6.9061 6.9061 13.2050 13.2050 15.5960 15.5960 16.7088 16.7088 18.7783 18.7783 21.9828 21.9828 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.7727 0.1581 ( 719 PWs) bands (ev): 4.2219 4.2219 4.3537 4.3537 5.6578 5.6578 6.1909 6.1909 6.9334 6.9334 11.8107 11.8107 15.9044 15.9044 17.1293 17.1293 19.4955 19.4955 23.6032 23.6032 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.7727 0.2823 ( 725 PWs) bands (ev): 4.1790 4.1790 4.3439 4.3439 5.6836 5.6836 6.1976 6.1976 6.8152 6.8152 10.4883 10.4883 15.2925 15.2925 17.8024 17.8024 22.0484 22.0484 25.9933 25.9933 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.3636-0.1016 ( 727 PWs) bands (ev): 4.0481 4.0481 4.3185 4.3185 5.5542 5.5542 6.1109 6.1109 6.4419 6.4419 8.2957 8.2957 14.4461 14.4461 22.8713 22.8713 25.2903 25.2903 27.1381 27.1381 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.3636 0.0226 ( 729 PWs) bands (ev): 4.0229 4.0229 4.3171 4.3171 5.5838 5.5838 6.0107 6.0107 6.4373 6.4373 8.2122 8.2122 14.2692 14.2692 23.8009 23.8009 25.4105 25.4105 27.6938 27.6938 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.3636 0.1468 ( 727 PWs) bands (ev): 4.0662 4.0662 4.3249 4.3249 5.5262 5.5262 6.2111 6.2111 6.4557 6.4557 8.3983 8.3983 14.6431 14.6431 22.1979 22.1979 24.3706 24.3706 27.7404 27.7404 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.3636 0.2710 ( 726 PWs) bands (ev): 4.0638 4.0638 4.3646 4.3646 5.5077 5.5077 6.3300 6.3300 6.7243 6.7243 8.9855 8.9855 15.4737 15.4737 19.9435 19.9435 21.9417 21.9417 26.4649 26.4649 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.3636 0.3953 ( 721 PWs) bands (ev): 4.0103 4.0103 4.3396 4.3396 5.6589 5.6589 6.3305 6.3305 6.9837 6.9837 10.2000 10.2000 16.1803 16.1803 17.5616 17.5616 20.6425 20.6425 23.9943 23.9943 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.3636-0.5985 ( 723 PWs) bands (ev): 3.9755 3.9755 4.2884 4.2884 5.7851 5.7851 6.3813 6.3813 7.0433 7.0433 11.7766 11.7766 14.4821 14.4821 17.7311 17.7311 20.3715 20.3715 22.2553 22.2553 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.3636-0.4743 ( 720 PWs) bands (ev): 3.9837 3.9837 4.3022 4.3022 5.7561 5.7561 6.3620 6.3620 7.0360 7.0360 11.2353 11.2353 15.1484 15.1484 17.5720 17.5720 20.3625 20.3625 22.7373 22.7373 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.3636-0.3501 ( 721 PWs) bands (ev): 4.0302 4.0302 4.3584 4.3584 5.5920 5.5920 6.3252 6.3252 6.9167 6.9167 9.6831 9.6831 16.0710 16.0710 18.2774 18.2774 20.9934 20.9934 24.8438 24.8438 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.3636-0.2259 ( 731 PWs) bands (ev): 4.0750 4.0750 4.3513 4.3513 5.4953 5.4953 6.3241 6.3241 6.5914 6.5914 8.7086 8.7086 15.1323 15.1323 20.8478 20.8478 22.7037 22.7037 27.4263 27.4263 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.2500-0.0508 ( 730 PWs) bands (ev): 3.6441 3.6441 4.2749 4.2749 5.4749 5.4749 6.0608 6.0608 6.5388 6.5388 7.2680 7.2680 15.0795 15.0795 25.3557 25.3557 26.9555 26.9555 28.1058 28.1058 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.2500 0.0734 ( 728 PWs) bands (ev): 3.6583 3.6583 4.2826 4.2826 5.4707 5.4707 6.0805 6.0805 6.5394 6.5394 7.2836 7.2836 15.1311 15.1311 24.8837 24.8837 26.7027 26.7027 28.2537 28.2537 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.2500 0.1976 ( 731 PWs) bands (ev): 3.7397 3.7397 4.3734 4.3734 5.4948 5.4948 6.2544 6.2544 6.6082 6.6082 7.4982 7.4982 15.7163 15.7163 21.5927 21.5927 25.2320 25.2320 28.3690 28.3690 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.2500 0.3219 ( 728 PWs) bands (ev): 3.7163 3.7163 4.4021 4.4021 5.7218 5.7218 6.3483 6.3483 6.8794 6.8794 8.1801 8.1801 16.4958 16.4958 18.4157 18.4157 23.9420 23.9420 26.0206 26.0206 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.2500 0.4461 ( 730 PWs) bands (ev): 3.6501 3.6501 4.3290 4.3290 5.9176 5.9176 6.4520 6.4520 7.0622 7.0622 9.6732 9.6732 14.6484 14.6484 18.3908 18.3908 22.9815 22.9815 23.8596 23.8596 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.2500-0.5477 ( 729 PWs) bands (ev): 3.6236 3.6236 4.2946 4.2946 5.9571 5.9571 6.5131 6.5131 7.1100 7.1100 10.9915 10.9915 12.9151 12.9151 19.0093 19.0093 22.5008 22.5008 23.1023 23.1023 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.2500-0.4235 ( 728 PWs) bands (ev): 3.6608 3.6608 4.3425 4.3425 5.8962 5.8962 6.4304 6.4304 7.0403 7.0403 9.3499 9.3499 15.1424 15.1424 18.2033 18.2033 23.1282 23.1282 24.1876 24.1876 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.2500-0.2993 ( 725 PWs) bands (ev): 3.7270 3.7270 4.4087 4.4087 5.6714 5.6714 6.3354 6.3354 6.8289 6.8289 7.9979 7.9979 16.4053 16.4053 18.9024 18.9024 24.1565 24.1565 26.4719 26.4719 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.2500-0.1750 ( 729 PWs) bands (ev): 3.7311 3.7311 4.3541 4.3541 5.4774 5.4774 6.2233 6.2233 6.5797 6.5797 7.4382 7.4382 15.5764 15.5764 22.2198 22.2198 25.4895 25.4895 28.6165 28.6165 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.1364 0.0000 ( 725 PWs) bands (ev): 3.4342 3.4342 4.2293 4.2293 5.1890 5.1890 6.0874 6.0874 6.4526 6.4526 6.9241 6.9241 16.2354 16.2354 25.2591 25.2591 28.5174 28.5174 29.0654 29.0655 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.1364 0.1242 ( 731 PWs) bands (ev): 3.5227 3.5227 4.2924 4.2924 5.2432 5.2432 6.1189 6.1189 6.4955 6.4955 6.9429 6.9429 16.5207 16.5207 23.0077 23.0077 28.4499 28.4499 28.8966 28.8966 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.1364 0.2485 ( 724 PWs) bands (ev): 3.5957 3.5957 4.4193 4.4193 5.5569 5.5569 6.1527 6.1527 6.7580 6.7580 7.0549 7.0549 17.2470 17.2470 19.6061 19.6061 27.1384 27.1384 28.2658 28.2658 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.1364 0.3727 ( 723 PWs) bands (ev): 3.5526 3.5526 4.4128 4.4128 5.9194 5.9194 6.2504 6.2504 7.0082 7.0082 7.9560 7.9560 15.8272 15.8272 18.8399 18.8399 25.4294 25.4294 26.3397 26.3397 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.1364 0.4969 ( 730 PWs) bands (ev): 3.4982 3.4982 4.3619 4.3619 5.9720 5.9720 6.3896 6.3896 7.1188 7.1188 9.8232 9.8232 12.8840 12.8840 20.1109 20.1109 23.6522 23.6522 25.2721 25.2721 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.0227 0.0508 ( 725 PWs) bands (ev): 3.6175 3.6175 4.2430 4.2430 4.7833 4.7833 6.0637 6.0637 6.3670 6.3670 6.8880 6.8880 17.8522 17.8522 24.4313 24.4313 27.6792 27.6792 28.8217 28.8217 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.0227 0.1750 ( 726 PWs) bands (ev): 3.7557 3.7557 4.3230 4.3230 4.9559 4.9559 6.1755 6.1755 6.3936 6.3936 6.9213 6.9213 18.3319 18.3319 21.2899 21.2899 26.3325 26.3325 29.9112 29.9112 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.0227 0.2993 ( 725 PWs) bands (ev): 3.7686 3.7686 4.4036 4.4036 5.4148 5.4148 6.2650 6.2650 6.6195 6.6195 7.2526 7.2526 17.5761 17.5761 19.5308 19.5308 25.0840 25.0840 28.4582 28.4582 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.0227 0.4235 ( 724 PWs) bands (ev): 3.7033 3.7033 4.4062 4.4062 5.6724 5.6724 6.3657 6.3657 6.8180 6.8180 8.5532 8.5532 14.3819 14.3819 20.7854 20.7854 24.1864 24.1864 26.1247 26.1247 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.0227 0.5477 ( 728 PWs) bands (ev): 3.6661 3.6661 4.3971 4.3971 5.7097 5.7097 6.4131 6.4131 6.9104 6.9104 10.3236 10.3236 11.9404 11.9404 21.7968 21.7968 24.0476 24.0476 24.4598 24.4598 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.0227-0.4461 ( 723 PWs) bands (ev): 3.6926 3.6926 4.4040 4.4040 5.6871 5.6871 6.3804 6.3804 6.8443 6.8443 8.8865 8.8865 