Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18:57:37 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Hg2Pt.save/ file Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S renormalized file Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 75 30 9 1827 448 79 Max 76 31 11 1830 463 80 Sum 2709 1085 341 65801 16499 2857 bravais-lattice index = 14 lattice parameter (alat) = 8.8571 a.u. unit-cell volume = 431.8440 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 2 number of electrons = 34.00 number of Kohn-Sham states= 42 kinetic-energy cutoff = 43.0000 Ry charge density cutoff = 433.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.857146 celldm(2)= 1.000000 celldm(3)= 0.621506 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 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 0.621506 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 1.608994 ) PseudoPot. # 1 for Hg read from file: /users/gautes/Pseudo/Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: a7fd98bfb2640362c6e2ed76594f1960 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Pt read from file: /users/gautes/Pseudo/Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5a767c0d250ba2b616d7addddc548ecc Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1277 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Hg 12.00 200.59000 Hg( 1.00) Pt 10.00 195.08400 Pt( 1.00) 16 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 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 = 5 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.0000000 -1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inversion cryst. s( 9) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 9) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(10) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(10) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(12) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(12) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 13 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(13) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(13) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(14) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(14) = ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 15 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(15) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(15) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 16 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(16) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(16) = ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group D_4h(4/mmm) there are 14 classes and 4 irreducible representations the character table: E -E 2C4 -2C4 C2 2C2' 2C2'' i -i 2S4 -2S4 s_h -C2 -2C2' -2C2' -s_h G_6+ 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 2.00 -2.00 1.41 -1.41 0.00 G_7+ 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 2.00 -2.00 -1.41 1.41 0.00 G_6- 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 -2.00 2.00 -1.41 1.41 0.00 G_7- 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 -2.00 2.00 1.41 -1.41 0.00 2s_v 2s_d -2s_v -2s_d G_6+ 0.00 0.00 G_7+ 0.00 0.00 G_6- 0.00 0.00 G_7- 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C4 7 8 90 deg rotation - cart. axis [0,0,-1] -2C4 -7 -8 90 deg rotation - cart. axis [0,0,-1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 2C2'-2C2' 3 -3 4 -4 180 deg rotation - cart. axis [0,1,0] 2C2''-2C2' 5 -5 6 -6 180 deg rotation - cart. axis [1,1,0] i 9 inversion -i -9 inversion E 2S4 15 16 inv. 90 deg rotation - cart. axis [0,0,-1] -2S4 -15 -16 inv. 90 deg rotation - cart. axis [0,0,-1] E s_h -s_h 10 -10 inv. 180 deg rotation - cart. axis [0,0,1] 2s_v-2s_v 11 -11 12 -12 inv. 180 deg rotation - cart. axis [0,1,0] 2s_d-2s_d 13 -13 14 -14 inv. 180 deg rotation - cart. axis [1,1,0] Cartesian axes number of k points= 403 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024814 k( 2) = ( 0.0000000 0.0147059 -0.0000000), wk = 0.0024814 k( 3) = ( 0.0000000 0.0294118 -0.0000000), wk = 0.0024814 k( 4) = ( 0.0000000 0.0441177 -0.0000000), wk = 0.0024814 k( 5) = ( 0.0000000 0.0588235 -0.0000000), wk = 0.0024814 k( 6) = ( 0.0000000 0.0735294 -0.0000000), wk = 0.0024814 k( 7) = ( 0.0000000 0.0882353 -0.0000000), wk = 0.0024814 k( 8) = ( 0.0000000 0.1029412 -0.0000000), wk = 0.0024814 k( 9) = ( 0.0000000 0.1176471 -0.0000000), wk = 0.0024814 k( 10) = ( 0.0000000 0.1323529 -0.0000000), wk = 0.0024814 k( 11) = ( 0.0000000 0.1470588 -0.0000000), wk = 0.0024814 k( 12) = ( 0.0000000 0.1617647 -0.0000000), wk = 0.0024814 k( 13) = ( 0.0000000 0.1764706 -0.0000000), wk = 0.0024814 k( 14) = ( 0.0000000 0.1911765 -0.0000000), wk = 0.0024814 k( 15) = ( 0.0000000 0.2058823 -0.0000000), wk = 0.0024814 k( 16) = ( 0.0000000 0.2205882 -0.0000000), wk = 0.0024814 k( 17) = ( 0.0000000 0.2352941 -0.0000000), wk = 0.0024814 k( 18) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0024814 k( 19) = ( 0.0000000 0.2647059 -0.0000000), wk = 0.0024814 k( 20) = ( 0.0000000 0.2794118 -0.0000000), wk = 0.0024814 k( 21) = ( 0.0000000 0.2941177 -0.0000000), wk = 0.0024814 k( 22) = ( 0.0000000 0.3088235 -0.0000000), wk = 0.0024814 k( 23) = ( 0.0000000 0.3235294 -0.0000000), wk = 0.0024814 k( 24) = ( 0.0000000 0.3382353 -0.0000000), wk = 0.0024814 k( 25) = ( 0.0000000 0.3529412 -0.0000000), wk = 0.0024814 k( 26) = ( 0.0000000 0.3676471 -0.0000000), wk = 0.0024814 k( 27) = ( 0.0000000 0.3823529 -0.0000000), wk = 0.0024814 k( 28) = ( 0.0000000 0.3970588 -0.0000000), wk = 0.0024814 k( 29) = ( 0.0000000 0.4117647 -0.0000000), wk = 0.0024814 k( 30) = ( 0.0000000 0.4264706 -0.0000000), wk = 0.0024814 k( 31) = ( 0.0000000 0.4411765 -0.0000000), wk = 0.0024814 k( 32) = ( 0.0000000 0.4558823 -0.0000000), wk = 0.0024814 k( 33) = ( 0.0000000 0.4705882 -0.0000000), wk = 0.0024814 k( 34) = ( 0.0000000 0.4852941 -0.0000000), wk = 0.0024814 k( 35) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0024814 k( 36) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0024814 k( 37) = ( 0.0147059 0.5000000 -0.0000000), wk = 0.0024814 k( 38) = ( 0.0294118 0.5000000 -0.0000000), wk = 0.0024814 k( 39) = ( 0.0441177 0.5000000 -0.0000000), wk = 0.0024814 k( 40) = ( 0.0588235 0.5000000 -0.0000000), wk = 0.0024814 k( 41) = ( 0.0735294 0.5000000 -0.0000000), wk = 0.0024814 k( 42) = ( 0.0882353 0.5000000 -0.0000000), wk = 0.0024814 k( 43) = ( 0.1029412 0.5000000 -0.0000000), wk = 0.0024814 k( 44) = ( 0.1176471 0.5000000 -0.0000000), wk = 0.0024814 k( 45) = ( 0.1323529 0.5000000 -0.0000000), wk = 0.0024814 k( 46) = ( 0.1470588 0.5000000 -0.0000000), wk = 0.0024814 k( 47) = ( 0.1617647 0.5000000 -0.0000000), wk = 0.0024814 k( 48) = ( 0.1764706 0.5000000 -0.0000000), wk = 0.0024814 k( 49) = ( 0.1911765 0.5000000 -0.0000000), wk = 0.0024814 k( 50) = ( 0.2058823 0.5000000 -0.0000000), wk = 0.0024814 k( 51) = ( 0.2205882 0.5000000 -0.0000000), wk = 0.0024814 k( 52) = ( 0.2352941 0.5000000 -0.0000000), wk = 0.0024814 k( 53) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0024814 k( 54) = ( 0.2647059 0.5000000 -0.0000000), wk = 0.0024814 k( 55) = ( 0.2794118 0.5000000 -0.0000000), wk = 0.0024814 k( 56) = ( 0.2941177 0.5000000 -0.0000000), wk = 0.0024814 k( 57) = ( 0.3088235 0.5000000 -0.0000000), wk = 0.0024814 k( 58) = ( 0.3235294 0.5000000 -0.0000000), wk = 0.0024814 k( 59) = ( 0.3382353 0.5000000 -0.0000000), wk = 0.0024814 k( 60) = ( 0.3529412 0.5000000 -0.0000000), wk = 0.0024814 k( 61) = ( 0.3676471 0.5000000 -0.0000000), wk = 0.0024814 k( 62) = ( 0.3823529 0.5000000 -0.0000000), wk = 0.0024814 k( 63) = ( 0.3970588 0.5000000 -0.0000000), wk = 0.0024814 k( 64) = ( 0.4117647 0.5000000 -0.0000000), wk = 0.0024814 k( 65) = ( 0.4264706 0.5000000 -0.0000000), wk = 0.0024814 k( 66) = ( 0.4411765 0.5000000 -0.0000000), wk = 0.0024814 k( 67) = ( 0.4558823 0.5000000 -0.0000000), wk = 0.0024814 k( 68) = ( 0.4705882 0.5000000 -0.0000000), wk = 0.0024814 k( 69) = ( 0.4852941 0.5000000 -0.0000000), wk = 0.0024814 k( 70) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0024814 k( 71) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0024814 k( 72) = ( 0.4895833 0.4895833 -0.0000000), wk = 0.0024814 k( 73) = ( 0.4791667 0.4791667 -0.0000000), wk = 0.0024814 k( 74) = ( 0.4687500 0.4687500 -0.0000000), wk = 0.0024814 k( 75) = ( 0.4583333 0.4583333 -0.0000000), wk = 0.0024814 k( 76) = ( 0.4479167 0.4479167 -0.0000000), wk = 0.0024814 k( 77) = ( 0.4375000 0.4375000 -0.0000000), wk = 0.0024814 k( 78) = ( 0.4270833 0.4270833 -0.0000000), wk = 0.0024814 k( 79) = ( 0.4166667 0.4166667 -0.0000000), wk = 0.0024814 k( 80) = ( 0.4062500 0.4062500 -0.0000000), wk = 0.0024814 k( 81) = ( 0.3958333 0.3958333 -0.0000000), wk = 0.0024814 k( 82) = ( 0.3854167 0.3854167 -0.0000000), wk = 0.0024814 k( 83) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0024814 k( 84) = ( 0.3645833 0.3645833 -0.0000000), wk = 0.0024814 k( 85) = ( 0.3541667 0.3541667 -0.0000000), wk = 0.0024814 k( 86) = ( 0.3437500 0.3437500 -0.0000000), wk = 0.0024814 k( 87) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0024814 k( 88) = ( 0.3229167 0.3229167 -0.0000000), wk = 0.0024814 k( 89) = ( 0.3125000 0.3125000 -0.0000000), wk = 0.0024814 k( 90) = ( 0.3020833 0.3020833 -0.0000000), wk = 0.0024814 k( 91) = ( 0.2916667 0.2916667 -0.0000000), wk = 0.0024814 k( 92) = ( 0.2812500 0.2812500 -0.0000000), wk = 0.0024814 k( 93) = ( 0.2708333 0.2708333 -0.0000000), wk = 0.0024814 k( 94) = ( 0.2604167 0.2604167 -0.0000000), wk = 0.0024814 k( 95) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0024814 k( 96) = ( 0.2395833 0.2395833 -0.0000000), wk = 0.0024814 k( 97) = ( 0.2291667 0.2291667 -0.0000000), wk = 0.0024814 k( 98) = ( 0.2187500 0.2187500 -0.0000000), wk = 0.0024814 k( 99) = ( 0.2083333 0.2083333 -0.0000000), wk = 0.0024814 k( 100) = ( 0.1979167 0.1979167 -0.0000000), wk = 0.0024814 k( 101) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0024814 k( 102) = ( 0.1770833 0.1770833 -0.0000000), wk = 0.0024814 k( 103) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0024814 k( 104) = ( 0.1562500 0.1562500 -0.0000000), wk = 0.0024814 k( 105) = ( 0.1458333 0.1458333 -0.0000000), wk = 0.0024814 k( 106) = ( 0.1354167 0.1354167 -0.0000000), wk = 0.0024814 k( 107) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0024814 k( 108) = ( 0.1145833 0.1145833 -0.0000000), wk = 0.0024814 k( 109) = ( 0.1041667 0.1041667 -0.0000000), wk = 0.0024814 k( 110) = ( 0.0937500 0.0937500 -0.0000000), wk = 0.0024814 k( 111) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0024814 k( 112) = ( 0.0729167 0.0729167 -0.0000000), wk = 0.0024814 k( 113) = ( 0.0625000 0.0625000 -0.0000000), wk = 0.0024814 k( 114) = ( 0.0520833 0.0520833 -0.0000000), wk = 0.0024814 k( 115) = ( 0.0416667 0.0416667 -0.0000000), wk = 0.0024814 k( 116) = ( 0.0312500 0.0312500 -0.0000000), wk = 0.0024814 k( 117) = ( 