Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18:12:29 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./FeTe2.save/ file Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized file Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 5P 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 38 29 8 1492 1003 160 Max 39 30 9 1499 1024 167 Sum 1387 1073 319 53833 36555 5901 bravais-lattice index = 14 lattice parameter (alat) = 7.2736 a.u. unit-cell volume = 868.2804 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 238.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.273555 celldm(2)= 1.387373 celldm(3)= 1.626396 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.387373 0.000000 ) a(3) = ( 0.000000 0.000000 1.626396 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.720787 -0.000000 ) b(3) = ( 0.000000 0.000000 0.614856 ) PseudoPot. # 1 for Fe read from file: /users/gautes/Pseudo/Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1f786298b0c3f78d6037ec413201e537 Pseudo is Ultrasoft + core correction, Zval = 8.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1191 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Te read from file: /users/gautes/Pseudo/Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d7fe42880ce6991a805b4693d1f2335c Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1245 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 Fe 8.00 55.84500 Fe( 1.00) Te 6.00 127.60000 Te( 1.00) 8 Sym. Ops., with inversion, found ( 4 have fractional translation) 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 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.6936867 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.8131982 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( -0.5000000 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.6936867 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -0.8131982 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 inversion cryst. s( 5) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 5) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 6) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( -0.5000000 ) cart. s( 6) = ( 1.0000000 0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.6936867 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -0.8131982 ) isym = 7 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 7) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 7) = ( 1.0000000 -0.0000000 0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.6936867 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.8131982 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_2h (mmm) there are 10 classes and 2 irreducible representations the character table: E -E C2 C2' C2'' i -i s_v s_v' s_v'' -C2 -C2' -C2'' -s_v -s_v' -s_v' G_5+ 2.00 -2.00 0.00 0.00 0.00 2.00 -2.00 0.00 0.00 0.00 G_5- 2.00 -2.00 0.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] C2' -C2' 3 -3 180 deg rotation - cart. axis [0,1,0] C2'' -C2'' 4 -4 180 deg rotation - cart. axis [1,0,0] i 5 inversion -i -5 inversion E s_v -s_v 6 -6 inv. 180 deg rotation - cart. axis [0,0,1] s_v'-s_v' 7 -7 inv. 180 deg rotation - cart. axis [0,1,0] s_v''-s_v' 8 -8 inv. 180 deg rotation - cart. axis [1,0,0] Cartesian axes number of k points= 400 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025000 k( 2) = ( 0.0121951 -0.0000000 -0.0000000), wk = 0.0025000 k( 3) = ( 0.0243902 -0.0000000 -0.0000000), wk = 0.0025000 k( 4) = ( 0.0365854 -0.0000000 -0.0000000), wk = 0.0025000 k( 5) = ( 0.0487805 -0.0000000 -0.0000000), wk = 0.0025000 k( 6) = ( 0.0609756 -0.0000000 -0.0000000), wk = 0.0025000 k( 7) = ( 0.0731707 -0.0000000 -0.0000000), wk = 0.0025000 k( 8) = ( 0.0853658 -0.0000000 -0.0000000), wk = 0.0025000 k( 9) = ( 0.0975610 -0.0000000 -0.0000000), wk = 0.0025000 k( 10) = ( 0.1097561 -0.0000000 -0.0000000), wk = 0.0025000 k( 11) = ( 0.1219512 -0.0000000 -0.0000000), wk = 0.0025000 k( 12) = ( 0.1341463 -0.0000000 -0.0000000), wk = 0.0025000 k( 13) = ( 0.1463415 -0.0000000 -0.0000000), wk = 0.0025000 k( 14) = ( 0.1585366 -0.0000000 -0.0000000), wk = 0.0025000 k( 15) = ( 0.1707317 -0.0000000 -0.0000000), wk = 0.0025000 k( 16) = ( 0.1829268 -0.0000000 -0.0000000), wk = 0.0025000 k( 17) = ( 0.1951219 -0.0000000 -0.0000000), wk = 0.0025000 k( 18) = ( 0.2073171 -0.0000000 -0.0000000), wk = 0.0025000 k( 19) = ( 0.2195122 -0.0000000 -0.0000000), wk = 0.0025000 k( 20) = ( 0.2317073 -0.0000000 -0.0000000), wk = 0.0025000 k( 21) = ( 0.2439024 -0.0000000 -0.0000000), wk = 0.0025000 k( 22) = ( 0.2560976 -0.0000000 -0.0000000), wk = 0.0025000 k( 23) = ( 0.2682927 -0.0000000 -0.0000000), wk = 0.0025000 k( 24) = ( 0.2804878 -0.0000000 -0.0000000), wk = 0.0025000 k( 25) = ( 0.2926829 -0.0000000 -0.0000000), wk = 0.0025000 k( 26) = ( 0.3048781 -0.0000000 -0.0000000), wk = 0.0025000 k( 27) = ( 0.3170732 -0.0000000 -0.0000000), wk = 0.0025000 k( 28) = ( 0.3292683 -0.0000000 -0.0000000), wk = 0.0025000 k( 29) = ( 0.3414634 -0.0000000 -0.0000000), wk = 0.0025000 k( 30) = ( 0.3536585 -0.0000000 -0.0000000), wk = 0.0025000 k( 31) = ( 0.3658537 -0.0000000 -0.0000000), wk = 0.0025000 k( 32) = ( 0.3780488 -0.0000000 -0.0000000), wk = 0.0025000 k( 33) = ( 0.3902439 -0.0000000 -0.0000000), wk = 0.0025000 k( 34) = ( 0.4024390 -0.0000000 -0.0000000), wk = 0.0025000 k( 35) = ( 0.4146341 -0.0000000 -0.0000000), wk = 0.0025000 k( 36) = ( 0.4268293 -0.0000000 -0.0000000), wk = 0.0025000 k( 37) = ( 0.4390244 -0.0000000 -0.0000000), wk = 0.0025000 k( 38) = ( 0.4512195 -0.0000000 -0.0000000), wk = 0.0025000 k( 39) = ( 0.4634146 -0.0000000 -0.0000000), wk = 0.0025000 k( 40) = ( 0.4756098 -0.0000000 -0.0000000), wk = 0.0025000 k( 41) = ( 0.4878049 -0.0000000 -0.0000000), wk = 0.0025000 k( 42) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0025000 k( 43) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0025000 k( 44) = ( 0.5000000 0.0120131 -0.0000000), wk = 0.0025000 k( 45) = ( 0.5000000 0.0240262 -0.0000000), wk = 0.0025000 k( 46) = ( 0.5000000 0.0360393 -0.0000000), wk = 0.0025000 k( 47) = ( 0.5000000 0.0480524 -0.0000000), wk = 0.0025000 k( 48) = ( 0.5000000 0.0600655 -0.0000000), wk = 0.0025000 k( 49) = ( 0.5000000 0.0720787 -0.0000000), wk = 0.0025000 k( 50) = ( 0.5000000 0.0840918 -0.0000000), wk = 0.0025000 k( 51) = ( 0.5000000 0.0961049 -0.0000000), wk = 0.0025000 k( 52) = ( 0.5000000 0.1081180 -0.0000000), wk = 0.0025000 k( 53) = ( 0.5000000 0.1201311 -0.0000000), wk = 0.0025000 k( 54) = ( 0.5000000 0.1321442 -0.0000000), wk = 0.0025000 k( 55) = ( 0.5000000 0.1441573 -0.0000000), wk = 0.0025000 k( 56) = ( 0.5000000 0.1561704 -0.0000000), wk = 0.0025000 k( 57) = ( 0.5000000 0.1681835 -0.0000000), wk = 0.0025000 k( 58) = ( 0.5000000 0.1801966 -0.0000000), wk = 0.0025000 k( 59) = ( 0.5000000 0.1922097 -0.0000000), wk = 0.0025000 k( 60) = ( 0.5000000 0.2042228 -0.0000000), wk = 0.0025000 k( 61) = ( 0.5000000 0.2162360 -0.0000000), wk = 0.0025000 k( 62) = ( 0.5000000 0.2282491 -0.0000000), wk = 0.0025000 k( 63) = ( 0.5000000 0.2402622 -0.0000000), wk = 0.0025000 k( 64) = ( 0.5000000 0.2522753 -0.0000000), wk = 0.0025000 k( 65) = ( 0.5000000 0.2642884 -0.0000000), wk = 0.0025000 k( 66) = ( 0.5000000 0.2763015 -0.0000000), wk = 0.0025000 k( 67) = ( 0.5000000 0.2883146 -0.0000000), wk = 0.0025000 k( 68) = ( 0.5000000 0.3003277 -0.0000000), wk = 0.0025000 k( 69) = ( 0.5000000 0.3123408 -0.0000000), wk = 0.0025000 k( 70) = ( 0.5000000 0.3243539 -0.0000000), wk = 0.0025000 k( 71) = ( 0.5000000 0.3363670 -0.0000000), wk = 0.0025000 k( 72) = ( 0.5000000 0.3483801 -0.0000000), wk = 0.0025000 k( 73) = ( 0.5000000 0.3603933 -0.0000000), wk = 0.0025000 k( 74) = ( 0.5000000 0.3603933 -0.0000000), wk = 0.0025000 k( 75) = ( 0.4878049 0.3603933 -0.0000000), wk = 0.0025000 k( 76) = ( 0.4756098 0.3603933 -0.0000000), wk = 0.0025000 k( 77) = ( 0.4634146 0.3603933 -0.0000000), wk = 0.0025000 k( 78) = ( 0.4512195 0.3603933 -0.0000000), wk = 0.0025000 k( 79) = ( 0.4390244 0.3603933 -0.0000000), wk = 0.0025000 k( 80) = ( 0.4268293 0.3603933 -0.0000000), wk = 0.0025000 k( 81) = ( 0.4146341 0.3603933 -0.0000000), wk = 0.0025000 k( 82) = ( 0.4024390 0.3603933 -0.0000000), wk = 0.0025000 k( 83) = ( 0.3902439 0.3603933 -0.0000000), wk = 0.0025000 k( 84) = ( 0.3780488 0.3603933 -0.0000000), wk = 0.0025000 k( 85) = ( 0.3658537 0.3603933 -0.0000000), wk = 0.0025000 k( 86) = ( 0.3536585 0.3603933 -0.0000000), wk = 0.0025000 k( 87) = ( 0.3414634 0.3603933 -0.0000000), wk = 0.0025000 k( 88) = ( 0.3292683 0.3603933 -0.0000000), wk = 0.0025000 k( 89) = ( 0.3170732 0.3603933 -0.0000000), wk = 0.0025000 k( 90) = ( 0.3048781 0.3603933 -0.0000000), wk = 0.0025000 k( 91) = ( 0.2926829 0.3603933 -0.0000000), wk = 0.0025000 k( 92) = ( 0.2804878 0.3603933 -0.0000000), wk = 0.0025000 k( 93) = ( 0.2682927 0.3603933 -0.0000000), wk = 0.0025000 k( 94) = ( 0.2560976 0.3603933 -0.0000000), wk = 0.0025000 k( 95) = ( 0.2439024 0.3603933 -0.0000000), wk = 0.0025000 k( 96) = ( 0.2317073 0.3603933 -0.0000000), wk = 0.0025000 k( 97) = ( 0.2195122 0.3603933 -0.0000000), wk = 0.0025000 k( 98) = ( 0.2073171 0.3603933 -0.0000000), wk = 0.0025000 k( 99) = ( 0.1951219 0.3603933 -0.0000000), wk = 0.0025000 k( 100) = ( 0.1829268 0.3603933 -0.0000000), wk = 0.0025000 k( 101) = ( 0.1707317 0.3603933 -0.0000000), wk = 0.0025000 k( 102) = ( 0.1585366 0.3603933 -0.0000000), wk = 0.0025000 k( 103) = ( 0.1463415 0.3603933 -0.0000000), wk = 0.0025000 k( 104) = ( 0.1341463 0.3603933 -0.0000000), wk = 0.0025000 k( 105) = ( 0.1219512 0.3603933 -0.0000000), wk = 0.0025000 k( 106) = ( 0.1097561 0.3603933 -0.0000000), wk = 0.0025000 k( 107) = ( 0.0975610 0.3603933 -0.0000000), wk = 0.0025000 k( 108) = ( 0.0853658 0.3603933 -0.0000000), wk = 0.0025000 k( 109) = ( 0.0731707 0.3603933 -0.0000000), wk = 0.0025000 k( 110) = ( 0.0609756 0.3603933 -0.0000000), wk = 0.0025000 k( 111) = ( 0.0487805 0.3603933 -0.0000000), wk = 0.0025000 k( 112) = ( 0.0365854 0.3603933 -0.0000000), wk = 0.0025000 k( 113) = ( 0.0243902 0.3603933 -0.0000000), wk = 0.0025000 k( 114) = ( 0.0121951 0.3603933 -0.0000000), wk = 0.0025000 k( 115) = ( 0.0000000 0.3603933 -0.0000000), wk = 0.0025000 k( 116) = ( 0.0000000 0.3603933 -0.0000000), wk = 0.0025000 k( 117) = ( 0.0000000 0.3483801 -0.0000000), wk = 0.0025000 k( 118) = ( 0.0000000 0.3363670 -0.0000000), wk = 0.0025000 k( 119) = ( 0.0000000 0.3243539 -0.0000000), wk = 0.0025000 k( 120) = ( 0.0000000 0.3123408 -0.0000000), wk = 0.0025000 k( 121) = ( 0.0000000 0.3003277 -0.0000000), wk = 0.0025000 k( 122) = ( 0.0000000 0.2883146 -0.0000000), wk = 0.0025000 k( 123) = ( 0.0000000 0.2763015 -0.0000000), wk = 0.0025000 k( 124) = ( 0.0000000 0.2642884 -0.0000000), wk = 0.0025000 k( 125) = ( 0.0000000 0.2522753 -0.0000000), wk = 0.0025000 k( 126) = ( 0.0000000 0.2402622 -0.0000000), wk = 0.0025000 k( 127) = ( 0.0000000 0.2282491 -0.0000000), wk = 0.0025000 k( 128) = ( 0.0000000 0.2162360 -0.0000000), wk = 0.0025000 k( 129) = ( 0.0000000 0.2042228 -0.0000000), wk = 0.0025000 k( 130) = ( 0.0000000 0.1922097 -0.0000000), wk = 0.0025000 k( 131) = ( 0.0000000 0.1801966 -0.0000000), wk = 0.0025000 k( 132) = ( 0.0000000 0.1681835 -0.0000000), wk = 0.0025000 k( 133) = ( 0.0000000 0.1561704 -0.0000000), wk = 0.0025000 k( 134) = ( 0.0000000 0.1441573 -0.0000000), wk = 0.0025000 k( 135) = ( 0.0000000 0.1321442 -0.0000000), wk = 0.0025000 k( 136) = ( 0.0000000 0.1201311 -0.0000000), wk = 0.0025000 k( 137) = ( 0.0000000 0.1081180 -0.0000000), wk = 0.0025000 k( 138) = ( 0.0000000 0.0961049 -0.0000000), wk = 0.0025000 k( 139) = ( 0.0000000 0.0840918 -0.0000000), wk = 0.0025000 k( 140) = ( 0.0000000 0.0720787 -0.0000000), wk = 0.0025000 k( 141) = ( 0.0000000 0.0600655 -0.0000000), wk = 0.0025000 k( 142) = ( 0.0000000 0.0480524 -0.0000000), wk = 0.0025000 k( 143) = ( 0.0000000 0.0360393 -0.0000000), wk = 0.0025000 k( 144) = ( 0.0000000 0.0240262 -0.0000000), wk = 0.0025000 k( 145) = ( 0.0000000 0.0120131 -0.0000000), wk = 0.0025000 k( 146) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025000 k( 147) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025000 k( 148) = ( 0.0000000 0.0000000 0.0118242), wk = 0.0025000 k( 149) = ( 0.0000000 0.0000000 0.0236483), wk = 0.0025000 k( 150) = ( 0.0000000 0.0000000 0.0354725), wk = 0.0025000 k( 151) = ( 0.0000000 0.0000000 0.0472966), wk = 0.0025000 k( 152) = ( 0.0000000 0.0000000 0.0591208), wk = 0.0025000 k( 153) = ( 0.0000000 0.0000000 0.0709450), wk = 0.0025000 k( 154) = ( 0.0000000 0.0000000 0.0827691), wk = 0.0025000 k( 155) = ( 0.0000000 0.0000000 0.0945933), wk = 0.0025000 k( 156) = ( 0.0000000 0.0000000 0.1064174), wk = 0.0025000 k( 157) = ( 0.0000000 0.0000000 0.1182416), wk = 0.0025000 k( 158) = ( 0.0000000 0.0000000 0.1300657), wk = 0.0025000 k( 159) = ( 0.0000000 0.0000000 0.1418899), wk = 0.0025000 k( 160) = ( 0.0000000 0.0000000 0.1537141), wk = 0.0025000 k( 161) = ( 0.0000000 0.0000000 0.1655382), wk = 0.0025000 k( 162) = ( 0.0000000 0.0000000 0.1773624), wk = 0.0025000 k( 163) = ( 0.0000000 0.0000000 0.1891865), wk = 0.0025000 k( 164) = ( 0.0000000 0.0000000 0.2010107), wk = 0.0025000 k( 165) = ( 0.0000000 0.0000000 0.2128349), wk = 0.0025000 k( 166) = ( 0.0000000 0.0000000 0.2246590), wk = 0.0025000 k( 167) = ( 0.0000000 0.0000000 0.2364832), wk = 0.0025000 k( 168) = ( 0.0000000 0.0000000 0.2483073), wk = 0.0025000 k( 169) = ( 0.0000000 0.0000000 0.2601315), wk = 0.0025000 k( 170) = ( 0.0000000 0.0000000 0.2719556), wk = 0.0025000 k( 171) = ( 0.0000000 0.0000000 0.2837798), wk = 0.0025000 k( 172) = ( 0.0000000 0.0000000 0.2956040), wk = 0.0025000 k( 173) = ( 0.0000000 0.0000000 0.3074281), wk = 0.0025000 k( 174) = ( 0.0000000 0.0000000 0.3074281), wk = 0.0025000 k( 175) = ( 0.0121951 -0.0000000 0.3074281), wk = 0.0025000 k( 176) = ( 0.0243902 -0.0000000 0.3074281), wk = 0.0025000 k( 177) = ( 0.0365854 -0.0000000 0.3074281), wk = 0.0025000 k( 178) = ( 0.0487805 -0.0000000 0.3074281), wk = 0.0025000 k( 179) = ( 0.0609756 -0.0000000 0.3074281), wk = 0.0025000 k( 180) = ( 0.0731707 -0.0000000 0.3074281), wk = 0.0025000 k( 181) = ( 0.0853658 -0.0000000 0.3074281), wk = 0.0025000 k( 182) = ( 0.0975610 -0.0000000 0.3074281), wk = 0.0025000 k( 183) = ( 0.1097561 -0.0000000 0.3074281), wk = 0.0025000 k( 184) = ( 0.1219512 -0.0000000 0.3074281), wk = 0.0025000 k( 185) = ( 0.1341463 -0.0000000 0.3074281), wk = 0.0025000 k( 186) = ( 0.1463415 -0.0000000 0.3074281), wk = 0.0025000 k( 187) = ( 0.1585366 -0.0000000 0.3074281), wk = 0.0025000 k( 188) = ( 0.1707317 -0.0000000 0.3074281), wk = 0.0025000 k( 189) = ( 0.1829268 -0.0000000 0.3074281), wk = 0.0025000 k( 190) = ( 0.1951219 -0.0000000 0.3074281), wk = 0.0025000 k( 191) = ( 0.2073171 -0.0000000 0.3074281), wk = 0.0025000 k( 192) = ( 0.2195122 -0.0000000 0.3074281), wk = 0.0025000 k( 193) = ( 0.2317073 -0.0000000 0.3074281), wk = 0.0025000 k( 194) = ( 0.2439024 -0.0000000 0.3074281), wk = 0.0025000 k( 195) = ( 0.2560976 -0.0000000 0.3074281), wk = 0.0025000 k( 196) = ( 0.2682927 -0.0000000 0.3074281), wk = 0.0025000 k( 197) = ( 0.2804878 -0.0000000 0.3074281), wk = 0.0025000 k( 198) = ( 0.2926829 -0.0000000 0.3074281), wk = 0.0025000 k( 199) = ( 0.3048781 -0.0000000 0.3074281), wk = 0.0025000 k( 200) = ( 0.3170732 -0.0000000 0.3074281), wk = 0.0025000 k( 201) = ( 0.3292683 -0.0000000 0.3074281), wk = 0.0025000 k( 202) = ( 0.3414634 -0.0000000 0.3074281), wk = 0.0025000 k( 203) = ( 0.3536585 -0.0000000 0.3074281), wk = 0.0025000 k( 204) = ( 0.3658537 -0.0000000 0.3074281), wk = 0.0025000 k( 205) = ( 0.3780488 -0.0000000 0.3074281), wk = 0.0025000 k( 206) = ( 0.3902439 -0.0000000 0.3074281), wk = 0.0025000 k( 207) = ( 0.4024390 -0.0000000 0.3074281), wk = 0.0025000 k( 208) = ( 0.4146341 -0.0000000 0.3074281), wk = 0.0025000 k( 209) = ( 0.4268293 -0.0000000 0.3074281), wk = 0.0025000 k( 210) = ( 0.4390244 -0.0000000 0.3074281), wk = 0.0025000 k( 211) = ( 0.4512195 -0.0000000 0.3074281), wk = 0.0025000 k( 212) = ( 0.4634146 -0.0000000 0.3074281), wk = 0.0025000 k( 213) = ( 0.4756098 -0.0000000 0.3074281), wk = 0.0025000 k( 214) = ( 0.4878049 -0.0000000 0.3074281), wk = 0.0025000 k( 215) = ( 0.5000000 -0.0000000 0.3074281), wk = 0.0025000 k( 216) = ( 0.5000000 -0.0000000 0.3074281), wk = 0.0025000 k( 217) = ( 0.5000000 0.0120131 0.3074281), wk = 0.0025000 k( 218) = ( 0.5000000 0.0240262 0.3074281), wk = 0.0025000 k( 219) = ( 0.5000000 0.0360393 0.3074281), wk = 0.0025000 k( 220) = ( 0.5000000 0.0480524 0.3074281), wk = 0.0025000 k( 221) = ( 0.5000000 0.0600655 0.3074281), wk = 0.0025000 k( 222) = ( 0.5000000 0.0720787 0.3074281), wk = 0.0025000 k( 223) = ( 0.5000000 0.0840918 0.3074281), wk = 0.0025000 k( 224) = ( 0.5000000 0.0961049 0.3074281), wk = 0.0025000 k( 225) = ( 0.5000000 0.1081180 0.3074281), wk = 0.0025000 k( 226) = ( 0.5000000 0.1201311 0.3074281), wk = 0.0025000 k( 227) = ( 0.5000000 0.1321442 0.3074281), wk = 0.0025000 k( 228) = ( 0.5000000 0.1441573 0.3074281), wk = 0.0025000 k( 229) = ( 0.5000000 0.1561704 0.3074281), wk = 0.0025000 k( 230) = ( 0.5000000 0.1681835 0.3074281), wk = 0.0025000 k( 231) = ( 0.5000000 0.1801966 0.3074281), wk = 0.0025000 k( 232) = ( 0.5000000 0.1922097 0.3074281), wk = 0.0025000 k( 233) = ( 0.5000000 0.2042228 0.3074281), wk = 0.0025000 k( 234) = ( 0.5000000 0.2162360 0.3074281), wk = 0.0025000 k( 235) = ( 0.5000000 0.2282491 0.3074281), wk = 0.0025000 k( 236) = ( 0.5000000 0.2402622 0.3074281), wk = 0.0025000 k( 237) = ( 0.5000000 0.2522753 0.3074281), wk = 0.0025000 k( 238) = ( 0.5000000 0.2642884 0.3074281), wk = 0.0025000 k( 239) = ( 0.5000000 0.2763015 0.3074281), wk = 0.0025000 k( 240) = ( 0.5000000 0.2883146 0.3074281), wk = 0.0025000 k( 241) = ( 0.5000000 0.3003277 0.3074281), wk = 0.0025000 k( 242) = ( 0.5000000 0.3123408 0.3074281), wk = 0.0025000 k( 243) = ( 0.5000000 0.3243539 0.3074281), wk = 0.0025000 k( 244) = ( 0.5000000 0.3363670 0.3074281), wk = 0.0025000 k( 245) = ( 0.5000000 0.3483801 0.3074281), wk = 0.0025000 k( 246) = ( 0.5000000 0.3603933 0.3074281), wk = 0.0025000 k( 247) = ( 0.5000000 0.3603933 0.3074281), wk = 0.0025000 k( 248) = ( 0.4878049 0.3603933 0.3074281), wk = 0.0025000 k( 249) = ( 0.4756098 0.3603933 0.3074281), wk = 0.0025000 k( 250) = ( 0.4634146 0.3603933 0.3074281), wk = 0.0025000 k( 251) = ( 0.4512195 0.3603933 0.3074281), wk = 0.0025000 k( 252) = ( 0.4390244 0.3603933 0.3074281), wk = 0.0025000 k( 253) = ( 0.4268293 0.3603933 0.3074281), wk = 0.0025000 k( 254) = ( 0.4146341 0.3603933 0.3074281), wk = 0.0025000 k( 255) = ( 0.4024390 0.3603933 0.3074281), wk = 0.0025000 k( 256) = ( 0.3902439 0.3603933 0.3074281), wk = 0.0025000 k( 257) = ( 0.3780488 0.3603933 0.3074281), wk = 0.0025000 k( 258) = ( 0.3658537 0.3603933 0.3074281), wk = 0.0025000 k( 259) = ( 0.3536585 0.3603933 0.3074281), wk = 0.0025000 k( 260) = ( 0.3414634 0.3603933 0.3074281), wk = 0.0025000 k( 261) = ( 0.3292683 0.3603933 0.3074281), wk = 0.0025000 k( 262) = ( 0.3170732 0.3603933 0.3074281), wk = 0.0025000 k( 263) = ( 0.3048781 0.3603933 0.3074281), wk = 0.0025000 k( 264) = ( 0.2926829 0.3603933 0.3074281), wk = 0.0025000 k( 265) = ( 0.2804878 0.3603933 0.3074281), wk = 0.0025000 k( 266) = ( 0.2682927 0.3603933 0.3074281), wk = 0.0025000 k( 267) = ( 0.2560976 0.3603933 0.3074281), wk = 0.0025000 k( 268) = ( 0.2439024 0.3603933 0.3074281), wk = 0.0025000 k( 269) = ( 0.2317073 0.3603933 0.3074281), wk = 0.0025000 k( 270) = ( 0.2195122 0.3603933 0.3074281), wk = 0.0025000 k( 271) = ( 0.2073171 0.3603933 0.3074281), wk = 0.0025000 k( 272) = ( 0.1951219 0.3603933 0.3074281), wk = 0.0025000 k( 273) = ( 0.1829268 0.3603933 0.3074281), wk = 0.0025000 k( 274) = ( 0.1707317 0.3603933 0.3074281), wk = 0.0025000 k( 275) = ( 0.1585366 0.3603933 0.3074281), wk = 0.0025000 k( 276) = ( 0.1463415 0.3603933 0.3074281), wk = 0.0025000 k( 277) = ( 0.1341463 0.3603933 0.3074281), wk = 0.0025000 k( 278) = ( 0.1219512 0.3603933 0.3074281), wk = 0.0025000 k( 279) = ( 0.1097561 0.3603933 0.3074281), wk = 0.0025000 k( 280) = ( 0.0975610 0.3603933 0.3074281), wk = 0.0025000 k( 281) = ( 0.0853658 0.3603933 0.3074281), wk = 0.0025000 k( 282) = ( 0.0731707 0.3603933 0.3074281), wk = 0.0025000 k( 283) = ( 0.0609756 0.3603933 0.3074281), wk = 0.0025000 k( 284) = ( 0.0487805 0.3603933 0.3074281), wk = 0.0025000 k( 285) = ( 0.0365854 0.3603933 0.3074281), wk = 0.0025000 k( 286) = ( 0.0243902 0.3603933 0.3074281), wk = 0.0025000 k( 287) = ( 0.0121951 0.3603933 0.3074281), wk = 0.0025000 k( 288) = ( 0.0000000 0.3603933 0.3074281), wk = 0.0025000 k( 289) = ( 0.0000000 0.3603933 0.3074281), wk = 0.0025000 k( 290) = ( 0.0000000 0.3483801 0.3074281), wk = 0.0025000 k( 291) = ( 0.0000000 0.3363670 0.3074281), wk = 0.0025000 k( 292) = ( 0.0000000 0.3243539 0.3074281), wk = 0.0025000 k( 293) = ( 0.0000000 0.3123408 0.3074281), wk = 0.0025000 k( 294) = ( 0.0000000 0.3003277 0.3074281), wk = 0.0025000 k( 295) = ( 0.0000000 0.2883146 0.3074281), wk = 0.0025000 k( 296) = ( 0.0000000 0.2763015 0.3074281), wk = 0.0025000 k( 297) = ( 0.0000000 0.2642884 0.3074281), wk = 0.0025000 k( 298) = ( 0.0000000 0.2522753 0.3074281), wk = 0.0025000 k( 299) = ( 0.0000000 0.2402622 0.3074281), wk = 0.0025000 k( 300) = ( 0.0000000 0.2282491 0.3074281), wk = 0.0025000 k( 301) = ( 0.0000000 0.2162360 0.3074281), wk = 0.0025000 k( 302) = ( 0.0000000 0.2042228 0.3074281), wk = 0.0025000 k( 303) = ( 0.0000000 0.1922097 0.3074281), wk = 0.0025000 k( 304) = ( 0.0000000 0.1801966 0.3074281), wk = 0.0025000 k( 305) = ( 0.0000000 0.1681835 0.3074281), wk = 0.0025000 k( 306) = ( 0.0000000 0.1561704 0.3074281), wk = 0.0025000 k( 307) = ( 0.0000000 0.1441573 0.3074281), wk = 0.0025000 k( 308) = ( 0.0000000 0.1321442 0.3074281), wk = 0.0025000 k( 309) = ( 0.0000000 0.1201311 0.3074281), wk = 0.0025000 k( 310) = ( 0.0000000 0.1081180 0.3074281), wk = 0.0025000 k( 311) = ( 0.0000000 0.0961049 0.3074281), wk = 0.0025000 k( 312) = ( 0.0000000 0.0840918 0.3074281), wk = 0.0025000 k( 313) = ( 0.0000000 0.0720787 0.3074281), wk = 0.0025000 k( 314) = ( 0.0000000 0.0600655 0.3074281), wk = 0.0025000 k( 315) = ( 0.0000000 0.0480524 0.3074281), wk = 0.0025000 k( 316) = ( 0.0000000 0.0360393 0.3074281), wk = 0.0025000 k( 317) = ( 0.0000000 0.0240262 0.3074281), wk = 0.0025000 k( 318) = ( 0.0000000 0.0120131 0.3074281), wk = 0.0025000 k( 319) = ( 0.0000000 0.0000000 0.3074281), wk = 0.0025000 k( 320) = ( 0.0000000 0.3603933 -0.0000000), wk = 0.0025000 k( 321) = ( 0.0000000 0.3603933 0.0118242), wk = 0.0025000 k( 322) = ( 0.0000000 0.3603933 0.0236483), wk = 0.0025000 k( 323) = ( 0.0000000 0.3603933 0.0354725), wk = 0.0025000 k( 324) = ( 0.0000000 0.3603933 0.0472966), wk = 0.0025000 k( 325) = ( 0.0000000 0.3603933 0.0591208), wk = 0.0025000 k( 326) = ( 0.0000000 0.3603933 0.0709450), wk = 0.0025000 k( 327) = ( 0.0000000 0.3603933 0.0827691), wk = 0.0025000 k( 328) = ( 0.0000000 0.3603933 0.0945933), wk = 0.0025000 k( 329) = ( 0.0000000 0.3603933 0.1064174), wk = 0.0025000 k( 330) = ( 0.0000000 0.3603933 0.1182416), wk = 0.0025000 k( 331) = ( 0.0000000 0.3603933 0.1300657), wk = 0.0025000 k( 332) = ( 0.0000000 0.3603933 0.1418899), wk = 0.0025000 k( 333) = ( 0.0000000 0.3603933 0.1537141), wk = 0.0025000 k( 334) = ( 0.0000000 0.3603933 0.1655382), wk = 0.0025000 k( 335) = ( 0.0000000 0.3603933 0.1773624), wk = 0.0025000 k( 336) = ( 0.0000000 0.3603933 0.1891865), wk = 0.0025000 k( 337) = ( 0.0000000 0.3603933 0.2010107), wk = 0.0025000 k( 338) = ( 0.0000000 0.3603933 0.2128349), wk = 0.0025000 k( 339) = ( 0.0000000 0.3603933 0.2246590), wk = 0.0025000 k( 340) = ( 0.0000000 0.3603933 0.2364832), wk = 0.0025000 k( 341) = ( 0.0000000 0.3603933 0.2483073), wk = 0.0025000 k( 342) = ( 0.0000000 0.3603933 0.2601315), wk = 0.0025000 k( 343) = ( 0.0000000 0.3603933 0.2719556), wk = 0.0025000 k( 344) = ( 0.0000000 0.3603933 0.2837798), wk = 0.0025000 k( 345) = ( 0.0000000 0.3603933 0.2956040), wk = 0.0025000 k( 346) = ( 0.0000000 0.3603933 0.3074281), wk = 0.0025000 k( 347) = ( 0.5000000 -0.0000000 0.3074281), wk = 0.0025000 k( 348) = ( 0.5000000 -0.0000000 0.2956040), wk = 0.0025000 k( 349) = ( 0.5000000 -0.0000000 0.2837798), wk = 0.0025000 k( 350) = ( 0.5000000 -0.0000000 0.2719556), wk = 0.0025000 k( 351) = ( 0.5000000 -0.0000000 0.2601315), wk = 0.0025000 k( 352) = ( 0.5000000 -0.0000000 0.2483073), wk = 0.0025000 k( 353) = ( 0.5000000 -0.0000000 0.2364832), wk = 0.0025000 k( 354) = ( 0.5000000 -0.0000000 0.2246590), wk = 0.0025000 k( 355) = ( 0.5000000 -0.0000000 0.2128349), wk = 0.0025000 k( 356) = ( 0.5000000 -0.0000000 0.2010107), wk = 0.0025000 k( 357) = ( 0.5000000 -0.0000000 0.1891865), wk = 0.0025000 k( 358) = ( 0.5000000 -0.0000000 0.1773624), wk = 0.0025000 k( 359) = ( 0.5000000 -0.0000000 0.1655382), wk = 0.0025000 k( 360) = ( 0.5000000 -0.0000000 0.1537141), wk = 0.0025000 k( 361) = ( 0.5000000 -0.0000000 0.1418899), wk = 0.0025000 k( 362) = ( 0.5000000 -0.0000000 0.1300657), wk = 0.0025000 k( 363) = ( 0.5000000 -0.0000000 0.1182416), wk = 0.0025000 k( 364) = ( 0.5000000 -0.0000000 0.1064174), wk = 0.0025000 k( 365) = ( 0.5000000 -0.0000000 0.0945933), wk = 0.0025000 k( 366) = ( 0.5000000 -0.0000000 0.0827691), wk = 0.0025000 k( 367) = ( 0.5000000 -0.0000000 0.0709450), wk = 0.0025000 k( 368) = ( 0.5000000 -0.0000000 0.0591208), wk = 0.0025000 k( 369) = ( 0.5000000 -0.0000000 0.0472966), wk = 0.0025000 k( 370) = ( 0.5000000 -0.0000000 0.0354725), wk = 0.0025000 k( 371) = ( 0.5000000 -0.0000000 0.0236483), wk = 0.0025000 k( 372) = ( 0.5000000 -0.0000000 0.0118242), wk = 0.0025000 k( 373) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0025000 k( 374) = ( 0.5000000 0.3603933 -0.0000000), wk = 0.0025000 k( 375) = ( 0.5000000 0.3603933 0.0118242), wk = 0.0025000 k( 376) = ( 0.5000000 0.3603933 0.0236483), wk = 0.0025000 k( 377) = ( 0.5000000 0.3603933 0.0354725), wk = 0.0025000 k( 378) = ( 0.5000000 0.3603933 0.0472966), wk = 0.0025000 k( 379) = ( 0.5000000 0.3603933 0.0591208), wk = 0.0025000 k( 380) = ( 0.5000000 0.3603933 0.0709450), wk = 0.0025000 k( 381) = ( 0.5000000 0.3603933 0.0827691), wk = 0.0025000 k( 382) = ( 0.5000000 0.3603933 0.0945933), wk = 0.0025000 k( 383) = ( 0.5000000 0.3603933 0.1064174), wk = 0.0025000 k( 384) = ( 0.5000000 0.3603933 0.1182416), wk = 0.0025000 k( 385) = ( 0.5000000 0.3603933 0.1300657), wk = 0.0025000 k( 386) = ( 0.5000000 0.3603933 0.1418899), wk = 0.0025000 k( 387) = ( 0.5000000 0.3603933 0.1537141), wk = 0.0025000 k( 388) = ( 0.5000000 0.3603933 0.1655382), wk = 0.0025000 k( 389) = ( 0.5000000 0.3603933 0.1773624), wk = 0.0025000 k( 390) = ( 0.5000000 0.3603933 0.1891865), wk = 0.0025000 k( 391) = ( 0.5000000 0.3603933 0.2010107), wk = 0.0025000 k( 392) = ( 0.5000000 0.3603933 0.2128349), wk = 0.0025000 k( 393) = ( 0.5000000 0.3603933 0.2246590), wk = 0.0025000 k( 394) = ( 0.5000000 0.3603933 0.2364832), wk = 0.0025000 k( 395) = ( 0.5000000 0.3603933 0.2483073), wk = 0.0025000 k( 396) = ( 0.5000000 0.3603933 0.2601315), wk = 0.0025000 k( 397) = ( 0.5000000 0.3603933 0.2719556), wk = 0.0025000 k( 398) = ( 0.5000000 0.3603933 0.2837798), wk = 0.0025000 k( 399) = ( 0.5000000 0.3603933 0.2956040), wk = 0.0025000 k( 400) = ( 0.5000000 0.3603933 0.3074281), wk = 0.0025000 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025000 k( 2) = ( 0.0121951 0.0000000 -0.0000000), wk = 0.0025000 k( 3) = ( 0.0243902 0.0000000 -0.0000000), wk = 0.0025000 k( 4) = ( 0.0365854 0.0000000 -0.0000000), wk = 0.0025000 k( 5) = ( 0.0487805 0.0000000 -0.0000000), wk = 0.0025000 k( 6) = ( 0.0609756 0.0000000 -0.0000000), wk = 0.0025000 k( 7) = ( 0.0731707 0.0000000 -0.0000000), wk = 0.0025000 k( 8) = ( 0.0853658 0.0000000 -0.0000000), wk = 0.0025000 k( 9) = ( 0.0975610 0.0000000 -0.0000000), wk = 0.0025000 k( 10) = ( 0.1097561 0.0000000 -0.0000000), wk = 0.0025000 k( 11) = ( 0.1219512 0.0000000 -0.0000000), wk = 0.0025000 k( 12) = ( 0.1341463 0.0000000 -0.0000000), wk = 0.0025000 k( 13) = ( 0.1463415 0.0000000 -0.0000000), wk = 0.0025000 k( 14) = ( 0.1585366 0.0000000 -0.0000000), wk = 0.0025000 k( 15) = ( 0.1707317 0.0000000 -0.0000000), wk = 0.0025000 k( 16) = ( 0.1829268 0.0000000 -0.0000000), wk = 0.0025000 k( 17) = ( 0.1951219 0.0000000 -0.0000000), wk = 0.0025000 k( 18) = ( 0.2073171 -0.0000000 -0.0000000), wk = 0.0025000 k( 19) = ( 0.2195122 0.0000000 -0.0000000), wk = 0.0025000 k( 20) = ( 0.2317073 0.0000000 -0.0000000), wk = 0.0025000 k( 21) = ( 0.2439024 0.0000000 -0.0000000), wk = 0.0025000 k( 22) = ( 0.2560976 0.0000000 -0.0000000), wk = 0.0025000 k( 23) = ( 0.2682927 0.0000000 -0.0000000), wk = 0.0025000 k( 24) = ( 0.2804878 0.0000000 -0.0000000), wk = 0.0025000 k( 25) = ( 0.2926829 0.0000000 -0.0000000), wk = 0.0025000 k( 26) = ( 0.3048781 0.0000000 0.0000000), wk = 0.0025000 k( 27) = ( 0.3170732 0.0000000 -0.0000000), wk = 0.0025000 k( 28) = ( 0.3292683 0.0000000 -0.0000000), wk = 0.0025000 k( 29) = ( 0.3414634 0.0000000 -0.0000000), wk = 0.0025000 k( 30) = ( 0.3536585 0.0000000 -0.0000000), wk = 0.0025000 k( 31) = ( 0.3658537 0.0000000 -0.0000000), wk = 0.0025000 k( 32) = ( 0.3780488 0.0000000 0.0000000), wk = 0.0025000 k( 33) = ( 0.3902439 0.0000000 -0.0000000), wk = 0.0025000 k( 34) = ( 0.4024390 0.0000000 -0.0000000), wk = 0.0025000 k( 35) = ( 0.4146341 0.0000000 -0.0000000), wk = 0.0025000 k( 36) = ( 0.4268293 0.0000000 -0.0000000), wk = 0.0025000 k( 37) = ( 0.4390244 0.0000000 -0.0000000), wk = 0.0025000 k( 38) = ( 0.4512195 0.0000000 -0.0000000), wk = 0.0025000 k( 39) = ( 0.4634146 0.0000000 -0.0000000), wk = 0.0025000 k( 40) = ( 0.4756098 0.0000000 -0.0000000), wk = 0.0025000 k( 41) = ( 0.4878049 0.0000000 -0.0000000), wk = 0.0025000 k( 42) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0025000 k( 43) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0025000 k( 44) = ( 0.5000000 0.0166667 -0.0000000), wk = 0.0025000 k( 45) = ( 0.5000000 0.0333333 -0.0000000), wk = 0.0025000 k( 46) = ( 0.5000000 0.0500000 -0.0000000), wk = 0.0025000 k( 47) = ( 0.5000000 0.0666667 -0.0000000), wk = 0.0025000 k( 48) = ( 0.5000000 0.0833333 -0.0000000), wk = 0.0025000 k( 49) = ( 0.5000000 0.1000000 -0.0000000), wk = 0.0025000 k( 50) = ( 0.5000000 0.1166667 -0.0000000), wk = 0.0025000 k( 51) = ( 0.5000000 0.1333333 -0.0000000), wk = 0.0025000 k( 52) = ( 0.5000000 0.1500000 -0.0000000), wk = 0.0025000 k( 53) = ( 0.5000000 0.1666667 -0.0000000), wk = 0.0025000 k( 54) = ( 0.5000000 0.1833333 -0.0000000), wk = 0.0025000 k( 55) = ( 0.5000000 0.2000000 -0.0000000), wk = 0.0025000 k( 56) = ( 0.5000000 0.2166667 -0.0000000), wk = 0.0025000 k( 57) = ( 0.5000000 0.2333333 -0.0000000), wk = 0.0025000 k( 58) = ( 0.5000000 0.2500000 -0.0000000), wk = 0.0025000 k( 59) = ( 0.5000000 0.2666667 0.0000000), wk = 0.0025000 k( 60) = ( 0.5000000 0.2833333 -0.0000000), wk = 0.0025000 k( 61) = ( 0.5000000 0.3000000 -0.0000000), wk = 0.0025000 k( 62) = ( 0.5000000 0.3166667 -0.0000000), wk = 0.0025000 k( 63) = ( 0.5000000 0.3333333 0.0000000), wk = 0.0025000 k( 64) = ( 0.5000000 0.3500000 0.0000000), wk = 0.0025000 k( 65) = ( 0.5000000 0.3666667 -0.0000000), wk = 0.0025000 k( 66) = ( 0.5000000 0.3833333 -0.0000000), wk = 0.0025000 k( 67) = ( 0.5000000 0.4000000 -0.0000000), wk = 0.0025000 k( 68) = ( 0.5000000 0.4166667 -0.0000000), wk = 0.0025000 k( 69) = ( 0.5000000 0.4333333 -0.0000000), wk = 0.0025000 k( 70) = ( 0.5000000 0.4500000 -0.0000000), wk = 0.0025000 k( 71) = ( 0.5000000 0.4666667 -0.0000000), wk = 0.0025000 k( 72) = ( 0.5000000 0.4833333 -0.0000000), wk = 0.0025000 k( 73) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0025000 k( 74) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0025000 k( 75) = ( 0.4878049 0.5000000 -0.0000000), wk = 0.0025000 k( 76) = ( 0.4756098 0.5000000 -0.0000000), wk = 0.0025000 k( 77) = ( 0.4634146 0.5000000 -0.0000000), wk = 0.0025000 k( 78) = ( 0.4512195 0.5000000 -0.0000000), wk = 0.0025000 k( 79) = ( 0.4390244 0.5000000 0.0000000), wk = 0.0025000 k( 80) = ( 0.4268293 0.5000000 -0.0000000), wk = 0.0025000 k( 81) = ( 0.4146341 0.5000000 -0.0000000), wk = 0.0025000 k( 82) = ( 0.4024390 0.5000000 -0.0000000), wk = 0.0025000 k( 83) = ( 0.3902439 0.5000000 -0.0000000), wk = 0.0025000 k( 84) = ( 0.3780488 0.5000000 -0.0000000), wk = 0.0025000 k( 85) = ( 0.3658537 0.5000000 -0.0000000), wk = 0.0025000 k( 86) = ( 0.3536585 0.5000000 -0.0000000), wk = 0.0025000 k( 87) = ( 0.3414634 0.5000000 -0.0000000), wk = 0.0025000 k( 88) = ( 0.3292683 0.5000000 -0.0000000), wk = 0.0025000 k( 89) = ( 0.3170732 0.5000000 -0.0000000), wk = 0.0025000 k( 90) = ( 0.3048781 0.5000000 0.0000000), wk = 0.0025000 k( 91) = ( 0.2926829 0.5000000 -0.0000000), wk = 0.0025000 k( 92) = ( 0.2804878 0.5000000 -0.0000000), wk = 0.0025000 k( 93) = ( 0.2682927 0.5000000 0.0000000), wk = 0.0025000 k( 94) = ( 0.2560976 0.5000000 0.0000000), wk = 0.0025000 k( 95) = ( 0.2439024 0.5000000 0.0000000), wk = 0.0025000 k( 96) = ( 0.2317073 0.5000000 -0.0000000), wk = 0.0025000 k( 97) = ( 0.2195122 0.5000000 0.0000000), wk = 0.0025000 k( 98) = ( 0.2073171 0.5000000 0.0000000), wk = 0.0025000 k( 99) = ( 0.1951219 0.5000000 -0.0000000), wk = 0.0025000 k( 100) = ( 0.1829268 0.5000000 0.0000000), wk = 0.0025000 k( 101) = ( 0.1707317 0.5000000 0.0000000), wk = 0.0025000 k( 102) = ( 0.1585366 0.5000000 0.0000000), wk = 0.0025000 k( 103) = ( 0.1463415 0.5000000 0.0000000), wk = 0.0025000 k( 104) = ( 0.1341463 0.5000000 0.0000000), wk = 0.0025000 k( 105) = ( 0.1219512 0.5000000 0.0000000), wk = 0.0025000 k( 106) = ( 0.1097561 0.5000000 0.0000000), wk = 0.0025000 k( 107) = ( 0.0975610 0.5000000 0.0000000), wk = 0.0025000 k( 108) = ( 0.0853658 0.5000000 0.0000000), wk = 0.0025000 k( 109) = ( 0.0731707 0.5000000 0.0000000), wk = 0.0025000 k( 110) = ( 0.0609756 0.5000000 0.0000000), wk = 0.0025000 k( 111) = ( 0.0487805 0.5000000 0.0000000), wk = 0.0025000 k( 112) = ( 0.0365854 0.5000000 0.0000000), wk = 0.0025000 k( 113) = ( 0.0243902 0.5000000 0.0000000), wk = 0.0025000 k( 114) = ( 0.0121951 0.5000000 0.0000000), wk = 0.0025000 k( 115) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0025000 k( 116) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0025000 k( 117) = ( 0.0000000 0.4833333 -0.0000000), wk = 0.0025000 k( 118) = ( 0.0000000 0.4666667 -0.0000000), wk = 0.0025000 k( 119) = ( 0.0000000 0.4500000 -0.0000000), wk = 0.0025000 k( 120) = ( 0.0000000 0.4333333 0.0000000), wk = 0.0025000 k( 121) = ( 0.0000000 0.4166667 0.0000000), wk = 0.0025000 k( 122) = ( 0.0000000 0.4000000 0.0000000), wk = 0.0025000 k( 123) = ( 0.0000000 0.3833333 -0.0000000), wk = 0.0025000 k( 124) = ( 0.0000000 0.3666667 0.0000000), wk = 0.0025000 k( 125) = ( 0.0000000 0.3500000 0.0000000), wk = 0.0025000 k( 126) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0025000 k( 127) = ( 0.0000000 0.3166667 -0.0000000), wk = 0.0025000 k( 128) = ( 0.0000000 0.3000000 0.0000000), wk = 0.0025000 k( 129) = ( 0.0000000 0.2833333 0.0000000), wk = 0.0025000 k( 130) = ( 0.0000000 0.2666667 0.0000000), wk = 0.0025000 k( 131) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0025000 k( 132) = ( 0.0000000 0.2333333 0.0000000), wk = 0.0025000 k( 133) = ( 0.0000000 0.2166667 0.0000000), wk = 0.0025000 k( 134) = ( 0.0000000 0.2000000 0.0000000), wk = 0.0025000 k( 135) = ( 0.0000000 0.1833333 -0.0000000), wk = 0.0025000 k( 136) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0025000 k( 137) = ( 0.0000000 0.1500000 0.0000000), wk = 0.0025000 k( 138) = ( 0.0000000 0.1333333 -0.0000000), wk = 0.0025000 k( 139) = ( 0.0000000 0.1166667 0.0000000), wk = 0.0025000 k( 140) = ( 0.0000000 0.1000000 0.0000000), wk = 0.0025000 k( 141) = ( 0.0000000 0.0833333 -0.0000000), wk = 0.0025000 k( 142) = ( 0.0000000 0.0666667 -0.0000000), wk = 0.0025000 k( 143) = ( 0.0000000 0.0500000 0.0000000), wk = 0.0025000 k( 144) = ( 0.0000000 0.0333333 0.0000000), wk = 0.0025000 k( 145) = ( 0.0000000 0.0166667 0.0000000), wk = 0.0025000 k( 146) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025000 k( 147) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025000 k( 148) = ( 0.0000000 0.0000000 0.0192308), wk = 0.0025000 k( 149) = ( 0.0000000 0.0000000 0.0384615), wk = 0.0025000 k( 150) = ( 0.0000000 0.0000000 0.0576923), wk = 0.0025000 k( 151) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0025000 k( 152) = ( 0.0000000 0.0000000 0.0961538), wk = 0.0025000 k( 153) = ( 0.0000000 0.0000000 0.1153846), wk = 0.0025000 k( 154) = ( 0.0000000 0.0000000 0.1346154), wk = 0.0025000 k( 155) = ( 0.0000000 0.0000000 0.1538461), wk = 0.0025000 k( 156) = ( 0.0000000 0.0000000 0.1730769), wk = 0.0025000 k( 157) = ( 0.0000000 0.0000000 0.1923077), wk = 0.0025000 k( 158) = ( 0.0000000 0.0000000 0.2115385), wk = 0.0025000 k( 159) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0025000 k( 160) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0025000 k( 161) = ( 0.0000000 0.0000000 0.2692308), wk = 0.0025000 k( 162) = ( 0.0000000 0.0000000 0.2884615), wk = 0.0025000 k( 163) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0025000 k( 164) = ( 0.0000000 0.0000000 0.3269231), wk = 0.0025000 k( 165) = ( 0.0000000 0.0000000 0.3461538), wk = 0.0025000 k( 166) = ( 0.0000000 0.0000000 0.3653846), wk = 0.0025000 k( 167) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0025000 k( 168) = ( 0.0000000 0.0000000 0.4038462), wk = 0.0025000 k( 169) = ( 0.0000000 0.0000000 0.4230769), wk = 0.0025000 k( 170) = ( 0.0000000 0.0000000 0.4423077), wk = 0.0025000 k( 171) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0025000 k( 172) = ( 0.0000000 0.0000000 0.4807692), wk = 0.0025000 k( 173) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025000 k( 174) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025000 k( 175) = ( 0.0121951 0.0000000 0.5000000), wk = 0.0025000 k( 176) = ( 0.0243902 0.0000000 0.5000000), wk = 0.0025000 k( 177) = ( 0.0365854 0.0000000 0.5000000), wk = 0.0025000 k( 178) = ( 0.0487805 0.0000000 0.5000000), wk = 0.0025000 k( 179) = ( 0.0609756 0.0000000 0.5000000), wk = 0.0025000 k( 180) = ( 0.0731707 0.0000000 0.5000000), wk = 0.0025000 k( 181) = ( 0.0853658 0.0000000 0.5000000), wk = 0.0025000 k( 182) = ( 0.0975610 0.0000000 0.5000000), wk = 0.0025000 k( 183) = ( 0.1097561 0.0000000 0.5000000), wk = 0.0025000 k( 184) = ( 0.1219512 0.0000000 0.5000000), wk = 0.0025000 k( 185) = ( 0.1341463 0.0000000 0.5000000), wk = 0.0025000 k( 186) = ( 0.1463415 0.0000000 0.5000000), wk = 0.0025000 k( 187) = ( 0.1585366 0.0000000 0.5000000), wk = 0.0025000 k( 188) = ( 0.1707317 0.0000000 0.5000000), wk = 0.0025000 k( 189) = ( 0.1829268 0.0000000 0.5000000), wk = 0.0025000 k( 190) = ( 0.1951219 0.0000000 0.5000000), wk = 0.0025000 k( 191) = ( 0.2073171 -0.0000000 0.5000000), wk = 0.0025000 k( 192) = ( 0.2195122 0.0000000 0.5000000), wk = 0.0025000 k( 193) = ( 0.2317073 0.0000000 0.5000000), wk = 0.0025000 k( 194) = ( 0.2439024 0.0000000 0.5000000), wk = 0.0025000 k( 195) = ( 0.2560976 0.0000000 0.5000000), wk = 0.0025000 k( 196) = ( 0.2682927 0.0000000 0.5000000), wk = 0.0025000 k( 197) = ( 0.2804878 0.0000000 0.5000000), wk = 0.0025000 k( 198) = ( 0.2926829 0.0000000 0.5000000), wk = 0.0025000 k( 199) = ( 0.3048781 0.0000000 0.5000000), wk = 0.0025000 k( 200) = ( 0.3170732 0.0000000 0.5000000), wk = 0.0025000 k( 201) = ( 0.3292683 0.0000000 0.5000000), wk = 0.0025000 k( 202) = ( 0.3414634 0.0000000 0.5000000), wk = 0.0025000 k( 203) = ( 0.3536585 0.0000000 0.5000000), wk = 0.0025000 k( 204) = ( 0.3658537 0.0000000 0.5000000), wk = 0.0025000 k( 205) = ( 0.3780488 0.0000000 0.5000000), wk = 0.0025000 k( 206) = ( 0.3902439 0.0000000 0.5000000), wk = 0.0025000 k( 207) = ( 0.4024390 0.0000000 0.5000000), wk = 0.0025000 k( 208) = ( 0.4146341 0.0000000 0.5000000), wk = 0.0025000 k( 209) = ( 0.4268293 0.0000000 0.5000000), wk = 0.0025000 k( 210) = ( 0.4390244 0.0000000 0.5000000), wk = 0.0025000 k( 211) = ( 0.4512195 0.0000000 0.5000000), wk = 0.0025000 k( 212) = ( 0.4634146 0.0000000 0.5000000), wk = 0.0025000 k( 213) = ( 0.4756098 0.0000000 0.5000000), wk = 0.0025000 k( 214) = ( 0.4878049 0.0000000 0.5000000), wk = 0.0025000 k( 215) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0025000 k( 216) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0025000 k( 217) = ( 0.5000000 0.0166667 0.5000000), wk = 0.0025000 k( 218) = ( 0.5000000 0.0333333 0.5000000), wk = 0.0025000 k( 219) = ( 0.5000000 0.0500000 0.5000000), wk = 0.0025000 k( 220) = ( 0.5000000 0.0666667 0.5000000), wk = 0.0025000 k( 221) = ( 0.5000000 0.0833333 0.5000000), wk = 0.0025000 k( 222) = ( 0.5000000 0.1000000 0.5000000), wk = 0.0025000 k( 223) = ( 0.5000000 0.1166667 0.5000000), wk = 0.0025000 k( 224) = ( 0.5000000 0.1333333 0.5000000), wk = 0.0025000 k( 225) = ( 0.5000000 0.1500000 0.5000000), wk = 0.0025000 k( 226) = ( 0.5000000 0.1666667 0.5000000), wk = 0.0025000 k( 227) = ( 0.5000000 0.1833333 0.5000000), wk = 0.0025000 k( 228) = ( 0.5000000 0.2000000 0.5000000), wk = 0.0025000 k( 229) = ( 0.5000000 0.2166667 0.5000000), wk = 0.0025000 k( 230) = ( 0.5000000 0.2333333 0.5000000), wk = 0.0025000 k( 231) = ( 0.5000000 0.2500000 0.5000000), wk = 0.0025000 k( 232) = ( 0.5000000 0.2666667 0.5000000), wk = 0.0025000 k( 233) = ( 0.5000000 0.2833333 0.5000000), wk = 0.0025000 k( 234) = ( 0.5000000 0.3000000 0.5000000), wk = 0.0025000 k( 235) = ( 0.5000000 0.3166667 0.5000000), wk = 0.0025000 k( 236) = ( 0.5000000 0.3333333 0.5000000), wk = 0.0025000 k( 237) = ( 0.5000000 0.3500000 0.5000000), wk = 0.0025000 k( 238) = ( 0.5000000 0.3666667 0.5000000), wk = 0.0025000 k( 239) = ( 0.5000000 0.3833333 0.5000000), wk = 0.0025000 k( 240) = ( 0.5000000 0.4000000 0.5000000), wk = 0.0025000 k( 241) = ( 0.5000000 0.4166667 0.5000000), wk = 0.0025000 k( 242) = ( 0.5000000 0.4333333 0.5000000), wk = 0.0025000 k( 243) = ( 0.5000000 0.4500000 0.5000000), wk = 0.0025000 k( 244) = ( 0.5000000 0.4666667 0.5000000), wk = 0.0025000 k( 245) = ( 0.5000000 0.4833333 0.5000000), wk = 0.0025000 k( 246) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025000 k( 247) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025000 k( 248) = ( 0.4878049 0.5000000 0.5000000), wk = 0.0025000 k( 249) = ( 0.4756098 0.5000000 0.5000000), wk = 0.0025000 k( 250) = ( 0.4634146 0.5000000 0.5000000), wk = 0.0025000 k( 251) = ( 0.4512195 0.5000000 0.5000000), wk = 0.0025000 k( 252) = ( 0.4390244 0.5000000 0.5000000), wk = 0.0025000 k( 253) = ( 0.4268293 0.5000000 0.5000000), wk = 0.0025000 k( 254) = ( 0.4146341 0.5000000 0.5000000), wk = 0.0025000 k( 255) = ( 0.4024390 0.5000000 0.5000000), wk = 0.0025000 k( 256) = ( 0.3902439 0.5000000 0.5000000), wk = 0.0025000 k( 257) = ( 0.3780488 0.5000000 0.5000000), wk = 0.0025000 k( 258) = ( 0.3658537 0.5000000 0.5000000), wk = 0.0025000 k( 259) = ( 0.3536585 0.5000000 0.5000000), wk = 0.0025000 k( 260) = ( 0.3414634 0.5000000 0.5000000), wk = 0.0025000 k( 261) = ( 0.3292683 0.5000000 0.5000000), wk = 0.0025000 k( 262) = ( 0.3170732 0.5000000 0.5000000), wk = 0.0025000 k( 263) = ( 0.3048781 0.5000000 0.5000000), wk = 0.0025000 k( 264) = ( 0.2926829 0.5000000 0.5000000), wk = 0.0025000 k( 265) = ( 0.2804878 0.5000000 0.5000000), wk = 0.0025000 k( 266) = ( 0.2682927 0.5000000 0.5000000), wk = 0.0025000 k( 267) = ( 0.2560976 0.5000000 0.5000000), wk = 0.0025000 k( 268) = ( 0.2439024 0.5000000 0.5000000), wk = 0.0025000 k( 269) = ( 0.2317073 0.5000000 0.5000000), wk = 0.0025000 k( 270) = ( 0.2195122 0.5000000 0.5000000), wk = 0.0025000 k( 271) = ( 0.2073171 0.5000000 0.5000000), wk = 0.0025000 k( 272) = ( 0.1951219 0.5000000 0.5000000), wk = 0.0025000 k( 273) = ( 0.1829268 0.5000000 0.5000000), wk = 0.0025000 k( 274) = ( 0.1707317 0.5000000 0.5000000), wk = 0.0025000 k( 275) = ( 0.1585366 0.5000000 0.5000000), wk = 0.0025000 k( 276) = ( 0.1463415 0.5000000 0.5000000), wk = 0.0025000 k( 277) = ( 0.1341463 0.5000000 0.5000000), wk = 0.0025000 k( 278) = ( 0.1219512 0.5000000 0.5000000), wk = 0.0025000 k( 279) = ( 0.1097561 0.5000000 0.5000000), wk = 0.0025000 k( 280) = ( 0.0975610 0.5000000 0.5000000), wk = 0.0025000 k( 281) = ( 0.0853658 0.5000000 0.5000000), wk = 0.0025000 k( 282) = ( 0.0731707 0.5000000 0.5000000), wk = 0.0025000 k( 283) = ( 0.0609756 0.5000000 0.5000000), wk = 0.0025000 k( 284) = ( 0.0487805 0.5000000 0.5000000), wk = 0.0025000 k( 285) = ( 0.0365854 0.5000000 0.5000000), wk = 0.0025000 k( 286) = ( 0.0243902 0.5000000 0.5000000), wk = 0.0025000 k( 287) = ( 0.0121951 0.5000000 0.5000000), wk = 0.0025000 k( 288) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025000 k( 289) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025000 k( 290) = ( 0.0000000 0.4833333 0.5000000), wk = 0.0025000 k( 291) = ( 0.0000000 0.4666667 0.5000000), wk = 0.0025000 k( 292) = ( 0.0000000 0.4500000 0.5000000), wk = 0.0025000 k( 293) = ( 0.0000000 0.4333333 0.5000000), wk = 0.0025000 k( 294) = ( 0.0000000 0.4166667 0.5000000), wk = 0.0025000 k( 295) = ( 0.0000000 0.4000000 0.5000000), wk = 0.0025000 k( 296) = ( 0.0000000 0.3833333 0.5000000), wk = 0.0025000 k( 297) = ( 0.0000000 0.3666667 0.5000000), wk = 0.0025000 k( 298) = ( 0.0000000 0.3500000 0.5000000), wk = 0.0025000 k( 299) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0025000 k( 300) = ( 0.0000000 0.3166667 0.5000000), wk = 0.0025000 k( 301) = ( 0.0000000 0.3000000 0.5000000), wk = 0.0025000 k( 302) = ( 0.0000000 0.2833333 0.5000000), wk = 0.0025000 k( 303) = ( 0.0000000 0.2666667 0.5000000), wk = 0.0025000 k( 304) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0025000 k( 305) = ( 0.0000000 0.2333333 0.5000000), wk = 0.0025000 k( 306) = ( 0.0000000 0.2166667 0.5000000), wk = 0.0025000 k( 307) = ( 0.0000000 0.2000000 0.5000000), wk = 0.0025000 k( 308) = ( 0.0000000 0.1833333 0.5000000), wk = 0.0025000 k( 309) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0025000 k( 310) = ( 0.0000000 0.1500000 0.5000000), wk = 0.0025000 k( 311) = ( 0.0000000 0.1333333 0.5000000), wk = 0.0025000 k( 312) = ( 0.0000000 0.1166667 0.5000000), wk = 0.0025000 k( 313) = ( 0.0000000 0.1000000 0.5000000), wk = 0.0025000 k( 314) = ( 0.0000000 0.0833333 0.5000000), wk = 0.0025000 k( 315) = ( 0.0000000 0.0666667 0.5000000), wk = 0.0025000 k( 316) = ( 0.0000000 0.0500000 0.5000000), wk = 0.0025000 k( 317) = ( 0.0000000 0.0333333 0.5000000), wk = 0.0025000 k( 318) = ( 0.0000000 0.0166667 0.5000000), wk = 0.0025000 k( 319) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025000 k( 320) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0025000 k( 321) = ( 0.0000000 0.5000000 0.0192308), wk = 0.0025000 k( 322) = ( 0.0000000 0.5000000 0.0384615), wk = 0.0025000 k( 323) = ( 0.0000000 0.5000000 0.0576923), wk = 0.0025000 k( 324) = ( 0.0000000 0.5000000 0.0769231), wk = 0.0025000 k( 325) = ( 0.0000000 0.5000000 0.0961538), wk = 0.0025000 k( 326) = ( 0.0000000 0.5000000 0.1153846), wk = 0.0025000 k( 327) = ( 0.0000000 0.5000000 0.1346154), wk = 0.0025000 k( 328) = ( 0.0000000 0.5000000 0.1538461), wk = 0.0025000 k( 329) = ( 0.0000000 0.5000000 0.1730769), wk = 0.0025000 k( 330) = ( 0.0000000 0.5000000 0.1923077), wk = 0.0025000 k( 331) = ( 0.0000000 0.5000000 0.2115385), wk = 0.0025000 k( 332) = ( 0.0000000 0.5000000 0.2307692), wk = 0.0025000 k( 333) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0025000 k( 334) = ( 0.0000000 0.5000000 0.2692308), wk = 0.0025000 k( 335) = ( 0.0000000 0.5000000 0.2884615), wk = 0.0025000 k( 336) = ( 0.0000000 0.5000000 0.3076923), wk = 0.0025000 k( 337) = ( 0.0000000 0.5000000 0.3269231), wk = 0.0025000 k( 338) = ( 0.0000000 0.5000000 0.3461538), wk = 0.0025000 k( 339) = ( 0.0000000 0.5000000 0.3653846), wk = 0.0025000 k( 340) = ( 0.0000000 0.5000000 0.3846154), wk = 0.0025000 k( 341) = ( 0.0000000 0.5000000 0.4038462), wk = 0.0025000 k( 342) = ( 0.0000000 0.5000000 0.4230769), wk = 0.0025000 k( 343) = ( 0.0000000 0.5000000 0.4423077), wk = 0.0025000 k( 344) = ( 0.0000000 0.5000000 0.4615385), wk = 0.0025000 k( 345) = ( 0.0000000 0.5000000 0.4807692), wk = 0.0025000 k( 346) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025000 k( 347) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0025000 k( 348) = ( 0.5000000 0.0000000 0.4807692), wk = 0.0025000 k( 349) = ( 0.5000000 0.0000000 0.4615385), wk = 0.0025000 k( 350) = ( 0.5000000 0.0000000 0.4423077), wk = 0.0025000 k( 351) = ( 0.5000000 0.0000000 0.4230769), wk = 0.0025000 k( 352) = ( 0.5000000 0.0000000 0.4038461), wk = 0.0025000 k( 353) = ( 0.5000000 0.0000000 0.3846154), wk = 0.0025000 k( 354) = ( 0.5000000 0.0000000 0.3653846), wk = 0.0025000 k( 355) = ( 0.5000000 0.0000000 0.3461538), wk = 0.0025000 k( 356) = ( 0.5000000 0.0000000 0.3269231), wk = 0.0025000 k( 357) = ( 0.5000000 0.0000000 0.3076923), wk = 0.0025000 k( 358) = ( 0.5000000 0.0000000 0.2884615), wk = 0.0025000 k( 359) = ( 0.5000000 0.0000000 0.2692308), wk = 0.0025000 k( 360) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0025000 k( 361) = ( 0.5000000 0.0000000 0.2307692), wk = 0.0025000 k( 362) = ( 0.5000000 0.0000000 0.2115385), wk = 0.0025000 k( 363) = ( 0.5000000 0.0000000 0.1923077), wk = 0.0025000 k( 364) = ( 0.5000000 0.0000000 0.1730769), wk = 0.0025000 k( 365) = ( 0.5000000 0.0000000 0.1538461), wk = 0.0025000 k( 366) = ( 0.5000000 0.0000000 0.1346154), wk = 0.0025000 k( 367) = ( 0.5000000 0.0000000 0.1153846), wk = 0.0025000 k( 368) = ( 0.5000000 0.0000000 0.0961538), wk = 0.0025000 k( 369) = ( 0.5000000 0.0000000 0.0769231), wk = 0.0025000 k( 370) = ( 0.5000000 0.0000000 0.0576923), wk = 0.0025000 k( 371) = ( 0.5000000 0.0000000 0.0384615), wk = 0.0025000 k( 372) = ( 0.5000000 0.0000000 0.0192308), wk = 0.0025000 k( 373) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0025000 k( 374) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0025000 k( 375) = ( 0.5000000 0.5000000 0.0192308), wk = 0.0025000 k( 376) = ( 0.5000000 0.5000000 0.0384615), wk = 0.0025000 k( 377) = ( 0.5000000 0.5000000 0.0576923), wk = 0.0025000 k( 378) = ( 0.5000000 0.5000000 0.0769231), wk = 0.0025000 k( 379) = ( 0.5000000 0.5000000 0.0961538), wk = 0.0025000 k( 380) = ( 0.5000000 0.5000000 0.1153846), wk = 0.0025000 k( 381) = ( 0.5000000 0.5000000 0.1346154), wk = 0.0025000 k( 382) = ( 0.5000000 0.5000000 0.1538461), wk = 0.0025000 k( 383) = ( 0.5000000 0.5000000 0.1730769), wk = 0.0025000 k( 384) = ( 0.5000000 0.5000000 0.1923077), wk = 0.0025000 k( 385) = ( 0.5000000 0.5000000 0.2115385), wk = 0.0025000 k( 386) = ( 0.5000000 0.5000000 0.2307692), wk = 0.0025000 k( 387) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0025000 k( 388) = ( 0.5000000 0.5000000 0.2692308), wk = 0.0025000 k( 389) = ( 0.5000000 0.5000000 0.2884615), wk = 0.0025000 k( 390) = ( 0.5000000 0.5000000 0.3076923), wk = 0.0025000 k( 391) = ( 0.5000000 0.5000000 0.3269231), wk = 0.0025000 k( 392) = ( 0.5000000 0.5000000 0.3461538), wk = 0.0025000 k( 393) = ( 0.5000000 0.5000000 0.3653846), wk = 0.0025000 k( 394) = ( 0.5000000 0.5000000 0.3846154), wk = 0.0025000 k( 395) = ( 0.5000000 0.5000000 0.4038462), wk = 0.0025000 k( 396) = ( 0.5000000 0.5000000 0.4230769), wk = 0.0025000 k( 397) = ( 0.5000000 0.5000000 0.4423077), wk = 0.0025000 k( 398) = ( 0.5000000 0.5000000 0.4615385), wk = 0.0025000 k( 399) = ( 0.5000000 0.5000000 0.4807692), wk = 0.0025000 k( 400) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025000 Dense grid: 53833 G-vectors FFT dimensions: ( 36, 50, 60) Smooth grid: 36555 G-vectors FFT dimensions: ( 32, 45, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.20 Mb ( 272, 48) NL pseudopotentials 0.42 Mb ( 136, 204) Each V/rho on FFT grid 0.05 Mb ( 3600) Each G-vector array 0.01 Mb ( 1494) G-vector shells 0.01 Mb ( 766) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.80 Mb ( 272, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.30 Mb ( 204, 2, 48) The potential is recalculated from file : ./FeTe2.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.5 secs Computing kpt #: 2 total cpu time spent up to now is 3.1 secs Computing kpt #: 3 total cpu time spent up to now is 3.6 secs Computing kpt #: 4 total cpu time spent up to now is 4.0 secs Computing kpt #: 5 total cpu time spent up to now is 4.5 secs Computing kpt #: 6 total cpu time spent up to now is 4.9 secs Computing kpt #: 7 total cpu time spent up to now is 5.3 secs Computing kpt #: 8 total cpu time spent up to now is 5.7 secs Computing kpt #: 9 total cpu time spent up to now is 6.2 secs Computing kpt #: 10 total cpu time spent up to now is 6.7 secs Computing kpt #: 11 total cpu time spent up to now is 7.1 secs Computing kpt #: 12 total cpu time spent up to now is 7.6 secs Computing kpt #: 13 total cpu time spent up to now is 8.0 secs Computing kpt #: 14 total cpu time spent up to now is 8.4 secs Computing kpt #: 15 total cpu time spent up to now is 9.0 secs Computing kpt #: 16 total cpu time spent up to now is 9.4 secs Computing kpt #: 17 total cpu time spent up to now is 9.9 secs Computing kpt #: 18 total cpu time spent up to now is 10.3 secs Computing kpt #: 19 total cpu time spent up to now is 10.8 secs Computing kpt #: 20 total cpu time spent up to now is 11.2 secs Computing kpt #: 21 total cpu time spent up to now is 11.7 secs Computing kpt #: 22 total cpu time spent up to now is 12.3 secs Computing kpt #: 23 total cpu time spent up to now is 12.8 secs Computing kpt #: 24 total cpu time spent up to now is 13.3 secs Computing kpt #: 25 total cpu time spent up to now is 13.8 secs Computing kpt #: 26 total cpu time spent up to now is 14.4 secs Computing kpt #: 27 total cpu time spent up to now is 15.1 secs Computing kpt #: 28 total cpu time spent up to now is 15.7 secs Computing kpt #: 29 total cpu time spent up to now is 16.5 secs Computing kpt #: 30 total cpu time spent up to now is 17.2 secs Computing kpt #: 31 total cpu time spent up to now is 17.9 secs Computing kpt #: 32 total cpu time spent up to now is 18.5 secs Computing kpt #: 33 total cpu time spent up to now is 19.2 secs Computing kpt #: 34 total cpu time spent up to now is 19.9 secs Computing kpt #: 35 total cpu time spent up to now is 20.4 secs Computing kpt #: 36 total cpu time spent up to now is 21.1 secs Computing kpt #: 37 total cpu time spent up to now is 21.8 secs Computing kpt #: 38 total cpu time spent up to now is 22.5 secs Computing kpt #: 39 total cpu time spent up to now is 23.0 secs Computing kpt #: 40 total cpu time spent up to now is 23.4 secs Computing kpt #: 41 total cpu time spent up to now is 23.8 secs Computing kpt #: 42 total cpu time spent up to now is 24.3 secs Computing kpt #: 43 total cpu time spent up to now is 24.7 secs Computing kpt #: 44 total cpu time spent up to now is 25.1 secs Computing kpt #: 45 total cpu time spent up to now is 25.6 secs Computing kpt #: 46 total cpu time spent up to now is 26.1 secs Computing kpt #: 47 total cpu time spent up to now is 26.6 secs Computing kpt #: 48 total cpu time spent up to now is 27.1 secs Computing kpt #: 49 total cpu time spent up to now is 27.5 secs Computing kpt #: 50 total cpu time spent up to now is 27.9 secs Computing kpt #: 51 total cpu time spent up to now is 28.3 secs Computing kpt #: 52 total cpu time spent up to now is 28.7 secs Computing kpt #: 53 total cpu time spent up to now is 29.1 secs Computing kpt #: 54 total cpu time spent up to now is 29.5 secs Computing kpt #: 55 total cpu time spent up to now is 29.9 secs Computing kpt #: 56 total cpu time spent up to now is 30.3 secs Computing kpt #: 57 total cpu time spent up to now is 30.7 secs Computing kpt #: 58 total cpu time spent up to now is 31.2 secs Computing kpt #: 59 total cpu time spent up to now is 31.6 secs Computing kpt #: 60 total cpu time spent up to now is 32.0 secs Computing kpt #: 61 total cpu time spent up to now is 32.4 secs Computing kpt #: 62 total cpu time spent up to now is 32.8 secs Computing kpt #: 63 total cpu time spent up to now is 33.2 secs Computing kpt #: 64 total cpu time spent up to now is 33.6 secs Computing kpt #: 65 total cpu time spent up to now is 34.0 secs Computing kpt #: 66 total cpu time spent up to now is 34.4 secs Computing kpt #: 67 total cpu time spent up to now is 34.8 secs Computing kpt #: 68 total cpu time spent up to now is 35.2 secs Computing kpt #: 69 total cpu time spent up to now is 35.6 secs Computing kpt #: 70 total cpu time spent up to now is 36.1 secs Computing kpt #: 71 total cpu time spent up to now is 36.5 secs Computing kpt #: 72 total cpu time spent up to now is 36.9 secs Computing kpt #: 73 total cpu time spent up to now is 37.3 secs Computing kpt #: 74 total cpu time spent up to now is 37.7 secs Computing kpt #: 75 total cpu time spent up to now is 38.1 secs Computing kpt #: 76 total cpu time spent up to now is 38.5 secs Computing kpt #: 77 total cpu time spent up to now is 39.0 secs Computing kpt #: 78 total cpu time spent up to now is 39.4 secs Computing kpt #: 79 total cpu time spent up to now is 39.8 secs Computing kpt #: 80 total cpu time spent up to now is 40.2 secs Computing kpt #: 81 total cpu time spent up to now is 40.6 secs Computing kpt #: 82 total cpu time spent up to now is 41.1 secs Computing kpt #: 83 total cpu time spent up to now is 41.5 secs Computing kpt #: 84 total cpu time spent up to now is 41.9 secs Computing kpt #: 85 total cpu time spent up to now is 42.3 secs Computing kpt #: 86 total cpu time spent up to now is 42.7 secs Computing kpt #: 87 total cpu time spent up to now is 43.1 secs Computing kpt #: 88 total cpu time spent up to now is 43.6 secs Computing kpt #: 89 total cpu time spent up to now is 44.0 secs Computing kpt #: 90 total cpu time spent up to now is 44.4 secs Computing kpt #: 91 total cpu time spent up to now is 44.8 secs Computing kpt #: 92 total cpu time spent up to now is 45.2 secs Computing kpt #: 93 total cpu time spent up to now is 45.6 secs Computing kpt #: 94 total cpu time spent up to now is 46.1 secs Computing kpt #: 95 total cpu time spent up to now is 46.5 secs Computing kpt #: 96 total cpu time spent up to now is 46.9 secs Computing kpt #: 97 total cpu time spent up to now is 47.4 secs Computing kpt #: 98 total cpu time spent up to now is 47.8 secs Computing kpt #: 99 total cpu time spent up to now is 48.3 secs Computing kpt #: 100 total cpu time spent up to now is 48.8 secs Computing kpt #: 101 total cpu time spent up to now is 49.3 secs Computing kpt #: 102 total cpu time spent up to now is 49.8 secs Computing kpt #: 103 total cpu time spent up to now is 50.3 secs Computing kpt #: 104 total cpu time spent up to now is 50.8 secs Computing kpt #: 105 total cpu time spent up to now is 51.3 secs Computing kpt #: 106 total cpu time spent up to now is 51.8 secs Computing kpt #: 107 total cpu time spent up to 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Computing kpt #: 123 total cpu time spent up to now is 60.5 secs Computing kpt #: 124 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 61.9 secs Computing kpt #: 125 total cpu time spent up to now is 62.5 secs Computing kpt #: 126 total cpu time spent up to now is 63.3 secs Computing kpt #: 127 total cpu time spent up to now is 64.0 secs Computing kpt #: 128 total cpu time spent up to now is 64.7 secs Computing kpt #: 129 total cpu time spent up to now is 65.4 secs Computing kpt #: 130 total cpu time spent up to now is 66.1 secs Computing kpt #: 131 total cpu time spent up to now is 66.8 secs Computing kpt #: 132 total cpu time spent up to now is 67.5 secs Computing kpt #: 133 total cpu time spent up to now is 68.3 secs Computing kpt #: 134 total cpu time spent up to now is 69.0 secs Computing kpt #: 135 total cpu time spent up to now is 69.7 secs Computing kpt #: 136 total cpu time spent up to now is 70.4 secs Computing kpt #: 137 total cpu time spent up to now is 71.0 secs Computing kpt #: 138 total cpu time spent up to now is 71.5 secs Computing kpt #: 139 total cpu time spent up to now is 72.1 secs Computing kpt #: 140 total cpu time spent up to now is 72.6 secs Computing kpt #: 141 total cpu time spent up to now is 73.1 secs Computing kpt #: 142 total cpu