13.8398 13.8398 21.0309 21.0309 24.0883 24.0883 25.7374 25.7374 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.0227-0.3219 ( 723 PWs) bands (ev): 3.7583 3.7583 4.4078 4.4078 5.4902 5.4902 6.2818 6.2818 6.6640 6.6640 7.4071 7.4071 16.9889 16.9889 19.7216 19.7216 24.8862 24.8862 28.0279 28.0279 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.0227-0.1976 ( 727 PWs) bands (ev): 3.7706 3.7706 4.3441 4.3441 5.0236 5.0236 6.1970 6.1970 6.4180 6.4180 6.9423 6.9423 18.4561 18.4561 20.6713 20.6713 26.0905 26.0905 29.9041 29.9041 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.0227-0.0734 ( 725 PWs) bands (ev): 3.6393 3.6393 4.2501 4.2501 4.7962 4.7962 6.0769 6.0769 6.3665 6.3665 6.8892 6.8892 17.9030 17.9030 23.9638 23.9638 27.4536 27.4536 29.0051 29.0051 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.0909 0.1016 ( 726 PWs) bands (ev): 4.0742 4.0742 4.2617 4.2617 4.6861 4.6861 6.0898 6.0898 6.3213 6.3213 6.8204 6.8204 19.7908 19.7908 23.2000 23.2000 25.2091 25.2091 28.2657 28.2657 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.0909 0.2259 ( 727 PWs) bands (ev): 4.1212 4.1212 4.2889 4.2889 5.0406 5.0406 6.1993 6.1993 6.4577 6.4577 6.9895 6.9895 19.4704 19.4704 20.7521 20.7521 23.7197 23.7197 29.8207 29.8207 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.0909 0.3501 ( 723 PWs) bands (ev): 4.0931 4.0931 4.3354 4.3354 5.4033 5.4033 6.2628 6.2628 6.5334 6.5334 7.9135 7.9135 16.3527 16.3527 21.2188 21.2188 22.9596 22.9596 28.7345 28.7345 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.0909 0.4743 ( 731 PWs) bands (ev): 4.0563 4.0563 4.3575 4.3575 5.5563 5.5563 6.3632 6.3632 6.5464 6.5464 9.5317 9.5317 13.4761 13.4761 21.1487 21.1487 23.7793 23.7793 26.7048 26.7048 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.0909 0.5985 ( 728 PWs) bands (ev): 4.0492 4.0492 4.3606 4.3606 5.5715 5.5715 6.3858 6.3858 6.5512 6.5512 10.1243 10.1243 12.6907 12.6907 21.0804 21.0804 24.2789 24.2789 26.0225 26.0225 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0048 0.0048 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.0909-0.3953 ( 728 PWs) bands (ev): 4.0781 4.0781 4.3461 4.3461 5.4837 5.4837 6.2989 6.2989 6.5382 6.5382 8.4463 8.4463 15.2384 15.2384 21.2726 21.2726 23.0778 23.0778 28.0822 28.0822 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.0909-0.2710 ( 726 PWs) bands (ev): 4.1158 4.1158 4.3080 4.3080 5.1894 5.1894 6.2190 6.2190 6.5053 6.5053 7.2200 7.2200 18.3886 18.3886 20.8692 20.8692 23.3182 23.3182 29.4565 29.4565 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.0909-0.1468 ( 726 PWs) bands (ev): 4.1014 4.1014 4.2645 4.2645 4.7932 4.7932 6.1392 6.1392 6.3499 6.3499 6.8388 6.8388 19.9077 19.9077 22.0825 22.0825 24.6113 24.6113 29.0352 29.0352 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.0909-0.0226 ( 722 PWs) bands (ev): 4.0359 4.0359 4.2655 4.2655 4.5883 4.5883 6.0361 6.0361 6.3081 6.3081 6.8150 6.8150 19.6635 19.6635 24.6046 24.6046 26.3153 26.3153 27.1305 27.1305 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.2727 0.2033 ( 728 PWs) bands (ev): 3.9575 3.9575 4.1117 4.1117 5.9368 5.9368 6.4310 6.4310 7.0384 7.0384 8.1566 8.1566 17.5122 17.5122 21.1475 21.1475 22.3373 22.3373 26.5068 26.5068 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.2727 0.3275 ( 726 PWs) bands (ev): 3.9765 3.9765 4.1237 4.1237 5.9433 5.9433 6.4260 6.4260 7.0197 7.0197 9.3789 9.3789 16.2322 16.2322 19.0983 19.0983 22.0788 22.0788 26.8272 26.8272 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.2727 0.4517 ( 724 PWs) bands (ev): 4.0403 4.0403 4.2571 4.2571 5.8924 5.8924 6.2998 6.2998 6.9006 6.9006 10.9854 10.9854 15.3650 15.3650 16.7640 16.7640 22.4530 22.4530 26.9112 26.9112 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.2727 0.5760 ( 727 PWs) bands (ev): 4.0569 4.0569 4.3377 4.3377 5.8719 5.8719 6.2250 6.2250 6.8646 6.8646 11.7748 11.7748 15.0503 15.0503 15.8476 15.8476 22.6407 22.6407 27.0192 27.0192 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.2727 0.7002 ( 723 PWs) bands (ev): 4.0275 4.0275 4.2124 4.2124 5.9060 5.9060 6.3404 6.3404 6.9276 6.9276 10.5525 10.5525 15.5531 15.5531 17.3363 17.3363 22.3423 22.3423 26.8763 26.8763 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.2727-0.2936 ( 728 PWs) bands (ev): 3.9589 3.9589 4.1094 4.1094 5.9523 5.9523 6.4419 6.4419 7.0493 7.0493 8.9775 8.9775 16.5483 16.5483 19.7782 19.7782 22.0318 22.0318 26.8019 26.8019 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.2727-0.1694 ( 724 PWs) bands (ev): 3.9744 3.9744 4.1285 4.1285 5.9044 5.9044 6.4057 6.4057 6.9846 6.9846 7.9815 7.9815 17.8996 17.8996 21.3341 21.3341 22.6210 22.6210 26.4159 26.4159 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.2727-0.0452 ( 723 PWs) bands (ev): 4.0276 4.0276 4.2686 4.2686 5.6435 5.6435 6.3011 6.3011 6.7987 6.7987 7.7882 7.7882 19.1264 19.1264 21.5444 21.5444 22.4693 22.4693 27.7842 27.7842 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.2727 0.0791 ( 723 PWs) bands (ev): 4.0194 4.0194 4.2276 4.2276 5.7180 5.7180 6.3201 6.3201 6.8280 6.8280 7.8033 7.8033 18.8672 18.8672 21.5074 21.5074 22.6491 22.6491 27.2853 27.2853 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.3863 0.2541 ( 722 PWs) bands (ev): 3.8766 3.8766 4.0914 4.0914 5.8795 5.8795 6.5752 6.5752 7.1685 7.1685 10.1359 10.1359 15.1900 15.1900 20.3654 20.3654 21.6608 21.6608 26.6947 26.6947 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.3863 0.3783 ( 723 PWs) bands (ev): 3.9254 3.9254 4.1122 4.1122 5.8601 5.8601 6.5375 6.5375 7.1502 7.1502 11.4432 11.4432 14.1799 14.1799 18.7784 18.7784 20.4650 20.4650 28.2925 28.2925 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.3863 0.5026 ( 723 PWs) bands (ev): 3.9938 3.9938 4.2432 4.2432 5.7581 5.7581 6.4445 6.4445 7.0310 7.0310 12.8651 12.8651 13.7642 13.7642 16.9118 16.9118 20.0721 20.0721 28.9907 28.9907 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.3863 0.6268 ( 723 PWs) bands (ev): 3.9910 3.9910 4.2316 4.2316 5.7670 5.7670 6.4509 6.4509 7.0375 7.0375 12.7710 12.7710 13.7718 13.7718 17.0413 17.0413 20.0877 20.0877 28.9432 28.9432 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.3863 0.7510 ( 725 PWs) bands (ev): 3.9164 3.9164 4.1055 4.1055 5.8661 5.8661 6.5450 6.5450 7.1624 7.1624 11.3043 11.3043 14.2494 14.2494 18.9597 18.9597 20.5343 20.5343 28.2031 28.2031 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.3863-0.2428 ( 722 PWs) bands (ev): 3.8806 3.8806 4.0940 4.0940 5.8767 5.8767 6.5731 6.5731 7.1511 7.1511 10.0500 10.0500 15.3061 15.3061 20.4653 20.4653 21.7817 21.7817 26.5693 26.5693 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.3863-0.1186 ( 722 PWs) bands (ev): 3.9880 3.9880 4.1810 4.1810 5.8078 5.8078 6.4480 6.4480 6.8346 6.8346 9.5062 9.5062 16.7345 16.7345 21.0364 21.0364 22.3178 22.3178 26.1779 26.1779 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.3863 0.0056 ( 716 PWs) bands (ev): 4.0373 4.0373 4.2957 4.2957 5.7312 5.7312 6.2760 6.2760 6.7309 6.7309 9.4061 9.4061 17.6446 17.6446 20.4522 20.4522 22.7865 22.7865 25.5879 25.5879 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.3863 0.1299 ( 722 PWs) bands (ev): 3.9778 3.9778 4.1677 4.1677 5.8167 5.8167 6.4694 6.4694 6.8599 6.8599 9.5306 9.5306 16.6015 16.6015 21.0605 21.0605 22.2853 22.2853 26.2138 26.2138 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.5000 0.3049 ( 723 PWs) bands (ev): 3.9108 3.9108 4.1817 4.1817 5.8423 5.8423 6.5010 