Program PWSCF v.5.1.1 starts on 19Jul2015 at 18:46:55 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./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: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 28 22 6 1114 752 120 Max 29 23 7 1119 764 125 Sum 1383 1069 315 53589 36407 5881 bravais-lattice index = 14 lattice parameter (alat) = 7.3302 a.u. unit-cell volume = 865.0423 (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)= 7.330247 celldm(2)= 1.358082 celldm(3)= 1.617169 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 1.358082 0.000000 ) a(3) = ( 0.000000 0.000000 1.617169 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.736333 -0.000000 ) b(3) = ( 0.000000 0.000000 0.618364 ) PseudoPot. # 1 for Fe read from file: /home/autes/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: /home/autes/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 ) ( -0.6790410 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.8085847 ) 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 ) ( -0.6790410 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -0.8085847 ) 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 ) ( -0.6790410 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -0.8085847 ) 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 ) ( -0.6790410 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.8085847 ) 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: E 1 C2 -C2 2 -2 C2' -C2' 3 -3 C2'' -C2'' 4 -4 i 5 s_v -s_v 6 -6 s_v'-s_v' 7 -7 s_v''-s_v' 8 -8 -E -1 -i -5 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 0.0122722 -0.0000000), wk = 0.0025000 k( 45) = ( 0.5000000 0.0245444 -0.0000000), wk = 0.0025000 k( 46) = ( 0.5000000 0.0368166 -0.0000000), wk = 0.0025000 k( 47) = ( 0.5000000 0.0490888 -0.0000000), wk = 0.0025000 k( 48) = ( 0.5000000 0.0613610 -0.0000000), wk = 0.0025000 k( 49) = ( 0.5000000 0.0736333 -0.0000000), wk = 0.0025000 k( 50) = ( 0.5000000 0.0859055 -0.0000000), wk = 0.0025000 k( 51) = ( 0.5000000 0.0981777 -0.0000000), wk = 0.0025000 k( 52) = ( 0.5000000 0.1104499 -0.0000000), wk = 0.0025000 k( 53) = ( 0.5000000 0.1227221 -0.0000000), wk = 0.0025000 k( 54) = ( 0.5000000 0.1349943 -0.0000000), wk = 0.0025000 k( 55) = ( 0.5000000 0.1472665 -0.0000000), wk = 0.0025000 k( 56) = ( 0.5000000 0.1595387 -0.0000000), wk = 0.0025000 k( 57) = ( 0.5000000 0.1718109 -0.0000000), wk = 0.0025000 k( 58) = ( 0.5000000 0.1840831 -0.0000000), wk = 0.0025000 k( 59) = ( 0.5000000 0.1963554 -0.0000000), wk = 0.0025000 k( 60) = ( 0.5000000 0.2086276 -0.0000000), wk = 0.0025000 k( 61) = ( 0.5000000 0.2208998 -0.0000000), wk = 0.0025000 k( 62) = ( 0.5000000 0.2331720 -0.0000000), wk = 0.0025000 k( 63) = ( 0.5000000 0.2454442 -0.0000000), wk = 0.0025000 k( 64) = ( 0.5000000 0.2577164 -0.0000000), wk = 0.0025000 k( 65) = ( 0.5000000 0.2699886 -0.0000000), wk = 0.0025000 k( 66) = ( 0.5000000 0.2822608 -0.0000000), wk = 0.0025000 k( 67) = ( 0.5000000 0.2945330 -0.0000000), wk = 0.0025000 k( 68) = ( 0.5000000 0.3068052 -0.0000000), wk = 0.0025000 k( 69) = ( 0.5000000 0.3190774 -0.0000000), wk = 0.0025000 k( 70) = ( 0.5000000 0.3313497 -0.0000000), wk = 0.0025000 k( 71) = ( 0.5000000 0.3436219 -0.0000000), wk = 0.0025000 k( 72) = ( 0.5000000 0.3558941 -0.0000000), wk = 0.0025000 k( 73) = ( 0.5000000 0.3681663 -0.0000000), wk = 0.0025000 k( 74) = ( 0.5000000 0.3681663 -0.0000000), wk = 0.0025000 k( 75) = ( 0.4878049 0.3681663 -0.0000000), wk = 0.0025000 k( 76) = ( 0.4756098 0.3681663 -0.0000000), wk = 0.0025000 k( 77) = ( 0.4634146 0.3681663 -0.0000000), wk = 0.0025000 k( 78) = ( 0.4512195 0.3681663 -0.0000000), wk = 0.0025000 k( 79) = ( 0.4390244 0.3681663 -0.0000000), wk = 0.0025000 k( 80) = ( 0.4268293 0.3681663 -0.0000000), wk = 0.0025000 k( 81) = ( 0.4146341 0.3681663 -0.0000000), wk = 0.0025000 k( 82) = ( 0.4024390 0.3681663 -0.0000000), wk = 0.0025000 k( 83) = ( 0.3902439 0.3681663 -0.0000000), wk = 0.0025000 k( 84) = ( 0.3780488 0.3681663 -0.0000000), wk = 0.0025000 k( 85) = ( 0.3658537 0.3681663 -0.0000000), wk = 0.0025000 k( 86) = ( 0.3536585 0.3681663 -0.0000000), wk = 0.0025000 k( 87) = ( 0.3414634 0.3681663 -0.0000000), wk = 0.0025000 k( 88) = ( 0.3292683 0.3681663 -0.0000000), wk = 0.0025000 k( 89) = ( 0.3170732 0.3681663 -0.0000000), wk = 0.0025000 k( 90) = ( 0.3048781 0.3681663 -0.0000000), wk = 0.0025000 k( 91) = ( 0.2926829 0.3681663 -0.0000000), wk = 0.0025000 k( 92) = ( 0.2804878 0.3681663 -0.0000000), wk = 0.0025000 k( 93) = ( 0.2682927 0.3681663 -0.0000000), wk = 0.0025000 k( 94) = ( 0.2560976 0.3681663 -0.0000000), wk = 0.0025000 k( 95) = ( 0.2439024 0.3681663 -0.0000000), wk = 0.0025000 k( 96) = ( 0.2317073 0.3681663 -0.0000000), wk = 0.0025000 k( 97) = ( 0.2195122 0.3681663 -0.0000000), wk = 0.0025000 k( 98) = ( 0.2073171 0.3681663 -0.0000000), wk = 0.0025000 k( 99) = ( 0.1951219 0.3681663 -0.0000000), wk = 0.0025000 k( 100) = ( 0.1829268 0.3681663 -0.0000000), wk = 0.0025000 k( 101) = ( 0.1707317 0.3681663 -0.0000000), wk = 0.0025000 k( 102) = ( 0.1585366 0.3681663 -0.0000000), wk = 0.0025000 k( 103) = ( 0.1463415 0.3681663 -0.0000000), wk = 0.0025000 k( 104) = ( 0.1341463 0.3681663 -0.0000000), wk = 0.0025000 k( 105) = ( 0.1219512 0.3681663 -0.0000000), wk = 0.0025000 k( 106) = ( 0.1097561 0.3681663 -0.0000000), wk = 0.0025000 k( 107) = ( 0.0975610 0.3681663 -0.0000000), wk = 0.0025000 k( 108) = ( 0.0853658 0.3681663 -0.0000000), wk = 0.0025000 k( 109) = ( 0.0731707 0.3681663 -0.0000000), wk = 0.0025000 k( 110) = ( 0.0609756 0.3681663 -0.0000000), wk = 0.0025000 k( 111) = ( 0.0487805 0.3681663 -0.0000000), wk = 0.0025000 k( 112) = ( 0.0365854 0.3681663 -0.0000000), wk = 0.0025000 k( 113) = ( 0.0243902 0.3681663 -0.0000000), wk = 0.0025000 k( 114) = ( 0.0121951 0.3681663 -0.0000000), wk = 0.0025000 k( 115) = ( 0.0000000 0.3681663 -0.0000000), wk = 0.0025000 k( 116) = ( 0.0000000 0.3681663 -0.0000000), wk = 0.0025000 k( 117) = ( 0.0000000 0.3558941 -0.0000000), wk = 0.0025000 k( 118) = ( 0.0000000 0.3436219 -0.0000000), wk = 0.0025000 k( 119) = ( 0.0000000 0.3313497 -0.0000000), wk = 0.0025000 k( 120) = ( 0.0000000 0.3190774 -0.0000000), wk = 0.0025000 k( 121) = ( 0.0000000 0.3068052 -0.0000000), wk = 0.0025000 k( 122) = ( 0.0000000 0.2945330 -0.0000000), wk = 0.0025000 k( 123) = ( 0.0000000 0.2822608 -0.0000000), wk = 0.0025000 k( 124) = ( 0.0000000 0.2699886 -0.0000000), wk = 0.0025000 k( 125) = ( 0.0000000 0.2577164 -0.0000000), wk = 0.0025000 k( 126) = ( 0.0000000 0.2454442 -0.0000000), wk = 0.0025000 k( 127) = ( 0.0000000 0.2331720 -0.0000000), wk = 0.0025000 k( 128) = ( 0.0000000 0.2208998 -0.0000000), wk = 0.0025000 k( 129) = ( 0.0000000 0.2086276 -0.0000000), wk = 0.0025000 k( 130) = ( 0.0000000 0.1963554 -0.0000000), wk = 0.0025000 k( 131) = ( 0.0000000 0.1840831 -0.0000000), wk = 0.0025000 k( 132) = ( 0.0000000 0.1718109 -0.0000000), wk = 0.0025000 k( 133) = ( 0.0000000 0.1595387 -0.0000000), wk = 0.0025000 k( 134) = ( 0.0000000 0.1472665 -0.0000000), wk = 0.0025000 k( 135) = ( 0.0000000 0.1349943 -0.0000000), wk = 0.0025000 k( 136) = ( 0.0000000 0.1227221 -0.0000000), wk = 0.0025000 k( 137) = ( 0.0000000 0.1104499 -0.0000000), wk = 0.0025000 k( 138) = ( 0.0000000 0.0981777 -0.0000000), wk = 0.0025000 k( 139) = ( 0.0000000 0.0859055 -0.0000000), wk = 0.0025000 k( 140) = ( 0.0000000 0.0736333 -0.0000000), wk = 0.0025000 k( 141) = ( 0.0000000 0.0613610 -0.0000000), wk = 0.0025000 k( 142) = ( 0.0000000 0.0490888 -0.0000000), wk = 0.0025000 k( 143) = ( 0.0000000 0.0368166 -0.0000000), wk = 0.0025000 k( 144) = ( 0.0000000 0.0245444 -0.0000000), wk = 0.0025000 k( 145) = ( 0.0000000 0.0122722 -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 0.0118916), wk = 0.0025000 k( 149) = ( 0.0000000 0.0000000 0.0237832), wk = 0.0025000 k( 150) = ( 0.0000000 0.0000000 0.0356749), wk = 0.0025000 k( 151) = ( 0.0000000 0.0000000 0.0475665), wk = 0.0025000 k( 152) = ( 0.0000000 0.0000000 0.0594581), wk = 0.0025000 k( 153) = ( 0.0000000 0.0000000 0.0713497), wk = 0.0025000 k( 154) = ( 0.0000000 0.0000000 0.0832414), wk = 0.0025000 k( 155) = ( 0.0000000 0.0000000 0.0951330), wk = 0.0025000 k( 156) = ( 0.0000000 0.0000000 0.1070246), wk = 0.0025000 k( 157) = ( 0.0000000 0.0000000 0.1189162), wk = 0.0025000 k( 158) = ( 0.0000000 0.0000000 0.1308079), wk = 0.0025000 k( 159) = ( 0.0000000 0.0000000 0.1426995), wk = 0.0025000 k( 160) = ( 0.0000000 0.0000000 0.1545911), wk = 0.0025000 k( 161) = ( 0.0000000 0.0000000 0.1664827), wk = 0.0025000 k( 162) = ( 0.0000000 0.0000000 0.1783744), wk = 0.0025000 k( 163) = ( 0.0000000 0.0000000 0.1902660), wk = 0.0025000 k( 164) = ( 0.0000000 0.0000000 0.2021576), wk = 0.0025000 k( 165) = ( 0.0000000 0.0000000 0.2140492), wk = 0.0025000 k( 166) = ( 0.0000000 0.0000000 0.2259408), wk = 0.0025000 k( 167) = ( 0.0000000 0.0000000 0.2378325), wk = 0.0025000 k( 168) = ( 0.0000000 0.0000000 0.2497241), wk = 0.0025000 k( 169) = ( 0.0000000 0.0000000 0.2616157), wk = 0.0025000 k( 170) = ( 0.0000000 0.0000000 0.2735073), wk = 0.0025000 k( 171) = ( 0.0000000 0.0000000 0.2853990), wk = 0.0025000 k( 172) = ( 0.0000000 0.0000000 0.2972906), wk = 0.0025000 k( 173) = ( 0.0000000 0.0000000 0.3091822), wk = 0.0025000 k( 174) = ( 0.0000000 0.0000000 0.3091822), wk = 0.0025000 k( 175) = ( 0.0121951 -0.0000000 0.3091822), wk = 0.0025000 k( 176) = ( 0.0243902 -0.0000000 0.3091822), wk = 0.0025000 k( 177) = ( 0.0365854 -0.0000000 0.3091822), wk = 0.0025000 k( 178) = ( 0.0487805 -0.0000000 0.3091822), wk = 0.0025000 k( 179) = ( 0.0609756 -0.0000000 0.3091822), wk = 0.0025000 k( 180) = ( 0.0731707 -0.0000000 0.3091822), wk = 0.0025000 k( 181) = ( 0.0853658 -0.0000000 0.3091822), wk = 0.0025000 k( 182) = ( 0.0975610 -0.0000000 0.3091822), wk = 0.0025000 k( 183) = ( 0.1097561 -0.0000000 0.3091822), wk = 0.0025000 k( 184) = ( 0.1219512 -0.0000000 0.3091822), wk = 0.0025000 k( 185) = ( 0.1341463 -0.0000000 0.3091822), wk = 0.0025000 k( 186) = ( 0.1463415 -0.0000000 0.3091822), wk = 0.0025000 k( 187) = ( 0.1585366 -0.0000000 0.3091822), wk = 0.0025000 k( 188) = ( 0.1707317 -0.0000000 0.3091822), wk = 0.0025000 k( 189) = ( 0.1829268 -0.0000000 0.3091822), wk = 0.0025000 k( 190) = ( 0.1951219 -0.0000000 0.3091822), wk = 0.0025000 k( 191) = ( 0.2073171 -0.0000000 0.3091822), wk = 0.0025000 k( 192) = ( 0.2195122 -0.0000000 0.3091822), wk = 0.0025000 k( 193) = ( 0.2317073 -0.0000000 0.3091822), wk = 0.0025000 k( 194) = ( 0.2439024 -0.0000000 0.3091822), wk = 0.0025000 k( 195) = ( 0.2560976 -0.0000000 0.3091822), wk = 0.0025000 k( 196) = ( 0.2682927 -0.0000000 0.3091822), wk = 0.0025000 k( 197) = ( 0.2804878 -0.0000000 0.3091822), wk = 0.0025000 k( 198) = ( 0.2926829 -0.0000000 0.3091822), wk = 0.0025000 k( 199) = ( 0.3048781 -0.0000000 0.3091822), wk = 0.0025000 k( 200) = ( 0.3170732 -0.0000000 0.3091822), wk = 0.0025000 k( 201) = ( 0.3292683 -0.0000000 0.3091822), wk = 0.0025000 k( 202) = ( 0.3414634 -0.0000000 0.3091822), wk = 0.0025000 k( 203) = ( 0.3536585 -0.0000000 0.3091822), wk = 0.0025000 k( 204) = ( 0.3658537 -0.0000000 0.3091822), wk = 0.0025000 k( 205) = ( 0.3780488 -0.0000000 0.3091822), wk = 0.0025000 k( 206) = ( 0.3902439 -0.0000000 0.3091822), wk = 0.0025000 k( 207) = ( 0.4024390 -0.0000000 0.3091822), wk = 0.0025000 k( 208) = ( 0.4146341 -0.0000000 0.3091822), wk = 0.0025000 k( 209) = ( 0.4268293 -0.0000000 0.3091822), wk = 0.0025000 k( 210) = ( 0.4390244 -0.0000000 0.3091822), wk = 0.0025000 k( 211) = ( 0.4512195 -0.0000000 0.3091822), wk = 0.0025000 k( 212) = ( 0.4634146 -0.0000000 0.3091822), wk = 0.0025000 k( 213) = ( 0.4756098 -0.0000000 0.3091822), wk = 0.0025000 k( 214) = ( 0.4878049 -0.0000000 0.3091822), wk = 0.0025000 k( 215) = ( 0.5000000 -0.0000000 0.3091822), wk = 0.0025000 k( 216) = ( 0.5000000 -0.0000000 0.3091822), wk = 0.0025000 k( 217) = ( 0.5000000 0.0122722 0.3091822), wk = 0.0025000 k( 218) = ( 0.5000000 0.0245444 0.3091822), wk = 0.0025000 k( 219) = ( 0.5000000 0.0368166 0.3091822), wk = 0.0025000 k( 220) = ( 0.5000000 0.0490888 0.3091822), wk = 0.0025000 k( 221) = ( 0.5000000 0.0613610 0.3091822), wk = 0.0025000 k( 222) = ( 0.5000000 0.0736333 0.3091822), wk = 0.0025000 k( 223) = ( 0.5000000 0.0859055 0.3091822), wk = 0.0025000 k( 224) = ( 0.5000000 0.0981777 0.3091822), wk = 0.0025000 k( 225) = ( 0.5000000 0.1104499 0.3091822), wk = 0.0025000 k( 226) = ( 0.5000000 0.1227221 0.3091822), wk = 0.0025000 k( 227) = ( 0.5000000 0.1349943 0.3091822), wk = 0.0025000 k( 228) = ( 0.5000000 0.1472665 0.3091822), wk = 0.0025000 k( 229) = ( 0.5000000 0.1595387 0.3091822), wk = 0.0025000 k( 230) = ( 0.5000000 0.1718109 0.3091822), wk = 0.0025000 k( 231) = ( 0.5000000 0.1840831 0.3091822), wk = 0.0025000 k( 232) = ( 0.5000000 0.1963554 0.3091822), wk = 0.0025000 k( 233) = ( 0.5000000 0.2086276 0.3091822), wk = 0.0025000 k( 234) = ( 0.5000000 0.2208998 0.3091822), wk = 0.0025000 k( 235) = ( 0.5000000 0.2331720 0.3091822), wk = 0.0025000 k( 236) = ( 0.5000000 0.2454442 0.3091822), wk = 0.0025000 k( 237) = ( 0.5000000 0.2577164 0.3091822), wk = 0.0025000 k( 238) = ( 0.5000000 0.2699886 0.3091822), wk = 0.0025000 k( 239) = ( 0.5000000 0.2822608 0.3091822), wk = 0.0025000 k( 240) = ( 0.5000000 0.2945330 0.3091822), wk = 0.0025000 k( 241) = ( 0.5000000 0.3068052 0.3091822), wk = 0.0025000 k( 242) = ( 0.5000000 0.3190774 0.3091822), wk = 0.0025000 k( 243) = ( 0.5000000 0.3313497 0.3091822), wk = 0.0025000 k( 244) = ( 0.5000000 0.3436219 0.3091822), wk = 0.0025000 k( 245) = ( 0.5000000 0.3558941 0.3091822), wk = 0.0025000 k( 246) = ( 0.5000000 0.3681663 0.3091822), wk = 0.0025000 k( 247) = ( 0.5000000 0.3681663 0.3091822), wk = 0.0025000 k( 248) = ( 0.4878049 0.3681663 0.3091822), wk = 0.0025000 k( 249) = ( 0.4756098 0.3681663 0.3091822), wk = 0.0025000 k( 250) = ( 0.4634146 0.3681663 0.3091822), wk = 0.0025000 k( 251) = ( 0.4512195 0.3681663 0.3091822), wk = 0.0025000 k( 252) = ( 0.4390244 0.3681663 0.3091822), wk = 0.0025000 k( 253) = ( 0.4268293 0.3681663 0.3091822), wk = 0.0025000 k( 254) = ( 0.4146341 0.3681663 0.3091822), wk = 0.0025000 k( 255) = ( 0.4024390 0.3681663 0.3091822), wk = 0.0025000 k( 256) = ( 0.3902439 0.3681663 0.3091822), wk = 0.0025000 k( 257) = ( 0.3780488 0.3681663 0.3091822), wk = 0.0025000 k( 258) = ( 0.3658537 0.3681663 0.3091822), wk = 0.0025000 k( 259) = ( 0.3536585 0.3681663 0.3091822), wk = 0.0025000 k( 260) = ( 0.3414634 0.3681663 0.3091822), wk = 0.0025000 k( 261) = ( 0.3292683 0.3681663 0.3091822), wk = 0.0025000 k( 262) = ( 0.3170732 0.3681663 0.3091822), wk = 0.0025000 k( 263) = ( 0.3048781 0.3681663 0.3091822), wk = 0.0025000 k( 264) = ( 0.2926829 0.3681663 0.3091822), wk = 0.0025000 k( 265) = ( 0.2804878 0.3681663 0.3091822), wk = 0.0025000 k( 266) = ( 0.2682927 0.3681663 0.3091822), wk = 0.0025000 k( 267) = ( 0.2560976 0.3681663 0.3091822), wk = 0.0025000 k( 268) = ( 0.2439024 0.3681663 0.3091822), wk = 0.0025000 k( 269) = ( 0.2317073 0.3681663 0.3091822), wk = 0.0025000 k( 270) = ( 0.2195122 0.3681663 0.3091822), wk = 0.0025000 k( 271) = ( 0.2073171 0.3681663 0.3091822), wk = 0.0025000 k( 272) = ( 0.1951219 0.3681663 0.3091822), wk = 0.0025000 k( 273) = ( 0.1829268 0.3681663 0.3091822), wk = 0.0025000 k( 274) = ( 0.1707317 0.3681663 0.3091822), wk = 0.0025000 k( 275) = ( 0.1585366 0.3681663 0.3091822), wk = 0.0025000 k( 276) = ( 0.1463415 0.3681663 0.3091822), wk = 0.0025000 k( 277) = ( 0.1341463 0.3681663 0.3091822), wk = 0.0025000 k( 278) = ( 0.1219512 0.3681663 0.3091822), wk = 0.0025000 k( 279) = ( 0.1097561 0.3681663 0.3091822), wk = 0.0025000 k( 280) = ( 0.0975610 0.3681663 0.3091822), wk = 0.0025000 k( 281) = ( 0.0853658 0.3681663 0.3091822), wk = 0.0025000 k( 282) = ( 0.0731707 0.3681663 0.3091822), wk = 0.0025000 k( 283) = ( 0.0609756 0.3681663 0.3091822), wk = 0.0025000 k( 284) = ( 0.0487805 0.3681663 0.3091822), wk = 0.0025000 k( 285) = ( 0.0365854 0.3681663 0.3091822), wk = 0.0025000 k( 286) = ( 0.0243902 0.3681663 0.3091822), wk = 0.0025000 k( 287) = ( 0.0121951 0.3681663 0.3091822), wk = 0.0025000 k( 288) = ( 0.0000000 0.3681663 0.3091822), wk = 0.0025000 k( 289) = ( 0.0000000 0.3681663 0.3091822), wk = 0.0025000 k( 290) = ( 0.0000000 0.3558941 0.3091822), wk = 0.0025000 k( 291) = ( 0.0000000 0.3436219 0.3091822), wk = 0.0025000 k( 292) = ( 0.0000000 0.3313497 0.3091822), wk = 0.0025000 k( 293) = ( 0.0000000 0.3190774 0.3091822), wk = 0.0025000 k( 294) = ( 0.0000000 0.3068052 0.3091822), wk = 0.0025000 k( 295) = ( 0.0000000 0.2945330 0.3091822), wk = 0.0025000 k( 296) = ( 0.0000000 0.2822608 0.3091822), wk = 0.0025000 k( 297) = ( 0.0000000 0.2699886 0.3091822), wk = 0.0025000 k( 298) = ( 0.0000000 0.2577164 0.3091822), wk = 0.0025000 k( 299) = ( 0.0000000 0.2454442 0.3091822), wk = 0.0025000 k( 300) = ( 0.0000000 0.2331720 0.3091822), wk = 0.0025000 k( 301) = ( 0.0000000 0.2208998 0.3091822), wk = 0.0025000 k( 302) = ( 0.0000000 0.2086276 0.3091822), wk = 0.0025000 k( 303) = ( 0.0000000 0.1963554 0.3091822), wk = 0.0025000 k( 304) = ( 0.0000000 0.1840831 0.3091822), wk = 0.0025000 k( 305) = ( 0.0000000 0.1718109 0.3091822), wk = 0.0025000 k( 306) = ( 0.0000000 0.1595387 0.3091822), wk = 0.0025000 k( 307) = ( 0.0000000 0.1472665 0.3091822), wk = 0.0025000 k( 308) = ( 0.0000000 0.1349943 0.3091822), wk = 0.0025000 k( 309) = ( 0.0000000 0.1227221 0.3091822), wk = 0.0025000 k( 310) = ( 0.0000000 0.1104499 0.3091822), wk = 0.0025000 k( 311) = ( 0.0000000 0.0981777 0.3091822), wk = 0.0025000 k( 312) = ( 0.0000000 0.0859055 0.3091822), wk = 0.0025000 k( 313) = ( 0.0000000 0.0736333 0.3091822), wk = 0.0025000 k( 314) = ( 0.0000000 0.0613610 0.3091822), wk = 0.0025000 k( 315) = ( 0.0000000 0.0490888 0.3091822), wk = 0.0025000 k( 316) = ( 0.0000000 0.0368166 0.3091822), wk = 0.0025000 k( 317) = ( 0.0000000 0.0245444 0.3091822), wk = 0.0025000 k( 318) = ( 0.0000000 0.0122722 0.3091822), wk = 0.0025000 k( 319) = ( 0.0000000 0.0000000 0.3091822), wk = 0.0025000 k( 320) = ( 0.0000000 0.3681663 -0.0000000), wk = 0.0025000 k( 321) = ( 0.0000000 0.3681663 0.0118916), wk = 0.0025000 k( 322) = ( 0.0000000 0.3681663 0.0237832), wk = 0.0025000 k( 323) = ( 0.0000000 0.3681663 0.0356749), wk = 0.0025000 k( 324) = ( 0.0000000 0.3681663 0.0475665), wk = 0.0025000 k( 325) = ( 0.0000000 0.3681663 0.0594581), wk = 0.0025000 k( 326) = ( 0.0000000 0.3681663 0.0713497), wk = 0.0025000 k( 327) = ( 0.0000000 0.3681663 0.0832414), wk = 0.0025000 k( 328) = ( 0.0000000 0.3681663 0.0951330), wk = 0.0025000 k( 329) = ( 0.0000000 0.3681663 0.1070246), wk = 0.0025000 k( 330) = ( 0.0000000 0.3681663 0.1189162), wk = 0.0025000 k( 331) = ( 0.0000000 0.3681663 0.1308079), wk = 0.0025000 k( 332) = ( 0.0000000 0.3681663 0.1426995), wk = 0.0025000 k( 333) = ( 0.0000000 0.3681663 0.1545911), wk = 0.0025000 k( 334) = ( 0.0000000 0.3681663 0.1664827), wk = 0.0025000 k( 335) = ( 0.0000000 0.3681663 0.1783744), wk = 0.0025000 k( 336) = ( 0.0000000 0.3681663 0.1902660), wk = 0.0025000 k( 337) = ( 0.0000000 0.3681663 0.2021576), wk = 0.0025000 k( 338) = ( 0.0000000 0.3681663 0.2140492), wk = 0.0025000 k( 339) = ( 0.0000000 0.3681663 0.2259408), wk = 0.0025000 k( 340) = ( 0.0000000 0.3681663 0.2378325), wk = 0.0025000 k( 341) = ( 0.0000000 0.3681663 0.2497241), wk = 0.0025000 k( 342) = ( 0.0000000 0.3681663 0.2616157), wk = 0.0025000 k( 343) = ( 0.0000000 0.3681663 0.2735073), wk = 0.0025000 k( 344) = ( 0.0000000 0.3681663 0.2853990), wk = 0.0025000 k( 345) = ( 0.0000000 0.3681663 0.2972906), wk = 0.0025000 k( 346) = ( 0.0000000 0.3681663 0.3091822), wk = 0.0025000 k( 347) = ( 0.5000000 -0.0000000 0.3091822), wk = 0.0025000 k( 348) = ( 0.5000000 -0.0000000 0.2972906), wk = 0.0025000 k( 349) = ( 0.5000000 -0.0000000 0.2853990), wk = 0.0025000 k( 350) = ( 0.5000000 -0.0000000 0.2735073), wk = 0.0025000 k( 351) = ( 0.5000000 -0.0000000 0.2616157), wk = 0.0025000 k( 352) = ( 0.5000000 -0.0000000 0.2497241), wk = 0.0025000 k( 353) = ( 0.5000000 -0.0000000 0.2378325), wk = 0.0025000 k( 354) = ( 0.5000000 -0.0000000 0.2259408), wk = 0.0025000 k( 355) = ( 0.5000000 -0.0000000 0.2140492), wk = 0.0025000 k( 356) = ( 0.5000000 -0.0000000 0.2021576), wk = 0.0025000 k( 357) = ( 0.5000000 -0.0000000 0.1902660), wk = 0.0025000 k( 358) = ( 0.5000000 -0.0000000 0.1783744), wk = 0.0025000 k( 359) = ( 0.5000000 -0.0000000 0.1664827), wk = 0.0025000 k( 360) = ( 0.5000000 -0.0000000 0.1545911), wk = 0.0025000 k( 361) = ( 0.5000000 -0.0000000 0.1426995), wk = 0.0025000 k( 362) = ( 0.5000000 -0.0000000 0.1308079), wk = 0.0025000 k( 363) = ( 0.5000000 -0.0000000 0.1189162), wk = 0.0025000 k( 364) = ( 0.5000000 -0.0000000 0.1070246), wk = 0.0025000 k( 365) = ( 0.5000000 -0.0000000 0.0951330), wk = 0.0025000 k( 366) = ( 0.5000000 -0.0000000 0.0832414), wk = 0.0025000 k( 367) = ( 0.5000000 -0.0000000 0.0713497), wk = 0.0025000 k( 368) = ( 0.5000000 -0.0000000 0.0594581), wk = 0.0025000 k( 369) = ( 0.5000000 -0.0000000 0.0475665), wk = 0.0025000 k( 370) = ( 0.5000000 -0.0000000 0.0356749), wk = 0.0025000 k( 371) = ( 0.5000000 -0.0000000 0.0237832), wk = 0.0025000 k( 372) = ( 0.5000000 -0.0000000 0.0118916), wk = 0.0025000 k( 373) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0025000 k( 374) = ( 0.5000000 0.3681663 -0.0000000), wk = 0.0025000 k( 375) = ( 0.5000000 0.3681663 0.0118916), wk = 0.0025000 k( 376) = ( 0.5000000 0.3681663 0.0237832), wk = 0.0025000 k( 377) = ( 0.5000000 0.3681663 0.0356749), wk = 0.0025000 k( 378) = ( 0.5000000 0.3681663 0.0475665), wk = 0.0025000 k( 379) = ( 0.5000000 0.3681663 0.0594581), wk = 0.0025000 k( 380) = ( 0.5000000 0.3681663 0.0713497), wk = 0.0025000 k( 381) = ( 0.5000000 0.3681663 0.0832414), wk = 0.0025000 k( 382) = ( 0.5000000 0.3681663 0.0951330), wk = 0.0025000 k( 383) = ( 0.5000000 0.3681663 0.1070246), wk = 0.0025000 k( 384) = ( 0.5000000 0.3681663 0.1189162), wk = 0.0025000 k( 385) = ( 0.5000000 0.3681663 0.1308079), wk = 0.0025000 k( 386) = ( 0.5000000 0.3681663 0.1426995), wk = 0.0025000 k( 387) = ( 0.5000000 0.3681663 0.1545911), wk = 0.0025000 k( 388) = ( 0.5000000 0.3681663 0.1664827), wk = 0.0025000 k( 389) = ( 0.5000000 0.3681663 0.1783744), wk = 0.0025000 k( 390) = ( 0.5000000 0.3681663 0.1902660), wk = 0.0025000 k( 391) = ( 0.5000000 0.3681663 0.2021576), wk = 0.0025000 k( 392) = ( 0.5000000 0.3681663 0.2140492), wk = 0.0025000 k( 393) = ( 0.5000000 0.3681663 0.2259408), wk = 0.0025000 k( 394) = ( 0.5000000 0.3681663 0.2378325), wk = 0.0025000 k( 395) = ( 0.5000000 0.3681663 0.2497241), wk = 0.0025000 k( 396) = ( 0.5000000 0.3681663 0.2616157), wk = 0.0025000 k( 397) = ( 0.5000000 0.3681663 0.2735073), wk = 0.0025000 k( 398) = ( 0.5000000 0.3681663 0.2853990), wk = 0.0025000 k( 399) = ( 0.5000000 0.3681663 0.2972906), wk = 0.0025000 k( 400) = ( 0.5000000 0.3681663 0.3091822), 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 0.4038461), 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: 53589 G-vectors FFT dimensions: ( 36, 50, 60) Smooth grid: 36407 G-vectors FFT dimensions: ( 32, 45, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.14 Mb ( 192, 48) NL pseudopotentials 0.30 Mb ( 96, 204) Each V/rho on FFT grid 0.05 Mb ( 3600) Each G-vector array 0.01 Mb ( 1117) G-vector shells 0.00 Mb ( 573) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.56 Mb ( 192, 192) Each subspace H/S matrix 0.56 Mb ( 192, 192) 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 44.5 secs Computing kpt #: 2 total cpu time spent up to now is 47.7 secs Computing kpt #: 3 total cpu time spent up to now is 50.7 secs Computing kpt #: 4 total cpu time spent up to now is 53.5 secs Computing kpt #: 5 total cpu time spent up to now is 56.0 secs Computing kpt #: 6 total cpu time spent up to now is 58.3 secs Computing kpt #: 7 total cpu time spent up to now is 60.4 secs Computing kpt #: 8 total cpu time spent up to now is 62.3 secs Computing kpt #: 9 total cpu time spent up to now is 64.4 secs Computing kpt #: 10 total cpu time spent up to now is 66.7 secs Computing kpt #: 11 total cpu time spent up to now is 69.1 secs Computing kpt #: 12 total cpu time spent up to now is 71.2 secs Computing kpt #: 13 total cpu time spent up to now is 73.5 secs Computing kpt #: 14 total cpu time spent up to now is 75.9 secs Computing kpt #: 15 total cpu time spent up to now is 78.4 secs Computing kpt #: 16 total cpu time spent up to now is 81.1 secs Computing kpt #: 17 total cpu time spent up to now is 84.1 secs Computing kpt #: 18 total cpu time spent up to now is 86.8 secs Computing kpt #: 19 total cpu time spent up to now is 89.8 secs Computing kpt #: 20 total cpu time spent up to now is 92.5 secs Computing kpt #: 21 total cpu time spent up to now is 95.4 secs Computing kpt #: 22 total cpu time spent up to now is 98.1 secs Computing kpt #: 23 total cpu time spent up to now is 100.6 secs Computing kpt #: 24 total cpu time spent up to now is 103.1 secs Computing kpt #: 25 total cpu time spent up to now is 105.5 secs Computing kpt #: 26 total cpu time spent up to now is 108.0 secs Computing kpt #: 27 total cpu time spent up to now is 110.4 secs Computing kpt #: 28 total cpu time spent up to now is 113.2 secs Computing kpt #: 29 total cpu time spent up to now is 115.7 secs Computing kpt #: 30 total cpu time spent up to now is 118.1 secs Computing kpt #: 31 total cpu time spent up to now is 120.6 secs Computing kpt #: 32 total cpu time spent up to now is 123.1 secs Computing kpt #: 33 total cpu time spent up to now is 125.6 secs Computing kpt #: 34 total cpu time spent up to now is 127.9 secs Computing kpt #: 35 total cpu time spent up to now is 130.2 secs Computing kpt #: 36 total cpu time spent up to now is 132.5 secs Computing kpt #: 37 total cpu time spent up to now is 134.9 secs Computing kpt #: 38 total cpu time spent up to now is 137.3 secs Computing kpt #: 39 total cpu time spent up to now is 139.6 secs Computing kpt #: 40 total cpu time spent up to now is 141.7 secs Computing kpt #: 41 total cpu time spent up to now is 143.9 secs Computing kpt #: 42 total cpu time spent up to now is 145.9 secs Computing kpt #: 43 total cpu time spent up to now is 148.0 secs Computing kpt #: 44 total cpu time spent up to now is 150.1 secs Computing kpt #: 45 total cpu time spent up to now is 152.0 secs Computing kpt #: 46 total cpu time spent up to now is 153.8 secs Computing kpt #: 47 total cpu time spent up to now is 155.7 secs Computing kpt #: 48 total cpu time spent up to now is 157.7 secs Computing kpt #: 49 total cpu time spent up to now is 159.6 secs Computing kpt #: 50 total cpu time spent up to now is 161.6 secs Computing kpt #: 51 total cpu time spent