0.0208333 0.0208333 -0.0000000), wk = 0.0024814 k( 118) = ( 0.0104167 0.0104167 -0.0000000), wk = 0.0024814 k( 119) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024814 k( 120) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024814 k( 121) = ( 0.0000000 0.0000000 0.0148981), wk = 0.0024814 k( 122) = ( 0.0000000 0.0000000 0.0297962), wk = 0.0024814 k( 123) = ( 0.0000000 0.0000000 0.0446943), wk = 0.0024814 k( 124) = ( 0.0000000 0.0000000 0.0595924), wk = 0.0024814 k( 125) = ( 0.0000000 0.0000000 0.0744905), wk = 0.0024814 k( 126) = ( 0.0000000 0.0000000 0.0893886), wk = 0.0024814 k( 127) = ( 0.0000000 0.0000000 0.1042867), wk = 0.0024814 k( 128) = ( 0.0000000 0.0000000 0.1191847), wk = 0.0024814 k( 129) = ( 0.0000000 0.0000000 0.1340828), wk = 0.0024814 k( 130) = ( 0.0000000 0.0000000 0.1489809), wk = 0.0024814 k( 131) = ( 0.0000000 0.0000000 0.1638790), wk = 0.0024814 k( 132) = ( 0.0000000 0.0000000 0.1787771), wk = 0.0024814 k( 133) = ( 0.0000000 0.0000000 0.1936752), wk = 0.0024814 k( 134) = ( 0.0000000 0.0000000 0.2085733), wk = 0.0024814 k( 135) = ( 0.0000000 0.0000000 0.2234714), wk = 0.0024814 k( 136) = ( 0.0000000 0.0000000 0.2383695), wk = 0.0024814 k( 137) = ( 0.0000000 0.0000000 0.2532676), wk = 0.0024814 k( 138) = ( 0.0000000 0.0000000 0.2681657), wk = 0.0024814 k( 139) = ( 0.0000000 0.0000000 0.2830638), wk = 0.0024814 k( 140) = ( 0.0000000 0.0000000 0.2979619), wk = 0.0024814 k( 141) = ( 0.0000000 0.0000000 0.3128600), wk = 0.0024814 k( 142) = ( 0.0000000 0.0000000 0.3277581), wk = 0.0024814 k( 143) = ( 0.0000000 0.0000000 0.3426562), wk = 0.0024814 k( 144) = ( 0.0000000 0.0000000 0.3575543), wk = 0.0024814 k( 145) = ( 0.0000000 0.0000000 0.3724524), wk = 0.0024814 k( 146) = ( 0.0000000 0.0000000 0.3873504), wk = 0.0024814 k( 147) = ( 0.0000000 0.0000000 0.4022485), wk = 0.0024814 k( 148) = ( 0.0000000 0.0000000 0.4171466), wk = 0.0024814 k( 149) = ( 0.0000000 0.0000000 0.4320447), wk = 0.0024814 k( 150) = ( 0.0000000 0.0000000 0.4469428), wk = 0.0024814 k( 151) = ( 0.0000000 0.0000000 0.4618409), wk = 0.0024814 k( 152) = ( 0.0000000 0.0000000 0.4767390), wk = 0.0024814 k( 153) = ( 0.0000000 0.0000000 0.4916371), wk = 0.0024814 k( 154) = ( 0.0000000 0.0000000 0.5065352), wk = 0.0024814 k( 155) = ( 0.0000000 0.0000000 0.5214333), wk = 0.0024814 k( 156) = ( 0.0000000 0.0000000 0.5363314), wk = 0.0024814 k( 157) = ( 0.0000000 0.0000000 0.5512295), wk = 0.0024814 k( 158) = ( 0.0000000 0.0000000 0.5661276), wk = 0.0024814 k( 159) = ( 0.0000000 0.0000000 0.5810257), wk = 0.0024814 k( 160) = ( 0.0000000 0.0000000 0.5959238), wk = 0.0024814 k( 161) = ( 0.0000000 0.0000000 0.6108219), wk = 0.0024814 k( 162) = ( 0.0000000 0.0000000 0.6257200), wk = 0.0024814 k( 163) = ( 0.0000000 0.0000000 0.6406180), wk = 0.0024814 k( 164) = ( 0.0000000 0.0000000 0.6555161), wk = 0.0024814 k( 165) = ( 0.0000000 0.0000000 0.6704142), wk = 0.0024814 k( 166) = ( 0.0000000 0.0000000 0.6853123), wk = 0.0024814 k( 167) = ( 0.0000000 0.0000000 0.7002104), wk = 0.0024814 k( 168) = ( 0.0000000 0.0000000 0.7151085), wk = 0.0024814 k( 169) = ( 0.0000000 0.0000000 0.7300066), wk = 0.0024814 k( 170) = ( 0.0000000 0.0000000 0.7449047), wk = 0.0024814 k( 171) = ( 0.0000000 0.0000000 0.7598028), wk = 0.0024814 k( 172) = ( 0.0000000 0.0000000 0.7747009), wk = 0.0024814 k( 173) = ( 0.0000000 0.0000000 0.7895990), wk = 0.0024814 k( 174) = ( 0.0000000 0.0000000 0.8044971), wk = 0.0024814 k( 175) = ( 0.0000000 0.0000000 0.8044971), wk = 0.0024814 k( 176) = ( 0.0000000 0.0147059 0.8044971), wk = 0.0024814 k( 177) = ( 0.0000000 0.0294118 0.8044971), wk = 0.0024814 k( 178) = ( 0.0000000 0.0441177 0.8044971), wk = 0.0024814 k( 179) = ( 0.0000000 0.0588235 0.8044971), wk = 0.0024814 k( 180) = ( 0.0000000 0.0735294 0.8044971), wk = 0.0024814 k( 181) = ( 0.0000000 0.0882353 0.8044971), wk = 0.0024814 k( 182) = ( 0.0000000 0.1029412 0.8044971), wk = 0.0024814 k( 183) = ( 0.0000000 0.1176471 0.8044971), wk = 0.0024814 k( 184) = ( 0.0000000 0.1323529 0.8044971), wk = 0.0024814 k( 185) = ( 0.0000000 0.1470588 0.8044971), wk = 0.0024814 k( 186) = ( 0.0000000 0.1617647 0.8044971), wk = 0.0024814 k( 187) = ( 0.0000000 0.1764706 0.8044971), wk = 0.0024814 k( 188) = ( 0.0000000 0.1911765 0.8044971), wk = 0.0024814 k( 189) = ( 0.0000000 0.2058823 0.8044971), wk = 0.0024814 k( 190) = ( 0.0000000 0.2205882 0.8044971), wk = 0.0024814 k( 191) = ( 0.0000000 0.2352941 0.8044971), wk = 0.0024814 k( 192) = ( 0.0000000 0.2500000 0.8044971), wk = 0.0024814 k( 193) = ( 0.0000000 0.2647059 0.8044971), wk = 0.0024814 k( 194) = ( 0.0000000 0.2794118 0.8044971), wk = 0.0024814 k( 195) = ( 0.0000000 0.2941177 0.8044971), wk = 0.0024814 k( 196) = ( 0.0000000 0.3088235 0.8044971), wk = 0.0024814 k( 197) = ( 0.0000000 0.3235294 0.8044971), wk = 0.0024814 k( 198) = ( 0.0000000 0.3382353 0.8044971), wk = 0.0024814 k( 199) = ( 0.0000000 0.3529412 0.8044971), wk = 0.0024814 k( 200) = ( 0.0000000 0.3676471 0.8044971), wk = 0.0024814 k( 201) = ( 0.0000000 0.3823529 0.8044971), wk = 0.0024814 k( 202) = ( 0.0000000 0.3970588 0.8044971), wk = 0.0024814 k( 203) = ( 0.0000000 0.4117647 0.8044971), wk = 0.0024814 k( 204) = ( 0.0000000 0.4264706 0.8044971), wk = 0.0024814 k( 205) = ( 0.0000000 0.4411765 0.8044971), wk = 0.0024814 k( 206) = ( 0.0000000 0.4558823 0.8044971), wk = 0.0024814 k( 207) = ( 0.0000000 0.4705882 0.8044971), wk = 0.0024814 k( 208) = ( 0.0000000 0.4852941 0.8044971), wk = 0.0024814 k( 209) = ( 0.0000000 0.5000000 0.8044971), wk = 0.0024814 k( 210) = ( 0.0000000 0.5000000 0.8044971), wk = 0.0024814 k( 211) = ( 0.0147059 0.5000000 0.8044971), wk = 0.0024814 k( 212) = ( 0.0294118 0.5000000 0.8044971), wk = 0.0024814 k( 213) = ( 0.0441177 0.5000000 0.8044971), wk = 0.0024814 k( 214) = ( 0.0588235 0.5000000 0.8044971), wk = 0.0024814 k( 215) = ( 0.0735294 0.5000000 0.8044971), wk = 0.0024814 k( 216) = ( 0.0882353 0.5000000 0.8044971), wk = 0.0024814 k( 217) = ( 0.1029412 0.5000000 0.8044971), wk = 0.0024814 k( 218) = ( 0.1176471 0.5000000 0.8044971), wk = 0.0024814 k( 219) = ( 0.1323529 0.5000000 0.8044971), wk = 0.0024814 k( 220) = ( 0.1470588 0.5000000 0.8044971), wk = 0.0024814 k( 221) = ( 0.1617647 0.5000000 0.8044971), wk = 0.0024814 k( 222) = ( 0.1764706 0.5000000 0.8044971), wk = 0.0024814 k( 223) = ( 0.1911765 0.5000000 0.8044971), wk = 0.0024814 k( 224) = ( 0.2058823 0.5000000 0.8044971), wk = 0.0024814 k( 225) = ( 0.2205882 0.5000000 0.8044971), wk = 0.0024814 k( 226) = ( 0.2352941 0.5000000 0.8044971), wk = 0.0024814 k( 227) = ( 0.2500000 0.5000000 0.8044971), wk = 0.0024814 k( 228) = ( 0.2647059 0.5000000 0.8044971), wk = 0.0024814 k( 229) = ( 0.2794118 0.5000000 0.8044971), wk = 0.0024814 k( 230) = ( 0.2941177 0.5000000 0.8044971), wk = 0.0024814 k( 231) = ( 0.3088235 0.5000000 0.8044971), wk = 0.0024814 k( 232) = ( 0.3235294 0.5000000 0.8044971), wk = 0.0024814 k( 233) = ( 0.3382353 0.5000000 0.8044971), wk = 0.0024814 k( 234) = ( 0.3529412 0.5000000 0.8044971), wk = 0.0024814 k( 235) = ( 0.3676471 0.5000000 0.8044971), wk = 0.0024814 k( 236) = ( 0.3823529 0.5000000 0.8044971), wk = 0.0024814 k( 237) = ( 0.3970588 0.5000000 0.8044971), wk = 0.0024814 k( 238) = ( 0.4117647 0.5000000 0.8044971), wk = 0.0024814 k( 239) = ( 0.4264706 0.5000000 0.8044971), wk = 0.0024814 k( 240) = ( 0.4411765 0.5000000 0.8044971), wk = 0.0024814 k( 241) = ( 0.4558823 0.5000000 0.8044971), wk = 0.0024814 k( 242) = ( 0.4705882 0.5000000 0.8044971), wk = 0.0024814 k( 243) = ( 0.4852941 0.5000000 0.8044971), wk = 0.0024814 k( 244) = ( 0.5000000 0.5000000 0.8044971), wk = 0.0024814 k( 245) = ( 0.5000000 0.5000000 0.8044971), wk = 0.0024814 k( 246) = ( 0.4895833 0.4895833 0.8044971), wk = 0.0024814 k( 247) = ( 0.4791667 0.4791667 0.8044971), wk = 0.0024814 k( 248) = ( 0.4687500 0.4687500 0.8044971), wk = 0.0024814 k( 249) = ( 0.4583333 0.4583333 0.8044971), wk = 0.0024814 k( 250) = ( 0.4479167 0.4479167 0.8044971), wk = 0.0024814 k( 251) = ( 0.4375000 0.4375000 0.8044971), wk = 0.0024814 k( 252) = ( 0.4270833 0.4270833 0.8044971), wk = 0.0024814 k( 253) = ( 0.4166667 0.4166667 0.8044971), wk = 0.0024814 k( 254) = ( 0.4062500 0.4062500 0.8044971), wk = 0.0024814 k( 255) = ( 0.3958333 0.3958333 0.8044971), wk = 0.0024814 k( 256) = ( 0.3854167 0.3854167 0.8044971), wk = 0.0024814 k( 257) = ( 0.3750000 0.3750000 0.8044971), wk = 0.0024814 k( 258) = ( 0.3645833 0.3645833 0.8044971), wk = 0.0024814 k( 259) = ( 0.3541667 0.3541667 0.8044971), wk = 0.0024814 k( 260) = ( 0.3437500 0.3437500 0.8044971), wk = 0.0024814 k( 261) = ( 0.3333333 0.3333333 0.8044971), wk = 0.0024814 k( 262) = ( 0.3229167 0.3229167 0.8044971), wk = 0.0024814 k( 263) = ( 0.3125000 0.3125000 0.8044971), wk = 0.0024814 k( 264) = ( 0.3020833 0.3020833 0.8044971), wk = 0.0024814 k( 265) = ( 0.2916667 0.2916667 0.8044971), wk = 0.0024814 k( 266) = ( 0.2812500 0.2812500 0.8044971), wk = 0.0024814 k( 267) = ( 0.2708333 0.2708333 0.8044971), wk = 0.0024814 k( 268) = ( 0.2604167 0.2604167 0.8044971), wk = 0.0024814 k( 269) = ( 0.2500000 0.2500000 0.8044971), wk = 0.0024814 k( 270) = ( 0.2395833 0.2395833 0.8044971), wk = 0.0024814 k( 271) = ( 0.2291667 0.2291667 0.8044971), wk = 0.0024814 k( 272) = ( 0.2187500 0.2187500 0.8044971), wk = 0.0024814 k( 273) = ( 0.2083333 0.2083333 0.8044971), wk = 0.0024814 k( 274) = ( 0.1979167 0.1979167 0.8044971), wk = 0.0024814 k( 275) = ( 0.1875000 0.1875000 0.8044971), wk = 0.0024814 k( 276) = ( 0.1770833 0.1770833 0.8044971), wk = 0.0024814 k( 277) = ( 0.1666667 0.1666667 0.8044971), wk = 0.0024814 k( 278) = ( 0.1562500 0.1562500 0.8044971), wk = 0.0024814 k( 279) = ( 0.1458333 0.1458333 0.8044971), wk = 0.0024814 k( 280) = ( 0.1354167 0.1354167 0.8044971), wk = 0.0024814 k( 281) = ( 0.1250000 0.1250000 0.8044971), wk = 0.0024814 k( 282) = ( 0.1145833 0.1145833 0.8044971), wk = 0.0024814 k( 283) = ( 0.1041667 0.1041667 0.8044971), wk = 0.0024814 k( 284) = ( 0.0937500 0.0937500 0.8044971), wk = 0.0024814 k( 285) = ( 0.0833333 0.0833333 0.8044971), wk = 0.0024814 k( 286) = ( 0.0729167 0.0729167 0.8044971), wk = 0.0024814 k( 287) = ( 0.0625000 0.0625000 0.8044971), wk = 0.0024814 k( 288) = ( 0.0520833 0.0520833 0.8044971), wk = 0.0024814 k( 289) = ( 0.0416667 0.0416667 0.8044971), wk = 0.0024814 k( 290) = ( 0.0312500 0.0312500 0.8044971), wk = 0.0024814 k( 291) = ( 0.0208333 0.0208333 0.8044971), wk = 0.0024814 k( 292) = ( 0.0104167 0.0104167 0.8044971), wk = 0.0024814 k( 293) = ( 0.0000000 0.0000000 0.8044971), wk = 0.0024814 k( 294) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0024814 k( 295) = ( 0.0000000 0.5000000 0.0148981), wk = 0.0024814 k( 296) = ( 0.0000000 0.5000000 0.0297962), wk = 0.0024814 k( 297) = ( 0.0000000 0.5000000 0.0446943), wk = 0.0024814 k( 298) = ( 0.0000000 0.5000000 0.0595924), wk = 0.0024814 k( 299) = ( 0.0000000 0.5000000 0.0744905), wk = 0.0024814 k( 300) = ( 0.0000000 0.5000000 