6.5010 7.1226 7.1226 12.5503 12.5503 13.2577 13.2577 18.0919 18.0919 21.5854 21.5854 26.9372 26.9372 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9933 0.9933 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.5000 0.4291 ( 724 PWs) bands (ev): 3.9963 3.9963 4.2061 4.2061 5.7712 5.7712 6.4713 6.4713 7.0368 7.0368 12.3421 12.3421 14.0754 14.0754 17.4317 17.4317 19.7958 19.7958 29.2570 29.2570 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.5000 0.5534 ( 721 PWs) bands (ev): 4.0665 4.0665 4.2763 4.2763 5.6351 5.6351 6.4642 6.4642 6.9550 6.9550 12.1408 12.1408 14.9842 14.9842 17.3521 17.3521 18.4469 18.4469 31.1506 31.1506 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.5000 0.6776 ( 724 PWs) bands (ev): 4.0073 4.0073 4.2125 4.2125 5.7559 5.7559 6.4694 6.4694 7.0248 7.0248 12.3082 12.3082 14.1950 14.1950 17.4005 17.4005 19.6218 19.6218 29.4969 29.4969 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.5000 0.8018 ( 722 PWs) bands (ev): 3.9122 3.9122 4.1811 4.1811 5.8435 5.8435 6.4988 6.4988 7.1238 7.1238 12.6051 12.6051 13.2211 13.2211 18.0100 18.0100 21.4639 21.4639 27.0970 27.0970 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.7250 0.7250 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.5000-0.1920 ( 720 PWs) bands (ev): 3.9878 3.9878 4.2149 4.2149 5.7904 5.7904 6.4933 6.4933 6.9449 6.9449 11.8356 11.8356 14.2927 14.2927 19.0965 19.0965 21.5799 21.5799 25.8457 25.8457 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.5000-0.0678 ( 710 PWs) bands (ev): 4.1379 4.1379 4.3107 4.3107 5.7557 5.7557 6.3513 6.3513 6.6474 6.6474 11.4354 11.4354 15.7978 15.7978 19.5623 19.5623 20.8994 20.8994 23.9810 23.9810 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.5000 0.0565 ( 711 PWs) bands (ev): 4.1453 4.1453 4.3201 4.3201 5.7569 5.7569 6.3312 6.3312 6.6363 6.6363 11.4195 11.4195 15.9094 15.9094 19.4751 19.4751 20.9742 20.9742 23.8399 23.8399 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.5000 0.1807 ( 718 PWs) bands (ev): 4.0027 4.0027 4.2209 4.2209 5.7842 5.7842 6.4885 6.4885 6.9132 6.9132 11.7803 11.7803 14.4270 14.4270 19.2079 19.2079 21.4684 21.4684 25.6949 25.6949 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.6136 0.3557 ( 724 PWs) bands (ev): 4.0446 4.0446 4.3258 4.3258 5.8795 5.8795 6.2450 6.2450 6.8652 6.8652 11.5822 11.5822 15.1358 15.1358 16.0534 16.0534 22.5949 22.5949 26.9909 26.9909 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.6136 0.4800 ( 727 PWs) bands (ev): 4.1538 4.1538 4.3368 4.3368 5.7061 5.7061 6.3386 6.3386 6.6893 6.6893 11.0966 11.0966 14.7614 14.7614 17.3469 17.3469 20.9957 20.9957 29.5634 29.5634 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.6136 0.6042 ( 724 PWs) bands (ev): 4.1852 4.1852 4.3373 4.3373 5.6528 5.6528 6.3787 6.3787 6.6464 6.6464 11.0457 11.0457 14.6954 14.6954 17.6806 17.6806 20.6084 20.6084 30.3105 30.3105 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.6136 0.7284 ( 724 PWs) bands (ev): 4.0634 4.0634 4.3291 4.3291 5.8612 5.8612 6.2486 6.2486 6.8217 6.8217 11.3960 11.3960 15.0605 15.0605 16.3236 16.3236 22.2381 22.2381 27.6163 27.6163 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.6136 0.8526 ( 727 PWs) bands (ev): 4.0618 4.0618 4.3240 4.3240 5.8206 5.8206 6.2818 6.2818 6.9196 6.9196 12.3082 12.3082 14.6465 14.6465 16.3216 16.3216 22.4312 22.4312 25.5638 25.5638 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.6136-0.1412 ( 716 PWs) bands (ev): 4.2052 4.2052 4.3484 4.3484 5.7438 5.7438 6.2475 6.2475 6.8013 6.8013 13.4647 13.4647 14.1885 14.1885 17.5113 17.5113 20.2793 20.2793 23.4006 23.4006 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.6136-0.0169 ( 708 PWs) bands (ev): 4.3091 4.3091 4.3784 4.3784 5.8185 5.8185 6.0935 6.0935 6.6771 6.6771 13.3032 13.3032 15.5334 15.5334 17.8483 17.8483 19.0490 19.0490 21.9884 21.9884 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.6136 0.1073 ( 714 PWs) bands (ev): 4.2465 4.2465 4.3587 4.3587 5.7520 5.7520 6.2097 6.2097 6.7532 6.7532 13.4455 13.4455 14.5461 14.5461 17.8119 17.8119 19.6869 19.6869 22.8781 22.8781 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.6136 0.2315 ( 725 PWs) bands (ev): 4.0920 4.0920 4.3275 4.3275 5.7886 5.7886 6.2874 6.2874 6.9072 6.9072 12.6608 12.6608 14.3913 14.3913 16.6170 16.6170 21.9421 21.9421 24.9733 24.9733 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0419 0.0419 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.7272 0.4066 ( 725 PWs) bands (ev): 4.1892 4.1892 4.3814 4.3814 5.8089 5.8089 6.0727 6.0727 6.5604 6.5604 10.6302 10.6302 13.3304 13.3304 19.0244 19.0244 24.1727 24.1727 27.2473 27.2473 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.7272 0.5308 ( 720 PWs) bands (ev): 4.2810 4.2810 4.3317 4.3317 5.7253 5.7253 6.1363 6.1363 6.4011 6.4011 10.3916 10.3916 12.8895 12.8895 20.4974 20.4974 22.7653 22.7653 29.5683 29.5683 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.7272 0.6550 ( 723 PWs) bands (ev): 4.2220 4.2220 4.3698 4.3698 5.7940 5.7940 6.0677 6.0677 6.4769 6.4769 10.4760 10.4760 13.0583 13.0583 19.7672 19.7672 23.5360 23.5360 28.3927 28.3928 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.7272 0.7792 ( 731 PWs) bands (ev): 4.1809 4.1809 4.3782 4.3782 5.7321 5.7321 6.1615 6.1615 6.6798 6.6798 10.9450 10.9450 13.7920 13.7920 18.1648 18.1648 23.9733 23.9733 25.9416 25.9416 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.7272 0.9035 ( 718 PWs) bands (ev): 4.2232 4.2232 4.3597 4.3597 5.6489 5.6489 6.2122 6.2122 6.8753 6.8753 11.9794 11.9794 14.8763 14.8763 16.9057 16.9057 21.3101 21.3101 23.5862 23.5862 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.7272-0.0903 ( 717 PWs) bands (ev): 4.2646 4.2646 4.3361 4.3361 5.7734 5.7734 6.1324 6.1324 6.8976 6.8976 13.4493 13.4493 15.5769 15.5769 16.6745 16.6745 18.5881 18.5881 21.7500 21.7500 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.7272 0.0339 ( 726 PWs) bands (ev): 4.2806 4.2806 4.3199 4.3199 5.8546 5.8546 6.0797 6.0797 6.8819 6.8819 13.9598 13.9598 15.6066 15.6066 17.0020 17.0020 17.6797 17.6797 21.2974 21.2974 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.7272 0.1581 ( 719 PWs) bands (ev): 4.2438 4.2438 4.3515 4.3515 5.6823 5.6823 6.1869 6.1869 6.9051 6.9051 12.6298 12.6298 15.3325 15.3325 16.5958 16.5958 20.0020 20.0020 22.6534 22.6534 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.3000 0.3000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.7272 0.2823 ( 729 PWs) bands (ev): 4.1956 4.1956 4.3696 4.3696 5.6719 5.6719 6.2073 6.2073 6.7841 6.7841 11.3389 11.3389 14.2628 14.2628 17.5254 17.5254 22.8936 22.8936 24.8386 24.8386 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.8409 0.4574 ( 734 PWs) bands (ev): 4.0236 4.0236 4.3295 4.3295 5.6949 5.6949 6.1375 6.1375 6.5035 6.5035 9.6785 9.6785 12.2780 12.2780 22.5272 22.5272 25.9111 25.9111 27.2710 27.2710 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.8409 0.5816 ( 729 PWs) bands (ev): 3.9982 3.9982 4.3259 4.3259 5.7715 5.7715 6.0280 6.0280 6.4970 6.4970 9.5839 9.5839 12.0792 12.0792 23.4347 23.4347 25.1858 25.1858 28.4890 28.4890 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.8409 0.7058 ( 728 PWs) bands (ev): 4.0420 4.0420 4.3372 4.3372 5.6322 5.6322 6.2462 6.2462 6.5100 6.5100 9.7897 9.7897 12.4981 12.4981 21.8977 21.8977 25.4423 25.4423 27.2269 27.2269 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9999 0.9999 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.8409 