time spent up to now is 73.5 secs Computing kpt #: 143 total cpu time spent up to now is 73.9 secs Computing kpt #: 144 total cpu time spent up to now is 74.4 secs Computing kpt #: 145 total cpu time spent up to now is 74.8 secs Computing kpt #: 146 total cpu time spent up to now is 75.3 secs Computing kpt #: 147 total cpu time spent up to now is 75.8 secs Computing kpt #: 148 total cpu time spent up to now is 76.2 secs Computing kpt #: 149 total cpu time spent up to now is 76.8 secs Computing kpt #: 150 total cpu time spent up to now is 77.5 secs Computing kpt #: 151 total cpu time spent up to now is 78.3 secs Computing kpt #: 152 total cpu time spent up to now is 79.1 secs Computing kpt #: 153 total cpu time spent up to now is 79.8 secs Computing kpt #: 154 total cpu time spent up to now is 80.4 secs Computing kpt #: 155 total cpu time spent up to now is 81.1 secs Computing kpt #: 156 total cpu time spent up to now is 81.7 secs Computing kpt #: 157 total cpu time spent up to now is 82.2 secs Computing kpt #: 158 total cpu time spent up to now is 82.8 secs Computing kpt #: 159 total cpu time spent up to now is 83.4 secs Computing kpt #: 160 total cpu time spent up to now is 84.0 secs Computing kpt #: 161 total cpu time spent up to now is 84.6 secs Computing kpt #: 162 total cpu time spent up to now is 85.0 secs Computing kpt #: 163 total cpu time spent up to now is 85.6 secs Computing kpt #: 164 total cpu time spent up to now is 86.0 secs Computing kpt #: 165 total cpu time spent up to now is 86.5 secs Computing kpt #: 166 total cpu time spent up to now is 87.0 secs Computing kpt #: 167 total cpu time spent up to now is 87.5 secs Computing kpt #: 168 total cpu time spent up to now is 88.0 secs Computing kpt #: 169 total cpu time spent up to now is 88.4 secs Computing kpt #: 170 total cpu time spent up to now is 88.8 secs Computing kpt #: 171 total cpu time spent up to now is 89.3 secs Computing kpt #: 172 total cpu time spent up to now is 89.7 secs Computing kpt #: 173 total cpu time spent up to now is 90.2 secs Computing kpt #: 174 total cpu time spent up to now is 90.6 secs Computing kpt #: 175 total cpu time spent up to now is 91.1 secs Computing kpt #: 176 total cpu time spent up to now is 91.5 secs Computing kpt #: 177 total cpu time spent up to now is 91.9 secs Computing kpt #: 178 total cpu time spent up to now is 92.4 secs Computing kpt #: 179 total cpu time spent up to now is 92.9 secs Computing kpt #: 180 total cpu time spent up to now is 93.5 secs Computing kpt #: 181 total cpu time spent up to now is 94.2 secs Computing kpt #: 182 total cpu time spent up to now is 94.9 secs Computing kpt #: 183 total cpu time spent up to now is 95.5 secs Computing kpt #: 184 total cpu time spent up to now is 96.0 secs Computing kpt #: 185 total cpu time spent up to now is 96.4 secs Computing kpt #: 186 total cpu time spent up to now is 97.0 secs Computing kpt #: 187 total cpu time spent up to now is 97.4 secs Computing kpt #: 188 total cpu time spent up to now is 97.9 secs Computing kpt #: 189 total cpu time spent up to now is 98.3 secs Computing kpt #: 190 total cpu time spent up to now is 98.7 secs Computing kpt #: 191 total cpu time spent up to now is 99.3 secs Computing kpt #: 192 total cpu time spent up to now is 99.9 secs Computing kpt #: 193 total cpu time spent up to now is 100.5 secs Computing kpt #: 194 total cpu time spent up to now is 101.2 secs Computing kpt #: 195 total cpu time spent up to now is 101.8 secs Computing kpt #: 196 total cpu time spent up to now is 102.4 secs Computing kpt #: 197 total cpu time spent up to now is 103.0 secs Computing kpt #: 198 total cpu time spent up to now is 103.7 secs Computing kpt #: 199 total cpu time spent up to now is 104.3 secs Computing kpt #: 200 total cpu time spent up to now is 104.8 secs Computing kpt #: 201 total cpu time spent up to now is 105.4 secs Computing kpt #: 202 total cpu time spent up to now is 106.0 secs Computing kpt #: 203 total cpu time spent up to now is 106.5 secs Computing kpt #: 204 total cpu time spent up to now is 107.1 secs Computing kpt #: 205 total cpu time spent up to now is 107.7 secs Computing kpt #: 206 total cpu time spent up to now is 108.2 secs Computing kpt #: 207 total cpu time spent up to now is 108.8 secs Computing kpt #: 208 total cpu time spent up to now is 109.3 secs Computing kpt #: 209 total cpu time spent up to now is 109.7 secs Computing kpt #: 210 total cpu time spent up to now is 110.2 secs Computing kpt #: 211 total cpu time spent up to now is 110.6 secs Computing kpt #: 212 total cpu time spent up to now is 111.0 secs Computing kpt #: 213 total cpu time spent up to now is 111.4 secs Computing kpt #: 214 total cpu time spent up to now is 111.8 secs Computing kpt #: 215 total cpu time spent up to now is 112.3 secs Computing kpt #: 216 total cpu time spent up to now is 112.7 secs Computing kpt #: 217 total cpu time spent up to now is 113.1 secs Computing kpt #: 218 total cpu time spent up to now is 113.5 secs Computing kpt #: 219 total cpu time spent up to now is 114.0 secs Computing kpt #: 220 total cpu time spent up to now is 114.5 secs Computing kpt #: 221 total cpu time spent up to now is 114.9 secs Computing kpt #: 222 total cpu time spent up to now is 115.5 secs Computing kpt #: 223 total cpu time spent up to now is 116.0 secs Computing kpt #: 224 total cpu time spent up to now is 116.6 secs Computing kpt #: 225 total cpu time spent up to now is 117.2 secs Computing kpt #: 226 total cpu time spent up to now is 117.8 secs Computing kpt #: 227 total cpu time spent up to now is 118.4 secs Computing kpt #: 228 total cpu time spent up to now is 118.9 secs Computing kpt #: 229 total cpu time spent up to now is 119.6 secs Computing kpt #: 230 total cpu time spent up to now is 120.2 secs Computing kpt #: 231 total cpu time spent up to now is 120.7 secs Computing kpt #: 232 total cpu time spent up to now is 121.4 secs Computing kpt #: 233 total cpu time spent up to now is 121.8 secs Computing kpt #: 234 total cpu time spent up to now is 122.2 secs Computing kpt #: 235 total cpu time spent up to now is 122.6 secs Computing kpt #: 236 total cpu time spent up to now is 123.0 secs Computing kpt #: 237 total cpu time spent up to now is 123.4 secs Computing kpt #: 238 total cpu time spent up to now is 123.8 secs Computing kpt #: 239 total cpu time spent up to now is 124.2 secs Computing kpt #: 240 total cpu time spent up to now is 124.6 secs Computing kpt #: 241 total cpu time spent up to now is 125.1 secs Computing kpt #: 242 total cpu time spent up to now is 125.5 secs Computing kpt #: 243 total cpu time spent up to now is 125.9 secs Computing kpt #: 244 total cpu time spent up to now is 126.4 secs Computing kpt #: 245 total cpu time spent up to now is 127.0 secs Computing kpt #: 246 total cpu time spent up to now is 127.5 secs Computing kpt #: 247 total cpu time spent up to now is 128.1 secs Computing kpt #: 248 total cpu time spent up to now is 128.6 secs Computing kpt #: 249 total cpu time spent up to now is 129.1 secs Computing kpt #: 250 total cpu time spent up to now is 129.6 secs Computing kpt #: 251 total cpu time spent up to now is 130.2 secs Computing kpt #: 252 total cpu time spent up to now is 130.7 secs Computing kpt #: 253 total cpu time spent up to now is 131.3 secs Computing kpt #: 254 total cpu time spent up to now is 131.9 secs Computing kpt #: 255 total cpu time spent up to now is 132.4 secs Computing kpt #: 256 total cpu time spent up to now is 133.0 secs Computing kpt #: 257 total cpu time spent up to now is 133.5 secs Computing kpt #: 258 total cpu time spent up to now is 134.1 secs Computing kpt #: 259 total cpu time spent up to now is 134.6 secs Computing kpt #: 260 total cpu time spent up to now is 135.2 secs Computing kpt #: 261 total cpu time spent up to now is 135.7 secs Computing kpt #: 262 total cpu time spent up to now is 136.2 secs Computing kpt #: 263 total cpu time spent up to now is 136.7 secs Computing kpt #: 264 total cpu time spent up to now is 137.2 secs Computing kpt #: 265 total cpu time spent up to now is 137.6 secs Computing kpt #: 266 total cpu time spent up to now is 138.1 secs Computing kpt #: 267 total cpu time spent up to now is 138.6 secs Computing kpt #: 268 total cpu time spent up to now is 139.1 secs Computing kpt #: 269 total cpu time spent up to now is 139.6 secs Computing kpt #: 270 total cpu time spent up to now is 140.1 secs Computing kpt #: 271 total cpu time spent up to now is 140.6 secs Computing kpt #: 272 total cpu time spent up to now is 141.1 secs Computing kpt #: 273 total cpu time spent up to now is 141.5 secs Computing kpt #: 274 total cpu time spent up to now is 142.0 secs Computing kpt #: 275 total cpu time spent up to now is 142.4 secs Computing kpt #: 276 total cpu time spent up to now is 142.9 secs Computing kpt #: 277 total cpu time spent up to now is 143.3 secs Computing kpt #: 278 total cpu time spent up to now is 143.8 secs Computing kpt #: 279 total cpu time spent up to now is 144.2 secs Computing kpt #: 280 total cpu time spent up to now is 144.7 secs Computing kpt #: 281 total cpu time spent up to now is 145.2 secs Computing kpt #: 282 total cpu time spent up to now is 145.6 secs Computing kpt #: 283 total cpu time spent up to now is 146.1 secs Computing kpt #: 284 total cpu time spent up to now is 146.5 secs Computing kpt #: 285 total cpu time spent up to now is 147.0 secs Computing kpt #: 286 total cpu time spent up to now is 147.4 secs Computing kpt #: 287 total cpu time spent up to now is 147.9 secs Computing kpt #: 288 total cpu time spent up to now is 148.4 secs Computing kpt #: 289 total cpu time spent up to now is 148.9 secs Computing kpt #: 290 total cpu time spent up to now is 149.4 secs Computing kpt #: 291 total cpu time spent up to now is 149.9 secs Computing kpt #: 292 total cpu time spent up to now is 150.4 secs Computing kpt #: 293 total cpu time spent up to now is 150.9 secs Computing kpt #: 294 total cpu time spent up to now is 151.4 secs Computing kpt #: 295 total cpu time spent up to now is 151.9 secs Computing kpt #: 296 total cpu time spent up to now is 152.3 secs Computing kpt #: 297 total cpu time spent up to now is 152.7 secs Computing kpt #: 298 total cpu time spent up to now is 153.1 secs Computing kpt #: 299 total cpu time spent up to now is 153.5 secs Computing kpt #: 300 total cpu time spent up to now is 153.9 secs Computing kpt #: 301 total cpu time spent up to now is 154.3 secs Computing kpt #: 302 total cpu time spent up to now is 154.8 secs Computing kpt #: 303 total cpu time spent up to now is 155.3 secs Computing kpt #: 304 total cpu time spent up to now is 155.8 secs Computing kpt #: 305 total cpu time spent up to now is 156.4 secs Computing kpt #: 306 total cpu time spent up to now is 157.0 secs Computing kpt #: 307 total cpu time spent up to now is 157.6 secs Computing kpt #: 308 total cpu time spent up to now is 158.2 secs Computing kpt #: 309 total cpu time spent up to now is 158.8 secs Computing kpt #: 310 total cpu time spent up to now is 159.3 secs Computing kpt #: 311 total cpu time spent up to now is 159.9 secs Computing kpt #: 312 total cpu time spent up to now is 160.3 secs Computing kpt #: 313 total cpu time spent up to now is 160.8 secs Computing kpt #: 314 total cpu time spent up to now is 161.2 secs Computing kpt #: 315 total cpu time spent up to now is 161.7 secs Computing kpt #: 316 total cpu time spent up to now is 162.1 secs Computing kpt #: 317 total cpu time spent up to now is 162.5 secs Computing kpt #: 318 total cpu time spent up to now is 163.0 secs Computing kpt #: 319 total cpu time spent up to now is 163.4 secs Computing kpt #: 320 total cpu time spent up to now is 163.9 secs Computing kpt #: 321 total cpu time spent up to now is 164.4 secs Computing kpt #: 322 total cpu time spent up to now is 164.9 secs Computing kpt #: 323 total cpu time spent up to now is 165.5 secs Computing kpt #: 324 total cpu time spent up to now is 166.0 secs Computing kpt #: 325 total cpu time spent up to now is 166.5 secs Computing kpt #: 326 total cpu time spent up to now is 167.0 secs Computing kpt #: 327 total cpu time spent up to now is 167.5 secs Computing kpt #: 328 total cpu time spent up to now is 168.0 secs Computing kpt #: 329 total cpu time spent up to now is 168.6 secs Computing kpt #: 330 total cpu time spent up to now is 169.1 secs Computing kpt #: 331 total cpu time spent up to now is 169.6 secs Computing kpt #: 332 total cpu time spent up to now is 170.1 secs Computing kpt #: 333 total cpu time spent up to now is 170.6 secs Computing kpt #: 334 total cpu time spent up to now is 171.1 secs Computing kpt #: 335 total cpu time spent up to now is 171.6 secs Computing kpt #: 336 total cpu time spent up to now is 172.1 secs Computing kpt #: 337 total cpu time spent up to now is 172.6 secs Computing kpt #: 338 total cpu time spent up to now is 173.0 secs Computing kpt #: 339 total cpu time spent up to now is 173.5 secs Computing kpt #: 340 total cpu time spent up to now is 174.0 secs Computing kpt #: 341 total cpu time spent up to now is 174.4 secs Computing kpt #: 342 total cpu time spent up to now is 174.9 secs Computing kpt #: 343 total cpu time spent up to now is 175.4 secs Computing kpt #: 344 total cpu time spent up to now is 175.8 secs Computing kpt #: 345 total cpu time spent up to now is 176.2 secs Computing kpt #: 346 total cpu time spent up to now is 176.7 secs Computing kpt #: 347 total cpu time spent up to now is 177.2 secs Computing kpt #: 348 total cpu time spent up to now is 177.6 secs Computing kpt #: 349 total cpu time spent up to now is 178.0 secs Computing kpt #: 350 total cpu time spent up to now is 178.4 secs Computing kpt #: 351 total cpu time spent up to now is 178.9 secs Computing kpt #: 352 total cpu time spent up to now is 179.4 secs Computing kpt #: 353 total cpu time spent up to now is 179.9 secs Computing kpt #: 354 total cpu time spent up to now is 180.5 secs Computing kpt #: 355 total cpu time spent up to now is 181.0 secs Computing kpt #: 356 total cpu time spent up to now is 181.6 secs Computing kpt #: 357 total cpu time spent up to now is 182.1 secs Computing kpt #: 358 total cpu time spent up to now is 182.7 secs Computing kpt #: 359 total cpu time spent up to now is 183.3 secs Computing kpt #: 360 total cpu time spent up to now is 183.9 secs Computing kpt #: 361 total cpu time spent up to now is 184.5 secs Computing kpt #: 362 total cpu time spent up to now is 185.1 secs Computing kpt #: 363 total cpu time spent up to now is 185.8 secs Computing kpt #: 364 total cpu time spent up to now is 186.4 secs Computing kpt #: 365 total cpu time spent up to now is 187.2 secs Computing kpt #: 366 total cpu time spent up to now is 187.7 secs Computing kpt #: 367 total cpu time spent up to now is 188.3 secs Computing kpt #: 368 total cpu time spent up to now is 188.8 secs Computing kpt #: 369 total cpu time spent up to now is 189.4 secs Computing kpt #: 370 total cpu time spent up to now is 189.9 secs Computing kpt #: 371 total cpu time spent up to now is 190.3 secs Computing kpt #: 372 total cpu time spent up to now is 190.8 secs Computing kpt #: 373 total cpu time spent up to now is 191.2 secs Computing kpt #: 374 total cpu time spent up to now is 191.6 secs Computing kpt #: 375 total cpu time spent up to now is 192.0 secs Computing kpt #: 376 total cpu time spent up to now is 192.4 secs Computing kpt #: 377 total cpu time spent up to now is 192.8 secs Computing kpt #: 378 total cpu time spent up to now is 193.2 secs Computing kpt #: 379 total cpu time spent up to now is 193.6 secs Computing kpt #: 380 total cpu time spent up to now is 194.0 secs Computing kpt #: 381 total cpu time spent up to now is 194.5 secs Computing kpt #: 382 total cpu time spent up to now is 194.9 secs Computing kpt #: 383 total cpu time spent up to now is 195.3 secs Computing kpt #: 384 total cpu time spent up to now is 195.7 secs Computing kpt #: 385 total cpu time spent up to now is 196.1 secs Computing kpt #: 386 total cpu time spent up to now is 196.5 secs Computing kpt #: 387 total cpu time spent up to now is 196.9 secs Computing kpt #: 388 total cpu time spent up to now is 197.3 secs Computing kpt #: 389 total cpu time spent up to now is 197.8 secs Computing kpt #: 390 total cpu time spent up to now is 198.2 secs Computing kpt #: 391 total cpu time spent up to now is 198.6 secs Computing kpt #: 392 total cpu time spent up to now is 199.0 secs Computing kpt #: 393 total cpu time spent up to now is 199.4 secs Computing kpt #: 394 total cpu time spent up to now is 199.8 secs Computing kpt #: 395 total cpu time spent up to now is 200.2 secs Computing kpt #: 396 total cpu time spent up to now is 200.6 secs Computing kpt #: 397 total cpu time spent up to now is 201.1 secs Computing kpt #: 398 total cpu time spent up to now is 201.6 secs Computing kpt #: 399 total cpu time spent up to now is 202.2 secs Computing kpt #: 400 total cpu time spent up to now is 202.7 secs ethr = 2.50E-08, avg # of iterations = 23.8 total cpu time spent up to now is 202.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4555 PWs) bands (ev): -4.4586 -4.4586 -1.9434 -1.9434 -1.4963 -1.4963 -0.9307 -0.9307 3.0387 3.0387 4.1914 4.1914 5.4382 5.4382 5.7449 5.7449 6.4674 6.4674 6.8194 6.8194 6.8528 6.8528 7.0870 7.0870 7.1831 7.1831 8.3768 8.3768 8.6910 8.6910 8.7234 8.7234 8.8128 8.8128 8.8319 8.8319 9.1845 9.1845 9.5093 9.5093 10.2025 10.2025 11.1707 11.1707 12.0436 12.0436 12.4142 12.4142 k = 0.0122-0.0000-0.0000 ( 4559 PWs) bands (ev): -4.4574 -4.4574 -1.9433 -1.9433 -1.4956 -1.4956 -0.9303 -0.9303 3.0401 3.0401 4.1917 4.1917 5.4375 5.4375 5.7453 5.7453 6.4637 6.4637 6.8172 6.8172 6.8492 6.8492 7.0870 7.0870 7.1833 7.1833 8.3818 8.3818 8.6891 8.6891 8.7231 8.7231 8.8119 8.8119 8.8227 8.8227 9.1853 9.1853 9.5121 9.5121 10.2034 10.2034 11.1651 11.1651 12.0439 12.0439 12.3982 12.3982 k = 0.0244-0.0000-0.0000 ( 4555 PWs) bands (ev): -4.4538 -4.4538 -1.9431 -1.9431 -1.4933 -1.4933 -0.9290 -0.9290 3.0443 3.0443 4.1924 4.1924 5.4354 5.4354 5.7467 5.7467 6.4520 6.4520 6.8094 6.8094 6.8404 6.8404 7.0868 7.0868 7.1839 7.1839 8.3963 8.3963 8.6832 8.6832 8.7222 8.7222 8.7951 8.7951 8.8100 8.8100 9.1878 9.1878 9.5198 9.5198 10.2061 10.2061 11.1488 11.1488 12.0447 12.0447 12.3547 12.3547 k = 0.0366-0.0000-0.0000 ( 4557 PWs) bands (ev): -4.4478 -4.4478 -1.9427 -1.9427 -1.4896 -1.4896 -0.9268 -0.9268 3.0513 3.0513 4.1936 4.1936 5.4318 5.4318 5.7489 5.7489 6.4317 6.4317 6.7937 6.7937 6.8311 6.8311 7.0863 7.0863 7.1850 7.1850 8.4186 8.4186 8.6733 8.6733 8.7206 8.7206 8.7523 8.7523 8.8059 8.8059 9.1918 9.1918 9.5310 9.5310 10.2105 10.2105 11.1228 11.1228 12.0449 12.0449 12.2909 12.2909 k = 0.0488-0.0000-0.0000 ( 4557 PWs) bands (ev): -4.4394 -4.4394 -1.9421 -1.9421 -1.4844 -1.4844 -0.9237 -0.9237 3.0611 3.0611 4.1951 4.1951 5.4267 5.4267 5.7520 5.7520 6.4016 6.4016 6.7718 6.7718 6.8230 6.8230 7.0848 7.0848 7.1870 7.1870 8.4468 8.4468 8.6577 8.6577 8.6971 8.6971 8.7189 8.7189 8.8005 8.8005 9.1975 9.1975 9.5441 9.5441 10.2166 10.2166 11.0890 11.0890 12.0431 12.0431 12.2118 12.2118 k = 0.0610-0.0000-0.0000 ( 4569 PWs) bands (ev): -4.4286 -4.4286 -1.9416 -1.9416 -1.4778 -1.4778 -0.9198 -0.9198 3.0737 3.0737 4.1967 4.1967 5.4202 5.4202 5.7558 5.7558 6.3611 6.3611 6.7479 6.7479 6.8150 6.8150 7.0818 7.0818 7.1902 7.1902 8.4782 8.4782 8.6171 8.6171 8.6528 8.6528 8.7160 8.7160 8.7938 8.7938 9.2047 9.2047 9.5573 9.5573 10.2243 10.2243 11.0492 11.0492 12.0362 12.0362 12.1232 12.1232 k = 0.0732-0.0000-0.0000 ( 4567 PWs) bands (ev): -4.4155 -4.4155 -1.9410 -1.9410 -1.4697 -1.4697 -0.9151 -0.9151 3.0890 3.0890 4.1985 4.1985 5.4121 5.4121 5.7603 5.7603 6.3104 6.3104 6.7251 6.7251 6.8064 6.8064 7.0766 7.0766 7.1949 7.1949 8.5064 8.5064 8.5467 8.5467 8.6305 8.6305 8.7127 8.7127 8.7858 8.7858 9.2132 9.2132 9.5696 9.5696 10.2335 10.2335 11.0053 11.0053 11.9977 11.9977 12.0535 12.0535 k = 0.0854-0.0000-0.0000 ( 4563 PWs) bands (ev): -4.4000 -4.4000 -1.9404 -1.9404 -1.4602 -1.4602 -0.9096 -0.9096 3.1071 3.1071 4.2000 4.2000 5.4025 5.4025 5.7654 5.7654 6.2513 6.2513 6.7044 6.7044 6.7968 6.7968 7.0687 7.0687 7.2015 7.2015 8.4511 8.4511 8.5470 8.5470 8.6100 8.6100 8.7088 8.7088 8.7767 8.7767 9.2229 9.2229 9.5801 9.5801 10.2441 10.2441 10.9590 10.9590 11.8989 11.8989 12.0337 12.0337 k = 0.0976-0.0000-0.0000 ( 4567 PWs) bands (ev): -4.3821 -4.3821 -1.9400 -1.9400 -1.4493 -1.4493 -0.9033 -0.9033 3.1280 3.1280 4.2011 4.2011 5.3913 5.3913 5.7709 5.7709 6.1859 6.1859 6.6854 6.6854 6.7864 6.7864 7.0574 7.0574 7.2099 7.2099 8.3594 8.3594 8.5639 8.5639 8.5990 8.5990 8.7046 8.7046 8.7668 8.7668 9.2335 9.2335 9.5882 9.5882 10.2558 10.2558 10.9118 10.9118 11.7870 11.7870 12.0188 12.0188 k = 0.1098-0.0000-0.0000 ( 4579 PWs) bands (ev): -4.3620 -4.3620 -1.9398 -1.9398 -1.4371 -1.4371 -0.8963 -0.8963 3.1515 3.1515 4.2014 4.2014 5.3784 5.3784 5.7765 5.7765 6.1171 6.1171 6.6671 6.6671 6.7757 6.7757 7.0424 7.0424 7.2202 7.2202 8.2622 8.2622 8.5488 8.5488 8.6151 8.6151 8.7005 8.7005 8.7567 8.7567 9.2447 9.2447 9.5938 9.5938 10.2686 10.2686 10.8649 10.8649 11.6714 11.6714 12.0015 12.0015 k = 0.1220-0.0000-0.0000 ( 4581 PWs) bands (ev): -4.3395 -4.3395 -1.9400 -1.9400 -1.4235 -1.4235 -0.8886 -0.8886 3.1777 3.1777 4.2006 4.2006 5.3638 5.3638 5.7821 5.7821 6.0474 6.0474 6.6480 6.6480 6.7652 6.7652 7.0232 7.0232 7.2321 7.2321 8.1617 8.1617 8.5236 8.5236 8.6337 8.6337 8.6976 8.6976 8.7476 8.7476 9.2561 9.2561 9.5966 9.5966 10.2821 10.2821 10.8193 10.8193 11.5546 11.5546 11.9812 11.9812 k = 0.1341-0.0000-0.0000 ( 4585 PWs) bands (ev): -4.3147 -4.3147 -1.9406 -1.9406 -1.4086 -1.4086 -0.8804 -0.8804 3.2065 3.2065 4.1983 4.1983 5.3475 5.3475 5.7872 5.7872 5.9794 5.9794 6.6266 6.6266 6.7556 6.7556 6.9991 6.9991 7.2455 7.2455 8.0599 8.0599 8.4964 8.4964 8.6428 8.6428 8.6970 8.6970 8.7423 8.7423 9.2674 9.2674 9.5967 9.5967 10.2963 10.2963 10.7757 10.7757 11.4382 11.4382 11.9578 11.9578 k = 0.1463-0.0000-0.0000 ( 4581 PWs) bands (ev): -4.2877 -4.2877 -1.9418 -1.9418 -1.3925 -1.3925 -0.8715 -0.8715 3.2380 3.2380 4.1940 4.1940 5.3297 5.3297 5.7906 5.7906 5.9159 5.9159 6.6017 6.6017 6.7476 6.7476 6.9695 6.9695 7.2601 7.2601 7.9584 7.9584 8.4688 8.4688 8.6403 8.6403 8.6957 8.6957 8.7448 8.7448 9.2780 9.2780 9.5941 9.5941 10.3109 10.3109 10.7348 10.7348 11.3237 11.3237 11.9312 11.9312 k = 0.1585-0.0000-0.0000 ( 4586 PWs) bands (ev): -4.2585 -4.2585 -1.9438 -1.9438 -1.3753 -1.3753 -0.8621 -0.8621 3.2720 3.2720 4.1874 4.1874 5.3104 5.3104 5.7884 5.7884 5.8623 5.8623 6.5724 6.5724 6.7414 6.7414 6.9336 6.9336 7.2757 7.2757 7.8591 7.8591 8.4415 8.4415 8.6293 8.6293 8.6905 8.6905 8.7551 8.7551 9.2878 9.2878 9.5889 9.5889 10.3255 10.3255 10.6967 10.6967 11.2119 11.2119 11.9015 11.9015 k = 0.1707-0.0000-0.0000 ( 4582 PWs) bands (ev): -4.2271 -4.2271 -1.9466 -1.9466 -1.3568 -1.3568 -0.8523 -0.8523 3.3084 3.3084 4.1779 4.1779 5.2901 5.2901 5.7677 5.7677 5.8321 5.8321 6.5384 6.5384 6.7372 6.7372 6.8904 6.8904 7.2920 7.2920 7.7637 7.7637 8.4151 8.4151 8.6128 8.6128 8.6832 8.6832 8.7686 8.7686 9.2965 9.2965 9.5812 9.5812 10.3402 10.3402 10.6620 10.6620 11.1040 11.1040 11.8686 11.8686 k = 0.1829-0.0000-0.0000 ( 4586 PWs) bands (ev): -4.1935 -4.1935 -1.9504 -1.9504 -1.3373 -1.3373 -0.8422 -0.8422 3.3474 3.3474 4.1654 4.1654 5.2694 5.2694 5.7290 5.7290 5.8256 5.8256 6.4996 6.4996 6.7344 6.7344 6.8394 6.8394 7.3087 7.3087 7.6741 7.6741 8.3900 8.3900 8.5925 8.5925 8.6754 8.6754 8.7824 8.7824 9.3038 9.3038 9.5711 9.5711 10.3548 10.3548 10.6305 10.6305 11.0006 11.0006 11.8324 11.8324 k = 0.1951-0.0000-0.0000 ( 4578 PWs) bands (ev): -4.1578 -4.1578 -1.9555 -1.9555 -1.3168 -1.3168 -0.8317 -0.8317 3.3886 3.3886 4.1496 4.1496 5.2489 5.2489 5.6894 5.6894 5.8253 5.8253 6.4561 6.4561 6.7304 6.7304 6.7825 6.7825 7.3255 7.3255 7.5917 7.5917 8.3667 8.3667 8.5693 8.5693 8.6676 8.6676 8.7957 8.7957 9.3095 9.3095 9.5588 9.5588 10.3689 10.3689 10.6026 10.6026 10.9026 10.9026 11.7928 11.7928 k = 0.2073-0.0000-0.0000 ( 4570 PWs) bands (ev): -4.1200 -4.1200 -1.9619 -1.9619 -1.2954 -1.2954 -0.8210 -0.8210 3.4321 3.4321 4.1307 4.1307 5.2293 5.2293 5.6545 5.6545 5.8253 5.8253 6.4083 6.4083 6.6980 6.6980 6.7468 6.7468 7.3415 7.3415 7.5177 7.5177 8.3452 8.3452 8.5435 8.5435 8.6602 8.6602 8.8079 8.8079 9.3136 9.3136 9.5445 9.5445 10.3827 10.3827 10.5780 10.5780 10.8106 10.8106 11.7493 11.7493 k = 0.2195-0.0000-0.0000 ( 4574 PWs) bands (ev): -4.0803 -4.0803 -1.9699 -1.9699 -1.2730 -1.2730 -0.8102 -0.8102 3.4777 3.4777 4.1088 4.1088 5.2112 5.2112 5.6251 5.6251 5.8240 5.8240 6.3563 6.3563 6.6251 6.6251 6.7449 6.7449 7.3545 7.3545 7.4541 7.4541 8.3257 8.3257 8.5157 8.5157 8.6533 8.6533 8.8191 8.8191 9.3159 9.3159 9.5283 9.5283 10.3957 10.3957 10.5563 10.5563 10.7256 10.7256 11.7018 11.7018 k = 0.2317-0.0000-0.0000 ( 4576 PWs) bands (ev): -4.0385 -4.0385 -1.9795 -1.9795 -1.2499 -1.2499 -0.7993 -0.7993 3.5252 3.5252 4.0846 4.0846 5.1952 5.1952 5.6014 5.6014 5.8202 5.8202 6.3006 6.3006 6.5419 6.5419 6.7481 6.7481 7.3527 7.3527 7.4118 7.4118 8.3082 8.3082 8.4863 8.4863 8.6470 8.6470 8.8292 8.8292 9.3164 9.3164 9.5105 9.5105 10.4078 10.4078 10.5366 10.5366 10.6491 10.6491 11.6500 11.6500 k = 0.2439-0.0000-0.0000 ( 4580 PWs) bands (ev): -3.9948 -3.9948 -1.9911 -1.9911 -1.2261 -1.2261 -0.7885 -0.7885 3.5742 3.5742 4.0590 4.0590 5.1813 5.1813 5.5830 5.5830 5.8128 5.8128 6.2418 6.2418 6.4538 6.4538 6.7533 6.7533 7.3167 7.3167 7.4087 7.4087 8.2928 8.2928 8.4557 8.4557 8.6416 8.6416 8.8385 8.8385 9.3152 9.3152 9.4911 9.4911 10.4183 10.4183 10.5152 10.5152 10.5858 10.5858 11.5940 11.5940 k = 0.2561-0.0000-0.0000 ( 4582 PWs) bands (ev): -3.9493 -3.9493 -2.0047 -2.0047 -1.2016 -1.2016 -0.7779 -0.7779 3.6244 3.6244 4.0332 4.0332 5.1694 5.1694 5.5694 5.5694 5.8004 5.8004 6.1804 6.1804 6.3641 6.3641 6.7600 6.7600 7.2702 7.2702 7.4195 7.4195 8.2794 8.2794 8.4244 8.4244 8.6371 8.6371 8.8471 8.8471 9.3122 9.3122 9.4704 9.4704 10.4235 10.4235 10.4849 10.4849 10.5466 10.5466 11.5343 11.5343 k = 0.2683-0.0000-0.0000 ( 4570 PWs) bands (ev): -3.9020 -3.9020 -2.0205 -2.0205 -1.1767 -1.1767 -0.7675 -0.7675 3.6749 3.6749 4.0089 4.0089 5.1592 5.1592 5.5601 5.5601 5.7813 5.7813 6.1179 6.1179 6.2758 6.2758 6.7678 6.7678 7.2240 7.2240 7.4316 7.4316 8.2676 8.2676 8.3928 8.3928 8.6339 8.6339 8.8549 8.8549 9.3074 9.3074 9.4487 9.4487 10.4067 10.4067 10.4638 10.4638 10.5306 10.5306 11.4720 11.4720 k = 0.2805-0.0000-0.0000 ( 4586 PWs) bands (ev): -3.8529 -3.8529 -2.0386 -2.0386 -1.1513 -1.1513 -0.7575 -0.7575 3.7238 3.7238 3.9886 3.9886 5.1501 5.1501 5.5537 5.5537 5.7532 5.7532 6.0563 6.0563 6.1918 6.1918 6.7769 6.7769 7.1788 7.1788 7.4427 7.4427 8.2572 8.2572 8.3614 8.3614 8.6321 8.6321 8.8621 8.8621 9.3009 9.3009 9.4262 9.4262 10.3660 10.3660 10.4664 10.4664 10.5248 10.5248 11.4084 11.4084 k = 0.2927-0.0000-0.0000 ( 4588 PWs) bands (ev): -3.8022 -3.8022 -2.0592 -2.0592 -1.1256 -1.1256 -0.7480 -0.7480 3.7678 3.7678 3.9767 3.9767 5.1418 5.1418 5.5472 5.5472 5.7155 5.7155 5.9988 5.9988 6.1141 6.1141 6.7871 6.7871 7.1343 7.1343 7.4518 7.4518 8.2480 8.2480 8.3313 8.3313 8.6319 8.6319 8.8689 8.8689 9.2927 9.2927 9.4029 9.4029 10.3242 10.3242 10.4746 10.4746 10.5247 10.5247 11.3450 11.3450 k = 0.3049-0.0000-0.0000 ( 4578 PWs) bands (ev): -3.7500 -3.7500 -2.0824 -2.0824 -1.0997 -1.0997 -0.7390 -0.7390 3.8004 3.8004 3.9804 3.9804 5.1339 5.1339 5.5323 5.5323 5.6741 5.6741 5.9472 5.9472 6.0443 6.0443 6.7984 6.7984 7.0900 7.0900 7.4583 7.4583 8.2394 8.2394 8.3032 8.3032 8.6335 8.6335 8.8753 8.8753 9.2829 9.2829 9.3793 9.3793 10.2872 10.2872 10.4838 10.4838 10.5290 10.5290 11.2827 11.2827 k = 0.3171-0.0000-0.0000 ( 4580 PWs) bands (ev): -3.6962 -3.6962 -2.1082 -2.1082 -1.0737 -1.0737 -0.7308 -0.7308 3.8161 3.8161 4.0057 4.0057 5.1259 5.1259 5.4930 5.4930 5.6458 5.6458 5.8999 5.8999 5.9841 5.9841 6.8108 6.8108 7.0454 7.0454 7.4616 7.4616 8.2304 8.2304 8.2786 8.2786 8.6369 8.6369 8.8812 8.8812 9.2714 9.2714 9.3555 9.3555 10.2562 10.2562 10.4931 10.4931 10.5372 10.5372 11.2222 11.2222 k = 0.3293-0.0000-0.0000 ( 4578 PWs) bands (ev): -3.6411 -3.6411 -2.1367 -2.1367 -1.0477 -1.0477 -0.7233 -0.7233 3.8186 3.8186 4.0494 4.0494 5.1177 5.1177 5.4246 5.4246 5.6377 5.6377 5.8530 5.8530 5.9361 5.9361 6.8242 6.8242 7.0003 7.0003 7.4612 7.4612 8.2196 8.2196 8.2592 8.2592 8.6424 8.6424 8.8870 8.8870 9.2586 9.2586 9.3317 9.3317 10.2314 10.2314 10.5023 10.5023 10.5491 10.5491 11.1642 11.1642 k = 0.3415-0.0000-0.0000 ( 4578 PWs) bands (ev): -3.5848 -3.5848 -2.1680 -2.1680 -1.0218 -1.0218 -0.7167 -0.7167 3.8161 3.8161 4.1038 4.1038 5.1089 5.1089 5.3400 5.3400 5.6385 5.6385 5.8051 5.8051 5.9011 5.9011 6.8384 6.8384 6.9547 6.9547 7.4569 7.4569 8.2064 8.2064 8.2460 8.2460 8.6500 8.6500 8.8924 8.8924 9.2443 9.2443 9.3081 9.3081 10.2130 10.2130 10.5114 10.5114 10.5645 10.5645 11.1088 11.1088 k = 0.3537-0.0000-0.0000 ( 4570 PWs) bands (ev): -3.5272 -3.5272 -2.2021 -2.2021 -0.9962 -0.9962 -0.7112 -0.7112 3.8139 3.8139 4.1638 4.1638 5.0984 5.0984 5.2496 5.2496 5.6364 5.6364 5.7595 5.7595 5.8785 5.8785 6.8522 6.8522 6.9098 6.9098 7.4484 7.4484 8.1925 8.1925 8.2376 8.2376 8.6597 8.6597 8.8976 8.8976 9.2288 9.2288 9.2849 9.2849 10.2006 10.2006 10.5206 10.5206 10.5831 10.5831 11.0563 11.0563 k = 0.3659-0.0000-0.0000 ( 4566 PWs) bands (ev): -3.4686 -3.4686 -2.2389 -2.2389 -0.9710 -0.9710 -0.7068 -0.7068 3.8144 3.8144 4.2267 4.2267 5.0806 5.0806 5.1640 5.1640 5.6217 5.6217 5.7205 5.7205 5.8695 5.8695 6.8482 6.8482 6.8827 6.8827 7.4357 7.4357 8.1800 8.1800 8.2317 8.2317 8.6714 8.6714 8.9025 8.9025 9.2123 9.2123 9.2621 9.2621 10.1943 10.1943 10.5300 10.5300 10.6048 10.6048 11.0067 11.0067 k = 0.3780-0.0000-0.0000 ( 4568 PWs) bands (ev): -3.4091 -3.4091 -2.2784 -2.2784 -0.9463 -0.9463 -0.7036 -0.7036 3.8192 3.8192 4.2909 4.2909 5.0289 5.0289 5.1128 5.1128 5.5917 5.5917 5.6872 5.6872 5.8756 5.8756 6.8055 6.8055 6.8948 6.8948 7.4190 7.4190 8.1702 8.1702 8.2270 