0.0893886), wk = 0.0024814 k( 301) = ( 0.0000000 0.5000000 0.1042867), wk = 0.0024814 k( 302) = ( 0.0000000 0.5000000 0.1191847), wk = 0.0024814 k( 303) = ( 0.0000000 0.5000000 0.1340828), wk = 0.0024814 k( 304) = ( 0.0000000 0.5000000 0.1489809), wk = 0.0024814 k( 305) = ( 0.0000000 0.5000000 0.1638790), wk = 0.0024814 k( 306) = ( 0.0000000 0.5000000 0.1787771), wk = 0.0024814 k( 307) = ( 0.0000000 0.5000000 0.1936752), wk = 0.0024814 k( 308) = ( 0.0000000 0.5000000 0.2085733), wk = 0.0024814 k( 309) = ( 0.0000000 0.5000000 0.2234714), wk = 0.0024814 k( 310) = ( 0.0000000 0.5000000 0.2383695), wk = 0.0024814 k( 311) = ( 0.0000000 0.5000000 0.2532676), wk = 0.0024814 k( 312) = ( 0.0000000 0.5000000 0.2681657), wk = 0.0024814 k( 313) = ( 0.0000000 0.5000000 0.2830638), wk = 0.0024814 k( 314) = ( 0.0000000 0.5000000 0.2979619), wk = 0.0024814 k( 315) = ( 0.0000000 0.5000000 0.3128600), wk = 0.0024814 k( 316) = ( 0.0000000 0.5000000 0.3277581), wk = 0.0024814 k( 317) = ( 0.0000000 0.5000000 0.3426562), wk = 0.0024814 k( 318) = ( 0.0000000 0.5000000 0.3575543), wk = 0.0024814 k( 319) = ( 0.0000000 0.5000000 0.3724524), wk = 0.0024814 k( 320) = ( 0.0000000 0.5000000 0.3873504), wk = 0.0024814 k( 321) = ( 0.0000000 0.5000000 0.4022485), wk = 0.0024814 k( 322) = ( 0.0000000 0.5000000 0.4171466), wk = 0.0024814 k( 323) = ( 0.0000000 0.5000000 0.4320447), wk = 0.0024814 k( 324) = ( 0.0000000 0.5000000 0.4469428), wk = 0.0024814 k( 325) = ( 0.0000000 0.5000000 0.4618409), wk = 0.0024814 k( 326) = ( 0.0000000 0.5000000 0.4767390), wk = 0.0024814 k( 327) = ( 0.0000000 0.5000000 0.4916371), wk = 0.0024814 k( 328) = ( 0.0000000 0.5000000 0.5065352), wk = 0.0024814 k( 329) = ( 0.0000000 0.5000000 0.5214333), wk = 0.0024814 k( 330) = ( 0.0000000 0.5000000 0.5363314), wk = 0.0024814 k( 331) = ( 0.0000000 0.5000000 0.5512295), wk = 0.0024814 k( 332) = ( 0.0000000 0.5000000 0.5661276), wk = 0.0024814 k( 333) = ( 0.0000000 0.5000000 0.5810257), wk = 0.0024814 k( 334) = ( 0.0000000 0.5000000 0.5959238), wk = 0.0024814 k( 335) = ( 0.0000000 0.5000000 0.6108219), wk = 0.0024814 k( 336) = ( 0.0000000 0.5000000 0.6257200), wk = 0.0024814 k( 337) = ( 0.0000000 0.5000000 0.6406180), wk = 0.0024814 k( 338) = ( 0.0000000 0.5000000 0.6555161), wk = 0.0024814 k( 339) = ( 0.0000000 0.5000000 0.6704142), wk = 0.0024814 k( 340) = ( 0.0000000 0.5000000 0.6853123), wk = 0.0024814 k( 341) = ( 0.0000000 0.5000000 0.7002104), wk = 0.0024814 k( 342) = ( 0.0000000 0.5000000 0.7151085), wk = 0.0024814 k( 343) = ( 0.0000000 0.5000000 0.7300066), wk = 0.0024814 k( 344) = ( 0.0000000 0.5000000 0.7449047), wk = 0.0024814 k( 345) = ( 0.0000000 0.5000000 0.7598028), wk = 0.0024814 k( 346) = ( 0.0000000 0.5000000 0.7747009), wk = 0.0024814 k( 347) = ( 0.0000000 0.5000000 0.7895990), wk = 0.0024814 k( 348) = ( 0.0000000 0.5000000 0.8044971), wk = 0.0024814 k( 349) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0024814 k( 350) = ( 0.5000000 0.5000000 0.0148981), wk = 0.0024814 k( 351) = ( 0.5000000 0.5000000 0.0297962), wk = 0.0024814 k( 352) = ( 0.5000000 0.5000000 0.0446943), wk = 0.0024814 k( 353) = ( 0.5000000 0.5000000 0.0595924), wk = 0.0024814 k( 354) = ( 0.5000000 0.5000000 0.0744905), wk = 0.0024814 k( 355) = ( 0.5000000 0.5000000 0.0893886), wk = 0.0024814 k( 356) = ( 0.5000000 0.5000000 0.1042867), wk = 0.0024814 k( 357) = ( 0.5000000 0.5000000 0.1191847), wk = 0.0024814 k( 358) = ( 0.5000000 0.5000000 0.1340828), wk = 0.0024814 k( 359) = ( 0.5000000 0.5000000 0.1489809), wk = 0.0024814 k( 360) = ( 0.5000000 0.5000000 0.1638790), wk = 0.0024814 k( 361) = ( 0.5000000 0.5000000 0.1787771), wk = 0.0024814 k( 362) = ( 0.5000000 0.5000000 0.1936752), wk = 0.0024814 k( 363) = ( 0.5000000 0.5000000 0.2085733), wk = 0.0024814 k( 364) = ( 0.5000000 0.5000000 0.2234714), wk = 0.0024814 k( 365) = ( 0.5000000 0.5000000 0.2383695), wk = 0.0024814 k( 366) = ( 0.5000000 0.5000000 0.2532676), wk = 0.0024814 k( 367) = ( 0.5000000 0.5000000 0.2681657), wk = 0.0024814 k( 368) = ( 0.5000000 0.5000000 0.2830638), wk = 0.0024814 k( 369) = ( 0.5000000 0.5000000 0.2979619), wk = 0.0024814 k( 370) = ( 0.5000000 0.5000000 0.3128600), wk = 0.0024814 k( 371) = ( 0.5000000 0.5000000 0.3277581), wk = 0.0024814 k( 372) = ( 0.5000000 0.5000000 0.3426562), wk = 0.0024814 k( 373) = ( 0.5000000 0.5000000 0.3575543), wk = 0.0024814 k( 374) = ( 0.5000000 0.5000000 0.3724524), wk = 0.0024814 k( 375) = ( 0.5000000 0.5000000 0.3873504), wk = 0.0024814 k( 376) = ( 0.5000000 0.5000000 0.4022485), wk = 0.0024814 k( 377) = ( 0.5000000 0.5000000 0.4171466), wk = 0.0024814 k( 378) = ( 0.5000000 0.5000000 0.4320447), wk = 0.0024814 k( 379) = ( 0.5000000 0.5000000 0.4469428), wk = 0.0024814 k( 380) = ( 0.5000000 0.5000000 0.4618409), wk = 0.0024814 k( 381) = ( 0.5000000 0.5000000 0.4767390), wk = 0.0024814 k( 382) = ( 0.5000000 0.5000000 0.4916371), wk = 0.0024814 k( 383) = ( 0.5000000 0.5000000 0.5065352), wk = 0.0024814 k( 384) = ( 0.5000000 0.5000000 0.5214333), wk = 0.0024814 k( 385) = ( 0.5000000 0.5000000 0.5363314), wk = 0.0024814 k( 386) = ( 0.5000000 0.5000000 0.5512295), wk = 0.0024814 k( 387) = ( 0.5000000 0.5000000 0.5661276), wk = 0.0024814 k( 388) = ( 0.5000000 0.5000000 0.5810257), wk = 0.0024814 k( 389) = ( 0.5000000 0.5000000 0.5959238), wk = 0.0024814 k( 390) = ( 0.5000000 0.5000000 0.6108219), wk = 0.0024814 k( 391) = ( 0.5000000 0.5000000 0.6257200), wk = 0.0024814 k( 392) = ( 0.5000000 0.5000000 0.6406180), wk = 0.0024814 k( 393) = ( 0.5000000 0.5000000 0.6555161), wk = 0.0024814 k( 394) = ( 0.5000000 0.5000000 0.6704142), wk = 0.0024814 k( 395) = ( 0.5000000 0.5000000 0.6853123), wk = 0.0024814 k( 396) = ( 0.5000000 0.5000000 0.7002104), wk = 0.0024814 k( 397) = ( 0.5000000 0.5000000 0.7151085), wk = 0.0024814 k( 398) = ( 0.5000000 0.5000000 0.7300066), wk = 0.0024814 k( 399) = ( 0.5000000 0.5000000 0.7449047), wk = 0.0024814 k( 400) = ( 0.5000000 0.5000000 0.7598028), wk = 0.0024814 k( 401) = ( 0.5000000 0.5000000 0.7747009), wk = 0.0024814 k( 402) = ( 0.5000000 0.5000000 0.7895990), wk = 0.0024814 k( 403) = ( 0.5000000 0.5000000 0.8044971), wk = 0.0024814 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024814 k( 2) = ( 0.0000000 0.0147059 -0.0000000), wk = 0.0024814 k( 3) = ( 0.0000000 0.0294118 -0.0000000), wk = 0.0024814 k( 4) = ( 0.0000000 0.0441177 -0.0000000), wk = 0.0024814 k( 5) = ( 0.0000000 0.0588235 0.0000000), wk = 0.0024814 k( 6) = ( 0.0000000 0.0735294 -0.0000000), wk = 0.0024814 k( 7) = ( 0.0000000 0.0882353 -0.0000000), wk = 0.0024814 k( 8) = ( 0.0000000 0.1029412 0.0000000), wk = 0.0024814 k( 9) = ( 0.0000000 0.1176471 0.0000000), wk = 0.0024814 k( 10) = ( 0.0000000 0.1323529 -0.0000000), wk = 0.0024814 k( 11) = ( 0.0000000 0.1470588 -0.0000000), wk = 0.0024814 k( 12) = ( 0.0000000 0.1617647 -0.0000000), wk = 0.0024814 k( 13) = ( 0.0000000 0.1764706 0.0000000), wk = 0.0024814 k( 14) = ( 0.0000000 0.1911765 0.0000000), wk = 0.0024814 k( 15) = ( 0.0000000 0.2058823 -0.0000000), wk = 0.0024814 k( 16) = ( 0.0000000 0.2205882 -0.0000000), wk = 0.0024814 k( 17) = ( 0.0000000 0.2352941 0.0000000), wk = 0.0024814 k( 18) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0024814 k( 19) = ( 0.0000000 0.2647059 -0.0000000), wk = 0.0024814 k( 20) = ( 0.0000000 0.2794118 0.0000000), wk = 0.0024814 k( 21) = ( 0.0000000 0.2941177 0.0000000), wk = 0.0024814 k( 22) = ( 0.0000000 0.3088235 -0.0000000), wk = 0.0024814 k( 23) = ( 0.0000000 0.3235294 0.0000000), wk = 0.0024814 k( 24) = ( 0.0000000 0.3382353 0.0000000), wk = 0.0024814 k( 25) = ( 0.0000000 0.3529412 0.0000000), wk = 0.0024814 k( 26) = ( 0.0000000 0.3676471 0.0000000), wk = 0.0024814 k( 27) = ( 0.0000000 0.3823529 0.0000000), wk = 0.0024814 k( 28) = ( 0.0000000 0.3970588 -0.0000000), wk = 0.0024814 k( 29) = ( 0.0000000 0.4117647 -0.0000000), wk = 0.0024814 k( 30) = ( 0.0000000 0.4264706 -0.0000000), wk = 0.0024814 k( 31) = ( 0.0000000 0.4411765 0.0000000), wk = 0.0024814 k( 32) = ( 0.0000000 0.4558823 0.0000000), wk = 0.0024814 k( 33) = ( 0.0000000 0.4705882 0.0000000), wk = 0.0024814 k( 34) = ( 0.0000000 0.4852941 0.0000000), wk = 0.0024814 k( 35) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0024814 k( 36) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0024814 k( 37) = ( 0.0147059 0.5000000 0.0000000), wk = 0.0024814 k( 38) = ( 0.0294118 0.5000000 -0.0000000), wk = 0.0024814 k( 39) = ( 0.0441177 0.5000000 -0.0000000), wk = 0.0024814 k( 40) = ( 0.0588235 0.5000000 0.0000000), wk = 0.0024814 k( 41) = ( 0.0735294 0.5000000 0.0000000), wk = 0.0024814 k( 42) = ( 0.0882353 0.5000000 0.0000000), wk = 0.0024814 k( 43) = ( 0.1029412 0.5000000 0.0000000), wk = 0.0024814 k( 44) = ( 0.1176471 0.5000000 0.0000000), wk = 0.0024814 k( 45) = ( 0.1323529 0.5000000 0.0000000), wk = 0.0024814 k( 46) = ( 0.1470588 0.5000000 0.0000000), wk = 0.0024814 k( 47) = ( 0.1617647 0.5000000 0.0000000), wk = 0.0024814 k( 48) = ( 0.1764706 0.5000000 0.0000000), wk = 0.0024814 k( 49) = ( 0.1911765 0.5000000 0.0000000), wk = 0.0024814 k( 50) = ( 0.2058823 0.5000000 0.0000000), wk = 0.0024814 k( 51) = ( 0.2205882 0.5000000 0.0000000), wk = 0.0024814 k( 52) = ( 0.2352941 0.5000000 0.0000000), wk = 0.0024814 k( 53) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0024814 k( 54) = ( 0.2647059 0.5000000 0.0000000), wk = 0.0024814 k( 55) = ( 0.2794118 0.5000000 -0.0000000), wk = 0.0024814 k( 56) = ( 0.2941177 0.5000000 -0.0000000), wk = 0.0024814 k( 57) = ( 0.3088235 0.5000000 -0.0000000), wk = 0.0024814 k( 58) = ( 0.3235294 0.5000000 -0.0000000), wk = 0.0024814 k( 59) = ( 0.3382353 0.5000000 -0.0000000), wk = 0.0024814 k( 60) = ( 0.3529412 0.5000000 -0.0000000), wk = 0.0024814 k( 61) = ( 0.3676471 0.5000000 0.0000000), wk = 0.0024814 k( 62) = ( 0.3823529 0.5000000 0.0000000), wk = 0.0024814 k( 63) = ( 0.3970588 0.5000000 0.0000000), wk = 0.0024814 k( 64) = ( 0.4117647 0.5000000 -0.0000000), wk = 0.0024814 k( 65) = ( 0.4264706 0.5000000 -0.0000000), wk = 0.0024814 k( 66) = ( 0.4411765 0.5000000 0.0000000), wk = 0.0024814 k( 67) = ( 0.4558823 0.5000000 -0.0000000), wk = 0.0024814 k( 68) = ( 0.4705882 0.5000000 0.0000000), wk = 0.0024814 k( 69) = ( 0.4852941 0.5000000 -0.0000000), wk = 0.0024814 k( 70) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0024814 k( 71) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0024814 k( 72) = ( 0.4895833 0.4895833 0.0000000), wk = 0.0024814 k( 73) = ( 0.4791667 0.4791667 0.0000000), wk = 0.0024814 k( 74) = ( 0.4687500 0.4687500 0.0000000), wk = 0.0024814 k( 75) = ( 0.4583333 0.4583333 0.0000000), wk = 0.0024814 k( 76) = ( 0.4479167 0.4479167 0.0000000), wk = 0.0024814 k( 77) = ( 0.4375000 0.4375000 0.0000000), wk = 0.0024814 k( 78) = ( 0.4270833 0.4270833 0.0000000), wk = 0.0024814 k( 79) = ( 0.4166667 0.4166667 -0.0000000), wk = 0.0024814 k( 80) = ( 0.4062500 0.4062500 0.0000000), wk = 0.0024814 k( 81) = ( 0.3958333 