0.8301 ( 723 PWs) bands (ev): 4.0402 4.0402 4.3657 4.3657 5.5542 5.5542 6.4216 6.4216 6.7166 6.7166 10.3727 10.3727 13.4185 13.4185 20.0854 20.0854 22.5774 22.5774 24.7674 24.7674 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.8409 0.9543 ( 721 PWs) bands (ev): 3.9824 3.9824 4.2998 4.2998 5.7516 5.7516 6.3844 6.3844 7.0226 7.0226 11.5220 11.5220 14.5429 14.5429 17.9059 17.9059 20.4822 20.4822 22.5248 22.5248 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.8409-0.0395 ( 729 PWs) bands (ev): 3.9436 3.9436 4.2203 4.2203 5.9756 5.9756 6.3575 6.3575 7.1237 7.1237 13.1411 13.1411 14.8786 14.8786 16.1234 16.1234 19.7058 19.7058 21.1409 21.1409 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.8409 0.0847 ( 724 PWs) bands (ev): 3.9527 3.9527 4.2408 4.2408 5.9163 5.9163 6.3633 6.3633 7.1064 7.1064 12.5495 12.5495 15.0078 15.0078 16.5255 16.5255 19.8602 19.8602 21.4923 21.4923 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9937 0.9937 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.8409 0.2089 ( 720 PWs) bands (ev): 4.0043 4.0043 4.3346 4.3346 5.6556 5.6556 6.4001 6.4001 6.9341 6.9341 11.0302 11.0302 14.1409 14.1409 18.7539 18.7539 21.0804 21.0804 23.2730 23.2730 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.8409 0.3332 ( 728 PWs) bands (ev): 4.0516 4.0516 4.3604 4.3604 5.5533 5.5533 6.4096 6.4096 6.5898 6.5898 10.1055 10.1055 13.0400 13.0400 20.7644 20.7644 23.6163 23.6163 25.6992 25.6992 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.2955-0.0508 ( 725 PWs) bands (ev): 3.6147 3.6147 4.2966 4.2966 5.7964 5.7964 6.0710 6.0710 6.7749 6.7749 8.3746 8.3746 12.5199 12.5199 25.7699 25.7699 26.9185 26.9185 27.7579 27.7579 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9993 0.9993 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.2955 0.0734 ( 727 PWs) bands (ev): 3.6261 3.6261 4.3044 4.3044 5.7725 5.7725 6.0942 6.0942 6.7734 6.7734 8.4085 8.4085 12.5724 12.5724 25.4465 25.4465 26.6341 26.6341 27.7753 27.7753 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9668 0.9668 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.2955 0.1976 ( 725 PWs) bands (ev): 3.6902 3.6902 4.3846 4.3846 5.6529 5.6529 6.2943 6.2943 6.7955 6.7955 8.7848 8.7848 13.1710 13.1710 22.6660 22.6660 24.7457 24.7457 26.6864 26.6864 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.2955 0.3219 ( 727 PWs) bands (ev): 3.6641 3.6641 4.3585 4.3585 5.8302 5.8302 6.4456 6.4456 6.9923 6.9923 9.5388 9.5388 14.1399 14.1399 19.3352 19.3352 23.2847 23.2847 24.2697 24.2697 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.2955 0.4461 ( 730 PWs) bands (ev): 3.5986 3.5986 4.2205 4.2205 6.1377 6.1377 6.5038 6.5038 7.2434 7.2434 10.9019 10.9019 14.7613 14.7613 16.6969 16.6969 21.8965 21.8965 22.7205 22.7205 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.2955-0.5477 ( 733 PWs) bands (ev): 3.5723 3.5723 4.1641 4.1641 6.2295 6.2295 6.5450 6.5450 7.3230 7.3230 12.1438 12.1438 13.7655 13.7655 16.4262 16.4262 21.2163 21.2163 22.3474 22.3474 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.2955-0.4235 ( 730 PWs) bands (ev): 3.6092 3.6092 4.2435 4.2435 6.0937 6.0937 6.4927 6.4927 7.2080 7.2080 10.6060 10.6060 14.7807 14.7807 17.0208 17.0208 22.1456 22.1456 22.8988 22.8988 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.2955-0.2993 ( 725 PWs) bands (ev): 3.6747 3.6747 4.3782 4.3782 5.7738 5.7738 6.4298 6.4298 6.9422 6.9422 9.3627 9.3627 13.9521 13.9521 19.9286 19.9286 23.5345 23.5345 24.6779 24.6779 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.2955-0.1750 ( 728 PWs) bands (ev): 3.6837 3.6837 4.3698 4.3698 5.6609 5.6609 6.2539 6.2539 6.7833 6.7833 8.6931 8.6931 13.0268 13.0268 23.2575 23.2575 25.0442 25.0442 27.1154 27.1154 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.1818 0.0000 ( 723 PWs) bands (ev): 3.4421 3.4421 4.2609 4.2609 5.7750 5.7750 6.0820 6.0820 6.9318 6.9318 7.3347 7.3347 13.5309 13.5309 26.2595 26.2595 27.8840 27.8840 28.6892 28.6892 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.1818 0.1242 ( 726 PWs) bands (ev): 3.5044 3.5044 4.3224 4.3224 5.7115 5.7115 6.1381 6.1381 6.8969 6.8969 7.5421 7.5421 13.8128 13.8128 24.0892 24.0892 27.6120 27.6120 28.0279 28.0279 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.1818 0.2485 ( 725 PWs) bands (ev): 3.5502 3.5502 4.4161 4.4161 5.7865 5.7865 6.2553 6.2553 6.9613 6.9613 8.0405 8.0405 14.5724 14.5724 20.6808 20.6808 25.8912 25.8912 26.7924 26.7924 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.1818 0.3727 ( 734 PWs) bands (ev): 3.5029 3.5029 4.3290 4.3290 6.1633 6.1633 6.3313 6.3313 7.1636 7.1636 9.0403 9.0403 15.3250 15.3250 17.6713 17.6713 23.7193 23.7193 25.1093 25.1093 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.1818 0.4969 ( 731 PWs) bands (ev): 3.4485 3.4485 4.2156 4.2156 6.3160 6.3160 6.4739 6.4739 7.3163 7.3163 10.7427 10.7427 13.7329 13.7329 17.4075 17.4075 22.0002 22.0002 24.2601 24.2601 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.0682 0.0508 ( 730 PWs) bands (ev): 3.6441 3.6441 4.2749 4.2749 5.4749 5.4749 6.0608 6.0608 6.5388 6.5388 7.2680 7.2680 15.0795 15.0795 25.3557 25.3557 26.9555 26.9555 28.1058 28.1058 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.0682 0.1750 ( 729 PWs) bands (ev): 3.7311 3.7311 4.3541 4.3541 5.4774 5.4774 6.2233 6.2233 6.5797 6.5797 7.4382 7.4382 15.5764 15.5764 22.2198 22.2198 25.4895 25.4895 28.6165 28.6165 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.0682 0.2993 ( 725 PWs) bands (ev): 3.7270 3.7270 4.4087 4.4087 5.6714 5.6714 6.3354 6.3354 6.8289 6.8289 7.9979 7.9979 16.4053 16.4053 18.9024 18.9024 24.1565 24.1565 26.4719 26.4719 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.0682 0.4235 ( 728 PWs) bands (ev): 3.6608 3.6608 4.3425 4.3425 5.8962 5.8962 6.4304 6.4304 7.0403 7.0403 9.3499 9.3499 15.1424 15.1424 18.2033 18.2033 23.1282 23.1282 24.1876 24.1876 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.0682 0.5477 ( 729 PWs) bands (ev): 3.6236 3.6236 4.2946 4.2946 5.9571 5.9571 6.5131 6.5131 7.1100 7.1100 10.9915 10.9915 12.9151 12.9151 19.0093 19.0093 22.5008 22.5008 23.1023 23.1023 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.0682-0.4461 ( 730 PWs) bands (ev): 3.6501 3.6501 4.3290 4.3290 5.9176 5.9176 6.4520 6.4520 7.0622 7.0622 9.6732 9.6732 14.6484 14.6484 18.3908 18.3908 22.9815 22.9815 23.8596 23.8596 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.0682-0.3219 ( 728 PWs) bands (ev): 3.7163 3.7163 4.4021 4.4021 5.7218 5.7218 6.3483 6.3483 6.8794 6.8794 8.1801 8.1801 16.4958 16.4958 18.4157 18.4157 23.9420 23.9420 26.0206 26.0206 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.0682-0.1976 ( 731 PWs) bands (ev): 3.7397 3.7397 4.3734 4.3734 5.4948 5.4948 6.2544 6.2544 6.6082 6.6082 7.4982 7.4982 15.7163 15.7163 21.5927 21.5927 25.2320 25.2320 28.3690 28.3690 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.0682-0.0734 ( 728 PWs) bands (ev): 3.6583 3.6583 4.2826 4.2826 5.4707 5.4707 6.0805 6.0805 6.5394 6.5394 7.2836 7.2836 15.1311 15.1311 24.8837 24.8837 26.7027 26.7027 28.2537 28.2537 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.0454 0.1016 ( 725 PWs) bands (ev): 4.0785 4.0785 4.2971 4.2971 5.1726 5.1726 6.0820 6.0820 6.4094 6.4094 7.2940 7.2940 17.0324 17.0324 23.2982 23.2982 24.7557 24.7557 27.5483 27.5483 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.0454 0.2259 ( 725 PWs) bands (ev): 4.1077 4.1077 