up to now is 163.5 secs Computing kpt #: 52 total cpu time spent up to now is 165.2 secs Computing kpt #: 53 total cpu time spent up to now is 167.1 secs Computing kpt #: 54 total cpu time spent up to now is 168.8 secs Computing kpt #: 55 total cpu time spent up to now is 170.5 secs Computing kpt #: 56 total cpu time spent up to now is 172.3 secs Computing kpt #: 57 total cpu time spent up to now is 174.2 secs Computing kpt #: 58 total cpu time spent up to now is 175.9 secs Computing kpt #: 59 total cpu time spent up to now is 177.7 secs Computing kpt #: 60 total cpu time spent up to now is 179.5 secs Computing kpt #: 61 total cpu time spent up to now is 181.2 secs Computing kpt #: 62 total cpu time spent up to now is 182.9 secs Computing kpt #: 63 total cpu time spent up to now is 184.6 secs Computing kpt #: 64 total cpu time spent up to now is 186.4 secs Computing kpt #: 65 total cpu time spent up to now is 188.1 secs Computing kpt #: 66 total cpu time spent up to now is 189.8 secs Computing kpt #: 67 total cpu time spent up to now is 191.5 secs Computing kpt #: 68 total cpu time spent up to now is 193.2 secs Computing kpt #: 69 total cpu time spent up to now is 195.0 secs Computing kpt #: 70 total cpu time spent up to now is 196.7 secs Computing kpt #: 71 total cpu time spent up to now is 198.4 secs Computing kpt #: 72 total cpu time spent up to now is 200.2 secs Computing kpt #: 73 total cpu time spent up to now is 201.8 secs Computing kpt #: 74 total cpu time spent up to now is 203.6 secs Computing kpt #: 75 total cpu time spent up to now is 205.3 secs Computing kpt #: 76 total cpu time spent up to now is 207.0 secs Computing kpt #: 77 total cpu time spent up to now is 208.8 secs Computing kpt #: 78 total cpu time spent up to now is 210.6 secs Computing kpt #: 79 total cpu time spent up to now is 212.4 secs Computing kpt #: 80 total cpu time spent up to now is 214.1 secs Computing kpt #: 81 total cpu time spent up to now is 215.9 secs Computing kpt #: 82 total cpu time spent up to now is 217.8 secs Computing kpt #: 83 total cpu time spent up to now is 219.6 secs Computing kpt #: 84 total cpu time spent up to now is 221.4 secs Computing kpt #: 85 total cpu time spent up to now is 223.3 secs Computing kpt #: 86 total cpu time spent up to now is 225.1 secs Computing kpt #: 87 total cpu time spent up to now is 226.9 secs Computing kpt #: 88 total cpu time spent up to now is 228.8 secs Computing kpt #: 89 total cpu time spent up to now is 230.6 secs Computing kpt #: 90 total cpu time spent up to now is 232.5 secs Computing kpt #: 91 total cpu time spent up to now is 234.4 secs Computing kpt #: 92 total cpu time spent up to now is 236.3 secs Computing kpt #: 93 total cpu time spent up to now is 238.1 secs Computing kpt #: 94 total cpu time spent up to now is 240.0 secs Computing kpt #: 95 total cpu time spent up to now is 241.8 secs Computing kpt #: 96 total cpu time spent up to now is 243.6 secs Computing kpt #: 97 total cpu time spent up to now is 245.5 secs Computing kpt #: 98 total cpu time spent up to now is 247.4 secs Computing kpt #: 99 total cpu time spent up to now is 249.2 secs Computing kpt #: 100 total cpu time spent up to now is 251.2 secs Computing kpt #: 101 total cpu time spent up to now is 253.1 secs Computing kpt #: 102 total cpu time spent up to now is 254.9 secs Computing kpt #: 103 total cpu time spent up to now is 256.9 secs Computing kpt #: 104 total cpu time spent up to now is 258.8 secs Computing kpt #: 105 total cpu time spent up to now is 260.7 secs Computing kpt #: 106 total cpu time spent up to now is 262.9 secs Computing kpt #: 107 total cpu time spent up to now is 265.0 secs Computing kpt #: 108 total cpu time spent up to now is 267.1 secs Computing kpt #: 109 total cpu time spent up to now is 269.2 secs Computing kpt #: 110 total cpu time spent up to now is 271.3 secs Computing kpt #: 111 total cpu time spent up to now is 273.5 secs Computing kpt #: 112 total cpu time spent up to now is 275.8 secs Computing kpt #: 113 total cpu time spent up to now is 278.0 secs Computing kpt #: 114 total cpu time spent up to now is 280.1 secs Computing kpt #: 115 total cpu time spent up to now is 282.5 secs Computing kpt #: 116 total cpu time spent up to now is 284.6 secs Computing kpt #: 117 total cpu time spent up to now is 286.8 secs Computing kpt #: 118 total cpu time spent up to now is 289.0 secs Computing kpt #: 119 total cpu time spent up to now is 291.2 secs Computing kpt #: 120 total cpu time spent up to now is 293.4 secs Computing kpt #: 121 total cpu time spent up to now is 295.6 secs Computing kpt #: 122 total cpu time spent up to now is 297.9 secs Computing kpt #: 123 total cpu time spent up to now is 300.4 secs Computing kpt #: 124 total cpu time spent up to now is 303.0 secs Computing kpt #: 125 total cpu time spent up to now is 305.4 secs Computing kpt #: 126 total cpu time spent up to now is 307.8 secs Computing kpt #: 127 total cpu time spent up to now is 310.2 secs Computing kpt #: 128 total cpu time spent up to now is 312.4 secs Computing kpt #: 129 total cpu time spent up to now is 314.8 secs Computing kpt #: 130 total cpu time spent up to now is 317.1 secs Computing kpt #: 131 total cpu time spent up to now is 319.4 secs Computing kpt #: 132 total cpu time spent up to now is 321.7 secs Computing kpt #: 133 total cpu time spent up to now is 324.2 secs Computing kpt #: 134 total cpu time spent up to now is 326.7 secs Computing kpt #: 135 total cpu time spent up to now is 329.2 secs Computing kpt #: 136 total cpu time spent up to now is 331.7 secs Computing kpt #: 137 total cpu time spent up to now is 333.9 secs Computing kpt #: 138 total cpu time spent up to now is 336.1 secs Computing kpt #: 139 total cpu time spent up to now is 338.1 secs Computing kpt #: 140 total cpu time spent up to now is 340.2 secs Computing kpt #: 141 total cpu time spent up to now is 342.4 secs Computing kpt #: 142 total cpu time spent up to now is 344.8 secs Computing kpt #: 143 total cpu time spent up to now is 347.8 secs Computing kpt #: 144 total cpu time spent up to now is 350.7 secs Computing kpt #: 145 total cpu time spent up to now is 354.1 secs Computing kpt #: 146 total cpu time spent up to now is 357.2 secs Computing kpt #: 147 total cpu time spent up to now is 360.7 secs Computing kpt #: 148 total cpu time spent up to now is 364.0 secs Computing kpt #: 149 total cpu time spent up to now is 367.4 secs Computing kpt #: 150 total cpu time spent up to now is 370.3 secs Computing kpt #: 151 total cpu time spent up to now is 373.0 secs Computing kpt #: 152 total cpu time spent up to now is 375.5 secs Computing kpt #: 153 total cpu time spent up to now is 377.9 secs Computing kpt #: 154 total cpu time spent up to now is 380.3 secs Computing kpt #: 155 total cpu time spent up to now is 382.6 secs Computing kpt #: 156 total cpu time spent up to now is 384.8 secs Computing kpt #: 157 total cpu time spent up to now is 386.9 secs Computing kpt #: 158 total cpu time spent up to now is 389.0 secs Computing kpt #: 159 total cpu time spent up to now is 391.1 secs Computing kpt #: 160 total cpu time spent up to now is 393.3 secs Computing kpt #: 161 total cpu time spent up to now is 395.4 secs Computing kpt #: 162 total cpu time spent up to now is 397.7 secs Computing kpt #: 163 total cpu time spent up to now is 399.8 secs Computing kpt #: 164 total cpu time spent up to now is 401.9 secs Computing kpt #: 165 total cpu time spent up to now is 404.0 secs Computing kpt #: 166 total cpu time spent up to now is 406.1 secs Computing kpt #: 167 total cpu time spent up to now is 408.2 secs Computing kpt #: 168 total cpu time spent up to now is 410.3 secs Computing kpt #: 169 total cpu time spent up to now is 412.3 secs Computing kpt #: 170 total cpu time spent up to now is 414.4 secs Computing kpt #: 171 total cpu time spent up to now is 416.5 secs Computing kpt #: 172 total cpu time spent up to now is 418.5 secs Computing kpt #: 173 total cpu time spent up to now is 420.5 secs Computing kpt #: 174 total cpu time spent up to now is 422.4 secs Computing kpt #: 175 total cpu time spent up to now is 424.4 secs Computing kpt #: 176 total cpu time spent up to now is 426.5 secs Computing kpt #: 177 total cpu time spent up to now is 428.5 secs Computing kpt #: 178 total cpu time spent up to now is 430.6 secs Computing kpt #: 179 total cpu time spent up to now is 432.7 secs Computing kpt #: 180 total cpu time spent up to now is 434.8 secs Computing kpt #: 181 total cpu time spent up to now is 437.4 secs Computing kpt #: 182 total cpu time spent up to now is 440.3 secs Computing kpt #: 183 total cpu time spent up to now is 442.8 secs Computing kpt #: 184 total cpu time spent up to now is 445.2 secs Computing kpt #: 185 total cpu time spent up to now is 447.3 secs Computing kpt #: 186 total cpu time spent up to now is 449.3 secs Computing kpt #: 187 total cpu time spent up to now is 451.2 secs Computing kpt #: 188 total cpu time spent up to now is 453.1 secs Computing kpt #: 189 total cpu time spent up to now is 454.9 secs Computing kpt #: 190 total cpu time spent up to now is 456.9 secs Computing kpt #: 191 total cpu time spent up to now is 458.8 secs Computing kpt #: 192 total cpu time spent up to now is 460.9 secs Computing kpt #: 193 total cpu time spent up to now is 463.1 secs Computing kpt #: 194 total cpu time spent up to now is 465.3 secs Computing kpt #: 195 total cpu time spent up to now is 467.5 secs Computing kpt #: 196 total cpu time spent up to now is 469.6 secs Computing kpt #: 197 total cpu time spent up to now is 471.8 secs Computing kpt #: 198 total cpu time spent up to now is 474.0 secs Computing kpt #: 199 total cpu time spent up to now is 476.1 secs Computing kpt #: 200 total cpu time spent up to now is 478.2 secs Computing kpt #: 201 total cpu time spent up to now is 480.3 secs Computing kpt #: 202 total cpu time spent up to now is 482.6 secs Computing kpt #: 203 total cpu time spent up to now is 484.7 secs Computing kpt #: 204 total cpu time spent up to now is 486.7 secs Computing kpt #: 205 total cpu time spent up to now is 488.8 secs Computing kpt #: 206 total cpu time spent up to now is 490.7 secs Computing kpt #: 207 total cpu time spent up to now is 492.6 secs Computing kpt #: 208 total cpu time spent up to now is 494.4 secs Computing kpt #: 209 total cpu time spent up to now is 496.3 secs Computing kpt #: 210 total cpu time spent up to now is 498.2 secs Computing kpt #: 211 total cpu time spent up to now is 500.1 secs Computing kpt #: 212 total cpu time spent up to now is 502.0 secs Computing kpt #: 213 total cpu time spent up to now is 503.9 secs Computing kpt #: 214 total cpu time spent up to now is 505.7 secs Computing kpt #: 215 total cpu time spent up to now is 507.6 secs Computing kpt #: 216 total cpu time spent up to now is 509.4 secs Computing kpt #: 217 total cpu time spent up to now is 511.3 secs Computing kpt #: 218 total cpu time spent up to now is 513.1 secs Computing kpt #: 219 total cpu time spent up to now is 515.0 secs Computing kpt #: 220 total cpu time spent up to now is 516.9 secs Computing kpt #: 221 total cpu time spent up to now is 518.8 secs Computing kpt #: 222 total cpu time spent up to now is 520.7 secs Computing kpt #: 223 total cpu time spent up to now is 522.6 secs Computing kpt #: 224 total cpu time spent up to now is 524.7 secs Computing kpt #: 225 total cpu time spent up to now is 526.6 secs Computing kpt #: 226 total cpu time spent up to now is 528.8 secs Computing kpt #: 227 total cpu time spent up to now is 530.8 secs Computing kpt #: 228 total cpu time spent up to now is 532.9 secs Computing kpt #: 229 total cpu time spent up to now is 535.1 secs Computing kpt #: 230 total cpu time spent up to now is 537.3 secs Computing kpt #: 231 total cpu time spent up to now is 539.3 secs Computing kpt #: 232 total cpu time spent up to now is 541.4 secs Computing kpt #: 233 total cpu time spent up to now is 543.2 secs Computing kpt #: 234 total cpu time spent up to now is 545.3 secs Computing kpt #: 235 total cpu time spent up to now is 547.3 secs Computing kpt #: 236 total cpu time spent up to now is 549.1 secs Computing kpt #: 237 total cpu time spent up to now is 551.0 secs Computing kpt #: 238 total cpu time spent up to now is 553.0 secs Computing kpt #: 239 total cpu time spent up to now is 554.8 secs Computing kpt #: 240 total cpu time spent up to now is 556.8 secs Computing kpt #: 241 total cpu time spent up to now is 558.8 secs Computing kpt #: 242 total cpu time spent up to now is 560.8 secs Computing kpt #: 243 total cpu time spent up to now is 562.9 secs Computing kpt #: 244 total cpu time spent up to now is 565.0 secs Computing kpt #: 245 total cpu time spent up to now is 567.1 secs Computing kpt #: 246 total cpu time spent up to now is 569.3 secs Computing kpt #: 247 total cpu time spent up to now is 571.4 secs Computing kpt #: 248 total cpu time spent up to now is 573.4 secs Computing kpt #: 249 total cpu time spent up to now is 575.5 secs Computing kpt #: 250 total cpu time spent up to now is 577.6 secs Computing kpt #: 251 total cpu time spent up to now is 579.7 secs Computing kpt #: 252 total cpu time spent up to now is 581.8 secs Computing kpt #: 253 total cpu time spent up to now is 583.9 secs Computing kpt #: 254 total cpu time spent up to now is 586.1 secs Computing kpt #: 255 total cpu time spent up to now is 588.3 secs Computing kpt #: 256 total cpu time spent up to now is 590.5 secs Computing kpt #: 257 total cpu time spent up to now is 592.8 secs Computing kpt #: 258 total cpu time spent up to now is 595.1 secs Computing kpt #: 259 total cpu time spent up to now is 597.4 secs Computing kpt #: 260 total cpu time spent up to now is 599.6 secs Computing kpt #: 261 total cpu time spent up to now is 601.8 secs Computing kpt #: 262 total cpu time spent up to now is 604.0 secs Computing kpt #: 263 total cpu time spent up to now is 606.2 secs Computing kpt #: 264 total cpu time spent up to now is 608.3 secs Computing kpt #: 265 total cpu time spent up to now is 610.4 secs Computing kpt #: 266 total cpu time spent up to now is 612.5 secs Computing kpt #: 267 total cpu time spent up to now is 614.5 secs Computing kpt #: 268 total cpu time spent up to now is 616.4 secs Computing kpt #: 269 total cpu time spent up to now is 618.4 secs Computing kpt #: 270 total cpu time spent up to now is 620.4 secs Computing kpt #: 271 total cpu time spent up to now is 622.4 secs Computing kpt #: 272 total cpu time spent up to now is 624.5 secs Computing kpt #: 273 total cpu time spent up to now is 626.5 secs Computing kpt #: 274 total cpu time spent up to now is 628.5 secs Computing kpt #: 275 total cpu time spent up to now is 630.5 secs Computing kpt #: 276 total cpu time spent up to now is 632.5 secs Computing kpt #: 277 total cpu time spent up to now is 634.6 secs Computing kpt #: 278 total cpu time spent up to now is 636.6 secs Computing kpt #: 279 total cpu time spent up to now is 638.7 secs Computing kpt #: 280 total cpu time spent up to now is 640.8 secs Computing kpt #: 281 total cpu time spent up to now is 642.9 secs Computing kpt #: 282 total cpu time spent up to now is 645.0 secs Computing kpt #: 283 total cpu time spent up to now is 647.1 secs Computing kpt #: 284 total cpu time spent up to now is 649.2 secs Computing kpt #: 285 total cpu time spent up to now is 651.2 secs Computing kpt #: 286 total cpu time spent up to now is 653.3 secs Computing kpt #: 287 total cpu time spent up to now is 655.2 secs Computing kpt #: 288 total cpu time spent up to now is 657.1 secs Computing kpt #: 289 total cpu time spent up to now is 659.2 secs Computing kpt #: 290 total cpu time spent up to now is 661.1 secs Computing kpt #: 291 total cpu time spent up to now is 662.9 secs Computing kpt #: 292 total cpu time spent up to now is 664.9 secs Computing kpt #: 293 total cpu time spent up to now is 666.9 secs Computing kpt #: 294 total cpu time spent up to now is 668.9 secs Computing kpt #: 295 total cpu time spent up to now is 670.8 secs Computing kpt #: 296 total cpu time spent up to now is 672.6 secs Computing kpt #: 297 total cpu time spent up to now is 674.5 secs Computing kpt #: 298 total cpu time spent up to now is 676.3 secs Computing kpt #: 299 total cpu time spent up to now is 678.1 secs Computing kpt #: 300 total cpu time spent up to now is 679.9 secs Computing kpt #: 301 total cpu time spent up to now is 681.9 secs Computing kpt #: 302 total cpu time spent up to now is 683.9 secs Computing kpt #: 303 total cpu time spent up to now is 685.9 secs Computing kpt #: 304 total cpu time spent up to now is 687.9 secs Computing kpt #: 305 total cpu time spent up to now is 690.1 secs Computing kpt #: 306 total cpu time spent up to now is 692.2 secs Computing kpt #: 307 total cpu time spent up to now is 694.4 secs Computing kpt #: 308 total cpu time spent up to now is 696.6 secs Computing kpt #: 309 total cpu time spent up to now is 698.7 secs Computing kpt #: 310 total cpu time spent up to now is 701.0 secs Computing kpt #: 311 total cpu time spent up to now is 703.1 secs Computing kpt #: 312 total cpu time spent up to now is 705.2 secs Computing kpt #: 313 total cpu time spent up to now is 707.2 secs Computing kpt #: 314 total cpu time spent up to now is 709.2 secs Computing kpt #: 315 total cpu time spent up to now is 711.1 secs Computing kpt #: 316 total cpu time spent up to now is 713.2 secs Computing kpt #: 317 total cpu time spent up to now is 715.1 secs Computing kpt #: 318 total cpu time spent up to now is 717.1 secs Computing kpt #: 319 total cpu time spent up to now is 719.1 secs Computing kpt #: 320 total cpu time spent up to now is 721.2 secs Computing kpt #: 321 total cpu time spent up to now is 723.3 secs Computing kpt #: 322 total cpu time spent up to now is 725.5 secs Computing kpt #: 323 total cpu time spent up to now is 727.7 secs Computing kpt #: 324 total cpu time spent up to now is 729.8 secs Computing kpt #: 325 total cpu time spent up to now is 731.9 secs Computing kpt #: 326 total cpu time spent up to now is 734.0 secs Computing kpt #: 327 total cpu time spent up to now is 736.1 secs Computing kpt #: 328 total cpu time spent up to now is 738.3 secs Computing kpt #: 329 total cpu time spent up to now is 740.5 secs Computing kpt #: 330 total cpu time spent up to now is 742.6 secs Computing kpt #: 331 total cpu time spent up to now is 744.7 secs Computing kpt #: 332 total cpu time spent up to now is 746.7 secs Computing kpt #: 333 total cpu time spent up to now is 748.7 secs Computing kpt #: 334 total cpu time spent up to now is 750.6 secs Computing kpt #: 335 total cpu time spent up to now is 752.6 secs Computing kpt #: 336 total cpu time spent up to now is 754.7 secs Computing kpt #: 337 total cpu time spent up to now is 756.6 secs Computing kpt #: 338 total cpu time spent up to now is 758.7 secs Computing kpt #: 339 total cpu time spent up to now is 760.6 secs Computing kpt #: 340 total cpu time spent up to now is 762.7 secs Computing kpt #: 341 total cpu time spent up to now is 764.7 secs Computing kpt #: 342 total cpu time spent up to now is 766.7 secs Computing kpt #: 343 total cpu time spent up to now is 768.8 secs Computing kpt #: 344 total cpu time spent up to now is 770.6 secs Computing kpt #: 345 total cpu time spent up to now is 772.5 secs Computing kpt #: 346 total cpu time spent up to now is 774.5 secs Computing kpt #: 347 total cpu time spent up to now is 776.3 secs Computing kpt #: 348 total cpu time spent up to now is 778.1 secs Computing kpt #: 349 total cpu time spent up to now is 780.0 secs Computing kpt #: 350 total cpu time spent up to now is 781.9 secs Computing kpt #: 351 total cpu time spent up to now is 783.8 secs Computing kpt #: 352 total cpu time spent up to now is 785.7 secs Computing kpt #: 353 total cpu time spent up to now is 787.7 secs Computing kpt #: 354 total cpu time spent up to now is 789.7 secs Computing kpt #: 355 total cpu time spent up to now is 791.8 secs Computing kpt #: 356 total cpu time spent up to now is 793.9 secs Computing kpt #: 357 total cpu time spent up to now is 795.9 secs Computing kpt #: 358 total cpu time spent up to now is 798.0 secs Computing kpt #: 359 total cpu time spent up to now is 800.1 secs Computing kpt #: 360 total cpu time spent up to now is 802.2 secs Computing kpt #: 361 total cpu time spent up to now is 804.4 secs Computing kpt #: 362 total cpu time spent up to now is 806.5 secs Computing kpt #: 363 total cpu time spent up to now is 808.7 secs Computing kpt #: 364 total cpu time spent up to now is 811.0 secs Computing kpt #: 365 total cpu time spent up to now is 813.2 secs Computing kpt #: 366 total cpu time spent up to now is 815.4 secs Computing kpt #: 367 total cpu time spent up to now is 817.7 secs Computing kpt #: 368 total cpu time spent up to now is 819.9 secs Computing kpt #: 369 total cpu time spent up to now is 822.1 secs Computing kpt #: 370 total cpu time spent up to now is 824.2 secs Computing kpt #: 371 total cpu time spent up to now is 826.4 secs Computing kpt #: 372 total cpu time spent up to now is 828.5 secs Computing kpt #: 373 total cpu time spent up to now is 830.6 secs Computing kpt #: 374 total cpu time spent up to now is 832.3 secs Computing kpt #: 375 total cpu time spent up to now is 834.0 secs Computing kpt #: 376 total cpu time spent up to now is 835.7 secs Computing kpt #: 377 total cpu time spent up to now is 837.4 secs Computing kpt #: 378 total cpu time spent up to now is 839.2 secs Computing kpt #: 379 total cpu time spent up to now is 840.9 secs Computing kpt #: 380 total cpu time spent up to now is 842.7 secs Computing kpt #: 381 total cpu time spent up to now is 844.4 secs Computing kpt #: 382 total cpu time spent up to now is 846.1 secs Computing kpt #: 383 total cpu time spent up to now is 847.9 secs Computing kpt #: 384 total cpu time spent up to now is 849.6 secs Computing kpt #: 385 total cpu time spent up to now is 851.3 secs Computing kpt #: 386 total cpu time spent up to now is 853.0 secs Computing kpt #: 387 total cpu time spent up to now is 854.7 secs Computing kpt #: 388 total cpu time spent up to now is 856.4 secs Computing kpt #: 389 total cpu time spent up to now is 858.1 secs Computing kpt #: 390 total cpu time spent up to now is 859.8 secs Computing kpt #: 391 total cpu time spent up to now is 861.6 secs Computing kpt #: 392 total cpu time spent up to now is 863.4 secs Computing kpt #: 393 total cpu time spent up to now is 865.2 secs Computing kpt #: 394 total cpu time spent up to now is 867.0 secs Computing kpt #: 395 total cpu time spent up to now is 868.9 secs Computing kpt #: 396 total cpu time spent up to now is 870.9 secs Computing kpt #: 397 total cpu time spent up to now is 872.9 secs Computing kpt #: 398 total cpu time spent up to now is 875.0 secs Computing kpt #: 399 total cpu time spent up to now is 877.1 secs Computing kpt #: 400 total cpu time spent up to now is 879.2 secs ethr = 2.50E-11, avg # of iterations = 34.4 total cpu time spent up to now is 879.