0.3958333 -0.0000000), wk = 0.0024814 k( 82) = ( 0.3854167 0.3854167 0.0000000), wk = 0.0024814 k( 83) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0024814 k( 84) = ( 0.3645833 0.3645833 -0.0000000), wk = 0.0024814 k( 85) = ( 0.3541667 0.3541667 0.0000000), wk = 0.0024814 k( 86) = ( 0.3437500 0.3437500 -0.0000000), wk = 0.0024814 k( 87) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0024814 k( 88) = ( 0.3229167 0.3229167 -0.0000000), wk = 0.0024814 k( 89) = ( 0.3125000 0.3125000 -0.0000000), wk = 0.0024814 k( 90) = ( 0.3020833 0.3020833 -0.0000000), wk = 0.0024814 k( 91) = ( 0.2916667 0.2916667 -0.0000000), wk = 0.0024814 k( 92) = ( 0.2812500 0.2812500 -0.0000000), wk = 0.0024814 k( 93) = ( 0.2708333 0.2708333 0.0000000), wk = 0.0024814 k( 94) = ( 0.2604167 0.2604167 0.0000000), wk = 0.0024814 k( 95) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0024814 k( 96) = ( 0.2395833 0.2395833 0.0000000), wk = 0.0024814 k( 97) = ( 0.2291667 0.2291667 0.0000000), wk = 0.0024814 k( 98) = ( 0.2187500 0.2187500 0.0000000), wk = 0.0024814 k( 99) = ( 0.2083333 0.2083333 0.0000000), wk = 0.0024814 k( 100) = ( 0.1979167 0.1979167 0.0000000), wk = 0.0024814 k( 101) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0024814 k( 102) = ( 0.1770833 0.1770833 -0.0000000), wk = 0.0024814 k( 103) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0024814 k( 104) = ( 0.1562500 0.1562500 -0.0000000), wk = 0.0024814 k( 105) = ( 0.1458333 0.1458333 0.0000000), wk = 0.0024814 k( 106) = ( 0.1354167 0.1354167 0.0000000), wk = 0.0024814 k( 107) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0024814 k( 108) = ( 0.1145833 0.1145833 0.0000000), wk = 0.0024814 k( 109) = ( 0.1041667 0.1041667 0.0000000), wk = 0.0024814 k( 110) = ( 0.0937500 0.0937500 -0.0000000), wk = 0.0024814 k( 111) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0024814 k( 112) = ( 0.0729167 0.0729167 0.0000000), wk = 0.0024814 k( 113) = ( 0.0625000 0.0625000 0.0000000), wk = 0.0024814 k( 114) = ( 0.0520833 0.0520833 0.0000000), wk = 0.0024814 k( 115) = ( 0.0416667 0.0416667 -0.0000000), wk = 0.0024814 k( 116) = ( 0.0312500 0.0312500 0.0000000), wk = 0.0024814 k( 117) = ( 0.0208333 0.0208333 -0.0000000), wk = 0.0024814 k( 118) = ( 0.0104167 0.0104167 -0.0000000), wk = 0.0024814 k( 119) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024814 k( 120) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024814 k( 121) = ( 0.0000000 0.0000000 0.0092593), wk = 0.0024814 k( 122) = ( 0.0000000 0.0000000 0.0185185), wk = 0.0024814 k( 123) = ( 0.0000000 0.0000000 0.0277778), wk = 0.0024814 k( 124) = ( 0.0000000 0.0000000 0.0370370), wk = 0.0024814 k( 125) = ( 0.0000000 0.0000000 0.0462963), wk = 0.0024814 k( 126) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0024814 k( 127) = ( 0.0000000 0.0000000 0.0648148), wk = 0.0024814 k( 128) = ( 0.0000000 0.0000000 0.0740741), wk = 0.0024814 k( 129) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0024814 k( 130) = ( 0.0000000 0.0000000 0.0925926), wk = 0.0024814 k( 131) = ( 0.0000000 0.0000000 0.1018519), wk = 0.0024814 k( 132) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0024814 k( 133) = ( 0.0000000 0.0000000 0.1203704), wk = 0.0024814 k( 134) = ( 0.0000000 0.0000000 0.1296296), wk = 0.0024814 k( 135) = ( 0.0000000 0.0000000 0.1388889), wk = 0.0024814 k( 136) = ( 0.0000000 0.0000000 0.1481482), wk = 0.0024814 k( 137) = ( 0.0000000 0.0000000 0.1574074), wk = 0.0024814 k( 138) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0024814 k( 139) = ( 0.0000000 0.0000000 0.1759259), wk = 0.0024814 k( 140) = ( 0.0000000 0.0000000 0.1851852), wk = 0.0024814 k( 141) = ( 0.0000000 0.0000000 0.1944444), wk = 0.0024814 k( 142) = ( 0.0000000 0.0000000 0.2037037), wk = 0.0024814 k( 143) = ( 0.0000000 0.0000000 0.2129630), wk = 0.0024814 k( 144) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0024814 k( 145) = ( 0.0000000 0.0000000 0.2314815), wk = 0.0024814 k( 146) = ( 0.0000000 0.0000000 0.2407407), wk = 0.0024814 k( 147) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0024814 k( 148) = ( 0.0000000 0.0000000 0.2592593), wk = 0.0024814 k( 149) = ( 0.0000000 0.0000000 0.2685185), wk = 0.0024814 k( 150) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0024814 k( 151) = ( 0.0000000 0.0000000 0.2870370), wk = 0.0024814 k( 152) = ( 0.0000000 0.0000000 0.2962963), wk = 0.0024814 k( 153) = ( 0.0000000 0.0000000 0.3055556), wk = 0.0024814 k( 154) = ( 0.0000000 0.0000000 0.3148148), wk = 0.0024814 k( 155) = ( 0.0000000 0.0000000 0.3240741), wk = 0.0024814 k( 156) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0024814 k( 157) = ( 0.0000000 0.0000000 0.3425926), wk = 0.0024814 k( 158) = ( 0.0000000 0.0000000 0.3518519), wk = 0.0024814 k( 159) = ( 0.0000000 0.0000000 0.3611111), wk = 0.0024814 k( 160) = ( 0.0000000 0.0000000 0.3703704), wk = 0.0024814 k( 161) = ( 0.0000000 0.0000000 0.3796296), wk = 0.0024814 k( 162) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0024814 k( 163) = ( 0.0000000 0.0000000 0.3981482), wk = 0.0024814 k( 164) = ( 0.0000000 0.0000000 0.4074074), wk = 0.0024814 k( 165) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0024814 k( 166) = ( 0.0000000 0.0000000 0.4259259), wk = 0.0024814 k( 167) = ( 0.0000000 0.0000000 0.4351852), wk = 0.0024814 k( 168) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0024814 k( 169) = ( 0.0000000 0.0000000 0.4537037), wk = 0.0024814 k( 170) = ( 0.0000000 0.0000000 0.4629630), wk = 0.0024814 k( 171) = ( 0.0000000 0.0000000 0.4722222), wk = 0.0024814 k( 172) = ( 0.0000000 0.0000000 0.4814815), wk = 0.0024814 k( 173) = ( 0.0000000 0.0000000 0.4907407), wk = 0.0024814 k( 174) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024814 k( 175) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024814 k( 176) = ( 0.0000000 0.0147059 0.5000000), wk = 0.0024814 k( 177) = ( 0.0000000 0.0294118 0.5000000), wk = 0.0024814 k( 178) = ( 0.0000000 0.0441177 0.5000000), wk = 0.0024814 k( 179) = ( 0.0000000 0.0588235 0.5000000), wk = 0.0024814 k( 180) = ( 0.0000000 0.0735294 0.5000000), wk = 0.0024814 k( 181) = ( 0.0000000 0.0882353 0.5000000), wk = 0.0024814 k( 182) = ( 0.0000000 0.1029412 0.5000000), wk = 0.0024814 k( 183) = ( 0.0000000 0.1176471 0.5000000), wk = 0.0024814 k( 184) = ( 0.0000000 0.1323529 0.5000000), wk = 0.0024814 k( 185) = ( 0.0000000 0.1470588 0.5000000), wk = 0.0024814 k( 186) = ( 0.0000000 0.1617647 0.5000000), wk = 0.0024814 k( 187) = ( 0.0000000 0.1764706 0.5000000), wk = 0.0024814 k( 188) = ( 0.0000000 0.1911765 0.5000000), wk = 0.0024814 k( 189) = ( 0.0000000 0.2058823 0.5000000), wk = 0.0024814 k( 190) = ( 0.0000000 0.2205882 0.5000000), wk = 0.0024814 k( 191) = ( 0.0000000 0.2352941 0.5000000), wk = 0.0024814 k( 192) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0024814 k( 193) = ( 0.0000000 0.2647059 0.5000000), wk = 0.0024814 k( 194) = ( 0.0000000 0.2794118 0.5000000), wk = 0.0024814 k( 195) = ( 0.0000000 0.2941177 0.5000000), wk = 0.0024814 k( 196) = ( 0.0000000 0.3088235 0.5000000), wk = 0.0024814 k( 197) = ( 0.0000000 0.3235294 0.5000000), wk = 0.0024814 k( 198) = ( 0.0000000 0.3382353 0.5000000), wk = 0.0024814 k( 199) = ( 0.0000000 0.3529412 0.5000000), wk = 0.0024814 k( 200) = ( 0.0000000 0.3676471 0.5000000), wk = 0.0024814 k( 201) = ( 0.0000000 0.3823529 0.5000000), wk = 0.0024814 k( 202) = ( 0.0000000 0.3970588 0.5000000), wk = 0.0024814 k( 203) = ( 0.0000000 0.4117647 0.5000000), wk = 0.0024814 k( 204) = ( 0.0000000 0.4264706 0.5000000), wk = 0.0024814 k( 205) = ( 0.0000000 0.4411765 0.5000000), wk = 0.0024814 k( 206) = ( 0.0000000 0.4558823 0.5000000), wk = 0.0024814 k( 207) = ( 0.0000000 0.4705882 0.5000000), wk = 0.0024814 k( 208) = ( 0.0000000 0.4852941 0.5000000), wk = 0.0024814 k( 209) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0024814 k( 210) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0024814 k( 211) = ( 0.0147059 0.5000000 0.5000000), wk = 0.0024814 k( 212) = ( 0.0294118 0.5000000 0.5000000), wk = 0.0024814 k( 213) = ( 0.0441177 0.5000000 0.5000000), wk = 0.0024814 k( 214) = ( 0.0588235 0.5000000 0.5000000), wk = 0.0024814 k( 215) = ( 0.0735294 0.5000000 0.5000000), wk = 0.0024814 k( 216) = ( 0.0882353 0.5000000 0.5000000), wk = 0.0024814 k( 217) = ( 0.1029412 0.5000000 0.5000000), wk = 0.0024814 k( 218) = ( 0.1176471 0.5000000 0.5000000), wk = 0.0024814 k( 219) = ( 0.1323529 0.5000000 0.5000000), wk = 0.0024814 k( 220) = ( 0.1470588 0.5000000 0.5000000), wk = 0.0024814 k( 221) = ( 0.1617647 0.5000000 0.5000000), wk = 0.0024814 k( 222) = ( 0.1764706 0.5000000 0.5000000), wk = 0.0024814 k( 223) = ( 0.1911765 0.5000000 0.5000000), wk = 0.0024814 k( 224) = ( 0.2058823 0.5000000 0.5000000), wk = 0.0024814 k( 225) = ( 0.2205882 0.5000000 0.5000000), wk = 0.0024814 k( 226) = ( 0.2352941 0.5000000 0.5000000), wk = 0.0024814 k( 227) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0024814 k( 228) = ( 0.2647059 0.5000000 0.5000000), wk = 0.0024814 k( 229) = ( 0.2794118 0.5000000 0.5000000), wk = 0.0024814 k( 230) = ( 0.2941177 0.5000000 0.5000000), wk = 0.0024814 k( 231) = ( 0.3088235 0.5000000 0.5000000), wk = 0.0024814 k( 232) = ( 0.3235294 0.5000000 0.5000000), wk = 0.0024814 k( 233) = ( 0.3382353 0.5000000 0.5000000), wk = 0.0024814 k( 234) = ( 0.3529412 0.5000000 0.5000000), wk = 0.0024814 k( 235) = ( 0.3676471 0.5000000 0.5000000), wk = 0.0024814 k( 236) = ( 0.3823529 0.5000000 0.5000000), wk = 0.0024814 k( 237) = ( 0.3970588 0.5000000 0.5000000), wk = 0.0024814 k( 238) = ( 0.4117647 0.5000000 0.5000000), wk = 0.0024814 k( 239) = ( 0.4264706 0.5000000 0.5000000), wk = 0.0024814 k( 240) = ( 0.4411765 0.5000000 0.5000000), wk = 0.0024814 k( 241) = ( 0.4558823 0.5000000 0.5000000), wk = 0.0024814 k( 242) = ( 0.4705882 0.5000000 0.5000000), wk = 0.0024814 k( 243) = ( 0.4852941 0.5000000 0.5000000), wk = 0.0024814 k( 244) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024814 k( 245) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024814 k( 246) = ( 0.4895833 0.4895833 0.5000000), wk = 0.0024814 k( 247) = ( 0.4791667 0.4791667 0.5000000), wk = 0.0024814 k( 248) = ( 0.4687500 0.4687500 0.5000000), wk = 0.0024814 k( 249) = ( 0.4583333 0.4583333 0.5000000), wk = 0.0024814 k( 250) = ( 0.4479167 0.4479167 0.5000000), wk = 0.0024814 k( 251) = ( 0.4375000 0.4375000 0.5000000), wk = 0.0024814 k( 252) = ( 0.4270833 0.4270833 0.5000000), wk = 0.0024814 k( 253) = ( 0.4166667 0.4166667 0.5000000), wk = 0.0024814 k( 254) = ( 0.4062500 0.4062500 0.5000000), wk = 0.0024814 k( 255) = ( 0.3958333 0.3958333 0.5000000), wk = 0.0024814 k( 256) = ( 0.3854167 0.3854167 0.5000000), wk = 0.0024814 k( 257) = ( 0.3750000 0.3750000 0.5000000), wk = 0.0024814 k( 258) = ( 0.3645833 0.3645833 0.5000000), wk = 0.0024814 k( 259) = ( 0.3541667 0.3541667 0.5000000), wk = 0.0024814 k( 260) = ( 0.3437500 0.3437500 0.5000000), wk = 0.0024814 k( 261) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0024814 k( 262) = ( 0.3229167 0.3229167 0.5000000), wk = 0.0024814 k( 263) = ( 0.3125000 0.3125000 0.5000000), wk = 0.0024814 k( 264) = ( 0.3020833 0.3020833 0.5000000), wk = 0.0024814 k( 265) = ( 0.2916667 0.2916667 0.5000000), wk = 0.0024814 k( 266) = ( 0.2812500 0.2812500 0.5000000), wk = 0.0024814 k( 267) = ( 0.2708333 0.2708333 0.5000000), wk = 0.0024814 k( 268) = ( 0.2604167 0.2604167 0.5000000), wk = 0.0024814 k( 269) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0024814 k( 270) = ( 0.2395833 0.2395833 0.5000000), wk = 0.0024814 k( 271) = ( 0.2291667 0.2291667 0.5000000), wk = 0.0024814 k( 272) = ( 0.2187500 0.2187500 0.5000000), wk = 0.0024814 k( 273) = ( 0.2083333 0.2083333 0.5000000), wk = 0.0024814 k( 274) = ( 0.1979167 0.1979167 0.5000000), wk = 0.0024814 k( 275) = ( 0.1875000 0.1875000 0.5000000), wk = 0.0024814 k( 276) = ( 0.1770833 0.1770833 0.5000000), wk = 0.0024814 k( 277) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0024814 k( 278) = ( 0.1562500 0.1562500 0.5000000), wk = 0.0024814 k( 279) = ( 0.1458333 0.1458333 0.5000000), wk = 0.0024814 k( 280) = ( 0.1354167 0.1354167 0.5000000), wk = 0.0024814 k( 281) = ( 0.1250000 0.1250000 0.5000000), wk = 0.0024814 k( 282) = ( 0.1145833 0.1145833 0.5000000), wk = 0.0024814 k( 283) = ( 0.1041667 0.1041667 0.5000000), wk = 0.0024814 k( 284) = ( 0.0937500 0.0937500 0.5000000), wk = 0.0024814 k( 285) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0024814 k( 286) = ( 0.0729167 0.0729167 0.5000000), wk = 0.0024814 k( 287) = ( 0.0625000 0.0625000 0.5000000), wk = 0.0024814 k( 288) = ( 0.0520833 0.0520833 0.5000000), wk = 0.0024814 k( 289) = ( 0.0416667 0.0416667 0.5000000), wk = 0.0024814 k( 290) = ( 0.0312500 0.0312500 0.5000000), wk = 0.0024814 k( 291) = ( 0.0208333 0.0208333 0.5000000), wk = 0.0024814 k( 292) = ( 0.0104167 0.0104167 0.5000000), wk = 0.0024814 k( 293) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024814 k( 294) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0024814 k( 295) = ( 0.0000000 0.5000000 0.0092593), wk = 0.0024814 k( 296) = ( 0.0000000 0.5000000 0.0185185), wk = 0.0024814 k( 297) = ( 0.0000000 0.5000000 0.0277778), wk = 0.0024814 k( 298) = ( 0.0000000 0.5000000 0.0370370), wk = 0.0024814 k( 299) = ( 0.0000000 0.5000000 0.0462963), wk = 0.0024814 k( 300) = ( 0.0000000 0.5000000 0.0555556), wk = 0.0024814 k( 301) = ( 0.0000000 0.5000000 0.0648148), wk = 0.0024814 k( 302) = ( 0.0000000 0.5000000 0.0740741), wk = 0.0024814 k( 303) = ( 0.0000000 0.5000000 0.0833333), wk = 0.0024814 k( 304) = ( 0.0000000 0.5000000 0.0925926), wk = 0.0024814 k( 305) = ( 0.0000000 0.5000000 0.1018518), wk = 0.0024814 k( 306) = ( 0.0000000 0.5000000 0.1111111), wk = 0.0024814 k( 307) = ( 0.0000000 0.5000000 0.1203704), wk = 0.0024814 k( 308) = ( 0.0000000 0.5000000 0.1296296), wk = 0.0024814 k( 309) = ( 0.0000000 0.5000000 0.1388889), wk = 0.0024814 k( 310) = ( 0.0000000 0.5000000 0.1481482), wk = 0.0024814 k( 311) = ( 0.0000000 0.5000000 0.1574074), wk = 0.0024814 k( 312) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0024814 k( 313) = ( 0.0000000 0.5000000 0.1759259), wk = 0.0024814 k( 314) = ( 0.0000000 0.5000000 0.1851852), wk = 0.0024814 k( 315) = ( 0.0000000 0.5000000 0.1944444), wk = 0.0024814 k( 316) = ( 0.0000000 0.5000000 0.2037037), wk = 0.0024814 k( 317) = ( 0.0000000 0.5000000 0.2129630), wk = 0.0024814 k( 318) = ( 0.0000000 0.5000000 0.2222222), wk = 0.0024814 k( 319) = ( 0.0000000 0.5000000 0.2314815), wk = 0.0024814 k( 320) = ( 0.0000000 0.5000000 0.2407407), wk = 0.0024814 k( 321) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0024814 k( 322) = ( 0.0000000 0.5000000 0.2592593), wk = 0.0024814 k( 323) = ( 0.0000000 0.5000000 0.2685185), wk = 0.0024814 k( 324) = ( 0.0000000 0.5000000 0.2777778), wk = 0.0024814 k( 325) = ( 0.0000000 0.5000000 0.2870370), wk = 0.0024814 k( 326) = ( 0.0000000 0.5000000 0.2962963), wk = 0.0024814 k( 327) = ( 0.0000000 0.5000000 0.3055556), wk = 0.0024814 k( 328) = ( 0.0000000 0.5000000 0.3148148), wk = 0.0024814 k( 329) = ( 0.0000000 0.5000000 0.3240741), wk = 0.0024814 k( 330) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0024814 k( 331) = ( 0.0000000 0.5000000 0.3425926), wk = 0.0024814 k( 332) = ( 0.0000000 0.5000000 0.3518519), wk = 0.0024814 k( 333) = ( 0.0000000 0.5000000 0.3611111), wk = 0.0024814 k( 334) = ( 0.0000000 0.5000000 0.3703704), wk = 0.0024814 k( 335) = ( 0.0000000 0.5000000 0.3796296), wk = 0.0024814 k( 336) = ( 0.0000000 0.5000000 0.3888889), wk = 0.0024814 k( 337) = ( 0.0000000 0.5000000 0.3981481), wk = 0.0024814 k( 338) = ( 0.0000000 0.5000000 0.4074074), wk = 0.0024814 k( 339) = ( 0.0000000 0.5000000 0.4166667), wk = 0.0024814 k( 340) = ( 0.0000000 0.5000000 0.4259259), wk = 0.0024814 k( 341) = ( 0.0000000 0.5000000 0.4351852), wk = 0.0024814 k( 342) = ( 0.0000000 0.5000000 0.4444444), wk = 0.0024814 k( 343) = ( 0.0000000 0.5000000 0.4537037), wk = 0.0024814 k( 344) = ( 0.0000000 0.5000000 0.4629630), wk = 0.0024814 k( 345) = ( 0.0000000 0.5000000 0.4722222), wk = 0.0024814 k( 346) = ( 0.0000000 0.5000000 0.4814815), wk = 0.0024814 k( 347) = ( 0.0000000 0.5000000 0.4907407), wk = 0.0024814 k( 348) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0024814 k( 349) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0024814 k( 350) = ( 0.5000000 0.5000000 0.0092593), wk = 0.0024814 k( 351) = ( 0.5000000 0.5000000 0.0185185), wk = 0.0024814 k( 352) = ( 0.5000000 0.5000000 0.0277778), wk = 0.0024814 k( 353) = ( 0.5000000 0.5000000 0.0370370), wk = 0.0024814 k( 354) = ( 0.5000000 0.5000000 0.0462963), wk = 0.0024814 k( 355) = ( 0.5000000 0.5000000 0.0555556), wk = 0.0024814 k( 356) = ( 0.5000000 0.5000000 0.0648148), wk = 0.0024814 k( 357) = ( 0.5000000 0.5000000 0.0740741), wk = 0.0024814 k( 358) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0024814 k( 359) = ( 0.5000000 0.5000000 0.0925926), wk = 0.0024814 k( 360) = ( 0.5000000 0.5000000 0.1018518), wk = 0.0024814 k( 361) = ( 0.5000000 0.5000000 0.1111111), wk = 0.0024814 k( 362) = ( 0.5000000 0.5000000 0.1203704), wk = 0.0024814 k( 363) = ( 0.5000000 0.5000000 0.1296296), wk = 0.0024814 k( 364) = ( 0.5000000 0.5000000 0.1388889), wk = 0.0024814 k( 365) = ( 0.5000000 0.5000000 0.1481482), wk = 0.0024814 k( 366) = ( 0.5000000 0.5000000 0.1574074), wk = 0.0024814 k( 367) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0024814 k( 368) = ( 0.5000000 0.5000000 0.1759259), wk = 0.0024814 k( 369) = ( 0.5000000 0.5000000 0.1851852), wk = 0.0024814 k( 370) = ( 0.5000000 0.5000000 0.1944444), wk = 0.0024814 k( 371) = ( 0.5000000 0.5000000 0.2037037), wk = 0.0024814 k( 372) = ( 0.5000000 0.5000000 0.2129630), wk = 0.0024814 k( 373) = ( 0.5000000 0.5000000 0.2222222), wk = 0.0024814 k( 374) = ( 0.5000000 0.5000000 0.2314815), wk = 0.0024814 k( 375) = ( 0.5000000 0.5000000 0.2407407), wk = 0.0024814 k( 376) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0024814 k( 377) = ( 0.5000000 0.5000000 0.2592593), wk = 0.0024814 k( 378) = ( 0.5000000 0.5000000 0.2685185), wk = 0.0024814 k( 379) = ( 0.5000000 0.5000000 0.2777778), wk = 0.0024814 k( 380) = ( 0.5000000 0.5000000 0.2870370), wk = 0.0024814 k( 381) = ( 0.5000000 0.5000000 0.2962963), wk = 0.0024814 k( 382) = ( 0.5000000 0.5000000 0.3055556), wk = 0.0024814 k( 383) = ( 0.5000000 0.5000000 0.3148148), wk = 0.0024814 k( 384) = ( 0.5000000 0.5000000 0.3240741), wk = 0.0024814 k( 385) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0024814 k( 386) = ( 0.5000000 0.5000000 0.3425926), wk = 0.0024814 k( 387) = ( 0.5000000 0.5000000 0.3518519), wk = 0.0024814 k( 388) = ( 0.5000000 0.5000000 0.3611111), wk = 0.0024814 k( 389) = ( 0.5000000 0.5000000 0.3703704), wk = 0.0024814 k( 390) = ( 0.5000000 0.5000000 0.3796296), wk = 0.0024814 k( 391) = ( 0.5000000 0.5000000 0.3888889), wk = 0.0024814 k( 392) = ( 0.5000000 0.5000000 0.3981481), wk = 0.0024814 k( 393) = ( 0.5000000 0.5000000 0.4074074), wk = 0.0024814 k( 394) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0024814 k( 395) = ( 0.5000000 0.5000000 0.4259259), wk = 0.0024814 k( 396) = ( 0.5000000 0.5000000 0.4351852), wk = 0.0024814 k( 397) = ( 0.5000000 0.5000000 0.4444444), wk = 0.0024814 k( 398) = ( 0.5000000 0.5000000 0.4537037), wk = 0.0024814 k( 399) = ( 0.5000000 0.5000000 0.4629630), wk = 0.0024814 k( 400) = ( 0.5000000 0.5000000 0.4722222), wk = 0.0024814 k( 401) = ( 0.5000000 0.5000000 0.4814815), wk = 0.0024814 k( 402) = ( 0.5000000 0.5000000 0.4907407), wk = 0.0024814 k( 403) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024814 Dense grid: 65801 G-vectors FFT dimensions: ( 60, 60, 40) Smooth grid: 16499 G-vectors FFT dimensions: ( 40, 40, 24) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.08 Mb ( 120, 42) NL pseudopotentials 0.09 Mb ( 60, 102) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1829) G-vector shells 0.01 Mb ( 867) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.31 Mb ( 120, 168) Each subspace H/S matrix 0.03 Mb ( 42, 42) Each matrix 0.13 Mb ( 102, 2, 42) The potential is recalculated from file : ./Hg2Pt.save/charge-density.dat Starting wfc are 54 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.4 secs Computing kpt #: 2 total cpu time spent up to now is 2.8 secs Computing kpt #: 3 total cpu time spent up to now is 3.1 secs Computing kpt #: 4 total cpu time spent up to now is 3.4 secs Computing kpt #: 5 total cpu time spent up to now is 3.7 secs Computing kpt #: 6 total cpu time spent up to now is 4.0 secs Computing kpt #: 7 total cpu time spent up to now is 4.4 secs Computing kpt #: 8 total cpu time spent up to now is 4.7 secs Computing kpt #: 9 total cpu time spent up to now is 5.1 secs Computing kpt #: 10 total cpu time spent up to now is 5.4 secs Computing kpt #: 11 total cpu time spent up to now is 5.8 secs Computing kpt #: 12 total cpu time spent up to now is 6.2 secs Computing kpt #: 13 total cpu time spent up to now is 6.6 secs Computing kpt #: 14 total cpu time spent up to now is 7.0 secs Computing kpt #: 15 total cpu time spent up to now is 7.4 secs Computing kpt #: 16 total cpu time spent up to now is 7.8 secs Computing kpt #: 17 total cpu time spent up to now is 8.1 secs Computing kpt #: 18 total cpu time spent up to now is 8.5 secs Computing kpt #: 19 total cpu time spent up to now is 8.9 secs Computing kpt #: 20 total cpu time spent up to now is 9.4 secs Computing kpt #: 21 total cpu time spent up to now is 9.8 secs Computing kpt #: 22 total cpu time spent up to now is 10.1 secs Computing kpt #: 23 total cpu time spent up to now is 10.4 secs Computing kpt #: 24 total cpu time spent up to now is 10.7 secs Computing kpt #: 25 total cpu time spent up to now is 11.1 secs Computing kpt #: 26 total cpu time spent up to now is 11.4 secs Computing kpt #: 27 total cpu time spent up to now is 11.7 secs Computing