4.3270 4.3270 5.3206 5.3206 6.2490 6.2490 6.5709 6.5709 7.5704 7.5704 17.6524 17.6524 20.4663 20.4663 22.8099 22.8099 29.1911 29.1911 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.0454 0.3501 ( 722 PWs) bands (ev): 4.0704 4.0704 4.3674 4.3674 5.4798 5.4798 6.2877 6.2877 6.7914 6.7914 8.5529 8.5529 17.0315 17.0315 18.8735 18.8735 21.6733 21.6733 26.8518 26.8518 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.0454 0.4743 ( 724 PWs) bands (ev): 4.0311 4.0311 4.3635 4.3635 5.5770 5.5770 6.3848 6.3848 6.8262 6.8262 10.1813 10.1813 14.2984 14.2984 19.4984 19.4984 21.6583 21.6583 24.5746 24.5746 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.0454 0.5985 ( 724 PWs) bands (ev): 4.0239 4.0239 4.3602 4.3602 5.5887 5.5887 6.4163 6.4163 6.8218 6.8218 10.7437 10.7437 13.5583 13.5583 19.5551 19.5551 21.9463 21.9463 23.9727 23.9727 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.0454-0.3953 ( 725 PWs) bands (ev): 4.0538 4.0538 4.3691 4.3691 5.5271 5.5271 6.3160 6.3160 6.8180 6.8180 9.0992 9.0992 15.9929 15.9929 19.1601 19.1601 21.4951 21.4951 25.9672 25.9672 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.0454-0.2710 ( 727 PWs) bands (ev): 4.0984 4.0984 4.3469 4.3469 5.3789 5.3789 6.2637 6.2637 6.6767 6.6767 7.8270 7.8270 17.9004 17.9004 19.3781 19.3781 22.3093 22.3093 28.4477 28.4477 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.0454-0.1468 ( 727 PWs) bands (ev): 4.0974 4.0974 4.3005 4.3005 5.2235 5.2235 6.1570 6.1570 6.4315 6.4315 7.3475 7.3475 17.2141 17.2141 22.3811 22.3811 23.9386 23.9386 28.2810 28.2810 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.0454-0.0226 ( 726 PWs) bands (ev): 4.0527 4.0527 4.2996 4.2996 5.1162 5.1162 6.0095 6.0095 6.4021 6.4021 7.2579 7.2579 16.8685 16.8685 24.3638 24.3638 25.8058 25.8058 26.9346 26.9346 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.1591 0.1525 ( 724 PWs) bands (ev): 4.1220 4.1220 4.2129 4.2129 5.6869 5.6869 6.1263 6.1263 6.6391 6.6391 7.3376 7.3376 18.8607 18.8607 21.0096 21.0096 23.0526 23.0526 27.2688 27.2688 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.1591 0.2767 ( 730 PWs) bands (ev): 4.1182 4.1182 4.2208 4.2208 5.7893 5.7893 6.1467 6.1467 6.8355 6.8355 8.0775 8.0775 18.1821 18.1821 19.8189 19.8189 21.2419 21.2419 28.8215 28.8216 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.1591 0.4009 ( 724 PWs) bands (ev): 4.1621 4.1621 4.3014 4.3014 5.7247 5.7247 6.1747 6.1747 6.8084 6.8084 9.5559 9.5559 16.1304 16.1304 18.4127 18.4127 21.9251 21.9251 27.4789 27.4789 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.1591 0.5251 ( 730 PWs) bands (ev): 4.1940 4.1940 4.3649 4.3649 5.6934 5.6934 6.1881 6.1881 6.7551 6.7551 11.0390 11.0390 14.2065 14.2065 17.8008 17.8008 23.2417 23.2417 25.4488 25.4488 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.1591 0.6494 ( 727 PWs) bands (ev): 4.1833 4.1833 4.3448 4.3448 5.7020 5.7020 6.1829 6.1829 6.7744 6.7744 10.4508 10.4508 14.9322 14.9322 17.9804 17.9804 22.6643 22.6643 26.2361 26.2361 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.1591-0.3444 ( 726 PWs) bands (ev): 4.1413 4.1413 4.2594 4.2594 5.7537 5.7537 6.1659 6.1659 6.8326 6.8326 8.8302 8.8302 17.1611 17.1611 18.9652 18.9652 21.4409 21.4409 28.4814 28.4814 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.1591-0.2202 ( 725 PWs) bands (ev): 4.1097 4.1097 4.2065 4.2065 5.7908 5.7908 6.1248 6.1248 6.7861 6.7861 7.6175 7.6175 18.6862 18.6862 20.3882 20.3882 21.7960 21.7960 28.3203 28.3203 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.1591-0.0960 ( 726 PWs) bands (ev): 4.1402 4.1402 4.2432 4.2432 5.5174 5.5174 6.1623 6.1623 6.5111 6.5111 7.2623 7.2623 18.8377 18.8377 21.6437 21.6437 23.8228 23.8228 26.9301 26.9301 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.1591 0.0282 ( 725 PWs) bands (ev): 4.1514 4.1514 4.2903 4.2903 5.3535 5.3535 6.2108 6.2108 6.4181 6.4181 7.2380 7.2380 18.7951 18.7951 22.3289 22.3289 23.7921 23.7921 27.5677 27.5677 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.3409 0.2541 ( 727 PWs) bands (ev): 3.8299 3.8299 4.0227 4.0227 5.9266 5.9266 6.6945 6.6945 7.2925 7.2925 10.6460 10.6460 14.1576 14.1576 20.4836 20.4836 21.8006 21.8006 26.1213 26.1213 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.3409 0.3783 ( 725 PWs) bands (ev): 3.8751 3.8751 4.0710 4.0710 5.8938 5.8938 6.6310 6.6310 7.2138 7.2138 11.8492 11.8492 13.3115 13.3115 19.2933 19.2933 21.4908 21.4908 26.7410 26.7410 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.3409 0.5026 ( 722 PWs) bands (ev): 3.9325 3.9325 4.2347 4.2347 5.8096 5.8096 6.4271 6.4271 7.1017 7.1017 12.6320 12.6320 13.5483 13.5483 17.5238 17.5238 21.6523 21.6523 27.0050 27.0050 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.2673 0.2673 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.3409 0.6268 ( 721 PWs) bands (ev): 3.9298 3.9298 4.2216 4.2216 5.8164 5.8164 6.4418 6.4418 7.1069 7.1069 12.6265 12.6265 13.4696 13.4696 17.6459 17.6459 21.6383 21.6383 26.9898 26.9898 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.3520 0.3520 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.3409 0.7510 ( 725 PWs) bands (ev): 3.8676 3.8676 4.0604 4.0604 5.8999 5.8999 6.6460 6.6460 7.2280 7.2280 11.7245 11.7245 13.3622 13.3622 19.4610 19.4610 21.4893 21.4893 26.6988 26.6988 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.3409-0.2428 ( 728 PWs) bands (ev): 3.8324 3.8324 4.0249 4.0249 5.9252 5.9252 6.6888 6.6888 7.2856 7.2856 10.5663 10.5663 14.2609 14.2609 20.5094 20.5094 21.8284 21.8284 26.1120 26.1120 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.3409-0.1186 ( 720 PWs) bands (ev): 3.9009 3.9009 4.1322 4.1322 5.8422 5.8422 6.5041 6.5041 7.1305 7.1305 10.0547 10.0547 15.5596 15.5596 20.1371 20.1371 21.5662 21.5662 26.9706 26.9706 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.3409 0.0056 ( 721 PWs) bands (ev): 3.9302 3.9302 4.2580 4.2580 5.7282 5.7282 6.3667 6.3667 7.0691 7.0691 9.9553 9.9553 16.3845 16.3845 19.4007 19.4007 21.4948 21.4948 27.3812 27.3812 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.3409 0.1299 ( 720 PWs) bands (ev): 3.8949 3.8949 4.1161 4.1161 5.8552 5.8552 6.5267 6.5267 7.1435 7.1435 10.0783 10.0783 15.4377 15.4377 20.2220 20.2220 21.5927 21.5927 26.8872 26.8872 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.4545 0.3049 ( 722 PWs) bands (ev): 3.8578 3.8578 4.0536 4.0536 5.9059 5.9059 6.6605 6.6605 7.2401 7.2401 11.6006 11.6006 13.4195 13.4195 19.6244 19.6244 21.4920 21.4920 26.6499 26.6499 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.4545 0.4291 ( 720 PWs) bands (ev): 3.9242 3.9242 4.1217 4.1217 5.8454 5.8454 6.5182 6.5182 7.1554 7.1554 11.1094 11.1094 14.5552 14.5552 19.0400 19.0400 20.3526 20.3526 28.5612 28.5612 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.4545 0.5534 ( 719 PWs) bands (ev): 3.9595 3.9595 4.2469 4.2469 5.7069 5.7069 6.4216 6.4216 7.0979 7.0979 10.9686 10.9686 15.4356 15.4356 18.5624 18.5624 19.5799 19.5799 29.2921 29.2921 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.4545 0.6776 ( 718 PWs) bands (ev): 3.9305 3.9305 4.1354 4.1354 5.8310 5.8310 6.5032 6.5032 7.1461 7.1461 11.0842 11.0842 14.6694 14.6694 18.9904 18.9904 20.2299 20.2299 28.7712 28.7712 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.4545 0.8018 ( 723 PWs) bands (ev): 3.8598 3.8598 4.0541 4.0541 5.9072 5.9072 6.6531 6.6531 7.2392 7.2392 11.5410 11.5410 13.4998 13.4998 19.5647 19.5647 21.4499 21.4499 