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4519 PWs) bands (ev): -4.4463 -4.4463 -1.9587 -1.9587 -1.4327 -1.4327 -0.7859 -0.7859 3.0633 3.0633 4.3313 4.3313 5.5325 5.5325 5.6774 5.6774 6.4768 6.4768 6.8048 6.8048 6.9381 6.9381 7.0741 7.0741 7.1936 7.1936 8.4201 8.4201 8.7101 8.7101 8.7865 8.7865 8.8459 8.8459 8.9015 8.9015 9.2572 9.2572 9.4204 9.4204 10.2638 10.2638 11.1158 11.1158 12.0949 12.0949 12.4961 12.4961 k = 0.0122-0.0000-0.0000 ( 4521 PWs) bands (ev): -4.4451 -4.4451 -1.9587 -1.9587 -1.4319 -1.4319 -0.7855 -0.7855 3.0646 3.0646 4.3313 4.3313 5.5314 5.5314 5.6780 5.6780 6.4711 6.4711 6.8030 6.8030 6.9366 6.9366 7.0751 7.0751 7.1936 7.1936 8.4246 8.4246 8.7079 8.7079 8.7860 8.7860 8.8444 8.8444 8.8903 8.8903 9.2580 9.2580 9.4261 9.4261 10.2647 10.2647 11.1107 11.1107 12.0960 12.0960 12.4844 12.4844 k = 0.0244-0.0000-0.0000 ( 4521 PWs) bands (ev): -4.4416 -4.4416 -1.9585 -1.9585 -1.4298 -1.4298 -0.7844 -0.7844 3.0687 3.0687 4.3315 4.3315 5.5281 5.5281 5.6798 5.6798 6.4543 6.4543 6.7977 6.7977 6.9324 6.9324 7.0777 7.0777 7.1938 7.1938 8.4376 8.4376 8.7015 8.7015 8.7848 8.7848 8.8361 8.8361 8.8623 8.8623 9.2605 9.2605 9.4414 9.4414 10.2675 10.2675 11.0958 11.0958 12.0989 12.0989 12.4494 12.4494 k = 0.0366-0.0000-0.0000 ( 4525 PWs) bands (ev): -4.4357 -4.4357 -1.9582 -1.9582 -1.4262 -1.4262 -0.7826 -0.7826 3.0755 3.0755 4.3317 4.3317 5.5227 5.5227 5.6826 5.6826 6.4267 6.4267 6.7888 6.7888 6.9269 6.9269 7.0817 7.0817 7.1941 7.1941 8.4579 8.4579 8.6906 8.6906 8.7821 8.7821 8.7968 8.7968 8.8465 8.8465 9.2646 9.2646 9.4627 9.4627 10.2721 10.2721 11.0722 11.0722 12.1028 12.1028 12.3926 12.3926 k = 0.0488-0.0000-0.0000 ( 4531 PWs) bands (ev): -4.4274 -4.4274 -1.9578 -1.9578 -1.4211 -1.4211 -0.7801 -0.7801 3.0849 3.0849 4.3318 4.3318 5.5152 5.5152 5.6865 5.6865 6.3888 6.3888 6.7765 6.7765 6.9211 6.9211 7.0863 7.0863 7.1951 7.1951 8.4836 8.4836 8.6739 8.6739 8.7330 8.7330 8.7803 8.7803 8.8401 8.8401 9.2704 9.2704 9.4863 9.4863 10.2785 10.2785 11.0414 11.0414 12.1060 12.1060 12.3177 12.3177 k = 0.0610-0.0000-0.0000 ( 4547 PWs) bands (ev): -4.4169 -4.4169 -1.9573 -1.9573 -1.4147 -1.4147 -0.7768 -0.7768 3.0971 3.0971 4.3316 4.3316 5.5056 5.5056 5.6912 5.6912 6.3420 6.3420 6.7612 6.7612 6.9160 6.9160 7.0903 7.0903 7.1972 7.1972 8.5124 8.5124 8.6372 8.6372 8.6751 8.6751 8.7764 8.7764 8.8339 8.8339 9.2776 9.2776 9.5095 9.5095 10.2865 10.2865 11.0051 11.0051 12.1062 12.1062 12.2297 12.2297 k = 0.0732-0.0000-0.0000 ( 4557 PWs) bands (ev): -4.4039 -4.4039 -1.9570 -1.9570 -1.4068 -1.4068 -0.7729 -0.7729 3.1119 3.1119 4.3310 4.3310 5.4941 5.4941 5.6968 5.6968 6.2878 6.2878 6.7435 6.7435 6.9116 6.9116 7.0926 7.0926 7.2013 7.2013 8.5345 8.5345 8.5673 8.5673 8.6466 8.6466 8.7718 8.7718 8.8271 8.8271 9.2861 9.2861 9.5307 9.5307 10.2962 10.2962 10.9652 10.9652 12.0917 12.0917 12.1432 12.1432 k = 0.0854-0.0000-0.0000 ( 4557 PWs) bands (ev): -4.3887 -4.3887 -1.9566 -1.9566 -1.3976 -1.3976 -0.7683 -0.7683 3.1294 3.1294 4.3297 4.3297 5.4806 5.4806 5.7030 5.7030 6.2282 6.2282 6.7238 6.7238 6.9080 6.9080 7.0915 7.0915 7.2085 7.2085 8.4628 8.4628 8.5752 8.5752 8.6247 8.6247 8.7665 8.7665 8.8196 8.8196 9.2957 9.2957 9.5488 9.5488 10.3074 10.3074 10.9231 10.9231 12.0083 12.0083 12.1145 12.1145 k = 0.0976-0.0000-0.0000 ( 4562 PWs) bands (ev): -4.3711 -4.3711 -1.9565 -1.9565 -1.3870 -1.3870 -0.7632 -0.7632 3.1495 3.1495 4.3274 4.3274 5.4652 5.4652 5.7096 5.7096 6.1653 6.1653 6.7023 6.7023 6.9050 6.9050 7.0857 7.0857 7.2191 7.2191 8.3663 8.3663 8.5811 8.5811 8.6210 8.6210 8.7607 8.7607 8.8116 8.8116 9.3060 9.3060 9.5634 9.5634 10.3199 10.3199 10.8804 10.8804 11.8976 11.8976 12.1040 12.1040 k = 0.1098-0.0000-0.0000 ( 4564 PWs) bands (ev): -4.3513 -4.3513 -1.9566 -1.9566 -1.3751 -1.3751 -0.7574 -0.7574 3.1722 3.1722 4.3236 4.3236 5.4480 5.4480 5.7167 5.7167 6.1014 6.1014 6.6791 6.6791 6.9024 6.9024 7.0747 7.0747 7.2330 7.2330 8.2658 8.2658 8.5587 8.5587 8.6413 8.6413 8.7551 8.7551 8.8033 8.8033 9.3167 9.3167 9.5741 9.5741 10.3336 10.3336 10.8380 10.8380 11.7817 11.7817 12.0914 12.0914 k = 0.1220-0.0000-0.0000 ( 4572 PWs) bands (ev): -4.3292 -4.3292 -1.9572 -1.9572 -1.3619 -1.3619 -0.7511 -0.7511 3.1975 3.1975 4.3181 4.3181 5.4291 5.4291 5.7238 5.7238 6.0383 6.0383 6.6540 6.6540 6.9000 6.9000 7.0577 7.0577 7.2499 7.2499 8.1635 8.1635 8.5307 8.5307 8.6603 8.6603 8.7512 8.7512 8.7948 8.7948 9.3275 9.3275 9.5810 9.5810 10.3482 10.3482 10.7969 10.7969 11.6642 11.6642 12.0751 12.0751 k = 0.1341-0.0000-0.0000 ( 4568 PWs) bands (ev): -4.3049 -4.3049 -1.9581 -1.9581 -1.3475 -1.3475 -0.7443 -0.7443 3.2253 3.2253 4.3104 4.3104 5.4087 5.4087 5.7308 5.7308 5.9781 5.9781 6.6268 6.6268 6.8977 6.8977 7.0344 7.0344 7.2692 7.2692 8.0614 8.0614 8.5012 8.5012 8.6708 8.6708 8.7519 8.7519 8.7867 8.7867 9.3379 9.3379 9.5841 9.5841 10.3636 10.3636 10.7579 10.7579 11.5468 11.5468 12.0547 12.0547 k = 0.1463-0.0000-0.0000 ( 4564 PWs) bands (ev): -4.2783 -4.2783 -1.9597 -1.9597 -1.3318 -1.3318 -0.7371 -0.7371 3.2556 3.2556 4.3000 4.3000 5.3871 5.3871 5.7370 5.7370 5.9224 5.9224 6.5973 6.5973 6.8953 6.8953 7.0041 7.0041 7.2903 7.2903 7.9614 7.9614 8.4718 8.4718 8.6701 8.6701 8.7575 8.7575 8.7804 8.7804 9.3476 9.3476 9.5836 9.5836 10.3794 10.3794 10.7214 10.7214 11.4308 11.4308 12.0303 12.0303 k = 0.1585-0.0000-0.0000 ( 4564 PWs) bands (ev): -4.2496 -4.2496 -1.9621 -1.9621 -1.3150 -1.3150 -0.7296 -0.7296 3.2884 3.2884 4.2865 4.2865 5.3647 5.3647 5.7416 5.7416 5.8733 5.8733 6.5651 6.5651 6.8924 6.8924 6.9663 6.9663 7.3127 7.3127 7.8652 7.8652 8.4428 8.4428 8.6603 8.6603 8.7597 8.7597 8.7822 8.7822 9.3562 9.3562 9.5796 9.5796 10.3956 10.3956 10.6878 10.6878 11.3174 11.3174 12.0016 12.0016 k = 0.1707-0.0000-0.0000 ( 4568 PWs) bands (ev): -4.2187 -4.2187 -1.9654 -1.9654 -1.2970 -1.2970 -0.7216 -0.7216 3.3234 3.3234 4.2698 4.2698 5.3423 5.3423 5.7420 5.7420 5.8335 5.8335 6.5300 6.5300 6.8859 6.8859 6.9231 6.9231 7.3362 7.3362 7.7748 7.7748 8.4151 8.4151 8.6446 8.6446 8.7539 8.7539 8.7933 8.7933 9.3634 9.3634 9.5724 9.5724 10.4119 10.4119 10.6574 10.6574 11.2074 11.2074 11.9686 11.9686 k = 0.1829-0.0000-0.0000 ( 4562 PWs) bands (ev): -4.1857 -4.1857 -1.9697 -1.9697 -1.2780 -1.2780 -0.7135 -0.7135 3.3608 3.3608 4.2496 4.2496 5.3204 5.3204 5.7335 5.7335 5.8082 5.8082 6.4917 6.4917 6.8506 6.8506 6.8992 6.8992 7.3603 7.3603 7.6916 7.6916 8.3890 8.3890 8.6251 8.6251 8.7460 8.7460 8.8065 8.8065 9.3691 9.3691 9.5622 9.5622 10.4280 10.4280 10.6303 10.6303 11.1016 11.1016 11.9310 11.9310 k = 0.1951-0.0000-0.0000 ( 4560 PWs) bands (ev): -4.1506 -4.1506 -1.9752 -1.9752 -1.2581 -1.2581 -0.7052 -0.7052 3.4003 3.4003 4.2261 4.2261 5.2998 5.2998 5.7145 5.7145 5.7985 5.7985 6.4499 6.4499 6.7855 6.7855 6.8953 6.8953 7.3844 7.3844 7.6167 7.6167 8.3650 8.3650 8.6027 8.6027 8.7377 8.7377 8.8193 8.8193 9.3729 9.3729 9.5493 9.5493 10.4438 10.4438 10.6066 10.6066 11.0007 11.0007 11.8884 11.8884 k = 0.2073-0.0000-0.0000 ( 4556 PWs) bands (ev): -4.1135 -4.1135 -1.9820 -1.9820 -1.2371 -1.2371 -0.6968 -0.6968 3.4418 3.4418 4.1996 4.1996 5.2809 5.2809 5.6918 5.6918 5.7975 5.7975 6.4046 6.4046 6.7084 6.7084 6.8944 6.8944 7.4077 7.4077 7.5510 7.5510 8.3433 8.3433 8.5778 8.5778 8.7295 8.7295 8.8311 8.8311 9.3749 9.3749 9.5339 9.5339 10.4590 10.4590 10.5863 10.5863 10.9055 10.9055 11.8405 11.8405 k = 0.2195-0.0000-0.0000 ( 4568 PWs) bands (ev): -4.0744 -4.0744 -1.9905 -1.9905 -1.2153 -1.2153 -0.6883 -0.6883 3.4852 3.4852 4.1708 4.1708 5.2640 5.2640 5.6707 5.6707 5.7990 5.7990 6.3554 6.3554 6.6227 6.6227 6.8948 6.8948 7.4263 7.4263 7.4975 7.4975 8.3241 8.3241 8.5508 8.5508 8.7216 8.7216 8.8419 8.8419 9.3749 9.3749 9.5164 9.5164 10.4735 10.4735 10.5694 10.5694 10.8166 10.8166 11.7875 11.7875 k = 0.2317-0.0000-0.0000 ( 4566 PWs) bands (ev): -4.0334 -4.0334 -2.0006 -2.0006 -1.1928 -1.1928 -0.6799 -0.6799 3.5302 3.5302 4.1404 4.1404 5.2492 5.2492 5.6531 5.6531 5.8008 5.8008 6.3020 6.3020 6.5309 6.5309 6.8962 6.8962 7.4166 7.4166 7.4781 7.4781 8.3075 8.3075 8.5221 8.5221 8.7142 8.7142 8.8517 8.8517 9.3731 9.3731 9.4970 9.4970 10.4867 10.4867 10.5557 10.5557 10.7348 10.7348 11.7301 11.7301 k = 0.2439-0.0000-0.0000 ( 4574 PWs) bands (ev): -3.9904 -3.9904 -2.0126 -2.0126 -1.1695 -1.1695 -0.6717 -0.6717 3.5764 3.5764 4.1098 4.1098 5.2364 5.2364 5.6394 5.6394 5.8015 5.8015 6.2439 6.2439 6.4363 6.4363 6.8987 6.8987 7.3762 7.3762 7.4935 7.4935 8.2933 8.2933 8.4917 8.4917 8.7074 8.7074 8.8607 8.8607 9.3690 9.3690 9.4761 9.4761 10.4975 10.4975 10.5453 10.5453 10.6619 10.6619 11.6698 11.6698 k = 0.2561-0.0000-0.0000 ( 4564 PWs) bands (ev): -3.9457 -3.9457 -2.0265 -2.0265 -1.1455 -1.1455 -0.6637 -0.6637 3.6231 3.6231 4.0802 4.0802 5.2251 5.2251 5.6292 5.6292 5.8003 5.8003 6.1802 6.1802 6.3427 6.3427 6.9022 6.9022 7.3328 7.3328 7.5143 7.5143 8.2814 8.2814 8.4603 8.4603 8.7016 8.7016 8.8687 8.8687 9.3627 9.3627 9.4541 9.4541 10.5005 10.5005 10.5394 10.5394 10.6023 10.6023 11.6077 11.6077 k = 0.2683-0.0000-0.0000 ( 4564 PWs) bands (ev): -3.8992 -3.8992 -2.0427 -2.0427 -1.1211 -1.1211 -0.6561 -0.6561 3.6695 3.6695 4.0536 4.0536 5.2150 5.2150 5.6215 5.6215 5.7961 5.7961 6.1101 6.1101 6.2543 6.2543 6.9068 6.9068 7.2904 7.2904 7.5350 7.5350 8.2716 8.2716 8.4283 8.4283 8.6969 8.6969 8.8762 8.8762 9.3543 9.3543 9.4314 9.4314 10.4812 10.4812 10.5414 10.5414 10.5670 10.5670 11.5452 11.5452 k = 0.2805-0.0000-0.0000 ( 4564 PWs) bands (ev): -3.8510 -3.8510 -2.0612 -2.0612 -1.0961 -1.0961 -0.6489 -0.6489 3.7138 3.7138 4.0325 4.0325 5.2057 5.2057 5.6145 5.6145 5.7873 5.7873 6.0358 6.0358 6.1739 6.1739 6.9127 6.9127 7.2489 7.2489 7.5540 7.5540 8.2635 8.2635 8.3961 8.3961 8.6936 8.6936 8.8831 8.8831 9.3435 9.3435 9.4084 9.4084 10.4412 10.4412 10.5477 10.5477 10.5580 10.5580 11.4831 11.4831 k = 0.2927-0.0000-0.0000 ( 4556 PWs) bands (ev): -3.8012 -3.8012 -2.0820 -2.0820 -1.0709 -1.0709 -0.6422 -0.6422 3.7530 3.7530 4.0206 4.0206 5.1967 5.1967 5.6038 5.6038 5.7707 5.7707 5.9658 5.9658 6.1014 6.1014 6.9197 6.9197 7.2076 7.2076 7.5708 7.5708 8.2570 8.2570 8.3645 8.3645 8.6918 8.6918 8.8895 8.8895 9.3301 9.3301 9.3856 9.3856 10.3982 10.3982 10.5519 10.5519 10.5643 10.5643 11.4222 11.4222 k = 0.3049-0.0000-0.0000 ( 4552 PWs) bands (ev): -3.7498 -3.7498 -2.1054 -2.1054 -1.0453 -1.0453 -0.6361 -0.6361 3.7831 3.7831 4.0226 4.0226 5.1880 5.1880 5.5808 5.5808 5.7447 5.7447 5.9136 5.9136 6.0347 6.0347 6.9280 6.9280 7.1662 7.1662 7.5846 7.5846 8.2513 8.2513 8.3345 8.3345 8.6918 8.6918 8.8955 8.8955 9.3141 9.3141 9.3635 9.3635 10.3592 10.3592 10.5582 10.5582 10.5748 10.5748 11.3629 11.3629 k = 0.3171-0.0000-0.0000 ( 4550 PWs) bands (ev): -3.6971 -3.6971 -2.1314 -2.1314 -1.0197 -1.0197 -0.6308 -0.6308 3.8010 3.8010 4.0420 4.0420 5.1792 5.1792 5.5329 5.5329 5.7173 5.7173 5.8861 5.8861 5.9720 5.9720 6.9375 6.9375 7.1244 7.1244 7.5946 7.5946 8.2458 8.2458 8.3073 8.3073 8.6936 8.6936 8.9011 8.9011 9.2954 9.2954 9.3423 9.3423 10.3262 10.3262 10.5676 10.5676 10.5864 10.5864 11.3058 11.3058 k = 0.3293-0.0000-0.0000 ( 4544 PWs) bands (ev): -3.6429 -3.6429 -2.1600 -2.1600 -0.9939 -0.9939 -0.6263 -0.6263 3.8085 3.8085 4.0776 4.0776 5.1703 5.1703 5.4587 5.4587 5.6971 5.6971 5.8779 5.8779 5.9123 5.9123 6.9480 6.9480 7.0821 7.0821 7.6003 7.6003 8.2392 8.2392 8.2847 8.2847 8.6975 8.6975 8.9065 8.9065 9.2747 9.2747 9.3218 9.3218 10.2997 10.2997 10.5797 10.5797 10.5989 10.5989 11.2510 11.2510 k = 0.3415-0.0000-0.0000 ( 4552 PWs) bands (ev): -3.5875 -3.5875 -2.1913 -2.1913 -0.9683 -0.9683 -0.6227 -0.6227 3.8106 3.8106 4.1246 4.1246 5.1611 5.1611 5.3690 5.3690 5.6802 5.6802 5.8544 5.8544 5.8839 5.8839 6.9588 6.9588 7.0401 7.0401 7.6010 7.6010 8.2297 8.2297 8.2691 8.2691 8.7036 8.7036 8.9117 8.9117 9.2527 9.2527 9.3015 9.3015 10.2797 10.2797 10.5932 10.5932 10.6132 10.6132 11.1987 11.1987 k = 0.3537-0.0000-0.0000 ( 4558 PWs) bands (ev): -3.5310 -3.5310 -2.2253 -2.2253 -0.9428 -0.9428 -0.6201 -0.6201 3.8117 3.8117 4.1786 4.1786 5.1502 5.1502 5.2742 5.2742 5.6615 5.6615 5.8000 5.8000 5.8990 5.8990 6.9636 6.9636 7.0044 7.0044 7.5963 7.5963 8.2177 8.2177 8.2604 8.2604 8.7117 8.7117 8.9168 8.9168 9.2300 9.2300 9.2810 9.2810 10.2663 10.2663 10.6066 10.6066 10.6309 10.6309 11.1489 11.1489 k = 0.3659-0.0000-0.0000 ( 4558 PWs) bands (ev): -3.4734 -3.4734 -2.2620 -2.2620 -0.9176 -0.9176 -0.6186 -0.6186 3.8148 3.8148 4.2366 4.2366 5.1284 5.1284 5.1887 5.1887 5.6387 5.6387 5.7480 5.7480 5.9223 5.9223 6.9372 6.9372 7.0005 7.0005 7.5861 7.5861 8.2061 8.2061 8.2558 8.2558 8.7221 8.7221 8.9218 8.9218 9.2073 9.2073 9.2600 9.2600 10.2592 10.2592 10.6192 10.6192 10.6525 10.6525 11.1017 11.1017 k = 0.3780-0.0000-0.0000 ( 4562 PWs) bands (ev): -3.4149 -3.4149 -2.3013 -2.3013 -0.8928 -0.8928 -0.6183 -0.6183 3.8215 3.8215 4.2967 4.2967 5.0583 5.0583 5.1525 5.1525 5.6115 5.6115 5.6988 5.6988 5.9517 5.9517 6.8936 6.8936 7.0143 7.0143 7.5705 7.5705 8.1971 8.1971 8.2531 8.2531 8.7346 8.7346 8.9268 8.9268 9.1851 9.1851 9.2384 9.2384 10.2582 10.2582 10.6311 10.6311 10.6777 10.6777 11.0566 11.0566 k = 0.3902-0.0000-0.0000 ( 4562 PWs) bands (ev): -3.3557 -3.3557 -2.3431 -2.3431 -0.8685 -0.8685 -0.6192 -0.6192 3.8328 3.8328 4.3573 4.3573 4.9670 4.9670 5.1406 5.1406 5.5807 5.5807 5.6521 5.6521 5.9860 5.9860 6.8468 6.8468 7.0320 7.0320 7.5500 7.5500 8.1915 8.1915 8.2510 8.2510 8.7491 8.7491 8.9318 8.9318 9.1635 9.1635 9.2160 9.2160 10.2632 10.2632 10.6427 10.6427 10.7056 10.7056 11.0133 11.0133 k = 0.4024-0.0000-0.0000 ( 4560 PWs) bands (ev): -3.2958 -3.2958 -2.3874 -2.3874 -0.8449 -0.8449 -0.6214 -0.6214 3.8491 3.8491 4.4161 4.4161 4.8776 4.8776 5.1320 5.1320 5.5475 5.5475 5.6078 5.6078 6.0240 6.0240 6.7987 6.7987 7.0519 7.0519 7.5254 7.5254 8.1889 8.1889 8.2491 8.2491 8.7656 8.7656 8.9367 8.9367 9.1429 9.1429 9.1931 9.1931 10.2739 10.2739 10.6545 10.6545 10.7351 10.7351 10.9712 10.9712 k = 0.4146-0.0000-0.0000 ( 4560 PWs) bands (ev): -3.2354 -3.2354 -2.4340 -2.4340 -0.8220 -0.8220 -0.6250 -0.6250 3.8709 3.8709 4.4683 4.4683 4.7972 4.7972 5.1240 5.1240 5.5134 5.5134 5.5654 5.5654 6.0649 6.0649 6.7496 6.7496 7.0736 7.0736 7.4974 7.4974 8.1890 8.1890 8.2472 8.2472 8.7838 8.7838 8.9416 8.9416 9.1234 9.1234 9.1698 9.1698 10.2900 10.2900 10.6665 10.6665 10.7630 10.7630 10.9307 10.9307 k = 0.4268-0.0000-0.0000 ( 4560 PWs) bands (ev): -3.1746 -3.1746 -2.4828 -2.4828 -0.7999 -0.7999 -0.6299 -0.6299 3.8983 3.8983 4.5016 4.5016 4.7389 4.7389 5.1151 5.1151 5.4799 5.4799 5.5250 5.5250 6.1082 6.1082 6.7000 6.7000 7.0969 7.0969 7.4669 7.4669 8.1912 8.1912 8.2449 8.2449 8.8036 8.8036 8.9464 8.9464 9.1051 9.1051 9.1464 9.1464 10.3111 10.3111 10.6788 10.6788 10.7796 10.7796 10.8995 10.8995 k = 0.4390-0.0000-0.0000 ( 4558 PWs) bands (ev): -3.1136 -3.1136 -2.5337 -2.5337 -0.7788 -0.7788 -0.6363 -0.6363 3.9313 3.9313 4.4924 4.4924 4.7260 4.7260 5.1042 5.1042 5.4484 5.4484 5.4873 5.4873 6.1534 6.1534 6.6499 6.6499 7.1219 7.1219 7.4347 7.4347 8.1950 8.1950 8.2423 8.2423 8.8246 8.8246 8.9508 8.9508 9.0880 9.0880 9.1234 9.1234 10.3371 10.3371 10.6912 10.6912 10.7663 10.7663 10.8883 10.8883 k = 0.4512-0.0000-0.0000 ( 4562 PWs) bands (ev): -3.0527 -3.0527 -2.5864 -2.5864 -0.7587 -0.7587 -0.6442 -0.6442 3.9699 3.9699 4.4423 4.4423 4.7568 4.7568 5.0895 5.0895 5.4204 5.4204 5.4533 5.4533 6.2001 6.2001 6.5994 6.5994 7.1484 7.1484 7.4014 7.4014 8.1997 8.1997 8.2392 8.2392 8.8466 8.8466 8.9543 8.9543 9.0725 9.0725 9.1014 9.1014 10.3676 10.3676 10.7005 10.7005 10.7311 10.7311 10.8680 10.8680 k = 0.4634-0.0000-0.0000 ( 4562 PWs) bands (ev): -2.9919 -2.9919 -2.6408 -2.6408 -0.7397 -0.7397 -0.6536 -0.6536 4.0141 4.0141 4.3767 4.3767 4.8057 4.8057 5.0690 5.0690 5.3975 5.3975 5.4242 5.4242 6.2481 6.2481 6.5487 6.5487 7.1763 7.1763 7.3677 7.3677 8.2051 8.2051 8.2356 8.2356 8.8690 8.8690 8.9558 8.9558 9.0591 9.0591 9.0816 9.0816 10.4022 10.4022 10.6721 10.6721 10.7259 10.7259 10.8426 10.8426 k = 0.4756-0.0000-0.0000 ( 4562 PWs) bands (ev): -2.9314 -2.9314 -2.6967 -2.6967 -0.7220 -0.7220 -0.6644 -0.6644 4.0635 4.0635 4.3081 4.3081 4.8593 4.8593 5.0411 5.0411 5.3816 5.3816 5.4011 5.4011 6.2970 6.2970 6.4980 6.4980 7.2056 7.2056 7.3340 7.3340 8.2107 8.2107 8.2314 8.2314 8.8913 8.8913 8.9535 8.9535 9.0489 9.0489 9.0650 9.0650 10.4407 10.4407 10.6238 10.6238 10.7402 10.7402 10.8185 10.8185 k = 0.4878-0.0000-0.0000 ( 4556 PWs) bands (ev): -2.8714 -2.8714 -2.7539 -2.7539 -0.7055 -0.7055 -0.6767 -0.6767 4.1181 4.1181 4.2411 4.2411 4.9122 4.9122 5.0050 5.0050 5.3741 5.3741 5.3845 5.3845 6.3466 6.3466 6.4473 6.4473 7.2362 7.2362 7.3006 7.3006 8.2163 8.2163 8.2268 8.2268 8.9126 8.9126 8.9455 8.9455 9.0440 9.0440 9.0527 9.0527 10.4826 10.4826 10.5748 10.5748 10.7572 10.7572 10.7963 10.7963 k = 0.5000-0.0000-0.0000 ( 4560 PWs) bands (ev): -2.8122 -2.8122 -2.8122 -2.8122 -0.6904 -0.6904 -0.6904 -0.6904 4.1775 4.1775 4.1775 4.1775 4.9615 4.9615 4.9615 4.9615 5.3753 5.3753 5.3753 5.3753 6.3968 6.3968 6.3968 6.3968 7.2680 7.2680 7.2680 7.2680 8.2217 8.2217 8.2217 8.2217 8.9313 8.9313 8.9313 8.9313 9.0455 9.0455 9.0455 9.0455 10.5275 10.5275 10.5275 10.5275 10.7759 10.7759 10.7759 10.7759 k = 0.5000-0.0000-0.0000 ( 4560 PWs) bands (ev): -2.8122 -2.8122 -2.8122 -2.8122 -0.6904 -0.6904 -0.6904 -0.6904 4.1775 4.1775 4.1775 4.1775 4.9615 4.9615 4.9615 4.9615 5.3753 5.3753 5.3753 5.3753 6.3968 6.3968 6.3968 6.3968 7.2680 7.2680 7.2680 7.2680 8.2217 8.2217 8.2217 8.2217 8.9313 8.9313 8.9313 8.9313 9.0455 9.0455 9.0455 9.0455 10.5275 10.5275 10.5275 10.5275 10.7759 10.7759 10.7759 10.7759 k = 0.5000 0.0123-0.0000 ( 4556 PWs) bands (ev): -2.8113 -2.8113 -2.8112 -2.8112 -0.6920 -0.6920 -0.6918 -0.6918 4.1762 4.1762 4.1810 4.1810 4.9394 4.9394 4.9526 4.9526 5.3806 5.3806 5.4060 5.4060 6.3872 6.3872 6.3980 6.3980 7.2676 7.2676 7.2693 7.2693 8.2167 8.2167 8.2238 8.2238 8.9307 8.9307 8.9322 8.9322 9.0449 9.0449 9.0464 9.0464 10.5242 10.5242 10.5269 10.5269 10.7572 10.7572 10.7828 10.7828 k = 0.5000 0.0245-0.0000 ( 4560 PWs) bands (ev): -2.8084 -2.8084 -2.8083 -2.8083 -0.6964 -0.6964 -0.6962 -0.6962 4.1769 4.1769 4.1866 4.1866 4.8956 4.8956 4.9162 4.9162 5.4182 5.4182 5.4637 5.4637 6.3694 6.3694 6.3913 6.3913 7.2680 7.2680 7.2714 7.2714 8.2089 8.2089 8.2230 8.2230 8.9305 8.9305 8.9335 8.9335 9.0447 9.0447 9.0478 9.0478 10.5171 10.5171 10.5224 10.5224 10.7313 10.7313 10.7770 10.7770 k = 0.5000 0.0368-0.0000 ( 4564 PWs) bands (ev): -2.8037 -2.8037 -2.8035 -2.8035 -0.7039 -0.7039 -0.7035 -0.7035 4.1797 4.1797 4.1943 4.1943 4.8411 4.8411 4.8641 4.8641 5.4759 5.4759 5.5373 5.5373 6.3439 6.3439 6.3774 6.3774 7.2685 7.2685 7.2736 7.2736 8.1991 8.1991 8.2198 8.2198 8.9306 8.9306 8.9351 8.9351 9.0450 9.0450 9.0495 9.0495 10.5063 10.5063 10.5140 10.5140 10.7030 10.7030 10.7617 10.7617 k = 0.5000 0.0491-0.0000 ( 4560 PWs) bands (ev): -2.7970 -2.7970 -2.7968 -2.7968 -0.7142 -0.7142 -0.7136 -0.7136 4.1845 4.1845 4.2040 4.2040 4.7828 4.7828 4.8054 4.8054 5.5434 5.5434 5.6196 5.6196 6.3117 6.3117 6.3579 6.3579 7.2679 7.2679 7.2749 7.2749 8.1881 8.1881 8.2147 8.2147 8.9311 8.9311 8.9371 8.9371 9.0458 9.0458 9.0515 9.0515 10.4923 10.4923 10.5019 10.5019 10.6756 10.6756 10.7418 10.7418 k = 0.5000 0.0614-0.0000 ( 4556 PWs) bands (ev): -2.7884 -2.7884 -2.7882 -2.7882 -0.7273 -0.7273 -0.7267 -0.7267 4.1910 4.1910 4.2156 4.2156 4.7246 4.7246 4.7456 4.7456 5.6142 5.6142 5.7064 5.7064 6.2739 6.2739 6.3348 6.3348 7.2651 7.2651 7.2744 7.2744 8.1771 8.1771 8.2089 8.2089 8.9318 8.9318 8.9394 8.9394 9.0469 9.0469 9.0537 9.0537 10.4756 10.4756 10.4863 10.4863 10.6513 10.6513 10.7206 10.7206 k = 0.5000 0.0736-0.0000 ( 4556 PWs) bands (ev): -2.7780 -2.7780 -2.7778 -2.7778 -0.7432 -0.7432 -0.7425 -0.7425 4.1990 4.1990 4.2288 4.2288 4.6686 4.6686 4.6874 4.6874 5.6832 5.6832 5.7943 5.7943 6.2325 6.2325 6.3109 6.3109 7.2584 7.2584 7.2706 7.2706 8.1676 8.1676 8.2034 8.2034 8.9329 8.9329 8.9421 8.9421 9.0483 9.0483 9.0560 9.0560 10.4569 10.4569 10.4677 10.4677 10.6311 10.6311 10.7003 10.7003 k = 0.5000 0.0859-0.0000 ( 4560 PWs) bands (ev): -2.7658 -2.7658 -2.7655 -2.7655 -0.7619 -0.7619 -0.7610 -0.7610 4.2082 4.2082 4.2431 4.2431 4.6162 4.6162 4.6328 4.6328 5.7451 5.7451 5.8790 5.8790 6.1911 6.1911 6.2906 6.2906 7.2465 7.2465 7.2625 7.2625 8.1610 8.1610 8.1995 8.1995 8.9342 8.9342 8.9451 8.9451 9.0499 9.0499 9.0583 9.0583 10.4368 10.4368 10.4470 10.4470 10.6154 10.6154 10.6821 10.6821 k = 0.5000 0.0982-0.0000 ( 4558 PWs) bands (ev): -2.7518 -2.7518 -2.7514 -2.7514 -0.7831 -0.7831 -0.7821 -0.7821 4.2180 4.2180 4.2581 4.2581 4.5687 4.5687 4.5832 4.5832 5.7936 5.7936 5.9501 5.9501 6.1597 6.1597 6.2798 6.2798 7.2282 7.2282 7.2491 7.2491 8.1587 8.1587 8.1985 8.1985 8.9358 8.9358 8.9484 8.9484 9.0516 9.0516 9.0607 9.0607 10.4163 10.4163 10.4255 10.4255 10.6042 10.6042 10.6664 10.6664 k = 0.5000 0.1104-0.0000 ( 4562 PWs) bands (ev): -2.7361 -2.7361 -2.7356 -2.7356 -0.8069 -0.8069 -0.8057 -0.8057 4.2276 4.2276 4.2723 4.2723 4.5272 4.5272 4.5403 4.5403 5.8218 5.8218 5.9789 5.9789 6.1666 6.1666 6.2849 6.2849 7.2026 7.2026 7.2296 7.2296 8.1617 8.1617 8.2015 8.2015 8.9378 8.9378 8.9520 8.9520 9.0536 9.0536 9.0629 9.0629 10.3960 10.3960 10.4040 10.4040 10.5970 10.5970 10.6534 10.6534 k = 0.5000 0.1227-0.0000 ( 4564 PWs) bands (ev): -2.7186 -2.7186 -2.7182 -2.7182 -0.8330 -0.8330 -0.8317 -0.8317 4.2360 4.2360 4.2840 4.2840 4.4930 4.4930 4.5063 4.5063 5.8261 5.8261 5.9537 5.9537 6.2234 6.2234 6.3094 6.3094 7.1696 7.1696 7.2039 7.2039 8.1708 8.1708 8.2094 8.2094 8.9400 8.9400 8.9559 8.9559 9.0556 9.0556 9.0652 9.0652 10.3768 10.3768 10.3837 10.3837 10.5937 10.5937 10.6432 10.6432 k = 0.5000 0.1350-0.0000 ( 4560 PWs) bands (ev): -2.6996 -2.6996 -2.6990 -2.6990 -0.8613 -0.8613 -0.8598 -0.8598 4.2416 4.2416 4.2902 4.2902 4.4677 4.4677 4.4841 4.4841 5.8090 5.8090 5.9049 5.9049 6.2992 6.2992 6.3505 6.3505 7.1292 7.1292 7.1719 7.1719 8.1862 8.1862 8.2228 8.2228 8.9425 8.9425 8.9602 8.9602 9.0577 9.0577 9.0673 9.0673 10.3593 10.3593 10.3651 10.3651 10.5940 10.5940 10.6359 10.6359 k = 0.5000 0.1473-0.0000 ( 4558 PWs) bands (ev): -2.6790 -2.6790 -2.6784 -2.6784 -0.8917 -0.8917 -0.8901 -0.8901 4.2431 4.2431 4.2884 4.2884 4.4527 4.4527 4.4764 4.4764 5.7766 5.7766 5.8482 5.8482 6.3779 6.3779 6.4018 6.4018 7.0822 7.0822 7.1341 7.1341 8.2078 8.2078 8.2417 8.2417 8.9454 8.9454 8.9647 8.9647 9.0598 9.0598 9.0694 9.0694 10.3439 10.3439 10.3489 10.3489 10.5981 10.5981 10.6315 10.6315 k = 0.5000 0.1595-0.0000 ( 4558 PWs) bands (ev): -2.6569 -2.6569 -2.6563 -2.6563 -0.9240 -0.9240 -0.9222 -0.9222 4.2399 4.2399 4.2791 4.2791 4.4481 4.4481 4.4824 4.4824 5.7347 5.7347 5.7885 5.7885 6.4541 6.4541 6.4570 6.4570 7.0299 7.0299 7.0917 7.0917 8.2350 8.2350 8.2661 8.2661 8.9485 8.9485 8.9694 8.9694 9.0620 9.0620 9.0713 9.0713 10.3311 10.3311 10.3351 10.3351 10.6061 10.6061 10.6300 10.6300 k = 0.5000 0.1718-0.0000 ( 4566 PWs) bands (ev): -2.6335 -2.6335 -2.6328 -2.6328 -0.9579 -0.9579 -0.9560 -0.9560 4.2333 4.2333 4.2655 4.2655 4.4526 4.4526 4.4985 4.4985 5.6876 5.6876 5.7278 5.7278 6.5112 6.5112 6.5248 6.5248 6.9741 6.9741 7.0461 7.0461 8.2671 8.2671 8.2955 8.2955 8.9518 8.9518 8.9745 8.9745 9.0642 9.0642 9.0732 9.0732 10.3210 10.3210 10.3240 10.3240 10.6182 10.6182 10.6316 10.6316 k = 0.5000 0.1841-0.0000 ( 4570 PWs) bands (ev): -2.6089 -2.6089 -2.6080 -2.6080 -0.9933 -0.9933 -0.9912 -0.9912 4.2253 4.2253 4.2512 4.2512 4.4638 4.4638 4.5208 4.5208 5.6380 5.6380 5.6676 5.6676 6.5594 6.5594 6.5872 6.5872 6.9182 6.9182 7.0000 7.0000 8.3031 8.3031 8.3292 8.3292 8.9555 8.9555 8.9798 8.9798 9.0665 9.0665 9.0750 9.0750 10.3140 10.3140 10.3155 10.3155 10.6349 10.6349 10.6364 10.6364 k = 0.5000 0.1964-0.0000 ( 4574 PWs) bands (ev): -2.5831 -2.5831 -2.5822 -2.5822 -1.0298 -1.0298 -1.0276 -1.0276 4.2178 4.2178 4.2383 4.2383 4.4793 4.4793 4.5467 4.5467 5.5882 5.5882 5.6086 5.6086 6.5948 6.5948 6.6370 6.6370 6.8684 6.8684 6.9579 6.9579 8.3419 8.3419 8.3663 8.3663 8.9595 8.9595 8.9853 8.9853 9.0689 9.0689 9.0767 9.0767 10.3095 10.3095 10.3098 10.3098 10.6449 10.6449 10.6567 10.6567 k = 0.5000 0.2086-0.0000 ( 4582 PWs) bands (ev): -2.5564 -2.5564 -2.5554 -2.5554 -1.0672 -1.0672 -1.0649 -1.0649 4.2121 4.2121 4.2281 4.2281 4.4968 4.4968 4.5739 4.5739 5.5400 5.5400 5.5518 5.5518 6.6050 6.6050 6.6666 6.6666 6.8369 6.8369 6.9279 6.9279 8.3824 8.3824 8.4059 8.4059 8.9638 8.9638 8.9911 8.9911 9.0714 9.0714 9.0784 9.0784 10.3055 10.3055 10.3083 10.3083 10.6573 10.6573 10.6840 10.6840 k = 0.5000 0.2209-0.0000 ( 4578 PWs) bands (ev): -2.5290 -2.5290 -2.5279 -2.5279 -1.1052 -1.1052 -1.1027 -1.1027 4.2092 4.2092 4.2211 4.2211 4.5149 4.5149 4.6010 4.6010 5.4951 5.4951 5.4983 5.4983 6.5797 6.5797 6.6668 6.6668 6.8343 6.8343 6.9200 6.9200 8.4234 8.4234 8.4467 8.4467 8.9684 8.9684 8.9972 8.9972 9.0740 9.0740 9.0801 9.0801 10.3035 10.3035 10.3093 10.3093 10.6741 10.6741 10.7171 10.7171 k = 0.5000 0.2332-0.0000 ( 4570 PWs) bands (ev): -2.5011 -2.5011 -2.4998 -2.4998 -1.1434 -1.1434 -1.1407 -1.1407 4.2095 4.2095 4.2177 4.2177 4.5319 4.5319 4.6263 4.6263 5.4490 5.4490 5.4552 5.4552 6.5271 6.5271 6.6386 6.6386 6.8529 6.8529 6.9339 6.9339 8.4639 8.4639 8.4875 8.4875 8.9732 8.9732 9.0034 9.0034 9.0769 9.0769 9.0818 9.0818 10.3029 10.3029 10.3122 10.3122 10.6957 10.6957 10.7565 10.7565 k = 0.5000 0.2454-0.0000 ( 4586 PWs) bands (ev): -2.4729 -2.4729 -2.4715 -2.4715 -1.1814 -1.1814 -1.1786 -1.1786 4.2132 4.2132 4.2177 4.2177 4.5466 4.5466 4.6481 4.6481 5.4048 5.4048 5.4222 5.4222 6.4609 6.4609 6.5936 6.5936 6.8794 6.8794 6.9590 6.9590 8.5027 8.5027 8.5271 8.5271 8.9782 8.9782 9.0095 9.0095 9.0800 9.0800 9.0835 9.0835 10.3033 10.3033 10.3165 10.3165 10.7221 10.7221 10.8020 10.8020 k = 0.5000 0.2577-0.0000 ( 4590 PWs) bands (ev): -2.4448 -2.4448 -2.4433 -2.4433 -1.2188 -1.2188 -1.2158 -1.2158 4.2205 4.2205 4.2212 4.2212 4.5574 4.5574 4.6650 4.6650 5.3668 5.3668 5.3981 5.3981 6.3888 6.3888 6.5411 6.5411 6.9070 6.9070 6.9872 6.9872 8.5390 8.5390 8.5645 8.5645 8.9833 8.9833 9.0158 9.0158 9.0833 9.0833 9.0853 9.0853 10.3045 10.3045 10.3218 10.3218 10.7535 10.7535 10.8533 10.8533 k = 0.5000 0.2700-0.0000 ( 4588 PWs) bands (ev): -2.4172 -2.4172 -2.4156 -2.4156 -1.2551 -1.2551 -1.2519 -1.2519 4.2279 4.2279 4.2312 4.2312 4.5633 4.5633 4.6753 4.6753 5.3360 5.3360 5.3844 5.3844 6.3141 6.3141 6.4863 6.4863 6.9330 6.9330 7.0144 7.0144 8.5721 8.5721 8.5988 8.5988 8.9884 8.9884 9.0219 9.0219 9.0869 9.0869 9.0872 9.0872 10.3061 10.3061 10.3273 10.3273 10.7893 10.7893 10.9099 10.9099 k = 0.5000 0.2823-0.0000 ( 4592 PWs) bands (ev): -2.3906 -2.3906 -2.3888 -2.3888 -1.2897 -1.2897 -1.2863 -1.2863 4.2374 4.2374 4.2453 4.2453 4.5633 4.5633 4.6783 4.6783 5.3128 5.3128 5.3823 5.3823 6.2387 6.2387 6.4321 6.4321 6.9563 6.9563 7.0391 7.0391 8.6014 8.6014 8.6293 8.6293 8.9934 8.9934 9.0276 9.0276 9.0891 9.0891 9.0907 9.0907 10.3079 10.3079 10.3328 10.3328 10.8288 10.8288 10.9703 10.9703 k = 0.5000 0.2945-0.0000 ( 4600 PWs) bands (ev): -2.3654 -2.3654 -2.3634 -2.3634 -1.3220 -1.3220 -1.3184 -1.3184 4.2493 4.2493 4.2626 4.2626 4.5569 4.5569 4.6741 4.6741 5.2971 5.2971 5.3917 5.3917 6.1639 6.1639 6.3804 6.3804 6.9766 6.9766 7.0605 7.0605 8.6268 8.6268 8.6555 8.6555 8.9980 8.9980 9.0328 9.0328 9.0912 9.0912 9.0946 9.0946 10.3097 10.3097 10.3379 10.3379 10.8704 10.8704 11.0329 11.0329 k = 0.5000 0.3068-0.0000 ( 4608 PWs) bands (ev): -2.3423 -2.3423 -2.3402 -2.3402 -1.3513 -1.3513 -1.3475 -1.3475 4.2629 4.2629 4.2829 4.2829 4.5443 4.5443 4.6639 4.6639 5.2883 5.2883 5.4116 5.4116 6.0910 6.0910 6.3330 6.3330 6.9936 6.9936 7.0786 7.0786 8.6480 8.6480 8.6774 8.6774 9.0021 9.0021 9.0374 9.0374 9.0932 9.0932 9.0985 9.0985 10.3114 10.3114 10.3423 10.3423 10.9123 10.9123 11.0953 11.0953 k = 0.5000 0.3191-0.0000 ( 4606 PWs) bands (ev): -2.3220 -2.3220 -2.3197 -2.3197 -1.3768 -1.3768 -1.3729 -1.3729 4.2773 4.2773 4.3057 4.3057 4.5261 4.5261 4.6498 4.6498 5.2850 5.2850 5.4400 5.4400 6.0213 6.0213 6.2913 6.2913 7.0075 7.0075 7.0932 7.0932 8.6652 8.6652 8.6950 8.6950 9.0056 9.0056 9.0412 9.0412 9.0952 9.0952 9.1022 9.1022 10.3128 10.3128 10.3460 10.3460 10.9520 10.9520 11.1543 11.1543 k = 0.5000 0.3313-0.0000 ( 4604 PWs) bands (ev): -2.3051 -2.3051 -2.3027 -2.3027 -1.3977 -1.3977 -1.3937 -1.3937 4.2914 4.2914 4.3308 4.3308 4.5035 4.5035 4.6343 4.6343 5.2853 5.2853 5.4736 5.4736 5.9569 5.9569 6.2568 6.2568 7.0182 7.0182 7.1045 7.1045 8.6783 8.6783 8.7084 8.7084 9.0084 9.0084 9.0442 9.0442 9.0970 9.0970 9.1054 9.1054 10.3140 10.3140 10.3489 10.3489 10.9869 10.9869 11.2064 11.2064 k = 0.5000 0.3436-0.0000 ( 4608 PWs) bands (ev): -2.2925 -2.2925 -2.2900 -2.2900 -1.4134 -1.4134 -1.4092 -1.4092 4.3035 4.3035 4.3573 4.3573 4.4780 4.4780 4.6203 4.6203 5.2873 5.2873 5.5081 5.5081 5.9012 5.9012 6.2310 6.2310 7.0257 7.0257 7.1125 7.1125 8.6876 8.6876 8.7177 8.7177 9.0104 9.0104 9.0462 9.0462 9.0984 9.0984 9.1079 9.1079 10.3149 10.3149 10.3510 10.3510 11.0142 11.0142 11.2477 11.2477 k = 0.5000 0.3559-0.0000 ( 4604 PWs) bands (ev): -2.2846 -2.2846 -2.2821 -2.2821 -1.4230 -1.4230 -1.4188 -1.4188 4.3119 4.3119 4.3840 4.3840 4.4517 4.4517 4.6104 4.6104 5.2893 5.2893 5.5361 5.5361 5.8608 5.8608 6.2149 6.2149 7.0303 7.0303 7.1173 7.1173 8.6931 8.6931 8.7233 8.7233 9.0116 9.0116 9.0474 9.0474 9.0993 9.0993 9.1094 9.1094 10.3154 10.3154 10.3523 10.3523 11.0317 11.0317 11.2744 11.2744 k = 0.5000 0.3682-0.0000 ( 4592 PWs) bands (ev): -2.2820 -2.2820 -2.2794 -2.2794 -1.4263 -1.4263 -1.4220 -1.4220 4.3149 4.3149 4.4010 4.4010 4.4347 4.4347 4.6068 4.6068 5.2901 5.2901 5.5474 5.5474 5.8454 5.8454 6.2095 6.2095 7.0318 7.0318 7.1189 7.1189 8.6949 8.6949 8.7251 8.7251 9.0120 9.0120 9.0479 9.0479 9.0997 9.0997 9.1100 9.1100 10.3156 10.3156 10.3527 10.3527 11.0377 11.0377 11.2836 11.2836 k = 0.5000 0.3682-0.0000 ( 4592 PWs) bands (ev): -2.2820 -2.2820 -2.2794 -2.2794 -1.4263 -1.4263 -1.4220 -1.4220 4.3149 4.3149 4.4010 4.4010 4.4347 4.4347 4.6068 4.6068 5.2901 5.2901 5.5474 5.5474 5.8454 5.8454 6.2095 6.2095 7.0318 7.0318 7.1189 7.1189 8.6949 8.6949 8.7251 8.7251 9.0120 9.0120 9.0479 9.0479 9.0997 9.0997 9.1100 9.1100 10.3156 10.3156 10.3527 10.3527 11.0377 11.0377 11.2836 11.2836 k = 0.4878 0.3682-0.0000 ( 4596 PWs) bands (ev): -2.2843 -2.2843 -2.2817 -2.2817 -1.4255 -1.4255 -1.4212 -1.4212 4.3002 4.3002 4.4186 4.4186 4.4309 4.4309 4.6134 4.6134 5.2826 5.2826 5.5420 5.5420 5.8554 5.8554 6.2166 6.2166 7.0341 7.0341 7.1205 7.1205 8.6946 8.6946 8.7248 8.7248 9.0121 9.0121 9.0478 9.0478 9.0996 9.0996 9.1099 9.1099 10.3150 10.3150 10.3521 10.3521 11.0383 11.0383 11.2839 11.2839 k = 0.4756 0.3682-0.0000 ( 4598 PWs) bands (ev): -2.2913 -2.2913 -2.2887 -2.2887 -1.4231 -1.4231 -1.4188 -1.4188 4.2718 4.2718 4.4207 4.4207 4.4559 4.4559 4.6315 4.6315 5.2622 5.2622 5.5268 5.5268 5.8839 5.8839 6.2371 6.2371 7.0411 7.0411 7.1253 7.1253 8.6938 8.6938 8.7240 8.7240 9.0125 9.0125 9.0477 9.0477 9.0994 9.0994 9.1097 9.1097 10.3133 10.3133 10.3501 10.3501 11.0398 11.0398 11.2850 11.2850 k = 0.4634 0.3682-0.0000 ( 4598 PWs) bands (ev): -2.3028 -2.3028 -2.3002 -2.3002 -1.4193 -1.4193 -1.4151 -1.4151 4.2412 4.2412 4.4068 4.4068 4.5009 4.5009 4.6581 4.6581 5.2335 5.2335 5.5042 5.5042 5.9265 5.9265 6.2686 6.2686 7.0528 7.0528 7.1333 7.1333 8.6925 8.6925 8.7226 8.7226 9.0131 9.0131 9.0475 9.0475 9.0994 9.0994 9.1094 9.1094 10.3103 10.3103 10.3468 10.3468 11.0422 11.0422 11.2867 11.2867 k = 0.4512 0.3682-0.0000 ( 4594 PWs) bands (ev): -2.3184 -2.3184 -2.3159 -2.3159 -1.4144 -1.4144 -1.4101 -1.4101 4.2112 4.2112 4.3907 4.3907 4.5507 4.5507 4.6906 4.6906 5.2015 5.2015 5.4771 5.4771 5.9789 5.9789 6.3080 6.3080 7.0695 7.0695 7.1446 7.1446 8.6905 8.6905 8.7206 8.7206 9.0139 9.0139 9.0469 9.0469 9.0997 9.0997 9.1092 9.1092 10.3064 10.3064 10.3424 10.3424 11.0456 11.0456 11.2890 11.2890 k = 0.4390 0.3682-0.0000 ( 4594 PWs) bands (ev): -2.3379 -2.3379 -2.3354 -2.3354 -1.4085 -1.4085 -1.4042 -1.4042 4.1822 4.1822 4.3731 4.3731 4.6044 4.6044 4.7270 4.7270 5.1709 5.1709 5.4483 5.4483 6.0376 6.0376 6.3525 6.3525 7.0912 7.0912 7.1592 7.1592 8.6881 8.6881 8.7180 8.7180 9.0148 9.0148 9.0460 9.0460 9.1007 9.1007 9.1093 9.1093 10.3013 10.3013 10.3367 10.3367 11.0498 11.0498 11.2920 11.2920 k = 0.4268 0.3682-0.0000 ( 4594 PWs) bands (ev): -2.3608 -2.3608 -2.3584 -2.3584 -1.4020 -1.4020 -1.3978 -1.3978 4.1540 4.1540 4.3537 4.3537 4.6617 4.6617 4.7655 4.7655 5.1458 5.1458 5.4202 5.4202 6.0999 6.0999 6.3996 6.3996 7.1183 7.1183 7.1772 7.1772 8.6850 8.6850 8.7148 8.7148 9.0156 9.0156 9.0445 9.0445 9.1027 9.1027 9.1100 9.1100 10.2953 10.2953 10.3300 10.3300 11.0547 11.0547 11.2955 11.2955 k = 0.4146 0.3682-0.0000 ( 4586 PWs) bands (ev): -2.3866 -2.3866 -2.3843 -2.3843 -1.3953 -1.3953 -1.3911 -1.3911 4.1264 4.1264 4.3319 4.3319 4.7224 4.7224 4.8044 4.8044 5.1300 5.1300 5.3947 5.3947 6.1642 6.1642 6.4474 6.4474 7.1507 7.1507 7.1986 7.1986 8.6815 8.6815 8.7111 8.7111 9.0164 9.0164 9.0426 9.0426 9.1059 9.1059 9.1116 9.1116 10.2885 10.2885 10.3223 10.3223 11.0602 11.0602 11.2997 11.2997 k = 0.4024 0.3682-0.0000 ( 4582 PWs) bands (ev): -2.4151 -2.4151 -2.4128 -2.4128 -1.3887 -1.3887 -1.3844 -1.3844 4.0988 4.0988 4.3068 4.3068 4.7862 4.7862 4.8420 4.8420 5.1270 5.1270 5.3734 5.3734 6.2288 6.2288 6.4945 6.4945 7.1884 7.1884 7.2234 7.2234 8.6775 8.6775 8.7068 8.7068 9.0170 9.0170 9.0402 9.0402 9.1106 9.1106 9.1143 9.1143 10.2809 10.2809 10.3138 10.3138 11.0663 11.0663 11.3043 11.3043 k = 0.3902 0.3682-0.0000 ( 4578 PWs) bands (ev): -2.4457 -2.4457 -2.4435 -2.4435 -1.3823 -1.3823 -1.3781 -1.3781 4.0709 4.0709 4.2779 4.2779 4.8532 4.8532 4.8770 4.8770 5.1390 5.1390 5.3574 5.3574 6.2929 6.2929 6.5399 6.5399 7.2311 7.2311 7.2517 7.2517 8.6732 8.6732 8.7019 8.7019 9.0174 9.0174 9.0376 9.0376 9.1167 9.1167 9.1184 9.1184 10.2726 10.2726 10.3045 10.3045 11.0728 11.0728 11.3095 11.3095 k = 0.3780 0.3682-0.0000 ( 4566 PWs) bands (ev): -2.4780 -2.4780 -2.4759 -2.4759 -1.3764 -1.3764 -1.3722 -1.3722 4.0422 4.0422 4.2448 4.2448 4.9097 4.9097 4.9230 4.9230 5.1665 5.1665 5.3477 5.3477 6.3556 6.3556 6.5829 6.5829 7.2782 7.2782 7.2833 7.2833 8.6686 8.6686 8.6968 8.6968 9.0175 9.0175 9.0351 9.0351 9.1240 9.1240 9.1246 9.1246 10.2638 10.2638 10.2946 10.2946 11.0797 11.0797 11.3153 11.3153 k = 0.3659 0.3682-0.0000 ( 4562 PWs) bands (ev): -2.5118 -2.5118 -2.5098 -2.5098 -1.3713 -1.3713 -1.3671 -1.3671 4.0123 4.0123 4.2075 4.2075 4.9420 4.9420 4.9957 4.9957 5.2074 5.2074 5.3448 5.3448 6.4162 6.4162 6.6233 6.6233 7.3180 7.3180 7.3291 7.3291 8.6639 8.6639 8.6912 8.6912 9.0174 9.0174 9.0327 9.0327 9.1314 9.1314 9.1341 9.1341 10.2546 10.2546 10.2842 10.2842 11.0869 11.0869 11.3217 11.3217 k = 0.3537 0.3682-0.0000 ( 4566 PWs) bands (ev): -2.5466 -2.5466 -2.5447 -2.5447 -1.3670 -1.3670 -1.3629 -1.3629 3.9812 3.9812 4.1666 4.1666 4.9764 4.9764 5.0711 5.0711 5.2588 5.2588 5.3491 5.3491 6.4743 6.4743 6.6611 6.6611 7.3557 7.3557 7.3825 7.3825 8.6595 8.6595 8.6855 8.6855 9.0172 9.0172 9.0307 9.0307 9.1405 9.1405 9.1454 9.1454 10.2451 10.2451 10.2735 10.2735 11.0945 11.0945 11.3287 11.3287 k = 0.3415 0.3682-0.0000 ( 4562 PWs) bands (ev): -2.5822 -2.5822 -2.5804 -2.5804 -1.3636 -1.3636 -1.3596 -1.3596 3.9486 3.9486 4.1226 4.1226 5.0148 5.0148 5.1490 5.1490 5.3178 5.3178 5.3608 5.3608 6.5294 6.5294 6.6964 6.6964 7.3958 7.3958 7.4374 7.4374 8.6555 8.6555 8.6800 8.6800 9.0171 9.0171 9.0294 9.0294 9.1513 9.1513 9.1587 9.1587 10.2355 10.2355 10.2627 10.2627 11.1024 11.1024 11.3366 11.3366 k = 0.3293 0.3682-0.0000 ( 4552 PWs) bands (ev): -2.6183 -2.6183 -2.6166 -2.6166 -1.3612 -1.3612 -1.3573 -1.3573 3.9146 3.9146 4.0764 4.0764 5.0583 5.0583 5.2294 5.2294 5.3796 5.3796 5.3826 5.3826 6.5815 6.5815 6.7295 6.7295 7.4379 7.4379 7.4924 7.4924 8.6524 8.6524 8.6747 8.6747 9.0172 9.0172 9.0287 9.0287 9.1641 9.1641 9.1741 9.1741 10.2259 10.2259 10.2520 10.2520 11.1108 11.1108 11.3453 11.3453 k = 0.3171 0.3682-0.0000 ( 4548 PWs) bands (ev): -2.6546 -2.6546 -2.6530 -2.6530 -1.3599 -1.3599 -1.3560 -1.3560 3.8794 3.8794 4.0286 4.0286 5.1071 5.1071 5.3120 5.3120 5.4055 5.4055 5.4516 5.4516 6.6304 6.6304 6.7607 6.7607 7.4812 7.4812 7.5463 7.5463 8.6505 8.6505 8.6701 8.6701 9.0174 9.0174 9.0286 9.0286 9.1785 9.1785 9.1917 9.1917 10.2166 10.2166 10.2414 10.2414 11.1196 11.1196 11.3550 11.3550 k = 0.3049 0.3682-0.0000 ( 4546 PWs) bands (ev): -2.6910 -2.6910 -2.6894 -2.6894 -1.3596 -1.3596 -1.3558 -1.3558 3.8431 3.8431 3.9799 3.9799 5.1611 5.1611 5.3966 5.3966 5.4380 5.4380 5.5240 5.5240 6.6761 6.6761 6.7902 6.7902 7.5250 7.5250 7.5977 7.5977 8.6502 8.6502 8.6665 8.6665 9.0180 9.0180 9.0293 9.0293 9.1946 9.1946 9.2118 9.2118 10.2078 10.2078 10.2314 10.2314 11.1289 11.1289 11.3658 11.3658 k = 0.2927 0.3682-0.0000 ( 4540 PWs) bands (ev): -2.7271 -2.7271 -2.7256 -2.7256 -1.3603 -1.3603 -1.3566 -1.3566 3.8060 3.8060 3.9309 3.9309 5.2198 5.2198 5.4719 5.4719 5.4879 5.4879 5.5992 5.5992 6.7187 6.7187 6.8183 6.8183 7.5683 7.5683 7.6454 7.6454 8.6520 8.6520 8.6643 8.6643 9.0189 9.0189 9.0306 9.0306 9.2124 9.2124 9.2345 9.2345 10.1998 10.1998 10.2222 10.2222 11.1388 11.1388 11.3779 11.3779 k = 0.2805 0.3682-0.0000 ( 4548 PWs) bands (ev): -2.7629 -2.7629 -2.7615 -2.7615 -1.3620 -1.3620 -1.3583 -1.3583 3.7684 3.7684 3.8821 3.8821 5.2828 5.2828 5.5173 5.5173 5.5749 5.5749 5.6769 5.6769 6.7583 6.7583 6.8450 6.8450 7.6104 7.6104 7.6883 7.6883 8.6560 8.6560 8.6637 8.6637 9.0200 9.0200 9.0324 9.0324 9.2317 9.2317 9.2597 9.2597 10.1930 10.1930 10.2141 10.2141 11.1495 11.1495 11.3913 11.3913 k = 0.2683 0.3682-0.0000 ( 4548 PWs) bands (ev): -2.7981 -2.7981 -2.7968 -2.7968 -1.3645 -1.3645 -1.3610 -1.3610 3.7306 3.7306 3.8339 3.8339 5.3494 5.3494 5.5651 5.5651 5.6659 5.6659 5.7566 5.7566 6.7952 6.7952 6.8707 6.8707 7.6504 7.6504 7.7257 7.7257 8.6624 8.6624 8.6650 8.6650 9.0215 9.0215 9.0348 9.0348 9.2525 9.2525 9.2874 9.2874 10.1879 10.1879 10.2076 10.2076 11.1609 11.1609 11.4063 11.4063 k = 0.2561 0.3682-0.0000 ( 4536 PWs) bands (ev): -2.8326 -2.8326 -2.8314 -2.8314 -1.3678 -1.3678 -1.3644 -1.3644 3.6929 3.6929 3.7866 3.7866 5.4190 5.4190 5.6165 5.6165 5.7590 5.7590 5.8381 5.8381 6.8293 6.8293 6.8954 6.8954 7.6874 7.6874 7.7571 7.7571 8.6686 8.6686 8.6712 8.6712 9.0231 9.0231 9.0374 9.0374 9.2748 9.2748 9.3175 9.3175 10.1853 10.1853 10.2031 10.2031 11.1732 11.1732 11.4228 11.4228 k = 0.2439 0.3682-0.0000 ( 4528 PWs) bands (ev): -2.8663 -2.8663 -2.8651 -2.8651 -1.3718 -1.3718 -1.3686 -1.3686 3.6555 3.6555 3.7404 3.7404 5.4907 5.4907 5.6708 5.6708 5.8536 5.8536 5.9213 5.9213 6.8610 6.8610 6.9192 6.9192 7.7209 7.7209 7.7824 7.7824 8.6744 8.6744 8.6822 8.6822 9.0248 9.0248 9.0401 9.0401 9.2981 9.2981 9.3492 9.3492 10.1858 10.1858 10.2010 10.2010 11.1862 11.1862 11.4409 11.4409 k = 0.2317 0.3682-0.0000 ( 4528 PWs) bands (ev): -2.8990 -2.8990 -2.8979 -2.8979 -1.3765 -1.3765 -1.3734 -1.3734 3.6188 3.6188 3.6956 3.6956 5.5641 5.5641 5.7274 5.7274 5.9496 5.9496 6.0060 6.0060 6.8903 6.8903 6.9421 6.9421 7.7504 7.7504 7.8016 7.8016 8.6825 8.6825 8.6950 8.6950 9.0264 9.0264 9.0427 9.0427 9.3222 9.3222 9.3819 9.3819 10.1905 10.1905 10.2020 10.2020 11.2001 11.2001 11.4607 11.4607 k = 0.2195 0.3682-0.0000 ( 4524 PWs) bands (ev): -2.9306 -2.9306 -2.9296 -2.9296 -1.3816 -1.3816 -1.3786 -1.3786 3.5830 3.5830 3.6524 3.6524 5.6382 5.6382 5.7857 5.7857 6.0466 6.0466 6.0919 6.0919 6.9175 6.9175 6.9642 6.9642 7.7757 7.7757 7.8153 7.8153 8.6928 8.6928 8.7091 8.7091 9.0277 9.0277 9.0450 9.0450 9.3467 9.3467 9.4143 9.4143 10.2003 10.2003 10.2067 10.2067 11.2148 11.2148 11.4820 11.4820 k = 0.2073 0.3682-0.0000 ( 4536 PWs) bands (ev): -2.9610 -2.9610 -2.9601 -2.9601 -1.3872 -1.3872 -1.3844 -1.3844 3.5482 3.5482 3.6109 3.6109 5.7125 5.7125 5.8450 5.8450 6.1439 6.1439 6.1788 6.1788 6.9425 6.9425 6.9857 6.9857 7.7970 7.7970 7.8241 7.8241 8.7048 8.7048 8.7241 8.7241 9.0284 9.0284 9.0468 9.0468 9.3711 9.3711 9.4453 9.4453 10.2158 10.2158 10.2165 10.2165 11.2300 11.2300 11.5048 11.5048 k = 0.1951 0.3682-0.0000 ( 4534 PWs) bands (ev): -2.9901 -2.9901 -2.9893 -2.9893 -1.3931 -1.3931 -1.3904 -1.3904 3.5147 3.5147 3.5713 3.5713 5.7863 5.7863 5.9048 5.9048 6.2410 6.2410 6.2663 6.2663 6.9657 6.9657 7.0067 7.0067 7.8145 7.8145 7.8290 7.8290 8.7183 8.7183 8.7395 8.7395 9.0284 9.0284 9.0479 9.0479 9.3948 9.3948 9.4732 9.4732 10.2299 10.2299 10.2401 10.2401 11.2456 11.2456 11.5290 11.5290 k = 0.1829 0.3682-0.0000 ( 4520 PWs) bands (ev): -3.0178 -3.0178 -3.0171 -3.0171 -1.3992 -1.3992 -1.3966 -1.3966 3.4826 3.4826 3.5336 3.5336 5.8591 5.8591 5.9647 5.9647 6.3370 6.3370 6.3537 6.3537 6.9871 6.9871 7.0275 7.0275 7.8288 7.8288 7.8310 7.8310 8.7328 8.7328 8.7550 8.7550 9.0275 9.0275 9.0482 9.0482 9.4172 9.4172 9.4971 9.4971 10.2497 10.2497 10.2719 10.2719 11.2615 11.2615 11.5541 11.5541 k = 0.1707 0.3682-0.0000 ( 4520 PWs) bands (ev): -3.0441 -3.0441 -3.0434 -3.0434 -1.4054 -1.4054 -1.4030 -1.4030 3.4521 3.4521 3.4979 3.4979 5.9303 5.9303 6.0240 6.0240 6.4306 6.4306 6.4404 6.4404 7.0071 7.0071 7.0484 7.0484 7.8310 7.8310 7.8407 7.8407 8.7479 8.7479 8.7702 8.7702 9.0253 9.0253 9.0472 9.0472 9.4374 9.4374 9.5158 9.5158 10.2755 10.2755 10.3121 10.3121 11.2771 11.2771 11.5800 11.5800 k = 0.1585 0.3682-0.0000 ( 4532 PWs) bands (ev): -3.0689 -3.0689 -3.0682 -3.0682 -1.4116 -1.4116 -1.4093 -1.4093 3.4233 3.4233 3.4644 3.4644 5.9994 5.9994 6.0824 6.0824 6.5204 6.5204 6.5252 6.5252 7.0261 7.0261 7.0699 7.0699 7.8301 7.8301 7.8510 7.8510 8.7631 8.7631 8.7849 8.7849 9.0218 9.0218 9.0450 9.0450 9.4551 9.4551 9.5292 9.5292 10.3075 10.3075 10.3603 10.3603 11.2923 11.2923 11.6061 11.6061 k = 0.1463 0.3682-0.0000 ( 4536 PWs) bands (ev): -3.0920 -3.0920 -3.0914 -3.0914 -1.4177 -1.4177 -1.4156 -1.4156 3.3964 3.3964 3.4331 3.4331 6.0662 6.0662 6.1395 6.1395 6.6044 6.6044 6.6067 6.6067 7.0444 7.0444 7.0927 7.0927 7.8296 7.8296 7.8606 7.8606 8.7781 8.7781 8.7990 8.7990 9.0167 9.0167 9.0413 9.0413 9.4699 9.4699 9.5373 9.5373 10.3455 10.3455 10.4157 10.4157 11.3066 11.3066 11.6319 11.6319 k = 0.1341 0.3682-0.0000 ( 4540 PWs) bands (ev): -3.1135 -3.1135 -3.1130 -3.1130 -1.4236 -1.4236 -1.4217 -1.4217 3.3713 3.3713 3.4040 3.4040 6.1303 6.1303 6.1949 6.1949 6.6805 6.6805 6.6829 6.6829 7.0630 7.0630 7.1177 7.1177 7.8305 7.8305 7.8707 7.8707 8.7927 8.7927 8.8123 8.8123 9.0099 9.0099 9.0360 9.0360 9.4817 9.4817 9.5407 9.5407 10.3890 10.3890 10.4769 10.4769 11.3198 11.3198 11.6567 11.6567 k = 0.1220 0.3682-0.0000 ( 4540 PWs) bands (ev): -3.1333 -3.1333 -3.1328 -3.1328 -1.4293 -1.4293 -1.4276 -1.4276 3.3483 3.3483 3.3773 3.3773 6.1914 6.1914 6.2483 6.2483 6.7464 6.7464 6.7517 6.7517 7.0830 7.0830 7.1454 7.1454 7.8344 7.8344 7.8821 7.8821 8.8067 8.8067 8.8247 8.8247 9.0014 9.0014 9.0290 9.0290 9.4903 9.4903 9.5403 9.5403 10.4372 10.4372 10.5421 10.5421 11.3315 11.3315 11.6796 11.6796 k = 0.1098 0.3682-0.0000 ( 4536 PWs) bands (ev): -3.1514 -3.1514 -3.1509 -3.1509 -1.4347 -1.4347 -1.4331 -1.4331 3.3274 3.3274 3.3528 3.3528 6.2492 6.2492 6.2992 6.2992 6.8003 6.8003 6.8104 6.8104 7.1055 7.1055 7.1758 7.1758 7.8424 7.8424 7.8958 7.8958 8.8199 8.8199 8.8361 8.8361 8.9913 8.9913 9.0201 9.0201 9.4962 9.4962 9.5369 9.5369 10.4891 10.4891 10.6093 10.6093 11.3418 11.3418 11.6994 11.6994 k = 0.0976 0.3682-0.0000 ( 4540 PWs) bands (ev): -3.1676 -3.1676 -3.1672 -3.1672 -1.4397 -1.4397 -1.4383 -1.4383 3.3086 3.3086 3.3308 3.3308 6.3035 6.3035 6.3473 6.3473 6.8419 6.8419 6.8569 6.8569 7.1314 7.1314 7.2075 7.2075 7.8558 7.8558 7.9125 7.9125 8.8322 8.8322 8.8464 8.8464 8.9796 8.9796 9.0094 9.0094 9.4995 9.4995 9.5313 9.5313 10.5435 10.5435 10.6765 10.6765 11.3508 11.3508 11.7145 11.7145 k = 0.0854 0.3682-0.0000 ( 4534 PWs) bands (ev): -3.1820 -3.1820 -3.1817 -3.1817 -1.4442 -1.4442 -1.4429 -1.4429 3.2921 3.2921 3.3111 3.3111 6.3539 6.3539 6.3921 6.3921 6.8720 6.8720 6.8905 6.8905 7.1605 7.1605 7.2382 7.2382 7.8753 7.8753 7.9325 7.9325 8.8434 8.8434 8.8557 8.8557 8.9667 8.9667 8.9970 8.9970 9.5008 9.5008 9.5244 9.5244 10.5990 10.5990 10.7412 10.7412 11.3594 11.3594 11.7231 11.7231 k = 0.0732 0.3682-0.0000 ( 4538 PWs) bands (ev): -3.1946 -3.1946 -3.1943 -3.1943 -1.4482 -1.4482 -1.4471 -1.4471 3.2778 3.2778 3.2938 3.2938 6.4001 6.4001 6.4330 6.4330 6.8926 6.8926 6.9125 6.9125 7.1908 7.1908 7.2652 7.2652 7.9008 7.9008 7.9555 7.9555 8.8536 8.8536 8.8636 8.8636 8.9530 8.9530 8.9830 8.9830 9.5003 9.5003 9.5169 9.5169 10.6543 10.6543 10.8007 10.8007 11.3687 11.3687 11.7229 11.7229 k = 0.0610 0.3682-0.0000 ( 4542 PWs) bands (ev): -3.2053 -3.2053 -3.2050 -3.2050 -1.4517 -1.4517 -1.4508 -1.4508 3.2659 3.2659 3.2790 3.2790 6.4415 6.4415 6.4694 6.4694 6.9060 6.9060 6.9252 6.9252 7.2200 7.2200 7.2866 7.2866 7.9309 7.9309 7.9802 7.9802 8.8625 8.8625 8.8702 8.8702 8.9392 8.9392 8.9680 8.9680 9.4987 9.4987 9.5096 9.5096 10.7082 10.7082 10.8519 10.8519 11.3806 11.3806 11.7123 11.7123 k = 0.0488 0.3682-0.0000 ( 4546 PWs) bands (ev): -3.2140 -3.2140 -3.2138 -3.2138 -1.4546 -1.4546 -1.4538 -1.4538 3.2563 3.2563 3.2667 3.2667 6.4777 6.4777 6.5005 6.5005 6.9143 6.9143 6.9313 6.9313 7.2461 7.2461 7.3018 7.3018 7.9631 7.9631 8.0050 8.0050 8.8702 8.8702 8.8753 8.8753 8.9261 8.9261 8.9527 8.9527 9.4963 9.4963 9.5028 9.5028 10.7592 10.7592 10.8918 10.8918 11.3975 11.3975 11.6905 11.6905 k = 0.0366 0.3682-0.0000 ( 4546 PWs) bands (ev): -3.2208 -3.2208 -3.2207 -3.2207 -1.4568 -1.4568 -1.4563 -1.4563 3.2490 3.2490 3.2568 3.2568 6.5079 6.5079 6.5254 6.5254 6.9191 6.9191 6.9329 6.9329 7.2681 7.2681 7.3109 7.3109 7.9945 7.9945 8.0271 8.0271 8.8763 8.8763 8.8789 8.8789 8.9152 8.9152 8.9380 8.9380 9.4937 9.4937 9.4973 9.4973 10.8063 10.8063 10.9178 10.9178 11.4213 11.4213 11.6589 11.6589 k = 0.0244 0.3682-0.0000 ( 4554 PWs) bands (ev): -3.2257 -3.2257 -3.2256 -3.2256 -1.4584 -1.4584 -1.4580 -1.4580 3.2442 3.2442 3.2493 3.2493 6.5312 6.5312 6.5432 6.5432 6.9221 6.9221 6.9318 6.9318 7.2857 7.2857 7.3146 7.3146 8.0216 8.0216 8.0440 8.0440 8.8803 8.8803 8.8810 8.8810 8.9079 8.9079 8.9252 8.9252 9.4915 9.4915 9.4931 9.4931 10.8479 10.8479 10.9287 10.9287 11.4526 11.4526 11.6201 11.6201 k = 0.0122 0.3682-0.0000 ( 4554 PWs) bands (ev): -3.2286 -3.2286 -3.2286 -3.2286 -1.4593 -1.4593 -1.4592 -1.4592 3.2418 3.2418 3.2444 3.2444 6.5469 6.5469 6.5530 6.5530 6.9245 6.9245 6.9295 6.9295 7.2991 7.2991 7.3136 7.3136 8.0416 8.0416 8.0529 8.0529 8.8818 8.8818 8.8819 8.8819 8.9059 8.9059 8.9152 8.9152 9.4900 9.4900 9.4906 9.4906 10.8828 10.8828 10.9252 10.9252 11.4906 11.4906 11.5771 11.5771 k = 0.0000 0.3682-0.0000 ( 4550 PWs) bands (ev): -3.2296 -3.2296 -3.2296 -3.2296 -1.4596 -1.4596 -1.4596 -1.4596 3.2419 3.2419 3.2419 3.2419 6.5543 6.5543 6.5543 6.5543 6.9269 6.9269 6.9269 6.9269 7.3083 7.3083 7.3083 7.3083 8.0524 8.0524 8.0524 8.0524 8.8821 8.8821 8.8821 8.8821 8.9087 8.9087 8.9087 8.9087 9.4896 9.4896 9.4896 9.4896 10.9092 10.9092 10.9092 10.9092 11.5330 11.5330 11.5330 11.5330 k = 0.0000 0.3682-0.0000 ( 4550 PWs) bands (ev): -3.2296 -3.2296 -3.2296 -3.2296 -1.4596 -1.4596 -1.4596 -1.4596 3.2419 3.2419 3.2419 3.2419 6.5543 6.5543 6.5543 6.5543 6.9269 6.9269 6.9269 6.9269 7.3083 7.3083 7.3083 7.3083 8.0524 8.0524 8.0524 8.0524 8.8821 8.8821 8.8821 8.8821 8.9087 8.9087 8.9087 8.9087 9.4896 9.4896 9.4896 9.4896 10.9092 10.9092 10.9092 10.9092 11.5330 11.5330 11.5330 11.5330 k = 0.0000 0.3559-0.0000 ( 4554 PWs) bands (ev): -3.3061 -3.3061 -3.1511 -3.1511 -1.4712 -1.4712 -1.4488 -1.4488 3.2396 3.2396 3.2497 3.2497 6.5331 6.5331 6.5744 6.5744 6.8245 6.8245 6.9976 6.9976 7.2458 7.2458 7.3981 7.3981 8.0081 8.0081 8.0959 8.0959 8.8776 8.8776 8.8851 8.8851 8.8968 8.8968 8.9199 8.9199 9.4390 9.4390 9.5409 9.5409 10.8967 10.8967 10.9187 10.9187 11.5017 11.5017 11.5653 11.5653 k = 0.0000 0.3436-0.0000 ( 4550 PWs) bands (ev): -3.3806 -3.3806 -3.0709 -3.0709 -1.4836 -1.4836 -1.4389 -1.4389 3.2427 3.2427 3.2631 3.2631 6.5073 6.5073 6.5945 6.5945 6.7018 6.7018 7.0351 7.0351 7.2103 7.2103 7.5080 7.5080 7.9633 7.9633 8.1388 8.1388 8.8718 8.8718 8.8810 8.8810 8.8900 8.8900 8.9304 8.9304 9.3897 9.3897 9.5924 9.5924 10.8814 10.8814 10.9251 10.9251 11.4721 11.4721 11.5981 11.5981 k = 0.0000 0.3313-0.0000 ( 4550 PWs) bands (ev): -3.4529 -3.4529 -2.9890 -2.9890 -1.4965 -1.4965 -1.4301 -1.4301 3.2512 3.2512 3.2822 3.2822 6.4589 6.4589 6.5862 6.5862 6.6153 6.6153 7.0431 7.0431 7.1987 7.1987 7.6270 7.6270 7.9181 7.9181 8.1809 8.1809 8.8634 8.8634 8.8683 8.8683 8.8906 8.8906 8.9403 8.9403 9.3419 9.3419 9.6433 9.6433 10.8637 10.8637 10.9285 10.9285 11.4450 11.4450 11.6311 11.6311 k = 0.0000 0.3191-0.0000 ( 4544 PWs) bands (ev): -3.5231 -3.5231 -2.9055 -2.9055 -1.5098 -1.5098 -1.4222 -1.4222 3.2647 3.2647 3.3070 3.3070 6.3464 6.3464 6.5265 6.5265 6.6358 6.6358 7.0309 7.0309 7.2029 7.2029 7.7459 7.7459 7.8732 7.8732 8.2221 8.2221 8.8481 8.8481 8.8592 8.8592 8.8911 8.8911 8.9497 8.9497 9.2960 9.2960 9.6928 9.6928 10.8441 10.8441 10.9294 10.9294 11.4214 11.4214 11.6638 11.6638 k = 0.0000 0.3068-0.0000 ( 4536 PWs) bands (ev): -3.5909 -3.5909 -2.8209 -2.8209 -1.5232 -1.5232 -1.4155 -1.4155 3.2831 3.2831 3.3375 3.3375 6.1951 6.1951 6.5006 6.5006 6.6569 6.6569 7.0091 7.0091 7.2130 7.2130 7.8200 7.8200 7.8685 7.8685 8.2621 8.2621 8.8291 8.8291 8.8506 8.8506 8.8906 8.8906 8.9586 8.9586 9.2522 9.2522 9.7396 9.7396 10.8231 10.8231 10.9287 10.9287 11.4027 11.4027 11.6960 11.6960 k = 0.0000 0.2945-0.0000 ( 4536 PWs) bands (ev): -3.6564 -3.6564 -2.7352 -2.7352 -1.5366 -1.5366 -1.4098 -1.4098 3.3062 3.3062 3.3738 3.3738 6.0327 6.0327 6.4835 6.4835 6.6781 6.6781 6.9834 6.9834 7.2235 7.2235 7.7778 7.7778 7.9717 7.9717 8.3003 8.3003 8.8079 8.8079 8.8413 8.8413 8.8894 8.8894 8.9669 8.9669 9.2108 9.2108 9.7823 9.7823 10.8009 10.8009 10.9280 10.9280 11.3900 11.3900 11.7275 11.7275 k = 0.0000 0.2823-0.0000 ( 4542 PWs) bands (ev): -3.7196 -3.7196 -2.6488 -2.6488 -1.5495 -1.5495 -1.4053 -1.4053 3.3338 3.3338 3.4158 3.4158 5.8661 5.8661 6.4697 6.4697 6.6992 6.6992 6.9562 6.9562 7.2322 7.2322 7.7320 7.7320 8.0680 8.0680 8.3356 8.3356 8.7851 8.7851 8.8312 8.8312 8.8873 8.8873 8.9744 8.9744 9.1723 9.1723 9.8194 9.8194 10.7774 10.7774 10.9294 10.9294 11.3848 11.3848 11.7562 11.7562 k = 0.0000 0.2700-0.0000 ( 4530 PWs) bands (ev): -3.7803 -3.7803 -2.5622 -2.5622 -1.5616 -1.5616 -1.4017 -1.4017 3.3655 3.3655 3.4634 3.4634 5.6977 5.6977 6.4579 6.4579 6.7201 6.7201 6.9289 6.9289 7.2382 7.2382 7.6861 7.6861 8.1530 8.1530 8.3654 8.3654 8.7622 8.7622 8.8206 8.8206 8.8847 8.8847 8.9805 8.9805 9.1372 9.1372 9.8493 9.8493 10.7522 10.7522 10.9361 10.9361 11.3881 11.3881 11.7284 11.7284 k = 0.0000 0.2577-0.0000 ( 4536 PWs) bands (ev): -3.8385 -3.8385 -2.4760 -2.4760 -1.5722 -1.5722 -1.3991 -1.3991 3.4010 3.4010 3.5166 3.5166 5.5288 5.5288 6.4478 6.4478 6.7397 6.7397 6.9025 6.9025 7.2410 7.2410 7.6406 7.6406 8.2261 8.2261 8.3854 8.3854 8.7413 8.7413 8.8098 8.8098 8.8815 8.8815 8.9838 8.9838 9.1069 9.1069 9.8707 9.8707 10.7245 10.7245 10.9509 10.9509 11.4009 11.4009 11.6980 11.6980 k = 0.0000 0.2454-0.0000 ( 4534 PWs) bands (ev): -3.8942 -3.8942 -2.3909 -2.3909 -1.5807 -1.5807 -1.3975 -1.3975 3.4401 3.4401 3.5752 3.5752 5.3604 5.3604 6.4389 6.4389 6.7566 6.7566 6.8786 6.8786 7.2402 7.2402 7.5957 7.5957 8.2875 8.2875 8.3905 8.3905 8.7253 8.7253 8.8001 8.8001 8.8778 8.8778 8.9820 8.9820 9.0838 9.0838 9.8827 9.8827 10.6941 10.6941 10.9758 10.9758 11.4235 11.4235 11.6720 11.6720 k = 0.0000 0.2332-0.0000 ( 4548 PWs) bands (ev): -3.9474 -3.9474 -2.3081 -2.3081 -1.5861 -1.5861 -1.3968 -1.3968 3.4822 3.4822 3.6393 3.6393 5.1934 5.1934 6.4313 6.4313 6.7664 6.7664 6.8614 6.8614 7.2357 7.2357 7.5516 7.5516 8.3330 8.3330 8.3817 8.3817 8.7150 8.7150 8.7934 8.7934 8.8737 8.8737 8.9722 8.9722 9.0707 9.0707 9.8855 9.8855 10.6610 10.6610 11.0107 11.0107 11.4563 11.4563 11.6513 11.6513 k = 0.0000 0.2209-0.0000 ( 4548 PWs) bands (ev): -3.9980 -3.9980 -2.2290 -2.2290 -1.5868 -1.5868 -1.3968 -1.3968 3.5269 3.5269 3.7086 3.7086 5.0285 5.0285 6.4248 6.4248 6.7627 6.7627 6.8574 6.8574 7.2274 7.2274 7.5085 7.5085 8.3223 8.3223 8.4006 8.4006 8.7066 8.7066 8.7927 8.7927 8.8696 8.8696 8.9548 8.9548 9.0674 9.0674 9.8796 9.8796 10.6262 10.6262 11.0536 11.0536 11.4990 11.4990 11.6373 11.6373 k = 0.0000 0.2086-0.0000 ( 4548 PWs) bands (ev): -4.0459 -4.0459 -2.1559 -2.1559 -1.5809 -1.5809 -1.3975 -1.3975 3.5737 3.5737 3.7830 3.7830 4.8665 4.8665 6.4193 6.4193 6.7450 6.7450 6.8668 6.8668 7.2153 7.2153 7.4665 7.4665 8.2686 8.2686 8.4388 8.4388 8.6951 8.6951 8.7992 8.7992 8.8654 8.8654 8.9333 8.9333 9.0706 9.0706 9.8662 9.8662 10.5904 10.5904 11.1003 11.1003 11.5512 11.5512 11.6327 11.6327 k = 0.0000 0.1964-0.0000 ( 4540 PWs) bands (ev): -4.0913 -4.0913 -2.0912 -2.0912 -1.5661 -1.5661 -1.3988 -1.3988 3.6217 3.6217 3.8623 3.8623 4.7083 4.7083 6.4148 6.4148 6.7200 6.7200 6.8830 6.8830 7.1993 7.1993 7.4258 7.4258 8.1976 8.1976 8.4758 8.4758 8.6795 8.6795 8.8103 8.8103 8.8612 8.8612 8.9107 8.9107 9.0773 9.0773 9.8467 9.8467 10.5546 10.5546 11.1453 11.1453 11.6109 11.6109 11.6417 11.6417 k = 0.0000 0.1841-0.0000 ( 4547 PWs) bands (ev): -4.1339 -4.1339 -2.0378 -2.0378 -1.5399 -1.5399 -1.4007 -1.4007 3.6699 3.6699 3.9464 3.9464 4.5553 4.5553 6.4109 6.4109 6.6914 6.6914 6.9016 6.9016 7.1798 7.1798 7.3862 7.3862 8.1151 8.1151 8.5102 8.5102 8.6605 8.6605 8.8223 8.8223 8.8571 8.8571 8.8892 8.8892 9.0862 9.0862 9.8223 9.8223 10.5195 10.5195 11.1826 11.1826 11.6581 11.6581 11.6873 11.6873 k = 0.0000 0.1718-0.0000 ( 4551 PWs) bands (ev): -4.1740 -4.1740 -1.9973 -1.9973 -1.5008 -1.5008 -1.4029 -1.4029 3.7162 3.7162 4.0351 4.0351 4.4094 4.4094 6.4074 6.4074 6.6608 6.6608 6.9208 6.9208 7.1573 7.1573 7.3475 7.3475 8.0243 8.0243 8.5421 8.5421 8.6397 8.6397 8.8322 8.8322 8.8514 8.8514 8.8721 8.8721 9.0966 9.0966 9.7942 9.7942 10.4858 10.4858 11.2079 11.2079 11.6999 11.6999 11.7629 11.7629 k = 0.0000 0.1595-0.0000 ( 4543 PWs) bands (ev): -4.2113 -4.2113 -1.9694 -1.9694 -1.4494 -1.4494 -1.4055 -1.4055 3.7569 3.7569 4.1281 4.1281 4.2747 4.2747 6.4039 6.4039 6.6289 6.6289 6.9398 6.9398 7.1324 7.1324 7.3096 7.3096 7.9281 7.9281 8.5708 8.5708 8.6190 8.6190 8.8355 8.8355 8.8406 8.8406 8.8670 8.8670 9.1081 9.1081 9.7634 9.7634 10.4540 10.4540 11.2207 11.2207 11.7562 11.7562 11.8460 11.8460 k = 0.0000 0.1473-0.0000 ( 4537 PWs) bands (ev): -4.2459 -4.2459 -1.9522 -1.9522 -1.4083 -1.4083 -1.3882 -1.3882 3.7828 3.7828 4.1601 4.1601 4.2257 4.2257 6.3994 6.3994 6.5962 6.5962 6.9578 6.9578 7.1058 7.1058 7.2721 7.2721 7.8290 7.8290 8.5839 8.5839 8.6116 8.6116 8.8207 8.8207 8.8388 8.8388 8.8709 8.8709 9.1207 9.1207 9.7307 9.7307 10.4245 10.4245 11.2230 11.2230 11.8239 11.8239 11.9326 11.9326 k = 0.0000 0.1350-0.0000 ( 4529 PWs) bands (ev): -4.2778 -4.2778 -1.9430 -1.9430 -1.4112 -1.4112 -1.3206 -1.3206 3.7736 3.7736 4.0869 4.0869 4.3267 4.3267 6.3925 6.3925 6.5636 6.5636 6.9737 6.9737 7.0791 7.0791 7.2346 7.2346 7.7296 7.7296 8.5665 8.5665 8.6332 8.6332 8.8041 8.8041 8.8372 8.8372 8.8767 8.8767 9.1340 9.1340 9.6968 9.6968 10.3974 10.3974 11.2181 11.2181 11.8985 11.8985 12.0080 12.0080 k = 0.0000 0.1227-0.0000 ( 4533 PWs) bands (ev): -4.3069 -4.3069 -1.9391 -1.9391 -1.4142 -1.4142 -1.2496 -1.2496 3.7136 3.7136 4.0702 4.0702 4.4315 4.4315 6.3802 6.3802 6.5330 6.5330 6.9849 6.9849 7.0549 7.0549 7.1969 7.1969 7.6327 7.6327 8.5448 8.5448 8.6578 8.6578 8.7885 8.7885 8.8351 8.8351 8.8822 8.8822 9.1478 9.1478 9.6624 9.6624 10.3729 10.3729 11.2086 11.2086 11.9735 11.9735 12.0412 12.0412 k = 0.0000 0.1104-0.0000 ( 4533 PWs) bands (ev): -4.3334 -4.3334 -1.9386 -1.9386 -1.4172 -1.4172 -1.1780 -1.1780 3.6222 3.6222 4.0910 4.0910 4.5397 4.5397 6.3579 6.3579 6.5078 6.5078 6.9840 6.9840 7.0410 7.0410 7.1589 7.1589 7.5413 7.5413 8.5235 8.5235 8.6813 8.6813 8.7744 8.7744 8.8332 8.8332 8.8869 8.8869 9.1620 9.1620 9.6280 9.6280 10.3511 10.3511 11.1965 11.1965 12.0287 12.0287 12.0819 12.0819 k = 0.0000 0.0982-0.0000 ( 4541 PWs) bands (ev): -4.3570 -4.3570 -1.9402 -1.9402 -1.4201 -1.4201 -1.1077 -1.1077 3.5228 3.5228 4.1263 4.1263 4.6510 4.6510 6.3215 6.3215 6.4907 6.4907 6.9659 6.9659 7.0424 7.0424 7.1207 7.1207 7.4582 7.4582 8.5033 8.5033 8.7028 8.7028 8.7623 8.7623 8.8318 8.8318 8.8906 8.8906 9.1762 9.1762 9.5941 9.5941 10.3319 10.3319 11.1832 11.1832 12.0502 12.0502 12.1523 12.1523 k = 0.0000 0.0859-0.0000 ( 4545 PWs) bands (ev): -4.3779 -4.3779 -1.9430 -1.9430 -1.4228 -1.4228 -1.0409 -1.0409 3.4258 3.4258 4.1655 4.1655 4.7649 4.7649 6.2701 6.2701 6.4814 6.4814 6.9395 6.9395 7.0500 7.0500 7.0833 7.0833 7.3860 7.3860 8.4847 8.4847 8.7208 8.7208 8.7531 8.7531 8.8311 8.8311 8.8935 8.8935 9.1902 9.1902 9.5614 9.5614 10.3152 10.3152 11.1698 11.1698 12.0623 12.0623 12.2272 12.2272 k = 0.0000 0.0736-0.0000 ( 4539 PWs) bands (ev): -4.3960 -4.3960 -1.9463 -1.9463 -1.4252 -1.4252 -0.9790 -0.9790 3.3363 3.3363 4.2042 4.2042 4.8811 4.8811 6.2051 6.2051 6.4772 6.4772 6.9111 6.9111 7.0457 7.0457 7.0602 7.0602 7.3263 7.3263 8.4682 8.4682 8.7296 8.7296 8.7522 8.7522 8.8314 8.8314 8.8958 8.8958 9.2039 9.2039 9.5302 9.5302 10.3012 10.3012 11.1569 11.1569 12.0716 12.0716 12.2983 12.2983 k = 0.0000 0.0614-0.0000 ( 4543 PWs) bands (ev): -4.4114 -4.4114 -1.9496 -1.9496 -1.4274 -1.4274 -0.9235 -0.9235 3.2568 3.2568 4.2400 4.2400 4.9991 4.9991 6.1281 6.1281 6.4757 6.4757 6.8831 6.8831 7.0144 7.0144 7.0662 7.0662 7.2793 7.2793 8.4538 8.4538 8.7265 8.7265 8.7615 8.7615 8.8327 8.8327 8.8976 8.8976 9.2169 9.2169 9.5013 9.5013 10.2894 10.2894 11.1452 11.1452 12.0789 12.0789 12.3621 12.3621 k = 0.0000 0.0491-0.0000 ( 4531 PWs) bands (ev): -4.4240 -4.4240 -1.9526 -1.9526 -1.4292 -1.4292 -0.8759 -0.8759 3.1892 3.1892 4.2713 4.2713 5.1181 5.1181 6.0408 6.0408 6.4756 6.4756 6.8572 6.8572 6.9872 6.9872 7.0710 7.0710 7.2444 7.2444 8.4418 8.4418 8.7211 8.7211 8.7714 8.7714 8.8354 8.8354 8.8990 8.8990 9.2291 9.2291 9.4753 9.4753 10.2801 10.2801 11.1351 11.1351 12.0848 12.0848 12.4157 12.4157 k = 0.0000 0.0368-0.0000 ( 4517 PWs) bands (ev): -4.4337 -4.4337 -1.9552 -1.9552 -1.4307 -1.4307 -0.8374 -0.8374 3.1351 3.1351 4.2968 4.2968 5.2373 5.2373 5.9449 5.9449 6.4760 6.4760 6.8351 6.8351 6.9657 6.9657 7.0736 7.0736 7.2200 7.2200 8.4325 8.4325 8.7165 8.7165 8.7787 8.7787 8.8389 8.8389 8.9001 8.9001 9.2401 9.2401 9.4531 9.4531 10.2729 10.2729 11.1268 11.1268 12.0893 12.0893 12.4556 12.4556 k = 0.0000 0.0245-0.0000 ( 4513 PWs) bands (ev): -4.4407 -4.4407 -1.9571 -1.9571 -1.4318 -1.4318 -0.8091 -0.8091 3.0955 3.0955 4.3157 4.3157 5.3549 5.3549 5.8430 5.8430 6.4764 6.4764 6.8185 6.8185 6.9504 6.9504 7.0744 7.0744 7.2046 7.2046 8.4256 8.4256 8.7130 8.7130 8.7833 8.7833 8.8424 8.8424 8.9009 8.9009 9.2490 9.2490 9.4357 9.4357 10.2679 10.2679 11.1208 11.1208 12.0924 12.0924 12.4804 12.4804 k = 0.0000 0.0123-0.0000 ( 4517 PWs) bands (ev): -4.4449 -4.4449 -1.9583 -1.9583 -1.4324 -1.4324 -0.7918 -0.7918 3.0714 3.0714 4.3273 4.3273 5.4657 5.4657 5.7413 5.7413 6.4767 6.4767 6.8082 6.8082 6.9411 6.9411 7.0743 7.0743 7.1962 7.1962 8.4215 8.4215 8.7108 8.7108 8.7857 8.7857 8.8450 8.8450 8.9013 8.9013 9.2551 9.2551 9.4244 9.4244 10.2648 10.2648 11.1171 11.1171 12.0943 12.0943 12.4926 12.4926 k = 0.0000 0.0000 0.0000 ( 4519 PWs) bands (ev): -4.4463 -4.4463 -1.9587 -1.9587 -1.4327 -1.4327 -0.7859 -0.7859 3.0633 3.0633 4.3313 4.3313 5.5325 5.5325 5.6774 5.6774 6.4768 6.4768 6.8048 6.8048 6.9381 6.9381 7.0741 7.0741 7.1936 7.1936 8.4201 8.4201 8.7101 8.7101 8.7865 8.7865 8.8459 8.8459 8.9015 8.9015 9.2572 9.2572 9.4204 9.4204 10.2638 10.2638 11.1158 11.1158 12.0949 12.0949 12.4961 12.4961 k = 0.0000 0.0000 0.0000 ( 4519 PWs) bands (ev): -4.4463 -4.4463 -1.9587 -1.9587 -1.4327 -1.4327 -0.7859 -0.7859 3.0633 3.0633 4.3313 4.3313 5.5325 5.5325 5.6774 5.6774 6.4768 6.4768 6.8048 6.8048 6.9381 6.9381 7.0741 7.0741 7.1936 7.1936 8.4201 8.4201 8.7101 8.7101 8.7865 8.7865 8.8459 8.8459 8.9015 8.9015 9.2572 9.2572 9.4204 9.4204 10.2638 10.2638 11.1158 11.1158 12.0949 12.0949 12.4961 12.4961 k = 0.0000 0.0000 0.0119 ( 4525 PWs) bands (ev): -4.4451 -4.4451 -1.9694 -1.9694 -1.4236 -1.4236 -0.7856 -0.7856 3.0647 3.0647 4.3327 4.3327 5.5345 5.5345 5.6730 5.6730 6.4757 6.4757 6.7936 6.7936 6.9333 6.9333 7.0790 7.0790 7.2102 7.2102 8.4212 8.4212 8.7067 8.7067 8.7862 8.7862 8.8458 8.8458 8.9011 8.9011 9.2561 9.2561 9.4221 9.4221 10.2636 10.2636 11.1114 11.1114 12.0945 12.0945 12.4892 12.4892 k = 0.0000 0.0000 0.0238 ( 4523 PWs) bands (ev): -4.4414 -4.4414 -1.9995 -1.9995 -1.3985 -1.3985 -0.7846 -0.7846 3.0692 3.0692 4.3370 4.3370 5.5401 5.5401 5.6600 5.6600 6.4724 6.4724 6.7643 6.7643 6.9250 6.9250 7.0879 7.0879 7.2561 7.2561 8.4243 8.4243 8.6966 8.6966 8.7851 8.7851 8.8458 8.8458 8.9001 8.9001 9.2529 9.2529 9.4268 9.4268 10.2631 10.2631 11.0984 11.0984 12.0931 12.0931 12.4661 12.4661 k = 0.0000 0.0000 0.0357 ( 4525 PWs) bands (ev): -4.4352 -4.4352 -2.0444 -2.0444 -1.3618 -1.3618 -0.7831 -0.7831 3.0765 3.0765 4.3443 4.3443 5.5474 5.5474 5.6407 5.6407 6.4660 6.4660 6.7266 6.7266 6.9183 6.9183 7.0964 7.0964 7.3210 7.3210 8.4295 8.4295 8.6801 8.6801 8.7827 8.7827 8.8463 8.8463 8.8984 8.8984 9.2478 9.2478 9.4340 9.4340 10.2623 10.2623 11.0768 11.0768 12.0901 12.0901 12.4245 12.4245 k = 0.0000 0.0000 0.0476 ( 4529 PWs) bands (ev): -4.4266 -4.4266 -2.0997 -2.0997 -1.3181 -1.3181 -0.7809 -0.7809 3.0867 3.0867 4.3547 4.3547 5.5490 5.5490 5.6226 5.6226 6.4553 6.4553 6.6896 6.6896 6.9131 6.9131 7.1049 7.1049 7.3961 7.3961 8.4367 8.4367 8.6575 8.6575 8.7783 8.7783 8.8480 8.8480 8.8963 8.8963 9.2410 9.2410 9.4429 9.4429 10.2611 10.2611 11.0471 11.0471 12.0845 12.0845 12.3689 12.3689 k = 0.0000 0.0000 0.0595 ( 4535 PWs) bands (ev): -4.4155 -4.4155 -2.1620 -2.1620 -1.2707 -1.2707 -0.7782 -0.7782 3.0997 3.0997 4.3681 4.3681 5.5287 5.5287 5.6224 5.6224 6.4391 6.4391 6.6589 6.6589 6.9087 6.9087 7.1143 7.1143 7.4761 7.4761 8.4458 8.4458 8.6297 8.6297 8.7711 8.7711 8.8514 8.8514 8.8940 8.8940 9.2327 9.2327 9.4527 9.4527 10.2597 10.2597 11.0099 11.0099 12.0739 12.0739 12.3082 12.3082 k = 0.0000 0.0000 0.0713 ( 4531 PWs) bands (ev): -4.4019 -4.4019 -2.2289 -2.2289 -1.2218 -1.2218 -0.7749 -0.7749 3.1154 3.1154 4.3847 4.3847 5.4867 5.4867 5.6406 5.6406 6.4171 6.4171 6.6369 6.6369 6.9043 6.9043 7.1251 7.1251 7.5577 7.5577 8.4567 8.4567 8.5972 8.5972 8.7607 8.7607 8.8566 8.8566 8.8918 8.8918 9.2232 9.2232 9.4628 9.4628 10.2582 10.2582 10.9660 10.9660 12.0541 12.0541 12.2520 12.2520 k = 0.0000 0.0000 0.0832 ( 4537 PWs) bands (ev): -4.3860 -4.3860 -2.2992 -2.2992 -1.1728 -1.1728 -0.7710 -0.7710 3.1338 3.1338 4.4046 4.4046 5.4330 5.4330 5.6681 5.6681 6.3901 6.3901 6.6234 6.6234 6.8998 6.8998 7.1374 7.1374 7.6387 7.6387 8.4691 8.4691 8.5609 8.5609 8.7467 8.7467 8.8636 8.8636 8.8901 8.8901 9.2125 9.2125 9.4723 9.4723 10.2565 10.2565 10.9163 10.9163 12.0202 12.0202 12.2094 12.2094 k = 0.0000 0.0000 0.0951 ( 4545 PWs) bands (ev): -4.3676 -4.3676 -2.3716 -2.3716 -1.1248 -1.1248 -0.7667 -0.7667 3.1546 3.1546 4.4275 4.4275 5.3724 5.3724 5.7013 5.7013 6.3600 6.3600 6.6165 6.6165 6.8949 6.8949 7.1515 7.1515 7.7169 7.7169 8.4821 8.4821 8.5224 8.5224 8.7291 8.7291 8.8712 8.8712 8.8897 8.8897 9.2008 9.2008 9.4807 9.4807 10.2547 10.2547 10.8622 10.8622 11.9724 11.9724 12.1830 12.1830 k = 0.0000 0.0000 0.1070 ( 4559 PWs) bands (ev): -4.3467 -4.3467 -2.4455 -2.4455 -1.0785 -1.0785 -0.7620 -0.7620 3.1779 3.1779 4.4534 4.4534 5.3071 5.3071 5.7390 5.7390 6.3283 6.3283 6.6144 6.6144 6.8895 6.8895 7.1673 7.1673 7.7903 7.7903 8.4747 8.4747 8.5033 8.5033 8.7083 8.7083 8.8766 8.8766 8.8934 8.8934 9.1882 9.1882 9.4877 9.4877 10.2531 10.2531 10.8052 10.8052 11.9174 11.9174 12.1678 12.1678 k = 0.0000 0.0000 0.1189 ( 4555 PWs) bands (ev): -4.3235 -4.3235 -2.5204 -2.5204 -1.0342 -1.0342 -0.7568 -0.7568 3.2035 3.2035 4.4816 4.4816 5.2394 5.2394 5.7804 5.7804 6.2962 6.2962 6.6156 6.6156 6.8838 6.8838 7.1848 7.1848 7.8564 7.8564 8.4334 8.4334 8.5179 8.5179 8.6851 8.6851 8.8779 8.8779 8.9034 8.9034 9.1748 9.1748 9.4928 9.4928 10.2516 10.2516 10.7472 10.7472 11.8618 11.8618 12.1586 12.1586 k = 0.0000 0.0000 0.1308 ( 4552 PWs) bands (ev): -4.2978 -4.2978 -2.5957 -2.5957 -0.9924 -0.9924 -0.7514 -0.7514 3.2313 3.2313 4.5111 4.5111 5.1713 5.1713 5.8250 5.8250 6.2642 6.2642 6.6192 6.6192 6.8776 6.8776 7.2042 7.2042 7.9122 7.9122 8.3898 8.3898 8.5352 8.5352 8.6606 8.6606 8.8773 8.8773 8.9170 8.9170 9.1607 9.1607 9.4957 9.4957 10.2502 10.2502 10.6898 10.6898 11.8094 11.8094 12.1520 12.1520 k = 0.0000 0.0000 0.1427 ( 4564 PWs) bands (ev): -4.2698 -4.2698 -2.6713 -2.6713 -0.9532 -0.9532 -0.7456 -0.7456 3.2614 3.2614 4.5400 4.5400 5.1059 5.1059 5.8717 5.8717 6.2329 6.2329 6.6244 6.6244 6.8709 6.8709 7.2253 7.2253 7.9536 7.9536 8.3469 8.3469 8.5533 8.5533 8.6373 8.6373 8.8763 8.8763 8.9326 8.9326 9.1461 9.1461 9.4963 9.4963 10.2492 10.2492 10.6347 10.6347 11.7621 11.7621 12.1462 12.1462 k = 0.0000 0.0000 0.1546 ( 4564 PWs) bands (ev): -4.2395 -4.2395 -2.7467 -2.7467 -0.9168 -0.9168 -0.7397 -0.7397 3.2937 3.2937 4.5650 4.5650 5.0470 5.0470 5.9191 5.9191 6.2038 6.2038 6.6310 6.6310 6.8638 6.8638 7.2481 7.2481 7.9756 7.9756 8.3063 8.3063 8.5711 8.5711 8.6189 8.6189 8.8753 8.8753 8.9498 8.9498 9.1310 9.1310 9.4945 9.4945 10.2487 10.2487 10.5836 10.5836 11.7210 11.7210 12.1398 12.1398 k = 0.0000 0.0000 0.1665 ( 4558 PWs) bands (ev): -4.2067 -4.2067 -2.8219 -2.8219 -0.8833 -0.8833 -0.7337 -0.7337 3.3281 3.3281 4.5801 4.5801 5.0012 5.0012 5.9634 5.9634 6.1801 6.1801 6.6386 6.6386 6.8563 6.8563 7.2726 7.2726 7.9741 7.9741 8.2684 8.2684 8.5853 8.5853 8.6121 8.6121 8.8744 8.8744 8.9684 8.9684 9.1158 9.1158 9.4901 9.4901 10.2487 10.2487 10.5374 10.5374 11.6865 11.6865 12.1320 12.1320 k = 0.0000 0.0000 0.1784 ( 4556 PWs) bands (ev): -4.1717 -4.1717 -2.8965 -2.8965 -0.8528 -0.8528 -0.7277 -0.7277 3.3648 3.3648 4.5778 4.5778 4.9763 4.9763 5.9954 5.9954 6.1707 6.1707 6.6471 6.6471 6.8482 6.8482 7.2986 7.2986 7.9487 7.9487 8.2314 8.2314 8.5931 8.5931 8.6220 8.6220 8.8737 8.8737 8.9879 8.9879 9.1006 9.1006 9.4830 9.4830 10.2492 10.2492 10.4968 10.4968 11.6590 11.6590 12.1219 12.1219 k = 0.0000 0.0000 0.1903 ( 4552 PWs) bands (ev): -4.1344 -4.1344 -2.9704 -2.9704 -0.8252 -0.8252 -0.7218 -0.7218 3.4036 3.4036 4.5531 4.5531 4.9774 4.9774 6.0014 6.0014 6.1890 6.1890 6.6564 6.6564 6.8398 6.8398 7.3262 7.3262 7.9030 7.9030 8.1922 8.1922 8.6036 8.6036 8.6394 8.6394 8.8733 8.8733 9.0078 9.0078 9.0858 9.0858 9.4734 9.4734 10.2504 10.2504 10.4621 10.4621 11.6386 11.6386 12.1086 12.1086 k = 0.0000 0.0000 0.2022 ( 4548 PWs) bands (ev): -4.0948 -4.0948 -3.0434 -3.0434 -0.8006 -0.8006 -0.7160 -0.7160 3.4446 3.4446 4.5088 4.5088 5.0018 5.0018 5.9821 5.9821 6.2338 6.2338 6.6664 6.6664 6.8310 6.8310 7.3549 7.3549 7.8422 7.8422 8.1491 8.1491 8.6202 8.6202 8.6582 8.6582 8.8731 8.8731 9.0262 9.0262 9.0736 9.0736 9.4612 9.4612 10.2524 10.2524 10.4331 10.4331 11.6255 11.6255 12.0914 12.0914 k = 0.0000 0.0000 0.2140 ( 4542 PWs) bands (ev): -4.0530 -4.0530 -3.1155 -3.1155 -0.7787 -0.7787 -0.7105 -0.7105 3.4878 3.4878 4.4516 4.4516 5.0426 5.0426 5.9491 5.9491 6.2932 6.2932 6.6772 6.6772 6.8218 6.8218 7.3841 7.3841 7.7709 7.7709 8.1027 8.1027 8.6408 8.6408 8.6770 8.6770 8.8734 8.8734 9.0342 9.0342 9.0725 9.0725 9.4466 9.4466 10.2552 10.2552 10.4091 10.4091 11.6195 11.6195 12.0700 12.0700 k = 0.0000 0.0000 0.2259 ( 4550 PWs) bands (ev): -4.0089 -4.0089 -3.1864 -3.1864 -0.7597 -0.7597 -0.7055 -0.7055 3.5333 3.5333 4.3873 4.3873 5.0937 5.0937 5.9090 5.9090 6.3603 6.3603 6.6890 6.6890 6.8122 6.8122 7.4123 7.4123 7.6935 7.6935 8.0540 8.0540 8.6625 8.6625 8.6952 8.6952 8.8741 8.8741 9.0256 9.0256 9.0888 9.0888 9.4297 9.4297 10.2589 10.2589 10.3893 10.3893 11.6208 11.6208 12.0442 12.0442 k = 0.0000 0.0000 0.2378 ( 4546 PWs) bands (ev): -3.9627 -3.9627 -3.2560 -3.2560 -0.7433 -0.7433 -0.7010 -0.7010 3.5812 3.5812 4.3196 4.3196 5.1511 5.1511 5.8642 5.8642 6.4319 6.4319 6.7024 6.7024 6.8023 6.8023 7.4341 7.4341 7.6178 7.6178 8.0043 8.0043 8.6835 8.6835 8.7125 8.7125 8.8757 8.8757 9.0113 9.0113 9.1115 9.1115 9.4108 9.4108 10.2634 10.2634 10.3729 10.3729 11.6289 11.6289 12.0145 12.0145 k = 0.0000 0.0000 0.2497 ( 4538 PWs) bands (ev): -3.9144 -3.9144 -3.3243 -3.3243 -0.7295 -0.7295 -0.6972 -0.6972 3.6314 3.6314 4.2506 4.2506 5.2125 5.2125 5.8159 5.8159 6.5055 6.5055 6.7183 6.7183 6.7921 6.7921 7.4274 7.4274 7.5677 7.5677 7.9544 7.9544 8.7027 8.7027 8.7282 8.7282 8.8783 8.8783 8.9959 8.9959 9.1362 9.1362 9.3901 9.3901 10.2688 10.2688 10.3591 10.3591 11.6435 11.6435 11.9812 11.9812 k = 0.0000 0.0000 0.2616 ( 4538 PWs) bands (ev): -3.8640 -3.8640 -3.3911 -3.3911 -0.7181 -0.7181 -0.6942 -0.6942 3.6839 3.6839 4.1815 4.1815 5.2761 5.2761 5.7644 5.7644 6.5774 6.5774 6.7393 6.7393 6.7822 6.7822 7.3668 7.3668 7.5700 7.5700 7.9050 7.9050 8.7192 8.7192 8.7415 8.7415 8.8825 8.8825 8.9801 8.9801 9.1619 9.1619 9.3678 9.3678 10.2751 10.2751 10.3470 10.3470 11.6642 11.6642 11.9453 11.9453 k = 0.0000 0.0000 0.2735 ( 4536 PWs) bands (ev): -3.8115 -3.8115 -3.4564 -3.4564 -0.7089 -0.7089 -0.6921 -0.6921 3.7387 3.7387 4.1131 4.1131 5.3407 5.3407 5.7101 5.7101 6.6397 6.6397 6.7621 6.7621 6.7833 6.7833 7.2801 7.2801 7.5984 7.5984 7.8565 7.8565 8.7331 8.7331 8.7516 8.7516 8.8887 8.8887 8.9644 8.9644 9.1882 9.1882 9.3442 9.3442 10.2821 10.2821 10.3360 10.3360 11.6901 11.6901 11.9074 11.9074 k = 0.0000 0.0000 0.2854 ( 4534 PWs) bands (ev): -3.7570 -3.7570 -3.5201 -3.5201 -0.7018 -0.7018 -0.6912 -0.6912 3.7959 3.7959 4.0460 4.0460 5.4055 5.4055 5.6532 5.6532 6.6830 6.6830 6.7552 6.7552 6.8359 6.8359 7.1866 7.1866 7.6351 7.6351 7.8090 7.8090 8.7443 8.7443 8.7577 8.7577 8.8972 8.8972 8.9490 8.9490 9.2148 9.2148 9.3195 9.3195 10.2899 10.2899 10.3258 10.3258 11.7205 11.7205 11.8685 11.8685 k = 0.0000 0.0000 0.2973 ( 4530 PWs) bands (ev): -3.7005 -3.7005 -3.5820 -3.5820 -0.6967 -0.6967 -0.6915 -0.6915 3.8553 3.8553 3.9805 3.9805 5.4696 5.4696 5.5939 5.5939 6.7096 6.7096 6.7427 6.7427 6.9124 6.9124 7.0922 7.0922 7.6755 7.6755 7.7628 7.7628 8.7527 8.7527 8.7598 8.7598 8.9079 8.9079 8.9343 8.9343 9.2414 9.2414 9.2940 9.2940 10.2982 10.2982 10.3162 10.3162 11.7545 11.7545 11.8294 11.8294 k = 0.0000 0.0000 0.3092 ( 4526 PWs) bands (ev): -3.6422 -3.6422 -3.6422 -3.6422 -0.6933 -0.6933 -0.6933 -0.6933 3.9169 3.9169 3.9169 3.9169 5.5326 5.5326 5.5326 5.5326 6.7280 6.7280 6.7280 6.7280 6.9998 6.9998 6.9998 6.9998 7.7182 7.7182 7.7182 7.7182 8.7580 8.7580 8.7580 8.7580 8.9204 8.9204 8.9204 8.9204 9.2679 9.2679 9.2679 9.2679 10.3070 10.3070 10.3070 10.3070 11.7911 11.7911 11.7911 11.7911 k = 0.0000 0.0000 0.3092 ( 4526 PWs) bands (ev): -3.6422 -3.6422 -3.6422 -3.6422 -0.6933 -0.6933 -0.6933 -0.6933 3.9169 3.9169 3.9169 3.9169 5.5326 5.5326 5.5326 5.5326 6.7280 6.7280 6.7280 6.7280 6.9998 6.9998 6.9998 6.9998 7.7182 7.7182 7.7182 7.7182 8.7580 8.7580 8.7580 8.7580 8.9204 8.9204 8.9204 8.9204 9.2679 9.2679 9.2679 9.2679 10.3070 10.3070 10.3070 10.3070 11.7911 11.7911 11.7911 11.7911 k = 0.0122-0.0000 0.3092 ( 4538 PWs) bands (ev): -3.6412 -3.6412 -3.6412 -3.6412 -0.6934 -0.6934 -0.6931 -0.6931 3.9172 3.9172 3.9188 3.9188 5.5320 5.5320 5.5335 5.5335 6.7229 6.7229 6.7241 6.7241 6.9895 6.9895 7.0030 7.0030 7.7040 7.7040 7.7314 7.7314 8.7568 8.7568 8.7569 8.7569 8.9170 8.9170 8.9265 8.9265 9.2682 9.2682 9.2714 9.2714 10.3048 10.3048 10.3162 10.3162 11.7743 11.7743 11.8045 11.8045 k = 0.0244-0.0000 0.3092 ( 4530 PWs) bands (ev): -3.6381 -3.6381 -3.6381 -3.6381 -0.6934 -0.6934 -0.6929 -0.6929 3.9198 3.9198 3.9229 3.9229 5.5316 5.5316 5.5346 5.5346 6.7087 6.7087 6.7111 6.7111 6.9730 6.9730 6.9989 6.9989 7.6900 7.6900 7.7429 7.7429 8.7531 8.7531 8.7538 8.7538 8.9167 8.9167 8.9346 8.9346 9.2724 9.2724 9.2786 9.2786 10.3098 10.3098 10.3323 10.3323 11.7538 11.7538 11.8149 11.8149 k = 0.0366-0.0000 0.3092 ( 4534 PWs) bands (ev): -3.6330 -3.6330 -3.6329 -3.6329 -0.6934 -0.6934 -0.6927 -0.6927 3.9245 3.9245 3.9292 3.9292 5.5312 5.5312 5.5357 5.5357 6.6850 6.6850 6.6886 6.6886 6.9520 6.9520 6.9880 6.9880 7.6773 7.6773 7.7525 7.7525 8.7465 8.7465 8.7484 8.7484 8.9195 8.9195 8.9439 8.9439 9.2800 9.2800 9.2890 9.2890 10.3218 10.3218 10.3552 10.3552 11.7292 11.7292 11.8225 11.8225 k = 0.0488-0.0000 0.3092 ( 4526 PWs) bands (ev): -3.6258 -3.6258 -3.6257 -3.6257 -0.6934 -0.6934 -0.6924 -0.6924 3.9314 3.9314 3.9378 3.9378 5.5306 5.5306 5.5367 5.5367 6.6515 6.6515 6.6564 6.6564 6.9281 6.9281 6.9716 6.9716 7.6669 7.6669 7.7602 7.7602 8.7372 8.7372 8.7409 8.7409 8.9250 8.9250 8.9537 8.9537 9.2903 9.2903 9.3020 9.3020 10.3406 10.3406 10.3844 10.3844 11.6999 11.6999 11.8272 11.8272 k = 0.0610-0.0000 0.3092 ( 4538 PWs) bands (ev): -3.6166 -3.6166 -3.6165 -3.6165 -0.6934 -0.6934 -0.6921 -0.6921 3.9403 3.9403 3.9486 3.9486 5.5295 5.5295 5.5371 5.5371 6.6083 6.6083 6.6148 6.6148 6.9028 6.9028 6.9512 6.9512 7.6592 7.6592 7.7665 7.7665 8.7251 8.7251 8.7311 8.7311 8.9319 8.9319 8.9630 8.9630 9.3027 9.3027 9.3169 9.3169 10.3659 10.3659 10.4194 10.4194 11.6656 11.6656 11.8289 11.8289 k = 0.0732-0.0000 0.3092 ( 4546 PWs) bands (ev): -3.6054 -3.6054 -3.6053 -3.6053 -0.6934 -0.6934 -0.6919 -0.6919 3.9513 3.9513 3.9616 3.9616 5.5272 5.5272 5.5363 5.5363 6.5563 6.5563 6.5647 6.5647 6.8772 6.8772 6.9286 6.9286 7.6542 7.6542 7.7716 7.7716 8.7107 8.7107 8.7191 8.7191 8.9394 8.9394 8.9714 8.9714 9.3163 9.3163 9.3328 9.3328 10.3972 10.3972 10.4592 10.4592 11.6261 11.6261 11.8269 11.8269 k = 0.0854-0.0000 0.3092 ( 4550 PWs) bands (ev): -3.5922 -3.5922 -3.5921 -3.5921 -0.6934 -0.6934 -0.6917 -0.6917 3.9642 3.9642 3.9767 3.9767 5.5232 5.5232 5.5335 5.5335 6.4971 6.4971 6.5080 6.5080 6.8518 6.8518 6.9048 6.9048 7.6518 7.6518 7.7761 7.7761 8.6944 8.6944 8.7052 8.7052 8.9463 8.9463 8.9783 8.9783 9.3303 9.3303 9.3488 9.3488 10.4338 10.4338 10.5028 10.5028 11.5813 11.5813 11.8192 11.8192 k = 0.0976-0.0000 0.3092 ( 4550 PWs) bands (ev): -3.5771 -3.5771 -3.5769 -3.5769 -0.6936 -0.6936 -0.6916 -0.6916 3.9790 3.9790 3.9940 3.9940 5.5163 5.5163 5.5276 5.5276 6.4333 6.4333 6.4472 6.4472 6.8267 6.8267 6.8805 6.8805 7.6512 7.6512 7.7801 7.7801 8.6763 8.6763 8.6894 8.6894 8.9521 8.9521 8.9834 8.9834 9.3441 9.3441 9.3642 9.3642 10.4747 10.4747 10.5487 10.5487 11.5319 11.5319 11.7976 11.7976 k = 0.1098-0.0000 0.3092 ( 4550 PWs) bands (ev): -3.5600 -3.5600 -3.5598 -3.5598 -0.6940 -0.6940 -0.6917 -0.6917 3.9955 3.9955 4.0134 4.0134 5.5054 5.5054 5.5171 5.5171 6.3679 6.3679 6.3852 6.3852 6.8019 6.8019 6.8562 6.8562 7.6519 7.6519 7.7836 7.7836 8.6570 8.6570 8.6719 8.6719 8.9561 8.9561 8.9864 8.9864 9.3570 9.3570 9.3783 9.3783 10.5188 10.5188 10.5951 10.5951 11.4794 11.4794 11.7431 11.7431 k = 0.1220-0.0000 0.3092 ( 4554 PWs) bands (ev): -3.5410 -3.5410 -3.5409 -3.5409 -0.6946 -0.6946 -0.6921 -0.6921 4.0137 4.0137 4.0348 4.0348 5.4891 5.4891 5.5003 5.5003 6.3044 6.3044 6.3249 6.3249 6.7773 6.7773 6.8319 6.8319 7.6533 7.6533 7.7867 7.7867 8.6364 8.6364 8.6530 8.6530 8.9580 8.9580 8.9873 8.9873 9.3686 9.3686 9.3906 9.3906 10.5646 10.5646 10.6395 10.6395 11.4259 11.4259 11.6601 11.6601 k = 0.1341-0.0000 0.3092 ( 4554 PWs) bands (ev): -3.5202 -3.5202 -3.5201 -3.5201 -0.6954 -0.6954 -0.6927 -0.6927 4.0332 4.0332 4.0581 4.0581 5.4658 5.4658 5.4752 5.4752 6.2464 6.2464 6.2694 6.2694 6.7530 6.7530 6.8077 6.8077 7.6549 7.6549 7.7891 7.7891 8.6147 8.6147 8.6327 8.6327 8.9578 8.9578 8.9859 8.9859 9.3787 9.3787 9.4009 9.4009 10.6102 10.6102 10.6788 10.6788 11.3750 11.3750 11.5694 11.5694 k = 0.1463-0.0000 0.3092 ( 4550 PWs) bands (ev): -3.4977 -3.4977 -3.4975 -3.4975 -0.6967 -0.6967 -0.6937 -0.6937 4.0540 4.0540 4.0833 4.0833 5.4342 5.4342 5.4399 5.4399 6.1970 6.1970 6.2213 6.2213 6.7290 6.7290 6.7837 6.7837 7.6560 7.6560 7.7908 7.7908 8.5921 8.5921 8.6112 8.6112 8.9551 8.9551 8.9822 8.9822 9.3871 9.3871 9.4088 9.4088 10.6535 10.6535 10.7087 10.7087 11.3313 11.3313 11.4799 11.4799 k = 0.1585-0.0000 0.3092 ( 4546 PWs) bands (ev): -3.4733 -3.4733 -3.4731 -3.4731 -0.6983 -0.6983 -0.6952 -0.6952 4.0757 4.0757 4.1102 4.1102 5.3934 5.3934 5.3937 5.3937 6.1584 6.1584 6.1825 6.1825 6.7053 6.7053 6.7598 6.7598 7.6563 7.6563 7.7915 7.7915 8.5687 8.5687 8.5887 8.5887 8.9501 8.9501 8.9761 8.9761 9.3936 9.3936 9.4144 9.4144 10.6912 10.6912 10.7243 10.7243 11.3005 11.3005 11.3969 11.3969 k = 0.1707-0.0000 0.3092 ( 4558 PWs) bands (ev): -3.4473 -3.4473 -3.4471 -3.4471 -0.7005 -0.7005 -0.6971 -0.6971 4.0979 4.0979 4.1387 4.1387 5.3359 5.3359 5.3445 5.3445 6.1314 6.1314 6.1538 6.1538 6.6821 6.6821 6.7363 6.7363 7.6553 7.6553 7.7908 7.7908 8.5444 8.5444 8.5651 8.5651 8.9427 8.9427 8.9679 8.9679 9.3981 9.3981 9.4174 9.4174 10.7189 10.7189 10.7214 10.7214 11.2872 11.2872 11.3253 11.3253 k = 0.1829-0.0000 0.3092 ( 4566 PWs) bands (ev): -3.4197 -3.4197 -3.4195 -3.4195 -0.7033 -0.7033 -0.6996 -0.6996 4.1202 4.1202 4.1685 4.1685 5.2689 5.2689 5.2880 5.2880 6.1155 6.1155 6.1349 6.1349 6.6597 6.6597 6.7130 6.7130 7.6528 7.6528 7.7887 7.7887 8.5194 8.5194 8.5407 8.5407 8.9330 8.9330 8.9574 8.9574 9.4005 9.4005 9.4179 9.4179 10.6995 10.6995 10.7314 10.7314 11.2706 11.2706 11.2926 11.2926 k = 0.1951-0.0000 0.3092 ( 4572 PWs) bands (ev): -3.3906 -3.3906 -3.3903 -3.3903 -0.7067 -0.7067 -0.7028 -0.7028 4.1420 4.1420 4.1994 4.1994 5.1947 5.1947 5.2263 5.2263 6.1092 6.1092 6.1247 6.1247 6.6382 6.6382 6.6903 6.6903 7.6485 7.6485 7.7849 7.7849 8.4936 8.4936 8.5155 8.5155 8.9211 8.9211 8.9448 8.9448 9.4009 9.4009 9.4158 9.4158 10.6619 10.6619 10.7237 10.7237 11.2376 11.2376 11.3135 11.3135 k = 0.2073-0.0000 0.3092 ( 4580 PWs) bands (ev): -3.3600 -3.3600 -3.3597 -3.3597 -0.7108 -0.7108 -0.7068 -0.7068 4.1623 4.1623 4.2309 4.2309 5.1159 5.1159 5.1621 5.1621 6.1107 6.1107 6.1218 6.1218 6.6179 6.6179 6.6681 6.6681 7.6422 7.6422 7.7792 7.7792 8.4671 8.4671 8.4896 8.4896 8.9070 8.9070 8.9301 8.9301 9.3990 9.3990 9.4112 9.4112 10.6137 10.6137 10.6952 10.6952 11.2266 11.2266 11.3450 11.3450 k = 0.2195-0.0000 0.3092 ( 4580 PWs) bands (ev): -3.3281 -3.3281 -3.3278 -3.3278 -0.7158 -0.7158 -0.7115 -0.7115 4.1802 4.1802 4.2624 4.2624 5.0352 5.0352 5.0981 5.0981 6.1182 6.1182 6.1244 6.1244 6.5992 6.5992 6.6467 6.6467 7.6337 7.6337 7.7715 7.7715 8.4400 8.4400 8.4632 8.4632 8.8909 8.8909 8.9136 8.9136 9.3951 9.3951 9.4043 9.4043 10.5596 10.5596 10.6505 10.6505 11.2324 11.2324 11.3814 11.3814 k = 0.2317-0.0000 0.3092 ( 4580 PWs) bands (ev): -3.2949 -3.2949 -3.2946 -3.2946 -0.7216 -0.7216 -0.7172 -0.7172 4.1941 4.1941 4.2929 4.2929 4.9552 4.9552 5.0375 5.0375 6.1302 6.1302 6.1310 6.1310 6.5825 6.5825 6.6262 6.6262 7.6229 7.6229 7.7614 7.7614 8.4122 8.4122 8.4362 8.4362 8.8729 8.8729 8.8954 8.8954 9.3890 9.3890 9.3949 9.3949 10.5031 10.5031 10.5961 10.5961 11.2476 11.2476 11.4173 11.4173 k = 0.2439-0.0000 0.3092 ( 4578 PWs) bands (ev): -3.2606 -3.2606 -3.2603 -3.2603 -0.7284 -0.7284 -0.7238 -0.7238 4.2025 4.2025 4.3206 4.3206 4.8790 4.8790 4.9830 4.9830 6.1401 6.1401 6.1454 6.1454 6.5682 6.5682 6.6067 6.6067 7.6098 7.6098 7.7491 7.7491 8.3838 8.3838 8.4089 8.4089 8.8532 8.8532 8.8756 8.8756 9.3806 9.3806 9.3832 9.3832 10.4465 10.4465 10.5375 10.5375 11.2657 11.2657 11.4453 11.4453 k = 0.2561-0.0000 0.3092 ( 4574 PWs) bands (ev): -3.2254 -3.2254 -3.2250 -3.2250 -0.7362 -0.7362 -0.7313 -0.7313 4.2034 4.2034 4.3427 4.3427 4.8105 4.8105 4.9377 4.9377 6.1505 6.1505 6.1626 6.1626 6.5570 6.5570 6.5886 6.5886 7.5945 7.5945 7.7342 7.7342 8.3549 8.3549 8.3813 8.3813 8.8319 8.8319 8.8543 8.8543 9.3694 9.3694 9.3701 9.3701 10.3913 10.3913 10.4782 10.4782 11.2819 11.2819 11.4568 11.4568 k = 0.2683-0.0000 0.3092 ( 4578 PWs) bands (ev): -3.1892 -3.1892 -3.1889 -3.1889 -0.7450 -0.7450 -0.7399 -0.7399 4.1952 4.1952 4.3541 4.3541 4.7554 4.7554 4.9037 4.9037 6.1609 6.1609 6.1808 6.1808 6.5492 6.5492 6.5722 6.5722 7.5771 7.5771 7.7170 7.7170 8.3256 8.3256 8.3534 8.3534 8.8092 8.8092 8.8318 8.8318 9.3535 9.3535 9.3576 9.3576 10.3384 10.3384 10.4205 10.4205 11.2933 11.2933 11.4485 11.4485 k = 0.2805-0.0000 0.3092 ( 4578 PWs) bands (ev): -3.1524 -3.1524 -3.1520 -3.1520 -0.7548 -0.7548 -0.7496 -0.7496 4.1771 4.1771 4.3489 4.3489 4.7204 4.7204 4.8826 4.8826 6.1704 6.1704 6.1990 6.1990 6.5454 6.5454 6.5578 6.5578 7.5579 7.5579 7.6973 7.6973 8.2959 8.2959 8.3255 8.3255 8.7852 8.7852 8.8081 8.8081 9.3359 9.3359 9.3431 9.3431 10.2886 10.2886 10.3656 10.3656 11.2984 11.2984 11.4265 11.4265 k = 0.2927-0.0000 0.3092 ( 4574 PWs) bands (ev): -3.1151 -3.1151 -3.1147 -3.1147 -0.7656 -0.7656 -0.7603 -0.7603 4.1496 4.1496 4.3236 4.3236 4.7093 4.7093 4.8744 4.8744 6.1782 6.1782 6.2162 6.2162 6.5456 6.5456 6.5459 6.5459 7.5373 7.5373 7.6753 7.6753 8.2661 8.2661 8.2975 8.2975 8.7603 8.7603 8.7836 8.7836 9.3167 9.3167 9.3269 9.3269 10.2420 10.2420 10.3142 10.3142 11.2974 11.2974 11.3981 11.3981 k = 0.3049-0.0000 0.3092 ( 4572 PWs) bands (ev): -3.0774 -3.0774 -3.0770 -3.0770 -0.7775 -0.7775 -0.7720 -0.7720 4.1141 4.1141 4.2814 4.2814 4.7191 4.7191 4.8776 4.8776 6.1838 6.1838 6.2315 6.2315 6.5361 6.5361 6.5508 6.5508 7.5158 7.5158 7.6513 7.6513 8.2363 8.2363 8.2696 8.2696 8.7345 8.7345 8.7583 8.7583 9.2962 9.2962 9.3091 9.3091 10.1989 10.1989 10.2667 10.2667 11.2913 11.2913 11.3673 11.3673 k = 0.3171-0.0000 0.3092 ( 4570 PWs) bands (ev): -3.0397 -3.0397 -3.0392 -3.0392 -0.7903 -0.7903 -0.7847 -0.7847 4.0729 4.0729 4.2293 4.2293 4.7431 4.7431 4.8903 4.8903 6.1872 6.1872 6.2440 6.2440 6.5295 6.5295 6.5596 6.5596 7.4939 7.4939 7.6255 7.6255 8.2066 8.2066 8.2419 8.2419 8.7081 8.7081 8.7325 8.7325 9.2747 9.2747 9.2900 9.2900 10.1594 10.1594 10.2232 10.2232 11.2813 11.2813 11.3363 11.3363 k = 0.3293-0.0000 0.3092 ( 4570 PWs) bands (ev): -3.0020 -3.0020 -3.0016 -3.0016 -0.8040 -0.8040 -0.7983 -0.7983 4.0283 4.0283 4.1729 4.1729 4.7757 4.7757 4.9102 4.9102 6.1886 6.1886 6.2534 6.2534 6.5256 6.5256 6.5716 6.5716 7.4723 7.4723 7.5985 7.5985 8.1772 8.1772 8.2143 8.2143 8.6813 8.6813 8.7063 8.7063 9.2527 9.2527 9.2699 9.2699 10.1232 10.1232 10.1836 10.1836 11.2688 11.2688 11.3062 11.3062 k = 0.3415-0.0000 0.3092 ( 4574 PWs) bands (ev): -2.9647 -2.9647 -2.9643 -2.9643 -0.8185 -0.8185 -0.8127 -0.8127 3.9822 3.9822 4.1160 4.1160 4.8131 4.8131 4.9354 4.9354 6.1886 6.1886 6.2593 6.2593 6.5241 6.5241 6.5859 6.5859 7.4519 7.4519 7.5708 7.5708 8.1482 8.1482 8.1870 8.1870 8.6543 8.6543 8.6800 8.6800 9.2303 9.2303 9.2491 9.2491 10.0905 10.0905 10.1479 10.1479 11.2549 11.2549 11.2776 11.2776 k = 0.3537-0.0000 0.3092 ( 4578 PWs) bands (ev): -2.9281 -2.9281 -2.9276 -2.9276 -0.8336 -0.8336 -0.8276 -0.8276 3.9363 3.9363 4.0606 4.0606 4.8533 4.8533 4.9640 4.9640 6.1877 6.1877 6.2620 6.2620 6.5241 6.5241 6.6014 6.6014 7.4335 7.4335 7.5431 7.5431 8.1199 8.1199 8.1601 8.1601 8.6274 8.6274 8.6538 8.6538 9.2080 9.2080 9.2279 9.2279 10.0609 10.0609 10.1158 10.1158 11.2403 11.2403 11.2509 11.2509 k = 0.3659-0.0000 0.3092 ( 4582 PWs) bands (ev): -2.8925 -2.8925 -2.8919 -2.8919 -0.8491 -0.8491 -0.8431 -0.8431 3.8917 3.8917 4.0078 4.0078 4.8948 4.8948 4.9947 4.9947 6.1867 6.1867 6.2621 6.2621 6.5246 6.5246 6.6168 6.6168 7.4177 7.4177 7.5163 7.5163 8.0922 8.0922 8.1336 8.1336 8.6008 8.6008 8.6278 8.6278 9.1861 9.1861 9.2068 9.2068 10.0345 10.0345 10.0872 10.0872 11.2259 11.2259 11.2263 11.2263 k = 0.3780-0.0000 0.3092 ( 4582 PWs) bands (ev): -2.8581 -2.8581 -2.8575 -2.8575 -0.8648 -0.8648 -0.8587 -0.8587 3.8493 3.8493 3.9586 3.9586 4.9365 4.9365 5.0263 5.0263 6.1861 6.1861 6.2602 6.2602 6.5245 6.5245 6.6311 6.6311 7.4054 7.4054 7.4911 7.4911 8.0656 8.0656 8.1077 8.1077 8.5748 8.5748 8.6023 8.6023 9.1650 9.1650 9.1861 9.1861 10.0109 10.0109 10.0619 10.0619 11.2039 11.2039 11.2119 11.2119 k = 0.3902-0.0000 0.3092 ( 4588 PWs) bands (ev): -2.8253 -2.8253 -2.8248 -2.8248 -0.8805 -0.8805 -0.8743 -0.8743 3.8097 3.8097 3.9134 3.9134 4.9775 4.9775 5.0578 5.0578 6.1863 6.1863 6.2570 6.2570 6.5229 6.5229 6.6431 6.6431 7.3969 7.3969 7.4685 7.4685 8.0399 8.0399 8.0825 8.0825 8.5496 8.5496 8.5778 8.5778 9.1448 9.1448 9.1660 9.1660 9.9902 9.9902 10.0397 10.0397 11.1838 11.1838 