kpt #: 28 total cpu time spent up to now is 12.0 secs Computing kpt #: 29 total cpu time spent up to now is 12.3 secs Computing kpt #: 30 total cpu time spent up to now is 12.6 secs Computing kpt #: 31 total cpu time spent up to now is 12.9 secs Computing kpt #: 32 total cpu time spent up to now is 13.2 secs Computing kpt #: 33 total cpu time spent up to now is 13.5 secs Computing kpt #: 34 total cpu time spent up to now is 13.8 secs Computing kpt #: 35 total cpu time spent up to now is 14.1 secs Computing kpt #: 36 total cpu time spent up to now is 14.4 secs Computing kpt #: 37 total cpu time spent up to now is 14.7 secs Computing kpt #: 38 total cpu time spent up to now is 15.1 secs Computing kpt #: 39 total cpu time spent up to now is 15.4 secs Computing kpt #: 40 total cpu time spent up to now is 15.7 secs Computing kpt #: 41 total cpu time spent up to now is 16.0 secs Computing kpt #: 42 total cpu time spent up to now is 16.3 secs Computing kpt #: 43 total cpu time spent up to now is 16.6 secs Computing kpt #: 44 total cpu time spent up to now is 16.9 secs Computing kpt #: 45 total cpu time spent up to now is 17.2 secs Computing kpt #: 46 total cpu time spent up to now is 17.5 secs Computing kpt #: 47 total cpu time spent up to now is 17.9 secs Computing kpt #: 48 total cpu time spent up to now is 18.2 secs Computing kpt #: 49 total cpu time spent up to now is 18.5 secs Computing kpt #: 50 total cpu time spent up to now is 18.8 secs Computing kpt #: 51 total cpu time spent up to now is 19.1 secs Computing kpt #: 52 total cpu time spent up to now is 19.5 secs Computing kpt #: 53 total cpu time spent up to now is 19.8 secs Computing kpt #: 54 total cpu time spent up to now is 20.1 secs Computing kpt #: 55 total cpu time spent up to now is 20.5 secs Computing kpt #: 56 total cpu time spent up to now is 20.8 secs Computing kpt #: 57 total cpu time spent up to now is 21.2 secs Computing kpt #: 58 total cpu time spent up to now is 21.5 secs Computing kpt #: 59 total cpu time spent up to now is 21.9 secs Computing kpt #: 60 total cpu time spent up to now is 22.2 secs Computing kpt #: 61 total cpu time spent up to now is 22.6 secs Computing kpt #: 62 total cpu time spent up to now is 23.0 secs Computing kpt #: 63 total cpu time spent up to now is 23.4 secs Computing kpt #: 64 total cpu time spent up to now is 23.8 secs Computing kpt #: 65 total cpu time spent up to now is 24.2 secs Computing kpt #: 66 total cpu time spent up to now is 24.6 secs Computing kpt #: 67 total cpu time spent up to now is 25.1 secs Computing kpt #: 68 total cpu time spent up to now is 25.6 secs Computing kpt #: 69 total cpu time spent up to now is 26.1 secs Computing kpt #: 70 total cpu time spent up to now is 26.5 secs Computing kpt #: 71 total cpu time spent up to now is 26.9 secs Computing kpt #: 72 total cpu time spent up to now is 27.4 secs Computing kpt #: 73 total cpu time spent up to now is 27.9 secs Computing kpt #: 74 total cpu time spent up to now is 28.4 secs Computing kpt #: 75 total cpu time spent up to now is 28.9 secs Computing kpt #: 76 total cpu time spent up to now is 29.4 secs Computing kpt #: 77 total cpu time spent up to now is 29.9 secs Computing kpt #: 78 total cpu time spent up to now is 30.3 secs Computing kpt #: 79 total cpu time spent up to now is 30.8 secs Computing kpt #: 80 total cpu time spent up to now is 31.3 secs Computing kpt #: 81 total cpu time spent up to now is 31.8 secs Computing kpt #: 82 total cpu time spent up to now is 32.3 secs Computing kpt #: 83 total cpu time spent up to now is 32.8 secs Computing kpt #: 84 total cpu time spent up to now is 33.3 secs Computing kpt #: 85 total cpu time spent up to now is 33.8 secs Computing kpt #: 86 total cpu time spent up to now is 34.2 secs Computing kpt #: 87 total cpu time spent up to now is 34.7 secs Computing kpt #: 88 total cpu time spent up to now is 35.2 secs Computing kpt #: 89 total cpu time spent up to now is 35.7 secs Computing kpt #: 90 total cpu time spent up to now is 36.2 secs Computing kpt #: 91 total cpu time spent up to now is 36.7 secs Computing kpt #: 92 total cpu time spent up to now is 37.2 secs Computing kpt #: 93 total cpu time spent up to now is 37.6 secs Computing kpt #: 94 total cpu time spent up to now is 38.1 secs Computing kpt #: 95 total cpu time spent up to now is 38.6 secs Computing kpt #: 96 total cpu time spent up to now is 39.0 secs Computing kpt #: 97 total cpu time spent up to now is 39.4 secs Computing kpt #: 98 total cpu time spent up to now is 39.9 secs Computing kpt #: 99 total cpu time spent up to now is 40.3 secs Computing kpt #: 100 total cpu time spent up to now is 40.7 secs Computing kpt #: 101 total cpu time spent up to now is 41.1 secs Computing kpt #: 102 total cpu time spent up to now is 41.5 secs Computing kpt #: 103 total cpu time spent up to now is 41.9 secs Computing kpt #: 104 total cpu time spent up to now is 42.3 secs Computing kpt #: 105 total cpu time spent up to now is 42.6 secs Computing kpt #: 106 total cpu time spent up to now is 43.0 secs Computing kpt #: 107 total cpu time spent up to now is 43.4 secs Computing kpt #: 108 total cpu time spent up to now is 43.8 secs Computing kpt #: 109 total cpu time spent up to now is 44.1 secs Computing kpt #: 110 total cpu time spent up to now is 44.5 secs Computing kpt #: 111 total cpu time spent up to now is 44.8 secs Computing kpt #: 112 total cpu time spent up to now is 45.2 secs Computing kpt #: 113 total cpu time spent up to now is 45.5 secs Computing kpt #: 114 total cpu time spent up to now is 45.8 secs Computing kpt #: 115 total cpu time spent up to now is 46.2 secs Computing kpt #: 116 total cpu time spent up to now is 46.5 secs Computing kpt #: 117 total cpu time spent up to now is 46.8 secs Computing kpt #: 118 total cpu time spent up to now is 47.1 secs Computing kpt #: 119 total cpu time spent up to now is 47.4 secs Computing kpt #: 120 total cpu time spent up to now is 47.7 secs Computing kpt #: 121 total cpu time spent up to now is 48.0 secs Computing kpt #: 122 total cpu time spent up to now is 48.3 secs Computing kpt #: 123 total cpu time spent up to now is 48.7 secs Computing kpt #: 124 total cpu time spent up to now is 49.0 secs Computing kpt #: 125 total cpu time spent up to now is 49.3 secs Computing kpt #: 126 total cpu time spent up to now is 49.6 secs Computing kpt #: 127 total cpu time spent up to now is 49.9 secs Computing kpt #: 128 total cpu time spent up to now is 50.2 secs Computing kpt #: 129 total cpu time spent up to now is 50.6 secs Computing kpt #: 130 total cpu time spent up to now is 50.9 secs Computing kpt #: 131 total cpu time spent up to now is 51.2 secs Computing kpt #: 132 total cpu time spent up to now is 51.5 secs Computing kpt #: 133 total cpu time spent up to now is 51.9 secs Computing kpt #: 134 total cpu time spent up to now is 52.2 secs Computing kpt #: 135 total cpu time spent up to now is 52.5 secs Computing kpt #: 136 total cpu time spent up to now is 52.8 secs Computing kpt #: 137 total cpu time spent up to now is 53.2 secs Computing kpt #: 138 total cpu time spent up to now is 53.5 secs Computing kpt #: 139 total cpu time spent up to now is 53.9 secs Computing kpt #: 140 total cpu time spent up to now is 54.3 secs Computing kpt #: 141 total cpu time spent up to now is 54.6 secs Computing kpt #: 142 total cpu time spent up to now is 55.0 secs Computing kpt #: 143 total cpu time spent up to now is 55.4 secs Computing kpt #: 144 total cpu time spent up to now is 55.8 secs Computing kpt #: 145 total cpu time spent up to now is 56.1 secs Computing kpt #: 146 total cpu time spent up to now is 56.5 secs Computing kpt #: 147 total cpu time spent up to now is 56.8 secs Computing kpt #: 148 total cpu time spent up to now is 57.2 secs Computing kpt #: 149 total cpu time spent up to now is 57.5 secs Computing kpt #: 150 total cpu time spent up to now is 57.9 secs Computing kpt #: 151 total cpu time spent up to now is 58.2 secs Computing kpt #: 152 total cpu time spent up to now is 58.6 secs Computing kpt #: 153 total cpu time spent up to now is 58.9 secs Computing kpt #: 154 total cpu time spent up to now is 59.2 secs Computing kpt #: 155 total cpu time spent up to now is 59.5 secs Computing kpt #: 156 total cpu time spent up to now is 59.9 secs Computing kpt #: 157 total cpu time spent up to now is 60.2 secs Computing kpt #: 158 total cpu time spent up to now is 60.5 secs Computing kpt #: 159 total cpu time spent up to now is 60.9 secs Computing kpt #: 160 total cpu time spent up to now is 61.3 secs Computing kpt #: 161 total cpu time spent up to now is 61.6 secs Computing kpt #: 162 total cpu time spent up to now is 62.0 secs Computing kpt #: 163 total cpu time spent up to now is 62.3 secs Computing kpt #: 164 total cpu time spent up to now is 62.7 secs Computing kpt #: 165 total cpu time spent up to now is 63.2 secs Computing kpt #: 166 total cpu time spent up to now is 63.7 secs Computing kpt #: 167 total cpu time spent up to now is 64.3 secs Computing kpt #: 168 total cpu time spent up to now is 64.8 secs Computing kpt #: 169 total cpu time spent up to now is 65.3 secs Computing kpt #: 170 total cpu time spent up to now is 65.9 secs Computing kpt #: 171 total cpu time spent up to now is 66.4 secs Computing kpt #: 172 total cpu time spent up to now is 66.9 secs Computing kpt #: 173 total cpu time spent up to now is 67.4 secs Computing kpt #: 174 total cpu time spent up to now is 67.9 secs Computing kpt #: 175 total cpu time spent up to now is 68.4 secs Computing kpt #: 176 total cpu time spent up to now is 68.9 secs Computing kpt #: 177 total cpu time spent up to now is 69.4 secs Computing kpt #: 178 total cpu time spent up to now is 69.9 secs Computing kpt #: 179 total cpu time spent up to now is 70.4 secs Computing kpt #: 180 total cpu time spent up to now is 70.9 secs Computing kpt #: 181 total cpu time spent up to now is 71.5 secs Computing kpt #: 182 total cpu time spent up to now is 72.0 secs Computing kpt #: 183 total cpu time spent up to now is 72.5 secs Computing kpt #: 184 total cpu time spent up to now is 73.1 secs Computing kpt #: 185 total cpu time spent up to now is 73.6 secs Computing kpt #: 186 total cpu time spent up to now is 74.1 secs Computing kpt #: 187 total cpu time spent up to now is 74.6 secs Computing kpt #: 188 total cpu time spent up to now is 75.1 secs Computing kpt #: 189 total cpu time spent up to now is 75.6 secs Computing kpt #: 190 total cpu time spent up to now is 76.1 secs Computing kpt #: 191 total cpu time spent up to now is 76.6 secs Computing kpt #: 192 total cpu time spent up to now is 77.0 secs Computing kpt #: 193 total cpu time spent up to now is 77.4 secs Computing kpt #: 194 total cpu time spent up to now is 77.9 secs Computing kpt #: 195 total cpu time spent up to now is 78.3 secs Computing