26.7261 26.7261 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.4545-0.1920 ( 719 PWs) bands (ev): 3.9094 3.9094 4.0967 4.0967 5.8517 5.8517 6.6440 6.6440 7.1179 7.1179 12.0088 12.0088 13.3081 13.3081 19.9732 19.9732 21.1704 21.1704 26.8607 26.8607 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.4545-0.0678 ( 721 PWs) bands (ev): 3.9964 3.9964 4.2483 4.2483 5.7803 5.7803 6.4222 6.4222 6.9553 6.9553 11.8529 11.8529 14.5021 14.5021 18.5665 18.5665 21.9585 21.9585 25.5747 25.5747 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.4545 0.0565 ( 721 PWs) bands (ev): 4.0003 4.0003 4.2609 4.2609 5.7765 5.7765 6.4026 6.4026 6.9493 6.9493 11.8421 11.8421 14.6001 14.6001 18.4492 18.4492 22.0403 22.0403 25.4605 25.4605 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.4545 0.1807 ( 718 PWs) bands (ev): 3.9193 3.9193 4.1066 4.1066 5.8442 5.8442 6.6317 6.6317 7.0976 7.0976 12.0050 12.0050 13.3874 13.3874 19.9069 19.9069 21.1782 21.1782 26.8274 26.8274 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.5682 0.3557 ( 723 PWs) bands (ev): 4.0157 4.0157 4.2035 4.2035 5.9120 5.9120 6.3545 6.3545 6.9336 6.9336 10.4062 10.4062 15.6269 15.6269 17.5444 17.5444 22.3026 22.3026 26.8672 26.8672 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.5682 0.4800 ( 721 PWs) bands (ev): 4.1086 4.1086 4.2520 4.2520 5.7347 5.7347 6.3478 6.3478 6.7882 6.7882 9.9555 9.9555 16.0291 16.0291 18.0949 18.0949 21.2158 21.2158 28.9126 28.9126 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.5682 0.6042 ( 726 PWs) bands (ev): 4.1249 4.1249 4.2738 4.2738 5.6731 5.6731 6.3626 6.3626 6.7629 6.7629 9.9112 9.9112 16.0280 16.0280 18.3703 18.3703 20.8602 20.8602 29.6936 29.6936 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.5682 0.7284 ( 725 PWs) bands (ev): 4.0359 4.0359 4.2093 4.2093 5.8974 5.8974 6.3346 6.3346 6.8923 6.8923 10.2286 10.2286 15.8361 15.8361 17.5424 17.5424 22.1790 22.1790 27.1871 27.1871 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.5682 0.8526 ( 723 PWs) bands (ev): 4.0219 4.0219 4.2099 4.2099 5.8512 5.8512 6.4100 6.4100 6.9925 6.9925 11.1266 11.1266 14.8995 14.8995 17.9963 17.9963 21.4864 21.4864 26.9801 26.9801 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.5682-0.1412 ( 720 PWs) bands (ev): 4.1361 4.1361 4.2740 4.2740 5.7473 5.7473 6.3611 6.3611 6.9008 6.9008 12.6053 12.6053 14.1050 14.1050 18.5515 18.5515 19.8402 19.8402 24.9614 24.9614 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.7219 0.7219 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.5682-0.0169 ( 720 PWs) bands (ev): 4.2048 4.2048 4.3523 4.3523 5.7498 5.7498 6.2270 6.2270 6.8114 6.8114 13.4761 13.4761 14.2816 14.2816 17.1178 17.1178 20.6947 20.6947 23.3182 23.3182 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.5682 0.1073 ( 720 PWs) bands (ev): 4.1650 4.1650 4.3010 4.3010 5.7385 5.7385 6.3215 6.3215 6.8651 6.8651 13.0174 13.0174 14.0076 14.0076 18.1516 18.1516 20.0082 20.0082 24.3795 24.3795 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.5682 0.2315 ( 722 PWs) bands (ev): 4.0464 4.0464 4.2206 4.2206 5.8165 5.8165 6.4132 6.4132 6.9840 6.9840 11.4874 11.4874 14.6373 14.6373 18.2546 18.2546 20.9238 20.9238 26.5928 26.5928 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.6818 0.4066 ( 726 PWs) bands (ev): 4.1805 4.1805 4.3472 4.3472 5.8010 5.8010 6.0754 6.0754 6.5739 6.5739 9.7552 9.7552 14.4734 14.4734 19.2591 19.2591 23.9170 23.9170 27.0034 27.0034 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.6818 0.5308 ( 726 PWs) bands (ev): 4.2662 4.2662 4.3176 4.3176 5.6780 5.6780 6.1375 6.1375 6.4149 6.4149 9.5073 9.5073 14.0829 14.0829 20.7209 20.7209 22.8697 22.8697 29.2280 29.2280 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.6818 0.6550 ( 725 PWs) bands (ev): 4.2138 4.2138 4.3416 4.3416 5.7605 5.7605 6.0777 6.0777 6.4869 6.4869 9.5953 9.5953 14.2319 14.2319 19.9937 19.9937 23.5588 23.5588 27.8135 27.8135 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.6818 0.7792 ( 728 PWs) bands (ev): 4.1685 4.1685 4.3449 4.3449 5.7434 5.7434 6.1543 6.1543 6.7042 6.7042 10.0812 10.0812 14.8838 14.8838 18.4157 18.4157 23.2039 23.2039 26.9156 26.9156 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.6818 0.9035 ( 718 PWs) bands (ev): 4.2022 4.2022 4.3491 4.3491 5.6470 5.6470 6.2059 6.2059 6.9065 6.9065 11.1464 11.1464 15.7524 15.7524 17.2697 17.2697 20.5807 20.5807 24.6461 24.6461 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.6818-0.0903 ( 713 PWs) bands (ev): 4.2445 4.2445 4.3495 4.3495 5.7083 5.7083 6.1629 6.1629 6.9229 6.9229 12.6538 12.6538 15.7573 15.7573 17.0387 17.0387 18.7667 18.7667 22.5488 22.5488 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0681 0.0681 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.6818 0.0339 ( 717 PWs) bands (ev): 4.2597 4.2597 4.3404 4.3404 5.7490 5.7490 6.1437 6.1437 6.9061 6.9061 13.2050 13.2050 15.5960 15.5960 16.7088 16.7088 18.7783 18.7783 21.9828 21.9828 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.6818 0.1581 ( 719 PWs) bands (ev): 4.2219 4.2219 4.3537 4.3537 5.6578 5.6578 6.1909 6.1909 6.9334 6.9334 11.8107 11.8107 15.9044 15.9044 17.1293 17.1293 19.4955 19.4955 23.6032 23.6032 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.6818 0.2823 ( 725 PWs) bands (ev): 4.1790 4.1790 4.3439 4.3439 5.6836 5.6836 6.1976 6.1976 6.8152 6.8152 10.4883 10.4883 15.2925 15.2925 17.8024 17.8024 22.0484 22.0484 25.9933 25.9933 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.7954 0.4574 ( 734 PWs) bands (ev): 4.0236 4.0236 4.3295 4.3295 5.6949 5.6949 6.1375 6.1375 6.5035 6.5035 9.6785 9.6785 12.2780 12.2780 22.5272 22.5272 25.9111 25.9111 27.2710 27.2710 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.7954 0.5816 ( 729 PWs) bands (ev): 3.9982 3.9982 4.3259 4.3259 5.7715 5.7715 6.0280 6.0280 6.4970 6.4970 9.5839 9.5839 12.0792 12.0792 23.4347 23.4347 25.1858 25.1858 28.4890 28.4890 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.7954 0.7058 ( 728 PWs) bands (ev): 4.0420 4.0420 4.3372 4.3372 5.6322 5.6322 6.2462 6.2462 6.5100 6.5100 9.7897 9.7897 12.4981 12.4981 21.8977 21.8977 25.4423 25.4423 27.2269 27.2269 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9999 0.9999 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.7954 0.8301 ( 723 PWs) bands (ev): 4.0402 4.0402 4.3657 4.3657 5.5542 5.5542 6.4216 6.4216 6.7166 6.7166 10.3727 10.3727 13.4185 13.4185 20.0854 20.0854 22.5774 22.5774 24.7674 24.7674 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.7954 0.9543 ( 721 PWs) bands (ev): 3.9824 3.9824 4.2998 4.2998 5.7516 5.7516 6.3844 6.3844 7.0226 7.0226 11.5220 11.5220 14.5429 14.5429 17.9059 17.9059 20.4822 20.4822 22.5248 22.5248 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.7954-0.0395 ( 729 PWs) bands (ev): 3.9436 3.9436 4.2203 4.2203 5.9756 5.9756 6.3575 6.3575 7.1237 7.1237 13.1411 13.1411 14.8786 14.8786 16.1234 16.1234 19.7058 19.7058 21.1409 21.1409 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.7954 0.0847 ( 724 PWs) bands (ev): 3.9527 3.9527 4.2408 4.2408 5.9163 5.9163 6.3633 6.3633 7.1064 7.1064 12.5495 12.5495 15.0078 15.0078 16.5255 16.5255 19.8602 19.8602 21.4923 21.4923 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9937 0.9937 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.7954 0.2089 ( 720 PWs) bands (ev): 4.0043 4.0043 4.3346 4.3346 5.6556 5.6556 6.4001 6.4001 6.9341 6.9341 11.0302 11.0302 14.1409 14.1409 18.7539 