11.1988 11.1988 k = 0.4024-0.0000 0.3092 ( 4588 PWs) bands (ev): -2.7946 -2.7946 -2.7940 -2.7940 -0.8958 -0.8958 -0.8895 -0.8895 3.7735 3.7735 3.8725 3.8725 5.0173 5.0173 5.0883 5.0883 6.1877 6.1877 6.2532 6.2532 6.5191 6.5191 6.6520 6.6520 7.3925 7.3925 7.4493 7.4493 8.0154 8.0154 8.0581 8.0581 8.5257 8.5257 8.5543 8.5543 9.1260 9.1260 9.1470 9.1470 9.9720 9.9720 10.0204 10.0204 11.1659 11.1659 11.1868 11.1868 k = 0.4146-0.0000 0.3092 ( 4588 PWs) bands (ev): -2.7662 -2.7662 -2.7656 -2.7656 -0.9104 -0.9104 -0.9041 -0.9041 3.7411 3.7411 3.8361 3.8361 5.0548 5.0548 5.1171 5.1171 6.1904 6.1904 6.2492 6.2492 6.5131 6.5131 6.6573 6.6573 7.3920 7.3920 7.4341 7.4341 7.9924 7.9924 8.0348 8.0348 8.5034 8.5034 8.5324 8.5324 9.1088 9.1088 9.1295 9.1295 9.9564 9.9564 10.0038 10.0038 11.1504 11.1504 11.1760 11.1760 k = 0.4268-0.0000 0.3092 ( 4592 PWs) bands (ev): -2.7406 -2.7406 -2.7400 -2.7400 -0.9240 -0.9240 -0.9177 -0.9177 3.7126 3.7126 3.8043 3.8043 5.0896 5.0896 5.1434 5.1434 6.1943 6.1943 6.2455 6.2455 6.5051 6.5051 6.6588 6.6588 7.3948 7.3948 7.4229 7.4229 7.9711 7.9711 8.0130 8.0130 8.4829 8.4829 8.5122 8.5122 9.0934 9.0934 9.1137 9.1137 9.9431 9.9431 9.9897 9.9897 11.1371 11.1371 11.1666 11.1666 k = 0.4390-0.0000 0.3092 ( 4580 PWs) bands (ev): -2.7181 -2.7181 -2.7175 -2.7175 -0.9363 -0.9363 -0.9299 -0.9299 3.6882 3.6882 3.7774 3.7774 5.1207 5.1207 5.1666 5.1666 6.1994 6.1994 6.2423 6.2423 6.4959 6.4959 6.6571 6.6571 7.4001 7.4001 7.4157 7.4157 7.9519 7.9519 7.9930 7.9930 8.4647 8.4647 8.4943 8.4943 9.0801 9.0801 9.0999 9.0999 9.9322 9.9322 9.9781 9.9781 11.1260 11.1260 11.1585 11.1585 k = 0.4512-0.0000 0.3092 ( 4572 PWs) bands (ev): -2.6991 -2.6991 -2.6985 -2.6985 -0.9469 -0.9469 -0.9404 -0.9404 3.6682 3.6682 3.7553 3.7553 5.1475 5.1475 5.1863 5.1863 6.2051 6.2051 6.2397 6.2397 6.4863 6.4863 6.6528 6.6528 7.4070 7.4070 7.4119 7.4119 7.9351 7.9351 7.9754 7.9754 8.4493 8.4493 8.4791 8.4791 9.0690 9.0690 9.0884 9.0884 9.9233 9.9233 9.9688 9.9688 11.1170 11.1170 11.1519 11.1519 k = 0.4634-0.0000 0.3092 ( 4568 PWs) bands (ev): -2.6840 -2.6840 -2.6833 -2.6833 -0.9555 -0.9555 -0.9490 -0.9490 3.6525 3.6525 3.7381 3.7381 5.1692 5.1692 5.2021 5.2021 6.2107 6.2107 6.2378 6.2378 6.4773 6.4773 6.6473 6.6473 7.4105 7.4105 7.4140 7.4140 7.9213 7.9213 7.9606 7.9606 8.4368 8.4368 8.4668 8.4668 9.0602 9.0602 9.0791 9.0791 9.9165 9.9165 9.9616 9.9616 11.1100 11.1100 11.1468 11.1468 k = 0.4756-0.0000 0.3092 ( 4570 PWs) bands (ev): -2.6730 -2.6730 -2.6723 -2.6723 -0.9618 -0.9618 -0.9554 -0.9554 3.6413 3.6413 3.7258 3.7258 5.1852 5.1852 5.2136 5.2136 6.2156 6.2156 6.2365 6.2365 6.4700 6.4700 6.6420 6.6420 7.4105 7.4105 7.4202 7.4202 7.9109 7.9109 7.9495 7.9495 8.4277 8.4277 8.4577 8.4577 9.0539 9.0539 9.0725 9.0725 9.9117 9.9117 9.9566 9.9566 11.1051 11.1051 11.1431 11.1431 k = 0.4878-0.0000 0.3092 ( 4572 PWs) bands (ev): -2.6663 -2.6663 -2.6656 -2.6656 -0.9657 -0.9657 -0.9592 -0.9592 3.6345 3.6345 3.7184 3.7184 5.1950 5.1950 5.2205 5.2205 6.2189 6.2189 6.2359 6.2359 6.4651 6.4651 6.6382 6.6382 7.4109 7.4109 7.4244 7.4244 7.9045 7.9045 7.9425 7.9425 8.4221 8.4221 8.4521 8.4521 9.0501 9.0501 9.0684 9.0684 9.9088 9.9088 9.9535 9.9535 11.1022 11.1022 11.1409 11.1409 k = 0.5000-0.0000 0.3092 ( 4568 PWs) bands (ev): -2.6640 -2.6640 -2.6633 -2.6633 -0.9671 -0.9671 -0.9605 -0.9605 3.6323 3.6323 3.7159 3.7159 5.1983 5.1983 5.2229 5.2229 6.2201 6.2201 6.2356 6.2356 6.4635 6.4635 6.6368 6.6368 7.4111 7.4111 7.4258 7.4258 7.9023 7.9023 7.9401 7.9401 8.4202 8.4202 8.4503 8.4503 9.0488 9.0488 9.0671 9.0671 9.9079 9.9079 9.9526 9.9526 11.1012 11.1012 11.1401 11.1401 k = 0.5000-0.0000 0.3092 ( 4568 PWs) bands (ev): -2.6640 -2.6640 -2.6633 -2.6633 -0.9671 -0.9671 -0.9605 -0.9605 3.6323 3.6323 3.7159 3.7159 5.1983 5.1983 5.2229 5.2229 6.2201 6.2201 6.2356 6.2356 6.4635 6.4635 6.6368 6.6368 7.4111 7.4111 7.4258 7.4258 7.9023 7.9023 7.9401 7.9401 8.4202 8.4202 8.4503 8.4503 9.0488 9.0488 9.0671 9.0671 9.9079 9.9079 9.9526 9.9526 11.1012 11.1012 11.1401 11.1401 k = 0.5000 0.0123 0.3092 ( 4572 PWs) bands (ev): -2.6631 -2.6631 -2.6624 -2.6624 -0.9678 -0.9678 -0.9613 -0.9613 3.6278 3.6278 3.7107 3.7107 5.2058 5.2058 5.2283 5.2283 6.2030 6.2030 6.2070 6.2070 6.4874 6.4874 6.6504 6.6504 7.4111 7.4111 7.4255 7.4255 7.9065 7.9065 7.9447 7.9447 8.4210 8.4210 8.4511 8.4511 9.0489 9.0489 9.0671 9.0671 9.9091 9.9091 9.9537 9.9537 11.1044 11.1044 11.1432 11.1432 k = 0.5000 0.0245 0.3092 ( 4564 PWs) bands (ev): -2.6604 -2.6604 -2.6597 -2.6597 -0.9702 -0.9702 -0.9637 -0.9637 3.6149 3.6149 3.6955 3.6955 5.2274 5.2274 5.2440 5.2440 6.1419 6.1419 6.1579 6.1579 6.5386 6.5386 6.6854 6.6854 7.4112 7.4112 7.4245 7.4245 7.9190 7.9190 7.9580 7.9580 8.4234 8.4234 8.4536 8.4536 9.0490 9.0490 9.0672 9.0672 9.9132 9.9132 9.9573 9.9573 11.1139 11.1139 11.1524 11.1524 k = 0.5000 0.0368 0.3092 ( 4568 PWs) bands (ev): -2.6559 -2.6559 -2.6551 -2.6551 -0.9742 -0.9742 -0.9677 -0.9677 3.5944 3.5944 3.6714 3.6714 5.2616 5.2616 5.2680 5.2680 6.0623 6.0623 6.0967 6.0967 6.5957 6.5957 6.7311 6.7311 7.4117 7.4117 7.4234 7.4234 7.9392 7.9392 7.9795 7.9795 8.4274 8.4274 8.4577 8.4577 9.0493 9.0493 9.0673 9.0673 9.9198 9.9198 9.9632 9.9632 11.1296 11.1296 11.1675 11.1675 k = 0.5000 0.0491 0.3092 ( 4568 PWs) bands (ev): -2.6495 -2.6495 -2.6488 -2.6488 -0.9797 -0.9797 -0.9733 -0.9733 3.5674 3.5674 3.6401 3.6401 5.2969 5.2969 5.3052 5.3052 5.9780 5.9780 6.0294 6.0294 6.6510 6.6510 6.7799 6.7799 7.4131 7.4131 7.4227 7.4227 7.9663 7.9663 8.0079 8.0079 8.4331 8.4331 8.4636 8.4636 9.0497 9.0497 9.0675 9.0675 9.9291 9.9291 9.9715 9.9715 11.1516 11.1516 11.1886 11.1886 k = 0.5000 0.0614 0.3092 ( 4568 PWs) bands (ev): -2.6414 -2.6414 -2.6407 -2.6407 -0.9869 -0.9869 -0.9806 -0.9806 3.5355 3.5355 3.6034 3.6034 5.3255 5.3255 5.3534 5.3534 5.8951 5.8951 5.9644 5.9644 6.7015 6.7015 6.8274 6.8274 7.4160 7.4160 7.4231 7.4231 7.9990 7.9990 8.0420 8.0420 8.4405 8.4405 8.4713 8.4713 9.0501 9.0501 9.0676 9.0676 9.9412 9.9412 9.9822 9.9822 11.1797 11.1797 11.2153 11.2153 k = 0.5000 0.0736 0.3092 ( 4568 PWs) bands (ev): -2.6316 -2.6316 -2.6308 -2.6308 -0.9956 -0.9956 -0.9894 -0.9894 3.5002 3.5002 3.5631 3.5631 5.3455 5.3455 5.3969 5.3969 5.8226 5.8226 5.9110 5.9110 6.7462 6.7462 6.8714 6.8714 7.4208 7.4208 7.4251 7.4251 8.0361 8.0361 8.0802 8.0802 8.4496 8.4496 8.4809 8.4809 9.0506 9.0506 9.0679 9.0679 9.9560 9.9560 9.9954 9.9954 11.2136 11.2136 11.2472 11.2472 k = 0.5000 0.0859 0.3092 ( 4564 PWs) bands (ev): -2.6200 -2.6200 -2.6193 -2.6193 -1.0060 -1.0060 -0.9999 -0.9999 3.4629 3.4629 3.5209 3.5209 5.3465 5.3465 5.4179 5.4179 5.7775 5.7775 5.8798 5.8798 6.7849 6.7849 6.9111 6.9111 7.4279 7.4279 7.4293 7.4293 8.0763 8.0763 8.1211 8.1211 8.4607 8.4607 8.4926 8.4926 9.0513 9.0513 9.0682 9.0682 9.9736 9.9736 10.0111 10.0111 11.2531 11.2531 11.2838 11.2838 k = 0.5000 0.0982 0.3092 ( 4556 PWs) bands (ev): -2.6067 -2.6067 -2.6060 -2.6060 -1.0181 -1.0181 -1.0121 -1.0121 3.4248 3.4248 3.4781 3.4781 5.3202 5.3202 5.3956 5.3956 5.7801 5.7801 5.8786 5.8786 6.8175 6.8175 6.9461 6.9461 7.4357 7.4357 7.4376 7.4376 8.1180 8.1180 8.1630 8.1630 8.4740 8.4740 8.5066 8.5066 9.0521 9.0521 9.0685 9.0685 9.9941 9.9941 10.0294 10.0294 11.2976 11.2976 11.3239 11.3239 k = 0.5000 0.1104 0.3092 ( 4556 PWs) bands (ev): -2.5918 -2.5918 -2.5911 -2.5911 -1.0318 -1.0318 -1.0260 -1.0260 3.3871 3.3871 3.4360 3.4360 5.2673 5.2673 5.3328 5.3328 5.8267 5.8267 5.9062 5.9062 6.8445 6.8445 6.9764 6.9764 7.4447 7.4447 7.4501 7.4501 8.1599 8.1599 8.2045 8.2045 8.4896 8.4896 8.5231 8.5231 9.0529 9.0529 9.0689 9.0689 10.0175 10.0175 10.0503 10.0503 11.3463 11.3463 11.3661 11.3661 k = 0.5000 0.1227 0.3092 ( 4556 PWs) bands (ev): -2.5754 -2.5754 -2.5746 -2.5746 -1.0472 -1.0472 -1.0415 -1.0415 3.3507 3.3507 3.3955 3.3955 5.1953 5.1953 5.2483 5.2483 5.8976 5.8976 5.9546 5.9546 6.8664 6.8664 7.0027 7.0027 7.4561 7.4561 7.4653 7.4653 8.2006 8.2006 8.2443 8.2443 8.5079 8.5079 8.5424 8.5424 9.0538 9.0538 9.0693 9.0693 10.0438 10.0438 10.0738 10.0738 11.3980 11.3980 11.4077 11.4077 k = 0.5000 0.1350 0.3092 ( 4556 PWs) bands (ev): -2.5574 -2.5574 -2.5566 -2.5566 -1.0642 -1.0642 -1.0587 -1.0587 3.3164 3.3164 3.3575 3.3575 5.1114 5.1114 5.1540 5.1540 5.9804 5.9804 6.0157 6.0157 6.8839 6.8839 7.0256 7.0256 7.4697 7.4697 7.4830 7.4830 8.2387 8.2387 8.2810 8.2810 8.5291 8.5291 8.5648 8.5648 9.0548 9.0548 9.0698 9.0698 10.0731 10.0731 10.1000 10.1000 11.4449 11.4449 11.4506 11.4506 k = 0.5000 0.1473 0.3092 ( 4544 PWs) bands (ev): -2.5379 -2.5379 -2.5371 -2.5371 -1.0827 -1.0827 -1.0774 -1.0774 3.2850 3.2850 3.3226 3.3226 5.0208 5.0208 5.0554 5.0554 6.0688 6.0688 6.0836 6.0836 6.8978 6.8978 7.0457 7.0457 7.4853 7.4853 7.5031 7.5031 8.2732 8.2732 8.3138 8.3138 8.5537 8.5537 8.5903 8.5903 9.0560 9.0560 9.0704 9.0704 10.1054 10.1054 10.1290 10.1290 11.4716 11.4716 11.5012 11.5012 k = 0.5000 0.1595 0.3092 ( 4544 PWs) bands (ev): -2.5171 -2.5171 -2.5162 -2.5162 -1.1029 -1.1029 -1.0978 -1.0978 3.2569 3.2569 3.2913 3.2913 4.9266 4.9266 4.9551 4.9551 6.1546 6.1546 6.1597 6.1597 6.9088 6.9088 7.0639 7.0639 7.5026 7.5026 7.5252 7.5252 8.3033 8.3033 8.3422 8.3422 8.5816 8.5816 8.6188 8.6188 9.0572 9.0572 9.0710 9.0710 10.1407 10.1407 10.1607 10.1607 11.4812 11.4812 11.5441 11.5441 k = 0.5000 0.1718 0.3092 ( 4544 PWs) bands (ev): -2.4950 -2.4950 -2.4941 -2.4941 -1.1245 -1.1245 -1.1196 -1.1196 3.2325 3.2325 3.2640 3.2640 4.8308 4.8308 4.8545 4.8545 6.2259 6.2259 6.2509 6.2509 6.9178 6.9178 7.0810 7.0810 7.5213 7.5213 7.5490 7.5490 8.3287 8.3287 8.3662 8.3662 8.6128 8.6128 8.6499 8.6499 9.0585 9.0585 9.0716 9.0716 10.1788 10.1788 10.1952 10.1952 11.4696 11.4696 11.5694 11.5694 k = 0.5000 0.1841 0.3092 ( 4552 PWs) bands (ev): -2.4717 -2.4717 -2.4709 -2.4709 -1.1476 -1.1476 -1.1428 -1.1428 3.2123 3.2123 3.2411 3.2411 4.7345 4.7345 4.7544 4.7544 6.2957 6.2957 6.3406 6.3406 6.9255 6.9255 7.0975 7.0975 7.5412 7.5412 7.5743 7.5743 8.3494 8.3494 8.3858 8.3858 8.6467 8.6467 8.6830 8.6830 9.0598 9.0598 9.0723 9.0723 10.2198 10.2198 10.2324 10.2324 11.4387 11.4387 11.5656 11.5656 k = 0.5000 0.1964 0.3092 ( 4560 PWs) bands (ev): -2.4475 -2.4475 -2.4466 -2.4466 -1.1718 -1.1718 -1.1673 -1.1673 3.1965 3.1965 3.2228 3.2228 4.6386 4.6386 4.6555 4.6555 6.3623 6.3623 6.4275 6.4275 6.9329 6.9329 7.1139 7.1139 7.5622 7.5622 7.6010 7.6010 8.3657 8.3657 8.4014 8.4014 8.6828 8.6828 8.7175 8.7175 9.0613 9.0613 9.0731 9.0731 10.2635 10.2635 10.2723 10.2723 11.3942 11.3942 11.5329 11.5329 k = 0.5000 0.2086 0.3092 ( 4552 PWs) bands (ev): -2.4223 -2.4223 -2.4214 -2.4214 -1.1972 -1.1972 -1.1929 -1.1929 3.1854 3.1854 3.2093 3.2093 4.5439 4.5439 4.5582 4.5582 6.4247 6.4247 6.5096 6.5096 6.9412 6.9412 7.1308 7.1308 7.5840 7.5840 7.6287 7.6287 8.3780 8.3780 8.4134 8.4134 8.7206 8.7206 8.7529 8.7529 9.0628 9.0628 9.0740 9.0740 10.3096 10.3096 10.3148 10.3148 11.3417 11.3417 11.4830 11.4830 k = 0.5000 0.2209 0.3092 ( 4560 PWs) bands (ev): -2.3965 -2.3965 -2.3955 -2.3955 -1.2235 -1.2235 -1.2195 -1.2195 3.1789 3.1789 3.2007 3.2007 4.4507 4.4507 4.4628 4.4628 6.4819 6.4819 6.5850 6.5850 6.9518 6.9518 7.1482 7.1482 7.6066 7.6066 7.6572 7.6572 8.3866 8.3866 8.4221 8.4221 8.7593 8.7593 8.7886 8.7886 9.0644 9.0644 9.0749 9.0749 10.3578 10.3578 10.3595 10.3595 11.2853 11.2853 11.4256 11.4256 k = 0.5000 0.2332 0.3092 ( 4556 PWs) bands (ev): -2.3701 -2.3701 -2.3692 -2.3692 -1.2504 -1.2504 -1.2467 -1.2467 3.1773 3.1773 3.1971 3.1971 4.3596 4.3596 4.3698 4.3698 6.5335 6.5335 6.6512 6.6512 6.9666 6.9666 7.1661 7.1661 7.6300 7.6300 7.6863 7.6863 8.3922 8.3922 8.4279 8.4279 8.7984 8.7984 8.8242 8.8242 9.0663 9.0663 9.0760 9.0760 10.4060 10.4060 10.4075 10.4075 11.2281 11.2281 11.3661 11.3661 k = 0.5000 0.2454 0.3092 ( 4564 PWs) bands (ev): -2.3436 -2.3436 -2.3427 -2.3427 -1.2777 -1.2777 -1.2742 -1.2742 3.1806 3.1806 3.1985 3.1985 4.2709 4.2709 4.2794 4.2794 6.5790 6.5790 6.7056 6.7056 6.9876 6.9876 7.1844 7.1844 7.6541 7.6541 7.7156 7.7156 8.3948 8.3948 8.4309 8.4309 8.8375 8.8375 8.8594 8.8594 9.0682 9.0682 9.0771 9.0771 10.4536 10.4536 10.4578 10.4578 11.1726 11.1726 11.3077 11.3077 k = 0.5000 0.2577 0.3092 ( 4560 PWs) bands (ev): -2.3171 -2.3171 -2.3162 -2.3162 -1.3051 -1.3051 -1.3018 -1.3018 3.1887 3.1887 3.2048 3.2048 4.1850 4.1850 4.1919 4.1919 6.6187 6.6187 6.7463 6.7463 7.0161 7.0161 7.2026 7.2026 7.6789 7.6789 7.7446 7.7446 8.3950 8.3950 8.4313 8.4313 8.8758 8.8758 8.8937 8.8937 9.0704 9.0704 9.0786 9.0786 10.5012 10.5012 10.5076 10.5076 11.1212 11.1212 11.2531 11.2531 k = 0.5000 0.2700 0.3092 ( 4560 PWs) bands (ev): -2.2911 -2.2911 -2.2902 -2.2902 -1.3321 -1.3321 -1.3291 -1.3291 3.2015 3.2015 3.2160 3.2160 4.1021 4.1021 4.1077 4.1077 6.6528 6.6528 6.7738 6.7738 7.0511 7.0511 7.2202 7.2202 7.7044 7.7044 7.7729 7.7729 8.3933 8.3933 8.4295 8.4295 8.9127 8.9127 8.9266 8.9266 9.0730 9.0730 9.0803 9.0803 10.5471 10.5471 10.5550 10.5550 11.0768 11.0768 11.2051 11.2051 k = 0.5000 0.2823 0.3092 ( 4564 PWs) bands (ev): -2.2659 -2.2659 -2.2650 -2.2650 -1.3582 -1.3582 -1.3555 -1.3555 3.2188 3.2188 3.2317 3.2317 4.0228 4.0228 4.0270 4.0270 6.6818 6.6818 6.7907 6.7907 7.0895 7.0895 7.2366 7.2366 7.7303 7.7303 7.7998 7.7998 8.3899 8.3899 8.4256 8.4256 8.9473 8.9473 8.9574 8.9574 9.0762 9.0762 9.0827 9.0827 10.5884 10.5884 10.5974 10.5974 11.0428 11.0428 11.1667 11.1667 k = 0.5000 0.2945 0.3092 ( 4568 PWs) bands (ev): -2.2420 -2.2420 -2.2412 -2.2412 -1.3829 -1.3829 -1.3806 -1.3806 3.2403 3.2403 3.2517 3.2517 3.9474 3.9474 3.9504 3.9504 6.7062 6.7062 6.8001 6.8001 7.1280 7.1280 7.2511 7.2511 7.7563 7.7563 7.8243 7.8243 8.3857 8.3857 8.4200 8.4200 8.9782 8.9782 8.9851 8.9851 9.0805 9.0805 9.0860 9.0860 10.6217 10.6217 10.6315 10.6315 11.0235 11.0235 11.1416 11.1416 k = 0.5000 0.3068 0.3092 ( 4564 PWs) bands (ev): -2.2201 -2.2201 -2.2194 -2.2194 -1.4057 -1.4057 -1.4036 -1.4036 3.2657 3.2657 3.2756 3.2756 3.8765 3.8765 3.8784 3.8784 6.7268 6.7268 6.8046 6.8046 7.1639 7.1639 7.2632 7.2632 7.7820 7.7820 7.8457 7.8457 8.3811 8.3811 8.4131 8.4131 9.0043 9.0043 9.0086 9.0086 9.0864 9.0864 9.0908 9.0908 10.6434 10.6434 10.6546 10.6546 11.0227 11.0227 11.1323 11.1323 k = 0.5000 0.3191 0.3092 ( 4564 PWs) bands (ev): -2.2008 -2.2008 -2.2002 -2.2002 -1.4257 -1.4257 -1.4240 -1.4240 3.2939 3.2939 3.3023 3.3023 3.8110 3.8110 3.8120 3.8120 6.7441 6.7441 6.8057 6.8057 7.1956 7.1956 7.2723 7.2723 7.8067 7.8067 7.8630 7.8630 8.3770 8.3770 8.4053 8.4053 9.0239 9.0239 9.0265 9.0265 9.0945 9.0945 9.0976 9.0976 10.6533 10.6533 10.6656 10.6656 11.0405 11.0405 11.1390 11.1390 k = 0.5000 0.3313 0.3092 ( 4564 PWs) bands (ev): -2.1847 -2.1847 -2.1842 -2.1842 -1.4422 -1.4422 -1.4409 -1.4409 3.3237 3.3237 3.3305 3.3305 3.7525 3.7525 3.7526 3.7526 6.7586 6.7586 6.8042 6.8042 7.2224 7.2224 7.2781 7.2781 7.8296 7.8296 7.8753 7.8753 8.3740 8.3740 8.3972 8.3972 9.0368 9.0368 9.0385 9.0385 9.1043 9.1043 9.1060 9.1060 10.6547 10.6547 10.6667 10.6667 11.0727 11.0727 11.1571 11.1571 k = 0.5000 0.3436 0.3092 ( 4564 PWs) bands (ev): -2.1726 -2.1726 -2.1722 -2.1722 -1.4546 -1.4546 -1.4537 -1.4537 3.3524 3.3524 3.3574 3.3574 3.7032 3.7032 3.7035 3.7035 6.7707 6.7707 6.8009 6.8009 7.2439 7.2439 7.2802 7.2802 7.8496 7.8496 7.8820 7.8820 8.3728 8.3728 8.3893 8.3893 9.0443 9.0443 9.0454 9.0454 9.1136 9.1136 9.1143 9.1143 10.6527 10.6527 10.6623 10.6623 11.1123 11.1123 11.1773 11.1773 k = 0.5000 0.3559 0.3092 ( 4548 PWs) bands (ev): -2.1650 -2.1650 -2.1648 -2.1648 -1.4622 -1.4622 -1.4618 -1.4618 3.3752 3.3752 3.3779 3.3779 3.6686 3.6686 3.6690 3.6690 6.7808 6.7808 6.7958 6.7958 7.2603 7.2603 7.2781 7.2781 7.8657 7.8657 7.8825 7.8825 8.3739 8.3739 8.3825 8.3825 9.0483 9.0483 9.0488 9.0488 9.1202 9.1202 9.1204 9.1204 10.6513 10.6513 10.6566 10.6566 11.1508 11.1508 11.1879 11.1879 k = 0.5000 0.3682 0.3092 ( 4544 PWs) bands (ev): -2.1624 -2.1624 -2.1624 -2.1624 -1.4647 -1.4647 -1.4647 -1.4647 3.3851 3.3851 3.3851 3.3851 3.6560 3.6560 3.6560 3.6560 6.7891 6.7891 6.7891 6.7891 7.2716 7.2716 7.2716 7.2716 7.8769 7.8769 7.8769 7.8769 8.3772 8.3772 8.3772 8.3772 9.0497 9.0497 9.0497 9.0497 9.1226 9.1226 9.1226 9.1226 10.6525 10.6525 10.6525 10.6525 11.1789 11.1789 11.1789 11.1789 k = 0.5000 0.3682 0.3092 ( 4544 PWs) bands (ev): -2.1624 -2.1624 -2.1624 -2.1624 -1.4647 -1.4647 -1.4647 -1.4647 3.3851 3.3851 3.3851 3.3851 3.6560 3.6560 3.6560 3.6560 6.7891 6.7891 6.7891 6.7891 7.2716 7.2716 7.2716 7.2716 7.8769 7.8769 7.8769 7.8769 8.3772 8.3772 8.3772 8.3772 9.0497 9.0497 9.0497 9.0497 9.1226 9.1226 9.1226 9.1226 10.6525 10.6525 10.6525 10.6525 11.1789 11.1789 11.1789 11.1789 k = 0.4878 0.3682 0.3092 ( 4544 PWs) bands (ev): -2.1633 -2.1633 -2.1633 -2.1633 -1.4664 -1.4664 -1.4664 -1.4664 3.3883 3.3883 3.3883 3.3883 3.6585 3.6585 3.6585 3.6585 6.7884 6.7884 6.7884 6.7884 7.2726 7.2726 7.2726 7.2726 7.8759 7.8759 7.8759 7.8759 8.3769 8.3769 8.3769 8.3769 9.0493 9.0493 9.0493 9.0493 9.1223 9.1223 9.1223 9.1223 10.6522 10.6522 10.6522 10.6522 11.1812 11.1812 11.1812 11.1812 k = 0.4756 0.3682 0.3092 ( 4548 PWs) bands (ev): -2.1661 -2.1661 -2.1661 -2.1661 -1.4714 -1.4714 -1.4714 -1.4714 3.3978 3.3978 3.3978 3.3978 3.6660 3.6660 3.6660 3.6660 6.7864 6.7864 6.7864 6.7864 7.2758 7.2758 7.2758 7.2758 7.8728 7.8728 7.8728 7.8728 8.3762 8.3762 8.3762 8.3762 9.0481 9.0481 9.0481 9.0481 9.1213 9.1213 9.1213 9.1213 10.6516 10.6516 10.6516 10.6516 11.1881 11.1881 11.1881 11.1881 k = 0.4634 0.3682 0.3092 ( 4548 PWs) bands (ev): -2.1707 -2.1707 -2.1707 -2.1707 -1.4798 -1.4798 -1.4798 -1.4798 3.4136 3.4136 3.4136 3.4136 3.6785 3.6785 3.6785 3.6785 6.7832 6.7832 6.7832 6.7832 7.2810 7.2810 7.2810 7.2810 7.8676 7.8676 7.8676 7.8676 8.3749 8.3749 8.3749 8.3749 9.0463 9.0463 9.0463 9.0463 9.1198 9.1198 9.1198 9.1198 10.6505 10.6505 10.6505 10.6505 11.1994 11.1994 11.1994 11.1994 k = 0.4512 0.3682 0.3092 ( 4552 PWs) bands (ev): -2.1771 -2.1771 -2.1771 -2.1771 -1.4914 -1.4914 -1.4914 -1.4914 3.4354 3.4354 3.4354 3.4354 3.6959 3.6959 3.6959 3.6959 6.7788 6.7788 6.7788 6.7788 7.2884 7.2884 7.2884 7.2884 7.8605 7.8605 7.8605 7.8605 8.3731 8.3731 8.3731 8.3731 9.0439 9.0439 9.0439 9.0439 9.1178 9.1178 9.1178 9.1178 10.6490 10.6490 10.6490 10.6490 11.2148 11.2148 11.2148 11.2148 k = 0.4390 0.3682 0.3092 ( 4564 PWs) bands (ev): -2.1852 -2.1852 -2.1852 -2.1852 -1.5060 -1.5060 -1.5060 -1.5060 3.4631 3.4631 3.4631 3.4631 3.7181 3.7181 3.7181 3.7181 6.7735 6.7735 6.7735 6.7735 7.2977 7.2977 7.2977 7.2977 7.8514 7.8514 7.8514 7.8514 8.3705 8.3705 8.3705 8.3705 9.0408 9.0408 9.0408 9.0408 9.1152 9.1152 9.1152 9.1152 10.6473 10.6473 10.6473 10.6473 11.2340 11.2340 11.2340 11.2340 k = 0.4268 0.3682 0.3092 ( 4564 PWs) bands (ev): -2.1949 -2.1949 -2.1949 -2.1949 -1.5235 -1.5235 -1.5235 -1.5235 3.4963 3.4963 3.4963 3.4963 3.7450 3.7450 3.7450 3.7450 6.7676 6.7676 6.7676 6.7676 7.3091 7.3091 7.3091 7.3091 7.8405 7.8405 7.8405 7.8405 8.3672 8.3672 8.3672 8.3672 9.0373 9.0373 9.0373 9.0373 9.1124 9.1124 9.1124 9.1124 10.6454 10.6454 10.6454 10.6454 11.2563 11.2563 11.2563 11.2563 k = 0.4146 0.3682 0.3092 ( 4568 PWs) bands (ev): -2.2062 -2.2062 -2.2062 -2.2062 -1.5437 -1.5437 -1.5437 -1.5437 3.5345 3.5345 3.5345 3.5345 3.7765 3.7765 3.7765 3.7765 6.7614 6.7614 6.7614 6.7614 7.3223 7.3223 7.3223 7.3223 7.8279 7.8279 7.8279 7.8279 8.3630 8.3630 8.3630 8.3630 9.0335 9.0335 9.0335 9.0335 9.1093 9.1093 9.1093 9.1093 10.6433 10.6433 10.6433 10.6433 11.2809 11.2809 11.2809 11.2809 k = 0.4024 0.3682 0.3092 ( 4564 PWs) bands (ev): -2.2190 -2.2190 -2.2190 -2.2190 -1.5663 -1.5663 -1.5663 -1.5663 3.5775 3.5775 3.5775 3.5775 3.8124 3.8124 3.8124 3.8124 6.7553 6.7553 6.7553 6.7553 7.3373 7.3373 7.3373 7.3373 7.8139 7.8139 7.8139 7.8139 8.3579 8.3579 8.3579 8.3579 9.0295 9.0295 9.0295 9.0295 9.1061 9.1061 9.1061 9.1061 10.6411 10.6411 10.6411 10.6411 11.3067 11.3067 11.3067 11.3067 k = 0.3902 0.3682 0.3092 ( 4568 PWs) bands (ev): -2.2331 -2.2331 -2.2331 -2.2331 -1.5912 -1.5912 -1.5912 -1.5912 3.6247 3.6247 3.6247 3.6247 3.8524 3.8524 3.8524 3.8524 6.7496 6.7496 6.7496 6.7496 7.3536 7.3536 7.3536 7.3536 7.7987 7.7987 7.7987 7.7987 8.3518 8.3518 8.3518 8.3518 9.0253 9.0253 9.0253 9.0253 9.1028 9.1028 9.1028 9.1028 10.6388 10.6388 10.6388 10.6388 11.3316 11.3316 11.3316 11.3316 k = 0.3780 0.3682 0.3092 ( 4572 PWs) bands (ev): -2.2484 -2.2484 -2.2484 -2.2484 -1.6180 -1.6180 -1.6180 -1.6180 3.6756 3.6756 3.6756 3.6756 3.8966 3.8966 3.8966 3.8966 6.7448 6.7448 6.7448 6.7448 7.3711 7.3711 7.3711 7.3711 7.7829 7.7829 7.7829 7.7829 8.3446 8.3446 8.3446 8.3446 9.0212 9.0212 9.0212 9.0212 9.0995 9.0995 9.0995 9.0995 10.6364 10.6364 10.6364 10.6364 11.3520 11.3520 11.3520 11.3520 k = 0.3659 0.3682 0.3092 ( 4564 PWs) bands (ev): -2.2648 -2.2648 -2.2648 -2.2648 -1.6465 -1.6465 -1.6465 -1.6465 3.7296 3.7296 3.7296 3.7296 3.9445 3.9445 3.9445 3.9445 6.7415 6.7415 6.7415 6.7415 7.3889 7.3889 7.3889 7.3889 7.7670 7.7670 7.7670 7.7670 8.3364 8.3364 8.3364 8.3364 9.0172 9.0172 9.0172 9.0172 9.0963 9.0963 9.0963 9.0963 10.6339 10.6339 10.6339 10.6339 11.3630 11.3630 11.3630 11.3630 k = 0.3537 0.3682 0.3092 ( 4564 PWs) bands (ev): -2.2822 -2.2822 -2.2822 -2.2822 -1.6764 -1.6764 -1.6764 -1.6764 3.7861 3.7861 3.7861 3.7861 3.9961 3.9961 3.9961 3.9961 6.7400 6.7400 6.7400 6.7400 7.4062 7.4062 7.4062 7.4062 7.7520 7.7520 7.7520 7.7520 8.3271 8.3271 8.3271 8.3271 9.0133 9.0133 9.0133 9.0133 9.0933 9.0933 9.0933 9.0933 10.6312 10.6312 10.6312 10.6312 11.3617 11.3617 11.3617 11.3617 k = 0.3415 0.3682 0.3092 ( 4548 PWs) bands (ev): -2.3004 -2.3004 -2.3004 -2.3004 -1.7075 -1.7075 -1.7075 -1.7075 3.8444 3.8444 3.8444 3.8444 4.0510 4.0510 4.0510 4.0510 6.7410 6.7410 6.7410 6.7410 7.4217 7.4217 7.4217 7.4217 7.7395 7.7395 7.7395 7.7395 8.3168 8.3168 8.3168 8.3168 9.0097 9.0097 9.0097 9.0097 9.0904 9.0904 9.0904 9.0904 10.6284 10.6284 10.6284 10.6284 11.3504 11.3504 11.3504 11.3504 k = 0.3293 0.3682 0.3092 ( 4548 PWs) bands (ev): -2.3193 -2.3193 -2.3193 -2.3193 -1.7395 -1.7395 -1.7395 -1.7395 3.9039 3.9039 3.9039 3.9039 4.1090 4.1090 4.1090 4.1090 6.7450 6.7450 6.7450 6.7450 7.4333 7.4333 7.4333 7.4333 7.7314 7.7314 7.7314 7.7314 8.3055 8.3055 8.3055 8.3055 9.0064 9.0064 9.0064 9.0064 9.0877 9.0877 9.0877 9.0877 10.6254 10.6254 10.6254 10.6254 11.3330 11.3330 11.3330 11.3330 k = 0.3171 0.3682 0.3092 ( 4560 PWs) bands (ev): -2.3388 -2.3388 -2.3388 -2.3388 -1.7723 -1.7723 -1.7723 -1.7723 3.9639 3.9639 3.9639 3.9639 4.1699 4.1699 4.1699 4.1699 6.7524 6.7524 6.7524 6.7524 7.4390 7.4390 7.4390 7.4390 7.7298 7.7298 7.7298 7.7298 8.2932 8.2932 8.2932 8.2932 9.0034 9.0034 9.0034 9.0034 9.0851 9.0851 9.0851 9.0851 10.6221 10.6221 10.6221 10.6221 11.3120 11.3120 11.3120 11.3120 k = 0.3049 0.3682 0.3092 ( 4564 PWs) bands (ev): -2.3588 -2.3588 -2.3588 -2.3588 -1.8054 -1.8054 -1.8054 -1.8054 4.0238 4.0238 4.0238 4.0238 4.2333 4.2333 4.2333 4.2333 6.7638 6.7638 6.7638 6.7638 7.4370 7.4370 7.4370 7.4370 7.7366 7.7366 7.7366 7.7366 8.2803 8.2803 8.2803 8.2803 9.0006 9.0006 9.0006 9.0006 9.0826 9.0826 9.0826 9.0826 10.6184 10.6184 10.6184 10.6184 11.2892 11.2892 11.2892 11.2892 k = 0.2927 0.3682 0.3092 ( 4568 PWs) bands (ev): -2.3790 -2.3790 -2.3790 -2.3790 -1.8388 -1.8388 -1.8388 -1.8388 4.0828 4.0828 4.0828 4.0828 4.2991 4.2991 4.2991 4.2991 6.7797 6.7797 6.7797 6.7797 7.4269 7.4269 7.4269 7.4269 7.7524 7.7524 7.7524 7.7524 8.2667 8.2667 8.2667 8.2667 8.9982 8.9982 8.9982 8.9982 9.0803 9.0803 9.0803 9.0803 10.6143 10.6143 10.6143 10.6143 11.2655 11.2655 11.2655 11.2655 k = 0.2805 0.3682 0.3092 ( 4576 PWs) bands (ev): -2.3993 -2.3993 -2.3993 -2.3993 -1.8723 -1.8723 -1.8723 -1.8723 4.1404 4.1404 4.1404 4.1404 4.3668 4.3668 4.3668 4.3668 6.8004 6.8004 6.8004 6.8004 7.4096 7.4096 7.4096 7.4096 7.7762 7.7762 7.7762 7.7762 8.2526 8.2526 8.2526 8.2526 8.9959 8.9959 8.9959 8.9959 9.0780 9.0780 9.0780 9.0780 10.6097 10.6097 10.6097 10.6097 11.2417 11.2417 11.2417 11.2417 k = 0.2683 0.3682 0.3092 ( 4576 PWs) bands (ev): -2.4198 -2.4198 -2.4198 -2.4198 -1.9055 -1.9055 -1.9055 -1.9055 4.1958 4.1958 4.1958 4.1958 4.4362 4.4362 4.4362 4.4362 6.8261 6.8261 6.8261 6.8261 7.3868 7.3868 7.3868 7.3868 7.8067 7.8067 7.8067 7.8067 8.2382 8.2382 8.2382 8.2382 8.9939 8.9939 8.9939 8.9939 9.0757 9.0757 9.0757 9.0757 10.6046 10.6046 10.6046 10.6046 11.2186 11.2186 11.2186 11.2186 k = 0.2561 0.3682 0.3092 ( 4580 PWs) bands (ev): -2.4401 -2.4401 -2.4401 -2.4401 -1.9383 -1.9383 -1.9383 -1.9383 4.2487 4.2487 4.2487 4.2487 4.5069 4.5069 4.5069 4.5069 6.8570 6.8570 6.8570 6.8570 7.3603 7.3603 7.3603 7.3603 7.8422 7.8422 7.8422 7.8422 8.2237 8.2237 8.2237 8.2237 8.9920 8.9920 8.9920 8.9920 9.0733 9.0733 9.0733 9.0733 10.5988 10.5988 10.5988 10.5988 11.1965 11.1965 11.1965 11.1965 k = 0.2439 0.3682 0.3092 ( 4572 PWs) bands (ev): -2.4602 -2.4602 -2.4602 -2.4602 -1.9707 -1.9707 -1.9707 -1.9707 4.2984 4.2984 4.2984 4.2984 4.5788 4.5788 4.5788 4.5788 6.8925 6.8925 6.8925 6.8925 7.3319 7.3319 7.3319 7.3319 7.8814 7.8814 7.8814 7.8814 8.2094 8.2094 8.2094 8.2094 8.9900 8.9900 8.9900 8.9900 9.0709 9.0709 9.0709 9.0709 10.5923 10.5923 10.5923 10.5923 11.1763 11.1763 11.1763 11.1763 k = 0.2317 0.3682 0.3092 ( 4580 PWs) bands (ev): -2.4801 -2.4801 -2.4801 -2.4801 -2.0023 -2.0023 -2.0023 -2.0023 4.3447 4.3447 4.3447 4.3447 4.6513 4.6513 4.6513 4.6513 6.9316 6.9316 6.9316 6.9316 7.3035 7.3035 7.3035 7.3035 7.9232 7.9232 7.9232 7.9232 8.1956 8.1956 8.1956 8.1956 8.9878 8.9878 8.9878 8.9878 9.0682 9.0682 9.0682 9.0682 10.5849 10.5849 10.5849 10.5849 11.1582 11.1582 11.1582 11.1582 k = 0.2195 0.3682 0.3092 ( 4576 PWs) bands (ev): -2.4995 -2.4995 -2.4995 -2.4995 -2.0331 -2.0331 -2.0331 -2.0331 4.3873 4.3873 4.3873 4.3873 4.7244 4.7244 4.7244 4.7244 6.9717 6.9717 6.9717 6.9717 7.2784 7.2784 7.2784 7.2784 7.9665 7.9665 7.9665 7.9665 8.1829 8.1829 8.1829 8.1829 8.9854 8.9854 8.9854 8.9854 9.0653 9.0653 9.0653 9.0653 10.5768 10.5768 10.5768 10.5768 11.1429 11.1429 11.1429 11.1429 k = 0.2073 0.3682 0.3092 ( 4572 PWs) bands (ev): -2.5184 -2.5184 -2.5184 -2.5184 -2.0628 -2.0628 -2.0628 -2.0628 4.4259 4.4259 4.4259 4.4259 4.7978 4.7978 4.7978 4.7978 7.0072 7.0072 7.0072 7.0072 7.2626 7.2626 7.2626 7.2626 8.0097 8.0097 8.0097 8.0097 8.1726 8.1726 8.1726 8.1726 8.9824 8.9824 8.9824 8.9824 9.0621 9.0621 9.0621 9.0621 10.5677 10.5677 10.5677 10.5677 11.1308 11.1308 11.1308 11.1308 k = 0.1951 0.3682 0.3092 ( 4576 PWs) bands (ev): -2.5367 -2.5367 -2.5367 -2.5367 -2.0915 -2.0915 -2.0915 -2.0915 4.4606 4.4606 4.4606 4.4606 4.8710 4.8710 4.8710 4.8710 7.0280 7.0280 7.0280 7.0280 7.2659 7.2659 7.2659 7.2659 8.0492 8.0492 8.0492 8.0492 8.1677 8.1677 8.1677 8.1677 8.9786 8.9786 8.9786 8.9786 9.0585 9.0585 9.0585 9.0585 10.5576 10.5576 10.5576 10.5576 11.1224 11.1224 11.1224 11.1224 k = 0.1829 