kpt #: 196 total cpu time spent up to now is 78.7 secs Computing kpt #: 197 total cpu time spent up to now is 79.1 secs Computing kpt #: 198 total cpu time spent up to now is 79.6 secs Computing kpt #: 199 total cpu time spent up to now is 80.0 secs Computing kpt #: 200 total cpu time spent up to now is 80.5 secs Computing kpt #: 201 total cpu time spent up to now is 81.0 secs Computing kpt #: 202 total cpu time spent up to now is 81.5 secs Computing kpt #: 203 total cpu time spent up to now is 82.0 secs Computing kpt #: 204 total cpu time spent up to now is 82.6 secs Computing kpt #: 205 total cpu time spent up to now is 83.2 secs Computing kpt #: 206 total cpu time spent up to now is 83.7 secs Computing kpt #: 207 total cpu time spent up to now is 84.3 secs Computing kpt #: 208 total cpu time spent up to now is 84.9 secs Computing kpt #: 209 total cpu time spent up to now is 85.5 secs Computing kpt #: 210 total cpu time spent up to now is 86.1 secs Computing kpt #: 211 total cpu time spent up to now is 86.6 secs Computing kpt #: 212 total cpu time spent up to now is 87.1 secs Computing kpt #: 213 total cpu time spent up to now is 87.5 secs Computing kpt #: 214 total cpu time spent up to now is 87.9 secs Computing kpt #: 215 total cpu time spent up to now is 88.3 secs Computing kpt #: 216 total cpu time spent up to now is 88.7 secs Computing kpt #: 217 total cpu time spent up to now is 89.1 secs Computing kpt #: 218 total cpu time spent up to now is 89.5 secs Computing kpt #: 219 total cpu time spent up to now is 89.8 secs Computing kpt #: 220 total cpu time spent up to now is 90.2 secs Computing kpt #: 221 total cpu time spent up to now is 90.6 secs Computing kpt #: 222 total cpu time spent up to now is 90.9 secs Computing kpt #: 223 total cpu time spent up to now is 91.3 secs Computing kpt #: 224 total cpu time spent up to now is 91.6 secs Computing kpt #: 225 total cpu time spent up to now is 92.0 secs Computing kpt #: 226 total cpu time spent up to now is 92.4 secs Computing kpt #: 227 total cpu time spent up to now is 92.8 secs Computing kpt #: 228 total cpu time spent up to now is 93.1 secs Computing kpt #: 229 total cpu time spent up to now is 93.5 secs Computing kpt #: 230 total cpu time spent up to now is 93.9 secs Computing kpt #: 231 total cpu time spent up to now is 94.2 secs Computing kpt #: 232 total cpu time spent up to now is 94.6 secs Computing kpt #: 233 total cpu time spent up to now is 94.9 secs Computing kpt #: 234 total cpu time spent up to now is 95.3 secs Computing kpt #: 235 total cpu time spent up to now is 95.7 secs Computing kpt #: 236 total cpu time spent up to now is 96.0 secs Computing kpt #: 237 total cpu time spent up to now is 96.4 secs Computing kpt #: 238 total cpu time spent up to now is 96.7 secs Computing kpt #: 239 total cpu time spent up to now is 97.1 secs Computing kpt #: 240 total cpu time spent up to now is 97.4 secs Computing kpt #: 241 total cpu time spent up to now is 97.8 secs Computing kpt #: 242 total cpu time spent up to now is 98.1 secs Computing kpt #: 243 total cpu time spent up to now is 98.5 secs Computing kpt #: 244 total cpu time spent up to now is 98.8 secs Computing kpt #: 245 total cpu time spent up to now is 99.1 secs Computing kpt #: 246 total cpu time spent up to now is 99.5 secs Computing kpt #: 247 total cpu time spent up to now is 99.8 secs Computing kpt #: 248 total cpu time spent up to now is 100.2 secs Computing kpt #: 249 total cpu time spent up to now is 101.0 secs Computing kpt #: 250 total cpu time spent up to now is 101.3 secs Computing kpt #: 251 total cpu time spent up to now is 101.7 secs Computing kpt #: 252 total cpu time spent up to now is 102.0 secs Computing kpt #: 253 total cpu time spent up to now is 102.3 secs Computing kpt #: 254 total cpu time spent up to now is 102.7 secs Computing kpt #: 255 total cpu time spent up to now is 103.1 secs Computing kpt #: 256 total cpu time spent up to now is 103.5 secs Computing kpt #: 257 total cpu time spent up to now is 103.8 secs Computing kpt #: 258 total cpu time spent up to now is 104.2 secs Computing kpt #: 259 total cpu time spent up to now is 104.6 secs Computing kpt #: 260 total cpu time spent up to now is 105.0 secs Computing kpt #: 261 total cpu time spent up to now is 105.4 secs Computing kpt #: 262 total cpu time spent up to now is 105.8 secs Computing kpt #: 263 total cpu time spent up to now is 106.2 secs Computing kpt #: 264 total cpu time spent up to now is 106.7 secs Computing kpt #: 265 total cpu time spent up to now is 107.1 secs Computing kpt #: 266 total cpu time spent up to now is 107.5 secs Computing kpt #: 267 total cpu time spent up to now is 107.9 secs Computing kpt #: 268 total cpu time spent up to now is 108.3 secs Computing kpt #: 269 total cpu time spent up to now is 108.7 secs Computing kpt #: 270 total cpu time spent up to now is 109.1 secs Computing kpt #: 271 total cpu time spent up to now is 109.5 secs Computing kpt #: 272 total cpu time spent up to now is 109.8 secs Computing kpt #: 273 total cpu time spent up to now is 110.2 secs Computing kpt #: 274 total cpu time spent up to now is 110.6 secs Computing kpt #: 275 total cpu time spent up to now is 111.0 secs Computing kpt #: 276 total cpu time spent up to now is 111.3 secs Computing kpt #: 277 total cpu time spent up to now is 111.7 secs Computing kpt #: 278 total cpu time spent up to now is 112.1 secs Computing kpt #: 279 total cpu time spent up to now is 112.4 secs Computing kpt #: 280 total cpu time spent up to now is 112.8 secs Computing kpt #: 281 total cpu time spent up to now is 113.2 secs Computing kpt #: 282 total cpu time spent up to now is 113.6 secs Computing kpt #: 283 total cpu time spent up to now is 114.1 secs Computing kpt #: 284 total cpu time spent up to now is 114.6 secs Computing kpt #: 285 total cpu time spent up to now is 115.2 secs Computing kpt #: 286 total cpu time spent up to now is 115.7 secs Computing kpt #: 287 total cpu time spent up to now is 116.3 secs Computing kpt #: 288 total cpu time spent up to now is 116.8 secs Computing kpt #: 289 total cpu time spent up to now is 117.3 secs Computing kpt #: 290 total cpu time spent up to now is 117.8 secs Computing kpt #: 291 total cpu time spent up to now is 118.3 secs Computing kpt #: 292 total cpu time spent up to now is 118.8 secs Computing kpt #: 293 total cpu time spent up to now is 119.3 secs Computing kpt #: 294 total cpu time spent up to now is 119.6 secs Computing kpt #: 295 total cpu time spent up to now is 119.9 secs Computing kpt #: 296 total cpu time spent up to now is 120.2 secs Computing kpt #: 297 total cpu time spent up to now is 120.5 secs Computing kpt #: 298 total cpu time spent up to now is 120.8 secs Computing kpt #: 299 total cpu time spent up to now is 121.1 secs Computing kpt #: 300 total cpu time spent up to now is 121.4 secs Computing kpt #: 301 total cpu time spent up to now is 121.7 secs Computing kpt #: 302 total cpu time spent up to now is 122.0 secs Computing kpt #: 303 total cpu time spent up to now is 122.3 secs Computing kpt #: 304 total cpu time spent up to now is 122.7 secs Computing kpt #: 305 total cpu time spent up to now is 123.0 secs Computing kpt #: 306 total cpu time spent up to now is 123.3 secs Computing kpt #: 307 total cpu time spent up to now is 123.6 secs Computing kpt #: 308 total cpu time spent up to now is 123.9 secs Computing kpt #: 309 total cpu time spent up to now is 124.2 secs Computing kpt #: 310 total cpu time spent up to now is 124.6 secs Computing kpt #: 311 total cpu time spent up to now is 124.9 secs Computing kpt #: 312 total cpu time spent up to now is 125.2 secs Computing kpt #: 313 total cpu time spent up to now is 125.5 secs Computing kpt #: 314 total cpu time spent up to now is 125.8 secs Computing kpt #: 315 total cpu time spent up to now is 126.1 secs Computing kpt #: 316 total cpu time spent up to now is 126.5 secs Computing kpt #: 317 total cpu time spent up to now is 126.8 secs Computing kpt #: 318 total cpu time spent up to now is 127.1 secs Computing kpt #: 319 total cpu time spent up to now is 127.4 secs Computing kpt #: 320 total cpu time spent up to now is 127.8 secs Computing kpt #: 321 total cpu time spent up to now is 128.2 secs Computing kpt #: 322 total cpu time spent up to now is 128.5 secs Computing kpt #: 323 total cpu time spent up to now is 129.0 secs Computing kpt #: 324 total cpu time spent up to now is 129.4 secs Computing kpt #: 325 total cpu time spent up to now is 129.8 secs Computing kpt #: 326 total cpu time spent up to now is 130.4 secs Computing kpt #: 327 total cpu time spent up to now is 131.0 secs Computing kpt #: 328 total cpu time spent up to now is 131.5 secs Computing kpt #: 329 total cpu time spent up to now is 132.0 secs Computing kpt #: 330 total cpu time spent up to now is 132.6 secs Computing kpt #: 331 total cpu time spent up to now is 133.1 secs Computing kpt #: 332 total cpu time spent up to now is 133.6 secs Computing kpt #: 333 total cpu time spent up to now is 134.1 secs Computing kpt #: 334 total cpu time spent up to now is 134.6 secs Computing kpt #: 335 total cpu time spent up to now is 135.1 secs Computing kpt #: 336 total cpu time spent up to now is 135.7 secs Computing kpt #: 337 total cpu time spent up to now is 136.2 secs Computing kpt #: 338 total cpu time spent up to now is 136.8 secs Computing kpt #: 339 total cpu time spent up to now is 137.3 secs Computing kpt #: 340 total cpu time spent up to now is 137.8 secs Computing kpt #: 341 total cpu time spent up to now is 138.3 secs Computing kpt #: 342 total cpu time spent up to now is 138.8 secs Computing kpt #: 343 total cpu time spent up to now is 139.3 secs Computing kpt #: 344 total cpu time spent up to now is 139.8 secs Computing kpt #: 345 total cpu time spent up to now is 140.3 secs Computing kpt #: 346 total cpu time spent up to now is 140.8 secs Computing kpt #: 347 total cpu time spent up to now is 141.4 secs Computing kpt #: 348 total cpu time spent up to now is 142.0 secs Computing kpt #: 349 total cpu time spent up to now is 142.4 secs Computing kpt #: 350 total cpu time spent up to now is 142.8 secs Computing kpt #: 351 total cpu time spent up to now is 143.2 secs Computing kpt #: 352 total cpu time spent up to now is 143.6 secs Computing kpt #: 353 total cpu time spent up to now is 144.0 secs Computing kpt #: 354 total cpu time spent up to now is 144.4 secs Computing kpt #: 355 total cpu time spent up to now is 144.8 secs Computing kpt #: 356 total cpu time spent up to now is 145.3 secs Computing kpt #: 357 total cpu time spent up to now is 145.7 secs Computing kpt #: 358 total cpu time spent up to now is 146.1 secs Computing kpt #: 359 total cpu time spent up to now is 146.5 secs Computing kpt #: 360 total cpu time spent up to now is 147.0 secs Computing kpt #: 