18.7539 21.0804 21.0804 23.2730 23.2730 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.7954 0.3332 ( 728 PWs) bands (ev): 4.0516 4.0516 4.3604 4.3604 5.5533 5.5533 6.4096 6.4096 6.5898 6.5898 10.1055 10.1055 13.0400 13.0400 20.7644 20.7644 23.6163 23.6163 25.6992 25.6992 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.9091 0.5082 ( 724 PWs) bands (ev): 3.5989 3.5989 4.3040 4.3040 5.8462 5.8462 6.0733 6.0733 6.8692 6.8692 9.9094 9.9094 10.5510 10.5510 25.6953 25.6953 27.0478 27.0478 28.0349 28.0349 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.9091 0.6324 ( 728 PWs) bands (ev): 3.6095 3.6095 4.3119 4.3119 5.8194 5.8194 6.0965 6.0965 6.8665 6.8665 9.9263 9.9263 10.6247 10.6247 25.4252 25.4252 27.0332 27.0332 27.7917 27.7918 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.9091 0.7567 ( 730 PWs) bands (ev): 3.6690 3.6690 4.3872 4.3872 5.6757 5.6757 6.3036 6.3036 6.8703 6.8703 10.1532 10.1532 11.4101 11.4101 23.2396 23.2396 24.9630 24.9630 25.4853 25.4853 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.9091 0.8809 ( 726 PWs) bands (ev): 3.6423 3.6423 4.3376 4.3376 5.8521 5.8521 6.4924 6.4924 7.0312 7.0312 10.7522 10.7522 12.5668 12.5668 19.9344 19.9344 23.0167 23.0167 23.4600 23.4600 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9777 0.9777 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.9091 1.0051 ( 732 PWs) bands (ev): 3.5771 3.5771 4.1752 4.1752 6.2039 6.2039 6.5445 6.5445 7.3042 7.3042 12.0139 12.0139 13.6743 13.6743 16.6852 16.6852 21.3227 21.3227 22.4040 22.4040 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.9091 0.0113 ( 742 PWs) bands (ev): 3.5508 3.5508 4.1109 4.1109 6.3283 6.3283 6.5648 6.5648 7.4037 7.4037 13.4397 13.4397 13.9342 13.9342 14.8360 14.8360 20.7004 20.7004 22.0879 22.0879 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.9091 0.1355 ( 730 PWs) bands (ev): 3.5877 3.5877 4.2015 4.2015 6.1494 6.1494 6.5388 6.5388 7.2620 7.2620 11.7261 11.7261 13.5029 13.5029 17.2377 17.2377 21.5750 21.5750 22.5419 22.5419 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.9091 0.2597 ( 730 PWs) bands (ev): 3.6529 3.6529 4.3625 4.3625 5.7923 5.7923 6.4707 6.4707 6.9846 6.9846 10.6024 10.6024 12.3460 12.3460 20.5589 20.5589 23.3693 23.3693 23.7437 23.7437 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.9091 0.3840 ( 726 PWs) bands (ev): 3.6631 3.6631 4.3745 4.3745 5.6881 5.6881 6.2595 6.2595 6.8635 6.8635 10.0916 10.0916 11.2286 11.2286 23.7445 23.7445 25.3718 25.3718 25.9328 25.9328 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.2273-0.0000 ( 720 PWs) bands (ev): 3.4225 3.4225 4.2778 4.2778 5.8907 5.8907 6.0814 6.0814 7.0862 7.0862 8.9320 8.9320 11.0683 11.0683 26.7406 26.7406 27.4812 27.4812 28.4714 28.4714 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.2273 0.1242 ( 722 PWs) bands (ev): 3.4755 3.4755 4.3372 4.3372 5.7927 5.7927 6.1494 6.1494 7.0491 7.0491 9.1583 9.1583 11.3587 11.3587 25.1452 25.1452 26.9073 26.9073 27.4894 27.4894 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.2273 0.2485 ( 724 PWs) bands (ev): 3.5122 3.5122 4.4029 4.4029 5.8112 5.8112 6.3163 6.3163 7.0628 7.0628 9.6754 9.6754 12.1798 12.1798 21.8072 21.8072 24.6026 24.6026 25.9480 25.9480 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.2273 0.3727 ( 733 PWs) bands (ev): 3.4640 3.4640 4.2601 4.2601 6.2057 6.2057 6.4598 6.4598 7.2512 7.2512 10.5571 10.5571 13.2699 13.2699 18.3220 18.3220 22.4014 22.4014 24.5155 24.5155 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.2273 0.4969 ( 743 PWs) bands (ev): 3.4098 3.4098 4.1110 4.1110 6.4554 6.4554 6.5789 6.5789 7.4753 7.4753 12.0735 12.0735 13.9432 13.9432 15.5433 15.5433 20.9751 20.9751 23.7147 23.7147 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.1136 0.0508 ( 725 PWs) bands (ev): 3.6147 3.6147 4.2966 4.2966 5.7964 5.7964 6.0710 6.0710 6.7749 6.7749 8.3746 8.3746 12.5199 12.5199 25.7699 25.7699 26.9185 26.9185 27.7579 27.7579 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9993 0.9993 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.1136 0.1750 ( 728 PWs) bands (ev): 3.6837 3.6837 4.3698 4.3698 5.6609 5.6609 6.2539 6.2539 6.7833 6.7833 8.6931 8.6931 13.0268 13.0268 23.2575 23.2575 25.0442 25.0442 27.1154 27.1154 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.1136 0.2993 ( 725 PWs) bands (ev): 3.6747 3.6747 4.3782 4.3782 5.7738 5.7738 6.4298 6.4298 6.9422 6.9422 9.3627 9.3627 13.9521 13.9521 19.9286 19.9286 23.5345 23.5345 24.6779 24.6779 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.1136 0.4235 ( 730 PWs) bands (ev): 3.6092 3.6092 4.2435 4.2435 6.0937 6.0937 6.4927 6.4927 7.2080 7.2080 10.6060 10.6060 14.7807 14.7807 17.0208 17.0208 22.1456 22.1456 22.8988 22.8988 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.1136 0.5477 ( 733 PWs) bands (ev): 3.5723 3.5723 4.1641 4.1641 6.2295 6.2295 6.5450 6.5450 7.3230 7.3230 12.1438 12.1438 13.7655 13.7655 16.4262 16.4262 21.2163 21.2163 22.3474 22.3474 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.1136-0.4461 ( 730 PWs) bands (ev): 3.5986 3.5986 4.2205 4.2205 6.1377 6.1377 6.5038 6.5038 7.2434 7.2434 10.9019 10.9019 14.7613 14.7613 16.6969 16.6969 21.8965 21.8965 22.7205 22.7205 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.1136-0.3219 ( 727 PWs) bands (ev): 3.6641 3.6641 4.3585 4.3585 5.8302 5.8302 6.4456 6.4456 6.9923 6.9923 9.5388 9.5388 14.1399 14.1399 19.3352 19.3352 23.2847 23.2847 24.2697 24.2697 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.1136-0.1976 ( 725 PWs) bands (ev): 3.6902 3.6902 4.3846 4.3846 5.6529 5.6529 6.2943 6.2943 6.7955 6.7955 8.7848 8.7848 13.1710 13.1710 22.6660 22.6660 24.7457 24.7457 26.6864 26.6864 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.1136-0.0734 ( 727 PWs) bands (ev): 3.6261 3.6261 4.3044 4.3044 5.7725 5.7725 6.0942 6.0942 6.7734 6.7734 8.4085 8.4085 12.5724 12.5724 25.4465 25.4465 26.6341 26.6341 27.7753 27.7753 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9668 0.9668 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.0000 0.1016 ( 727 PWs) bands (ev): 4.0481 4.0481 4.3185 4.3185 5.5542 5.5542 6.1109 6.1109 6.4419 6.4419 8.2957 8.2957 14.4461 14.4461 22.8713 22.8713 25.2903 25.2903 27.1381 27.1381 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.0000 0.2259 ( 731 PWs) bands (ev): 4.0750 4.0750 4.3513 4.3513 5.4953 5.4953 6.3241 6.3241 6.5914 6.5914 8.7086 8.7086 15.1323 15.1323 20.8478 20.8478 22.7037 22.7037 27.4263 27.4263 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.0000 0.3501 ( 721 PWs) bands (ev): 4.0302 4.0302 4.3584 4.3584 5.5920 5.5920 6.3252 6.3252 6.9167 6.9167 9.6831 9.6831 16.0710 16.0710 18.2774 18.2774 20.9934 20.9934 24.8438 24.8438 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.0000 0.4743 ( 720 PWs) bands (ev): 3.9837 3.9837 4.3022 4.3022 5.7561 5.7561 6.3620 6.3620 7.0360 7.0360 11.2353 11.2353 15.1484 15.1484 17.5720 17.5720 20.3625 20.3625 22.7373 22.7373 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.0000 0.5985 ( 723 PWs) bands (ev): 3.9755 3.9755 4.2884 4.2884 5.7851 5.7851 6.3813 6.3813 7.0433 7.0433 11.7766 11.7766 14.4821 14.4821 17.7311 17.7311 20.3715 20.3715 22.2553 22.2553 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.0000-0.3953 ( 721 PWs) bands (ev): 4.0103 4.0103 4.3396 4.3396 5.6589 5.6589 6.3305 6.3305 6.9837 6.9837 10.2000 10.2000 16.1803 16.1803 17.5616 17.5616 20.6425 20.6425 23.9943 23.9943 