8.2270 8.6852 8.6852 8.9071 8.9071 9.1951 9.1951 9.2399 9.2399 10.1937 10.1937 10.5396 10.5396 10.6291 10.6291 10.9598 10.9598 k = 0.3902-0.0000-0.0000 ( 4564 PWs) bands (ev): -3.3487 -3.3487 -2.3206 -2.3206 -0.9222 -0.9222 -0.7017 -0.7017 3.8290 3.8290 4.3548 4.3548 4.9455 4.9455 5.0960 5.0960 5.5532 5.5532 5.6537 5.6537 5.8952 5.8952 6.7567 6.7567 6.9132 6.9132 7.3988 7.3988 8.1632 8.1632 8.2229 8.2229 8.7008 8.7008 8.9113 8.9113 9.1775 9.1775 9.2181 9.2181 10.1987 10.1987 10.5495 10.5495 10.6556 10.6556 10.9156 10.9156 k = 0.4024-0.0000-0.0000 ( 4560 PWs) bands (ev): -3.2878 -3.2878 -2.3653 -2.3653 -0.8989 -0.8989 -0.7011 -0.7011 3.8441 3.8441 4.4161 4.4161 4.8600 4.8600 5.0870 5.0870 5.5127 5.5127 5.6168 5.6168 5.9246 5.9246 6.7065 6.7065 6.9335 6.9335 7.3754 7.3754 8.1591 8.1591 8.2190 8.2190 8.7181 8.7181 8.9150 8.9150 9.1599 9.1599 9.1970 9.1970 10.2090 10.2090 10.5598 10.5598 10.6827 10.6827 10.8742 10.8742 k = 0.4146-0.0000-0.0000 ( 4568 PWs) bands (ev): -3.2263 -3.2263 -2.4124 -2.4124 -0.8764 -0.8764 -0.7020 -0.7020 3.8648 3.8648 4.4697 4.4697 4.7833 4.7833 5.0800 5.0800 5.4733 5.4733 5.5763 5.5763 5.9606 5.9606 6.6554 6.6554 6.9553 6.9553 7.3495 7.3495 8.1574 8.1574 8.2152 8.2152 8.7367 8.7367 8.9180 8.9180 9.1428 9.1428 9.1767 9.1767 10.2243 10.2243 10.5706 10.5706 10.7059 10.7059 10.8380 10.8380 k = 0.4268-0.0000-0.0000 ( 4562 PWs) bands (ev): -3.1644 -3.1644 -2.4617 -2.4617 -0.8550 -0.8550 -0.7044 -0.7044 3.8913 3.8913 4.5008 4.5008 4.7310 4.7310 5.0735 5.0735 5.4368 5.4368 5.5334 5.5334 6.0011 6.0011 6.6037 6.6037 6.9783 6.9783 7.3216 7.3216 8.1578 8.1578 8.2112 8.2112 8.7566 8.7566 8.9200 8.9200 9.1265 9.1265 9.1574 9.1574 10.2444 10.2444 10.5820 10.5820 10.7113 10.7113 10.8168 10.8168 k = 0.4390-0.0000-0.0000 ( 4562 PWs) bands (ev): -3.1024 -3.1024 -2.5132 -2.5132 -0.8346 -0.8346 -0.7084 -0.7084 3.9235 3.9235 4.4857 4.4857 4.7273 4.7273 5.0666 5.0666 5.4041 5.4041 5.4896 5.4896 6.0449 6.0449 6.5517 6.5517 7.0026 7.0026 7.2923 7.2923 8.1598 8.1598 8.2070 8.2070 8.7774 8.7774 8.9204 8.9204 9.1117 9.1117 9.1395 9.1395 10.2692 10.2692 10.5939 10.5939 10.6857 10.6857 10.7996 10.7996 k = 0.4512-0.0000-0.0000 ( 4556 PWs) bands (ev): -3.0404 -3.0404 -2.5666 -2.5666 -0.8154 -0.8154 -0.7140 -0.7140 3.9615 3.9615 4.4323 4.4323 4.7638 4.7638 5.0578 5.0578 5.3762 5.3762 5.4466 5.4466 6.0912 6.0912 6.4994 6.4994 7.0280 7.0280 7.2621 7.2621 8.1631 8.1631 8.2026 8.2026 8.7987 8.7987 8.9187 8.9187 9.0989 9.0989 9.1233 9.1233 10.2982 10.2982 10.6051 10.6051 10.6448 10.6448 10.7708 10.7708 k = 0.4634-0.0000-0.0000 ( 4552 PWs) bands (ev): -2.9785 -2.9785 -2.6218 -2.6218 -0.7975 -0.7975 -0.7212 -0.7212 4.0050 4.0050 4.3657 4.3657 4.8150 4.8150 5.0454 5.0454 5.3539 5.3539 5.4068 5.4068 6.1393 6.1393 6.4470 6.4470 7.0545 7.0545 7.2314 7.2314 8.1673 8.1673 8.1979 8.1979 8.8201 8.8201 8.9140 8.9140 9.0890 9.0890 9.1091 9.1091 10.3312 10.3312 10.5894 10.5894 10.6270 10.6270 10.7433 10.7433 k = 0.4756-0.0000-0.0000 ( 4560 PWs) bands (ev): -2.9170 -2.9170 -2.6786 -2.6786 -0.7810 -0.7810 -0.7300 -0.7300 4.0540 4.0540 4.2971 4.2971 4.8687 4.8687 5.0270 5.0270 5.3386 5.3386 5.3732 5.3732 6.1887 6.1887 6.3946 6.3946 7.0821 7.0821 7.2006 7.2006 8.1721 8.1721 8.1929 8.1929 8.8410 8.8410 8.9059 8.9059 9.0827 9.0827 9.0973 9.0973 10.3678 10.3678 10.5432 10.5432 10.6402 10.6402 10.7183 10.7183 k = 0.4878-0.0000-0.0000 ( 4572 PWs) bands (ev): -2.8561 -2.8561 -2.7366 -2.7366 -0.7659 -0.7659 -0.7404 -0.7404 4.1081 4.1081 4.2303 4.2303 4.9195 4.9195 5.0002 5.0002 5.3316 5.3316 5.3485 5.3485 6.2392 6.2392 6.3424 6.3424 7.1107 7.1107 7.1701 7.1701 8.1772 8.1772 8.1878 8.1878 8.8608 8.8608 8.8940 8.8940 9.0806 9.0806 9.0882 9.0882 10.4077 10.4077 10.4961 10.4961 10.6568 10.6568 10.6957 10.6957 k = 0.5000-0.0000-0.0000 ( 4564 PWs) bands (ev): -2.7959 -2.7959 -2.7959 -2.7959 -0.7524 -0.7524 -0.7524 -0.7524 4.1670 4.1670 4.1670 4.1670 4.9641 4.9641 4.9641 4.9641 5.3346 5.3346 5.3346 5.3346 6.2905 6.2905 6.2905 6.2905 7.1401 7.1401 7.1401 7.1401 8.1825 8.1825 8.1825 8.1825 8.8787 8.8787 8.8787 8.8787 9.0826 9.0826 9.0826 9.0826 10.4507 10.4507 10.4507 10.4507 10.6753 10.6753 10.6753 10.6753 k = 0.5000-0.0000-0.0000 ( 4564 PWs) bands (ev): -2.7959 -2.7959 -2.7959 -2.7959 -0.7524 -0.7524 -0.7524 -0.7524 4.1670 4.1670 4.1670 4.1670 4.9641 4.9641 4.9641 4.9641 5.3346 5.3346 5.3346 5.3346 6.2905 6.2905 6.2905 6.2905 7.1401 7.1401 7.1401 7.1401 8.1825 8.1825 8.1825 8.1825 8.8787 8.8787 8.8787 8.8787 9.0826 9.0826 9.0826 9.0826 10.4507 10.4507 10.4507 10.4507 10.6753 10.6753 10.6753 10.6753 k = 0.5000 0.0120-0.0000 ( 4564 PWs) bands (ev): -2.7951 -2.7951 -2.7950 -2.7950 -0.7537 -0.7537 -0.7536 -0.7536 4.1654 4.1654 4.1704 4.1704 4.9412 4.9412 4.9567 4.9567 5.3385 5.3385 5.3657 5.3657 6.2816 6.2816 6.2917 6.2917 7.1394 7.1394 7.1419 7.1419 8.1780 8.1780 8.1845 8.1845 8.8780 8.8780 8.8797 8.8797 9.0820 9.0820 9.0833 9.0833 10.4473 10.4473 10.4504 10.4504 10.6594 10.6594 10.6831 10.6831 k = 0.5000 0.0240-0.0000 ( 4572 PWs) bands (ev): -2.7925 -2.7925 -2.7924 -2.7924 -0.7577 -0.7577 -0.7575 -0.7575 4.1656 4.1656 4.1754 4.1754 4.8979 4.8979 4.9221 4.9221 5.3742 5.3742 5.4221 5.4221 6.2649 6.2649 6.2853 6.2853 7.1397 7.1397 7.1447 7.1447 8.1713 8.1713 8.1841 8.1841 8.8776 8.8776 8.8810 8.8810 9.0817 9.0817 9.0843 9.0843 10.4402 10.4402 10.4464 10.4464 10.6383 10.6383 10.6818 10.6818 k = 0.5000 0.0360-0.0000 ( 4576 PWs) bands (ev): -2.7882 -2.7882 -2.7880 -2.7880 -0.7643 -0.7643 -0.7640 -0.7640 4.1673 4.1673 4.1822 4.1822 4.8452 4.8452 4.8722 4.8722 5.4289 5.4289 5.4926 5.4926 6.2409 6.2409 6.2723 6.2723 7.1403 7.1403 7.1479 7.1479 8.1629 8.1629 8.1816 8.1816 8.8776 8.8776 8.8826 8.8826 9.0817 9.0817 9.0854 9.0854 10.4298 10.4298 10.4386 10.4386 10.6153 10.6153 10.6730 10.6730 k = 0.5000 0.0481-0.0000 ( 4576 PWs) bands (ev): -2.7822 -2.7822 -2.7819 -2.7819 -0.7735 -0.7735 -0.7730 -0.7730 4.1706 4.1706 4.1905 4.1905 4.7896 4.7896 4.8166 4.8166 5.4927 5.4927 5.5707 5.5707 6.2108 6.2108 6.2540 6.2540 7.1403 7.1403 7.1508 7.1508 8.1536 8.1536 8.1775 8.1775 8.8778 8.8778 8.8845 8.8845 9.0818 9.0818 9.0867 9.0867 10.4164 10.4164 10.4274 10.4274 10.5930 10.5930 10.6596 10.6596 k = 0.5000 0.0601-0.0000 ( 4574 PWs) bands (ev): -2.7745 -2.7745 -2.7742 -2.7742 -0.7852 -0.7852 -0.7846 -0.7846 4.1752 4.1752 4.2001 4.2001 4.7344 4.7344 4.7601 4.7601 5.5591 5.5591 5.6524 5.6524 6.1756 6.1756 6.2326 6.2326 7.1385 7.1385 7.1521 7.1521 8.1444 8.1444 8.1728 8.1728 8.8784 8.8784 8.8867 8.8867 9.0822 9.0822 9.0881 9.0881 10.4005 10.4005 10.4128 10.4128 10.5732 10.5732 10.6442 10.6442 k = 0.5000 0.0721-0.0000 ( 4570 PWs) bands (ev): -2.7651 -2.7651 -2.7647 -2.7647 -0.7993 -0.7993 -0.7987 -0.7987 4.1809 4.1809 4.2109 4.2109 4.6818 4.6818 4.7057 4.7057 5.6233 5.6233 5.7344 5.7344 6.1373 6.1373 6.2107 6.2107 7.1335 7.1335 7.1510 7.1510 8.1365 8.1365 8.1684 8.1684 8.8793 8.8793 8.8892 8.8892 9.0828 9.0828 9.0895 9.0895 10.3827 10.3827 10.3955 10.3955 10.5567 10.5567 10.6288 10.6288 k = 0.5000 0.0841-0.0000 ( 4568 PWs) bands (ev): -2.7541 -2.7541 -2.7537 -2.7537 -0.8158 -0.8158 -0.8151 -0.8151 4.1872 4.1872 4.2222 4.2222 4.6329 4.6329 4.6551 4.6551 5.6802 5.6802 5.8121 5.8121 6.1001 6.1001 6.1926 6.1926 7.1242 7.1242 7.1463 7.1463 8.1312 8.1312 8.1653 8.1653 8.8806 8.8806 8.8919 8.8919 9.0835 9.0835 9.0910 9.0910 10.3638 10.3638 10.3763 10.3763 10.5441 10.5441 10.6144 10.6144 k = 0.5000 0.0961-0.0000 ( 4570 PWs) bands (ev): -2.7415 -2.7415 -2.7410 -2.7410 -0.8347 -0.8347 -0.8338 -0.8338 4.1938 4.1938 4.2334 4.2334 4.5889 4.5889 4.6097 4.6097 5.7240 5.7240 5.8743 5.8743 6.0749 6.0749 6.1837 6.1837 7.1094 7.1094 7.1371 7.1371 8.1296 8.1296 8.1647 8.1647 8.8821 8.8821 8.8949 8.8949 9.0843 9.0843 9.0925 9.0925 10.3445 10.3445 10.3563 10.3563 10.5352 10.5352 10.6018 10.6018 k = 0.5000 0.1081-0.0000 ( 4570 PWs) bands (ev): -2.7274 -2.7274 -2.7268 -2.7268 -0.8557 -0.8557 -0.8547 -0.8547 4.1999 4.1999 4.2436 4.2436 4.5507 4.5507 4.5710 4.5710 5.7486 5.7486 5.8946 5.8946 6.0877 6.0877 6.1900 6.1900 7.0884 7.0884 7.1228 7.1228 8.1326 8.1326 8.1676 8.1676 8.8840 8.8840 8.8981 8.8981 9.0852 9.0852 9.0939 9.0939 10.3255 10.3255 10.3365 10.3365 10.5297 10.5297 10.5912 10.5912 k = 0.5000 0.1201-0.0000 ( 4578 PWs) bands (ev): -2.7118 -2.7118 -2.7111 -2.7111 -0.8788 -0.8788 -0.8777 -0.8777 4.2047 4.2047 4.2514 4.2514 4.5194 4.5194 4.5403 4.5403 5.7510 5.7510 5.8688 5.8688 6.1425 6.1425 6.2141 6.2141 7.0608 7.0608 7.1030 7.1030 8.1411 8.1411 8.1749 8.1749 8.8861 8.8861 8.9016 8.9016 9.0861 9.0861 9.0953 9.0953 10.3075 10.3075 10.3177 10.3177 10.5276 10.5276 10.5829 10.5829 k = 0.5000 0.1321-0.0000 ( 4582 PWs) bands (ev): -2.6948 -2.6948 -2.6940 -2.6940 -0.9038 -0.9038 -0.9026 -0.9026 4.2076 4.2076 4.2556 4.2556 4.4956 4.4956 4.5192 4.5192 5.7341 5.7341 5.8229 5.8229 6.2130 6.2130 6.2531 6.2531 7.0267 7.0267 7.0775 7.0775 8.1553 8.1553 8.1872 8.1872 8.8886 8.8886 8.9053 8.9053 9.0871 9.0871 9.0967 9.0967 10.2912 10.2912 10.3007 10.3007 10.5287 10.5287 10.5768 10.5768 k = 0.5000 0.1442-0.0000 ( 4582 PWs) bands (ev): -2.6764 -2.6764 -2.6756 -2.6756 -0.9306 -0.9306 -0.9293 -0.9293 4.2078 4.2078 4.2550 4.2550 4.4800 4.4800 4.5086 4.5086 5.7035 5.7035 5.7700 5.7700 6.2861 6.2861 6.3010 6.3010 6.9866 6.9866 7.0469 7.0469 8.1753 8.1753 8.2047 8.2047 8.8915 8.8915 8.9093 8.9093 9.0882 9.0882 9.0980 9.0980 10.2771 10.2771 10.2859 10.2859 10.5331 10.5331 10.5731 10.5731 k = 0.5000 0.1562-0.0000 ( 4582 PWs) bands (ev): -2.6568 -2.6568 -2.6559 -2.6559 -0.9590 -0.9590 -0.9575 -0.9575 4.2055 4.2055 4.2498 4.2498 4.4723 4.4723 4.5081 4.5081 5.6646 5.6646 5.7144 5.7144 6.3523 6.3523 6.3567 6.3567 6.9416 6.9416 7.0117 7.0117 8.2005 8.2005 8.2273 8.2273 8.8947 8.8947 8.9136 8.9136 9.0893 9.0893 9.0993 9.0993 10.2656 10.2656 10.2736 10.2736 10.5410 10.5410 10.5718 10.5718 k = 0.5000 0.1682-0.0000 ( 4578 PWs) bands (ev): -2.6361 -2.6361 -2.6351 -2.6351 -0.9888 -0.9888 -0.9872 -0.9872 4.2011 4.2011 4.2416 4.2416 4.4717 4.4717 4.5159 4.5159 5.6212 5.6212 5.6580 5.6580 6.4023 6.4023 6.4225 6.4225 6.8933 6.8933 6.9734 6.9734 8.2303 8.2303 8.2548 8.2548 8.8981 8.8981 8.9181 8.9181 9.0904 9.0904 9.1006 9.1006 10.2569 10.2569 10.2640 10.2640 10.5527 10.5527 10.5732 10.5732 k = 0.5000 0.1802-0.0000 ( 4584 PWs) bands (ev): -2.6144 -2.6144 -2.6133 -2.6133 -1.0197 -1.0197 -1.0180 -1.0180 4.1958 4.1958 4.2321 4.2321 4.4766 4.4766 4.5298 4.5298 5.5760 5.5760 5.6021 5.6021 6.4470 6.4470 6.4811 6.4811 6.8444 6.8444 6.9339 6.9339 8.2639 8.2639 8.2864 8.2864 8.9020 8.9020 8.9228 8.9228 9.0915 9.0915 9.1018 9.1018 10.2512 10.2512 10.2569 10.2569 10.5684 10.5684 10.5773 10.5773 k = 0.5000 0.1922-0.0000 ( 4604 PWs) bands (ev): -2.5918 -2.5918 -2.5907 -2.5907 -1.0516 -1.0516 -1.0497 -1.0497 4.1908 4.1908 4.2231 4.2231 4.4855 4.4855 4.5474 4.5474 5.5310 5.5310 5.5476 5.5476 6.4811 6.4811 6.5296 6.5296 6.7995 6.7995 6.8963 6.8963 8.3003 8.3003 8.3214 8.3214 8.9061 8.9061 8.9277 8.9277 9.0926 9.0926 9.1028 9.1028 10.2485 10.2485 10.2523 10.2523 10.5844 10.5844 10.5887 10.5887 k = 0.5000 0.2042-0.0000 ( 4616 PWs) bands (ev): -2.5686 -2.5686 -2.5673 -2.5673 -1.0841 -1.0841 -1.0821 -1.0821 4.1871 4.1871 4.2157 4.2157 4.4965 4.4965 4.5666 4.5666 5.4882 5.4882 5.4955 5.4955 6.4968 6.4968 6.5635 6.5635 6.7665 6.7665 6.8656 6.8656 8.3384 8.3384 8.3587 8.3587 8.9107 8.9107 8.9329 8.9329 9.0938 9.0938 9.1040 9.1040 10.2486 10.2486 10.2500 10.2500 10.5950 10.5950 10.6140 10.6140 k = 0.5000 0.2162-0.0000 ( 4612 PWs) bands (ev): -2.5448 -2.5448 -2.5434 -2.5434 -1.1170 -1.1170 -1.1148 -1.1148 4.1854 4.1854 4.2107 4.2107 4.5083 4.5083 4.5857 4.5857 5.4466 5.4466 5.4490 5.4490 6.4858 6.4858 6.5767 6.5767 6.7538 6.7538 6.8485 6.8485 8.3771 8.3771 8.3973 8.3973 8.9157 8.9157 8.9384 8.9384 9.0951 9.0951 9.1052 9.1052 10.2495 10.2495 10.2515 10.2515 10.6094 10.6094 10.6448 10.6448 k = 0.5000 0.2282-0.0000 ( 4610 PWs) bands (ev): -2.5208 -2.5208 -2.5193 -2.5193 -1.1498 -1.1498 -1.1475 -1.1475 4.1862 4.1862 4.2086 4.2086 4.5193 4.5193 4.6029 4.6029 5.4019 5.4019 5.4152 5.4152 6.4490 6.4490 6.5664 6.5664 6.7610 6.7610 6.8489 6.8489 8.4154 8.4154 8.4360 8.4360 8.9211 8.9211 8.9440 8.9440 9.0964 9.0964 9.1063 9.1063 10.2505 10.2505 10.2565 10.2565 10.6279 10.6279 10.6815 10.6815 k = 0.5000 0.2403-0.0000 ( 4604 PWs) bands (ev): -2.4967 -2.4967 -2.4951 -2.4951 -1.1824 -1.1824 -1.1799 -1.1799 4.1899 4.1899 4.2095 4.2095 4.5282 4.5282 4.6168 4.6168 5.3622 5.3622 5.3883 5.3883 6.3957 6.3957 6.5372 6.5372 6.7794 6.7794 6.8629 6.8629 8.4522 8.4522 8.4737 8.4737 8.9269 8.9269 8.9498 8.9498 9.0979 9.0979 9.1074 9.1074 10.2525 10.2525 10.2630 10.2630 10.6509 10.6509 10.7240 10.7240 k = 0.5000 0.2523-0.0000 ( 4608 PWs) bands (ev): -2.4730 -2.4730 -2.4713 -2.4713 -1.2141 -1.2141 -1.2116 -1.2116 4.1965 4.1965 4.2134 4.2134 4.5339 4.5339 4.6258 4.6258 5.3283 5.3283 5.3700 5.3700 6.3339 6.3339 6.4972 6.4972 6.8017 6.8017 6.8834 6.8834 8.4867 8.4867 8.5093 8.5093 8.9328 8.9328 8.9555 8.9555 9.0993 9.0993 9.1085 9.1085 10.2551 10.2551 10.2705 10.2705 10.6785 10.6785 10.7722 10.7722 k = 0.5000 0.2643-0.0000 ( 4608 PWs) bands (ev): -2.4499 -2.4499 -2.4480 -2.4480 -1.2447 -1.2447 -1.2420 -1.2420 4.2061 4.2061 4.2203 4.2203 4.5354 4.5354 4.6289 4.6289 5.3009 5.3009 5.3612 5.3612 6.2680 6.2680 6.4526 6.4526 6.8242 6.8242 6.9056 6.9056 8.5183 8.5183 8.5421 8.5421 8.9390 8.9390 8.9613 8.9613 9.1008 9.1008 9.1096 9.1096 10.2581 10.2581 10.2782 10.2782 10.7104 10.7104 10.8255 10.8255 k = 0.5000 0.2763-0.0000 ( 4604 PWs) bands (ev): -2.4279 -2.4279 -2.4258 -2.4258 -1.2736 -1.2736 -1.2707 -1.2707 4.2186 4.2186 4.2299 4.2299 4.5319 4.5319 4.6257 4.6257 5.2802 5.2802 5.3625 5.3625 6.2006 6.2006 6.4070 6.4070 6.8450 6.8450 6.9268 6.9268 8.5464 8.5464 8.5713 8.5713 8.9452 8.9452 8.9669 8.9669 9.1024 9.1024 9.1108 9.1108 10.2611 10.2611 10.2857 10.2857 10.7458 10.7458 10.8826 10.8826 k = 0.5000 0.2883-0.0000 ( 4604 PWs) bands (ev): -2.4073 -2.4073 -2.4051 -2.4051 -1.3003 -1.3003 -1.2973 -1.2973 4.2338 4.2338 4.2419 4.2419 4.5233 4.5233 4.6165 4.6165 5.2661 5.2661 5.3734 5.3734 6.1336 6.1336 6.3630 6.3630 6.8636 6.8636 6.9459 6.9459 8.5708 8.5708 8.5966 8.5966 8.9512 8.9512 8.9721 8.9721 9.1039 9.1039 9.1118 9.1118 10.2639 10.2639 10.2926 10.2926 10.7835 10.7835 10.9420 10.9420 k = 0.5000 0.3003-0.0000 ( 4604 PWs) bands (ev): -2.3887 -2.3887 -2.3864 -2.3864 -1.3243 -1.3243 -1.3211 -1.3211 4.2515 4.2515 4.2557 4.2557 4.5099 4.5099 4.6026 4.6026 5.2577 5.2577 5.3927 5.3927 6.0683 6.0683 6.3223 6.3223 6.8794 6.8794 6.9622 6.9622 8.5913 8.5913 8.6178 8.6178 8.9568 8.9568 8.9769 8.9769 9.1054 9.1054 9.1127 9.1127 10.2664 10.2664 10.2986 10.2986 10.8218 10.8218 11.0013 11.0013 k = 0.5000 0.3123-0.0000 ( 4600 PWs) bands (ev): -2.3725 -2.3725 -2.3701 -2.3701 -1.3449 -1.3449 -1.3416 -1.3416 4.2706 4.2706 4.2712 4.2712 4.4925 4.4925 4.5858 4.5858 5.2539 5.2539 5.4183 5.4183 6.0064 6.0064 6.2865 6.2865 6.8923 6.8923 6.9757 6.9757 8.6079 8.6079 8.6348 8.6348 8.9618 8.9618 8.9810 8.9810 9.1068 9.1068 9.1136 9.1136 10.2686 10.2686 10.3036 10.3036 10.8583 10.8583 11.0576 11.0576 k = 0.5000 0.3244-0.0000 ( 4608 PWs) bands (ev): -2.3592 -2.3592 -2.3567 -2.3567 -1.3617 -1.3617 -1.3583 -1.3583 4.2854 4.2854 4.2921 4.2921 4.4724 4.4724 4.5682 4.5682 5.2532 5.2532 5.4471 5.4471 5.9502 5.9502 6.2570 6.2570 6.9023 6.9023 6.9861 6.9861 8.6206 8.6206 8.6478 8.6478 8.9659 8.9659 8.9843 8.9843 9.1079 9.1079 9.1143 9.1143 10.2703 10.2703 10.3074 10.3074 10.8905 10.8905 11.1075 11.1075 k = 0.5000 0.3364-0.0000 ( 4608 PWs) bands (ev): -2.3494 -2.3494 -2.3468 -2.3468 -1.3741 -1.3741 -1.3706 -1.3706 4.2985 4.2985 4.3129 4.3129 4.4516 4.4516 4.5524 4.5524 5.2540 5.2540 5.4752 5.4752 5.9032 5.9032 6.2348 6.2348 6.9095 6.9095 6.9935 6.9935 8.6296 8.6296 8.6569 8.6569 8.9690 8.9690 8.9868 8.9868 9.1088 9.1088 9.1148 9.1148 10.2716 10.2716 10.3102 10.3102 10.9158 10.9158 11.1471 11.1471 k = 0.5000 0.3484-0.0000 ( 4608 PWs) bands (ev): -2.3433 -2.3433 -2.3407 -2.3407 -1.3817 -1.3817 -1.3782 -1.3782 4.3078 4.3078 4.3306 4.3306 4.4337 4.4337 4.5412 4.5412 5.2551 5.2551 5.4967 5.4967 5.8705 5.8705 6.2212 6.2212 6.9138 6.9138 6.9980 6.9980 8.6350 8.6350 8.6624 8.6624 8.9709 8.9709 8.9883 8.9883 9.1094 9.1094 9.1152 9.1152 10.2723 10.2723 10.3118 10.3118 10.9321 10.9321 11.1727 11.1727 k = 0.5000 0.3604-0.0000 ( 4600 PWs) bands (ev): -2.3413 -2.3413 -2.3386 -2.3386 -1.3843 -1.3843 -1.3807 -1.3807 4.3112 4.3112 4.3384 4.3384 4.4258 4.4258 4.5371 4.5371 5.2556 5.2556 5.5050 5.5050 5.8586 5.8586 6.2165 6.2165 6.9152 6.9152 6.9995 6.9995 8.6368 8.6368 8.6642 8.6642 8.9715 8.9715 8.9889 8.9889 9.1096 9.1096 9.1153 9.1153 10.2726 10.2726 10.3124 10.3124 10.9377 10.9377 11.1816 11.1816 k = 0.5000 0.3604-0.0000 ( 4600 PWs) bands (ev): -2.3413 -2.3413 -2.3386 -2.3386 -1.3843 -1.3843 -1.3807 -1.3807 4.3112 4.3112 4.3384 4.3384 4.4258 4.4258 4.5371 4.5371 5.2556 5.2556 5.5050 5.5050 5.8586 5.8586 6.2165 6.2165 6.9152 6.9152 6.9995 6.9995 8.6368 8.6368 8.6642 8.6642 8.9715 8.9715 8.9889 8.9889 9.1096 9.1096 9.1153 9.1153 10.2726 10.2726 10.3124 10.3124 10.9377 10.9377 11.1816 11.1816 k = 0.4878 0.3604-0.0000 ( 4604 PWs) bands (ev): -2.3436 -2.3436 -2.3409 -2.3409 -1.3837 -1.3837 -1.3801 -1.3801 4.2832 4.2832 4.3696 4.3696 4.4190 4.4190 4.5471 4.5471 5.2481 5.2481 5.4996 5.4996 5.8683 5.8683 6.2233 6.2233 6.9177 6.9177 7.0010 7.0010 8.6366 8.6366 8.6639 8.6639 8.9714 8.9714 8.9886 8.9886 9.1097 9.1097 9.1153 9.1153 10.2720 10.2720 10.3117 10.3117 10.9382 10.9382 11.1819 11.1819 k = 0.4756 0.3604-0.0000 ( 4604 PWs) bands (ev): -2.3503 -2.3503 -2.3477 -2.3477 -1.3818 -1.3818 -1.3782 -1.3782 4.2480 4.2480 4.4035 4.4035 4.4146 4.4146 4.5722 4.5722 5.2272 5.2272 5.4842 5.4842 5.8960 5.8960 6.2428 6.2428 6.9251 6.9251 7.0058 7.0058 8.6359 8.6359 8.6632 8.6632 8.9711 8.9711 8.9879 8.9879 9.1100 9.1100 9.1155 9.1155 10.2701 10.2701 10.3096 10.3096 10.9396 10.9396 11.1828 11.1828 k = 0.4634 0.3604-0.0000 ( 4604 PWs) bands (ev): -2.3615 -2.3615 -2.3589 -2.3589 -1.3788 -1.3788 -1.3752 -1.3752 4.2149 4.2149 4.3851 4.3851 4.4637 4.4637 4.6059 4.6059 5.1972 5.1972 5.4612 5.4612 5.9376 5.9376 6.2727 6.2727 6.9377 6.9377 7.0137 7.0137 8.6348 8.6348 8.6620 8.6620 8.9705 8.9705 8.9867 8.9867 9.1105 9.1105 9.1159 9.1159 10.2671 10.2671 10.3062 10.3062 10.9420 10.9420 11.1842 11.1842 k = 0.4512 0.3604-0.0000 ( 4608 PWs) bands (ev): -2.3767 -2.3767 -2.3741 -2.3741 -1.3749 -1.3749 -1.3713 -1.3713 4.1841 4.1841 4.3664 4.3664 4.5164 4.5164 4.6448 4.6448 5.1631 5.1631 5.4333 5.4333 5.9891 5.9891 6.3100 6.3100 6.9557 6.9557 7.0249 7.0249 8.6333 8.6333 8.6603 8.6603 8.9696 8.9696 8.9850 8.9850 9.1115 9.1115 9.1167 9.1167 10.2629 10.2629 10.3014 10.3014 10.9452 10.9452 11.1863 11.1863 k = 0.4390 0.3604-0.0000 ( 4588 PWs) bands (ev): -2.3957 -2.3957 -2.3932 -2.3932 -1.3703 -1.3703 -1.3666 -1.3666 4.1552 4.1552 4.3477 4.3477 4.5727 4.5727 4.6869 4.6869 5.1295 5.1295 5.4033 5.4033 6.0468 6.0468 6.3517 6.3517 6.9794 6.9794 7.0394 7.0394 8.6314 8.6314 8.6582 8.6582 8.9685 8.9685 8.9830 8.9830 9.1130 9.1130 9.1180 9.1180 10.2577 10.2577 10.2955 10.2955 10.9492 10.9492 11.1889 11.1889 k = 0.4268 0.3604-0.0000 ( 4594 PWs) bands (ev): -2.4181 -2.4181 -2.4157 -2.4157 -1.3653 -1.3653 -1.3616 -1.3616 4.1279 4.1279 4.3286 4.3286 4.6323 4.6323 4.7307 4.7307 5.1006 5.1006 5.3737 5.3737 6.1082 6.1082 6.3955 6.3955 7.0089 7.0089 7.0573 7.0573 8.6290 8.6290 8.6555 8.6555 8.9670 8.9670 8.9805 8.9805 9.1152 9.1152 9.1200 9.1200 10.2515 10.2515 10.2884 10.2884 10.9539 10.9539 11.1921 11.1921 k = 0.4146 0.3604-0.0000 ( 4594 PWs) bands (ev): -2.4435 -2.4435 -2.4412 -2.4412 -1.3602 -1.3602 -1.3565 -1.3565 4.1015 4.1015 4.3082 4.3082 4.6952 4.6952 4.7741 4.7741 5.0808 5.0808 5.3465 5.3465 6.1714 6.1714 6.4392 6.4392 7.0443 7.0443 7.0787 7.0787 8.6263 8.6263 8.6523 8.6523 8.9653 8.9653 8.9776 8.9776 9.1183 9.1183 9.1229 9.1229 10.2444 10.2444 10.2803 10.2803 10.9592 10.9592 11.1959 11.1959 k = 0.4024 0.3604-0.0000 ( 4598 PWs) bands (ev): -2.4715 -2.4715 -2.4693 -2.4693 -1.3552 -1.3552 -1.3515 -1.3515 4.0756 4.0756 4.2853 4.2853 4.7612 4.7612 4.8146 4.8146 5.0746 5.0746 5.3234 5.3234 6.2348 6.2348 6.4816 6.4816 7.0856 7.0856 7.1037 7.1037 8.6232 8.6232 8.6487 8.6487 8.9634 8.9634 8.9746 8.9746 9.1225 9.1225 9.1268 9.1268 10.2365 10.2365 10.2712 10.2712 10.9651 10.9651 11.2003 11.2003 k = 0.3902 0.3604-0.0000 ( 4594 PWs) bands (ev): -2.5017 -2.5017 -2.4996 -2.4996 -1.3506 -1.3506 -1.3469 -1.3469 4.0495 4.0495 4.2589 4.2589 4.8302 4.8302 4.8499 4.8499 5.0861 5.0861 5.3058 5.3058 6.2973 6.2973 6.5218 6.5218 7.1322 7.1322 7.1323 7.1323 8.6199 8.6199 8.6447 8.6447 8.9613 8.9613 8.9716 8.9716 9.1279 9.1279 9.1321 9.1321 10.2279 10.2279 10.2614 10.2614 10.9714 10.9714 11.2053 11.2053 k = 0.3780 0.3604-0.0000 ( 4594 PWs) bands (ev): -2.5338 -2.5338 -2.5318 -2.5318 -1.3465 -1.3465 -1.3429 -1.3429 4.0227 4.0227 4.2283 4.2283 4.8800 4.8800 4.9020 4.9020 5.1159 5.1159 5.2945 5.2945 6.3581 6.3581 6.5594 6.5594 7.1643 7.1643 7.1833 7.1833 8.6165 8.6165 8.6404 8.6404 8.9592 8.9592 8.9687 8.9687 9.1346 9.1346 9.1389 9.1389 10.2186 10.2186 10.2508 10.2508 10.9783 10.9783 11.2110 11.2110 k = 0.3659 0.3604-0.0000 ( 4602 PWs) bands (ev): -2.5674 -2.5674 -2.5655 -2.5655 -1.3433 -1.3433 -1.3396 -1.3396 3.9947 3.9947 4.1934 4.1934 4.9081 4.9081 4.9764 4.9764 5.1612 5.1612 5.2905 5.2905 6.4165 6.4165 6.5943 6.5943 7.1998 7.1998 7.2379 7.2379 8.6132 8.6132 8.6359 8.6359 8.9571 8.9571 8.9661 8.9661 9.1427 9.1427 9.1472 9.1472 10.2089 10.2089 10.2397 10.2397 10.9856 10.9856 11.2175 11.2175 k = 0.3537 0.3604-0.0000 ( 4600 PWs) bands (ev): -2.6021 -2.6021 -2.6003 -2.6003 -1.3409 -1.3409 -1.3372 -1.3372 3.9654 3.9654 4.1543 4.1543 4.9384 4.9384 5.0533 5.0533 5.2173 5.2173 5.2942 5.2942 6.4721 6.4721 6.6268 6.6268 7.2383 7.2383 7.2947 7.2947 8.6103 8.6103 8.6314 8.6314 8.9553 8.9553 8.9640 8.9640 9.1524 9.1524 9.1574 9.1574 10.1988 10.1988 10.2281 10.2281 10.9933 10.9933 11.2248 11.2248 k = 0.3415 0.3604-0.0000 ( 4596 PWs) bands (ev): -2.6377 -2.6377 -2.6360 -2.6360 -1.3394 -1.3394 -1.3358 -1.3358 3.9344 3.9344 4.1117 4.1117 4.9737 4.9737 5.1324 5.1324 5.2808 5.2808 5.3059 5.3059 6.5245 6.5245 6.6572 6.6572 7.2795 7.2795 7.3523 7.3523 8.6080 8.6080 8.6271 8.6271 8.9536 8.9536 8.9624 8.9624 9.1635 9.1635 9.1695 9.1695 10.1885 10.1885 10.2164 10.2164 11.0017 11.0017 11.2332 11.2332 k = 0.3293 0.3604-0.0000 ( 4592 PWs) bands (ev): -2.6738 -2.6738 -2.6722 -2.6722 -1.3390 -1.3390 -1.3354 -1.3354 3.9018 3.9018 4.0663 4.0663 5.0151 5.0151 5.2134 5.2134 5.3256 5.3256 5.3493 5.3493 6.5737 6.5737 6.6859 6.6859 7.3227 7.3227 7.4094 7.4094 8.6067 8.6067 8.6232 8.6232 8.9524 8.9524 8.9616 8.9616 9.1762 9.1762 9.1837 9.1837 10.1781 10.1781 10.2047 10.2047 11.0105 11.0105 11.2427 11.2427 k = 0.3171 0.3604-0.0000 ( 4592 PWs) bands (ev): -2.7103 -2.7103 -2.7087 -2.7087 -1.3396 -1.3396 -1.3361 -1.3361 3.8676 3.8676 4.0191 4.0191 5.0630 5.0630 5.2954 5.2954 5.3539 5.3539 5.4214 5.4214 6.6195 6.6195 6.7131 6.7131 7.3672 7.3672 7.4645 7.4645 8.6067 8.6067 8.6200 8.6200 8.9516 8.9516 8.9615 8.9615 9.1906 9.1906 9.2003 9.2003 10.1678 10.1678 10.1930 10.1930 11.0201 11.0201 11.2535 11.2535 k = 0.3049 0.3604-0.0000 ( 4586 PWs) bands (ev): -2.7468 -2.7468 -2.7453 -2.7453 -1.3412 -1.3412 -1.3377 -1.3377 3.8321 3.8321 3.9707 3.9707 5.1170 5.1170 5.3710 5.3710 5.3976 5.3976 5.4962 5.4962 6.6622 6.6622 6.7392 6.7392 7.4121 7.4121 7.5166 7.5166 8.6084 8.6084 8.6179 8.6179 8.9512 8.9512 8.9622 8.9622 9.2066 9.2066 9.2195 9.2195 10.1580 10.1580 10.1819 10.1819 11.0304 11.0304 11.2657 11.2657 k = 0.2927 0.3604-0.0000 ( 4592 PWs) bands (ev): -2.7831 -2.7831 -2.7818 -2.7818 -1.3438 -1.3438 -1.3404 -1.3404 3.7956 3.7956 3.9217 3.9217 5.1765 5.1765 5.4212 5.4212 5.4750 5.4750 5.5731 5.5731 6.7019 6.7019 6.7643 6.7643 7.4566 7.4566 7.5643 7.5643 8.6120 8.6120 8.6170 8.6170 8.9513 8.9513 8.9636 8.9636 9.2242 9.2242 9.2413 9.2413 10.1489 10.1489 10.1714 10.1714 11.0415 11.0415 11.2794 11.2794 k = 0.2805 0.3604-0.0000 ( 4584 PWs) bands (ev): -2.8192 -2.8192 -2.8179 -2.8179 -1.3473 -1.3473 -1.3440 -1.3440 3.7584 3.7584 3.8727 3.8727 5.2411 5.2411 5.4688 5.4688 5.5623 5.5623 5.6517 5.6517 6.7389 6.7389 6.7887 6.7887 7.4998 7.4998 7.6069 7.6069 8.6177 8.6177 8.6177 8.6177 8.9519 8.9519 8.9657 8.9657 9.2434 9.2434 9.2659 9.2659 10.1410 10.1410 10.1620 10.1620 11.0535 11.0535 11.2948 11.2948 k = 0.2683 0.3604-0.0000 ( 4588 PWs) bands (ev): -2.8547 -2.8547 -2.8534 -2.8534 -1.3516 -1.3516 -1.3484 -1.3484 3.7207 3.7207 3.8242 3.8242 5.3099 5.3099 5.5203 5.5203 5.6522 5.6522 5.7315 5.7315 6.7732 6.7732 6.8123 6.8123 7.5409 7.5409 7.6438 7.6438 8.6203 8.6203 8.6256 8.6256 8.9528 8.9528 8.9682 8.9682 9.2641 9.2641 9.2932 9.2932 10.1347 10.1347 10.1540 10.1540 11.0664 11.0664 11.3119 11.3119 k = 0.2561 0.3604-0.0000 ( 4588 PWs) bands (ev): -2.8895 -2.8895 -2.8883 -2.8883 -1.3568 -1.3568 -1.3537 -1.3537 3.6830 3.6830 3.7765 3.7765 5.3822 5.3822 5.5757 5.5757 5.7436 5.7436 5.8123 5.8123 6.8052 6.8052 6.8353 6.8353 7.5792 7.5792 7.6746 7.6746 8.6248 8.6248 8.6355 8.6355 8.9540 8.9540 8.9711 8.9711 9.2863 9.2863 9.3230 9.3230 10.1308 10.1308 10.1479 10.1479 11.0803 11.0803 11.3308 11.3308 k = 0.2439 0.3604-0.0000 ( 4576 PWs) bands (ev): -2.9235 -2.9235 -2.9224 -2.9224 -1.3626 -1.3626 -1.3596 -1.3596 3.6456 3.6456 3.7300 3.7300 5.4574 5.4574 5.6343 5.6343 5.8364 5.8364 5.8939 5.8939 6.8350 6.8350 6.8578 6.8578 7.6142 7.6142 7.6994 7.6994 8.6313 8.6313 8.6471 8.6471 8.9554 8.9554 8.9741 8.9741 9.3097 9.3097 9.3547 9.3547 10.1301 10.1301 10.1443 10.1443 11.0952 11.0952 11.3515 11.3515 k = 0.2317 0.3604-0.0000 ( 4584 PWs) bands (ev): -2.9565 -2.9565 -2.9555 -2.9555 -1.3690 -1.3690 -1.3660 -1.3660 3.6086 3.6086 3.6847 3.6847 5.5346 5.5346 5.6955 5.6955 5.9300 5.9300 5.9761 5.9761 6.8626 6.8626 6.8797 6.8797 7.6456 7.6456 7.7185 7.7185 8.6398 8.6398 8.6600 8.6600 8.9567 8.9567 8.9770 8.9770 9.3339 9.3339 9.3874 9.3874 10.1336 10.1336 10.1437 10.1437 11.1108 11.1108 11.3739 11.3739 k = 0.2195 0.3604-0.0000 ( 4576 PWs) bands (ev): -2.9884 -2.9884 -2.9875 -2.9875 -1.3758 -1.3758 -1.3730 -1.3730 3.5725 3.5725 3.6411 3.6411 5.6130 5.6130 5.7584 5.7584 6.0241 6.0241 6.0587 6.0587 6.8883 6.8883 6.9011 6.9011 7.6733 7.6733 7.7325 7.7325 8.6500 8.6500 8.6739 8.6739 8.9578 8.9578 8.9797 8.9797 9.3588 9.3588 9.4200 9.4200 10.1426 10.1426 10.1469 10.1469 11.1272 11.1272 11.3980 11.3980 k = 0.2073 0.3604-0.0000 ( 4572 PWs) bands (ev): -3.0192 -3.0192 -3.0184 -3.0184 -1.3830 -1.3830 -1.3803 -1.3803 3.5373 3.5373 3.5991 3.5991 5.6919 5.6919 5.8224 5.8224 6.1183 6.1183 6.1413 6.1413 6.9121 6.9121 6.9220 6.9220 7.6976 7.6976 7.7423 7.7423 8.6617 8.6617 8.6881 8.6881 8.9585 8.9585 8.9817 8.9817 9.3835 9.3835 9.4510 9.4510 10.1546 10.1546 10.1582 10.1582 11.1442 11.1442 11.4234 11.4234 k = 0.1951 0.3604-0.0000 ( 4572 PWs) bands (ev): -3.0487 -3.0487 -3.0479 -3.0479 -1.3904 -1.3904 -1.3878 -1.3878 3.5034 3.5034 3.5590 3.5590 5.7706 5.7706 5.8869 5.8869 6.2117 6.2117 6.2237 6.2237 6.9340 6.9340 6.9426 6.9426 7.7189 7.7189 7.7488 7.7488 8.6745 8.6745 8.7024 8.7024 8.9584 8.9584 8.9830 8.9830 9.4077 9.4077 9.4791 9.4791 10.1675 10.1675 10.1817 10.1817 11.1614 11.1614 11.4501 11.4501 k = 0.1829 0.3604-0.0000 ( 4576 PWs) bands (ev): -3.0767 -3.0767 -3.0760 -3.0760 -1.3979 -1.3979 -1.3955 -1.3955 3.4709 3.4709 3.5209 3.5209 5.8483 5.8483 5.9512 5.9512 6.3035 6.3035 6.3053 6.3053 6.9542 6.9542 6.9629 6.9629 7.7378 7.7378 7.7530 7.7530 8.6879 8.6879 8.7163 8.7163 8.9574 8.9574 8.9833 8.9833 9.4307 9.4307 9.5029 9.5029 10.1861 10.1861 10.2137 10.2137 11.1786 11.1786 11.4776 11.4776 k = 0.1707 0.3604-0.0000 ( 4576 PWs) bands (ev): -3.1033 -3.1033 -3.1027 -3.1027 -1.4055 -1.4055 -1.4032 -1.4032 3.4400 3.4400 3.4848 3.4848 5.9245 5.9245 6.0149 6.0149 6.3855 6.3855 6.3925 6.3925 6.9727 6.9727 6.9833 6.9833 7.7551 7.7551 7.7562 7.7562 8.7017 8.7017 8.7298 8.7298 8.9552 8.9552 8.9824 8.9824 9.4518 9.4518 9.5218 9.5218 10.2110 10.2110 10.2545 10.2545 11.1954 11.1954 11.5055 11.5055 k = 0.1585 0.3604-0.0000 ( 4570 PWs) bands (ev): -3.1284 -3.1284 -3.1278 -3.1278 -1.4130 -1.4130 -1.4109 -1.4109 3.4108 3.4108 3.4509 3.4509 5.9985 5.9985 6.0775 6.0775 6.4634 6.4634 6.4773 6.4773 6.9898 6.9898 7.0039 7.0039 7.7595 7.7595 7.7718 7.7718 8.7154 8.7154 8.7425 8.7425 8.9516 8.9516 8.9801 8.9801 9.4705 9.4705 9.5356 9.5356 10.2423 10.2423 10.3035 10.3035 11.2115 11.2115 11.5333 11.5333 k = 0.1463 0.3604-0.0000 ( 4558 PWs) bands (ev): -3.1519 -3.1519 -3.1513 -3.1513 -1.4204 -1.4204 -1.4184 -1.4184 3.3834 3.3834 3.4192 3.4192 6.0700 6.0700 6.1387 6.1387 6.5378 6.5378 6.5559 6.5559 7.0056 7.0056 7.0252 7.0252 7.7644 7.7644 7.7889 7.7889 8.7288 8.7288 8.7545 8.7545 8.9464 8.9464 8.9763 8.9763 9.4866 9.4866 9.5446 9.5446 10.2798 10.2798 10.3598 10.3598 11.2265 11.2265 11.5603 11.5603 k = 0.1341 0.3604-0.0000 ( 4566 PWs) bands (ev): -3.1736 -3.1736 -3.1732 -3.1732 -1.4274 -1.4274 -1.4256 -1.4256 3.3580 3.3580 3.3898 3.3898 6.1386 6.1386 6.1981 6.1981 6.6074 6.6074 6.6266 6.6266 7.0203 7.0203 7.0473 7.0473 7.7720 7.7720 7.8073 7.8073 8.7415 8.7415 8.7654 8.7654 8.9394 8.9394 8.9706 8.9706 9.4999 9.4999 9.5495 9.5495 10.3229 10.3229 10.4215 10.4215 11.2401 11.2401 11.5856 11.5857 k = 0.1220 0.3604-0.0000 ( 4562 PWs) bands (ev): -3.1937 -3.1937 -3.1933 -3.1933 -1.4342 -1.4342 -1.4325 -1.4325 3.3346 3.3346 3.3627 3.3627 6.2039 6.2039 6.2554 6.2554 6.6705 6.6705 6.6874 6.6874 7.0346 7.0346 7.0705 7.0705 7.7839 7.7839 7.8281 7.8281 8.7536 8.7536 8.7754 8.7754 8.9307 8.9307 8.9630 8.9630 9.5105 9.5105 9.5513 9.5513 10.3707 10.3707 10.4869 10.4869 11.2522 11.2522 11.6084 11.6084 k = 0.1098 0.3604-0.0000 ( 4562 PWs) bands (ev): -3.2120 -3.2120 -3.2116 -3.2116 -1.4405 -1.4405 -1.4390 -1.4390 3.3133 3.3133 3.3379 3.3379 6.2659 6.2659 6.3103 6.3103 6.7254 6.7254 6.7370 6.7370 7.0487 7.0487 7.0941 7.0941 7.8013 7.8013 7.8519 7.8519 8.7647 8.7647 8.7844 8.7844 8.9203 8.9203 8.9535 8.9535 9.5186 9.5186 9.5508 9.5508 10.4222 10.4222 10.5537 10.5537 11.2628 11.2628 11.6272 11.6272 k = 0.0976 0.3604-0.0000 ( 4570 PWs) bands (ev): -3.2285 -3.2285 -3.2281 -3.2281 -1.4463 -1.4463 -1.4450 -1.4450 3.2942 3.2942 3.3156 3.3156 6.3241 6.3241 6.3625 6.3625 6.7708 6.7708 6.7752 6.7752 7.0632 7.0632 7.1169 7.1169 7.8249 7.8249 7.8790 7.8790 8.7749 8.7749 8.7922 8.7922 8.9082 8.9082 8.9420 8.9420 9.5247 9.5247 9.5488 9.5488 10.4760 10.4760 10.6198 10.6198 11.2725 11.2725 11.6405 11.6405 k = 0.0854 0.3604-0.0000 ( 4566 PWs) bands (ev): -3.2431 -3.2431 -3.2428 -3.2428 -1.4516 -1.4516 -1.4504 -1.4504 3.2774 3.2774 3.2957 3.2957 6.3785 6.3785 6.4116 6.4116 6.8028 6.8028 6.8055 6.8055 7.0785 7.0785 7.1375 7.1375 7.8548 7.8548 7.9094 7.9094 8.7840 8.7840 8.7988 8.7988 8.8949 8.8949 8.9287 8.9287 9.5289 9.5289 9.5460 9.5460 10.5308 10.5308 10.6827 10.6827 11.2819 11.2819 11.6466 11.6467 k = 0.0732 0.3604-0.0000 ( 4558 PWs) bands (ev): -3.2558 -3.2558 -3.2556 -3.2556 -1.4563 -1.4563 -1.4553 -1.4553 3.2628 3.2628 3.2783 3.2783 6.4287 6.4287 6.4571 6.4571 6.8211 6.8211 6.8298 6.8298 7.0944 7.0944 7.1544 7.1544 7.8900 7.8900 7.9421 7.9421 8.7919 8.7919 8.8041 8.8041 8.8809 8.8809 8.9139 8.9139 9.5317 9.5317 9.5429 9.5429 10.5852 10.5852 10.7395 10.7395 11.2926 11.2926 11.6439 11.6440 k = 0.0610 0.3604-0.0000 ( 4562 PWs) bands (ev): -3.2666 -3.2666 -3.2664 -3.2664 -1.4603 -1.4603 -1.4595 -1.4595 3.2506 3.2506 3.2633 3.2633 6.4742 6.4742 6.4984 6.4984 6.8321 6.8321 6.8443 6.8443 7.1103 7.1103 7.1667 7.1667 7.9286 7.9286 7.9756 7.9756 8.7982 8.7982 8.8078 8.8078 8.8671 8.8671 8.8983 8.8983 9.5334 9.5334 9.5400 9.5400 10.6378 10.6378 10.7873 10.7873 11.3064 11.3064 11.6314 11.6314 k = 0.0488 0.3604-0.0000 ( 4558 PWs) bands (ev): -3.2755 -3.2755 -3.2753 -3.2753 -1.4637 -1.4637 -1.4630 -1.4630 3.2408 3.2408 3.2508 3.2508 6.5146 6.5146 6.5348 6.5348 6.8375 6.8375 6.8510 6.8510 7.1255 7.1255 7.1744 7.1744 7.9677 7.9677 8.0076 8.0076 8.8026 8.8026 8.8099 8.8099 8.8548 8.8548 8.8827 8.8827 9.5341 9.5341 9.5375 9.5375 10.6875 10.6875 10.8234 10.8234 11.3254 11.3254 11.6092 11.6092 k = 0.0366 0.3604-0.0000 ( 4566 PWs) bands (ev): -3.2824 -3.2824 -3.2823 -3.2823 -1.4663 -1.4663 -1.4658 -1.4658 3.2334 3.2334 3.2408 3.2408 6.5490 6.5490 6.5651 6.5651 6.8392 6.8392 6.8518 6.8518 7.1393 7.1393 7.1779 7.1779 8.0041 8.0041 8.0355 8.0355 8.8045 8.8045 8.8101 8.8101 8.8459 8.8459 8.8685 8.8685 9.5343 9.5343 9.5356 9.5356 10.7330 10.7330 10.8458 10.8458 11.3508 11.3508 11.5788 11.5788 k = 0.0244 0.3604-0.0000 ( 4558 PWs) bands (ev): -3.2874 -3.2874 -3.2873 -3.2873 -1.4682 -1.4682 -1.4678 -1.4678 3.2284 3.2284 3.2334 3.2334 6.5763 6.5763 6.5877 6.5877 6.8392 6.8392 6.8489 6.8489 7.1514 7.1514 7.1779 7.1779 8.0349 8.0349 8.0566 8.0566 8.8040 8.8040 8.8083 8.8083 8.8416 8.8416 8.8571 8.8571 9.5341 9.5341 9.5344 9.5344 10.7732 10.7732 10.8540 10.8540 11.3828 11.3828 11.5423 11.5423 k = 0.0122 0.3604-0.0000 ( 4566 PWs) bands (ev): -3.2903 -3.2903 -3.2903 -3.2903 -1.4692 -1.4692 -1.4691 -1.4691 3.2259 3.2259 3.2284 3.2284 6.5949 6.5949 6.6009 6.6009 6.8393 6.8393 6.8447 6.8447 7.1614 7.1614 7.1748 7.1748 8.0570 8.0570 8.0680 8.0680 8.8028 8.8028 8.8054 8.8054 8.8414 8.8414 8.8491 8.8491 9.5337 9.5337 9.5337 9.5337 10.8069 10.8069 10.8490 10.8490 11.4201 11.4201 11.5021 11.5021 k = 0.0000 0.3604-0.0000 ( 4558 PWs) bands (ev): -3.2913 -3.2913 -3.2913 -3.2913 -1.4696 -1.4696 -1.4696 -1.4696 3.2259 3.2259 3.2259 3.2259 6.6034 6.6034 6.6034 6.6034 6.8411 6.8411 6.8411 6.8411 7.1693 7.1693 7.1693 7.1693 8.0683 8.0683 8.0683 8.0683 8.8032 8.8032 8.8032 8.8032 8.8441 8.8441 8.8441 8.8441 9.5335 9.5335 9.5335 9.5335 10.8327 10.8327 10.8327 10.8327 11.4606 11.4606 11.4606 11.4606 k = 0.0000 0.3604-0.0000 ( 4558 PWs) bands (ev): -3.2913 -3.2913 -3.2913 -3.2913 -1.4696 -1.4696 -1.4696 -1.4696 3.2259 3.2259 3.2259 3.2259 6.6034 6.6034 6.6034 6.6034 6.8411 6.8411 6.8411 6.8411 7.1693 7.1693 7.1693 7.1693 8.0683 8.0683 8.0683 8.0683 8.8032 8.8032 8.8032 8.8032 8.8441 8.8441 8.8441 8.8441 9.5335 9.5335 9.5335 9.5335 10.8327 10.8327 10.8327 10.8327 11.4606 11.4606 11.4606 11.4606 k = 0.0000 0.3484-0.0000 ( 4564 PWs) bands (ev): -3.3643 -3.3643 -3.2165 -3.2165 -1.4770 -1.4770 -1.4629 -1.4629 3.2199 3.2199 3.2373 3.2373 6.5764 6.5764 6.6240 6.6240 6.7297 6.7297 6.9273 6.9273 7.1160 7.1160 7.2494 7.2494 8.0277 8.0277 8.1082 8.1082 8.7999 8.7999 8.8029 8.8029 8.8332 8.8332 8.8559 8.8559 9.4778 9.4778 9.5902 9.5902 10.8205 10.8205 10.8415 10.8415 11.4270 11.4270 11.4949 11.4949 k = 0.0000 0.3364-0.0000 ( 4570 PWs) bands (ev): -3.4355 -3.4355 -3.1400 -3.1400 -1.4850 -1.4850 -1.4570 -1.4570 3.2190 3.2190 3.2540 3.2540 6.5161 6.5161 6.6292 6.6292 6.6460 6.6460 6.9783 6.9783 7.0835 7.0835 7.3558 7.3558 7.9862 7.9862 8.1471 8.1471 8.7930 8.7930 8.7976 8.7976 8.8264 8.8264 8.8676 8.8676 9.4234 9.4234 9.6472 9.6472 10.8053 10.8053 10.8468 10.8468 11.3948 11.3948 11.5293 11.5293 k = 0.0000 0.3244-0.0000 ( 4568 PWs) bands (ev): -3.5047 -3.5047 -3.0620 -3.0620 -1.4936 -1.4936 -1.4520 -1.4520 3.2232 3.2232 3.2761 3.2761 6.3898 6.3898 6.5885 6.5885 6.6633 6.6633 6.9935 6.9935 7.0733 7.0733 7.4769 7.4769 7.9441 7.9441 8.1849 8.1849 8.7790 8.7790 8.7907 8.7907 8.8237 8.8237 8.8789 8.8789 9.3708 9.3708 9.7038 9.7038 10.7875 10.7875 10.8487 10.8487 11.3648 11.3648 11.5637 11.5637 k = 0.0000 0.3123-0.0000 ( 4564 PWs) bands (ev): -3.5718 -3.5718 -2.9826 -2.9826 -1.5026 -1.5026 -1.4478 -1.4478 3.2323 3.2323 3.3037 3.3037 6.2365 6.2365 6.5675 6.5675 6.6823 6.6823 6.9812 6.9812 7.0822 7.0822 7.6020 7.6020 7.9014 7.9014 8.2216 8.2216 8.7596 8.7596 8.7831 8.7831 8.8228 8.8228 8.8895 8.8895 9.3201 9.3201 9.7589 9.7589 10.7679 10.7679 10.8476 10.8476 11.3381 11.3381 11.5976 11.5976 k = 0.0000 0.3003-0.0000 ( 4564 PWs) bands (ev): -3.6368 -3.6368 -2.9022 -2.9022 -1.5117 -1.5117 -1.4446 -1.4446 3.2462 3.2462 3.3367 3.3367 6.0750 6.0750 6.5519 6.5519 6.7012 6.7012 6.9595 6.9595 7.0949 7.0949 7.7245 7.7245 7.8584 7.8584 8.2567 8.2567 8.7363 8.7363 8.7745 8.7745 8.8220 8.8220 8.8997 8.8997 9.2716 9.2716 9.8114 9.8114 10.7471 10.7471 10.8443 10.8443 11.3159 11.3159 11.6309 11.6309 k = 0.0000 0.2883-0.0000 ( 4566 PWs) bands (ev): -3.6996 -3.6996 -2.8208 -2.8208 -1.5208 -1.5208 -1.4423 -1.4423 3.2646 3.2646 3.3751 3.3751 5.9100 5.9100 6.5387 6.5387 6.7199 6.7199 6.9360 6.9360 7.1056 7.1056 7.8125 7.8125 7.8435 7.8435 8.2897 8.2897 8.7099 8.7099 8.7649 8.7649 8.8208 8.8208 8.9095 8.9095 9.2255 9.2255 9.8594 9.8594 10.7255 10.7255 10.8405 10.8405 11.2999 11.2999 11.6633 11.6633 k = 0.0000 0.2763-0.0000 ( 4570 PWs) bands (ev): -3.7601 -3.7601 -2.7389 -2.7389 -1.5295 -1.5295 -1.4409 -1.4409 3.2873 3.2873 3.4190 3.4190 5.7433 5.7433 6.5272 6.5272 6.7376 6.7376 6.9128 6.9128 7.1131 7.1131 7.7703 7.7703 7.9501 7.9501 8.3193 8.3193 8.6810 8.6810 8.7542 8.7542 8.8193 8.8193 8.9187 8.9187 9.1819 9.1819 9.9013 9.9013 10.7031 10.7031 10.8389 10.8389 11.2914 11.2914 11.6946 11.6947 k = 0.0000 0.2643-0.0000 ( 4568 PWs) bands (ev): -3.8183 -3.8183 -2.6568 -2.6568 -1.5376 -1.5376 -1.4403 -1.4403 3.3141 3.3141 3.4681 3.4681 5.5762 5.5762 6.5170 6.5170 6.7531 6.7531 6.8917 6.8917 7.1171 7.1171 7.7264 7.7264 8.0480 8.0480 8.3433 8.3433 8.6517 8.6517 8.7425 8.7425 8.8173 8.8173 8.9273 8.9273 9.1412 9.1412 9.9351 9.9351 10.6791 10.6791 10.8431 10.8431 11.2918 11.2918 11.6954 11.6954 k = 0.0000 0.2523-0.0000 ( 4572 PWs) bands (ev): -3.8742 -3.8742 -2.5749 -2.5749 -1.5446 -1.5446 -1.4405 -1.4405 3.3447 3.3447 3.5226 3.5226 5.4096 5.4096 6.5080 6.5080 6.7638 6.7638 6.8753 6.8753 7.1178 7.1178 7.6826 7.6826 8.1347 8.1347 8.3571 8.3571 8.6256 8.6256 8.7301 8.7301 8.8149 8.8149 8.9348 8.9348 9.1039 9.1039 9.9590 9.9590 10.6524 10.6524 10.8570 10.8570 11.3019 11.3019 11.6676 11.6676 k = 0.0000 0.2403-0.0000 ( 4582 PWs) bands (ev): -3.9277 -3.9277 -2.4939 -2.4939 -1.5500 -1.5500 -1.4414 -1.4414 3.3787 3.3787 3.5821 3.5821 5.2441 5.2441 6.5001 6.5001 6.7653 6.7653 6.8679 6.8679 7.1150 7.1150 7.6388 7.6388 8.2085 8.2085 8.3551 8.3551 8.6084 8.6084 8.7174 8.7174 8.8122 8.8122 8.9403 8.9403 9.0708 9.0708 9.9723 9.9723 10.6225 10.6225 10.8830 10.8830 11.3223 11.3223 11.6438 11.6438 k = 0.0000 0.2282-0.0000 ( 4562 PWs) bands (ev): -3.9787 -3.9787 -2.4145 -2.4145 -1.5531 -1.5531 -1.4430 -1.4430 3.4158 3.4158 3.6468 3.6468 5.0804 5.0804 6.4932 6.4932 6.7553 6.7553 6.8719 6.8719 7.1088 7.1088 7.5954 7.5954 8.2622 8.2622 8.3403 8.3403 8.6033 8.6033 8.7056 8.7056 8.8095 8.8095 8.9417 8.9417 9.0443 9.0443 9.9750 9.9750 10.5898 10.5898 10.9213 10.9213 11.3531 11.3531 11.6245 11.6245 k = 0.0000 0.2162-0.0000 ( 4562 PWs) bands (ev): -4.0273 -4.0273 -2.3378 -2.3378 -1.5531 -1.5531 -1.4452 -1.4452 3.4556 3.4556 3.7163 3.7163 4.9192 4.9192 6.4873 6.4873 6.7367 6.7367 6.8839 6.8839 7.0993 7.0993 7.5522 7.5522 8.2537 8.2537 8.3566 8.3566 8.6059 8.6059 8.6971 8.6971 8.8068 8.8068 8.9357 8.9357 9.0276 9.0276 9.9681 9.9681 10.5552 10.5552 10.9700 10.9700 11.3938 11.3938 11.6107 11.6107 k = 0.0000 0.2042-0.0000 ( 4558 PWs) bands (ev): -4.0734 -4.0734 -2.2649 -2.2649 -1.5488 -1.5488 -1.4480 -1.4480 3.4975 3.4975 3.7906 3.7906 4.7612 4.7612 6.4821 6.4821 6.7136 6.7136 6.8998 6.8998 7.0867 7.0867 7.5096 7.5096 8.1949 8.1949 8.3991 8.3991 8.6068 8.6068 8.6956 8.6956 8.8042 8.8042 8.9207 8.9207 9.0221 9.0221 9.9533 9.9533 10.5196 10.5196 11.0254 11.0254 11.4438 11.4438 11.6040 11.6040 k = 0.0000 0.1922-0.0000 ( 4550 PWs) bands (ev): -4.1169 -4.1169 -2.1973 -2.1973 -1.5391 -1.5391 -1.4511 -1.4511 3.5408 3.5408 3.8695 3.8695 4.6072 4.6072 6.4775 6.4775 6.6879 6.6879 6.9173 6.9173 7.0713 7.0713 7.4674 7.4674 8.1188 8.1188 8.4409 8.4409 8.5998 8.5998 8.7027 8.7027 8.8020 8.8020 8.9001 8.9001 9.0249 9.0249 9.9320 9.9320 10.4842 10.4842 11.0825 11.0825 11.5013 11.5013 11.6077 11.6077 k = 0.0000 0.1802-0.0000 ( 4550 PWs) bands (ev): -4.1580 -4.1580 -2.1367 -2.1367 -1.5225 -1.5225 -1.4546 -1.4546 3.5846 3.5846 3.9529 3.9529 4.4584 4.4584 6.4733 6.4733 6.6607 6.6607 6.9348 6.9348 7.0538 7.0538 7.4257 7.4257 8.0326 8.0326 8.4791 8.4791 8.5859 8.5859 8.7149 8.7149 8.8002 8.8002 8.8776 8.8776 9.0319 9.0319 9.9059 9.9059 10.4497 10.4497 11.1355 11.1355 11.5627 11.5627 11.6278 11.6278 k = 0.0000 0.1682-0.0000 ( 4552 PWs) bands (ev): -4.1965 -4.1965 -2.0847 -2.0847 -1.4977 -1.4977 -1.4583 -1.4583 3.6272 3.6272 4.0403 4.0403 4.3165 4.3165 6.4688 6.4688 6.6325 6.6325 6.9508 6.9508 7.0353 7.0353 7.3844 7.3844 7.9398 7.9398 8.5138 8.5138 8.5683 8.5683 8.7277 8.7277 8.7992 8.7992 8.8553 8.8553 9.0414 9.0414 9.8762 9.8762 10.4167 10.4167 11.1785 11.1785 11.6199 11.6199 11.6748 11.6748 k = 0.0000 0.1562-0.0000 ( 4562 PWs) bands (ev): -4.2324 -4.2324 -2.0423 -2.0423 -1.4642 -1.4642 -1.4620 -1.4620 3.6657 3.6657 4.1302 4.1302 4.1864 4.1864 6.4631 6.4631 6.6038 6.6038 6.9618 6.9618 7.0194 7.0194 7.3435 7.3435 7.8429 7.8429 8.5421 8.5421 8.5525 8.5525 8.7389 8.7389 8.7991 8.7991 8.8343 8.8343 9.0524 9.0524 9.8441 9.8441 10.3857 10.3857 11.2081 11.2081 11.6749 11.6749 11.7463 11.7463 k = 0.0000 0.1442-0.0000 ( 4570 PWs) bands (ev): -4.2657 -4.2657 -2.0095 -2.0095 -1.4662 -1.4662 -1.4219 -1.4219 3.6927 3.6927 4.0685 4.0685 4.2290 4.2290 6.4547 6.4547 6.5758 6.5758 6.9595 6.9595 7.0149 7.0149 7.3026 7.3026 7.7444 7.7444 8.5270 8.5270 8.5768 8.5768 8.7472 8.7472 8.7988 8.7988 8.8165 8.8165 9.0642 9.0642 9.8102 9.8102 10.3570 10.3570 11.2247 11.2247 11.7377 11.7377 11.8282 11.8282 k = 0.0000 0.1321-0.0000 ( 4560 PWs) bands (ev): -4.2963 -4.2963 -1.9855 -1.9855 -1.4702 -1.4702 -1.3727 -1.3727 3.6916 3.6916 3.9885 3.9885 4.3277 4.3277 6.4405 6.4405 6.5506 6.5506 6.9428 6.9428 7.0230 7.0230 7.2617 7.2617 7.6469 7.6469 8.5067 8.5067 8.6039 8.6039 8.7525 8.7525 8.7913 8.7913 8.8094 8.8094 9.0768 9.0768 9.7754 9.7754 10.3308 10.3308 11.2309 11.2309 11.8084 11.8084 11.9114 11.9114 k = 0.0000 0.1201-0.0000 ( 4564 PWs) bands (ev): -4.3244 -4.3244 -1.9688 -1.9688 -1.4741 -1.4741 -1.3185 -1.3185 3.6437 3.6437 3.9612 3.9612 4.4302 4.4302 6.4165 6.4165 6.5309 6.5309 6.9206 6.9206 7.0351 7.0351 7.2202 7.2202 7.5533 7.5533 8.4867 8.4867 8.6290 8.6290 8.7543 8.7543 8.7786 8.7786 8.8113 8.8113 9.0898 9.0898 9.7404 9.7404 10.3072 10.3072 11.2302 11.2302 11.8829 11.8829 11.9722 11.9722 k = 0.0000 0.1081-0.0000 ( 4564 PWs) bands (ev): -4.3498 -4.3498 -1.9576 -1.9576 -1.4778 -1.4778 -1.2616 -1.2616 3.5614 3.5614 3.9745 3.9745 4.5357 4.5357 6.3804 6.3804 6.5178 6.5178 6.8974 6.8974 7.0469 7.0469 7.1779 7.1779 7.4667 7.4667 8.4676 8.4676 8.6515 8.6515 8.7503 8.7503 8.7711 8.7711 8.8148 8.8148 9.1030 9.1030 9.7057 9.7057 10.2862 10.2862 11.2251 11.2251 11.9526 11.9526 12.0032 12.0032 k = 0.0000 0.0961-0.0000 ( 4558 PWs) bands (ev): -4.3726 -4.3726 -1.9506 -1.9506 -1.4814 -1.4814 -1.2042 -1.2042 3.4688 3.4688 4.0046 4.0046 4.6440 4.6440 6.3329 6.3329 6.5091 6.5091 6.8750 6.8750 7.0555 7.0555 7.1358 7.1358 7.3905 7.3905 8.4497 8.4497 8.6713 8.6713 8.7408 8.7408 8.7707 8.7707 8.8184 8.8184 9.1162 9.1162 9.6718 9.6718 10.2678 10.2678 11.2177 11.2177 11.9917 11.9917 12.0556 12.0556 k = 0.0000 0.0841-0.0000 ( 4562 PWs) bands (ev): -4.3927 -4.3927 -1.9464 -1.9464 -1.4847 -1.4847 -1.1485 -1.1485 3.3779 3.3779 4.0397 4.0397 4.7545 4.7545 6.2748 6.2748 6.5026 6.5026 6.8547 6.8547 7.0526 7.0526 7.1018 7.1018 7.3270 7.3270 8.4334 8.4334 8.6875 8.6875 8.7303 8.7303 8.7739 8.7739 8.8216 8.8216 9.1290 9.1290 9.6394 9.6394 10.2519 10.2519 11.2092 11.2092 12.0076 12.0076 12.1256 12.1256 k = 0.0000 0.0721-0.0000 ( 4559 PWs) bands (ev): -4.4102 -4.4102 -1.9441 -1.9441 -1.4876 -1.4876 -1.0962 -1.0962 3.2939 3.2939 4.0749 4.0749 4.8668 4.8668 6.2069 6.2069 6.4966 6.4966 6.8374 6.8374 7.0225 7.0225 7.0927 7.0927 7.2771 7.2771 8.4188 8.4188 8.6996 8.6996 8.7210 8.7210 8.7794 8.7794 8.8243 8.8243 9.1414 9.1414 9.6091 9.6091 10.2383 10.2383 11.2005 11.2005 12.0182 12.0182 12.1942 12.1942 k = 0.0000 0.0601-0.0000 ( 4555 PWs) bands (ev): -4.4249 -4.4249 -1.9431 -1.9431 -1.4902 -1.4902 -1.0490 -1.0490 3.2193 3.2193 4.1076 4.1076 4.9801 4.9801 6.1298 6.1298 6.4904 6.4904 6.8241 6.8241 6.9815 6.9815 7.0939 7.0939 7.2400 7.2400 8.4063 8.4063 8.7057 8.7057 8.7154 8.7154 8.7866 8.7866 8.8265 8.8265 9.1529 9.1529 9.5814 9.5814 10.2271 10.2271 11.1922 11.1922 12.0263 12.0263 12.2569 12.2569 k = 0.0000 0.0481-0.0000 ( 4545 PWs) bands (ev): -4.4370 -4.4370 -1.9428 -1.9428 -1.4924 -1.4924 -1.0082 -1.0082 3.1561 3.1561 4.1363 4.1363 5.0933 5.0933 6.0447 6.0447 6.4839 6.4839 6.8153 6.8153 6.9424 6.9424 7.0946 7.0946 7.2143 7.2143 8.3958 8.3958 8.7026 8.7026 8.7174 8.7174 8.7944 8.7944 8.8284 8.8284 9.1633 9.1633 9.5572 9.5572 10.2182 10.2182 11.1849 11.1849 12.0327 12.0327 12.3113 12.3113 k = 0.0000 0.0360-0.0000 ( 4547 PWs) bands (ev): -4.4465 -4.4465 -1.9429 -1.9429 -1.4941 -1.4941 -0.9751 -0.9751 3.1056 3.1056 4.1597 4.1597 5.2045 5.2045 5.9540 5.9540 6.4776 6.4776 6.8114 6.8114 6.9086 6.9086 7.0932 7.0932 7.1980 7.1980 8.3876 8.3876 8.6978 8.6978 8.7203 8.7203 8.8018 8.8018 8.8298 8.8298 9.1720 9.1720 9.5371 9.5371 10.2113 10.2113 11.1789 11.1789 12.0375 12.0375 12.3555 12.3555 k = 0.0000 0.0240-0.0000 ( 4543 PWs) bands (ev): -4.4532 -4.4532 -1.9431 -1.9431 -1.4953 -1.4953 -0.9507 -0.9507 3.0687 3.0687 4.1771 4.1771 5.3098 5.3098 5.8626 5.8626 6.4723 6.4723 6.8121 6.8121 6.8812 6.8812 7.0905 7.0905 7.1888 7.1888 8.3817 8.3817 8.6941 8.6941 8.7222 8.7222 8.8078 8.8078 8.8310 8.8310 9.1788 9.1788 9.5220 9.5220 10.2064 10.2064 11.1744 11.1744 12.0409 12.0409 12.3879 12.3879 k = 0.0000 0.0120-0.0000 ( 4555 PWs) bands (ev): -4.4572 -4.4572 -1.9433 -1.9433 -1.4961 -1.4961 -0.9358 -0.9358 3.0463 3.0463 4.1878 4.1878 5.3982 5.3982 5.7823 5.7823 6.4687 6.4687 6.8162 6.8162 6.8612 6.8612 7.0880 7.0880 7.1844 7.1844 8.3781 8.3781 8.6918 8.6918 8.7231 8.7231 8.8115 8.8115 8.8316 8.8316 9.1830 9.1830 9.5125 9.5125 10.2034 10.2034 11.1717 11.1717 12.0429 12.0429 12.4076 12.4076 k = 0.0000 0.0000 0.0000 ( 4555 PWs) bands (ev): -4.4586 -4.4586 -1.9434 -1.9434 -1.4963 -1.4963 -0.9307 -0.9307 3.0387 3.0387 4.1914 4.1914 5.4382 5.4382 5.7449 5.7449 6.4674 6.4674 6.8194 6.8194 6.8528 6.8528 7.0870 7.0870 7.1831 7.1831 8.3768 8.3768 8.6910 8.6910 8.7234 8.7234 8.8128 8.8128 8.8319 8.8319 9.1845 9.1845 9.5093 9.5093 10.2025 10.2025 11.1707 11.1707 12.0436 12.0436 12.4143 12.4143 k = 0.0000 0.0000 0.0000 ( 4555 PWs) bands (ev): -4.4586 -4.4586 -1.9434 -1.9434 -1.4963 -1.4963 -0.9307 -0.9307 3.0387 3.0387 4.1914 4.1914 5.4382 5.4382 5.7449 5.7449 6.4674 6.4674 6.8194 6.8194 6.8528 6.8528 7.0870 7.0870 7.1831 7.1831 8.3768 8.3768 8.6910 8.6910 8.7234 8.7234 8.8128 8.8128 8.8319 8.8319 9.1845 9.1845 9.5093 9.5093 10.2025 10.2025 11.1707 11.1707 12.0436 12.0436 12.4143 12.4143 k = 0.0000 0.0000 0.0118 ( 4557 PWs) bands (ev): -4.4573 -4.4573 -1.9553 -1.9553 -1.4863 -1.4863 -0.9304 -0.9304 3.0402 3.0402 4.1931 4.1931 5.4405 5.4405 5.7388 5.7388 6.4635 6.4635 6.7931 6.7931 6.8772 6.8772 7.0908 7.0908 7.1912 7.1912 8.3779 8.3779 8.6880 8.6880 8.7227 8.7227 8.8133 8.8133 8.8313 8.8313 9.1835 9.1835 9.5105 9.5105 10.2024 10.2024 11.1658 11.1658 12.0434 12.0434 12.4131 12.4131 k = 0.0000 0.0000 0.0236 ( 4553 PWs) bands (ev): -4.4536 -4.4536 -1.9880 -1.9880 -1.4590 -1.4590 -0.9293 -0.9293 3.0446 3.0446 4.1982 4.1982 5.4469 5.4469 5.7210 5.7210 6.4520 6.4520 6.7591 6.7591 6.9058 6.9058 7.1002 7.1002 7.2172 7.2172 8.3808 8.3808 8.6790 8.6790 8.7207 8.7207 8.8149 8.8149 8.8298 8.8298 9.1806 9.1806 9.5138 9.5138 10.2021 10.2021 11.1510 11.1510 12.0427 12.0427 12.4090 12.4090 k = 0.0000 0.0000 0.0355 ( 4553 PWs) bands (ev): -4.4474 -4.4474 -2.0359 -2.0359 -1.4204 -1.4204 -0.9275 -0.9275 3.0518 3.0518 4.2068 4.2068 5.4571 5.4571 5.6925 5.6925 6.4339 6.4339 6.7312 6.7312 6.9253 6.9253 7.1113 7.1113 7.2624 7.2624 8.3858 8.3858 8.6640 8.6640 8.7170 8.7170 8.8178 8.8178 8.8274 8.8274 9.1758 9.1758 9.5189 9.5189 10.2015 10.2015 11.1268 11.1268 12.0413 12.0413 12.3989 12.3989 k = 0.0000 0.0000 0.0473 ( 4555 PWs) bands (ev): -4.4387 -4.4387 -2.0936 -2.0936 -1.3754 -1.3754 -0.9250 -0.9250 3.0619 3.0619 4.2189 4.2189 5.4691 5.4691 5.6556 5.6556 6.4108 6.4108 6.7111 6.7111 6.9367 6.9367 7.1223 7.1223 7.3235 7.3235 8.3926 8.3926 8.6435 8.6435 8.7113 8.7113 8.8213 8.8213 8.8253 8.8253 9.1693 9.1693 9.5254 9.5254 10.2008 10.2008 11.0936 11.0936 12.0388 12.0388 12.3725 12.3725 k = 0.0000 0.0000 0.0591 ( 4559 PWs) bands (ev): -4.4275 -4.4275 -2.1578 -2.1578 -1.3276 -1.3276 -0.9219 -0.9219 3.0746 3.0746 4.2348 4.2348 5.4776 5.4776 5.6168 5.6168 6.3849 6.3849 6.6980 6.6980 6.9424 6.9424 7.1335 7.1335 7.3948 7.3948 8.4013 8.4013 8.6177 8.6177 8.7032 8.7032 8.8198 8.8198 8.8294 8.8294 9.1613 9.1613 9.5326 9.5326 10.2000 10.2000 11.0522 11.0522 12.0345 12.0345 12.3188 12.3188 k = 0.0000 0.0000 0.0709 ( 4567 PWs) bands (ev): -4.4139 -4.4139 -2.2262 -2.2262 -1.2791 -1.2791 -0.9181 -0.9181 3.0899 3.0899 4.2545 4.2545 5.4670 5.4670 5.5931 5.5931 6.3579 6.3579 6.6903 6.6903 6.9446 6.9446 7.1454 7.1454 7.4713 7.4713 8.4116 8.4116 8.5875 8.5875 8.6922 8.6922 8.8163 8.8163 8.8372 8.8372 9.1518 9.1518 9.5399 9.5399 10.1990 10.1990 11.0037 11.0037 12.0268 12.0268 12.2504 12.2504 k = 0.0000 0.0000 0.0828 ( 4573 PWs) bands (ev): -4.3978 -4.3978 -2.2975 -2.2975 -1.2313 -1.2313 -0.9136 -0.9136 3.1076 3.1076 4.2781 4.2781 5.4236 5.4236 5.5996 5.5996 6.3308 6.3308 6.6867 6.6867 6.9445 6.9445 7.1586 7.1586 7.5495 7.5495 8.4235 8.4235 8.5533 8.5533 8.6778 8.6778 8.8127 8.8127 8.8469 8.8469 9.1411 9.1411 9.5468 9.5468 10.1981 10.1981 10.9494 10.9494 12.0124 12.0124 12.1834 12.1834 k = 0.0000 0.0000 0.0946 ( 4565 PWs) bands (ev): -4.3792 -4.3792 -2.3708 -2.3708 -1.1849 -1.1849 -0.9087 -0.9087 3.1276 3.1276 4.3057 4.3057 5.3601 5.3601 5.6253 5.6253 6.3041 6.3041 6.6860 6.6860 6.9428 6.9428 7.1732 7.1732 7.6264 7.6264 8.4368 8.4368 8.5161 8.5161 8.6600 8.6600 8.8095 8.8095 8.8585 8.8585 9.1293 9.1293 9.5528 9.5528 10.1974 10.1974 10.8908 10.8908 11.9854 11.9854 12.1296 12.1296 k = 0.0000 0.0000 0.1064 ( 4567 PWs) bands (ev): -4.3582 -4.3582 -2.4453 -2.4453 -1.1406 -1.1406 -0.9031 -0.9031 3.1499 3.1499 4.3370 4.3370 5.2879 5.2879 5.6602 5.6602 6.2778 6.2778 6.6874 6.6874 6.9399 6.9399 7.1894 7.1894 7.6996 7.6996 8.4497 8.4497 8.4779 8.4779 8.6387 8.6387 8.8067 8.8067 8.8716 8.8716 9.1165 9.1165 9.5573 9.5573 10.1968 10.1968 10.8297 10.8297 11.9416 11.9416 12.0956 12.0956 k = 0.0000 0.0000 0.1182 ( 4567 PWs) bands (ev): -4.3348 -4.3348 -2.5207 -2.5207 -1.0987 -1.0987 -0.8971 -0.8971 3.1742 3.1742 4.3716 4.3716 5.2120 5.2120 5.7006 5.7006 6.2517 6.2517 6.6904 6.6904 6.9361 6.9361 7.2073 7.2073 7.7663 7.7663 8.4314 8.4314 8.4703 8.4703 8.6148 8.6148 8.8043 8.8043 8.8864 8.8864 9.1029 9.1029 9.5601 9.5601 10.1965 10.1965 10.7679 10.7679 11.8876 11.8876 12.0763 12.0763 k = 0.0000 0.0000 0.1301 ( 4567 PWs) bands (ev): -4.3090 -4.3090 -2.5965 -2.5965 -1.0595 -1.0595 -0.8907 -0.8907 3.2006 3.2006 4.4087 4.4087 5.1355 5.1355 5.7452 5.7452 6.2256 6.2256 6.6946 6.6946 6.9314 6.9314 7.2268 7.2268 7.8232 7.8232 8.3899 8.3899 8.4857 8.4857 8.5895 8.5895 8.8023 8.8023 8.9028 8.9028 9.0886 9.0886 9.5608 9.5608 10.1966 10.1966 10.7073 10.7073 11.8319 11.8319 12.0639 12.0639 k = 0.0000 0.0000 0.1419 ( 4576 PWs) bands (ev): -4.2807 -4.2807 -2.6725 -2.6725 -1.0231 -1.0231 -0.8840 -0.8840 3.2289 3.2289 4.4466 4.4466 5.0613 5.0613 5.7928 5.7928 6.1996 6.1996 6.6998 6.6998 6.9261 6.9261 7.2479 7.2479 7.8664 7.8664 8.3480 8.3480 8.5020 8.5020 8.5655 8.5655 8.8008 8.8008 8.9205 8.9205 9.0739 9.0739 9.5592 9.5592 10.1971 10.1971 10.6498 10.6498 11.7793 11.7793 12.0539 12.0539 k = 0.0000 0.0000 0.1537 ( 4574 PWs) bands (ev): -4.2501 -4.2501 -2.7483 -2.7483 -0.9898 -0.9898 -0.8769 -0.8769 3.2593 3.2593 4.4820 4.4820 4.9935 4.9935 5.8425 5.8425 6.1739 6.1739 6.7058 6.7058 6.9202 6.9202 7.2706 7.2706 7.8911 7.8911 8.3075 8.3075 8.5154 8.5154 8.5488 8.5488 8.7996 8.7996 8.9395 8.9395 9.0589 9.0589 9.5553 9.5553 10.1983 10.1983 10.5966 10.5966 11.7318 11.7318 12.0445 12.0445 k = 0.0000 0.0000 0.1655 ( 4578 PWs) bands (ev): -4.2172 -4.2172 -2.8238 -2.8238 -0.9594 -0.9594 -0.8696 -0.8696 3.2917 3.2917 4.5090 4.5090 4.9386 4.9386 5.8922 5.8922 6.1499 6.1499 6.7125 6.7125 6.9137 6.9137 7.2949 7.2949 7.8931 7.8931 8.2688 8.2688 8.5177 8.5177 8.5513 8.5513 8.7986 8.7986 8.9592 8.9592 9.0443 9.0443 9.5487 9.5487 10.2002 10.2002 10.5490 10.5490 11.6903 11.6903 12.0345 12.0345 k = 0.0000 0.0000 0.1774 ( 4570 PWs) bands (ev): -4.1819 -4.1819 -2.8988 -2.8988 -0.9320 -0.9320 -0.8623 -0.8623 3.3261 3.3261 4.5179 4.5179 4.9062 4.9062 5.9372 5.9372 6.1320 6.1320 6.7198 6.7198 6.9068 6.9068 7.3204 7.3204 7.8710 7.8710 8.2304 8.2304 8.5182 8.5182 8.5665 8.5665 8.7980 8.7980 8.9780 8.9780 9.0317 9.0317 9.5395 9.5395 10.2028 10.2028 10.5074 10.5074 11.6554 11.6554 12.0229 12.0229 k = 0.0000 0.0000 0.1892 ( 4562 PWs) bands (ev): -4.1443 -4.1443 -2.9731 -2.9731 -0.9077 -0.9077 -0.8549 -0.8549 3.3627 3.3627 4.5005 4.5005 4.9048 4.9048 5.9660 5.9660 6.1314 6.1314 6.7276 6.7276 6.8995 6.8995 7.3471 7.3471 7.8273 7.8273 8.1904 8.1904 8.5270 8.5270 8.5843 8.5843 8.7977 8.7977 8.9889 8.9889 9.0281 9.0281 9.5276 9.5276 10.2064 10.2064 10.4718 10.4718 11.6275 11.6275 12.0092 12.0092 k = 0.0000 0.0000 0.2010 ( 4562 PWs) bands (ev): -4.1044 -4.1044 -3.0465 -3.0465 -0.8862 -0.8862 -0.8475 -0.8475 3.4014 3.4014 4.4584 4.4584 4.9324 4.9324 5.9658 5.9658 6.1606 6.1606 6.7358 6.7358 6.8917 6.8917 7.3742 7.3742 7.7672 7.7672 8.1477 8.1477 8.5437 8.5437 8.6023 8.6023 8.7976 8.7976 8.9826 8.9826 9.0425 9.0425 9.5131 9.5131 10.2110 10.2110 10.4421 10.4421 11.6068 11.6068 11.9927 11.9927 k = 0.0000 0.0000 0.2128 ( 4574 PWs) bands (ev): -4.0623 -4.0623 -3.1189 -3.1189 -0.8677 -0.8677 -0.8404 -0.8404 3.4425 3.4425 4.4006 4.4006 4.9798 4.9798 5.9425 5.9425 6.2134 6.2134 6.7444 6.7444 6.8835 6.8835 7.4003 7.4003 7.6964 7.6964 8.1026 8.1026 8.5650 8.5650 8.6200 8.6200 8.7979 8.7979 8.9688 8.9688 9.0655 9.0655 9.4959 9.4959 10.2165 10.2165 10.4173 10.4173 11.5935 11.5935 11.9729 11.9729 k = 0.0000 0.0000 0.2247 ( 4572 PWs) bands (ev): -4.0179 -4.0179 -3.1902 -3.1902 -0.8519 -0.8519 -0.8336 -0.8336 3.4859 3.4859 4.3348 4.3348 5.0389 5.0389 5.9073 5.9073 6.2783 6.2783 6.7534 6.7534 6.8749 6.8749 7.4208 7.4208 7.6233 7.6233 8.0559 8.0559 8.5881 8.5881 8.6370 8.6370 8.7988 8.7988 8.9532 8.9532 9.0913 9.0913 9.4765 9.4765 10.2231 10.2231 10.3965 10.3965 11.5877 11.5877 11.9497 11.9497 k = 0.0000 0.0000 0.2365 ( 4572 PWs) bands (ev): -3.9714 -3.9714 -3.2602 -3.2602 -0.8387 -0.8387 -0.8272 -0.8272 3.5317 3.5317 4.2655 4.2655 5.1048 5.1048 5.8653 5.8653 6.3503 6.3503 6.7628 6.7628 6.8661 6.8661 7.4179 7.4179 7.5682 7.5682 8.0086 8.0086 8.6108 8.6108 8.6528 8.6528 8.8002 8.8002 8.9370 8.9370 9.1185 9.1185 9.4548 9.4548 10.2309 10.2309 10.3789 10.3789 11.5892 11.5892 11.9231 11.9231 k = 0.0000 0.0000 0.2483 ( 4572 PWs) bands (ev): -3.9227 -3.9227 -3.3288 -3.3288 -0.8279 -0.8279 -0.8214 -0.8214 3.5800 3.5800 4.1951 4.1951 5.1743 5.1743 5.8183 5.8183 6.4272 6.4272 6.7727 6.7727 6.8569 6.8569 7.3648 7.3648 7.5603 7.5603 7.9612 7.9612 8.6317 8.6317 8.6671 8.6671 8.8026 8.8026 8.9206 8.9206 9.1467 9.1467 9.4313 9.4313 10.2397 10.2397 10.3633 10.3633 11.5978 11.5978 11.8934 11.8934 k = 0.0000 0.0000 0.2601 ( 4568 PWs) bands (ev): -3.8719 -3.8719 -3.3961 -3.3961 -0.8195 -0.8195 -0.8163 -0.8163 3.6309 3.6309 4.1249 4.1249 5.2457 5.2457 5.7671 5.7671 6.5079 6.5079 6.7833 6.7833 6.8473 6.8473 7.2799 7.2799 7.5829 7.5829 7.9141 7.9141 8.6500 8.6500 8.6792 8.6792 8.8066 8.8066 8.9043 8.9043 9.1756 9.1756 9.4060 9.4060 10.2495 10.2495 10.3490 10.3490 11.6128 11.6128 11.8611 11.8611 k = 0.0000 0.0000 0.2720 ( 4564 PWs) bands (ev): -3.8191 -3.8191 -3.4617 -3.4617 -0.8133 -0.8133 -0.8120 -0.8120 3.6843 3.6843 4.0559 4.0559 5.3175 5.3175 5.7120 5.7120 6.5913 6.5913 6.7949 6.7949 6.8376 6.8376 7.1853 7.1853 7.6158 7.6158 7.8677 7.8677 8.6654 8.6654 8.6884 8.6884 8.8125 8.8125 8.8882 8.8882 9.2050 9.2050 9.3794 9.3794 10.2603 10.2603 10.3355 10.3355 11.6337 11.6337 11.8269 11.8269 k = 0.0000 0.0000 0.2838 ( 4558 PWs) bands (ev): -3.7642 -3.7642 -3.5258 -3.5258 -0.8091 -0.8091 -0.8087 -0.8087 3.7403 3.7403 3.9885 3.9885 5.3888 5.3888 5.6533 5.6533 6.6746 6.6746 6.8082 6.8082 6.8290 6.8290 7.0884 7.0884 7.6530 7.6530 7.8221 7.8221 8.6778 8.6778 8.6938 8.6938 8.8207 8.8207 8.8726 8.8726 9.2346 9.2346 9.3517 9.3517 10.2718 10.2718 10.3223 10.3223 11.6595 11.6595 11.7917 11.7917 k = 0.0000 0.0000 0.2956 ( 4554 PWs) bands (ev): -3.7074 -3.7074 -3.5881 -3.5881 -0.8068 -0.8068 -0.8066 -0.8066 3.7988 3.7988 3.9230 3.9230 5.4586 5.4586 5.5913 5.5913 6.7479 6.7479 6.8084 6.8084 6.8446 6.8446 6.9933 6.9933 7.6928 7.6928 7.7777 7.7777 8.6870 8.6870 8.6953 8.6953 8.8312 8.8312 8.8577 8.8577 9.2644 9.2644 9.3232 9.3232 10.2840 10.2840 10.3093 10.3093 11.6892 11.6892 11.7564 11.7564 k = 0.0000 0.0000 0.3074 ( 4558 PWs) bands (ev): -3.6487 -3.6487 -3.6487 -3.6487 -0.8059 -0.8059 -0.8059 -0.8059 3.8597 3.8597 3.8597 3.8597 5.5262 5.5262 5.5262 5.5262 6.7900 6.7900 6.7900 6.7900 6.9060 6.9060 6.9060 6.9060 7.7345 7.7345 7.7345 7.7345 8.6929 8.6929 8.6929 8.6929 8.8437 8.8437 8.8437 8.8437 9.2940 9.2940 9.2940 9.2940 10.2965 10.2965 10.2965 10.2965 11.7219 11.7219 11.7219 11.7219 k = 0.0000 0.0000 0.3074 ( 4558 PWs) bands (ev): -3.6487 -3.6487 -3.6487 -3.6487 -0.8059 -0.8059 -0.8059 -0.8059 3.8597 3.8597 3.8597 3.8597 5.5262 5.5262 5.5262 5.5262 6.7900 6.7900 6.7900 6.7900 6.9060 6.9060 6.9060 6.9060 7.7345 7.7345 7.7345 7.7345 8.6929 8.6929 8.6929 8.6929 8.8437 8.8437 8.8437 8.8437 9.2940 9.2940 9.2940 9.2940 10.2965 10.2965 10.2965 10.2965 11.7219 11.7219 11.7219 11.7219 k = 0.0122-0.0000 0.3074 ( 4554 PWs) bands (ev): -3.6476 -3.6476 -3.6476 -3.6476 -0.8059 -0.8059 -0.8057 -0.8057 3.8599 3.8599 3.8617 3.8617 5.5261 5.5261 5.5268 5.5268 6.7831 6.7831 6.7853 6.7853 6.9002 6.9002 6.9086 6.9086 7.7201 7.7201 7.7456 7.7456 8.6916 8.6916 8.6927 8.6927 8.8400 8.8400 8.8505 8.8505 9.2934 9.2934 9.2973 9.2973 10.2938 10.2938 10.3065 10.3065 11.7047 11.7047 11.7357 11.7357 k = 0.0244-0.0000 0.3074 ( 4558 PWs) bands (ev): -3.6445 -3.6445 -3.6444 -3.6444 -0.8058 -0.8058 -0.8053 -0.8053 3.8623 3.8623 3.8659 3.8659 5.5264 5.5264 5.5277 5.5277 6.7645 6.7645 6.7689 6.7689 6.8915 6.8915 6.9073 6.9073 7.7034 7.7034 7.7529 7.7529 8.6888 8.6888 8.6907 8.6907 8.8397 8.8397 8.8595 8.8595 9.2957 9.2957 9.3034 9.3034 10.2986 10.2986 10.3237 10.3237 11.6838 11.6838 11.7466 11.7466 k = 0.0366-0.0000 0.3074 ( 4578 PWs) bands (ev): -3.6392 -3.6392 -3.6392 -3.6392 -0.8054 -0.8054 -0.8047 -0.8047 3.8669 3.8669 3.8724 3.8724 5.5269 5.5269 5.5289 5.5289 6.7346 6.7346 6.7412 6.7412 6.8803 6.8803 6.9022 6.9022 7.6860 7.6860 7.7566 7.7566 8.6844 8.6844 8.6862 8.6862 8.8428 8.8428 8.8699 8.8699 9.3005 9.3005 9.3118 9.3118 10.3107 10.3107 10.3477 10.3477 11.6587 11.6587 11.7547 11.7547 k = 0.0488-0.0000 0.3074 ( 4574 PWs) bands (ev): -3.6319 -3.6319 -3.6318 -3.6318 -0.8049 -0.8049 -0.8039 -0.8039 3.8737 3.8737 3.8811 3.8811 5.5274 5.5274 5.5301 5.5301 6.6944 6.6944 6.7023 6.7023 6.8669 6.8669 6.8935 6.8935 7.6693 7.6693 7.7575 7.7575 8.6784 8.6784 8.6793 8.6793 8.8489 8.8489 8.8809 8.8809 9.3075 9.3075 9.3222 9.3222 10.3298 10.3298 10.3779 10.3779 11.6288 11.6288 11.7601 11.7601 k = 0.0610-0.0000 0.3074 ( 4578 PWs) bands (ev): -3.6225 -3.6225 -3.6224 -3.6224 -0.8042 -0.8042 -0.8030 -0.8030 3.8825 3.8825 3.8921 3.8921 5.5277 5.5277 5.5309 5.5309 6.6449 6.6449 6.6531 6.6531 6.8513 6.8513 6.8816 6.8816 7.6545 7.6545 7.7564 7.7564 8.6698 8.6698 8.6706 8.6706 8.8568 8.8568 8.8915 8.8915 9.3161 9.3161 9.3339 9.3339 10.3555 10.3555 10.4136 10.4136 11.5937 11.5937 11.7627 11.7627 k = 0.0732-0.0000 0.3074 ( 4582 PWs) bands (ev): -3.6110 -3.6110 -3.6109 -3.6109 -0.8034 -0.8034 -0.8020 -0.8020 3.8933 3.8933 3.9052 3.9052 5.5272 5.5272 5.5308 5.5308 6.5878 6.5878 6.5948 6.5948 6.8337 6.8337 6.8672 6.8672 7.6423 7.6423 7.7543 7.7543 8.6580 8.6580 8.6608 8.6608 8.8653 8.8653 8.9011 8.9011 9.3257 9.3257 9.3463 9.3463 10.3871 10.3871 10.4537 10.4537 11.5532 11.5532 11.7617 11.7617 k = 0.0854-0.0000 0.3074 ( 4582 PWs) bands (ev): -3.5976 -3.5976 -3.5974 -3.5974 -0.8026 -0.8026 -0.8009 -0.8009 3.9061 3.9061 3.9206 3.9206 5.5252 5.5252 5.5291 5.5291 