0.3682 0.3092 ( 4572 PWs) bands (ev): -2.5543 -2.5543 -2.5543 -2.5543 -2.1190 -2.1190 -2.1190 -2.1190 4.4913 4.4913 4.4913 4.4913 4.9439 4.9439 4.9439 4.9439 7.0264 7.0264 7.0264 7.0264 7.2961 7.2961 7.2961 7.2961 8.0775 8.0775 8.0775 8.0775 8.1756 8.1756 8.1756 8.1756 8.9740 8.9740 8.9740 8.9740 9.0546 9.0546 9.0546 9.0546 10.5464 10.5464 10.5464 10.5464 11.1179 11.1179 11.1179 11.1179 k = 0.1707 0.3682 0.3092 ( 4576 PWs) bands (ev): -2.5712 -2.5712 -2.5712 -2.5712 -2.1451 -2.1451 -2.1451 -2.1451 4.5182 4.5182 4.5182 4.5182 5.0162 5.0162 5.0162 5.0162 7.0059 7.0059 7.0059 7.0059 7.3492 7.3492 7.3492 7.3492 8.0873 8.0873 8.0873 8.0873 8.2033 8.2033 8.2033 8.2033 8.9681 8.9681 8.9681 8.9681 9.0503 9.0503 9.0503 9.0503 10.5341 10.5341 10.5341 10.5341 11.1178 11.1178 11.1178 11.1178 k = 0.1585 0.3682 0.3092 ( 4576 PWs) bands (ev): -2.5872 -2.5872 -2.5872 -2.5872 -2.1698 -2.1698 -2.1698 -2.1698 4.5416 4.5416 4.5416 4.5416 5.0876 5.0876 5.0876 5.0876 6.9747 6.9747 6.9747 6.9747 7.4163 7.4163 7.4163 7.4163 8.0853 8.0853 8.0853 8.0853 8.2440 8.2440 8.2440 8.2440 8.9607 8.9607 8.9607 8.9607 9.0456 9.0456 9.0456 9.0456 10.5207 10.5207 10.5207 10.5207 11.1223 11.1223 11.1223 11.1223 k = 0.1463 0.3682 0.3092 ( 4564 PWs) bands (ev): -2.6022 -2.6022 -2.6022 -2.6022 -2.1929 -2.1929 -2.1929 -2.1929 4.5616 4.5616 4.5616 4.5616 5.1578 5.1578 5.1578 5.1578 6.9380 6.9380 6.9380 6.9380 7.4917 7.4917 7.4917 7.4917 8.0793 8.0793 8.0793 8.0793 8.2897 8.2897 8.2897 8.2897 8.9516 8.9516 8.9516 8.9516 9.0405 9.0405 9.0405 9.0405 10.5060 10.5060 10.5060 10.5060 11.1314 11.1314 11.1314 11.1314 k = 0.1341 0.3682 0.3092 ( 4576 PWs) bands (ev): -2.6163 -2.6163 -2.6163 -2.6163 -2.2145 -2.2145 -2.2145 -2.2145 4.5785 4.5785 4.5785 4.5785 5.2264 5.2264 5.2264 5.2264 6.8983 6.8983 6.8983 6.8983 7.5716 7.5716 7.5716 7.5716 8.0728 8.0728 8.0728 8.0728 8.3369 8.3369 8.3369 8.3369 8.9404 8.9404 8.9404 8.9404 9.0351 9.0351 9.0351 9.0351 10.4901 10.4901 10.4901 10.4901 11.1450 11.1450 11.1450 11.1450 k = 0.1220 0.3682 0.3092 ( 4580 PWs) bands (ev): -2.6294 -2.6294 -2.6294 -2.6294 -2.2345 -2.2345 -2.2345 -2.2345 4.5928 4.5928 4.5928 4.5928 5.2931 5.2931 5.2931 5.2931 6.8573 6.8573 6.8573 6.8573 7.6532 7.6532 7.6532 7.6532 8.0677 8.0677 8.0677 8.0677 8.3840 8.3840 8.3840 8.3840 8.9272 8.9272 8.9272 8.9272 9.0292 9.0292 9.0292 9.0292 10.4731 10.4731 10.4731 10.4731 11.1630 11.1630 11.1630 11.1630 k = 0.1098 0.3682 0.3092 ( 4580 PWs) bands (ev): -2.6414 -2.6414 -2.6414 -2.6414 -2.2527 -2.2527 -2.2527 -2.2527 4.6046 4.6046 4.6046 4.6046 5.3575 5.3575 5.3575 5.3575 6.8157 6.8157 6.8157 6.8157 7.7337 7.7337 7.7337 7.7337 8.0658 8.0658 8.0658 8.0658 8.4301 8.4301 8.4301 8.4301 8.9117 8.9117 8.9117 8.9117 9.0228 9.0228 9.0228 9.0228 10.4552 10.4552 10.4552 10.4552 11.1850 11.1850 11.1850 11.1850 k = 0.0976 0.3682 0.3092 ( 4576 PWs) bands (ev): -2.6522 -2.6522 -2.6522 -2.6522 -2.2691 -2.2691 -2.2691 -2.2691 4.6144 4.6144 4.6144 4.6144 5.4190 5.4190 5.4190 5.4190 6.7744 6.7744 6.7744 6.7744 7.8091 7.8091 7.8091 7.8091 8.0698 8.0698 8.0698 8.0698 8.4745 8.4745 8.4745 8.4745 8.8940 8.8940 8.8940 8.8940 9.0159 9.0159 9.0159 9.0159 10.4366 10.4366 10.4366 10.4366 11.2101 11.2101 11.2101 11.2101 k = 0.0854 0.3682 0.3092 ( 4568 PWs) bands (ev): -2.6619 -2.6619 -2.6619 -2.6619 -2.2837 -2.2837 -2.2837 -2.2837 4.6222 4.6222 4.6222 4.6222 5.4771 5.4771 5.4771 5.4771 6.7341 6.7341 6.7341 6.7341 7.8729 7.8729 7.8729 7.8729 8.0849 8.0849 8.0849 8.0849 8.5163 8.5163 8.5163 8.5163 8.8743 8.8743 8.8743 8.8743 9.0084 9.0084 9.0084 9.0084 10.4177 10.4177 10.4177 10.4177 11.2375 11.2375 11.2375 11.2375 k = 0.0732 0.3682 0.3092 ( 4568 PWs) bands (ev): -2.6703 -2.6703 -2.6703 -2.6703 -2.2965 -2.2965 -2.2965 -2.2965 4.6286 4.6286 4.6286 4.6286 5.5311 5.5311 5.5311 5.5311 6.6955 6.6955 6.6955 6.6955 7.9175 7.9175 7.9175 7.9175 8.1176 8.1176 8.1176 8.1176 8.5546 8.5546 8.5546 8.5546 8.8531 8.8531 8.8531 8.8531 9.0001 9.0001 9.0001 9.0001 10.3990 10.3990 10.3990 10.3990 11.2659 11.2659 11.2659 11.2659 k = 0.0610 0.3682 0.3092 ( 4564 PWs) bands (ev): -2.6775 -2.6775 -2.6775 -2.6775 -2.3073 -2.3073 -2.3073 -2.3073 4.6335 4.6335 4.6335 4.6335 5.5800 5.5800 5.5800 5.5800 6.6597 6.6597 6.6597 6.6597 7.9416 7.9416 7.9416 7.9416 8.1676 8.1676 8.1676 8.1676 8.5879 8.5879 8.5879 8.5879 8.8315 8.8315 8.8315 8.8315 8.9911 8.9911 8.9911 8.9911 10.3812 10.3812 10.3812 10.3812 11.2938 11.2938 11.2938 11.2938 k = 0.0488 0.3682 0.3092 ( 4560 PWs) bands (ev): -2.6834 -2.6834 -2.6834 -2.6834 -2.3162 -2.3162 -2.3162 -2.3162 4.6373 4.6373 4.6373 4.6373 5.6227 5.6227 5.6227 5.6227 6.6276 6.6276 6.6276 6.6276 7.9526 7.9526 7.9526 7.9526 8.2259 8.2259 8.2259 8.2259 8.6139 8.6139 8.6139 8.6139 8.8114 8.8114 8.8114 8.8114 8.9816 8.9816 8.9816 8.9816 10.3651 10.3651 10.3651 10.3651 11.3198 11.3198 11.3198 11.3198 k = 0.0366 0.3682 0.3092 ( 4552 PWs) bands (ev): -2.6880 -2.6880 -2.6880 -2.6880 -2.3232 -2.3232 -2.3232 -2.3232 4.6401 4.6401 4.6401 4.6401 5.6581 5.6581 5.6581 5.6581 6.6006 6.6006 6.6006 6.6006 7.9573 7.9573 7.9573 7.9573 8.2836 8.2836 8.2836 8.2836 8.6294 8.6294 8.6294 8.6294 8.7961 8.7961 8.7961 8.7961 8.9722 8.9722 8.9722 8.9722 10.3514 10.3514 10.3514 10.3514 11.3421 11.3421 11.3421 11.3421 k = 0.0244 0.3682 0.3092 ( 4548 PWs) bands (ev): -2.6914 -2.6914 -2.6914 -2.6914 -2.3282 -2.3282 -2.3282 -2.3282 4.6420 4.6420 4.6420 4.6420 5.6847 5.6847 5.6847 5.6847 6.5800 6.5800 6.5800 6.5800 7.9592 7.9592 7.9592 7.9592 8.3337 8.3337 8.3337 8.3337 8.6327 8.6327 8.6327 8.6327 8.7884 8.7884 8.7884 8.7884 8.9638 8.9638 8.9638 8.9638 10.3409 10.3409 10.3409 10.3409 11.3592 11.3592 11.3592 11.3592 k = 0.0122 0.3682 0.3092 ( 4556 PWs) bands (ev): -2.6934 -2.6934 -2.6934 -2.6934 -2.3312 -2.3312 -2.3312 -2.3312 4.6431 4.6431 4.6431 4.6431 5.7013 5.7013 5.7013 5.7013 6.5669 6.5669 6.5669 6.5669 7.9599 7.9599 7.9599 7.9599 8.3694 8.3694 8.3694 8.3694 8.6279 8.6279 8.6279 8.6279 8.7868 8.7868 8.7868 8.7868 8.9577 8.9577 8.9577 8.9577 10.3343 10.3343 10.3343 10.3343 11.3700 11.3700 11.3700 11.3700 k = 0.0000 0.3682 0.3092 ( 4548 PWs) bands (ev): -2.6940 -2.6940 -2.6940 -2.6940 -2.3322 -2.3322 -2.3322 -2.3322 4.6434 4.6434 4.6434 4.6434 5.7070 5.7070 5.7070 5.7070 6.5625 6.5625 6.5625 6.5625 7.9601 7.9601 7.9601 7.9601 8.3828 8.3828 8.3828 8.3828 8.6245 8.6245 8.6245 8.6245 8.7870 8.7870 8.7870 8.7870 8.9555 8.9555 8.9555 8.9555 10.3320 10.3320 10.3320 10.3320 11.3738 11.3738 11.3738 11.3738 k = 0.0000 0.3682 0.3092 ( 4548 PWs) bands (ev): -2.6940 -2.6940 -2.6940 -2.6940 -2.3322 -2.3322 -2.3322 -2.3322 4.6434 4.6434 4.6434 4.6434 5.7070 5.7070 5.7070 5.7070 6.5625 6.5625 6.5625 6.5625 7.9601 7.9601 7.9601 7.9601 8.3828 8.3828 8.3828 8.3828 8.6245 8.6245 8.6245 8.6245 8.7870 8.7870 8.7870 8.7870 8.9555 8.9555 8.9555 8.9555 10.3320 10.3320 10.3320 10.3320 11.3738 11.3738 11.3738 11.3738 k = 0.0000 0.3559 0.3092 ( 4548 PWs) bands (ev): -2.7062 -2.7062 -2.7062 -2.7062 -2.3184 -2.3184 -2.3184 -2.3184 4.6398 4.6398 4.6398 4.6398 5.7115 5.7115 5.7115 5.7115 6.5627 6.5627 6.5627 6.5627 7.9522 7.9522 7.9522 7.9522 8.3797 8.3797 8.3797 8.3797 8.6222 8.6222 8.6222 8.6222 8.7877 8.7877 8.7877 8.7877 8.9587 8.9587 8.9587 8.9587 10.3346 10.3346 10.3346 10.3346 11.3759 11.3759 11.3759 11.3759 k = 0.0000 0.3436 0.3092 ( 4548 PWs) bands (ev): -2.7383 -2.7383 -2.7383 -2.7383 -2.2816 -2.2816 -2.2816 -2.2816 4.6292 4.6292 4.6292 4.6292 5.7248 5.7248 5.7248 5.7248 6.5635 6.5635 6.5635 6.5635 7.9287 7.9287 7.9287 7.9287 8.3715 8.3715 8.3715 8.3715 8.6140 8.6140 8.6140 8.6140 8.7911 8.7911 8.7911 8.7911 8.9672 8.9672 8.9672 8.9672 10.3421 10.3421 10.3421 10.3421 11.3824 11.3824 11.3824 11.3824 k = 0.0000 0.3313 0.3092 ( 4550 PWs) bands (ev): -2.7823 -2.7823 -2.7823 -2.7823 -2.2298 -2.2298 -2.2298 -2.2298 4.6122 4.6122 4.6122 4.6122 5.7463 5.7463 5.7463 5.7463 6.5647 6.5647 6.5647 6.5647 7.8899 7.8899 7.8899 7.8899 8.3599 8.3599 8.3599 8.3599 8.5989 8.5989 8.5989 8.5989 8.7995 8.7995 8.7995 8.7995 8.9791 8.9791 8.9791 8.9791 10.3538 10.3538 10.3538 10.3538 11.3931 11.3931 11.3931 11.3931 k = 0.0000 0.3191 0.3092 ( 4550 PWs) bands (ev): -2.8322 -2.8322 -2.8322 -2.8322 -2.1691 -2.1691 -2.1691 -2.1691 4.5896 4.5896 4.5896 4.5896 5.7749 5.7749 5.7749 5.7749 6.5664 6.5664 6.5664 6.5664 7.8369 7.8369 7.8369 7.8369 8.3462 8.3462 8.3462 8.3462 8.5779 8.5779 8.5779 8.5779 8.8129 8.8129 8.8129 8.8129 8.9927 8.9927 8.9927 8.9927 10.3685 10.3685 10.3685 10.3685 11.4079 11.4079 11.4079 11.4079 k = 0.0000 0.3068 0.3092 ( 4554 PWs) bands (ev): -2.8847 -2.8847 -2.8847 -2.8847 -2.1028 -2.1028 -2.1028 -2.1028 4.5624 4.5624 4.5624 4.5624 5.8094 5.8094 5.8094 5.8094 6.5686 6.5686 6.5686 6.5686 7.7709 7.7709 7.7709 7.7709 8.3308 8.3308 8.3308 8.3308 8.5538 8.5538 8.5538 8.5538 8.8295 8.8295 8.8295 8.8295 9.0070 9.0070 9.0070 9.0070 10.3851 10.3851 10.3851 10.3851 11.4267 11.4267 11.4267 11.4267 k = 0.0000 0.2945 0.3092 ( 4546 PWs) bands (ev): -2.9378 -2.9378 -2.9378 -2.9378 -2.0330 -2.0330 -2.0330 -2.0330 4.5316 4.5316 4.5316 4.5316 5.8487 5.8487 5.8487 5.8487 6.5711 6.5711 6.5711 6.5711 7.6942 7.6942 7.6942 7.6942 8.3131 8.3131 8.3131 8.3131 8.5302 8.5302 8.5302 8.5302 8.8470 8.8470 8.8470 8.8470 9.0216 9.0216 9.0216 9.0216 10.4024 10.4024 10.4024 10.4024 11.4493 11.4493 11.4493 11.4493 k = 0.0000 0.2823 0.3092 ( 4550 PWs) bands (ev): -2.9906 -2.9906 -2.9906 -2.9906 -1.9607 -1.9607 -1.9607 -1.9607 4.4981 4.4981 4.4981 4.4981 5.8914 5.8914 5.8914 5.8914 6.5740 6.5740 6.5740 6.5740 7.6089 7.6089 7.6089 7.6089 8.2920 8.2920 8.2920 8.2920 8.5101 8.5101 8.5101 8.5101 8.8637 8.8637 8.8637 8.8637 9.0366 9.0366 9.0366 9.0366 10.4191 10.4191 10.4191 10.4191 11.4753 11.4753 11.4753 11.4753 k = 0.0000 0.2700 0.3092 ( 4554 PWs) bands (ev): -3.0425 -3.0425 -3.0425 -3.0425 -1.8866 -1.8866 -1.8866 -1.8866 4.4628 4.4628 4.4628 4.4628 5.9361 5.9361 5.9361 5.9361 6.5772 6.5772 6.5772 6.5772 7.5173 7.5173 7.5173 7.5173 8.2667 8.2667 8.2667 8.2667 8.4952 8.4952 8.4952 8.4952 8.8785 8.8785 8.8785 8.8785 9.0521 9.0521 9.0521 9.0521 10.4344 10.4344 10.4344 10.4344 11.5045 11.5045 11.5045 11.5045 k = 0.0000 0.2577 0.3092 ( 4558 PWs) bands (ev): -3.0930 -3.0930 -3.0930 -3.0930 -1.8115 -1.8115 -1.8115 -1.8115 4.4262 4.4262 4.4262 4.4262 5.9816 5.9816 5.9816 5.9816 6.5805 6.5805 6.5805 6.5805 7.4219 7.4219 7.4219 7.4219 8.2373 8.2373 8.2373 8.2373 8.4863 8.4863 8.4863 8.4863 8.8908 8.8908 8.8908 8.8908 9.0682 9.0682 9.0682 9.0682 10.4478 10.4478 10.4478 10.4478 11.5365 11.5365 11.5365 11.5365 k = 0.0000 0.2454 0.3092 ( 4556 PWs) bands (ev): -3.1418 -3.1418 -3.1418 -3.1418 -1.7356 -1.7356 -1.7356 -1.7356 4.3891 4.3891 4.3891 4.3891 6.0263 6.0263 6.0263 6.0263 6.5840 6.5840 6.5840 6.5840 7.3252 7.3252 7.3252 7.3252 8.2045 8.2045 8.2045 8.2045 8.4829 8.4829 8.4829 8.4829 8.9004 8.9004 8.9004 8.9004 9.0848 9.0848 9.0848 9.0848 10.4586 10.4586 10.4586 10.4586 11.5709 11.5709 11.5709 11.5709 k = 0.0000 0.2332 0.3092 ( 4558 PWs) bands (ev): -3.1889 -3.1889 -3.1889 -3.1889 -1.6595 -1.6595 -1.6595 -1.6595 4.3517 4.3517 4.3517 4.3517 6.0684 6.0684 6.0684 6.0684 6.5874 6.5874 6.5874 6.5874 7.2298 7.2298 7.2298 7.2298 8.1694 8.1694 8.1694 8.1694 8.4842 8.4842 8.4842 8.4842 8.9075 8.9075 8.9075 8.9075 9.1017 9.1017 9.1017 9.1017 10.4667 10.4667 10.4667 10.4667 11.6070 11.6070 11.6070 11.6070 k = 0.0000 0.2209 0.3092 ( 4554 PWs) bands (ev): -3.2339 -3.2339 -3.2339 -3.2339 -1.5834 -1.5834 -1.5834 -1.5834 4.3147 4.3147 4.3147 4.3147 6.1056 6.1056 6.1056 6.1056 6.5908 6.5908 6.5908 6.5908 7.1387 7.1387 7.1387 7.1387 8.1331 8.1331 8.1331 8.1331 8.4895 8.4895 8.4895 8.4895 8.9124 8.9124 8.9124 8.9124 9.1185 9.1185 9.1185 9.1185 10.4720 10.4720 10.4720 10.4720 11.6442 11.6442 11.6442 11.6442 k = 0.0000 0.2086 0.3092 ( 4562 PWs) bands (ev): -3.2769 -3.2769 -3.2769 -3.2769 -1.5077 -1.5077 -1.5077 -1.5077 4.2782 4.2782 4.2782 4.2782 6.1349 6.1349 6.1349 6.1349 6.5943 6.5943 6.5943 6.5943 7.0553 7.0553 7.0553 7.0553 8.0963 8.0963 8.0963 8.0963 8.4980 8.4980 8.4980 8.4980 8.9155 8.9155 8.9155 8.9155 9.1349 9.1349 9.1349 9.1349 10.4743 10.4743 10.4743 10.4743 11.6817 11.6817 11.6817 11.6817 k = 0.0000 0.1964 0.3092 ( 4562 PWs) bands (ev): -3.3177 -3.3177 -3.3177 -3.3177 -1.4328 -1.4328 -1.4328 -1.4328 4.2425 4.2425 4.2425 4.2425 6.1526 6.1526 6.1526 6.1526 6.5984 6.5984 6.5984 6.5984 6.9835 6.9835 6.9835 6.9835 8.0597 8.0597 8.0597 8.0597 8.5094 8.5094 8.5094 8.5094 8.9171 8.9171 8.9171 8.9171 9.1507 9.1507 9.1507 9.1507 10.4738 10.4738 10.4738 10.4738 11.7184 11.7184 11.7184 11.7184 k = 0.0000 0.1841 0.3092 ( 4566 PWs) bands (ev): -3.3563 -3.3563 -3.3563 -3.3563 -1.3590 -1.3590 -1.3590 -1.3590 4.2079 4.2079 4.2079 4.2079 6.1547 6.1547 6.1547 6.1547 6.6041 6.6041 6.6041 6.6041 6.9267 6.9267 6.9267 6.9267 8.0237 8.0237 8.0237 8.0237 8.5231 8.5231 8.5231 8.5231 8.9177 8.9177 8.9177 8.9177 9.1657 9.1657 9.1657 9.1657 10.4706 10.4706 10.4706 10.4706 11.7528 11.7528 11.7528 11.7528 k = 0.0000 0.1718 0.3092 ( 4570 PWs) bands (ev): -3.3926 -3.3926 -3.3926 -3.3926 -1.2868 -1.2868 -1.2868 -1.2868 4.1745 4.1745 4.1745 4.1745 6.1383 6.1383 6.1383 6.1383 6.6125 6.6125 6.6125 6.6125 6.8868 6.8868 6.8868 6.8868 7.9887 7.9887 7.9887 7.9887 8.5390 8.5390 8.5390 8.5390 8.9174 8.9174 8.9174 8.9174 9.1798 9.1798 9.1798 9.1798 10.4649 10.4649 10.4649 10.4649 11.7833 11.7833 11.7833 11.7833 k = 0.0000 0.1595 0.3092 ( 4574 PWs) bands (ev): -3.4266 -3.4266 -3.4266 -3.4266 -1.2167 -1.2167 -1.2167 -1.2167 4.1425 4.1425 4.1425 4.1425 6.1039 6.1039 6.1039 6.1039 6.6239 6.6239 6.6239 6.6239 6.8637 6.8637 6.8637 6.8637 7.9549 7.9549 7.9549 7.9549 8.5566 8.5566 8.5566 8.5566 8.9166 8.9166 8.9166 8.9166 9.1928 9.1928 9.1928 9.1928 10.4568 10.4568 10.4568 10.4568 11.8082 11.8082 11.8082 11.8082 k = 0.0000 0.1473 0.3092 ( 4566 PWs) bands (ev): -3.4581 -3.4581 -3.4581 -3.4581 -1.1489 -1.1489 -1.1489 -1.1489 4.1120 4.1120 4.1120 4.1120 6.0548 6.0548 6.0548 6.0548 6.6376 6.6376 6.6376 6.6376 6.8550 6.8550 6.8550 6.8550 7.9227 7.9227 7.9227 7.9227 8.5757 8.5757 8.5757 8.5757 8.9155 8.9155 8.9155 8.9155 9.2048 9.2048 9.2048 9.2048 10.4466 10.4466 10.4466 10.4466 11.8262 11.8262 11.8262 11.8262 k = 0.0000 0.1350 0.3092 ( 4568 PWs) bands (ev): -3.4873 -3.4873 -3.4873 -3.4873 -1.0840 -1.0840 -1.0840 -1.0840 4.0833 4.0833 4.0833 4.0833 5.9960 5.9960 5.9960 5.9960 6.6518 6.6518 6.6518 6.6518 6.8575 6.8575 6.8575 6.8575 7.8922 7.8922 7.8922 7.8922 8.5961 8.5961 8.5961 8.5961 8.9143 8.9143 8.9143 8.9143 9.2156 9.2156 9.2156 9.2156 10.4346 10.4346 10.4346 10.4346 11.8370 11.8370 11.8370 11.8370 k = 0.0000 0.1227 0.3092 ( 4572 PWs) bands (ev): -3.5140 -3.5140 -3.5140 -3.5140 -1.0224 -1.0224 -1.0224 -1.0224 4.0564 4.0564 4.0564 4.0564 5.9324 5.9324 5.9324 5.9324 6.6655 6.6655 6.6655 6.6655 6.8681 6.8681 6.8681 6.8681 7.8637 7.8637 7.8637 7.8637 8.6172 8.6172 8.6172 8.6172 8.9131 8.9131 8.9131 8.9131 9.2253 9.2253 9.2253 9.2253 10.4210 10.4210 10.4210 10.4210 11.8412 11.8412 11.8412 11.8412 k = 0.0000 0.1104 0.3092 ( 4568 PWs) bands (ev): -3.5382 -3.5382 -3.5382 -3.5382 -0.9647 -0.9647 -0.9647 -0.9647 4.0314 4.0314 4.0314 4.0314 5.8677 5.8677 5.8677 5.8677 6.6777 6.6777 6.6777 6.6777 6.8839 6.8839 6.8839 6.8839 7.8373 7.8373 7.8373 7.8373 8.6387 8.6387 8.6387 8.6387 8.9122 8.9122 8.9122 8.9122 9.2339 9.2339 9.2339 9.2339 10.4063 10.4063 10.4063 10.4063 11.8402 11.8402 11.8402 11.8402 k = 0.0000 0.0982 0.3092 ( 4554 PWs) bands (ev): -3.5599 -3.5599 -3.5599 -3.5599 -0.9113 -0.9113 -0.9113 -0.9113 4.0086 4.0086 4.0086 4.0086 5.8047 5.8047 5.8047 5.8047 6.6884 6.6884 6.6884 6.6884 6.9025 6.9025 6.9025 6.9025 7.8132 7.8132 7.8132 7.8132 8.6600 8.6600 8.6600 8.6600 8.9118 8.9118 8.9118 8.9118 9.2415 9.2415 9.2415 9.2415 10.3909 10.3909 10.3909 10.3909 11.8357 11.8357 11.8357 11.8357 k = 0.0000 0.0859 0.3092 ( 4554 PWs) bands (ev): -3.5792 -3.5792 -3.5792 -3.5792 -0.8627 -0.8627 -0.8627 -0.8627 3.9879 3.9879 3.9879 3.9879 5.7456 5.7456 5.7456 5.7456 6.6977 6.6977 6.6977 6.6977 6.9218 6.9218 6.9218 6.9218 7.7916 7.7916 7.7916 7.7916 8.6805 8.6805 8.6805 8.6805 8.9117 8.9117 8.9117 8.9117 9.2480 9.2480 9.2480 9.2480 10.3753 10.3753 10.3753 10.3753 11.8289 11.8289 11.8289 11.8289 k = 0.0000 0.0736 0.3092 ( 4546 PWs) bands (ev): -3.5958 -3.5958 -3.5958 -3.5958 -0.8194 -0.8194 -0.8194 -0.8194 3.9697 3.9697 3.9697 3.9697 5.6920 5.6920 5.6920 5.6920 6.7057 6.7057 6.7057 6.7057 6.9406 6.9406 6.9406 6.9406 7.7725 7.7725 7.7725 7.7725 8.6997 8.6997 8.6997 8.6997 8.9123 8.9123 8.9123 8.9123 9.2535 9.2535 9.2535 9.2535 10.3600 10.3600 10.3600 10.3600 11.8212 11.8212 11.8212 11.8212 k = 0.0000 0.0614 0.3092 ( 4546 PWs) bands (ev): -3.6100 -3.6100 -3.6100 -3.6100 -0.7819 -0.7819 -0.7819 -0.7819 3.9539 3.9539 3.9539 3.9539 5.6449 5.6449 5.6449 5.6449 6.7124 6.7124 6.7124 6.7124 6.9576 6.9576 6.9576 6.9576 7.7562 7.7562 7.7562 7.7562 8.7168 8.7168 8.7168 8.7168 8.9134 8.9134 8.9134 8.9134 9.2580 9.2580 9.2580 9.2580 10.3456 10.3456 10.3456 10.3456 11.8132 11.8132 11.8132 11.8132 k = 0.0000 0.0491 0.3092 ( 4538 PWs) bands (ev): -3.6216 -3.6216 -3.6216 -3.6216 -0.7505 -0.7505 -0.7505 -0.7505 3.9408 3.9408 3.9408 3.9408 5.6053 5.6053 5.6053 5.6053 6.7180 6.7180 6.7180 6.7180 6.9723 6.9723 6.9723 6.9723 7.7426 7.7426 7.7426 7.7426 8.7314 8.7314 8.7314 8.7314 8.9151 8.9151 8.9151 8.9151 9.2617 9.2617 9.2617 9.2617 10.3327 10.3327 10.3327 10.3327 11.8059 11.8059 11.8059 11.8059 k = 0.0000 0.0368 0.3092 ( 4536 PWs) bands (ev): -3.6306 -3.6306 -3.6306 -3.6306 -0.7257 -0.7257 -0.7257 -0.7257 3.9304 3.9304 3.9304 3.9304 5.5738 5.5738 5.5738 5.5738 6.7224 6.7224 6.7224 6.7224 6.9841 6.9841 6.9841 6.9841 7.7320 7.7320 7.7320 7.7320 8.7430 8.7430 8.7430 8.7430 8.9169 8.9169 8.9169 8.9169 9.2644 9.2644 9.2644 9.2644 10.3219 10.3219 10.3219 10.3219 11.7997 11.7997 11.7997 11.7997 k = 0.0000 0.0245 0.3092 ( 4540 PWs) bands (ev): -3.6370 -3.6370 -3.6370 -3.6370 -0.7078 -0.7078 -0.7078 -0.7078 3.9229 3.9229 3.9229 3.9229 5.5510 5.5510 5.5510 5.5510 6.7255 6.7255 6.7255 6.7255 6.9927 6.9927 6.9927 6.9927 7.7243 7.7243 7.7243 7.7243 8.7513 8.7513 8.7513 8.7513 8.9187 8.9187 8.9187 8.9187 9.2664 9.2664 9.2664 9.2664 10.3137 10.3137 10.3137 10.3137 11.7950 11.7950 11.7950 11.7950 k = 0.0000 0.0123 0.3092 ( 4538 PWs) bands (ev): -3.6409 -3.6409 -3.6409 -3.6409 -0.6969 -0.6969 -0.6969 -0.6969 3.9184 3.9184 3.9184 3.9184 5.5372 5.5372 5.5372 5.5372 6.7274 6.7274 6.7274 6.7274 6.9980 6.9980 6.9980 6.9980 7.7197 7.7197 7.7197 7.7197 8.7563 8.7563 8.7563 8.7563 8.9199 8.9199 8.9199 8.9199 9.2675 9.2675 9.2675 9.2675 10.3087 10.3087 10.3087 10.3087 11.7921 11.7921 11.7921 11.7921 k = 0.0000 0.0000 0.3092 ( 4526 PWs) bands (ev): -3.6422 -3.6422 -3.6422 -3.6422 -0.6933 -0.6933 -0.6933 -0.6933 3.9169 3.9169 3.9169 3.9169 5.5326 5.5326 5.5326 5.5326 6.7280 6.7280 6.7280 6.7280 6.9998 6.9998 6.9998 6.9998 7.7182 7.7182 7.7182 7.7182 8.7580 8.7580 8.7580 8.7580 8.9204 8.9204 8.9204 8.9204 9.2679 9.2679 9.2679 9.2679 10.3070 10.3070 10.3070 10.3070 11.7911 11.7911 11.7911 11.7911 k = 0.0000 0.3682-0.0000 ( 4550 PWs) bands (ev): -3.2296 -3.2296 -3.2296 -3.2296 -1.4596 -1.4596 -1.4596 -1.4596 3.2419 3.2419 3.2419 3.2419 6.5543 6.5543 6.5543 6.5543 6.9269 6.9269 6.9269 6.9269 7.3083 7.3083 7.3083 7.3083 8.0524 8.0524 8.0524 8.0524 8.8821 8.8821 8.8821 8.8821 8.9087 8.9087 8.9087 8.9087 9.4896 9.4896 9.4896 9.4896 10.9092 10.9092 10.9092 10.9092 11.5330 11.5330 11.5330 11.5330 k = 0.0000 0.3682 0.0119 ( 4556 PWs) bands (ev): -3.2285 -3.2285 -3.2285 -3.2285 -1.4621 -1.4621 -1.4621 -1.4621 3.2457 3.2457 3.2457 3.2457 6.5540 6.5540 6.5540 6.5540 6.9204 6.9204 6.9204 6.9204 7.3151 7.3151 7.3151 7.3151 8.0534 8.0534 8.0534 8.0534 8.8810 8.8810 8.8810 8.8810 8.9063 8.9063 8.9063 8.9063 9.4879 9.4879 9.4879 9.4879 10.9097 10.9097 10.9097 10.9097 11.5325 11.5325 11.5325 11.5325 k = 0.0000 0.3682 0.0238 ( 4546 PWs) bands (ev): -3.2253 -3.2253 -3.2253 -3.2253 -1.4695 -1.4695 -1.4695 -1.4695 3.2572 3.2572 3.2572 3.2572 6.5533 6.5533 6.5533 6.5533 6.9021 6.9021 6.9021 6.9021 7.3343 7.3343 7.3343 7.3343 8.0568 8.0568 8.0568 8.0568 8.8765 8.8765 8.8765 8.8765 8.9006 8.9006 8.9006 8.9006 9.4831 9.4831 9.4831 9.4831 10.9112 10.9112 10.9112 10.9112 11.5310 11.5310 11.5310 11.5310 k = 0.0000 0.3682 0.0357 ( 4550 PWs) bands (ev): -3.2200 -3.2200 -3.2200 -3.2200 -1.4818 -1.4818 -1.4818 -1.4818 3.2762 3.2762 3.2762 3.2762 6.5519 6.5519 6.5519 6.5519 6.8748 6.8748 6.8748 6.8748 7.3632 7.3632 7.3632 7.3632 8.0622 8.0622 8.0622 8.0622 8.8650 8.8650 8.8650 8.8650 8.8953 8.8953 8.8953 8.8953 9.4751 9.4751 9.4751 9.4751 10.9132 10.9132 10.9132 10.9132 11.5284 11.5284 11.5284 11.5284 k = 0.0000 0.3682 0.0476 ( 4550 PWs) bands (ev): -3.2125 -3.2125 -3.2125 -3.2125 -1.4988 -1.4988 -1.4988 -1.4988 3.3025 3.3025 3.3025 3.3025 6.5499 6.5499 6.5499 6.5499 6.8414 6.8414 6.8414 6.8414 7.3988 7.3988 7.3988 7.3988 8.0698 8.0698 8.0698 8.0698 8.8450 8.8450 8.8450 8.8450 8.8924 8.8924 8.8924 8.8924 9.4640 9.4640 9.4640 9.4640 10.9153 10.9153 10.9153 10.9153 11.5248 11.5248 11.5248 11.5248 k = 0.0000 0.3682 0.0595 ( 4546 PWs) bands (ev): -3.2029 -3.2029 -3.2029 -3.2029 -1.5203 -1.5203 -1.5203 -1.5203 3.3359 3.3359 3.3359 3.3359 6.5469 6.5469 6.5469 6.5469 6.8041 6.8041 6.8041 6.8041 7.4390 7.4390 7.4390 7.4390 8.0795 8.0795 8.0795 8.0795 8.8183 8.8183 8.8183 8.8183 8.8908 8.8908 8.8908 8.8908 9.4500 9.4500 9.4500 9.4500 10.9166 10.9166 10.9166 10.9166 11.5200 11.5200 11.5200 11.5200 k = 0.0000 0.3682 0.0713 ( 4552 PWs) bands (ev): -3.1912 -3.1912 -3.1912 -3.1912 -1.5459 -1.5459 -1.5459 -1.5459 3.3760 3.3760 3.3760 3.3760 6.5425 6.5425 6.5425 6.5425 6.7646 6.7646 6.7646 6.7646 7.4824 7.4824 7.4824 7.4824 8.0912 8.0912 8.0912 8.0912 8.7864 8.7864 8.7864 8.7864 8.8896 8.8896 8.8896 8.8896 9.4332 9.4332 9.4332 9.4332 10.9164 10.9164 10.9164 10.9164 11.5139 11.5139 11.5139 11.5139 k = 0.0000 0.3682 0.0832 ( 4556 PWs) bands (ev): -3.1774 -3.1774 -3.1774 -3.1774 -1.5755 -1.5755 -1.5755 -1.5755 3.4226 3.4226 3.4226 3.4226 6.5359 6.5359 6.5359 6.5359 6.7246 6.7246 6.7246 6.7246 7.5279 7.5279 7.5279 7.5279 8.1049 8.1049 8.1049 8.1049 8.7504 8.7504 8.7504 8.7504 8.8885 8.8885 8.8885 8.8885 9.4136 9.4136 9.4136 9.4136 10.9136 10.9136 10.9136 10.9136 11.5065 11.5065 11.5065 11.5065 k = 0.0000 0.3682 0.0951 ( 4552 PWs) bands (ev): -3.1616 -3.1616 -3.1616 -3.1616 -1.6087 -1.6087 -1.6087 -1.6087 3.4751 3.4751 3.4751 3.4751 6.5256 6.5256 6.5256 6.5256 6.6860 6.6860 6.6860 6.6860 7.5747 7.5747 7.5747 7.5747 8.1204 8.1204 8.1204 8.1204 8.7115 8.7115 8.7115 8.7115 8.8874 8.8874 8.8874 8.8874 9.3917 9.3917 9.3917 9.3917 10.9073 10.9073 10.9073 10.9073 11.4978 11.4978 11.4978 11.4978 k = 0.0000 0.3682 0.1070 ( 4540 PWs) bands (ev): -3.1438 -3.1438 -3.1438 -3.1438 -1.6452 -1.6452 -1.6452 -1.6452 3.5331 3.5331 3.5331 3.5331 6.5091 6.5091 6.5091 6.5091 6.6516 6.6516 6.6516 6.6516 7.6224 7.6224 7.6224 7.6224 8.1375 8.1375 8.1375 8.1375 8.6708 8.6708 8.6708 8.6708 8.8861 8.8861 8.8861 8.8861 9.3674 9.3674 9.3674 9.3674 10.8965 10.8965 10.8965 10.8965 11.4877 11.4877 11.4877 11.4877 k = 0.0000 0.3682 0.1189 ( 4538 PWs) bands (ev): -3.1240 -3.1240 -3.1240 -3.1240 -1.6845 -1.6845 -1.6845 -1.6845 3.5962 3.5962 3.5962 3.5962 6.4834 6.4834 6.4834 6.4834 6.6246 6.6246 6.6246 6.6246 7.6703 7.6703 7.6703 7.6703 8.1557 8.1557 8.1557 8.1557 8.6296 8.6296 8.6296 8.6296 8.8845 8.8845 8.8845 8.8845 9.3411 9.3411 9.3411 9.3411 10.8805 10.8805 10.8805 10.8805 11.4766 11.4766 11.4766 11.4766 k = 0.0000 0.3682 0.1308 ( 4538 PWs) bands (ev): -3.1023 -3.1023 -3.1023 -3.1023 -1.7263 -1.7263 -1.7263 -1.7263 3.6637 3.6637 3.6637 3.6637 6.4475 6.4475 6.4475 6.4475 6.6059 6.6059 6.6059 6.6059 7.7181 7.7181 7.7181 7.7181 8.1747 8.1747 8.1747 8.1747 8.5893 8.5893 8.5893 8.5893 8.8826 8.8826 8.8826 8.8826 9.3130 9.3130 9.3130 9.3130 10.8586 10.8586 10.8586 10.8586 11.4647 11.4647 11.4647 11.4647 k = 0.0000 0.3682 0.1427 ( 4536 PWs) bands (ev): -3.0787 -3.0787 -3.0787 -3.0787 -1.7703 -1.7703 -1.7703 -1.7703 3.7353 3.7353 3.7353 3.7353 6.4032 6.4032 6.4032 6.4032 6.5939 6.5939 6.5939 6.5939 7.7650 7.7650 7.7650 7.7650 8.1937 8.1937 8.1937 8.1937 8.5515 8.5515 8.5515 8.5515 8.8802 8.8802 8.8802 8.8802 9.2833 9.2833 9.2833 9.2833 10.8306 10.8306 10.8306 10.8306 11.4527 11.4527 11.4527 11.4527 k = 0.0000 0.3682 0.1546 ( 4544 PWs) bands (ev): -3.0533 -3.0533 -3.0533 -3.0533 -1.8160 -1.8160 -1.8160 -1.8160 3.8102 3.8102 3.8102 3.8102 6.3529 6.3529 6.3529 6.3529 6.5860 6.5860 6.5860 6.5860 7.8105 7.8105 7.8105 7.8105 8.2114 8.2114 8.2114 8.2114 8.5186 8.5186 8.5186 8.5186 8.8772 8.8772 8.8772 8.8772 9.2525 9.2525 9.2525 9.2525 10.7968 10.7968 10.7968 10.7968 11.4410 11.4410 11.4410 11.4410 k = 0.0000 0.3682 0.1665 ( 4536 PWs) bands (ev): -3.0262 -3.0262 -3.0262 -3.0262 -1.8631 -1.8631 -1.8631 -1.8631 3.8879 3.8879 3.8879 3.8879 6.2986 6.2986 6.2986 6.2986 6.5806 6.5806 6.5806 6.5806 7.8538 7.8538 7.8538 7.8538 8.2263 8.2263 8.2263 8.2263 8.4933 8.4933 8.4933 8.4933 8.8735 8.8735 8.8735 8.8735 9.2208 9.2208 9.2208 9.2208 10.7577 10.7577 10.7577 10.7577 11.4300 11.4300 11.4300 11.4300 k = 0.0000 0.3682 0.1784 ( 4538 PWs) bands (ev): -2.9975 -2.9975 -2.9975 -2.9975 -1.9112 -1.9112 -1.9112 -1.9112 3.9677 3.9677 3.9677 3.9677 6.2413 6.2413 6.2413 6.2413 6.5765 6.5765 6.5765 6.5765 7.8937 7.8937 7.8937 7.8937 8.2367 8.2367 8.2367 8.2367 8.4783 8.4783 8.4783 8.4783 8.8690 8.8690 8.8690 8.8690 9.1886 9.1886 9.1886 9.1886 10.7144 10.7144 10.7144 10.7144 11.4200 11.4200 11.4200 11.4200 k = 0.0000 0.3682 0.1903 ( 4542 PWs) bands (ev): -2.9673 -2.9673 -2.9673 -2.9673 -1.9599 -1.9599 -1.9599 -1.9599 4.0488 4.0488 4.0488 4.0488 6.1818 6.1818 6.1818 6.1818 6.5735 6.5735 6.5735 6.5735 7.9287 7.9287 7.9287 7.9287 8.2423 8.2423 8.2423 8.2423 8.4755 8.4755 8.4755 8.4755 8.8634 8.8634 8.8634 8.8634 9.1565 9.1565 9.1565 9.1565 10.6679 10.6679 10.6679 10.6679 11.4111 11.4111 11.4111 11.4111 k = 0.0000 0.3682 0.2022 ( 4542 PWs) bands (ev): -2.9358 -2.9358 -2.9358 -2.9358 -2.0089 -2.0089 -2.0089 -2.0089 4.1306 4.1306 4.1306 4.1306 6.1206 6.1206 6.1206 6.1206 6.5710 6.5710 6.5710 6.5710 7.9569 7.9569 7.9569 7.9569 8.2456 8.2456 8.2456 8.2456 8.4841 8.4841 8.4841 8.4841 8.8566 8.8566 8.8566 8.8566 9.1250 9.1250 9.1250 9.1250 10.6196 10.6196 10.6196 10.6196 11.4033 11.4033 11.4033 11.4033 k = 0.0000 0.3682 0.2140 ( 4548 PWs) bands (ev): -2.9032 -2.9032 -2.9032 -2.9032 -2.0576 -2.0576 -2.0576 -2.0576 4.2119 4.2119 4.2119 4.2119 6.0585 6.0585 6.0585 6.0585 6.5690 6.5690 6.5690 6.5690 7.9763 7.9763 7.9763 7.9763 8.2510 8.2510 8.2510 8.2510 8.5011 8.5011 8.5011 8.5011 8.8483 8.8483 8.8483 8.8483 9.0945 9.0945 9.0945 9.0945 10.5710 10.5710 10.5710 10.5710 11.3966 