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.0000-0.2710 ( 726 PWs) bands (ev): 4.0638 4.0638 4.3646 4.3646 5.5077 5.5077 6.3300 6.3300 6.7243 6.7243 8.9855 8.9855 15.4737 15.4737 19.9435 19.9435 21.9417 21.9417 26.4649 26.4649 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.0000-0.1468 ( 727 PWs) bands (ev): 4.0662 4.0662 4.3249 4.3249 5.5262 5.5262 6.2111 6.2111 6.4557 6.4557 8.3983 8.3983 14.6431 14.6431 22.1979 22.1979 24.3706 24.3706 27.7404 27.7404 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.0000-0.0226 ( 729 PWs) bands (ev): 4.0229 4.0229 4.3171 4.3171 5.5838 5.5838 6.0107 6.0107 6.4373 6.4373 8.2122 8.2122 14.2692 14.2692 23.8009 23.8009 25.4105 25.4105 27.6938 27.6938 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.1136 0.1525 ( 724 PWs) bands (ev): 4.1569 4.1569 4.2683 4.2683 5.7707 5.7707 6.0921 6.0921 6.6079 6.6079 8.4375 8.4375 16.5743 16.5743 19.9331 19.9331 23.4118 23.4118 26.9900 26.9900 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.1136 0.2767 ( 727 PWs) bands (ev): 4.1450 4.1450 4.2769 4.2769 5.7278 5.7278 6.1817 6.1817 6.8627 6.8627 9.1584 9.1584 17.0115 17.0115 18.6676 18.6676 21.0637 21.0637 27.9423 27.9423 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.1136 0.4009 ( 719 PWs) bands (ev): 4.1873 4.1873 4.3304 4.3304 5.6514 5.6514 6.2007 6.2007 6.9375 6.9375 10.5417 10.5417 16.4178 16.4178 17.7833 17.7833 19.9248 19.9248 25.4365 25.4365 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.1136 0.5251 ( 716 PWs) bands (ev): 4.2299 4.2299 4.3544 4.3544 5.6515 5.6515 6.2028 6.2028 6.8939 6.8939 11.9831 11.9831 15.0915 15.0915 16.8676 16.8676 20.9389 20.9389 23.5344 23.5344 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.1136 0.6494 ( 718 PWs) bands (ev): 4.2140 4.2140 4.3498 4.3498 5.6470 5.6470 6.2010 6.2010 6.9142 6.9142 11.4124 11.4124 15.6667 15.6667 17.1323 17.1323 20.4575 20.4575 24.2464 24.2464 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.1136-0.3444 ( 724 PWs) bands (ev): 4.1655 4.1655 4.3045 4.3045 5.6750 5.6750 6.1992 6.1992 6.9304 6.9304 9.8489 9.8489 16.8551 16.8551 18.3051 18.3051 20.0106 20.0106 26.5479 26.5479 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.1136-0.2202 ( 726 PWs) bands (ev): 4.1397 4.1397 4.2661 4.2661 5.7755 5.7755 6.1416 6.1416 6.7550 6.7550 8.7430 8.7430 16.8501 16.8501 19.1553 19.1553 22.2254 22.2254 27.8359 27.8359 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.1136-0.0960 ( 726 PWs) bands (ev): 4.1859 4.1859 4.2805 4.2805 5.6665 5.6665 6.1123 6.1123 6.5097 6.5097 8.3050 8.3050 16.3899 16.3899 20.6399 20.6399 23.6429 23.6429 27.2104 27.2104 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.1136 0.0282 ( 725 PWs) bands (ev): 4.2113 4.2113 4.3002 4.3002 5.5452 5.5452 6.1617 6.1617 6.4377 6.4377 8.2389 8.2389 16.2721 16.2721 21.3568 21.3568 23.1981 23.1981 28.3856 28.3856 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.2273 0.2033 ( 726 PWs) bands (ev): 3.9637 3.9637 4.1132 4.1132 5.9495 5.9495 6.4368 6.4368 7.0392 7.0392 9.1098 9.1098 16.4413 16.4413 19.5554 19.5554 22.0411 22.0411 26.8111 26.8111 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.2273 0.3275 ( 726 PWs) bands (ev): 3.9818 3.9818 4.1356 4.1356 5.8963 5.8963 6.4746 6.4746 7.0666 7.0666 10.2376 10.2376 15.3172 15.3172 19.4530 19.4530 20.7891 20.7891 27.8723 27.8723 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.2273 0.4517 ( 722 PWs) bands (ev): 4.0597 4.0597 4.2621 4.2621 5.8176 5.8176 6.3495 6.3495 6.9568 6.9568 11.8254 11.8254 14.6322 14.6322 17.2559 17.2559 21.7570 21.7570 26.1426 26.1426 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.2273 0.5760 ( 728 PWs) bands (ev): 4.0846 4.0846 4.3351 4.3351 5.8070 5.8070 6.2551 6.2551 6.9169 6.9169 12.6121 12.6121 14.5743 14.5743 16.1184 16.1184 22.4864 22.4864 25.1077 25.1077 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.6103 0.6103 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.2273 0.7002 ( 724 PWs) bands (ev): 4.0418 4.0418 4.2212 4.2212 5.8323 5.8323 6.3954 6.3954 6.9853 6.9853 11.3902 11.3902 14.7559 14.7559 17.8656 17.8656 21.4162 21.4162 26.7044 26.7044 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.2273-0.2936 ( 729 PWs) bands (ev): 3.9639 3.9639 4.1190 4.1190 5.9218 5.9218 6.4812 6.4812 7.0826 7.0826 9.8592 9.8592 15.5952 15.5952 19.7285 19.7285 20.9320 20.9320 27.7005 27.7005 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.2273-0.1694 ( 724 PWs) bands (ev): 3.9803 3.9803 4.1273 4.1273 5.9255 5.9255 6.4059 6.4059 6.9972 6.9972 8.9377 8.9377 16.7664 16.7664 19.4907 19.4907 22.2103 22.2103 26.8560 26.8560 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.2273-0.0452 ( 719 PWs) bands (ev): 4.0293 4.0293 4.2569 4.2569 5.6709 5.6709 6.3518 6.3518 6.8763 6.8763 8.6722 8.6722 17.6057 17.6057 19.7602 19.7602 21.4179 21.4179 28.9728 28.9728 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.2273 0.0791 ( 720 PWs) bands (ev): 4.0221 4.0221 4.2190 4.2190 5.7421 5.7421 6.3558 6.3558 6.8968 6.8968 8.7044 8.7044 17.4648 17.4648 19.6127 19.6127 21.7139 21.7139 28.2303 28.2303 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 the Fermi energy is 12.6182 ev ! total energy = -99.66018182 Ry Harris-Foulkes estimate = -99.66018182 Ry estimated scf accuracy < 4.6E-09 Ry The total energy is the sum of the following terms: one-electron contribution = -4.61287466 Ry hartree contribution = 14.28041900 Ry xc contribution = -32.00067080 Ry ewald contribution = -77.32702178 Ry smearing contrib. (-TS) = -0.00003358 Ry convergence has been achieved in 8 iterations Writing output data file Hg.save init_run : 2.19s CPU 2.42s WALL ( 1 calls) electrons : 92.94s CPU 96.93s WALL ( 1 calls) Called by init_run: wfcinit : 2.10s CPU 2.24s WALL ( 1 calls) potinit : 0.01s CPU 0.01s WALL ( 1 calls) Called by electrons: c_bands : 80.90s CPU 84.63s WALL ( 9 calls) sum_band : 11.86s CPU 12.09s WALL ( 9 calls) v_of_rho : 0.02s CPU 0.02s WALL ( 9 calls) v_h : 0.00s CPU 0.00s WALL ( 9 calls) v_xc : 0.02s CPU 0.02s WALL ( 9 calls) newd : 0.14s CPU 0.15s WALL ( 9 calls) mix_rho : 0.01s CPU 0.01s WALL ( 9 calls) Called by c_bands: init_us_2 : 0.13s CPU 0.13s WALL ( 9975 calls) cegterg : 79.42s CPU 82.09s WALL ( 4725 calls) Called by sum_band: sum_band:bec : 4.58s CPU 4.62s WALL ( 4725 calls) addusdens : 0.07s CPU 0.07s WALL ( 9 calls) Called by *egterg: h_psi : 39.27s CPU 41.05s WALL ( 20006 calls) s_psi : 1.24s CPU 1.17s WALL ( 20006 calls) g_psi : 0.07s CPU 0.06s WALL ( 14756 calls) cdiaghg : 34.81s CPU 35.75s WALL ( 18956 calls) cegterg:over : 1.84s CPU 1.94s WALL ( 14756 calls) cegterg:upda : 1.51s CPU 1.45s WALL ( 14756 calls) cegterg:last : 0.58s CPU 0.61s WALL ( 4831 calls) cdiaghg:chol : 2.00s CPU 2.00s WALL ( 18956 calls) cdiaghg:inve : 0.40s CPU 0.43s WALL ( 18956 calls) cdiaghg:para : 2.72s CPU 2.64s WALL ( 37912 calls) Called by h_psi: h_psi:vloc : 36.40s CPU 38.05s WALL ( 20006 calls) h_psi:vnl : 2.81s CPU 2.94s WALL ( 20006 calls) add_vuspsi : 1.42s CPU 1.58s WALL ( 20006 calls) General routines calbec : 1.65s CPU 1.66s WALL ( 24731 calls) fft : 0.05s CPU 0.04s WALL ( 273 calls) ffts : 0.00s CPU 0.00s WALL ( 72 calls) fftw : 39.59s CPU 41.22s WALL ( 1323280 calls) interpolate : 0.02s CPU 0.01s WALL ( 72 calls) Parallel routines fft_scatter : 22.45s CPU 23.53s WALL ( 1323625 calls) PWSCF : 1m41.72s CPU 1m54.52s WALL This run was terminated on: 19:41:24 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=