6.5250 6.5250 6.5296 6.5296 6.8144 6.8144 6.8505 6.8505 7.6326 7.6326 7.7518 7.7518 8.6441 8.6441 8.6491 8.6491 8.8735 8.8735 8.9091 8.9091 9.3360 9.3360 9.3588 9.3588 10.4236 10.4236 10.4967 10.4967 11.5075 11.5075 11.7540 11.7540 k = 0.0976-0.0000 0.3074 ( 4584 PWs) bands (ev): -3.5821 -3.5821 -3.5818 -3.5818 -0.8017 -0.8017 -0.7998 -0.7998 3.9208 3.9208 3.9380 3.9380 5.5210 5.5210 5.5246 5.5246 6.4586 6.4586 6.4598 6.4598 6.7935 6.7935 6.8320 6.8320 7.6254 7.6254 7.7493 7.7493 8.6286 8.6286 8.6357 8.6357 8.8805 8.8805 8.9152 8.9152 9.3462 9.3462 9.3708 9.3708 10.4640 10.4640 10.5411 10.5411 11.4576 11.4576 11.7256 11.7256 k = 0.1098-0.0000 0.3074 ( 4572 PWs) bands (ev): -3.5646 -3.5646 -3.5643 -3.5643 -0.8009 -0.8009 -0.7988 -0.7988 3.9371 3.9371 3.9575 3.9575 5.5132 5.5132 5.5162 5.5162 6.3884 6.3884 6.3912 6.3912 6.7714 6.7714 6.8121 6.8121 7.6200 7.6200 7.7470 7.7470 8.6116 8.6116 8.6205 8.6205 8.8857 8.8857 8.9191 8.9191 9.3561 9.3561 9.3818 9.3818 10.5068 10.5068 10.5846 10.5846 11.4054 11.4054 11.6559 11.6559 k = 0.1220-0.0000 0.3074 ( 4564 PWs) bands (ev): -3.5452 -3.5452 -3.5449 -3.5449 -0.8002 -0.8002 -0.7978 -0.7978 3.9550 3.9550 3.9791 3.9791 5.5005 5.5005 5.5019 5.5019 6.3188 6.3188 6.3254 6.3254 6.7483 6.7483 6.7910 6.7910 7.6159 7.6159 7.7447 7.7447 8.5933 8.5933 8.6039 8.6039 8.8888 8.8888 8.9207 8.9207 9.3652 9.3652 9.3915 9.3915 10.5503 10.5503 10.6243 10.6243 11.3536 11.3536 11.5677 11.5677 k = 0.1341-0.0000 0.3074 ( 4564 PWs) bands (ev): -3.5239 -3.5239 -3.5236 -3.5236 -0.7997 -0.7997 -0.7971 -0.7971 3.9743 3.9743 4.0025 4.0025 5.4797 5.4797 5.4812 5.4812 6.2544 6.2544 6.2642 6.2642 6.7245 6.7245 6.7690 6.7690 7.6125 7.6125 7.7422 7.7422 8.5739 8.5739 8.5858 8.5858 8.8896 8.8896 8.9200 8.9200 9.3734 9.3734 9.3996 9.3996 10.5924 10.5924 10.6564 10.6564 11.3067 11.3067 11.4780 11.4780 k = 0.1463-0.0000 0.3074 ( 4570 PWs) bands (ev): -3.5007 -3.5007 -3.5004 -3.5004 -0.7994 -0.7994 -0.7965 -0.7965 3.9948 3.9948 4.0278 4.0278 5.4476 5.4476 5.4538 5.4538 6.1985 6.1985 6.2103 6.2103 6.7003 6.7003 6.7463 6.7463 7.6091 7.6091 7.7394 7.7394 8.5533 8.5533 8.5663 8.5663 8.8880 8.8880 8.9169 8.9169 9.3803 9.3803 9.4059 9.4059 10.6303 10.6303 10.6762 10.6762 11.2700 11.2700 11.3930 11.3930 k = 0.1585-0.0000 0.3074 ( 4572 PWs) bands (ev): -3.4758 -3.4758 -3.4755 -3.4755 -0.7994 -0.7994 -0.7963 -0.7963 4.0161 4.0161 4.0547 4.0547 5.4042 5.4042 5.4172 5.4172 6.1535 6.1535 6.1659 6.1659 6.6760 6.6760 6.7231 6.7231 7.6053 7.6053 7.7360 7.7360 8.5318 8.5318 8.5457 8.5457 8.8840 8.8840 8.9115 8.9115 9.3859 9.3859 9.4103 9.4103 10.6599 10.6599 10.6792 10.6792 11.2487 11.2487 11.3177 11.3177 k = 0.1707-0.0000 0.3074 ( 4572 PWs) bands (ev): -3.4492 -3.4492 -3.4488 -3.4488 -0.7999 -0.7999 -0.7966 -0.7966 4.0379 4.0379 4.0832 4.0832 5.3494 5.3494 5.3714 5.3714 6.1205 6.1205 6.1320 6.1320 6.6518 6.6518 6.6996 6.6996 7.6007 7.6007 7.7317 7.7317 8.5093 8.5093 8.5239 8.5239 8.8776 8.8776 8.9039 8.9039 9.3901 9.3901 9.4127 9.4127 10.6631 10.6631 10.6764 10.6764 11.2457 11.2457 11.2575 11.2575 k = 0.1829-0.0000 0.3074 ( 4576 PWs) bands (ev): -3.4209 -3.4209 -3.4204 -3.4204 -0.8008 -0.8008 -0.7973 -0.7973 4.0597 4.0597 4.1129 4.1129 5.2844 5.2844 5.3173 5.3173 6.0993 6.0993 6.1086 6.1086 6.6280 6.6280 6.6760 6.6760 7.5949 7.5949 7.7262 7.7262 8.4859 8.4859 8.5012 8.5012 8.8690 8.8690 8.8942 8.8942 9.3927 9.3927 9.4131 9.4131 10.6297 10.6297 10.6747 10.6747 11.2174 11.2174 11.2598 11.2598 k = 0.1951-0.0000 0.3074 ( 4580 PWs) bands (ev): -3.3910 -3.3910 -3.3905 -3.3905 -0.8024 -0.8024 -0.7986 -0.7986 4.0808 4.0808 4.1435 4.1435 5.2115 5.2115 5.2573 5.2573 6.0883 6.0883 6.0945 6.0945 6.6051 6.6051 6.6526 6.6526 7.5876 7.5876 7.7192 7.7192 8.4617 8.4617 8.4776 8.4776 8.8583 8.8583 8.8825 8.8825 9.3935 9.3935 9.4113 9.4113 10.5838 10.5838 10.6524 10.6524 11.1997 11.1997 11.2864 11.2864 k = 0.2073-0.0000 0.3074 ( 4578 PWs) bands (ev): -3.3596 -3.3596 -3.3591 -3.3591 -0.8046 -0.8046 -0.8006 -0.8006 4.1005 4.1005 4.1746 4.1746 5.1334 5.1334 5.1940 5.1940 6.0854 6.0854 6.0879 6.0879 6.5833 6.5833 6.6295 6.6295 7.5785 7.5785 7.7106 7.7106 8.4367 8.4367 8.4531 8.4531 8.8454 8.8454 8.8688 8.8688 9.3927 9.3927 9.4076 9.4076 10.5302 10.5302 10.6124 10.6124 11.2011 11.2011 11.3205 11.3205 k = 0.2195-0.0000 0.3074 ( 4578 PWs) bands (ev): -3.3268 -3.3268 -3.3263 -3.3263 -0.8075 -0.8075 -0.8033 -0.8033 4.1177 4.1177 4.2055 4.2055 5.0531 5.0531 5.1305 5.1305 6.0869 6.0869 6.0887 6.0887 6.5632 6.5632 6.6070 6.6070 7.5677 7.5677 7.7001 7.7001 8.4108 8.4108 8.4280 8.4280 8.8306 8.8306 8.8533 8.8533 9.3901 9.3901 9.4017 9.4017 10.4731 10.4731 10.5606 10.5606 11.2150 11.2150 11.3569 11.3569 k = 0.2317-0.0000 0.3074 ( 4578 PWs) bands (ev): -3.2928 -3.2928 -3.2922 -3.2922 -0.8113 -0.8113 -0.8069 -0.8069 4.1311 4.1311 4.2351 4.2351 4.9734 4.9734 5.0698 5.0698 6.0898 6.0898 6.0965 6.0965 6.5452 6.5452 6.5853 6.5853 7.5549 7.5549 7.6877 7.6877 8.3842 8.3842 8.4023 8.4023 8.8138 8.8138 8.8362 8.8362 9.3856 9.3856 9.3938 9.3938 10.4151 10.4151 10.5029 10.5029 11.2344 11.2344 11.3900 11.3900 k = 0.2439-0.0000 0.3074 ( 4580 PWs) bands (ev): -3.2575 -3.2575 -3.2570 -3.2570 -0.8160 -0.8160 -0.8115 -0.8115 4.1393 4.1393 4.2618 4.2618 4.8975 4.8975 5.0147 5.0147 6.0947 6.0947 6.1070 6.1070 6.5300 6.5300 6.5648 6.5648 7.5403 7.5403 7.6732 7.6732 8.3570 8.3570 8.3761 8.3761 8.7954 8.7954 8.8175 8.8175 9.3791 9.3791 9.3838 9.3838 10.3581 10.3581 10.4434 10.4434 11.2537 11.2537 11.4120 11.4120 k = 0.2561-0.0000 0.3074 ( 4570 PWs) bands (ev): -3.2212 -3.2212 -3.2207 -3.2207 -0.8217 -0.8217 -0.8170 -0.8170 4.1406 4.1406 4.2828 4.2828 4.8292 4.8292 4.9680 4.9680 6.1002 6.1002 6.1191 6.1191 6.5180 6.5180 6.5457 6.5457 7.5240 7.5240 7.6566 7.6566 8.3292 8.3292 8.3495 8.3495 8.7754 8.7754 8.7975 8.7975 9.3708 9.3708 9.3720 9.3720 10.3033 10.3033 10.3847 10.3847 11.2687 11.2687 11.4154 11.4154 k = 0.2683-0.0000 0.3074 ( 4570 PWs) bands (ev): -3.1841 -3.1841 -3.1834 -3.1834 -0.8284 -0.8284 -0.8235 -0.8235 4.1336 4.1336 4.2941 4.2941 4.7734 4.7734 4.9320 4.9320 6.1051 6.1051 6.1314 6.1314 6.5099 6.5099 6.5284 6.5284 7.5062 7.5062 7.6379 7.6379 8.3009 8.3009 8.3227 8.3227 8.7540 8.7540 8.7762 8.7762 9.3583 9.3583 9.3606 9.3606 10.2514 10.2514 10.3285 10.3285 11.2766 11.2766 11.4003 11.4003 k = 0.2805-0.0000 0.3074 ( 4574 PWs) bands (ev): -3.1462 -3.1462 -3.1455 -3.1455 -0.8362 -0.8362 -0.8311 -0.8311 4.1175 4.1175 4.2911 4.2911 4.7354 4.7354 4.9081 4.9081 6.1083 6.1083 6.1428 6.1428 6.5060 6.5060 6.5132 6.5132 7.4873 7.4873 7.6173 7.6173 8.2723 8.2723 8.2957 8.2957 8.7313 8.7313 8.7538 8.7538 9.3428 9.3428 9.3487 9.3487 10.2028 10.2028 10.2757 10.2757 11.2767 11.2767 11.3740 11.3740 k = 0.2927-0.0000 0.3074 ( 4582 PWs) bands (ev): -3.1077 -3.1077 -3.1070 -3.1070 -0.8451 -0.8451 -0.8398 -0.8398 4.0925 4.0925 4.2706 4.2706 4.7187 4.7187 4.8965 4.8965 6.1093 6.1093 6.1525 6.1525 6.5004 6.5004 6.5063 6.5063 7.4677 7.4677 7.5950 7.5950 8.2435 8.2435 8.2687 8.2687 8.7076 8.7076 8.7305 8.7305 9.3259 9.3259 9.3349 9.3349 10.1578 10.1578 10.2266 10.2266 11.2698 11.2698 11.3423 11.3423 k = 0.3049-0.0000 0.3074 ( 4588 PWs) bands (ev): -3.0688 -3.0688 -3.0681 -3.0681 -0.8551 -0.8551 -0.8497 -0.8497 4.0598 4.0598 4.2342 4.2342 4.7222 4.7222 4.8963 4.8963 6.1079 6.1079 6.1596 6.1596 6.4901 6.4901 6.5107 6.5107 7.4481 7.4481 7.5714 7.5714 8.2146 8.2146 8.2418 8.2418 8.6829 8.6829 8.7064 8.7064 9.3078 9.3078 9.3198 9.3198 10.1165 10.1165 10.1817 10.1817 11.2573 11.2573 11.3087 11.3087 k = 0.3171-0.0000 0.3074 ( 4580 PWs) bands (ev): -3.0298 -3.0298 -3.0291 -3.0291 -0.8661 -0.8661 -0.8605 -0.8605 4.0213 4.0213 4.1868 4.1868 4.7411 4.7411 4.9058 4.9058 6.1043 6.1043 6.1636 6.1636 6.4821 6.4821 6.5183 6.5183 7.4292 7.4292 7.5467 7.5467 8.1860 8.1860 8.2150 8.2150 8.6576 8.6576 8.6817 8.6817 9.2887 9.2887 9.3033 9.3033 10.0788 10.0788 10.1408 10.1408 11.2413 11.2413 11.2750 11.2750 k = 0.3293-0.0000 0.3074 ( 4576 PWs) bands (ev): -2.9909 -2.9909 -2.9901 -2.9901 -0.8781 -0.8781 -0.8724 -0.8724 3.9790 3.9790 4.1337 4.1337 4.7702 4.7702 4.9231 4.9231 6.0989 6.0989 6.1644 6.1644 6.4760 6.4760 6.5284 6.5284 7.4116 7.4116 7.5217 7.5217 8.1577 8.1577 8.1885 8.1885 8.6318 8.6318 8.6566 8.6566 9.2689 9.2689 9.2857 9.2857 10.0446 10.0446 10.1039 10.1039 11.2230 11.2230 11.2420 11.2420 k = 0.3415-0.0000 0.3074 ( 4588 PWs) bands (ev): -2.9523 -2.9523 -2.9515 -2.9515 -0.8910 -0.8910 -0.8852 -0.8852 3.9347 3.9347 4.0788 4.0788 4.8057 4.8057 4.9463 4.9463 6.0925 6.0925 6.1622 6.1622 6.4709 6.4709 6.5396 6.5396 7.3962 7.3962 7.4970 7.4970 8.1299 8.1299 8.1623 8.1623 8.6056 8.6056 8.6313 8.6313 9.2486 9.2486 9.2672 9.2672 10.0137 10.0137 10.0707 10.0707 11.2037 11.2037 11.2106 11.2106 k = 0.3537-0.0000 0.3074 ( 4586 PWs) bands (ev): -2.9144 -2.9144 -2.9136 -2.9136 -0.9046 -0.9046 -0.8987 -0.8987 3.8902 3.8902 4.0245 4.0245 4.8450 4.8450 4.9735 4.9735 6.0857 6.0857 6.1575 6.1575 6.4659 6.4659 6.5507 6.5507 7.3837 7.3837 7.4733 7.4733 8.1028 8.1028 8.1366 8.1366 8.5794 8.5794 8.6059 8.6059 9.2283 9.2283 9.2483 9.2483 9.9861 9.9861 10.0412 10.0412 11.1810 11.1810 11.1843 11.1843 k = 0.3659-0.0000 0.3074 ( 4596 PWs) bands (ev): -2.8774 -2.8774 -2.8765 -2.8765 -0.9189 -0.9189 -0.9128 -0.9128 3.8466 3.8466 3.9724 3.9724 4.8864 4.8864 5.0033 5.0033 6.0792 6.0792 6.1511 6.1511 6.4598 6.4598 6.5605 6.5605 7.3747 7.3747 7.4515 7.4515 8.0765 8.0765 8.1115 8.1115 8.5532 8.5532 8.5806 8.5806 9.2082 9.2082 9.2292 9.2292 9.9614 9.9614 10.0149 10.0149 11.1535 11.1535 11.1654 11.1654 k = 0.3780-0.0000 0.3074 ( 4592 PWs) bands (ev): -2.8417 -2.8417 -2.8408 -2.8408 -0.9334 -0.9334 -0.9273 -0.9273 3.8049 3.8049 3.9233 3.9233 4.9287 4.9287 5.0344 5.0344 6.0738 6.0738 6.1434 6.1434 6.4519 6.4519 6.5678 6.5678 7.3696 7.3696 7.4324 7.4324 8.0512 8.0512 8.0870 8.0870 8.5275 8.5275 8.5556 8.5556 9.1888 9.1888 9.2104 9.2104 9.9396 9.9396 9.9918 9.9918 11.1284 11.1284 11.1474 11.1474 k = 0.3902-0.0000 0.3074 ( 4596 PWs) bands (ev): -2.8076 -2.8076 -2.8067 -2.8067 -0.9481 -0.9481 -0.9419 -0.9419 3.7658 3.7658 3.8781 3.8781 4.9708 4.9708 5.0657 5.0657 6.0698 6.0698 6.1354 6.1354 6.4416 6.4416 6.5719 6.5719 7.3686 7.3686 7.4168 7.4168 8.0271 8.0271 8.0634 8.0634 8.5024 8.5024 8.5313 8.5313 9.1703 9.1703 9.1920 9.1920 9.9203 9.9203 9.9716 9.9716 11.1057 11.1057 11.1306 11.1306 k = 0.4024-0.0000 0.3074 ( 4602 PWs) bands (ev): -2.7756 -2.7756 -2.7746 -2.7746 -0.9626 -0.9626 -0.9563 -0.9563 3.7299 3.7299 3.8370 3.8370 5.0119 5.0119 5.0962 5.0962 6.0676 6.0676 6.1274 6.1274 6.4289 6.4289 6.5721 6.5721 7.3716 7.3716 7.4051 7.4051 8.0042 8.0042 8.0407 8.0407 8.4782 8.4782 8.5079 8.5079 9.1528 9.1528 9.1745 9.1745 9.9036 9.9036 9.9540 9.9540 11.0855 11.0855 11.1153 11.1153 k = 0.4146-0.0000 0.3074 ( 4576 PWs) bands (ev): -2.7460 -2.7460 -2.7449 -2.7449 -0.9766 -0.9766 -0.9702 -0.9702 3.6977 3.6977 3.8004 3.8004 5.0511 5.0511 5.1250 5.1250 6.0675 6.0675 6.1199 6.1199 6.4141 6.4141 6.5683 6.5683 7.3779 7.3779 7.3975 7.3975 7.9830 7.9830 8.0193 8.0193 8.4556 8.4556 8.4858 8.4858 9.1369 9.1369 9.1583 9.1583 9.8893 9.8893 9.9391 9.9391 11.0678 11.0678 11.1017 11.1017 k = 0.4268-0.0000 0.3074 ( 4572 PWs) bands (ev): -2.7192 -2.7192 -2.7181 -2.7181 -0.9897 -0.9897 -0.9833 -0.9833 3.6693 3.6693 3.7684 3.7684 5.0877 5.0877 5.1514 5.1514 6.0695 6.0695 6.1134 6.1134 6.3977 6.3977 6.5609 6.5609 7.3869 7.3869 7.3938 7.3938 7.9634 7.9634 7.9993 7.9993 8.4347 8.4347 8.4654 8.4654 9.1225 9.1225 9.1436 9.1436 9.8772 9.8772 9.9264 9.9264 11.0526 11.0526 11.0897 11.0897 k = 0.4390-0.0000 0.3074 ( 4568 PWs) bands (ev): -2.6957 -2.6957 -2.6946 -2.6946 -1.0016 -1.0016 -0.9951 -0.9951 3.6450 3.6450 3.7412 3.7412 5.1206 5.1206 5.1747 5.1747 6.0734 6.0734 6.1081 6.1081 6.3807 6.3807 6.5505 6.5505 7.3933 7.3933 7.3975 7.3975 7.9458 7.9458 7.9812 7.9812 8.4159 8.4159 8.4470 8.4470 9.1100 9.1100 9.1306 9.1306 9.8671 9.8671 9.9159 9.9159 11.0398 11.0398 11.0796 11.0796 k = 0.4512-0.0000 0.3074 ( 4566 PWs) bands (ev): -2.6758 -2.6758 -2.6746 -2.6746 -1.0119 -1.0119 -1.0054 -1.0054 3.6249 3.6249 3.7189 3.7189 5.1492 5.1492 5.1943 5.1943 6.0786 6.0786 6.1040 6.1040 6.3642 6.3642 6.5386 6.5386 7.3952 7.3952 7.4087 7.4087 7.9306 7.9306 7.9652 7.9652 8.3998 8.3998 8.4312 8.4312 9.0995 9.0995 9.1196 9.1196 9.8590 9.8590 9.9074 9.9074 11.0295 11.0295 11.0713 11.0713 k = 0.4634-0.0000 0.3074 ( 4574 PWs) bands (ev): -2.6599 -2.6599 -2.6587 -2.6587 -1.0204 -1.0204 -1.0138 -1.0138 3.6093 3.6093 3.7015 3.7015 5.1725 5.1725 5.2100 5.2100 6.0843 6.0843 6.1012 6.1012 6.3495 6.3495 6.5267 6.5267 7.3983 7.3983 7.4190 7.4190 7.9181 7.9181 7.9519 7.9519 8.3867 8.3867 8.4183 8.4183 9.0912 9.0912 9.1109 9.1109 9.8527 9.8527 9.9009 9.9009 11.0215 11.0215 11.0648 11.0648 k = 0.4756-0.0000 0.3074 ( 4572 PWs) bands (ev): -2.6483 -2.6483 -2.6471 -2.6471 -1.0266 -1.0266 -1.0201 -1.0201 3.5980 3.5980 3.6891 3.6891 5.1897 5.1897 5.2214 5.2214 6.0895 6.0895 6.0994 6.0994 6.3378 6.3378 6.5165 6.5165 7.4016 7.4016 7.4275 7.4275 7.9088 7.9088 7.9419 7.9419 8.3771 8.3771 8.4089 8.4089 9.0852 9.0852 9.1046 9.1046 9.8483 9.8483 9.8964 9.8964 11.0158 11.0158 11.0602 11.0602 k = 0.4878-0.0000 0.3074 ( 4572 PWs) bands (ev): -2.6413 -2.6413 -2.6400 -2.6400 -1.0305 -1.0305 -1.0239 -1.0239 3.5913 3.5913 3.6816 3.6816 5.2004 5.2004 5.2283 5.2283 6.0932 6.0932 6.0985 6.0985 6.3303 6.3303 6.5096 6.5096 7.4039 7.4039 7.4331 7.4331 7.9030 7.9030 7.9356 7.9356 8.3712 8.3712 8.4030 8.4030 9.0815 9.0815 9.1007 9.1007 9.8457 9.8457 9.8937 9.8937 11.0124 11.0124 11.0574 11.0574 k = 0.5000-0.0000 0.3074 ( 4564 PWs) bands (ev): -2.6389 -2.6389 -2.6377 -2.6377 -1.0318 -1.0318 -1.0252 -1.0252 3.5890 3.5890 3.6791 3.6791 5.2040 5.2040 5.2306 5.2306 6.0946 6.0946 6.0983 6.0983 6.3277 6.3277 6.5072 6.5072 7.4048 7.4048 7.4350 7.4350 7.9011 7.9011 7.9334 7.9334 8.3692 8.3692 8.4011 8.4011 9.0804 9.0804 9.0994 9.0994 9.8449 9.8449 9.8928 9.8928 11.0113 11.0113 11.0565 11.0565 k = 0.5000-0.0000 0.3074 ( 4564 PWs) bands (ev): -2.6389 -2.6389 -2.6377 -2.6377 -1.0318 -1.0318 -1.0252 -1.0252 3.5890 3.5890 3.6791 3.6791 5.2040 5.2040 5.2306 5.2306 6.0946 6.0946 6.0983 6.0983 6.3277 6.3277 6.5072 6.5072 7.4048 7.4048 7.4350 7.4350 7.9011 7.9011 7.9334 7.9334 8.3692 8.3692 8.4011 8.4011 9.0804 9.0804 9.0994 9.0994 9.8449 9.8449 9.8928 9.8928 11.0113 11.0113 11.0565 11.0565 k = 0.5000 0.0120 0.3074 ( 4568 PWs) bands (ev): -2.6381 -2.6381 -2.6369 -2.6369 -1.0324 -1.0324 -1.0259 -1.0259 3.5852 3.5852 3.6745 3.6745 5.2104 5.2104 5.2347 5.2347 6.0708 6.0708 6.0791 6.0791 6.3515 6.3515 6.5206 6.5206 7.4048 7.4048 7.4346 7.4346 7.9046 7.9046 7.9372 7.9372 8.3701 8.3701 8.4019 8.4019 9.0804 9.0804 9.0995 9.0995 9.8462 9.8462 9.8940 9.8940 11.0142 11.0142 11.0594 11.0594 k = 0.5000 0.0240 0.3074 ( 4576 PWs) bands (ev): -2.6356 -2.6356 -2.6344 -2.6344 -1.0344 -1.0344 -1.0279 -1.0279 3.5739 3.5739 3.6610 3.6610 5.2292 5.2292 5.2464 5.2464 6.0083 6.0083 6.0387 6.0387 6.4033 6.4033 6.5552 6.5552 7.4048 7.4048 7.4335 7.4335 7.9150 7.9150 7.9484 7.9484 8.3725 8.3725 8.4045 8.4045 9.0806 9.0806 9.0995 9.0995 9.8504 9.8504 9.8977 9.8977 11.0232 11.0232 11.0683 11.0683 k = 0.5000 0.0360 0.3074 ( 4584 PWs) bands (ev): -2.6316 -2.6316 -2.6304 -2.6304 -1.0378 -1.0378 -1.0313 -1.0313 3.5559 3.5559 3.6396 3.6396 5.2585 5.2585 5.2634 5.2634 5.9328 5.9328 5.9848 5.9848 6.4621 6.4621 6.6012 6.6012 7.4052 7.4052 7.4320 7.4320 7.9318 7.9318 7.9663 7.9663 8.3767 8.3767 8.4090 8.4090 9.0808 9.0808 9.0995 9.0995 9.8573 9.8573 9.9038 9.9038 11.0380 11.0380 11.0830 11.0830 k = 0.5000 0.0481 0.3074 ( 4580 PWs) bands (ev): -2.6259 -2.6259 -2.6247 -2.6247 -1.0425 -1.0425 -1.0360 -1.0360 3.5322 3.5322 3.6116 3.6116 5.2819 5.2819 5.2947 5.2947 5.8546 5.8546 5.9279 5.9279 6.5200 6.5200 6.6511 6.6511 7.4063 7.4063 7.4306 7.4306 7.9543 7.9543 7.9901 7.9901 8.3827 8.3827 8.4153 8.4153 9.0812 9.0812 9.0997 9.0997 9.8671 9.8671 9.9125 9.9125 11.0588 11.0588 11.1035 11.1035 k = 0.5000 0.0601 0.3074 ( 4580 PWs) bands (ev): -2.6187 -2.6187 -2.6175 -2.6175 -1.0486 -1.0486 -1.0422 -1.0422 3.5040 3.5040 3.5785 3.5785 5.2956 5.2956 5.3314 5.3314 5.7818 5.7818 5.8774 5.8774 6.5741 6.5741 6.7007 6.7007 7.4085 7.4085 7.4299 7.4299 7.9817 7.9817 8.0187 8.0187 8.3905 8.3905 8.4235 8.4235 9.0817 9.0817 9.0999 9.0999 9.8797 9.8797 9.9236 9.9236 11.0853 11.0853 11.1295 11.1295 k = 0.5000 0.0721 0.3074 ( 4580 PWs) bands (ev): -2.6099 -2.6099 -2.6087 -2.6087 -1.0560 -1.0560 -1.0497 -1.0497 3.4725 3.4725 3.5420 3.5420 5.2962 5.2962 5.3560 5.3560 5.7268 5.7268 5.8430 5.8430 6.6232 6.6232 6.7477 6.7477 7.4122 7.4122 7.4303 7.4303 8.0127 8.0127 8.0508 8.0508 8.4002 8.4002 8.4339 8.4339 9.0824 9.0824 9.1001 9.1001 9.8951 9.8951 9.9373 9.9373 11.1175 11.1175 11.1609 11.1609 k = 0.5000 0.0841 0.3074 ( 4572 PWs) bands (ev): -2.5996 -2.5996 -2.5984 -2.5984 -1.0648 -1.0648 -1.0586 -1.0586 3.4389 3.4389 3.5034 3.5034 5.2759 5.2759 5.3489 5.3489 5.7087 5.7087 5.8327 5.8327 6.6669 6.6669 6.7910 6.7910 7.4178 7.4178 7.4323 7.4323 8.0463 8.0463 8.0851 8.0851 8.4121 8.4121 8.4466 8.4466 9.0831 9.0831 9.1004 9.1004 9.9135 9.9135 9.9536 9.9536 11.1551 11.1551 11.1973 11.1973 k = 0.5000 0.0961 0.3074 ( 4572 PWs) bands (ev): -2.5878 -2.5878 -2.5866 -2.5866 -1.0750 -1.0750 -1.0689 -1.0689 3.4045 3.4045 3.4641 3.4641 5.2323 5.2323 5.3021 5.3021 5.7348 5.7348 5.8486 5.8486 6.7050 6.7050 6.8299 6.8299 7.4256 7.4256 7.4361 7.4361 8.0811 8.0811 8.1202 8.1202 8.4263 8.4263 8.4617 8.4617 9.0839 9.0839 9.1007 9.1007 9.9348 9.9348 9.9725 9.9725 11.1977 11.1977 11.2378 11.2378 k = 0.5000 0.1081 0.3074 ( 4576 PWs) bands (ev): -2.5746 -2.5746 -2.5734 -2.5734 -1.0866 -1.0866 -1.0806 -1.0806 3.3701 3.3701 3.4252 3.4252 5.1694 5.1694 5.2284 5.2284 5.7917 5.7917 5.8863 5.8863 6.7376 6.7376 6.8646 6.8646 7.4358 7.4358 7.4419 7.4419 8.1159 8.1159 8.1549 8.1549 8.4431 8.4431 8.4795 8.4795 9.0848 9.0848 9.1010 9.1010 9.9590 9.9590 9.9940 9.9940 11.2446 11.2446 11.2813 11.2813 k = 0.5000 0.1201 0.3074 ( 4580 PWs) bands (ev): -2.5600 -2.5600 -2.5588 -2.5588 -1.0995 -1.0995 -1.0937 -1.0937 3.3368 3.3368 3.3875 3.3875 5.0934 5.0934 5.1414 5.1414 5.8649 5.8649 5.9390 5.9390 6.7652 6.7652 6.8951 6.8951 7.4484 7.4484 7.4498 7.4498 8.1495 8.1495 8.1880 8.1880 8.4627 8.4627 8.5002 8.5002 9.0858 9.0858 9.1014 9.1014 9.9862 9.9862 10.0182 10.0182 11.2950 11.2950 11.3259 11.3259 k = 0.5000 0.1321 0.3074 ( 4572 PWs) bands (ev): -2.5441 -2.5441 -2.5429 -2.5429 -1.1138 -1.1138 -1.1081 -1.1081 3.3053 3.3053 3.3520 3.3520 5.0094 5.0094 5.0483 5.0483 5.9468 5.9468 6.0011 6.0011 6.7881 6.7881 6.9219 6.9219 7.4598 7.4598 7.4634 7.4634 8.1808 8.1808 8.2186 8.2186 8.4853 8.4853 8.5237 8.5237 9.0869 9.0869 9.1018 9.1018 10.0164 10.0164 10.0453 10.0453 11.3475 11.3475 11.3686 11.3686 k = 0.5000 0.1442 0.3074 ( 4568 PWs) bands (ev): -2.5270 -2.5270 -2.5257 -2.5257 -1.1293 -1.1293 -1.1238 -1.1238 3.2761 3.2761 3.3191 3.3191 4.9206 4.9206 4.9523 4.9523 6.0333 6.0333 6.0685 6.0685 6.8069 6.8069 6.9456 6.9456 7.4717 7.4717 7.4808 7.4808 8.2091 8.2091 8.2460 8.2460 8.5109 8.5109 8.5500 8.5500 9.0881 9.0881 9.1023 9.1023 10.0497 10.0497 10.0750 10.0750 11.3997 11.3997 11.4037 11.4037 k = 0.5000 0.1562 0.3074 ( 4572 PWs) bands (ev): -2.5087 -2.5087 -2.5074 -2.5074 -1.1462 -1.1462 -1.1409 -1.1409 3.2499 3.2499 3.2894 3.2894 4.8292 4.8292 4.8553 4.8553 6.1222 6.1222 6.1383 6.1383 6.8222 6.8222 6.9667 6.9667 7.4855 7.4855 7.5003 7.5003 8.2338 8.2338 8.2699 8.2699 8.5393 8.5393 8.5787 8.5787 9.0893 9.0893 9.1028 9.1028 10.0858 10.0858 10.1075 10.1075 11.4234 11.4234 11.4479 11.4479 k = 0.5000 0.1682 0.3074 ( 4564 PWs) bands (ev): -2.4894 -2.4894 -2.4881 -2.4881 -1.1642 -1.1642 -1.1591 -1.1591 3.2270 3.2270 3.2634 3.2634 4.7368 4.7368 4.7584 4.7584 6.2086 6.2086 6.2116 6.2116 6.8346 6.8346 6.9860 6.9860 7.5008 7.5008 7.5219 7.5219 8.2548 8.2548 8.2904 8.2904 8.5702 8.5702 8.6093 8.6093 9.0905 9.0905 9.1033 9.1033 10.1248 10.1248 10.1427 10.1427 11.4198 11.4198 11.4849 11.4849 k = 0.5000 0.1802 0.3074 ( 4568 PWs) bands (ev): -2.4692 -2.4692 -2.4679 -2.4679 -1.1833 -1.1833 -1.1784 -1.1784 3.2079 3.2079 3.2414 3.2414 4.6442 4.6442 4.6621 4.6621 6.2774 6.2774 6.3004 6.3004 6.8447 6.8447 7.0040 7.0040 7.5177 7.5177 7.5452 7.5452 8.2721 8.2721 8.3074 8.3074 8.6032 8.6032 8.6412 8.6412 9.0919 9.0919 9.1038 9.1038 10.1664 10.1664 10.1805 10.1805 11.3925 11.3925 11.4984 11.4984 k = 0.5000 0.1922 0.3074 ( 4572 PWs) bands (ev): -2.4482 -2.4482 -2.4469 -2.4469 -1.2034 -1.2034 -1.1987 -1.1987 3.1928 3.1928 3.2236 3.2236 4.5523 4.5523 4.5671 4.5671 6.3434 6.3434 6.3870 6.3870 6.8532 6.8532 7.0213 7.0213 7.5359 7.5359 7.5702 7.5702 8.2858 8.2858 8.3212 8.3212 8.6376 8.6376 8.6741 8.6741 9.0932 9.0932 9.1044 9.1044 10.2105 10.2105 10.2209 10.2209 11.3485 11.3485 11.4793 11.4793 k = 0.5000 0.2042 0.3074 ( 4568 PWs) bands (ev): -2.4265 -2.4265 -2.4253 -2.4253 -1.2242 -1.2242 -1.2198 -1.2198 3.1819 3.1819 3.2102 3.2102 4.4615 4.4615 4.4737 4.4737 6.4055 6.4055 6.4703 6.4703 6.8611 6.8611 7.0383 7.0383 7.5554 7.5554 7.5965 7.5965 8.2962 8.2962 8.3319 8.3319 8.6731 8.6731 8.7073 8.7073 9.0946 9.0946 9.1050 9.1050 10.2568 10.2568 10.2636 10.2636 11.2952 11.2952 11.4357 11.4357 k = 0.5000 0.2162 0.3074 ( 4572 PWs) bands (ev): -2.4045 -2.4045 -2.4032 -2.4032 -1.2457 -1.2457 -1.2415 -1.2415 3.1755 3.1755 3.2014 3.2014 4.3723 4.3723 4.3823 4.3823 6.4628 6.4628 6.5485 6.5485 6.8693 6.8693 7.0554 7.0554 7.5760 7.5760 7.6241 7.6241 8.3035 8.3035 8.3398 8.3398 8.7092 8.7092 8.7407 8.7407 9.0960 9.0960 9.1056 9.1056 10.3049 10.3049 10.3082 10.3082 11.2380 11.2380 11.3810 11.3810 k = 0.5000 0.2282 0.3074 ( 4580 PWs) bands (ev): -2.3821 -2.3821 -2.3809 -2.3809 -1.2677 -1.2677 -1.2637 -1.2637 3.1735 3.1735 3.1973 3.1973 4.2851 4.2851 4.2932 4.2932 6.5146 6.5146 6.6196 6.6196 6.8794 6.8794 7.0727 7.0727 7.5978 7.5978 7.6525 7.6525 8.3079 8.3079 8.3450 8.3450 8.7455 8.7455 8.7738 8.7738 9.0975 9.0975 9.1062 9.1062 10.3539 10.3539 10.3542 10.3542 11.1805 11.1805 11.3232 11.3232 k = 0.5000 0.2403 0.3074 ( 4580 PWs) bands (ev): -2.3598 -2.3598 -2.3586 -2.3586 -1.2897 -1.2897 -1.2860 -1.2860 3.1761 3.1761 3.1979 3.1979 4.2003 4.2003 4.2066 4.2066 6.5607 6.5607 6.6804 6.6804 6.8941 6.8941 7.0901 7.0901 7.6207 7.6207 7.6815 7.6815 8.3098 8.3098 8.3477 8.3477 8.7816 8.7816 8.8064 8.8064 9.0990 9.0990 9.1069 9.1069 10.4007 10.4007 10.4030 10.4030 11.1255 11.1255 11.2668 11.2668 k = 0.5000 0.2523 0.3074 ( 4588 PWs) bands (ev): -2.3378 -2.3378 -2.3366 -2.3366 -1.3116 -1.3116 -1.3082 -1.3082 3.1833 3.1833 3.2031 3.2031 4.1181 4.1181 4.1228 4.1228 6.6008 6.6008 6.7273 6.7273 6.9164 6.9164 7.1073 7.1073 7.6447 7.6447 7.7107 7.7107 8.3093 8.3093 8.3479 8.3479 8.8170 8.8170 8.8381 8.8381 9.1006 9.1006 9.1077 9.1077 10.4465 10.4465 10.4508 10.4508 11.0757 11.0757 11.2149 11.2149 k = 0.5000 0.2643 0.3074 ( 4576 PWs) bands (ev): -2.3164 -2.3164 -2.3152 -2.3152 -1.3331 -1.3331 -1.3299 -1.3299 3.1950 3.1950 3.2130 3.2130 4.0389 4.0389 4.0422 4.0422 6.6353 6.6353 6.7585 6.7585 6.9477 6.9477 7.1240 7.1240 7.6698 7.6698 7.7394 7.7394 8.3070 8.3070 8.3459 8.3459 8.8513 8.8513 8.8687 8.8687 9.1023 9.1023 9.1085 9.1085 10.4894 10.4894 10.4952 10.4952 11.0342 11.0342 11.1707 11.1707 k = 0.5000 0.2763 0.3074 ( 4576 PWs) bands (ev): -2.2959 -2.2959 -2.2949 -2.2949 -1.3536 -1.3536 -1.3508 -1.3508 3.2110 3.2110 3.2273 3.2273 3.9630 3.9630 3.9650 3.9650 6.6645 6.6645 6.7763 6.7763 6.9852 6.9852 7.1395 7.1395 7.6956 7.6956 7.7669 7.7669 8.3031 8.3031 8.3418 8.3418 8.8839 8.8839 8.8976 8.8976 9.1041 9.1041 9.1095 9.1095 10.5267 10.5267 10.5336 10.5336 11.0047 11.0047 11.1375 11.1375 k = 0.5000 0.2883 0.3074 ( 4580 PWs) bands (ev): -2.2768 -2.2768 -2.2758 -2.2758 -1.3728 -1.3728 -1.3703 -1.3703 3.2311 3.2311 3.2458 3.2458 3.8909 3.8909 3.8916 3.8916 6.6892 6.6892 6.7853 6.7853 7.0242 7.0242 7.1533 7.1533 7.7219 7.7219 7.7923 7.7923 8.2981 8.2981 8.3359 8.3359 8.9140 8.9140 8.9245 8.9245 9.1060 9.1060 9.1105 9.1105 10.5548 10.5548 10.5630 10.5630 10.9911 10.9911 11.1186 11.1186 k = 0.5000 0.3003 0.3074 ( 4576 PWs) bands (ev): -2.2595 -2.2595 -2.2586 -2.2586 -1.3901 -1.3901 -1.3880 -1.3880 3.2550 3.2550 3.2680 3.2680 3.8226 3.8226 3.8230 3.8230 6.7098 6.7098 6.7890 6.7890 7.0609 7.0609 7.1649 7.1649 7.7482 7.7482 7.8148 7.8148 8.2930 8.2930 8.3285 8.3285 8.9411 8.9411 8.9486 8.9486 9.1081 9.1081 9.1117 9.1117 10.5716 10.5716 10.5815 10.5815 10.9962 10.9962 11.1160 11.1160 k = 0.5000 0.3123 0.3074 ( 4576 PWs) bands (ev): -2.2445 -2.2445 -2.2437 -2.2437 -1.4052 -1.4052 -1.4035 -1.4035 3.2820 3.2820 3.2933 3.2933 3.7587 3.7587 3.7600 3.7600 6.7270 6.7270 6.7893 6.7893 7.0935 7.0935 7.1736 7.1736 7.7738 7.7738 7.8331 7.8331 8.2883 8.2883 8.3201 8.3201 8.9642 8.9642 8.9694 8.9694 9.1103 9.1103 9.1131 9.1131 10.5778 10.5778 10.5890 10.5890 11.0192 11.0192 11.1292 11.1292 k = 0.5000 0.3244 0.3074 ( 4576 PWs) bands (ev): -2.2321 -2.2321 -2.2315 -2.2315 -1.4176 -1.4176 -1.4163 -1.4163 3.3109 3.3109 3.3203 3.3203 3.7014 3.7014 3.7034 3.7034 6.7414 6.7414 6.7873 6.7873 7.1209 7.1209 7.1790 7.1790 7.7976 7.7976 7.8462 7.8462 8.2849 8.2849 8.3113 8.3113 8.9828 8.9828 8.9861 8.9861 9.1125 9.1125 9.1145 9.1145 10.5773 10.5773 10.5882 10.5882 11.0558 11.0558 11.1532 11.1532 k = 0.5000 0.3364 0.3074 ( 4576 PWs) bands (ev): -2.2229 -2.2229 -2.2225 -2.2225 -1.4267 -1.4267 -1.4258 -1.4258 3.3393 3.3393 3.3465 3.3465 3.6532 3.6532 3.6555 3.6555 6.7534 6.7534 6.7836 6.7836 7.1430 7.1430 7.1807 7.1807 7.8187 7.8187 7.8533 7.8533 8.2836 8.2836 8.3026 8.3026 8.9963 8.9963 8.9982 8.9982 9.1146 9.1146 9.1158 9.1158 10.5743 10.5743 10.5831 10.5831 11.1000 11.1000 11.1788 11.1788 k = 0.5000 0.3484 0.3074 ( 4572 PWs) bands (ev): -2.2172 -2.2172 -2.2170 -2.2170 -1.4322 -1.4322 -1.4318 -1.4318 3.3627 3.3627 3.3667 3.3667 3.6193 3.6193 3.6209 3.6209 6.7634 6.7634 6.7784 6.7784 7.1597 7.1597 7.1783 7.1783 7.8358 7.8358 7.8538 7.8538 8.2848 8.2848 8.2948 8.2948 9.0046 9.0046 9.0055 9.0055 9.1161 9.1161 9.1166 9.1166 10.5724 10.5724 10.5773 10.5773 11.1445 11.1445 11.1917 11.1917 k = 0.5000 0.3604 0.3074 ( 4576 PWs) bands (ev): -2.2152 -2.2152 -2.2152 -2.2152 -1.4339 -1.4339 -1.4339 -1.4339 3.3735 3.3735 3.3735 3.3735 3.6071 3.6071 3.6071 3.6071 6.7717 6.7717 6.7717 6.7717 7.1714 7.1714 7.1714 7.1714 7.8478 7.8478 7.8478 7.8478 8.2887 8.2887 8.2887 8.2887 9.0076 9.0076 9.0076 9.0076 9.1168 9.1168 9.1168 9.1168 10.5733 10.5733 10.5733 10.5733 11.1792 11.1792 11.1792 11.1792 k = 0.5000 0.3604 0.3074 ( 4576 PWs) bands (ev): -2.2152 -2.2152 -2.2152 -2.2152 -1.4339 -1.4339 -1.4339 -1.4339 3.3735 3.3735 3.3735 3.3735 3.6071 3.6071 3.6071 3.6071 6.7717 6.7717 6.7717 6.7717 7.1714 7.1714 7.1714 7.1714 7.8478 7.8478 7.8478 7.8478 8.2887 8.2887 8.2887 8.2887 9.0076 9.0076 9.0076 9.0076 9.1168 9.1168 9.1168 9.1168 10.5733 10.5733 10.5733 10.5733 11.1792 11.1792 11.1792 11.1792 k = 0.4878 0.3604 0.3074 ( 4576 PWs) bands (ev): -2.2162 -2.2162 -2.2162 -2.2162 -1.4357 -1.4357 -1.4357 -1.4357 3.3768 3.3768 3.3768 3.3768 3.6098 3.6098 3.6098 3.6098 6.7711 6.7711 6.7711 6.7711 7.1724 7.1724 7.1724 7.1724 7.8467 7.8467 7.8467 7.8467 8.2884 8.2884 8.2884 8.2884 9.0073 9.0073 9.0073 9.0073 9.1164 9.1164 9.1164 9.1164 10.5731 10.5731 10.5731 10.5732 11.1814 11.1814 11.1814 11.1814 k = 0.4756 0.3604 0.3074 ( 4572 PWs) bands (ev): -2.2192 -2.2192 -2.2192 -2.2192 -1.4410 -1.4410 -1.4410 -1.4410 3.3865 3.3865 3.3865 3.3865 3.6177 3.6177 3.6177 3.6177 6.7692 6.7692 6.7692 6.7692 7.1753 7.1753 7.1753 7.1753 7.8434 7.8434 7.8434 7.8434 8.2875 8.2875 8.2875 8.2875 9.0064 9.0064 9.0064 9.0064 9.1154 9.1154 9.1154 9.1154 10.5727 10.5727 10.5727 10.5727 11.1878 11.1878 11.1878 11.1878 k = 0.4634 0.3604 0.3074 ( 4584 PWs) bands (ev): -2.2241 -2.2241 -2.2241 -2.2241 -1.4497 -1.4497 -1.4497 -1.4497 3.4027 3.4027 3.4027 3.4027 3.6309 3.6309 3.6309 3.6309 6.7662 6.7662 6.7662 6.7662 7.1801 7.1801 7.1801 7.1801 7.8380 7.8380 7.8380 7.8380 8.2859 8.2859 8.2859 8.2859 9.0048 9.0048 9.0048 9.0048 9.1136 9.1136 9.1136 9.1136 10.5720 10.5720 10.5720 10.5720 11.1981 11.1981 11.1981 11.1981 k = 0.4512 0.3604 0.3074 ( 4584 PWs) bands (ev): -2.2310 -2.2310 -2.2310 -2.2310 -1.4617 -1.4617 -1.4617 -1.4617 3.4251 3.4251 3.4251 3.4251 3.6493 3.6493 3.6493 3.6493 6.7622 6.7622 6.7622 6.7622 7.1870 7.1870 7.1870 7.1870 7.8304 7.8304 7.8304 7.8304 8.2836 8.2836 8.2836 8.2836 9.0028 9.0028 9.0028 9.0028 9.1113 9.1113 9.1113 9.1113 10.5710 10.5710 10.5710 10.5710 11.2120 11.2120 11.2120 11.2121 k = 0.4390 0.3604 0.3074 ( 4580 PWs) bands (ev): -2.2397 -2.2397 -2.2397 -2.2397 -1.4768 -1.4768 -1.4768 -1.4768 3.4534 3.4534 3.4534 3.4534 3.6727 3.6727 3.6727 3.6727 6.7574 6.7574 6.7574 6.7574 7.1958 7.1958 7.1958 7.1958 7.8208 7.8208 7.8208 7.8208 8.2805 8.2805 8.2805 8.2805 9.0003 9.0003 9.0003 9.0003 9.1084 9.1084 9.1084 9.1084 10.5698 10.5698 10.5698 10.5698 11.2289 11.2289 11.2289 11.2289 k = 0.4268 0.3604 0.3074 ( 4584 PWs) bands (ev): -2.2501 -2.2501 -2.2501 -2.2501 -1.4950 -1.4950 -1.4950 -1.4950 3.4874 3.4874 3.4874 3.4874 3.7011 3.7011 3.7011 3.7011 6.7520 6.7520 6.7520 6.7520 7.2066 7.2066 7.2066 7.2066 7.8092 7.8092 7.8092 7.8092 8.2767 8.2767 8.2767 8.2767 8.9974 8.9974 8.9974 8.9974 9.1051 9.1051 9.1051 9.1051 10.5684 10.5684 10.5684 10.5684 11.2477 11.2477 11.2477 11.2477 k = 0.4146 0.3604 0.3074 ( 4584 PWs) bands (ev): -2.2622 -2.2622 -2.2622 -2.2622 -1.5159 -1.5159 -1.5159 -1.5159 3.5266 3.5266 3.5266 3.5266 3.7342 3.7342 3.7342 3.7342 6.7464 6.7464 6.7464 6.7464 7.2192 7.2192 7.2192 7.2192 7.7958 7.7958 7.7958 7.7958 8.2720 8.2720 8.2720 8.2720 8.9943 8.9943 8.9943 8.9943 9.1014 9.1014 9.1014 9.1014 10.5669 10.5669 10.5669 10.5669 11.2665 11.2665 11.2665 11.2665 k = 0.4024 0.3604 0.3074 ( 4580 PWs) bands (ev): -2.2759 -2.2759 -2.2759 -2.2759 -1.5393 -1.5393 -1.5393 -1.5393 3.5705 3.5705 3.5705 3.5705 3.7720 3.7720 3.7720 3.7720 6.7408 6.7408 6.7408 6.7408 7.2337 7.2337 7.2337 7.2337 7.7807 7.7807 7.7807 7.7807 8.2663 8.2663 8.2663 8.2663 8.9910 8.9910 8.9910 8.9910 9.0975 9.0975 9.0975 9.0975 10.5652 10.5652 10.5652 10.5652 11.2823 11.2823 11.2823 11.2823 k = 0.3902 