11.3966 11.3966 11.3966 k = 0.0000 0.3682 0.2259 ( 4552 PWs) bands (ev): -2.8698 -2.8698 -2.8698 -2.8698 -2.1057 -2.1057 -2.1057 -2.1057 4.2917 4.2917 4.2917 4.2917 5.9964 5.9964 5.9964 5.9964 6.5673 6.5673 6.5673 6.5673 7.9864 7.9864 7.9864 7.9864 8.2619 8.2619 8.2619 8.2619 8.5233 8.5233 8.5233 8.5233 8.8386 8.8386 8.8386 8.8386 9.0658 9.0658 9.0658 9.0658 10.5234 10.5234 10.5234 10.5234 11.3909 11.3909 11.3909 11.3909 k = 0.0000 0.3682 0.2378 ( 4558 PWs) bands (ev): -2.8361 -2.8361 -2.8361 -2.8361 -2.1524 -2.1524 -2.1524 -2.1524 4.3686 4.3686 4.3686 4.3686 5.9354 5.9354 5.9354 5.9354 6.5660 6.5660 6.5660 6.5660 7.9881 7.9881 7.9881 7.9881 8.2790 8.2790 8.2790 8.2790 8.5474 8.5474 8.5474 8.5474 8.8277 8.8277 8.8277 8.8277 9.0395 9.0395 9.0395 9.0395 10.4784 10.4784 10.4784 10.4784 11.3861 11.3861 11.3861 11.3861 k = 0.0000 0.3682 0.2497 ( 4554 PWs) bands (ev): -2.8027 -2.8027 -2.8027 -2.8027 -2.1971 -2.1971 -2.1971 -2.1971 4.4409 4.4409 4.4409 4.4409 5.8769 5.8769 5.8769 5.8769 6.5649 6.5649 6.5649 6.5649 7.9843 7.9843 7.9843 7.9843 8.3006 8.3006 8.3006 8.3006 8.5711 8.5711 8.5711 8.5711 8.8162 8.8162 8.8162 8.8162 9.0160 9.0160 9.0160 9.0160 10.4373 10.4373 10.4373 10.4373 11.3822 11.3822 11.3822 11.3822 k = 0.0000 0.3682 0.2616 ( 4550 PWs) bands (ev): -2.7706 -2.7706 -2.7706 -2.7706 -2.2386 -2.2386 -2.2386 -2.2386 4.5065 4.5065 4.5065 4.5065 5.8229 5.8229 5.8229 5.8229 6.5640 6.5640 6.5640 6.5640 7.9779 7.9779 7.9779 7.9779 8.3241 8.3241 8.3241 8.3241 8.5919 8.5919 8.5919 8.5919 8.8053 8.8053 8.8053 8.8053 8.9957 8.9957 8.9957 8.9957 10.4014 10.4014 10.4014 10.4014 11.3791 11.3791 11.3791 11.3791 k = 0.0000 0.3682 0.2735 ( 4562 PWs) bands (ev): -2.7412 -2.7412 -2.7412 -2.7412 -2.2754 -2.2754 -2.2754 -2.2754 4.5625 4.5625 4.5625 4.5625 5.7759 5.7759 5.7759 5.7759 6.5633 6.5633 6.5633 6.5633 7.9710 7.9710 7.9710 7.9710 8.3466 8.3466 8.3466 8.3466 8.6079 8.6079 8.6079 8.6079 8.7963 8.7963 8.7963 8.7963 8.9790 8.9790 8.9790 8.9790 10.3719 10.3719 10.3719 10.3719 11.3767 11.3767 11.3767 11.3767 k = 0.0000 0.3682 0.2854 ( 4548 PWs) bands (ev): -2.7167 -2.7167 -2.7167 -2.7167 -2.3052 -2.3052 -2.3052 -2.3052 4.6061 4.6061 4.6061 4.6061 5.7390 5.7390 5.7390 5.7390 6.5628 6.5628 6.5628 6.5628 7.9652 7.9652 7.9652 7.9652 8.3655 8.3655 8.3655 8.3655 8.6182 8.6182 8.6182 8.6182 8.7905 8.7905 8.7905 8.7905 8.9663 8.9663 8.9663 8.9663 10.3501 10.3501 10.3501 10.3501 11.3751 11.3751 11.3751 11.3751 k = 0.0000 0.3682 0.2973 ( 4548 PWs) bands (ev): -2.7000 -2.7000 -2.7000 -2.7000 -2.3251 -2.3251 -2.3251 -2.3251 4.6339 4.6339 4.6339 4.6339 5.7152 5.7152 5.7152 5.7152 6.5626 6.5626 6.5626 6.5626 7.9614 7.9614 7.9614 7.9614 8.3782 8.3782 8.3782 8.3782 8.6232 8.6232 8.6232 8.6232 8.7877 8.7877 8.7877 8.7877 8.9583 8.9583 8.9583 8.9583 10.3366 10.3366 10.3366 10.3366 11.3741 11.3741 11.3741 11.3741 k = 0.0000 0.3682 0.3092 ( 4548 PWs) bands (ev): -2.6940 -2.6940 -2.6940 -2.6940 -2.3322 -2.3322 -2.3322 -2.3322 4.6434 4.6434 4.6434 4.6434 5.7070 5.7070 5.7070 5.7070 6.5625 6.5625 6.5625 6.5625 7.9601 7.9601 7.9601 7.9601 8.3828 8.3828 8.3828 8.3828 8.6245 8.6245 8.6245 8.6245 8.7870 8.7870 8.7870 8.7870 8.9555 8.9555 8.9555 8.9555 10.3320 10.3320 10.3320 10.3320 11.3738 11.3738 11.3738 11.3738 k = 0.5000-0.0000 0.3092 ( 4568 PWs) bands (ev): -2.6640 -2.6640 -2.6633 -2.6633 -0.9671 -0.9671 -0.9605 -0.9605 3.6323 3.6323 3.7159 3.7159 5.1983 5.1983 5.2229 5.2229 6.2201 6.2201 6.2356 6.2356 6.4635 6.4635 6.6368 6.6368 7.4111 7.4111 7.4258 7.4258 7.9023 7.9023 7.9401 7.9401 8.4202 8.4202 8.4503 8.4503 9.0488 9.0488 9.0671 9.0671 9.9079 9.9079 9.9526 9.9526 11.1012 11.1012 11.1401 11.1401 k = 0.5000-0.0000 0.2973 ( 4564 PWs) bands (ev): -2.6646 -2.6646 -2.6639 -2.6639 -0.9660 -0.9660 -0.9595 -0.9595 3.6333 3.6333 3.7168 3.7168 5.1971 5.1971 5.2222 5.2222 6.2163 6.2163 6.2357 6.2357 6.4693 6.4693 6.6390 6.6390 7.4002 7.4002 7.4145 7.4145 7.9046 7.9046 7.9420 7.9420 8.4261 8.4261 8.4563 8.4563 9.0488 9.0488 9.0671 9.0671 9.9094 9.9094 9.9540 9.9540 11.1012 11.1012 11.1401 11.1401 k = 0.5000-0.0000 0.2854 ( 4564 PWs) bands (ev): -2.6665 -2.6665 -2.6658 -2.6658 -0.9628 -0.9628 -0.9563 -0.9563 3.6365 3.6365 3.7196 3.7196 5.1934 5.1934 5.2200 5.2200 6.2059 6.2059 6.2360 6.2360 6.4855 6.4855 6.6454 6.6454 7.3686 7.3686 7.3821 7.3821 7.9109 7.9109 7.9469 7.9469 8.4432 8.4432 8.4737 8.4737 9.0488 9.0488 9.0671 9.0671 9.9142 9.9142 9.9585 9.9585 11.1010 11.1010 11.1400 11.1400 k = 0.5000-0.0000 0.2735 ( 4560 PWs) bands (ev): -2.6695 -2.6695 -2.6688 -2.6688 -0.9575 -0.9575 -0.9511 -0.9511 3.6418 3.6418 3.7242 3.7242 5.1872 5.1872 5.2165 5.2165 6.1911 6.1911 6.2365 6.2365 6.5098 6.5098 6.6557 6.6557 7.3197 7.3197 7.3323 7.3323 7.9199 7.9199 7.9541 7.9541 8.4693 8.4693 8.5003 8.5003 9.0487 9.0487 9.0672 9.0672 9.9221 9.9221 9.9657 9.9657 11.1007 11.1007 11.1398 11.1398 k = 0.5000-0.0000 0.2616 ( 4566 PWs) bands (ev): -2.6736 -2.6736 -2.6729 -2.6729 -0.9503 -0.9503 -0.9440 -0.9440 3.6492 3.6492 3.7307 3.7307 5.1789 5.1789 5.2116 5.2116 6.1740 6.1740 6.2373 6.2373 6.5395 6.5395 6.6690 6.6690 7.2577 7.2577 7.2696 7.2696 7.9305 7.9305 7.9625 7.9625 8.5019 8.5019 8.5334 8.5334 9.0487 9.0487 9.0672 9.0672 9.9329 9.9329 9.9757 9.9757 11.1002 11.1002 11.1394 11.1394 k = 0.5000-0.0000 0.2497 ( 4562 PWs) bands (ev): -2.6788 -2.6788 -2.6781 -2.6781 -0.9413 -0.9413 -0.9350 -0.9350 3.6588 3.6588 3.7391 3.7391 5.1686 5.1686 5.2055 5.2055 6.1560 6.1560 6.2382 6.2382 6.5724 6.5724 6.6844 6.6844 7.1867 7.1867 7.1984 7.1984 7.9420 7.9420 7.9718 7.9718 8.5384 8.5384 8.5705 8.5705 9.0485 9.0485 9.0672 9.0672 9.9467 9.9467 9.9883 9.9883 11.0997 11.0997 11.1390 11.1390 k = 0.5000-0.0000 0.2378 ( 4566 PWs) bands (ev): -2.6849 -2.6849 -2.6842 -2.6842 -0.9305 -0.9305 -0.9243 -0.9243 3.6706 3.6706 3.7494 3.7494 5.1565 5.1565 5.1981 5.1981 6.1377 6.1377 6.2391 6.2391 6.6066 6.6066 6.6996 6.6996 7.1107 7.1107 7.1232 7.1232 7.9543 7.9543 7.9816 7.9816 8.5765 8.5765 8.6092 8.6092 9.0484 9.0484 9.0671 9.0671 9.9630 9.9630 10.0033 10.0033 11.0990 11.0990 11.1384 11.1384 k = 0.5000-0.0000 0.2259 ( 4566 PWs) bands (ev): -2.6918 -2.6918 -2.6912 -2.6912 -0.9183 -0.9183 -0.9122 -0.9122 3.6846 3.6846 3.7617 3.7617 5.1428 5.1428 5.1897 5.1897 6.1190 6.1190 6.2398 6.2398 6.6394 6.6394 6.7108 6.7108 7.0341 7.0341 7.0501 7.0501 7.9672 7.9672 7.9920 7.9920 8.6145 8.6145 8.6477 8.6477 9.0482 9.0482 9.0671 9.0671 9.9818 9.9818 10.0205 10.0205 11.0981 11.0981 11.1378 11.1378 k = 0.5000-0.0000 0.2140 ( 4570 PWs) bands (ev): -2.6994 -2.6994 -2.6988 -2.6988 -0.9047 -0.9047 -0.8988 -0.8988 3.7009 3.7009 3.7759 3.7759 5.1280 5.1280 5.1803 5.1803 6.0997 6.0997 6.2397 6.2397 6.6663 6.6663 6.7105 6.7105 6.9632 6.9632 6.9882 6.9882 7.9810 7.9810 8.0031 8.0031 8.6513 8.6513 8.6848 8.6848 9.0479 9.0479 9.0669 9.0669 10.0028 10.0028 10.0397 10.0397 11.0971 11.0971 11.1369 11.1369 k = 0.5000-0.0000 0.2022 ( 4578 PWs) bands (ev): -2.7076 -2.7076 -2.7070 -2.7070 -0.8901 -0.8901 -0.8843 -0.8843 3.7193 3.7193 3.7921 3.7921 5.1122 5.1122 5.1701 5.1701 6.0789 6.0789 6.2379 6.2379 6.6774 6.6774 6.6876 6.6876 6.9100 6.9100 6.9504 6.9504 7.9955 7.9955 8.0148 8.0148 8.6860 8.6860 8.7196 8.7196 9.0476 9.0476 9.0668 9.0668 10.0256 10.0256 10.0606 10.0606 11.0959 11.0959 11.1359 11.1359 k = 0.5000-0.0000 0.1903 ( 4574 PWs) bands (ev): -2.7161 -2.7161 -2.7156 -2.7156 -0.8746 -0.8746 -0.8690 -0.8690 3.7400 3.7400 3.8103 3.8103 5.0958 5.0958 5.1594 5.1594 6.0552 6.0552 6.2328 6.2328 6.6389 6.6389 6.6590 6.6590 6.8898 6.8898 6.9420 6.9420 8.0109 8.0109 8.0273 8.0273 8.7182 8.7182 8.7517 8.7517 9.0473 9.0473 9.0665 9.0665 10.0502 10.0502 10.0831 10.0831 11.0945 11.0945 11.1348 11.1348 k = 0.5000-0.0000 0.1784 ( 4576 PWs) bands (ev): -2.7250 -2.7250 -2.7244 -2.7244 -0.8585 -0.8585 -0.8531 -0.8531 3.7630 3.7630 3.8305 3.8305 5.0789 5.0789 5.1482 5.1482 6.0271 6.0271 6.2218 6.2218 6.5766 6.5766 6.6146 6.6146 6.9015 6.9015 6.9540 6.9540 8.0272 8.0272 8.0404 8.0404 8.7475 8.7475 8.7808 8.7808 9.0469 9.0469 9.0662 9.0662 10.0761 10.0761 10.1069 10.1069 11.0929 11.0929 11.1333 11.1333 k = 0.5000-0.0000 0.1665 ( 4568 PWs) bands (ev): -2.7339 -2.7339 -2.7334 -2.7334 -0.8420 -0.8420 -0.8368 -0.8368 3.7881 3.7881 3.8526 3.8526 5.0619 5.0619 5.1368 5.1368 5.9925 5.9925 6.2004 6.2004 6.5150 6.5150 6.5619 6.5619 6.9294 6.9294 6.9765 6.9765 8.0441 8.0441 8.0543 8.0543 8.7741 8.7741 8.8069 8.8069 9.0464 9.0464 9.0658 9.0658 10.1033 10.1033 10.1319 10.1319 11.0909 11.0909 11.1317 11.1317 k = 0.5000-0.0000 0.1546 ( 4576 PWs) bands (ev): -2.7429 -2.7429 -2.7424 -2.7424 -0.8254 -0.8254 -0.8205 -0.8205 3.8154 3.8154 3.8766 3.8766 5.0450 5.0450 5.1254 5.1254 5.9499 5.9499 6.1636 6.1636 6.4649 6.4649 6.5126 6.5126 6.9638 6.9638 7.0039 7.0039 8.0616 8.0616 8.0687 8.0687 8.7979 8.7979 8.8298 8.8298 9.0459 9.0459 9.0652 9.0652 10.1314 10.1314 10.1579 10.1579 11.0884 11.0884 11.1296 11.1296 k = 0.5000-0.0000 0.1427 ( 4576 PWs) bands (ev): -2.7517 -2.7517 -2.7512 -2.7512 -0.8089 -0.8089 -0.8043 -0.8043 3.8446 3.8446 3.9022 3.9022 5.0284 5.0284 5.1142 5.1142 5.8989 5.8989 6.1092 6.1092 6.4313 6.4313 6.4715 6.4715 7.0002 7.0002 7.0337 7.0337 8.0795 8.0795 8.0837 8.0837 8.8190 8.8190 8.8499 8.8499 9.0454 9.0454 9.0645 9.0645 10.1604 10.1604 10.1848 10.1848 11.0854 11.0854 11.1270 11.1270 k = 0.5000-0.0000 0.1308 ( 4582 PWs) bands (ev): -2.7602 -2.7602 -2.7598 -2.7598 -0.7927 -0.7927 -0.7884 -0.7884 3.8758 3.8758 3.9295 3.9295 5.0123 5.0123 5.1032 5.1032 5.8400 5.8400 6.0410 6.0410 6.4120 6.4120 6.4401 6.4401 7.0368 7.0368 7.0641 7.0641 8.0976 8.0976 8.0990 8.0990 8.8376 8.8376 8.8673 8.8673 9.0448 9.0448 9.0636 9.0636 10.1903 10.1903 10.2127 10.2127 11.0815 11.0815 11.1238 11.1238 k = 0.5000-0.0000 0.1189 ( 4584 PWs) bands (ev): -2.7684 -2.7684 -2.7680 -2.7680 -0.7772 -0.7772 -0.7731 -0.7731 3.9085 3.9085 3.9581 3.9581 4.9970 4.9970 5.0927 5.0927 5.7752 5.7752 5.9649 5.9649 6.4023 6.4023 6.4178 6.4178 7.0724 7.0724 7.0944 7.0944 8.1146 8.1146 8.1156 8.1156 8.8540 8.8540 8.8821 8.8821 9.0442 9.0442 9.0625 9.0625 10.2210 10.2210 10.2416 10.2416 11.0762 11.0762 11.1192 11.1192 k = 0.5000-0.0000 0.1070 ( 4576 PWs) bands (ev): -2.7761 -2.7761 -2.7758 -2.7758 -0.7623 -0.7623 -0.7586 -0.7586 3.9426 3.9426 3.9877 3.9877 4.9826 4.9826 5.0825 5.0825 5.7072 5.7072 5.8857 5.8857 6.3980 6.3980 6.4029 6.4029 7.1063 7.1063 7.1236 7.1236 8.1301 8.1301 8.1333 8.1333 8.8683 8.8683 8.8947 8.8947 9.0436 9.0436 9.0613 9.0613 10.2525 10.2525 10.2715 10.2715 11.0685 11.0685 11.1121 11.1121 k = 0.5000-0.0000 0.0951 ( 4580 PWs) bands (ev): -2.7833 -2.7833 -2.7830 -2.7830 -0.7485 -0.7485 -0.7451 -0.7451 3.9774 3.9774 4.0178 4.0178 4.9695 4.9695 5.0726 5.0726 5.6386 5.6386 5.8068 5.8068 6.3938 6.3938 6.3967 6.3967 7.1379 7.1379 7.1512 7.1512 8.1453 8.1453 8.1503 8.1503 8.8808 8.8808 8.9051 8.9051 9.0431 9.0431 9.0598 9.0598 10.2849 10.2849 10.3024 10.3024 11.0566 11.0566 11.0990 11.0990 k = 0.5000-0.0000 0.0832 ( 4578 PWs) bands (ev): -2.7898 -2.7898 -2.7895 -2.7895 -0.7358 -0.7358 -0.7328 -0.7328 4.0125 4.0125 4.0480 4.0480 4.9579 4.9579 5.0628 5.0628 5.5723 5.5723 5.7304 5.7304 6.3889 6.3889 6.3969 6.3969 7.1667 7.1667 7.1768 7.1768 8.1600 8.1600 8.1662 8.1662 8.8916 8.8916 8.9137 8.9137 9.0426 9.0426 9.0582 9.0582 10.3181 10.3181 10.3344 10.3344 11.0374 11.0374 11.0721 11.0721 k = 0.5000-0.0000 0.0713 ( 4578 PWs) bands (ev): -2.7956 -2.7956 -2.7953 -2.7953 -0.7244 -0.7244 -0.7218 -0.7218 4.0471 4.0471 4.0774 4.0774 4.9482 4.9482 5.0525 5.0525 5.5109 5.5109 5.6579 5.6579 6.3869 6.3869 6.3977 6.3977 7.1925 7.1925 7.1999 7.1999 8.1739 8.1739 8.1807 8.1807 8.9008 8.9008 8.9204 8.9204 9.0423 9.0423 9.0564 9.0564 10.3522 10.3522 10.3674 10.3674 11.0072 11.0072 11.0261 11.0261 k = 0.5000-0.0000 0.0595 ( 4558 PWs) bands (ev): -2.8006 -2.8006 -2.8004 -2.8004 -0.7145 -0.7145 -0.7123 -0.7123 4.0801 4.0801 4.1051 4.1051 4.9410 4.9410 5.0412 5.0412 5.4571 5.4571 5.5909 5.5909 6.3870 6.3870 6.3986 6.3986 7.2149 7.2149 7.2201 7.2201 8.1866 8.1866 8.1935 8.1935 8.9088 8.9088 8.9256 8.9256 9.0422 9.0422 9.0546 9.0546 10.3872 10.3872 10.4013 10.4013 10.9656 10.9656 10.9700 10.9700 k = 0.5000-0.0000 0.0476 ( 4556 PWs) bands (ev): -2.8047 -2.8047 -2.8045 -2.8045 -0.7061 -0.7061 -0.7044 -0.7044 4.1104 4.1104 4.1301 4.1301 4.9368 4.9368 5.0280 5.0280 5.4137 5.4137 5.5303 5.5303 6.3883 6.3883 6.3993 6.3993 7.2335 7.2335 7.2371 7.2371 8.1978 8.1978 8.2042 8.2042 8.9155 8.9155 8.9293 8.9293 9.0423 9.0423 9.0526 9.0526 10.4225 10.4225 10.4356 10.4356 10.9132 10.9132 10.9172 10.9172 k = 0.5000-0.0000 0.0357 ( 4560 PWs) bands (ev): -2.8080 -2.8080 -2.8079 -2.8079 -0.6995 -0.6995 -0.6982 -0.6982 4.1366 4.1366 4.1511 4.1511 4.9363 4.9363 5.0126 5.0126 5.3829 5.3829 5.4774 5.4774 6.3903 6.3903 6.3995 6.3995 7.2483 7.2483 7.2506 7.2506 8.2072 8.2072 8.2125 8.2125 8.9211 8.9211 8.9316 8.9316 9.0426 9.0426 9.0506 9.0506 10.4573 10.4573 10.4690 10.4690 10.8605 10.8605 10.8682 10.8682 k = 0.5000-0.0000 0.0238 ( 4560 PWs) bands (ev): -2.8103 -2.8103 -2.8103 -2.8103 -0.6946 -0.6946 -0.6937 -0.6937 4.1573 4.1573 4.1668 4.1668 4.9402 4.9402 4.9954 4.9954 5.3663 5.3663 5.4332 5.4332 6.3926 6.3926 6.3992 6.3992 7.2590 7.2590 7.2604 7.2604 8.2145 8.2145 8.2183 8.2183 8.9255 8.9255 8.9327 8.9327 9.0432 9.0432 9.0487 9.0487 10.4896 10.4896 10.4992 10.4992 10.8160 10.8160 10.8240 10.8240 k = 0.5000-0.0000 0.0119 ( 4552 PWs) bands (ev): -2.8118 -2.8118 -2.8117 -2.8117 -0.6916 -0.6916 -0.6911 -0.6911 4.1712 4.1712 4.1759 4.1759 4.9486 4.9486 4.9777 4.9777 5.3641 5.3641 5.3987 5.3987 6.3949 6.3949 6.3983 6.3983 7.2656 7.2656 7.2662 7.2662 8.2194 8.2194 8.2214 8.2214 8.9290 8.9290 8.9326 8.9326 9.0442 9.0442 9.0470 9.0470 10.5153 10.5153 10.5211 10.5211 10.7854 10.7854 10.7906 10.7906 k = 0.5000-0.0000-0.0000 ( 4560 PWs) bands (ev): -2.8122 -2.8122 -2.8122 -2.8122 -0.6904 -0.6904 -0.6904 -0.6904 4.1775 4.1775 4.1775 4.1775 4.9615 4.9615 4.9615 4.9615 5.3753 5.3753 5.3753 5.3753 6.3968 6.3968 6.3968 6.3968 7.2680 7.2680 7.2680 7.2680 8.2217 8.2217 8.2217 8.2217 8.9313 8.9313 8.9313 8.9313 9.0455 9.0455 9.0455 9.0455 10.5275 10.5275 10.5275 10.5275 10.7759 10.7759 10.7759 10.7759 k = 0.5000 0.3682-0.0000 ( 4592 PWs) bands (ev): -2.2820 -2.2820 -2.2794 -2.2794 -1.4263 -1.4263 -1.4220 -1.4220 4.3149 4.3149 4.4010 4.4010 4.4347 4.4347 4.6068 4.6068 5.2901 5.2901 5.5474 5.5474 5.8454 5.8454 6.2095 6.2095 7.0318 7.0318 7.1189 7.1189 8.6949 8.6949 8.7251 8.7251 9.0120 9.0120 9.0479 9.0479 9.0997 9.0997 9.1100 9.1100 10.3156 10.3156 10.3527 10.3527 11.0377 11.0377 11.2836 11.2836 k = 0.5000 0.3682 0.0119 ( 4592 PWs) bands (ev): -2.2816 -2.2816 -2.2790 -2.2790 -1.4264 -1.4264 -1.4221 -1.4221 4.3113 4.3113 4.3924 4.3924 4.4279 4.4279 4.5944 4.5944 5.3070 5.3070 5.5590 5.5590 5.8512 5.8512 6.2134 6.2134 7.0325 7.0325 7.1195 7.1195 8.6953 8.6953 8.7253 8.7253 9.0120 9.0120 9.0474 9.0474 9.0996 9.0996 9.1098 9.1098 10.3164 10.3164 10.3533 10.3533 11.0370 11.0370 11.2826 11.2826 k = 0.5000 0.3682 0.0238 ( 4592 PWs) bands (ev): -2.2804 -2.2804 -2.2778 -2.2778 -1.4267 -1.4267 -1.4225 -1.4225 4.3006 4.3006 4.3676 4.3676 4.4074 4.4074 4.5611 4.5611 5.3542 5.3542 5.5928 5.5928 5.8684 5.8684 6.2252 6.2252 7.0343 7.0343 7.1211 7.1211 8.6964 8.6964 8.7259 8.7259 9.0120 9.0120 9.0459 9.0459 9.0994 9.0994 9.1093 9.1093 10.3186 10.3186 10.3550 10.3550 11.0347 11.0347 11.2796 11.2796 k = 0.5000 0.3682 0.0357 ( 4596 PWs) bands (ev): -2.2785 -2.2785 -2.2759 -2.2759 -1.4272 -1.4272 -1.4230 -1.4230 4.2827 4.2827 4.3299 4.3299 4.3734 4.3734 4.5151 4.5151 5.4240 5.4240 5.6460 5.6460 5.8960 5.8960 6.2443 6.2443 7.0375 7.0375 7.1237 7.1237 8.6981 8.6981 8.7269 8.7269 9.0120 9.0120 9.0435 9.0435 9.0991 9.0991 9.1085 9.1085 10.3224 10.3224 10.3578 10.3578 11.0309 11.0309 11.2745 11.2745 k = 0.5000 0.3682 0.0476 ( 4592 PWs) bands (ev): -2.2758 -2.2758 -2.2733 -2.2733 -1.4279 -1.4279 -1.4238 -1.4238 4.2559 4.2559 4.2850 4.2850 4.3269 4.3269 4.4641 4.4641 5.5092 5.5092 5.7151 5.7151 5.9328 5.9328 6.2699 6.2699 7.0421 7.0421 7.1275 7.1275 8.7005 8.7005 8.7281 8.7281 9.0120 9.0120 9.0402 9.0402 9.0987 9.0987 9.1074 9.1074 10.3278 10.3278 10.3619 10.3619 11.0256 11.0256 11.2674 11.2674 k = 0.5000 0.3682 0.0595 ( 4584 PWs) bands (ev): -2.2725 -2.2725 -2.2699 -2.2699 -1.4288 -1.4288 -1.4247 -1.4247 4.2128 4.2128 4.2442 4.2442 4.2700 4.2700 4.4119 4.4119 5.6047 5.6047 5.7966 5.7966 5.9773 5.9773 6.3013 6.3013 7.0480 7.0480 7.1324 7.1324 8.7034 8.7034 8.7296 8.7296 9.0121 9.0121 9.0360 9.0360 9.0983 9.0983 9.1060 9.1060 10.3350 10.3350 10.3673 10.3673 11.0187 11.0187 11.2582 11.2582 k = 0.5000 0.3682 0.0713 ( 4596 PWs) bands (ev): -2.2684 -2.2684 -2.2659 -2.2659 -1.4299 -1.4299 -1.4259 -1.4259 4.1558 4.1558 4.2063 4.2063 4.2089 4.2089 4.3596 4.3596 5.7070 5.7070 5.8878 5.8878 6.0282 6.0282 6.3373 6.3373 7.0554 7.0554 7.1384 7.1384 8.7066 8.7066 8.7310 8.7310 9.0122 9.0122 9.0309 9.0309 9.0980 9.0980 9.1045 9.1045 10.3439 10.3439 10.3742 10.3742 11.0102 11.0102 11.2467 11.2467 k = 0.5000 0.3682 0.0832 ( 4584 PWs) bands (ev): -2.2637 -2.2637 -2.2613 -2.2613 -1.4312 -1.4312 -1.4273 -1.4273 4.0940 4.0940 4.1391 4.1391 4.1727 4.1727 4.3074 4.3074 5.8136 5.8136 5.9863 5.9863 6.0842 6.0842 6.3769 6.3769 7.0644 7.0644 7.1455 7.1455 8.7099 8.7099 8.7323 8.7323 9.0126 9.0126 9.0253 9.0253 9.0977 9.0977 9.1029 9.1029 10.3550 10.3550 10.3827 10.3827 11.0001 11.0001 11.2330 11.2330 k = 0.5000 0.3682 0.0951 ( 4584 PWs) bands (ev): -2.2585 -2.2585 -2.2561 -2.2561 -1.4327 -1.4327 -1.4289 -1.4289 4.0310 4.0310 4.0709 4.0709 4.1347 4.1347 4.2550 4.2550 5.9225 5.9225 6.0903 6.0903 6.1448 6.1448 6.4189 6.4189 7.0752 7.0752 7.1537 7.1537 8.7130 8.7130 8.7332 8.7332 9.0133 9.0133 9.0193 9.0193 9.0974 9.0974 9.1012 9.1012 10.3683 10.3683 10.3931 10.3931 10.9884 10.9884 11.2170 11.2170 k = 0.5000 0.3682 0.1070 ( 4584 PWs) bands (ev): -2.2527 -2.2527 -2.2504 -2.2504 -1.4343 -1.4343 -1.4307 -1.4307 3.9681 3.9681 4.0034 4.0034 4.0952 4.0952 4.2027 4.2027 6.0312 6.0312 6.1981 6.1981 6.2100 6.2100 6.4625 6.4625 7.0878 7.0878 7.1630 7.1630 8.7154 8.7154 8.7335 8.7335 9.0131 9.0131 9.0143 9.0143 9.0973 9.0973 9.0995 9.0995 10.3840 10.3840 10.4055 10.4055 10.9751 10.9751 11.1987 11.1987 k = 0.5000 0.3682 0.1189 ( 4580 PWs) bands (ev): -2.2464 -2.2464 -2.2442 -2.2442 -1.4362 -1.4362 -1.4327 -1.4327 3.9066 3.9066 3.9375 3.9375 4.0548 4.0548 4.1509 4.1509 6.1357 6.1357 6.2818 6.2818 6.3081 6.3081 6.5067 6.5067 7.1025 7.1025 7.1736 7.1736 8.7167 8.7167 8.7327 8.7327 9.0073 9.0073 9.0158 9.0158 9.0973 9.0973 9.0980 9.0980 10.4023 10.4023 10.4201 10.4201 10.9605 10.9605 11.1780 11.1780 k = 0.5000 0.3682 0.1308 ( 4564 PWs) bands (ev): -2.2398 -2.2398 -2.2377 -2.2377 -1.4382 -1.4382 -1.4348 -1.4348 3.8470 3.8470 3.8742 3.8742 4.0142 4.0142 4.1000 4.1000 6.2302 6.2302 6.3644 6.3644 6.4181 6.4181 6.5519 6.5519 7.1197 7.1197 7.1854 7.1854 8.7162 8.7162 8.7306 8.7306 9.0023 9.0023 9.0179 9.0179 9.0967 9.0967 9.0974 9.0974 10.4235 10.4235 10.4373 10.4373 10.9445 10.9445 11.1552 11.1552 k = 0.5000 0.3682 0.1427 ( 4564 PWs) bands (ev): -2.2329 -2.2329 -2.2309 -2.2309 -1.4403 -1.4403 -1.4372 -1.4372 3.7900 3.7900 3.8138 3.8138 3.9738 3.9738 4.0503 4.0503 6.3103 6.3103 6.4605 6.4605 6.5219 6.5219 6.6020 6.6020 7.1395 7.1395 7.1986 7.1986 8.7130 8.7130 8.7266 8.7266 8.9985 8.9985 9.0206 9.0206 9.0956 9.0956 9.0975 9.0975 10.4477 10.4477 10.4572 10.4572 10.9275 10.9275 11.1302 11.1302 k = 0.5000 0.3682 0.1546 ( 4560 PWs) bands (ev): -2.2259 -2.2259 -2.2239 -2.2239 -1.4426 -1.4426 -1.4396 -1.4396 3.7359 3.7359 3.7567 3.7567 3.9343 3.9343 4.0024 4.0024 6.3779 6.3779 6.5667 6.5667 6.5984 6.5984 6.6760 6.6760 7.1628 7.1628 7.2132 7.2132 8.7066 8.7066 8.7205 8.7205 8.9964 8.9964 9.0239 9.0239 9.0950 9.0950 9.0980 9.0980 10.4749 10.4749 10.4799 10.4799 10.9099 10.9099 11.1035 11.1035 k = 0.5000 0.3682 0.1665 ( 4560 PWs) bands (ev): -2.2187 -2.2187 -2.2168 -2.2168 -1.4449 -1.4449 -1.4421 -1.4421 3.6851 3.6851 3.7033 3.7033 3.8962 3.8962 3.9566 3.9566 6.4371 6.4371 6.6439 6.6439 6.6774 6.6774 6.7750 6.7750 7.1903 7.1903 7.2297 7.2297 8.6962 8.6962 8.7116 8.7116 8.9963 8.9963 9.0278 9.0278 9.0948 9.0948 9.0985 9.0985 10.5049 10.5049 10.5055 10.5055 10.8925 10.8925 11.0755 11.0755 k = 0.5000 0.3682 0.1784 ( 4560 PWs) bands (ev): -2.2115 -2.2115 -2.2098 -2.2098 -1.4473 -1.4473 -1.4447 -1.4447 3.6379 3.6379 3.6536 3.6536 3.8597 3.8597 3.9131 3.9131 6.4902 6.4902 6.6781 6.6781 6.7882 6.7882 6.8762 6.8762 7.2239 7.2239 7.2486 7.2486 8.6813 8.6813 8.6998 8.6998 8.9982 8.9982 9.0321 9.0321 9.0952 9.0952 9.0994 9.0994 10.5340 10.5340 10.5374 10.5374 10.8762 10.8762 11.0468 11.0468 k = 0.5000 0.3682 0.1903 ( 4572 PWs) bands (ev): -2.2044 -2.2044 -2.2028 -2.2028 -1.4497 -1.4497 -1.4474 -1.4474 3.5943 3.5943 3.6080 3.6080 3.8254 3.8254 3.8723 3.8723 6.5382 6.5382 6.7066 6.7066 6.8959 6.8959 6.9698 6.9698 7.2665 7.2665 7.2712 7.2712 8.6616 8.6616 8.6845 8.6845 9.0020 9.0020 9.0365 9.0365 9.0963 9.0963 9.1005 9.1005 10.5649 10.5649 10.5711 10.5711 10.8629 10.8629 11.0184 11.0184 k = 0.5000 0.3682 0.2022 ( 4572 PWs) bands (ev): -2.1975 -2.1975 -2.1961 -2.1961 -1.4521 -1.4521 -1.4500 -1.4500 3.5546 3.5546 3.5664 3.5664 3.7935 3.7935 3.8345 3.8345 6.5816 6.5816 6.7306 6.7306 6.9963 6.9963 7.0493 7.0493 7.3001 7.3001 7.3221 7.3221 8.6373 8.6373 8.6656 8.6656 9.0073 9.0073 9.0407 9.0407 9.0983 9.0983 9.1019 9.1019 10.5976 10.5976 10.6037 10.6037 10.8555 10.8555 10.9921 10.9921 k = 0.5000 0.3682 0.2140 ( 4580 PWs) bands (ev): -2.1910 -2.1910 -2.1897 -2.1897 -1.4545 -1.4545 -1.4525 -1.4525 3.5189 3.5189 3.5290 3.5290 3.7644 3.7644 3.7998 3.7998 6.6205 6.6205 6.7504 6.7504 7.0833 7.0833 7.1111 7.1111 7.3401 7.3401 7.3924 7.3924 8.6083 8.6083 8.6428 8.6428 9.0134 9.0134 9.0444 9.0444 9.1010 9.1010 9.1037 9.1037 10.6301 10.6301 10.6311 10.6311 10.8587 10.8587 10.9702 10.9702 k = 0.5000 0.3682 0.2259 ( 4576 PWs) bands (ev): -2.1849 -2.1849 -2.1838 -2.1838 -1.4567 -1.4567 -1.4550 -1.4550 3.4873 3.4873 3.4958 3.4958 3.7383 3.7383 3.7685 3.7685 6.6550 6.6550 6.7665 6.7665 7.1503 7.1503 7.1567 7.1567 7.3967 7.3967 7.4743 7.4743 8.5751 8.5751 8.6159 8.6159 9.0200 9.0200 9.0474 9.0474 9.1045 9.1045 9.1059 9.1059 10.6490 10.6490 10.6594 10.6594 10.8774 10.8774 10.9567 10.9567 k = 0.5000 0.3682 0.2378 ( 4572 PWs) bands (ev): -2.1794 -2.1794 -2.1784 -2.1784 -1.4587 -1.4587 -1.4572 -1.4572 3.4599 3.4599 3.4670 3.4670 3.7154 3.7154 3.7408 3.7408 6.6854 6.6854 6.7791 6.7791 7.1905 7.1905 7.1958 7.1958 7.4699 7.4699 7.5616 7.5616 8.5383 8.5383 8.5850 8.5850 9.0264 9.0264 9.0497 9.0497 9.1084 9.1084 9.1085 9.1085 10.6561 10.6561 10.6806 10.6806 10.9129 10.9129 10.9567 10.9567 k = 0.5000 0.3682 0.2497 ( 4572 PWs) bands (ev): -2.1745 -2.1745 -2.1736 -2.1736 -1.4605 -1.4605 -1.4593 -1.4593 3.4366 3.4366 3.4424 3.4424 3.6960 3.6960 3.7168 3.7168 6.7117 6.7117 6.7884 6.7884 7.2161 7.2161 7.2254 7.2254 7.5526 7.5526 7.6482 7.6482 8.4988 8.4988 8.5503 8.5503 9.0322 9.0322 9.0511 9.0511 9.1114 9.1114 9.1124 9.1124 10.6557 10.6557 10.6903 10.6903 10.9619 10.9619 10.9743 10.9743 k = 0.5000 0.3682 0.2616 ( 4564 PWs) bands (ev): -2.1703 -2.1703 -2.1696 -2.1696 -1.4620 -1.4620 -1.4611 -1.4611 3.4177 3.4177 3.4222 3.4222 3.6802 3.6802 3.6966 3.6966 6.7342 6.7342 6.7945 6.7945 7.2359 7.2359 7.2451 7.2451 7.6370 7.6370 7.7292 7.7292 8.4585 8.4585 8.5124 8.5124 9.0374 9.0374 9.0519 9.0519 9.1144 9.1144 9.1161 9.1161 10.6522 10.6522 10.6888 10.6888 11.0087 11.0087 11.0192 11.0192 k = 0.5000 0.3682 0.2735 ( 4560 PWs) bands (ev): -2.1670 -2.1670 -2.1664 -2.1664 -1.4633 -1.4633 -1.4625 -1.4625 3.4030 3.4030 3.4064 3.4064 3.6682 3.6682 3.6804 3.6804 6.7530 6.7530 6.7976 6.7976 7.2508 7.2508 7.2583 7.2583 7.7173 7.7173 7.7994 7.7994 8.4205 8.4205 8.4725 8.4725 9.0416 9.0416 9.0522 9.0522 9.1173 9.1173 9.1191 9.1191 10.6486 10.6486 10.6807 10.6807 11.0547 11.0547 11.0793 11.0793 k = 0.5000 0.3682 0.2854 ( 4552 PWs) bands (ev): -2.1645 -2.1645 -2.1641 -2.1641 -1.4641 -1.4641 -1.4636 -1.4636 3.3927 3.3927 3.3949 3.3949 3.6601 3.6601 3.6682 3.6682 6.7683 6.7683 6.7977 6.7977 7.2616 7.2616 7.2667 7.2667 7.7883 7.7883 7.8523 7.8523 8.3898 8.3898 8.4333 8.4333 9.0450 9.0450 9.0519 9.0519 9.1198 9.1198 9.1213 9.1213 10.6468 10.6468 10.6701 10.6701 11.1052 11.1052 11.1347 11.1347 k = 0.5000 0.3682 0.2973 ( 4540 PWs) bands (ev): -2.1629 -2.1629 -2.1628 -2.1628 -1.4646 -1.4646 -1.4643 -1.4643 3.3867 3.3867 3.3878 3.3878 3.6560 3.6560 3.6600 3.6600 6.7803 6.7803 6.7949 6.7949 7.2685 7.2685 7.2710 7.2710 7.8440 7.8440 7.8801 7.8801 8.3736 8.3736 8.3993 8.3993 9.0477 9.0477 9.0510 9.0510 9.1217 9.1217 9.1225 9.1225 10.6480 10.6480 10.6601 10.6601 11.1513 11.1513 11.1730 11.1730 k = 0.5000 0.3682 0.3092 ( 4544 PWs) bands (ev): -2.1624 -2.1624 -2.1624 -2.1624 -1.4647 -1.4647 -1.4647 -1.4647 3.3851 3.3851 3.3851 3.3851 3.6560 3.6560 3.6560 3.6560 6.7891 6.7891 6.7891 6.7891 7.2716 7.2716 7.2716 7.2716 7.8769 7.8769 7.8769 7.8769 8.3772 8.3772 8.3772 8.3772 9.0497 9.0497 9.0497 9.0497 9.1226 9.1226 9.1226 9.1226 10.6525 10.6525 10.6525 10.6525 11.1789 11.1789 11.1789 11.1789 Writing output data file FeTe2.save init_run : 3.99s CPU 13.71s WALL ( 1 calls) electrons : 832.53s CPU 840.93s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.31s CPU 1.63s WALL ( 1 calls) Called by electrons: c_bands : 832.44s CPU 840.65s WALL ( 1 calls) v_of_rho : 0.11s CPU 0.99s WALL ( 1 calls) v_h : 0.01s CPU 0.01s WALL ( 1 calls) v_xc : 0.10s CPU 0.63s WALL ( 1 calls) newd : 0.49s CPU 0.63s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.16s WALL ( 400 calls) cegterg : 783.35s CPU 789.08s WALL ( 878 calls) Called by sum_band: Called by *egterg: h_psi : 394.36s CPU 404.12s WALL ( 15030 calls) s_psi : 61.16s CPU 61.54s WALL ( 15030 calls) g_psi : 0.91s CPU 0.91s WALL ( 13752 calls) cdiaghg : 232.60s CPU 229.79s WALL ( 14152 calls) cegterg:over : 65.81s CPU 61.91s WALL ( 13752 calls) cegterg:upda : 13.17s CPU 17.28s WALL ( 13752 calls) cegterg:last : 12.00s CPU 13.06s WALL ( 2663 calls) Called by h_psi: h_psi:vloc : 282.17s CPU 289.70s WALL ( 15030 calls) h_psi:vnl : 111.85s CPU 113.42s WALL ( 15030 calls) add_vuspsi : 43.20s CPU 48.28s WALL ( 15030 calls) General routines calbec : 68.60s CPU 65.00s WALL ( 15030 calls) fft : 0.54s CPU 1.48s WALL ( 19 calls) ffts : 0.02s CPU 0.08s WALL ( 4 calls) fftw : 268.91s CPU 275.71s WALL ( 1550600 calls) interpolate : 0.05s CPU 0.13s WALL ( 4 calls) davcio : 0.04s CPU 1.18s WALL ( 800 calls) Parallel routines fft_scatter : 184.01s CPU 186.60s WALL ( 1550623 calls) PWSCF : 14m52.27s CPU 16m16.34s WALL This run was terminated on: 19: 3:11 19Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=