0.3604 0.3074 ( 4576 PWs) bands (ev): -2.2910 -2.2910 -2.2910 -2.2910 -1.5651 -1.5651 -1.5651 -1.5651 3.6188 3.6188 3.6188 3.6188 3.8142 3.8142 3.8142 3.8142 6.7357 6.7357 6.7357 6.7357 7.2499 7.2499 7.2499 7.2499 7.7642 7.7642 7.7642 7.7642 8.2596 8.2596 8.2596 8.2596 8.9875 8.9875 8.9875 8.9875 9.0934 9.0934 9.0934 9.0934 10.5634 10.5634 10.5634 10.5634 11.2906 11.2906 11.2906 11.2906 k = 0.3780 0.3604 0.3074 ( 4568 PWs) bands (ev): -2.3074 -2.3074 -2.3074 -2.3074 -1.5928 -1.5928 -1.5928 -1.5928 3.6707 3.6707 3.6707 3.6707 3.8606 3.8606 3.8606 3.8606 6.7316 6.7316 6.7316 6.7316 7.2675 7.2675 7.2675 7.2675 7.7466 7.7466 7.7466 7.7466 8.2519 8.2519 8.2519 8.2519 8.9841 8.9841 8.9841 8.9841 9.0892 9.0892 9.0892 9.0892 10.5614 10.5614 10.5614 10.5614 11.2882 11.2882 11.2882 11.2882 k = 0.3659 0.3604 0.3074 ( 4568 PWs) bands (ev): -2.3250 -2.3250 -2.3250 -2.3250 -1.6222 -1.6222 -1.6222 -1.6222 3.7258 3.7258 3.7258 3.7258 3.9110 3.9110 3.9110 3.9110 6.7289 6.7289 6.7289 6.7289 7.2861 7.2861 7.2861 7.2861 7.7284 7.7284 7.7284 7.7284 8.2432 8.2432 8.2432 8.2432 8.9807 8.9807 8.9807 8.9807 9.0849 9.0849 9.0849 9.0849 10.5593 10.5593 10.5593 10.5593 11.2761 11.2761 11.2761 11.2761 k = 0.3537 0.3604 0.3074 ( 4568 PWs) bands (ev): -2.3436 -2.3436 -2.3436 -2.3436 -1.6532 -1.6532 -1.6532 -1.6532 3.7834 3.7834 3.7834 3.7834 3.9651 3.9651 3.9651 3.9651 6.7280 6.7280 6.7280 6.7280 7.3053 7.3053 7.3053 7.3053 7.7101 7.7101 7.7101 7.7101 8.2335 8.2335 8.2335 8.2335 8.9774 8.9774 8.9774 8.9774 9.0807 9.0807 9.0807 9.0807 10.5570 10.5570 10.5570 10.5570 11.2574 11.2574 11.2574 11.2574 k = 0.3415 0.3604 0.3074 ( 4572 PWs) bands (ev): -2.3631 -2.3631 -2.3631 -2.3631 -1.6853 -1.6853 -1.6853 -1.6853 3.8428 3.8428 3.8428 3.8428 4.0227 4.0227 4.0227 4.0227 6.7297 6.7297 6.7297 6.7297 7.3241 7.3241 7.3241 7.3241 7.6928 7.6928 7.6928 7.6928 8.2228 8.2228 8.2228 8.2228 8.9743 8.9743 8.9743 8.9743 9.0764 9.0764 9.0764 9.0764 10.5545 10.5545 10.5545 10.5545 11.2346 11.2346 11.2346 11.2346 k = 0.3293 0.3604 0.3074 ( 4576 PWs) bands (ev): -2.3833 -2.3833 -2.3833 -2.3833 -1.7184 -1.7184 -1.7184 -1.7184 3.9033 3.9033 3.9033 3.9033 4.0835 4.0835 4.0835 4.0835 6.7343 6.7343 6.7343 6.7343 7.3414 7.3414 7.3414 7.3414 7.6777 7.6777 7.6777 7.6777 8.2112 8.2112 8.2112 8.2112 8.9714 8.9714 8.9714 8.9714 9.0722 9.0722 9.0722 9.0722 10.5517 10.5517 10.5517 10.5517 11.2094 11.2094 11.2094 11.2094 k = 0.3171 0.3604 0.3074 ( 4572 PWs) bands (ev): -2.4041 -2.4041 -2.4041 -2.4041 -1.7521 -1.7521 -1.7521 -1.7521 3.9643 3.9643 3.9643 3.9643 4.1471 4.1471 4.1471 4.1471 6.7425 6.7425 6.7425 6.7425 7.3555 7.3555 7.3555 7.3555 7.6667 7.6667 7.6667 7.6667 8.1988 8.1988 8.1988 8.1988 8.9687 8.9687 8.9687 8.9687 9.0681 9.0681 9.0681 9.0681 10.5485 10.5485 10.5485 10.5485 11.1828 11.1828 11.1828 11.1828 k = 0.3049 0.3604 0.3074 ( 4564 PWs) bands (ev): -2.4253 -2.4253 -2.4253 -2.4253 -1.7863 -1.7863 -1.7863 -1.7863 4.0251 4.0251 4.0251 4.0251 4.2133 4.2133 4.2133 4.2133 6.7547 6.7547 6.7547 6.7547 7.3642 7.3642 7.3642 7.3642 7.6619 7.6619 7.6619 7.6619 8.1858 8.1858 8.1858 8.1858 8.9662 8.9662 8.9662 8.9662 9.0641 9.0641 9.0641 9.0641 10.5450 10.5450 10.5450 10.5450 11.1557 11.1557 11.1557 11.1557 k = 0.2927 0.3604 0.3074 ( 4580 PWs) bands (ev): -2.4469 -2.4469 -2.4469 -2.4469 -1.8207 -1.8207 -1.8207 -1.8207 4.0849 4.0849 4.0849 4.0849 4.2818 4.2818 4.2818 4.2818 6.7714 6.7714 6.7714 6.7714 7.3656 7.3656 7.3656 7.3656 7.6654 7.6654 7.6654 7.6654 8.1720 8.1720 8.1720 8.1720 8.9637 8.9637 8.9637 8.9637 9.0600 9.0600 9.0600 9.0600 10.5409 10.5409 10.5409 10.5409 11.1286 11.1286 11.1286 11.1286 k = 0.2805 0.3604 0.3074 ( 4580 PWs) bands (ev): -2.4686 -2.4686 -2.4686 -2.4686 -1.8551 -1.8551 -1.8551 -1.8551 4.1431 4.1431 4.1431 4.1431 4.3522 4.3522 4.3522 4.3522 6.7929 6.7929 6.7929 6.7929 7.3592 7.3592 7.3592 7.3592 7.6780 7.6780 7.6780 7.6780 8.1579 8.1579 8.1579 8.1579 8.9614 8.9614 8.9614 8.9614 9.0560 9.0560 9.0560 9.0560 10.5364 10.5364 10.5364 10.5364 11.1024 11.1024 11.1024 11.1024 k = 0.2683 0.3604 0.3074 ( 4584 PWs) bands (ev): -2.4903 -2.4903 -2.4903 -2.4903 -1.8892 -1.8892 -1.8892 -1.8892 4.1991 4.1991 4.1991 4.1991 4.4241 4.4241 4.4241 4.4241 6.8194 6.8194 6.8194 6.8194 7.3456 7.3456 7.3456 7.3456 7.6991 7.6991 7.6991 7.6991 8.1435 8.1435 8.1435 8.1435 8.9592 8.9592 8.9592 8.9592 9.0519 9.0519 9.0519 9.0519 10.5313 10.5313 10.5313 10.5313 11.0774 11.0774 11.0774 11.0774 k = 0.2561 0.3604 0.3074 ( 4596 PWs) bands (ev): -2.5119 -2.5119 -2.5119 -2.5119 -1.9230 -1.9230 -1.9230 -1.9230 4.2524 4.2524 4.2524 4.2524 4.4973 4.4973 4.4973 4.4973 6.8509 6.8509 6.8509 6.8509 7.3267 7.3267 7.3267 7.3267 7.7273 7.7273 7.7273 7.7273 8.1290 8.1290 8.1290 8.1290 8.9568 8.9568 8.9568 8.9568 9.0476 9.0476 9.0476 9.0476 10.5255 10.5255 10.5255 10.5255 11.0543 11.0543 11.0543 11.0543 k = 0.2439 0.3604 0.3074 ( 4592 PWs) bands (ev): -2.5333 -2.5333 -2.5333 -2.5333 -1.9562 -1.9562 -1.9562 -1.9562 4.3025 4.3025 4.3025 4.3025 4.5714 4.5714 4.5714 4.5714 6.8869 6.8869 6.8869 6.8869 7.3048 7.3048 7.3048 7.3048 7.7609 7.7609 7.7609 7.7609 8.1147 8.1147 8.1147 8.1147 8.9544 8.9544 8.9544 8.9544 9.0432 9.0432 9.0432 9.0432 10.5190 10.5190 10.5190 10.5190 11.0336 11.0336 11.0336 11.0336 k = 0.2317 0.3604 0.3074 ( 4600 PWs) bands (ev): -2.5544 -2.5544 -2.5544 -2.5544 -1.9887 -1.9887 -1.9887 -1.9887 4.3489 4.3489 4.3489 4.3489 4.6461 4.6461 4.6461 4.6461 6.9260 6.9260 6.9260 6.9260 7.2826 7.2826 7.2826 7.2826 7.7982 7.7982 7.7982 7.7982 8.1009 8.1009 8.1009 8.1009 8.9516 8.9516 8.9516 8.9516 9.0385 9.0385 9.0385 9.0385 10.5117 10.5117 10.5117 10.5117 11.0158 11.0158 11.0158 11.0158 k = 0.2195 0.3604 0.3074 ( 4592 PWs) bands (ev): -2.5750 -2.5750 -2.5750 -2.5750 -2.0203 -2.0203 -2.0203 -2.0203 4.3915 4.3915 4.3915 4.3915 4.7210 4.7210 4.7210 4.7210 6.9653 6.9653 6.9653 6.9653 7.2639 7.2639 7.2639 7.2639 7.8382 7.8382 7.8382 7.8382 8.0880 8.0880 8.0880 8.0880 8.9485 8.9485 8.9485 8.9485 9.0336 9.0336 9.0336 9.0336 10.5037 10.5037 10.5037 10.5037 11.0014 11.0014 11.0014 11.0014 k = 0.2073 0.3604 0.3074 ( 4588 PWs) bands (ev): -2.5951 -2.5951 -2.5951 -2.5951 -2.0509 -2.0509 -2.0509 -2.0509 4.4300 4.4300 4.4300 4.4300 4.7960 4.7960 4.7960 4.7960 6.9990 6.9990 6.9990 6.9990 7.2550 7.2550 7.2550 7.2550 7.8792 7.8792 7.8792 7.8792 8.0768 8.0768 8.0768 8.0768 8.9447 8.9447 8.9447 8.9447 9.0284 9.0284 9.0284 9.0284 10.4947 10.4947 10.4947 10.4947 10.9908 10.9908 10.9908 10.9908 k = 0.1951 0.3604 0.3074 ( 4588 PWs) bands (ev): -2.6145 -2.6145 -2.6145 -2.6145 -2.0803 -2.0803 -2.0803 -2.0803 4.4644 4.4644 4.4644 4.4644 4.8707 4.8707 4.8707 4.8707 7.0179 7.0179 7.0179 7.0179 7.2652 7.2652 7.2652 7.2652 7.9193 7.9193 7.9193 7.9193 8.0690 8.0690 8.0690 8.0690 8.9402 8.9402 8.9402 8.9402 9.0227 9.0227 9.0227 9.0227 10.4847 10.4847 10.4847 10.4847 10.9846 10.9846 10.9846 10.9846 k = 0.1829 0.3604 0.3074 ( 4596 PWs) bands (ev): -2.6331 -2.6331 -2.6331 -2.6331 -2.1084 -2.1084 -2.1084 -2.1084 4.4948 4.4948 4.4948 4.4948 4.9447 4.9447 4.9447 4.9447 7.0164 7.0164 7.0164 7.0164 7.2998 7.2998 7.2998 7.2998 7.9540 7.9540 7.9540 7.9540 8.0687 8.0687 8.0687 8.0687 8.9348 8.9348 8.9348 8.9348 9.0167 9.0167 9.0167 9.0167 10.4737 10.4737 10.4737 10.4737 10.9829 10.9829 10.9829 10.9829 k = 0.1707 0.3604 0.3074 ( 4584 PWs) bands (ev): -2.6510 -2.6510 -2.6510 -2.6510 -2.1352 -2.1352 -2.1352 -2.1352 4.5214 4.5214 4.5214 4.5214 5.0178 5.0178 5.0178 5.0178 6.9985 6.9985 6.9985 6.9985 7.3544 7.3544 7.3544 7.3544 7.9761 7.9761 7.9761 7.9761 8.0829 8.0829 8.0829 8.0829 8.9282 8.9282 8.9282 8.9282 9.0103 9.0103 9.0103 9.0103 10.4616 10.4616 10.4616 10.4616 10.9861 10.9861 10.9861 10.9861 k = 0.1585 0.3604 0.3074 ( 4576 PWs) bands (ev): -2.6679 -2.6679 -2.6679 -2.6679 -2.1605 -2.1605 -2.1605 -2.1605 4.5443 4.5443 4.5443 4.5443 5.0897 5.0897 5.0897 5.0897 6.9711 6.9711 6.9711 6.9711 7.4213 7.4213 7.4213 7.4213 7.9832 7.9832 7.9832 7.9832 8.1140 8.1140 8.1140 8.1140 8.9203 8.9203 8.9203 8.9203 9.0036 9.0036 9.0036 9.0036 10.4484 10.4484 10.4484 10.4484 10.9944 10.9944 10.9944 10.9944 k = 0.1463 0.3604 0.3074 ( 4564 PWs) bands (ev): -2.6839 -2.6839 -2.6839 -2.6839 -2.1842 -2.1842 -2.1842 -2.1842 4.5638 4.5638 4.5638 4.5638 5.1600 5.1600 5.1600 5.1600 6.9385 6.9385 6.9385 6.9385 7.4952 7.4952 7.4952 7.4952 7.9824 7.9824 7.9824 7.9824 8.1549 8.1549 8.1549 8.1549 8.9108 8.9108 8.9108 8.9108 8.9965 8.9965 8.9965 8.9965 10.4339 10.4339 10.4339 10.4339 11.0077 11.0077 11.0077 11.0077 k = 0.1341 0.3604 0.3074 ( 4568 PWs) bands (ev): -2.6988 -2.6988 -2.6988 -2.6988 -2.2063 -2.2063 -2.2063 -2.2063 4.5803 4.5803 4.5803 4.5803 5.2283 5.2283 5.2283 5.2283 6.9033 6.9033 6.9033 6.9033 7.5720 7.5720 7.5720 7.5720 7.9800 7.9800 7.9800 7.9800 8.1998 8.1998 8.1998 8.1998 8.8997 8.8997 8.8997 8.8997 8.9890 8.9890 8.9890 8.9890 10.4182 10.4182 10.4182 10.4182 11.0260 11.0260 11.0260 11.0260 k = 0.1220 0.3604 0.3074 ( 4568 PWs) bands (ev): -2.7126 -2.7126 -2.7126 -2.7126 -2.2267 -2.2267 -2.2267 -2.2267 4.5941 4.5941 4.5941 4.5941 5.2943 5.2943 5.2943 5.2943 6.8668 6.8668 6.8668 6.8668 7.6483 7.6483 7.6483 7.6483 7.9796 7.9796 7.9796 7.9796 8.2461 8.2461 8.2461 8.2461 8.8869 8.8869 8.8869 8.8869 8.9811 8.9811 8.9811 8.9811 10.4013 10.4013 10.4013 10.4013 11.0489 11.0489 11.0489 11.0489 k = 0.1098 0.3604 0.3074 ( 4572 PWs) bands (ev): -2.7253 -2.7253 -2.7253 -2.7253 -2.2454 -2.2454 -2.2454 -2.2454 4.6055 4.6055 4.6055 4.6055 5.3576 5.3576 5.3576 5.3576 6.8298 6.8298 6.8298 6.8298 7.7197 7.7197 7.7197 7.7197 7.9847 7.9847 7.9847 7.9847 8.2925 8.2925 8.2925 8.2925 8.8725 8.8725 8.8725 8.8725 8.9727 8.9727 8.9727 8.9727 10.3834 10.3834 10.3834 10.3834 11.0759 11.0759 11.0759 11.0759 k = 0.0976 0.3604 0.3074 ( 4560 PWs) bands (ev): -2.7367 -2.7367 -2.7367 -2.7367 -2.2622 -2.2622 -2.2622 -2.2622 4.6148 4.6148 4.6148 4.6148 5.4176 5.4176 5.4176 5.4176 6.7933 6.7933 6.7933 6.7933 7.7797 7.7797 7.7797 7.7797 8.0007 8.0007 8.0007 8.0007 8.3384 8.3384 8.3384 8.3384 8.8568 8.8568 8.8568 8.8568 8.9637 8.9637 8.9637 8.9637 10.3647 10.3647 10.3647 10.3647 11.1063 11.1063 11.1063 11.1063 k = 0.0854 0.3604 0.3074 ( 4572 PWs) bands (ev): -2.7469 -2.7469 -2.7469 -2.7469 -2.2772 -2.2772 -2.2772 -2.2772 4.6223 4.6223 4.6223 4.6223 5.4738 5.4738 5.4738 5.4738 6.7577 6.7577 6.7577 6.7577 7.8216 7.8216 7.8216 7.8216 8.0327 8.0327 8.0327 8.0327 8.3828 8.3828 8.3828 8.3828 8.8399 8.8399 8.8399 8.8399 8.9538 8.9538 8.9538 8.9538 10.3456 10.3456 10.3456 10.3456 11.1387 11.1387 11.1387 11.1387 k = 0.0732 0.3604 0.3074 ( 4572 PWs) bands (ev): -2.7558 -2.7558 -2.7558 -2.7558 -2.2902 -2.2902 -2.2902 -2.2902 4.6282 4.6282 4.6282 4.6282 5.5255 5.5255 5.5255 5.5255 6.7240 6.7240 6.7240 6.7240 7.8447 7.8447 7.8447 7.8447 8.0801 8.0801 8.0801 8.0801 8.4251 8.4251 8.4251 8.4251 8.8226 8.8226 8.8226 8.8226 8.9430 8.9430 8.9430 8.9430 10.3266 10.3266 10.3266 10.3266 11.1720 11.1720 11.1720 11.1720 k = 0.0610 0.3604 0.3074 ( 4580 PWs) bands (ev): -2.7634 -2.7634 -2.7634 -2.7634 -2.3013 -2.3013 -2.3013 -2.3013 4.6329 4.6329 4.6329 4.6329 5.5718 5.5718 5.5718 5.5718 6.6929 6.6929 6.6929 6.6929 7.8554 7.8554 7.8554 7.8554 8.1348 8.1348 8.1348 8.1348 8.4643 8.4643 8.4643 8.4643 8.8058 8.8058 8.8058 8.8058 8.9311 8.9311 8.9311 8.9311 10.3083 10.3083 10.3083 10.3083 11.2045 11.2045 11.2045 11.2045 k = 0.0488 0.3604 0.3074 ( 4588 PWs) bands (ev): -2.7697 -2.7697 -2.7697 -2.7697 -2.3104 -2.3104 -2.3104 -2.3104 4.6364 4.6364 4.6364 4.6364 5.6118 5.6118 5.6118 5.6118 6.6653 6.6653 6.6653 6.6653 7.8599 7.8599 7.8599 7.8599 8.1889 8.1889 8.1889 8.1889 8.4988 8.4988 8.4988 8.4988 8.7906 8.7906 8.7906 8.7906 8.9184 8.9184 8.9184 8.9184 10.2916 10.2916 10.2916 10.2916 11.2344 11.2344 11.2344 11.2344 k = 0.0366 0.3604 0.3074 ( 4588 PWs) bands (ev): -2.7746 -2.7746 -2.7746 -2.7746 -2.3175 -2.3175 -2.3175 -2.3175 4.6390 4.6390 4.6390 4.6390 5.6446 5.6446 5.6446 5.6446 6.6422 6.6422 6.6422 6.6422 7.8615 7.8615 7.8615 7.8615 8.2371 8.2371 8.2371 8.2371 8.5268 8.5268 8.5268 8.5268 8.7788 8.7788 8.7788 8.7788 8.9053 8.9053 8.9053 8.9053 10.2774 10.2774 10.2774 10.2774 11.2601 11.2601 11.2601 11.2601 k = 0.0244 0.3604 0.3074 ( 4584 PWs) bands (ev): -2.7781 -2.7781 -2.7781 -2.7781 -2.3226 -2.3226 -2.3226 -2.3226 4.6408 4.6408 4.6408 4.6408 5.6690 5.6690 5.6690 5.6690 6.6248 6.6248 6.6248 6.6248 7.8619 7.8619 7.8619 7.8619 8.2754 8.2754 8.2754 8.2754 8.5467 8.5467 8.5467 8.5467 8.7715 8.7715 8.7715 8.7715 8.8931 8.8931 8.8931 8.8931 10.2665 10.2665 10.2665 10.2665 11.2798 11.2798 11.2798 11.2798 k = 0.0122 0.3604 0.3074 ( 4576 PWs) bands (ev): -2.7802 -2.7802 -2.7802 -2.7802 -2.3257 -2.3257 -2.3257 -2.3257 4.6418 4.6418 4.6418 4.6418 5.6841 5.6841 5.6841 5.6841 6.6139 6.6139 6.6139 6.6139 7.8619 7.8619 7.8619 7.8619 8.3003 8.3003 8.3003 8.3003 8.5578 8.5578 8.5578 8.5578 8.7687 8.7687 8.7687 8.7687 8.8839 8.8839 8.8839 8.8839 10.2596 10.2596 10.2596 10.2596 11.2921 11.2921 11.2921 11.2921 k = 0.0000 0.3604 0.3074 ( 4580 PWs) bands (ev): -2.7809 -2.7809 -2.7809 -2.7809 -2.3267 -2.3267 -2.3267 -2.3267 4.6421 4.6421 4.6421 4.6421 5.6892 5.6892 5.6892 5.6892 6.6101 6.6101 6.6101 6.6101 7.8619 7.8619 7.8619 7.8619 8.3090 8.3090 8.3090 8.3090 8.5612 8.5612 8.5612 8.5612 8.7682 8.7682 8.7682 8.7682 8.8804 8.8804 8.8804 8.8804 10.2572 10.2572 10.2572 10.2572 11.2964 11.2964 11.2964 11.2964 k = 0.0000 0.3604 0.3074 ( 4580 PWs) bands (ev): -2.7809 -2.7809 -2.7809 -2.7809 -2.3267 -2.3267 -2.3267 -2.3267 4.6421 4.6421 4.6421 4.6421 5.6892 5.6892 5.6892 5.6892 6.6101 6.6101 6.6101 6.6101 7.8619 7.8619 7.8619 7.8619 8.3090 8.3090 8.3090 8.3090 8.5612 8.5612 8.5612 8.5612 8.7682 8.7682 8.7682 8.7682 8.8804 8.8804 8.8804 8.8804 10.2572 10.2572 10.2572 10.2572 11.2964 11.2964 11.2964 11.2964 k = 0.0000 0.3484 0.3074 ( 4580 PWs) bands (ev): -2.7898 -2.7898 -2.7898 -2.7898 -2.3163 -2.3163 -2.3163 -2.3163 4.6385 4.6385 4.6385 4.6385 5.6935 5.6935 5.6935 5.6935 6.6104 6.6104 6.6104 6.6104 7.8526 7.8526 7.8526 7.8526 8.3071 8.3071 8.3071 8.3071 8.5622 8.5622 8.5622 8.5622 8.7618 8.7618 8.7618 8.7618 8.8886 8.8886 8.8886 8.8886 10.2597 10.2597 10.2597 10.2597 11.2985 11.2985 11.2985 11.2985 k = 0.0000 0.3364 0.3074 ( 4574 PWs) bands (ev): -2.8145 -2.8145 -2.8145 -2.8145 -2.2872 -2.2872 -2.2872 -2.2872 4.6280 4.6280 4.6280 4.6280 5.7060 5.7060 5.7060 5.7060 6.6113 6.6113 6.6113 6.6113 7.8253 7.8253 7.8253 7.8253 8.3022 8.3022 8.3022 8.3022 8.5631 8.5631 8.5631 8.5631 8.7487 8.7487 8.7487 8.7487 8.9083 8.9083 8.9083 8.9083 10.2669 10.2669 10.2669 10.2669 11.3048 11.3048 11.3048 11.3048 k = 0.0000 0.3244 0.3074 ( 4574 PWs) bands (ev): -2.8502 -2.8502 -2.8502 -2.8502 -2.2441 -2.2441 -2.2441 -2.2441 4.6110 4.6110 4.6110 4.6110 5.7262 5.7262 5.7262 5.7262 6.6126 6.6126 6.6126 6.6126 7.7811 7.7811 7.7811 7.7811 8.2961 8.2961 8.2961 8.2961 8.5586 8.5586 8.5586 8.5586 8.7390 8.7390 8.7390 8.7390 8.9326 8.9326 8.9326 8.9326 10.2783 10.2783 10.2783 10.2783 11.3152 11.3152 11.3152 11.3152 k = 0.0000 0.3123 0.3074 ( 4574 PWs) bands (ev): -2.8925 -2.8925 -2.8925 -2.8925 -2.1914 -2.1914 -2.1914 -2.1914 4.5884 4.5884 4.5884 4.5884 5.7531 5.7531 5.7531 5.7531 6.6145 6.6145 6.6145 6.6145 7.7223 7.7223 7.7223 7.7223 8.2902 8.2902 8.2902 8.2902 8.5446 8.5446 8.5446 8.5446 8.7378 8.7378 8.7378 8.7378 8.9581 8.9581 8.9581 8.9581 10.2929 10.2929 10.2929 10.2929 11.3296 11.3296 11.3296 11.3296 k = 0.0000 0.3003 0.3074 ( 4578 PWs) bands (ev): -2.9385 -2.9385 -2.9385 -2.9385 -2.1323 -2.1323 -2.1323 -2.1323 4.5612 4.5612 4.5612 4.5612 5.7855 5.7855 5.7855 5.7855 6.6169 6.6169 6.6169 6.6169 7.6514 7.6514 7.6514 7.6514 8.2849 8.2849 8.2849 8.2849 8.5217 8.5217 8.5217 8.5217 8.7448 8.7448 8.7448 8.7448 8.9835 8.9835 8.9835 8.9835 10.3096 10.3096 10.3096 10.3096 11.3478 11.3478 11.3478 11.3478 k = 0.0000 0.2883 0.3074 ( 4574 PWs) bands (ev): -2.9862 -2.9862 -2.9862 -2.9862 -2.0688 -2.0688 -2.0688 -2.0688 4.5302 4.5302 4.5302 4.5302 5.8223 5.8223 5.8223 5.8223 6.6196 6.6196 6.6196 6.6196 7.5709 7.5709 7.5709 7.5709 8.2796 8.2796 8.2796 8.2796 8.4939 8.4939 8.4939 8.4939 8.7564 8.7564 8.7564 8.7564 9.0083 9.0083 9.0083 9.0083 10.3275 10.3275 10.3275 10.3275 11.3697 11.3697 11.3697 11.3697 k = 0.0000 0.2763 0.3074 ( 4578 PWs) bands (ev): -3.0342 -3.0342 -3.0342 -3.0342 -2.0023 -2.0023 -2.0023 -2.0023 4.4963 4.4963 4.4963 4.4963 5.8622 5.8622 5.8622 5.8622 6.6227 6.6227 6.6227 6.6227 7.4835 7.4835 7.4835 7.4835 8.2730 8.2730 8.2730 8.2730 8.4653 8.4653 8.4653 8.4653 8.7694 8.7694 8.7694 8.7694 9.0324 9.0324 9.0324 9.0324 10.3453 10.3453 10.3453 10.3453 11.3950 11.3950 11.3950 11.3950 k = 0.0000 0.2643 0.3074 ( 4584 PWs) bands (ev): -3.0819 -3.0819 -3.0819 -3.0819 -1.9335 -1.9335 -1.9335 -1.9335 4.4604 4.4604 4.4604 4.4604 5.9039 5.9039 5.9039 5.9039 6.6260 6.6260 6.6260 6.6260 7.3916 7.3916 7.3916 7.3916 8.2630 8.2630 8.2630 8.2630 8.4399 8.4399 8.4399 8.4399 8.7821 8.7821 8.7821 8.7821 9.0557 9.0557 9.0557 9.0557 10.3622 10.3622 10.3622 10.3622 11.4233 11.4233 11.4233 11.4233 k = 0.0000 0.2523 0.3074 ( 4588 PWs) bands (ev): -3.1288 -3.1288 -3.1288 -3.1288 -1.8633 -1.8633 -1.8633 -1.8633 4.4230 4.4230 4.4230 4.4230 5.9461 5.9461 5.9461 5.9461 6.6293 6.6293 6.6293 6.6293 7.2977 7.2977 7.2977 7.2977 8.2473 8.2473 8.2473 8.2473 8.4211 8.4211 8.4211 8.4211 8.7934 8.7934 8.7934 8.7934 9.0782 9.0782 9.0782 9.0782 10.3776 10.3776 10.3776 10.3776 11.4544 11.4544 11.4544 11.4544 k = 0.0000 0.2403 0.3074 ( 4588 PWs) bands (ev): -3.1743 -3.1743 -3.1743 -3.1743 -1.7921 -1.7921 -1.7921 -1.7921 4.3847 4.3847 4.3847 4.3847 5.9872 5.9872 5.9872 5.9872 6.6324 6.6324 6.6324 6.6324 7.2042 7.2042 7.2042 7.2042 8.2248 8.2248 8.2248 8.2248 8.4106 8.4106 8.4106 8.4106 8.8031 8.8031 8.8031 8.8031 9.0997 9.0997 9.0997 9.0997 10.3910 10.3910 10.3910 10.3910 11.4879 11.4879 11.4879 11.4879 k = 0.0000 0.2282 0.3074 ( 4586 PWs) bands (ev): -3.2184 -3.2184 -3.2184 -3.2184 -1.7204 -1.7204 -1.7204 -1.7204 4.3460 4.3460 4.3460 4.3460 6.0256 6.0256 6.0256 6.0256 6.6349 6.6349 6.6349 6.6349 7.1138 7.1138 7.1138 7.1138 8.1961 8.1961 8.1961 8.1961 8.4081 8.4081 8.4081 8.4081 8.8109 8.8109 8.8109 8.8109 9.1203 9.1203 9.1203 9.1203 10.4019 10.4019 10.4019 10.4019 11.5231 11.5231 11.5231 11.5231 k = 0.0000 0.2162 0.3074 ( 4602 PWs) bands (ev): -3.2608 -3.2608 -3.2608 -3.2608 -1.6486 -1.6486 -1.6486 -1.6486 4.3073 4.3073 4.3073 4.3073 6.0589 6.0589 6.0589 6.0589 6.6365 6.6365 6.6365 6.6365 7.0297 7.0297 7.0297 7.0297 8.1632 8.1632 8.1632 8.1632 8.4120 8.4120 8.4120 8.4120 8.8171 8.8171 8.8171 8.8171 9.1397 9.1397 9.1397 9.1397 10.4102 10.4102 10.4102 10.4102 11.5595 11.5595 11.5595 11.5595 k = 0.0000 0.2042 0.3074 ( 4598 PWs) bands (ev): -3.3014 -3.3014 -3.3014 -3.3014 -1.5771 -1.5771 -1.5771 -1.5771 4.2687 4.2687 4.2687 4.2687 6.0844 6.0844 6.0844 6.0844 6.6367 6.6367 6.6367 6.6367 6.9558 6.9558 6.9558 6.9558 8.1281 8.1281 8.1281 8.1281 8.4207 8.4207 8.4207 8.4207 8.8218 8.8218 8.8218 8.8218 9.1581 9.1581 9.1581 9.1581 10.4158 10.4158 10.4158 10.4158 11.5964 11.5964 11.5964 11.5964 k = 0.0000 0.1922 0.3074 ( 4592 PWs) bands (ev): -3.3399 -3.3399 -3.3399 -3.3399 -1.5063 -1.5063 -1.5063 -1.5063 4.2307 4.2307 4.2307 4.2307 6.0985 6.0985 6.0985 6.0985 6.6355 6.6355 6.6355 6.6355 6.8957 6.8957 6.8957 6.8957 8.0920 8.0920 8.0920 8.0920 8.4329 8.4329 8.4329 8.4329 8.8252 8.8252 8.8252 8.8252 9.1753 9.1753 9.1753 9.1753 10.4188 10.4188 10.4188 10.4188 11.6329 11.6329 11.6329 11.6329 k = 0.0000 0.1802 0.3074 ( 4590 PWs) bands (ev): -3.3765 -3.3765 -3.3765 -3.3765 -1.4364 -1.4364 -1.4364 -1.4364 4.1935 4.1935 4.1935 4.1935 6.0977 6.0977 6.0977 6.0977 6.6343 6.6343 6.6343 6.6343 6.8523 6.8523 6.8523 6.8523 8.0559 8.0559 8.0559 8.0559 8.4479 8.4479 8.4479 8.4479 8.8276 8.8276 8.8276 8.8276 9.1912 9.1912 9.1912 9.1912 10.4192 10.4192 10.4192 10.4192 11.6677 11.6677 11.6677 11.6677 k = 0.0000 0.1682 0.3074 ( 4586 PWs) bands (ev): -3.4109 -3.4109 -3.4109 -3.4109 -1.3681 -1.3681 -1.3681 -1.3681 4.1572 4.1572 4.1572 4.1572 6.0798 6.0798 6.0798 6.0798 6.6356 6.6356 6.6356 6.6356 6.8252 6.8252 6.8252 6.8252 8.0203 8.0203 8.0203 8.0203 8.4651 8.4651 8.4651 8.4651 8.8291 8.8291 8.8291 8.8291 9.2058 9.2058 9.2058 9.2058 10.4170 10.4170 10.4170 10.4170 11.6995 11.6995 11.6995 11.6995 k = 0.0000 0.1562 0.3074 ( 4588 PWs) bands (ev): -3.4432 -3.4432 -3.4432 -3.4432 -1.3016 -1.3016 -1.3016 -1.3016 4.1220 4.1220 4.1220 4.1220 6.0456 6.0456 6.0456 6.0456 6.6421 6.6421 6.6421 6.6421 6.8114 6.8114 6.8114 6.8114 7.9856 7.9856 7.9856 7.9856 8.4842 8.4842 8.4842 8.4842 8.8300 8.8300 8.8300 8.8300 9.2192 9.2192 9.2192 9.2192 10.4126 10.4126 10.4126 10.4126 11.7266 11.7266 11.7266 11.7266 k = 0.0000 0.1442 0.3074 ( 4588 PWs) bands (ev): -3.4732 -3.4732 -3.4732 -3.4732 -1.2373 -1.2373 -1.2373 -1.2373 4.0881 4.0881 4.0881 4.0881 5.9986 5.9986 5.9986 5.9986 6.6543 6.6543 6.6543 6.6543 6.8069 6.8069 6.8069 6.8069 7.9523 7.9523 7.9523 7.9523 8.5048 8.5048 8.5048 8.5048 8.8305 8.8305 8.8305 8.8305 9.2313 9.2313 9.2313 9.2313 10.4061 10.4061 10.4061 10.4061 11.7477 11.7477 11.7477 11.7477 k = 0.0000 0.1321 0.3074 ( 4586 PWs) bands (ev): -3.5009 -3.5009 -3.5009 -3.5009 -1.1758 -1.1758 -1.1758 -1.1758 4.0558 4.0558 4.0558 4.0558 5.9436 5.9436 5.9436 5.9436 6.6708 6.6708 6.6708 6.6708 6.8088 6.8088 6.8088 6.8088 7.9206 7.9206 7.9206 7.9206 8.5264 8.5264 8.5264 8.5264 8.8308 8.8308 8.8308 8.8308 9.2422 9.2422 9.2422 9.2422 10.3977 10.3977 10.3977 10.3977 11.7617 11.7617 11.7617 11.7617 k = 0.0000 0.1201 0.3074 ( 4582 PWs) bands (ev): -3.5263 -3.5263 -3.5263 -3.5263 -1.1175 -1.1175 -1.1175 -1.1175 4.0251 4.0251 4.0251 4.0251 5.8848 5.8848 5.8848 5.8848 6.6894 6.6894 6.6894 6.6894 6.8150 6.8150 6.8150 6.8150 7.8906 7.8906 7.8906 7.8906 8.5488 8.5488 8.5488 8.5488 8.8309 8.8309 8.8309 8.8309 9.2519 9.2519 9.2519 9.2519 10.3878 10.3878 10.3878 10.3878 11.7689 11.7689 11.7689 11.7689 k = 0.0000 0.1081 0.3074 ( 4570 PWs) bands (ev): -3.5494 -3.5494 -3.5494 -3.5494 -1.0628 -1.0628 -1.0628 -1.0628 3.9963 3.9963 3.9963 3.9963 5.8256 5.8256 5.8256 5.8256 6.7083 6.7083 6.7083 6.7083 6.8242 6.8242 6.8242 6.8242 7.8628 7.8628 7.8628 7.8628 8.5713 8.5713 8.5713 8.5713 8.8312 8.8312 8.8312 8.8312 9.2605 9.2605 9.2605 9.2605 10.3766 10.3766 10.3766 10.3766 11.7702 11.7702 11.7702 11.7702 k = 0.0000 0.0961 0.3074 ( 4570 PWs) bands (ev): -3.5702 -3.5702 -3.5702 -3.5702 -1.0122 -1.0122 -1.0122 -1.0122 3.9697 3.9697 3.9697 3.9697 5.7685 5.7685 5.7685 5.7685 6.7260 6.7260 6.7260 6.7260 6.8355 6.8355 6.8355 6.8355 7.8372 7.8372 7.8372 7.8372 8.5935 8.5935 8.5935 8.5935 8.8317 8.8317 8.8317 8.8317 9.2680 9.2680 9.2680 9.2680 10.3646 10.3646 10.3646 10.3646 11.7670 11.7670 11.7670 11.7670 k = 0.0000 0.0841 0.3074 ( 4580 PWs) bands (ev): -3.5885 -3.5885 -3.5885 -3.5885 -0.9662 -0.9662 -0.9662 -0.9662 3.9454 3.9454 3.9454 3.9454 5.7153 5.7153 5.7153 5.7153 6.7416 6.7416 6.7416 6.7416 6.8481 6.8481 6.8481 6.8481 7.8140 7.8140 7.8140 7.8140 8.6146 8.6146 8.6146 8.6146 8.8325 8.8325 8.8325 8.8325 9.2744 9.2744 9.2744 9.2744 10.3522 10.3522 10.3522 10.3522 11.7609 11.7609 11.7609 11.7609 k = 0.0000 0.0721 0.3074 ( 4578 PWs) bands (ev): -3.6044 -3.6044 -3.6044 -3.6044 -0.9252 -0.9252 -0.9252 -0.9252 3.9236 3.9236 3.9236 3.9236 5.6673 5.6673 5.6673 5.6673 6.7549 6.7549 6.7549 6.7549 6.8610 6.8610 6.8610 6.8610 7.7935 7.7935 7.7935 7.7935 8.6342 8.6342 8.6342 8.6342 8.8338 8.8338 8.8338 8.8338 9.2798 9.2798 9.2798 9.2798 10.3399 10.3399 10.3399 10.3399 11.7533 11.7533 11.7533 11.7533 k = 0.0000 0.0601 0.3074 ( 4570 PWs) bands (ev): -3.6179 -3.6179 -3.6179 -3.6179 -0.8897 -0.8897 -0.8897 -0.8897 3.9047 3.9047 3.9047 3.9047 5.6254 5.6254 5.6254 5.6254 6.7659 6.7659 6.7659 6.7659 6.8734 6.8734 6.8734 6.8734 7.7759 7.7759 7.7759 7.7759 8.6517 8.6517 8.6517 8.6517 8.8355 8.8355 8.8355 8.8355 9.2843 9.2843 9.2843 9.2843 10.3282 10.3282 10.3282 10.3282 11.7453 11.7453 11.7453 11.7453 k = 0.0000 0.0481 0.3074 ( 4566 PWs) bands (ev): -3.6290 -3.6290 -3.6290 -3.6290 -0.8601 -0.8601 -0.8601 -0.8601 3.8888 3.8888 3.8888 3.8888 5.5903 5.5903 5.5903 5.5903 6.7747 6.7747 6.7747 6.7747 6.8844 6.8844 6.8844 6.8844 7.7612 7.7612 7.7612 7.7612 8.6663 8.6663 8.6663 8.6663 8.8376 8.8376 8.8376 8.8376 9.2878 9.2878 9.2878 9.2878 10.3177 10.3177 10.3177 10.3177 11.7376 11.7376 11.7376 11.7376 k = 0.0000 0.0360 0.3074 ( 4566 PWs) bands (ev): -3.6376 -3.6376 -3.6376 -3.6376 -0.8366 -0.8366 -0.8366 -0.8366 3.8762 3.8762 3.8762 3.8762 5.5625 5.5625 5.5625 5.5625 6.7815 6.7815 6.7815 6.7815 6.8936 6.8936 6.8936 6.8936 7.7496 7.7496 7.7496 7.7496 8.6780 8.6780 8.6780 8.6780 8.8398 8.8398 8.8398 8.8398 9.2906 9.2906 9.2906 9.2906 10.3088 10.3088 10.3088 10.3088 11.7311 11.7311 11.7311 11.7311 k = 0.0000 0.0240 0.3074 ( 4562 PWs) bands (ev): -3.6437 -3.6437 -3.6437 -3.6437 -0.8196 -0.8196 -0.8196 -0.8196 3.8671 3.8671 3.8671 3.8671 5.5424 5.5424 5.5424 5.5424 6.7862 6.7862 6.7862 6.7862 6.9004 6.9004 6.9004 6.9004 7.7412 7.7412 7.7412 7.7412 8.6863 8.6863 8.6863 8.6863 8.8418 8.8418 8.8418 8.8418 9.2925 9.2925 9.2925 9.2925 10.3021 10.3021 10.3021 10.3021 11.7261 11.7261 11.7261 11.7261 k = 0.0000 0.0120 0.3074 ( 4554 PWs) bands (ev): -3.6474 -3.6474 -3.6474 -3.6474 -0.8094 -0.8094 -0.8094 -0.8094 3.8616 3.8616 3.8616 3.8616 5.5303 5.5303 5.5303 5.5303 6.7891 6.7891 6.7891 6.7891 6.9046 6.9046 6.9046 6.9046 7.7362 7.7362 7.7362 7.7362 8.6913 8.6913 8.6913 8.6913 8.8432 8.8432 8.8432 8.8432 9.2936 9.2936 9.2936 9.2936 10.2979 10.2979 10.2979 10.2979 11.7229 11.7229 11.7229 11.7229 k = 0.0000 0.0000 0.3074 ( 4558 PWs) bands (ev): -3.6487 -3.6487 -3.6487 -3.6487 -0.8059 -0.8059 -0.8059 -0.8059 3.8597 3.8597 3.8597 3.8597 5.5262 5.5262 5.5262 5.5262 6.7900 6.7900 6.7900 6.7900 6.9060 6.9060 6.9060 6.9060 7.7345 7.7345 7.7345 7.7345 8.6929 8.6929 8.6929 8.6929 8.8437 8.8437 8.8437 8.8437 9.2940 9.2940 9.2940 9.2940 10.2965 10.2965 10.2965 10.2965 11.7219 11.7219 11.7219 11.7219 k = 0.0000 0.3604-0.0000 ( 4558 PWs) bands (ev): -3.2913 -3.2913 -3.2913 -3.2913 -1.4696 -1.4696 -1.4696 -1.4696 3.2259 3.2259 3.2259 3.2259 6.6034 6.6034 6.6034 6.6034 6.8411 6.8411 6.8411 6.8411 7.1693 7.1693 7.1693 7.1693 8.0683 8.0683 8.0683 8.0683 8.8032 8.8032 8.8032 8.8032 8.8441 8.8441 8.8441 8.8441 9.5335 9.5335 9.5335 9.5335 10.8327 10.8327 10.8327 10.8327 11.4606 11.4606 11.4606 11.4606 k = 0.0000 0.3604 0.0118 ( 4576 PWs) bands (ev): -3.2902 -3.2902 -3.2902 -3.2902 -1.4721 -1.4721 -1.4721 -1.4721 3.2298 3.2298 3.2298 3.2298 6.6028 6.6028 6.6028 6.6028 6.8349 6.8349 6.8349 6.8349 7.1762 7.1762 7.1762 7.1762 8.0695 8.0695 8.0695 8.0695 8.8021 8.8021 8.8021 8.8021 8.8413 8.8413 8.8413 8.8413 9.5319 9.5319 9.5319 9.5319 10.8330 10.8330 10.8330 10.8330 11.4600 11.4600 11.4600 11.4600 k = 0.0000 0.3604 0.0236 ( 4574 PWs) bands (ev): -3.2870 -3.2870 -3.2870 -3.2870 -1.4797 -1.4797 -1.4797 -1.4797 3.2415 3.2415 3.2415 3.2415 6.6009 6.6009 6.6009 6.6009 6.8179 6.8179 6.8179 6.8179 7.1959 7.1959 7.1959 7.1959 8.0728 8.0728 8.0728 8.0728 8.7984 8.7984 8.7984 8.7984 8.8340 8.8340 8.8340 8.8340 9.5271 9.5271 9.5271 9.5271 10.8337 10.8337 10.8337 10.8337 11.4584 11.4584 11.4584 11.4584 k = 0.0000 0.3604 0.0355 ( 4574 PWs) bands (ev): -3.2817 -3.2817 -3.2817 -3.2817 -1.4921 -1.4921 -1.4921 -1.4921 3.2608 3.2608 3.2608 3.2608 6.5974 6.5974 6.5974 6.5974 6.7934 6.7934 6.7934 6.7934 7.2252 7.2252 7.2252 7.2252 8.0783 8.0783 8.0783 8.0783 8.7892 8.7892 8.7892 8.7892 8.8251 8.8251 8.8251 8.8251 9.5191 9.5191 9.5191 9.5191 10.8345 10.8345 10.8345 10.8345 11.4556 11.4556 11.4556 11.4556 k = 0.0000 0.3604 0.0473 ( 4566 PWs) bands (ev): -3.2742 -3.2742 -3.2742 -3.2742 -1.5094 -1.5094 -1.5094 -1.5094 3.2876 3.2876 3.2876 3.2876 6.5918 6.5918 6.5918 6.5918 6.7648 6.7648 6.7648 6.7648 7.2611 7.2611 7.2611 7.2611 8.0861 8.0861 8.0861 8.0861 8.7711 8.7711 8.7711 8.7711 8.8185 8.8185 8.8185 8.8185 9.5080 9.5080 9.5080 9.5080 10.8349 10.8349 10.8349 10.8349 11.4516 11.4516 11.4516 11.4516 k = 0.0000 0.3604 0.0591 ( 4568 PWs) bands (ev): -3.2647 -3.2647 -3.2647 -3.2647 -1.5312 -1.5312 -1.5312 -1.5312 3.3216 3.3216 3.3216 3.3216 6.5828 6.5828 6.5828 6.5828 6.7351 6.7351 6.7351 6.7351 7.3016 7.3016 7.3016 7.3016 8.0959 8.0959 8.0959 8.0959 8.7443 8.7443 8.7443 8.7443 8.8145 8.8145 8.8145 8.8145 9.4939 9.4939 9.4939 9.4939 10.8342 10.8342 10.8342 10.8342 11.4464 11.4464 11.4464 11.4464 k = 0.0000 0.3604 0.0709 ( 4580 PWs) bands (ev): -3.2531 -3.2531 -3.2531 -3.2531 -1.5573 -1.5573 -1.5573 -1.5573 3.3624 3.3624 3.3624 3.3624 6.5690 6.5690 6.5690 6.5690 6.7073 6.7073 6.7073 6.7073 7.3451 7.3451 7.3451 7.3451 8.1078 8.1078 8.1078 8.1078 8.7111 8.7111 8.7111 8.7111 8.8116 8.8116 8.8116 8.8116 9.4769 9.4769 9.4769 9.4769 10.8316 10.8316 10.8316 10.8316 11.4399 11.4399 11.4399 11.4399 k = 0.0000 0.3604 0.0828 ( 4572 PWs) bands (ev): -3.2394 -3.2394 -3.2394 -3.2394 -1.5873 -1.5873 -1.5873 -1.5873 3.4097 3.4097 3.4097 3.4097 6.5484 6.5484 6.5484 6.5484 6.6841 6.6841 6.6841 6.6841 7.3909 7.3909 7.3909 7.3909 8.1216 8.1216 8.1216 8.1216 8.6731 8.6731 8.6731 8.6731 8.8091 8.8091 8.8091 8.8091 9.4572 9.4572 9.4572 9.4572 10.8264 10.8264 10.8264 10.8264 11.4322 11.4322 11.4322 11.4322 k = 0.0000 0.3604 0.0946 ( 4572 PWs) bands (ev): -3.2237 -3.2237 -3.2237 -3.2237 -1.6209 -1.6209 -1.6209 -1.6209 3.4631 3.4631 3.4631 3.4631 6.5200 6.5200 6.5200 6.5200 6.6666 6.6666 6.6666 6.6666 7.4383 7.4383 7.4383 7.4383 8.1371 8.1371 8.1371 8.1371 8.6317 8.6317 8.6317 8.6317 8.8065 8.8065 8.8065 8.8065 9.4348 9.4348 9.4348 9.4348 10.8176 10.8176 10.8176 10.8176 11.4231 11.4231 11.4231 11.4231 k = 0.0000 0.3604 0.1064 ( 4572 PWs) bands (ev): -3.2060 -3.2060 -3.2060 -3.2060 -1.6578 -1.6578 -1.6578 -1.6578 3.5220 3.5220 3.5220 3.5220 6.4847 6.4847 6.4847 6.4847 6.6543 6.6543 6.6543 6.6543 7.4868 7.4868 7.4868 7.4868 8.1540 8.1540 8.1540 8.1540 8.5881 8.5881 8.5881 8.5881 8.8037 8.8037 8.8037 8.8037 9.4100 9.4100 9.4100 9.4100 10.8044 10.8044 10.8044 10.8044 11.4128 11.4128 11.4128 11.4128 k = 0.0000 0.3604 0.1182 ( 4576 PWs) bands (ev): -3.1864 -3.1864 -3.1864 -3.1864 -1.6975 -1.6975 -1.6975 -1.6975 3.5860 3.5860 3.5860 3.5860 6.4442 6.4442 6.4442 6.4442 6.6456 6.6456 6.6456 6.6456 7.5360 7.5360 7.5360 7.5360 8.1719 8.1719 8.1719 8.1719 8.5436 8.5436 8.5436 8.5436 8.8004 8.8004 8.8004 8.8004 9.3830 9.3830 9.3830 9.3830 10.7862 10.7862 10.7862 10.7862 11.4017 11.4017 11.4017 11.4017 k = 0.0000 0.3604 0.1301 ( 4572 PWs) bands (ev): -3.1649 -3.1649 -3.1649 -3.1649 -1.7397 -1.7397 -1.7397 -1.7397 3.6546 3.6546 3.6546 3.6546 6.3997 6.3997 6.3997 6.3997 6.6393 6.6393 6.6393 6.6393 7.5855 7.5855 7.5855 7.5855 8.1900 8.1900 8.1900 8.1900 8.5001 8.5001 8.5001 8.5001 8.7966 8.7966 8.7966 8.7966 9.3539 9.3539 9.3539 9.3539 10.7627 10.7627 10.7627 10.7627 11.3899 11.3899 11.3899 11.3899 k = 0.0000 0.3604 0.1419 ( 4568 PWs) bands (ev): -3.1416 -3.1416 -3.1416 -3.1416 -1.7840 -1.7840 -1.7840 -1.7840 3.7271 3.7271 3.7271 3.7271 6.3521 6.3521 6.3521 6.3521 6.6344 6.6344 6.6344 6.6344 7.6348 7.6348 7.6348 7.6348 8.2068 8.2068 8.2068 8.2068 8.4600 8.4600 8.4600 8.4600 8.7923 8.7923 8.7923 8.7923 9.3230 9.3230 9.3230 9.3230 10.7337 10.7337 10.7337 10.7337 11.3780 11.3780 11.3780 11.3780 k = 0.0000 0.3604 0.1537 ( 4566 PWs) bands (ev): -3.1165 -3.1165 -3.1165 -3.1165 -1.8299 -1.8299 -1.8299 -1.8299 3.8029 3.8029 3.8029 3.8029 6.3020 6.3020 6.3020 6.3020 6.6305 6.6305 6.6305 6.6305 7.6834 7.6834 7.6834 7.6834 8.2195 8.2195 8.2195 8.2195 8.4269 8.4269 8.4269 8.4269 8.7872 8.7872 8.7872 8.7872 9.2905 9.2905 9.2905 9.2905 10.6995 10.6995 10.6995 10.6995 11.3664 11.3664 11.3664 11.3664 k = 0.0000 0.3604 0.1655 ( 4564 PWs) bands (ev): -3.0899 -3.0899 -3.0899 -3.0899 -1.8771 -1.8771 -1.8771 -1.8771 3.8816 3.8816 3.8816 3.8816 6.2497 6.2497 6.2497 6.2497 6.6271 6.6271 6.6271 6.6271 7.7304 7.7304 7.7304 7.7304 8.2241 8.2241 8.2241 8.2241 8.4061 8.4061 8.4061 8.4061 8.7814 8.7814 8.7814 8.7814 9.2568 9.2568 9.2568 9.2568 10.6607 10.6607 10.6607 10.6607 11.3553 11.3553 11.3553 11.3553 k = 0.0000 0.3604 0.1774 ( 4568 PWs) bands (ev): -3.0617 -3.0617 -3.0617 -3.0617 -1.9252 -1.9252 -1.9252 -1.9252 3.9622 3.9622 3.9622 3.9622 6.1953 6.1953 6.1953 6.1953 6.6243 6.6243 6.6243 6.6243 7.7749 7.7749 7.7749 7.7749 8.2177 8.2177 8.2177 8.2177 8.4018 8.4018 8.4018 8.4018 8.7746 8.7746 8.7746 8.7746 9.2219 9.2219 9.2219 9.2219 10.6182 10.6182 10.6182 10.6182 11.3452 11.3452 11.3452 11.3452 k = 0.0000 0.3604 0.1892 ( 4568 PWs) bands (ev): -3.0323 -3.0323 -3.0323 -3.0323 -1.9737 -1.9737 -1.9737 -1.9737 4.0442 4.0442 4.0442 4.0442 6.1392 6.1392 6.1392 6.1392 6.6217 6.6217 6.6217 6.6217 7.8154 7.8154 7.8154 7.8154 8.2035 8.2035 8.2035 8.2035 8.4123 8.4123 8.4123 8.4123 8.7670 8.7670 8.7670 8.7670 9.1864 9.1864 9.1864 9.1864 10.5731 10.5731 10.5731 10.5731 11.3360 11.3360 11.3360 11.3360 k = 0.0000 0.3604 0.2010 ( 4556 PWs) bands (ev): -3.0017 -3.0017 -3.0017 -3.0017 -2.0222 -2.0222 -2.0222 -2.0222 4.1267 4.1267 4.1267 4.1267 6.0817 6.0817 6.0817 6.0817 6.6195 6.6195 6.6195 6.6195 7.8496 7.8496 7.8496 7.8496 8.1888 8.1888 8.1888 8.1888 8.4324 8.4324 8.4324 8.4324 8.7585 8.7585 8.7585 8.7585 9.1504 9.1504 9.1504 9.1504 10.5268 10.5268 10.5268 10.5268 11.3280 11.3280 11.3280 11.3280 k = 0.0000 0.3604 0.2128 ( 4556 PWs) bands (ev): -2.9703 -2.9703 -2.9703 -2.9703 -2.0702 -2.0702 -2.0702 -2.0702 4.2087 4.2087 4.2087 4.2087 6.0233 6.0233 6.0233 6.0233 6.6175 6.6175 6.6175 6.6175 7.8749 7.8749 7.8749 7.8749 8.1803 8.1803 8.1803 8.1803 8.4575 8.4575 8.4575 8.4575 8.7494 8.7494 8.7494 8.7494 9.1142 9.1142 9.1142 9.1142 10.4804 10.4804 10.4804 10.4804 11.3209 11.3209 11.3209 11.3209 k = 0.0000 0.3604 0.2247 ( 4570 PWs) bands (ev): -2.9385 -2.9385 -2.9385 -2.9385 -2.1171 -2.1171 -2.1171 -2.1171 4.2891 4.2891 4.2891 4.2891 5.9648 5.9648 5.9648 5.9648 6.6158 6.6158 6.6158 6.6158 7.8894 7.8894 7.8894 7.8894 8.1822 8.1822 8.1822 8.1822 8.4847 8.4847 8.4847 8.4847 8.7400 8.7400 8.7400 8.7400 9.0781 9.0781 9.0781 9.0781 10.4353 10.4353 10.4353 10.4353 11.3149 11.3149 11.3149 11.3149 k = 0.0000 0.3604 0.2365 ( 4572 PWs) bands (ev): -2.9067 -2.9067 -2.9067 -2.9067 -2.1623 -2.1623 -2.1623 -2.1623 4.3665 4.3665 4.3665 4.3665 5.9071 5.9071 5.9071 5.9071 6.6143 6.6143 6.6143 6.6143 7.8935 7.8935 7.8935 7.8935 8.1951 8.1951 8.1951 8.1951 8.5114 8.5114 8.5114 8.5114 8.7316 8.7316 8.7316 8.7316 9.0424 9.0424 9.0424 9.0424 10.3929 10.3929 10.3929 10.3929 11.3098 11.3098 11.3098 11.3098 k = 0.0000 0.3604 0.2483 ( 4566 PWs) bands (ev): -2.8757 -2.8757 -2.8757 -2.8757 -2.2048 -2.2048 -2.2048 -2.2048 4.4391 4.4391 4.4391 4.4391 5.8516 5.8516 5.8516 5.8516 6.6131 6.6131 6.6131 6.6131 7.8900 7.8900 7.8900 7.8900 8.2162 8.2162 8.2162 8.2162 8.5350 8.5350 8.5350 8.5350 8.7259 8.7259 8.7259 8.7259 9.0074 9.0074 9.0074 9.0074 10.3544 10.3544 10.3544 10.3544 11.3056 11.3056 11.3056 11.3056 k = 0.0000 0.3604 0.2601 ( 4574 PWs) bands (ev): -2.8465 -2.8465 -2.8465 -2.8465 -2.2436 -2.2436 -2.2436 -2.2436 4.5049 4.5049 4.5049 4.5049 5.8002 5.8002 5.8002 5.8002 6.6120 6.6120 6.6120 6.6120 7.8828 7.8828 7.8828 7.8828 8.2414 8.2414 8.2414 8.2414 8.5526 8.5526 8.5526 8.5526 8.7256 8.7256 8.7256 8.7256 8.9736 8.9736 8.9736 8.9736 10.3211 10.3211 10.3211 10.3211 11.3022 11.3022 11.3022 11.3022 k = 0.0000 0.3604 0.2720 ( 4560 PWs) bands (ev): -2.8205 -2.8205 -2.8205 -2.8205 -2.2772 -2.2772 -2.2772 -2.2772 4.5611 4.5611 4.5611 4.5611 5.7553 5.7553 5.7553 5.7553 6.6112 6.6112 6.6112 6.6112 7.8748 7.8748 7.8748 7.8748 8.2668 8.2668 8.2668 8.2668 8.5620 8.5620 8.5620 8.5620 8.7328 8.7328 8.7328 8.7328 8.9414 8.9414 8.9414 8.9414 10.2939 10.2939 10.2939 10.2939 11.2996 11.2996 11.2996 11.2996 k = 0.0000 0.3604 0.2838 ( 4568 PWs) bands (ev): -2.7995 -2.7995 -2.7995 -2.7995 -2.3036 -2.3036 -2.3036 -2.3036 4.6047 4.6047 4.6047 4.6047 5.7200 5.7200 5.7200 5.7200 6.6106 6.6106 6.6106 6.6106 7.8679 7.8679 7.8679 7.8679 8.2886 8.2886 8.2886 8.2886 8.5639 8.5639 8.5639 8.5639 8.7464 8.7464 8.7464 8.7464 8.9124 8.9124 8.9124 8.9124 10.2738 10.2738 10.2738 10.2738 11.2978 11.2978 11.2978 11.2978 k = 0.0000 0.3604 0.2956 ( 4572 PWs) bands (ev): -2.7857 -2.7857 -2.7857 -2.7857 -2.3207 -2.3207 -2.3207 -2.3207 4.6325 4.6325 4.6325 4.6325 5.6971 5.6971 5.6971 5.6971 6.6103 6.6103 6.6103 6.6103 7.8634 7.8634 7.8634 7.8634 8.3036 8.3036 8.3036 8.3036 8.5623 8.5623 8.5623 8.5623 8.7613 8.7613 8.7613 8.7613 8.8897 8.8897 8.8897 8.8897 10.2614 10.2614 10.2614 10.2614 11.2967 11.2967 11.2967 11.2967 k = 0.0000 0.3604 0.3074 ( 4580 PWs) bands (ev): -2.7809 -2.7809 -2.7809 -2.7809 -2.3267 -2.3267 -2.3267 -2.3267 4.6421 4.6421 4.6421 4.6421 5.6892 5.6892 5.6892 5.6892 6.6101 6.6101 6.6101 6.6101 7.8619 7.8619 7.8619 7.8619 8.3090 8.3090 8.3090 8.3090 8.5612 8.5612 8.5612 8.5612 8.7682 8.7682 8.7682 8.7682 8.8804 8.8804 8.8804 8.8804 10.2572 10.2572 10.2572 10.2572 11.2964 11.2964 11.2964 11.2964 k = 0.5000-0.0000 0.3074 ( 4564 PWs) bands (ev): -2.6389 -2.6389 -2.6377 -2.6377 -1.0318 -1.0318 -1.0252 -1.0252 3.5890 3.5890 3.6791 3.6791 5.2040 5.2040 5.2306 5.2306 6.0946 6.0946 6.0983 6.0983 6.3277 6.3277 6.5072 6.5072 7.4048 7.4048 7.4350 7.4350 7.9011 7.9011 7.9334 7.9334 8.3692 8.3692 8.4011 8.4011 9.0804 9.0804 9.0994 9.0994 9.8449 9.8449 9.8928 9.8928 11.0113 11.0113 11.0565 11.0565 k = 0.5000-0.0000 0.2956 ( 4568 PWs) bands (ev): -2.6395 -2.6395 -2.6383 -2.6383 -1.0307 -1.0307 -1.0241 -1.0241 3.5901 3.5901 3.6801 3.6801 5.2025 5.2025 5.2300 5.2300 6.0899 6.0899 6.0985 6.0985 6.3344 6.3344 6.5097 6.5097 7.3937 7.3937 7.4235 7.4235 7.9025 7.9025 7.9345 7.9345 8.3757 8.3757 8.4075 8.4075 9.0804 9.0804 9.0994 9.0994 9.8465 9.8465 9.8943 9.8943 11.0112 11.0112 11.0565 11.0565 k = 0.5000-0.0000 0.2838 ( 4568 PWs) bands (ev): -2.6415 -2.6415 -2.6403 -2.6403 -1.0274 -1.0274 -1.0209 -1.0209 3.5935 3.5935 3.6829 3.6829 5.1983 5.1983 5.2283 5.2283 6.0775 6.0775 6.0991 6.0991 6.3531 6.3531 6.5170 6.5170 7.3615 7.3615 7.3906 7.3906 7.9066 7.9066 7.9376 7.9376 8.3940 8.3940 8.4259 8.4259 9.0804 9.0804 9.0995 9.0995 9.8514 9.8514 9.8988 9.8988 11.0112 11.0112 11.0566 11.0566 k = 0.5000-0.0000 0.2720 ( 4568 PWs) bands (ev): -2.6448 -2.6448 -2.6436 -2.6436 -1.0220 -1.0220 -1.0155 -1.0155 3.5991 3.5991 3.6877 3.6877 5.1915 5.1915 5.2255 5.2255 6.0604 6.0604 6.1003 6.1003 6.3804 6.3804 6.5288 6.5288 7.3115 7.3115 7.3395 7.3395 7.9126 7.9126 7.9422 7.9422 8.4217 8.4217 8.4538 8.4538 9.0804 9.0804 9.0995 9.0995 9.8594 9.8594 9.9061 9.9061 11.0112 11.0112 11.0567 11.0567 k = 0.5000-0.0000 0.2601 ( 4578 PWs) bands (ev): -2.6492 -2.6492 -2.6480 -2.6480 -1.0146 -1.0146 -1.0082 -1.0082 3.6070 3.6070 3.6945 3.6945 5.1821 5.1821 5.2214 5.2214 6.0412 6.0412 6.1020 6.1020 6.4135 6.4135 6.5444 6.5444 7.2475 7.2475 7.2746 7.2746 7.9200 7.9200 7.9479 7.9479 8.4558 8.4558 8.4881 8.4881 9.0804 9.0804 9.0995 9.0995 9.8705 9.8705 9.9162 9.9162 11.0111 11.0111 11.0568 11.0568 k = 0.5000-0.0000 0.2483 ( 4574 PWs) bands (ev): -2.6547 -2.6547 -2.6536 -2.6536 -1.0054 -1.0054 -0.9990 -0.9990 3.6172 3.6172 3.7032 3.7032 5.1705 5.1705 5.2163 5.2163 6.0216 6.0216 6.1043 6.1043 6.4502 6.4502 6.5630 6.5630 7.1734 7.1734 7.1998 7.1998 7.9285 7.9285 7.9545 7.9545 8.4933 8.4933 8.5261 8.5261 9.0804 9.0804 9.0995 9.0995 9.8844 9.8844 9.9289 9.9289 11.0109 11.0109 11.0569 11.0569 k = 0.5000-0.0000 0.2365 ( 4582 PWs) bands (ev): -2.6612 -2.6612 -2.6601 -2.6601 -0.9944 -0.9944 -0.9882 -0.9882 3.6298 3.6298 3.7139 3.7139 5.1570 5.1570 5.2100 5.2100 6.0024 6.0024 6.1071 6.1071 6.4888 6.4888 6.5834 6.5834 7.0927 7.0927 7.1189 7.1189 7.9380 7.9380 7.9620 7.9620 8.5319 8.5319 8.5652 8.5652 9.0804 9.0804 9.0995 9.0995 9.9010 9.9010 9.9439 9.9439 11.0108 11.0108 11.0571 11.0571 k = 0.5000-0.0000 0.2247 ( 4582 PWs) bands (ev): -2.6686 -2.6686 -2.6675 -2.6675 -0.9819 -0.9819 -0.9758 -0.9758 3.6446 3.6446 3.7267 3.7267 5.1418 5.1418 5.2027 5.2027 5.9838 5.9838 6.1104 6.1104 6.5277 6.5277 6.6033 6.6033 7.0089 7.0089 7.0358 7.0358 7.9485 7.9485 7.9703 7.9703 8.5700 8.5700 8.6038 8.6038 9.0804 9.0804 9.0994 9.0994 9.9199 9.9199 9.9611 9.9611 11.0106 11.0106 11.0573 11.0573 k = 0.5000-0.0000 0.2128 ( 4582 PWs) bands (ev): -2.6767 -2.6767 -2.6757 -2.6757 -0.9682 -0.9682 -0.9622 -0.9622 3.6619 3.6619 3.7415 3.7415 5.1253 5.1253 5.1945 5.1945 5.9656 5.9656 6.1138 6.1138 6.5646 6.5646 6.6187 6.6187 6.9258 6.9258 6.9560 6.9560 7.9600 7.9600 7.9794 7.9794 8.6065 8.6065 8.6407 8.6407 9.0804 9.0804 9.0993 9.0993 9.9409 9.9409 9.9801 9.9801 11.0103 11.0103 11.0575 11.0575 k = 0.5000-0.0000 0.2010 ( 4578 PWs) bands (ev): -2.6854 -2.6854 -2.6844 -2.6844 -0.9533 -0.9533 -0.9475 -0.9475 3.6815 3.6815 3.7583 3.7583 5.1078 5.1078 5.1855 5.1855 5.9471 5.9471 6.1168 6.1168 6.5943 6.5943 6.6213 6.6213 6.8503 6.8503 6.8893 6.8893 7.9726 7.9726 7.9895 7.9895 8.6406 8.6406 8.6752 8.6752 9.0803 9.0803 9.0991 9.0991 9.9637 9.9637 10.0007 10.0007 11.0099 11.0099 11.0576 11.0576 k = 0.5000-0.0000 0.1892 ( 4586 PWs) bands (ev): -2.6945 -2.6945 -2.6935 -2.6935 -0.9376 -0.9376 -0.9319 -0.9319 3.7035 3.7035 3.7773 3.7773 5.0896 5.0896 5.1758 5.1758 5.9274 5.9274 6.1186 6.1186 6.5975 6.5975 6.6035 6.6035 6.7972 6.7972 6.8503 6.8503 7.9861 7.9861 8.0003 8.0003 8.6720 8.6720 8.7067 8.7067 9.0803 9.0803 9.0989 9.0989 9.9879 9.9879 10.0227 10.0227 11.0093 11.0093 11.0577 11.0577 k = 0.5000-0.0000 0.1774 ( 4586 PWs) bands (ev): -2.7039 -2.7039 -2.7029 -2.7029 -0.9213 -0.9213 -0.9158 -0.9158 3.7278 3.7278 3.7983 3.7983 5.0710 5.0710 5.1658 5.1658 5.9051 5.9051 6.1177 6.1177 6.5443 6.5443 6.5750 6.5750 6.7860 6.7860 6.8441 6.8441 8.0006 8.0006 8.0120 8.0120 8.7005 8.7005 8.7353 8.7353 9.0802 9.0802 9.0986 9.0986 10.0134 10.0134 10.0459 10.0459 11.0085 11.0085 11.0576 11.0576 k = 0.5000-0.0000 0.1655 ( 4586 PWs) bands (ev): -2.7134 -2.7134 -2.7125 -2.7125 -0.9046 -0.9046 -0.8994 -0.8994 3.7545 3.7545 3.8213 3.8213 5.0523 5.0523 5.1556 5.1556 5.8782 5.8782 6.1117 6.1117 6.4763 6.4763 6.5206 6.5206 6.8065 6.8065 6.8586 6.8586 8.0159 8.0159 8.0245 8.0245 8.7262 8.7262 8.7607 8.7607 9.0801 9.0801 9.0982 9.0982 10.0399 10.0399 10.0700 10.0700 11.0074 11.0074 11.0575 11.0575 k = 0.5000-0.0000 0.1537 ( 4576 PWs) bands (ev): -2.7229 -2.7229 -2.7220 -2.7220 -0.8878 -0.8878 -0.8829 -0.8829 3.7835 3.7835 3.8463 3.8463 5.0338 5.0338 5.1454 5.1454 5.8450 5.8450 6.0961 6.0961 6.4092 6.4092 6.4622 6.4622 6.8390 6.8390 6.8828 6.8828 8.0320 8.0320 8.0377 8.0377 8.7491 8.7491 8.7832 8.7832 9.0800 9.0800 9.0977 9.0977 10.0673 10.0673 10.0951 10.0951 11.0059 11.0059 11.0572 11.0572 k = 0.5000-0.0000 0.1419 ( 4576 PWs) bands (ev): -2.7322 -2.7322 -2.7314 -2.7314 -0.8712 -0.8712 -0.8665 -0.8665 3.8147 3.8147 3.8731 3.8731 5.0156 5.0156 5.1355 5.1355 5.8038 5.8038 6.0652 6.0652 6.3543 6.3543 6.4099 6.4099 6.8751 6.8751 6.9109 6.9109 8.0486 8.0486 8.0515 8.0515 8.7693 8.7693 8.8028 8.8028 9.0798 9.0798 9.0970 9.0970 10.0954 10.0954 10.1209 10.1209 11.0036 11.0036 11.0565 11.0565 k = 0.5000-0.0000 0.1301 ( 4574 PWs) bands (ev): -2.7412 -2.7412 -2.7405 -2.7405 -0.8549 -0.8549 -0.8505 -0.8505 3.8478 3.8478 3.9016 3.9016 4.9980 4.9980 5.1261 5.1261 5.7541 5.7541 6.0153 6.0153 6.3178 6.3178 6.3675 6.3675 6.9116 6.9116 6.9404 6.9404 8.0654 8.0654 8.0657 8.0657 8.7872 8.7872 8.8197 8.8197 9.0797 9.0797 9.0963 9.0963 10.1241 10.1241 10.1475 10.1475 11.0002 11.0002 11.0553 11.0553 k = 0.5000-0.0000 0.1182 ( 4570 PWs) bands (ev): -2.7499 -2.7499 -2.7492 -2.7492 -0.8392 -0.8392 -0.8352 -0.8352 3.8826 3.8826 3.9316 3.9316 4.9813 4.9813 5.1173 5.1173 5.6966 5.6966 5.9499 5.9499 6.2980 6.2980 6.3355 6.3355 6.9471 6.9471 6.9700 6.9700 8.0802 8.0802 8.0823 8.0823 8.8029 8.8029 8.8342 8.8342 9.0796 9.0796 9.0954 9.0954 10.1535 10.1535 10.1750 10.1750 10.9950 10.9950 11.0530 11.0530 k = 0.5000-0.0000 0.1064 ( 4566 PWs) bands (ev): -2.7580 -2.7580 -2.7574 -2.7574 -0.8243 -0.8243 -0.8206 -0.8206 3.9189 3.9189 3.9626 3.9626 4.9658 4.9658 5.1091 5.1091 5.6335 5.6335 5.8756 5.8756 6.2890 6.2890 6.3132 6.3132 6.9809 6.9809 6.9987 6.9987 8.0948 8.0948 8.0989 8.0989 8.8166 8.8166 8.8464 8.8464 9.0794 9.0794 9.0944 9.0944 10.1836 10.1836 10.2034 10.2034 10.9867 10.9867 11.0480 11.0480 k = 0.5000-0.0000 0.0946 ( 4572 PWs) bands (ev): -2.7655 -2.7655 -2.7650 -2.7650 -0.8105 -0.8105 -0.8071 -0.8071 3.9560 3.9560 3.9943 3.9943 4.9518 4.9518 5.1016 5.1016 5.5676 5.5676 5.7981 5.7981 6.2860 6.2860 6.2986 6.2986 7.0122 7.0122 7.0259 7.0259 8.1092 8.1092 8.1149 8.1149 8.8285 8.8285 8.8564 8.8564 9.0793 9.0793 9.0932 9.0932 10.2145 10.2145 10.2327 10.2327 10.9729 10.9729 11.0344 11.0344 k = 0.5000-0.0000 0.0828 ( 4564 PWs) bands (ev): -2.7724 -2.7724 -2.7719 -2.7719 -0.7977 -0.7977 -0.7947 -0.7947 3.9934 3.9934 4.0261 4.0261 4.9396 4.9396 5.0942 5.0942 5.5019 5.5019 5.7212 5.7212 6.2859 6.2859 6.2899 6.2899 7.0408 7.0408 7.0510 7.0510 8.1232 8.1232 8.1300 8.1300 8.8389 8.8389 8.8646 8.8646 9.0793 9.0793 9.0919 9.0919 10.2462 10.2462 10.2631 10.2631 10.9502 10.9502 10.9969 10.9969 k = 0.5000-0.0000 0.0709 ( 4560 PWs) bands (ev): -2.7785 -2.7785 -2.7780 -2.7780 -0.7863 -0.7863 -0.7837 -0.7837 4.0303 4.0303 4.0572 4.0572 4.9298 4.9298 5.0862 5.0862 5.4400 5.4400 5.6471 5.6471 6.2854 6.2854 6.2872 6.2872 7.0662 7.0662 7.0736 7.0736 8.1364 8.1364 8.1438 8.1438 8.8479 8.8479 8.8710 8.8710 9.0793 9.0793 9.0906 9.0906 10.2788 10.2788 10.2946 10.2946 10.9156 10.9156 10.9385 10.9385 k = 0.5000-0.0000 0.0591 ( 4560 PWs) bands (ev): -2.7837 -2.7837 -2.7833 -2.7833 -0.7764 -0.7764 -0.7742 -0.7742 4.0655 4.0655 4.0868 4.0868 4.9230 4.9230 5.0761 5.0761 5.3858 5.3858 5.5773 5.5773 6.2839 6.2839 6.2889 6.2889 7.0881 7.0881 7.0934 7.0934 8.1485 8.1485 8.1559 8.1559 8.8556 8.8556 8.8757 8.8757 9.0794 9.0794 9.0892 9.0892 10.3122 10.3122 10.3270 10.3270 10.8706 10.8706 10.8761 10.8761 k = 0.5000-0.0000 0.0473 ( 4564 PWs) bands (ev): -2.7881 -2.7881 -2.7878 -2.7878 -0.7681 -0.7681 -0.7663 -0.7663 4.0977 4.0977 4.1136 4.1136 4.9201 4.9201 5.0617 5.0617 5.3437 5.3437 5.5133 5.5133 6.2841 6.2841 6.2904 6.2904 7.1064 7.1064 7.1100 7.1100 8.1593 8.1593 8.1660 8.1660 8.8622 8.8622 8.8788 8.8788 9.0797 9.0797 9.0877 9.0877 10.3463 10.3463 10.3600 10.3600 10.8163 10.8163 10.8203 10.8203 k = 0.5000-0.0000 0.0355 ( 4564 PWs) bands (ev): -2.7915 -2.7915 -2.7913 -2.7913 -0.7614 -0.7614 -0.7601 -0.7601 4.1254 4.1254 4.1365 4.1365 4.9221 4.9221 5.0415 5.0415 5.3174 5.3174 5.4561 5.4561 6.2854 6.2854 6.2914 6.2914 7.1209 7.1209 7.1231 7.1231 8.1683 8.1683 8.1739 8.1739 8.8678 8.8678 8.8806 8.8806 9.0802 9.0802 9.0863 9.0863 10.3801 10.3801 10.3926 10.3926 10.7621 10.7621 10.7703 10.7703 k = 0.5000-0.0000 0.0236 ( 4564 PWs) bands (ev): -2.7940 -2.7940 -2.7938 -2.7938 -0.7566 -0.7566 -0.7557 -0.7557 4.1470 4.1470 4.1538 4.1538 4.9298 4.9298 5.0163 5.0163 5.3082 5.3082 5.4066 5.4066 6.2872 6.2872 6.2918 6.2918 7.1313 7.1313 7.1327 7.1327 8.1754 8.1754 8.1794 8.1794 8.8724 8.8724 8.8811 8.8811 9.0808 9.0808 9.0849 9.0849 10.4120 10.4120 10.4224 10.4224 10.7165 10.7165 10.7252 10.7252 k = 0.5000-0.0000 0.0118 ( 4560 PWs) bands (ev): -2.7954 -2.7954 -2.7954 -2.7954 -0.7535 -0.7535 -0.7531 -0.7531 4.1612 4.1612 4.1644 4.1644 4.9439 4.9439 4.9892 4.9892 5.3147 5.3147 5.3657 5.3657 6.2890 6.2890 6.2915 6.2915 7.1377 7.1377 7.1384 7.1384 8.1802 8.1802 8.1823 8.1823 8.8760 8.8760 8.8805 8.8805 9.0816 9.0816 9.0837 9.0837 10.4380 10.4380 10.4444 10.4444 10.6850 10.6850 10.6908 10.6908 k = 0.5000-0.0000-0.0000 ( 4564 PWs) bands (ev): -2.7959 -2.7959 -2.7959 -2.7959 -0.7524 -0.7524 -0.7524 -0.7524 4.1670 4.1670 4.1670 4.1670 4.9641 4.9641 4.9641 4.9641 5.3346 5.3346 5.3346 5.3346 6.2905 6.2905 6.2905 6.2905 7.1401 7.1401 7.1401 7.1401 8.1825 8.1825 8.1825 8.1825 8.8787 8.8787 8.8787 8.8787 9.0826 9.0826 9.0826 9.0826 10.4507 10.4507 10.4507 10.4507 10.6753 10.6753 10.6753 10.6753 k = 0.5000 0.3604-0.0000 ( 4600 PWs) bands (ev): -2.3413 -2.3413 -2.3386 -2.3386 -1.3843 -1.3843 -1.3807 -1.3807 4.3112 4.3112 4.3384 4.3384 4.4258 4.4258 4.5371 4.5371 5.2556 5.2556 5.5050 5.5050 5.8586 5.8586 6.2165 6.2165 6.9152 6.9152 6.9995 6.9995 8.6368 8.6368 8.6642 8.6642 8.9715 8.9715 8.9889 8.9889 9.1096 9.1096 9.1153 9.1153 10.2726 10.2726 10.3124 10.3124 10.9377 10.9377 11.1816 11.1816 k = 0.5000 0.3604 0.0118 ( 4608 PWs) bands (ev): -2.3409 -2.3409 -2.3382 -2.3382 -1.3844 -1.3844 -1.3809 -1.3809 4.3073 4.3073 4.3303 4.3303 4.4183 4.4183 4.5262 4.5262 5.2718 5.2718 5.5163 5.5163 5.8643 5.8643 6.2205 6.2205 6.9159 6.9159 7.0000 7.0000 8.6372 8.6372 8.6644 8.6644 8.9713 8.9713 8.9882 8.9882 9.1095 9.1095 9.1153 9.1153 10.2733 10.2733 10.3129 10.3129 10.9370 10.9370 11.1807 11.1807 k = 0.5000 0.3604 0.0236 ( 4608 PWs) bands (ev): -2.3397 -2.3397 -2.3370 -2.3370 -1.3848 -1.3848 -1.3813 -1.3813 4.2945 4.2945 4.3081 4.3081 4.3954 4.3954 4.4972 4.4972 5.3174 5.3174 5.5494 5.5494 5.8811 5.8811 6.2322 6.2322 6.9179 6.9179 7.0018 7.0018 8.6384 8.6384 8.6651 8.6651 8.9708 8.9708 8.9863 8.9863 9.1093 9.1093 9.1152 9.1152 10.2756 10.2756 10.3146 10.3146 10.9350 10.9350 11.1779 11.1779 k = 0.5000 0.3604 0.0355 ( 4612 PWs) bands (ev): -2.3376 -2.3376 -2.3350 -2.3350 -1.3855 -1.3855 -1.3820 -1.3820 4.2646 4.2646 4.2833 4.2833 4.3569 4.3569 4.4581 4.4581 5.3853 5.3853 5.6015 5.6015 5.9081 5.9081 6.2513 6.2513 6.9213 6.9213 7.0047 7.0047 8.6403 8.6403 8.6662 8.6662 8.9699 8.9699 8.9832 8.9832 9.1089 9.1089 9.1152 9.1152 10.2794 10.2794 10.3174 10.3174 10.9316 10.9316 11.1732 11.1732 k = 0.5000 0.3604 0.0473 ( 4616 PWs) bands (ev): -2.3348 -2.3348 -2.3322 -2.3322 -1.3864 -1.3864 -1.3830 -1.3830 4.2185 4.2185 4.2585 4.2585 4.3045 4.3045 4.4149 4.4149 5.4689 5.4689 5.6694 5.6694 5.9440 5.9440 6.2769 6.2769 6.9262 6.9262 7.0087 7.0087 8.6429 8.6429 8.6677 8.6677 8.9688 8.9688 8.9790 8.9790 9.1085 9.1085 9.1151 9.1151 10.2848 10.2848 10.3215 10.3215 10.9268 10.9268 11.1666 11.1666 k = 0.5000 0.3604 0.0591 ( 4608 PWs) bands (ev): -2.3313 -2.3313 -2.3287 -2.3287 -1.3876 -1.3876 -1.3842 -1.3842 4.1646 4.1646 4.2295 4.2295 4.2427 4.2427 4.3694 4.3694 5.5633 5.5633 5.7498 5.7498 5.9873 5.9873 6.3080 6.3080 6.9325 6.9325 7.0140 7.0140 8.6461 8.6461 8.6694 8.6694 8.9674 8.9674 8.9738 8.9738 9.1080 9.1080 9.1151 9.1151 10.2921 10.2921 10.3270 10.3270 10.9207 10.9207 11.1580 11.1580 k = 0.5000 0.3604 0.0709 ( 4612 PWs) bands (ev): -2.3270 -2.3270 -2.3245 -2.3245 -1.3891 -1.3891 -1.3858 -1.3858 4.1061 4.1061 4.1757 4.1757 4.1962 4.1962 4.3219 4.3219 5.6652 5.6652 5.8400 5.8400 6.0366 6.0366 6.3437 6.3437 6.9405 6.9405 7.0204 7.0204 8.6497 8.6497 8.6712 8.6712 8.9658 8.9658 8.9676 8.9676 9.1074 9.1074 9.1151 9.1151 10.3012 10.3012 10.3340 10.3340 10.9131 10.9131 11.1473 11.1473 k = 0.5000 0.3604 0.0828 ( 4616 PWs) bands (ev): -2.3221 -2.3221 -2.3196 -2.3196 -1.3908 -1.3908 -1.3876 -1.3876 4.0455 4.0455 4.1069 4.1069 4.1595 4.1595 4.2724 4.2724 5.7722 5.7722 5.9377 5.9377 6.0904 6.0904 6.3826 6.3826 6.9501 6.9501 7.0280 7.0280 8.6534 8.6534 8.6730 8.6730 8.9608 8.9608 8.9643 8.9643 9.1069 9.1069 9.1150 9.1150 10.3124 10.3124 10.3426 10.3426 10.9040 10.9040 11.1346 11.1346 k = 0.5000 0.3604 0.0946 ( 4604 PWs) bands (ev): -2.3166 -2.3166 -2.3141 -2.3141 -1.3927 -1.3927 -1.3896 -1.3896 3.9842 3.9842 4.0383 4.0383 4.1201 4.1201 4.2215 4.2215 5.8826 5.8826 6.0411 6.0411 6.1477 6.1477 6.4237 6.4237 6.9618 6.9618 7.0369 7.0369 8.6570 8.6570 8.6744 8.6744 8.9536 8.9536 8.9629 8.9629 9.1064 9.1064 9.1150 9.1150 10.3259 10.3259 10.3531 10.3531 10.8936 10.8936 11.1198 11.1198 k = 0.5000 0.3604 0.1064 ( 4608 PWs) bands (ev): -2.3105 -2.3105 -2.3081 -2.3081 -1.3949 -1.3949 -1.3919 -1.3919 3.9234 3.9234 3.9710 3.9710 4.0789 4.0789 4.1697 4.1697 5.9945 5.9945 6.1486 6.1486 6.2078 6.2078 6.4657 6.4657 6.9755 6.9755 7.0469 7.0469 8.6598 8.6598 8.6751 8.6751 8.9464 8.9464 8.9617 8.9617 9.1058 9.1058 9.1150 9.1150 10.3419 10.3419 10.3657 10.3657 10.8817 10.8817 11.1027 11.1027 k = 0.5000 0.3604 0.1182 ( 4604 PWs) bands (ev): -2.3039 -2.3039 -2.3016 -2.3016 -1.3973 -1.3973 -1.3945 -1.3945 3.8640 3.8640 3.9060 3.9060 4.0366 4.0366 4.1178 4.1178 6.1058 6.1058 6.2588 6.2588 6.2711 6.2711 6.5077 6.5077 6.9916 6.9916 7.0583 7.0583 8.6613 8.6613 8.6748 8.6748 8.9396 8.9396 8.9610 8.9610 9.1055 9.1055 9.1150 9.1150 10.3604 10.3604 10.3806 10.3806 10.8687 10.8687 11.0836 11.0836 k = 0.5000 0.3604 0.1301 ( 4596 PWs) bands (ev): -2.2970 -2.2970 -2.2948 -2.2948 -1.3999 -1.3999 -1.3972 -1.3972 3.8067 3.8067 3.8438 3.8438 3.9938 3.9938 4.0662 4.0662 6.2120 6.2120 6.3399 6.3399 6.3703 6.3703 6.5489 6.5489 7.0106 7.0106 7.0711 7.0711 8.6609 8.6609 8.6731 8.6731 8.9338 8.9338 8.9610 8.9610 9.1052 9.1052 9.1151 9.1151 10.3818 10.3818 10.3980 10.3980 10.8546 10.8546 11.0624 11.0624 k = 0.5000 0.3604 0.1419 ( 4588 PWs) bands (ev): -2.2897 -2.2897 -2.2876 -2.2876 -1.4027 -1.4027 -1.4001 -1.4001 3.7521 3.7521 3.7848 3.7848 3.9513 3.9513 4.0157 4.0157 6.3054 6.3054 6.4207 6.4207 6.4807 6.4807 6.5894 6.5894 7.0329 7.0329 7.0854 7.0854 8.6576 8.6576 8.6694 8.6694 8.9297 8.9297 8.9618 8.9618 9.1051 9.1051 9.1152 9.1152 10.4061 10.4061 10.4180 10.4180 10.8397 10.8397 11.0394 11.0394 k = 0.5000 0.3604 0.1537 ( 4584 PWs) bands (ev): -2.2822 -2.2822 -2.2802 -2.2802 -1.4056 -1.4056 -1.4032 -1.4032 3.7004 3.7004 3.7293 3.7293 3.9095 3.9095 3.9666 3.9666 6.3801 6.3801 6.5174 6.5174 6.5815 6.5815 6.6352 6.6352 7.0593 7.0593 7.1015 7.1015 8.6505 8.6505 8.6633 8.6633 8.9277 8.9277 8.9637 8.9637 9.1051 9.1051 9.1152 9.1152 10.4332 10.4332 10.4409 10.4409 10.8248 10.8248 11.0149 11.0149 k = 0.5000 0.3604 0.1655 ( 4600 PWs) bands (ev): -2.2747 -2.2747 -2.2728 -2.2728 -1.4086 -1.4086 -1.4064 -1.4064 3.6520 3.6520 3.6776 3.6776 3.8690 3.8690 3.9194 3.9194 6.4408 6.4408 6.6238 6.6238 6.6405 6.6405 6.7159 6.7159 7.0911 7.0911 7.1199 7.1199 8.6389 8.6389 8.6542 8.6542 8.9282 8.9282 8.9665 8.9665 9.1052 9.1052 9.1153 9.1153 10.4627 10.4627 10.4665 10.4665 10.8105 10.8105 10.9893 10.9893 k = 0.5000 0.3604 0.1774 ( 4604 PWs) bands (ev): -2.2671 -2.2671 -2.2653 -2.2653 -1.4117 -1.4117 -1.4097 -1.4097 3.6072 3.6072 3.6297 3.6297 3.8301 3.8301 3.8745 3.8745 6.4930 6.4930 6.6732 6.6732 6.7320 6.7320 6.8122 6.8122 7.1307 7.1307 7.1415 7.1415 8.6225 8.6225 8.6418 8.6418 8.9313 8.9313 8.9704 8.9704 9.1056 9.1056 9.1154 9.1154 10.4938 10.4938 10.4947 10.4947 10.7984 10.7984 10.9636 10.9636 k = 0.5000 0.3604 0.1892 ( 4592 PWs) bands (ev): -2.2596 -2.2596 -2.2580 -2.2580 -1.4148 -1.4148 -1.4129 -1.4129 3.5661 3.5661 3.5859 3.5859 3.7934 3.7934 3.8322 3.8322 6.5392 6.5392 6.6989 6.6989 6.8366 6.8366 6.8998 6.8998 7.1683 7.1683 7.1817 7.1817 8.6011 8.6011 8.6259 8.6259 8.9368 8.9368 8.9753 8.9753 9.1062 9.1062 9.1156 9.1156 10.5247 10.5247 10.5248 10.5248 10.7909 10.7909 10.9390 10.9390 k = 0.5000 0.3604 0.2010 ( 4588 PWs) bands (ev): -2.2524 -2.2524 -2.2509 -2.2509 -1.4179 -1.4179 -1.4162 -1.4162 3.5288 3.5288 3.5461 3.5461 3.7591 3.7591 3.7928 3.7928 6.5805 6.5805 6.7201 6.7201 6.9314 6.9314 6.9715 6.9715 7.2043 7.2043 7.2477 7.2477 8.5746 8.5746 8.6059 8.6059 8.9441 8.9441 8.9807 8.9807 9.1070 9.1070 9.1158 9.1158 10.5520 10.5520 10.5555 10.5555 10.7919 10.7919 10.9175 10.9175 k = 0.5000 0.3604 0.2128 ( 4588 PWs) bands (ev): -2.2455 -2.2455 -2.2441 -2.2441 -1.4208 -1.4208 -1.4193 -1.4193 3.4954 3.4954 3.5104 3.5104 3.7276 3.7276 3.7567 3.7567 6.6171 6.6171 6.7376 6.7376 7.0092 7.0092 7.0259 7.0259 7.2555 7.2555 7.3280 7.3280 8.5433 8.5433 8.5816 8.5816 8.9525 8.9525 8.9864 8.9864 9.1080 9.1080 9.1161 9.1161 10.5716 10.5716 10.5843 10.5843 10.8061 10.8061 10.9023 10.9023 k = 0.5000 0.3604 0.2247 ( 4588 PWs) bands (ev): -2.2390 -2.2390 -2.2378 -2.2378 -1.4236 -1.4236 -1.4223 -1.4223 3.4661 3.4661 3.4789 3.4789 3.6993 3.6993 3.7240 3.7240 6.6493 6.6493 6.7516 6.7516 7.0650 7.0650 7.0663 7.0663 7.3253 7.3253 7.4176 7.4176 8.5076 8.5076 8.5530 8.5530 8.9617 8.9617 8.9920 8.9920 9.1091 9.1091 9.1164 9.1164 10.5811 10.5811 10.6072 10.6072 10.8363 10.8363 10.8980 10.8980 k = 0.5000 0.3604 0.2365 ( 4588 PWs) bands (ev): -2.2332 -2.2332 -2.2321 -2.2321 -1.4262 -1.4262 -1.4251 -1.4251 3.4407 3.4407 3.4515 3.4515 3.6743 3.6743 3.6949 3.6949 6.6775 6.6775 6.7626 6.7626 7.0970 7.0970 7.1022 7.1022 7.4093 7.4093 7.5105 7.5105 8.4679 8.4679 8.5199 8.5199 8.9708 8.9708 8.9972 8.9972 9.1103 9.1103 9.1168 9.1168 10.5822 10.5822 10.6203 10.6203 10.8812 10.8812 10.9092 10.9092 k = 0.5000 0.3604 0.2483 ( 4588 PWs) bands (ev): -2.2280 -2.2280 -2.2271 -2.2271 -1.4285 -1.4285 -1.4276 -1.4276 3.4194 3.4194 3.4283 3.4283 3.6530 3.6530 3.6698 3.6698 6.7017 6.7017 6.7707 6.7707 7.1207 7.1207 7.1273 7.1273 7.4993 7.4993 7.6019 7.6019 8.4252 8.4252 8.4826 8.4826 8.9796 8.9796 9.0018 9.0018 9.1116 9.1116 9.1170 9.1170 10.5786 10.5786 10.6220 10.6220 10.9371 10.9371 10.9377 10.9377 k = 0.5000 0.3604 0.2601 ( 4576 PWs) bands (ev): -2.2236 -2.2236 -2.2229 -2.2229 -1.4305 -1.4305 -1.4297 -1.4297 3.4022 3.4022 3.4092 3.4092 3.6355 3.6355 3.6487 3.6487 6.7222 6.7222 6.7762 6.7762 7.1391 7.1391 7.1449 7.1449 7.5891 7.5891 7.6876 7.6876 8.3810 8.3810 8.4416 8.4416 8.9876 8.9876 9.0055 9.0055 9.1129 9.1129 9.1173 9.1173 10.5736 10.5736 10.6152 10.6152 10.9808 10.9808 11.0001 11.0001 k = 0.5000 0.3604 0.2720 ( 4568 PWs) bands (ev): -2.2200 -2.2200 -2.2195 -2.2195 -1.4320 -1.4320 -1.4315 -1.4315 3.3890 3.3890 3.3942 3.3942 3.6220 3.6220 3.6318 3.6318 6.7393 6.7393 6.7790 6.7790 7.1530 7.1530 7.1574 7.1574 7.6741 7.6741 7.7628 7.7628 8.3385 8.3385 8.3979 8.3979 8.9946 8.9946 9.0080 9.0080 9.1142 9.1142 9.1174 9.1174 10.5694 10.5694 10.6041 10.6041 11.0337 11.0337 11.0661 11.0661 k = 0.5000 0.3604 0.2838 ( 4564 PWs) bands (ev): -2.2174 -2.2174 -2.2171 -2.2171 -1.4331 -1.4331 -1.4328 -1.4328 3.3798 3.3798 3.3832 3.3832 3.6127 3.6127 3.6192 3.6192 6.7531 6.7531 6.7792 6.7792 7.1629 7.1629 7.1657 7.1657 7.7500 7.7500 7.8207 7.8207 8.3033 8.3033 8.3542 8.3542 9.0004 9.0004 9.0093 9.0093 9.1153 9.1153 9.1174 9.1174 10.5674 10.5674 10.5920 10.5920 11.0908 11.0908 11.1284 11.1284 k = 0.5000 0.3604 0.2956 ( 4576 PWs) bands (ev): -2.2158 -2.2158 -2.2156 -2.2156 -1.4338 -1.4338 -1.4336 -1.4336 3.3746 3.3746 3.3764 3.3764 3.6078 3.6078 3.6110 3.6110 6.7638 6.7638 6.7768 6.7768 7.1689 7.1689 7.1703 7.1703 7.8108 7.8108 7.8516 7.8516 8.2841 8.2841 8.3150 8.3150 9.0047 9.0047 9.0091 9.0091 9.1161 9.1161 9.1172 9.1172 10.5686 10.5686 10.5813 10.5813 11.1444 11.1444 11.1734 11.1734 k = 0.5000 0.3604 0.3074 ( 4576 PWs) bands (ev): -2.2152 -2.2152 -2.2152 -2.2152 -1.4339 -1.4339 -1.4339 -1.4339 3.3735 3.3735 3.3735 3.3735 3.6071 3.6071 3.6071 3.6071 6.7717 6.7717 6.7717 6.7717 7.1714 7.1714 7.1714 7.1714 7.8478 7.8478 7.8478 7.8478 8.2887 8.2887 8.2887 8.2887 9.0076 9.0076 9.0076 9.0076 9.1168 9.1168 9.1168 9.1168 10.5733 10.5733 10.5733 10.5733 11.1792 11.1792 11.1792 11.1792 Writing output data file FeTe2.save init_run : 0.24s CPU 0.40s WALL ( 1 calls) electrons : 197.51s CPU 200.67s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.09s WALL ( 1 calls) Called by electrons: c_bands : 197.51s CPU 200.66s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.08s CPU 0.10s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.08s CPU 0.07s WALL ( 400 calls) cegterg : 180.04s CPU 182.58s WALL ( 637 calls) Called by sum_band: Called by *egterg: h_psi : 99.63s CPU 101.63s WALL ( 10555 calls) s_psi : 10.35s CPU 10.57s WALL ( 10555 calls) g_psi : 0.32s CPU 0.34s WALL ( 9518 calls) cdiaghg : 60.86s CPU 61.55s WALL ( 9918 calls) cegterg:over : 7.60s CPU 7.70s WALL ( 9518 calls) cegterg:upda : 7.08s CPU 6.95s WALL ( 9518 calls) cegterg:last : 3.98s CPU 3.92s WALL ( 1792 calls) cdiaghg:chol : 3.44s CPU 3.47s WALL ( 9918 calls) cdiaghg:inve : 2.14s CPU 2.20s WALL ( 9918 calls) cdiaghg:para : 3.60s CPU 3.59s WALL ( 19836 calls) Called by h_psi: h_psi:vloc : 77.12s CPU 79.01s WALL ( 10555 calls) h_psi:vnl : 22.21s CPU 22.30s WALL ( 10555 calls) add_vuspsi : 12.66s CPU 12.45s WALL ( 10555 calls) General routines calbec : 9.52s CPU 9.82s WALL ( 10555 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 72.35s CPU 74.34s WALL ( 1033540 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.18s CPU 0.24s WALL ( 800 calls) Parallel routines fft_scatter : 30.46s CPU 30.98s WALL ( 1033563 calls) PWSCF : 3m36.46s CPU 3m53.90s WALL This run was terminated on: 18:16:23 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=