361 total cpu time spent up to now is 147.4 secs Computing kpt #: 362 total cpu time spent up to now is 147.9 secs Computing kpt #: 363 total cpu time spent up to now is 148.3 secs Computing kpt #: 364 total cpu time spent up to now is 148.8 secs Computing kpt #: 365 total cpu time spent up to now is 149.3 secs Computing kpt #: 366 total cpu time spent up to now is 149.7 secs Computing kpt #: 367 total cpu time spent up to now is 150.1 secs Computing kpt #: 368 total cpu time spent up to now is 150.5 secs Computing kpt #: 369 total cpu time spent up to now is 150.9 secs Computing kpt #: 370 total cpu time spent up to now is 151.3 secs Computing kpt #: 371 total cpu time spent up to now is 151.7 secs Computing kpt #: 372 total cpu time spent up to now is 152.0 secs Computing kpt #: 373 total cpu time spent up to now is 152.4 secs Computing kpt #: 374 total cpu time spent up to now is 152.8 secs Computing kpt #: 375 total cpu time spent up to now is 153.1 secs Computing kpt #: 376 total cpu time spent up to now is 153.5 secs Computing kpt #: 377 total cpu time spent up to now is 153.9 secs Computing kpt #: 378 total cpu time spent up to now is 154.2 secs Computing kpt #: 379 total cpu time spent up to now is 154.6 secs Computing kpt #: 380 total cpu time spent up to now is 155.0 secs Computing kpt #: 381 total cpu time spent up to now is 155.3 secs Computing kpt #: 382 total cpu time spent up to now is 155.7 secs Computing kpt #: 383 total cpu time spent up to now is 156.0 secs Computing kpt #: 384 total cpu time spent up to now is 156.4 secs Computing kpt #: 385 total cpu time spent up to now is 156.8 secs Computing kpt #: 386 total cpu time spent up to now is 157.1 secs Computing kpt #: 387 total cpu time spent up to now is 157.5 secs Computing kpt #: 388 total cpu time spent up to now is 157.8 secs Computing kpt #: 389 total cpu time spent up to now is 158.2 secs Computing kpt #: 390 total cpu time spent up to now is 158.5 secs Computing kpt #: 391 total cpu time spent up to now is 158.9 secs Computing kpt #: 392 total cpu time spent up to now is 159.2 secs Computing kpt #: 393 total cpu time spent up to now is 159.6 secs Computing kpt #: 394 total cpu time spent up to now is 160.0 secs Computing kpt #: 395 total cpu time spent up to now is 160.3 secs Computing kpt #: 396 total cpu time spent up to now is 160.7 secs Computing kpt #: 397 total cpu time spent up to now is 161.0 secs Computing kpt #: 398 total cpu time spent up to now is 161.4 secs Computing kpt #: 399 total cpu time spent up to now is 161.7 secs Computing kpt #: 400 total cpu time spent up to now is 162.1 secs Computing kpt #: 401 total cpu time spent up to now is 162.4 secs Computing kpt #: 402 total cpu time spent up to now is 162.8 secs Computing kpt #: 403 total cpu time spent up to now is 163.1 secs ethr = 2.94E-08, avg # of iterations = 28.9 total cpu time spent up to now is 163.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2079 PWs) bands (ev): 2.7732 2.7732 3.8235 3.8235 3.8834 3.8834 4.2222 4.2222 4.8059 4.8059 5.4878 5.4878 5.8223 5.8223 6.1835 6.1835 6.6163 6.6163 6.9513 6.9513 7.0722 7.0722 8.6294 8.6294 9.0280 9.0280 10.5442 10.5442 11.3939 11.3939 11.8140 11.8140 11.8809 11.8809 12.1548 12.1548 14.6599 14.6599 17.1998 17.1998 18.0379 18.0379 k = 0.0000 0.0147-0.0000 ( 2079 PWs) bands (ev): 2.7747 2.7747 3.8238 3.8238 3.8836 3.8836 4.2227 4.2227 4.8064 4.8064 5.4882 5.4882 5.8227 5.8227 6.1835 6.1835 6.6162 6.6162 6.9512 6.9513 7.0713 7.0713 8.6277 8.6277 9.0271 9.0271 10.5415 10.5415 11.3925 11.3925 11.8008 11.8008 11.8892 11.8892 12.1516 12.1516 14.6693 14.6693 17.2063 17.2063 18.0346 18.0346 k = 0.0000 0.0294-0.0000 ( 2077 PWs) bands (ev): 2.7794 2.7794 3.8248 3.8248 3.8842 3.8842 4.2242 4.2242 4.8079 4.8079 5.4895 5.4895 5.8238 5.8238 6.1835 6.1835 6.6160 6.6160 6.9511 6.9511 7.0684 7.0684 8.6228 8.6228 9.0245 9.0245 10.5337 10.5337 11.3879 11.3879 11.7692 11.7692 11.9044 11.9044 12.1442 12.1442 14.6968 14.6968 17.2259 17.2259 18.0246 18.0246 k = 0.0000 0.0441-0.0000 ( 2073 PWs) bands (ev): 2.7871 2.7871 3.8264 3.8264 3.8852 3.8852 4.2267 4.2267 4.8104 4.8104 5.4916 5.4916 5.8258 5.8258 6.1836 6.1836 6.6156 6.6156 6.9510 6.9510 7.0637 7.0637 8.6146 8.6146 9.0202 9.0202 10.5208 10.5208 11.3797 11.3797 11.7248 11.7248 11.9168 11.9168 12.1394 12.1394 14.7400 14.7400 17.2585 17.2585 18.0083 18.0083 k = 0.0000 0.0588-0.0000 ( 2069 PWs) bands (ev): 2.7979 2.7979 3.8287 3.8287 3.8867 3.8867 4.2302 4.2302 4.8139 4.8139 5.4946 5.4946 5.8285 5.8285 6.1837 6.1837 6.6150 6.6150 6.9507 6.9507 7.0572 7.0572 8.6031 8.6031 9.0142 9.0142 10.5033 10.5033 11.3669 11.3669 11.6685 11.6685 11.9209 11.9209 12.1453 12.1453 14.7958 14.7958 17.3043 17.3043 17.9858 17.9858 k = 0.0000 0.0735-0.0000 ( 2069 PWs) bands (ev): 2.8117 2.8117 3.8316 3.8316 3.8886 3.8886 4.2346 4.2346 4.8183 4.8183 5.4984 5.4984 5.8319 5.8319 6.1838 6.1838 6.6141 6.6141 6.9503 6.9503 7.0490 7.0490 8.5883 8.5883 9.0066 9.0066 10.4814 10.4814 11.3470 11.3470 11.6026 11.6026 11.9154 11.9154 12.1665 12.1665 14.8606 14.8606 17.3630 17.3630 17.9580 17.9580 k = 0.0000 0.0882-0.0000 ( 2069 PWs) bands (ev): 2.8284 2.8284 3.8350 3.8350 3.8909 3.8909 4.2400 4.2400 4.8237 4.8237 5.5030 5.5030 5.8360 5.8360 6.1841 6.1841 6.6130 6.6130 6.9499 6.9499 7.0393 7.0393 8.5700 8.5700 8.9974 8.9974 10.4555 10.4555 11.3150 11.3150 11.5336 11.5336 11.9028 11.9028 12.2021 12.2021 14.9308 14.9308 17.4338 17.4338 17.9259 17.9259 k = 0.0000 0.1029-0.0000 ( 2059 PWs) bands (ev): 2.8479 2.8479 3.8390 3.8390 3.8936 3.8936 4.2463 4.2463 4.8299 4.8299 5.5084 5.5084 5.8406 5.8406 6.1845 6.1845 6.6117 6.6117 6.9492 6.9492 7.0283 7.0283 8.5482 8.5482 8.9866 8.9866 10.4257 10.4257 11.2630 11.2630 11.4723 11.4723 11.8865 11.8865 12.2487 12.2487 15.0033 15.0033 17.5145 17.5145 17.8920 17.8920 k = 0.0000 0.1176-0.0000 ( 2051 PWs) bands (ev): 2.8702 2.8702 3.8435 3.8435 3.8969 3.8969 4.2537 4.2537 4.8371 4.8371 5.5147 5.5147 5.8457 5.8457 6.1850 6.1850 6.6099 6.6099 6.9484 6.9484 7.0163 7.0163 8.5228 8.5228 8.9743 8.9743 10.3921 10.3921 11.1869 11.1869 11.4261 11.4261 11.8687 11.8687 12.3038 12.3038 15.0755 15.0755 17.5976 17.5976 17.8635 17.8635 k = 0.0000 0.1324-0.0000 ( 2051 PWs) bands (ev): 2.8951 2.8951 3.8484 3.8484 3.9007 3.9007 4.2619 4.2619 4.8450 4.8450 5.5217 5.5217 5.8513 5.8513 6.1858 6.1858 6.6078 6.6078 6.9472 6.9472 7.0036 7.0036 8.4937 8.4937 8.9606 8.9606 10.3544 10.3544 11.0933 11.0933 11.3921 11.3921 11.8505 11.8505 12.3653 12.3653 15.1456 15.1456 17.6576 17.6576 17.8646 17.8646 k = 0.0000 0.1471-0.0000 ( 2051 PWs) bands (ev): 2.9225 2.9225 3.8537 3.8537 3.9050 3.9050 4.2711 4.2711 4.8537 4.8537 5.5294 5.5294 5.8571 5.8571 6.1868 6.1868 6.6051 6.6051 6.9453 6.9453 6.9908 6.9908 8.4607 8.4607 8.9456 8.9456 10.3121 10.3121 10.9918 10.9918 11.3640 11.3640 11.8325 11.8325 12.4321 12.4321 15.2122 15.2122 17.6584 17.6584 17.9290 17.9290 k = 0.0000 0.1618-0.0000 ( 2055 PWs) bands (ev): 2.9522 2.9522 3.8593 3.8593 3.9098 3.9098 4.2811 4.2811 4.8631 4.8631 5.5379 5.5379 5.8631 5.8631 6.1882 6.1882 6.6018 6.6018 6.9420 6.9420 6.9788 6.9788 8.4237 8.4237 8.9292 8.9292 10.2642 10.2642 10.8896 10.8896 11.3379 11.3379 11.8149 11.8149 12.5031 12.5031 15.2745 15.2745 17.6196 17.6196 18.0325 18.0325 k = 0.0000 0.1765-0.0000 ( 2055 PWs) bands (ev): 2.9840 2.9840 3.8653 3.8653 3.9151 3.9151 4.2921 4.2921 4.8732 4.8732 5.5472 5.5472 5.8691 5.8691 6.1900 6.1900 6.5979 6.5979 6.9362 6.9362 6.9693 6.9693 8.3824 8.3824 8.9118 8.9118 10.2098 10.2098 10.7918 10.7918 11.3119 11.3119 11.7980 11.7980 12.5776 12.5776 15.3324 15.3324 17.5663 17.5663 18.1399 18.1399 k = 0.0000 0.1912-0.0000 ( 2057 PWs) bands (ev): 3.0177 3.0177 3.8716 3.8716 3.9210 3.9210 4.3040 4.3040 4.8838 4.8838 5.5571 5.5571 5.8751 5.8751 6.1922 6.1922 6.5932 6.5932 6.9270 6.9270 6.9632 6.9632 8.3368 8.3368 8.8932 8.8932 10.1479 10.1479 10.7022 10.7022 11.2851 11.2851 11.7821 11.7821 12.6551 12.6551 15.3857 15.3857 17.5066 17.5066 18.2249 18.2249 k = 0.0000 0.2059-0.0000 ( 2057 PWs) bands (ev): 3.0530 3.0530 3.8782 3.8782 3.9274 3.9274 4.3168 4.3168 4.8948 4.8948 5.5678 5.5678 5.8808 5.8808 6.1950 6.1950 6.5876 6.5876 6.9153 6.9153 6.9599 6.9599 8.2865 8.2865 8.8737 8.8737 10.0783 10.0783 10.6230 10.6230 11.2572 11.2572 11.7672 11.7672 12.7350 12.7350 15.4348 15.4348 17.4435 17.4435 18.2631 18.2631 k = 0.0000 0.2206-0.0000 ( 2061 PWs) bands (ev): 3.0896 3.0896 3.8851 3.8851 3.9343 3.9343 4.3304 4.3304 4.9062 4.9062 5.5793 5.5793 5.8861 5.8861 6.1983 6.1983 6.5811 6.5811 6.9026 6.9026 6.9583 6.9583 8.2315 8.2315 8.8534 8.8534 10.0020 10.0020 10.5550 10.5550 11.2281 11.2281 11.7533 11.7533 12.8167 12.8167 15.4800 15.4800 17.3783 17.3783 18.2485 18.2485 k = 0.0000 0.2353-0.0000 ( 2063 PWs) bands (ev): 3.1273 3.1273 3.8924 3.8924 3.9416 3.9416 4.3450 4.3450 4.9178 4.9178 5.5914 5.5914 5.8910 5.8910 6.2023 6.2023 6.5735 6.5735 6.8901 6.8901 6.9575 6.9575 8.1716 8.1716 8.8325 8.8325 9.9207 9.9207 10.4976 10.4976 11.1979 11.1979 11.7406 11.7406 12.8998 12.8998 15.5219 15.5219 17.3122 17.3122 18.1967 18.1967 k = 0.0000 0.2500-0.0000 ( 2062 PWs) bands (ev): 3.1657 3.1657 3.9000 3.9000 3.9493 3.9493 4.3604 4.3604 4.9295 4.9295 5.6044 5.6044 5.8953 5.8953 6.2069 6.2069 6.5650 6.5650 6.8782 6.8782 6.9573 6.9573 8.1069 8.1069 8.8110 8.8110 9.8373 9.8373 10.4492 10.4492 11.1668 11.1668 11.7291 11.7291 12.9838 12.9838 15.5609 15.5609 17.2458 17.2458 18.1241 18.1241 k = 0.0000 0.2647-0.0000 ( 2060 PWs) bands (ev): 3.2043 3.2043 3.9081 3.9081 3.9572 3.9572 4.3768 4.3768 4.9410 4.9410 5.6181 5.6181 5.8991 5.8991 6.2121 6.2121 6.5554 6.5554 6.8672 6.8672 6.9575 6.9575 8.0374 8.0374 8.7891 8.7891 9.7541 9.7541 10.4081 10.4081 11.1350 11.1350 11.7186 11.7186 13.0683 13.0683 15.5976 15.5976 17.1797 17.1797 18.0407 18.0407 k = 0.0000 0.2794-0.0000 ( 2060 PWs) bands (ev): 3.2428 3.2428 3.9166 3.9166 3.9653 3.9653 4.3941 4.3941 4.9523 4.9523 5.6327 5.6327 5.9022 5.9022 6.2178 6.2178 6.5451 6.5451 6.8573 6.8573 6.9580 6.9580 7.9633 7.9633 8.7670 8.7670 9.6732 9.6732 10.3730 10.3730 11.1029 11.1029 11.7091 11.7091 13.1527 13.1527 15.6325 15.6325 17.1144 17.1144 17.9515 17.9515 k = 0.0000 0.2941-0.0000 ( 2052 PWs) bands (ev): 3.2806 3.2806 3.9257 3.9257 3.9735 3.9735 4.4123 4.4123 4.9630 4.9630 5.6482 5.6482 5.9047 5.9047 6.2240 6.2240 6.5340 6.5340 6.8486 6.8486 6.9588 6.9588 7.8852 7.8852 8.7450 8.7450 9.5964 9.5964 10.3425 10.3425 11.0708 11.0708 11.7007 11.7007 13.2365 13.2365 15.6659 15.6659 17.0503 17.0503 17.8597 17.8597 k = 0.0000 0.3088-0.0000 ( 2052 PWs) bands (ev): 3.3174 3.3174 3.9353 3.9353 3.9817 3.9817 4.4315 4.4315 4.9730 4.9730 5.6648 5.6648 5.9067 5.9067 6.2306 6.2306 6.5225 6.5225 6.8410 6.8410 6.9597 6.9597 7.8035 7.8035 8.7231 8.7231 9.5245 9.5245 10.3158 10.3158 11.0391 11.0391 11.6931 11.6931 13.3192 13.3192 15.6985 15.6985 16.9877 16.9877 17.7669 17.7669 k = 0.0000 0.3235-0.0000 ( 2056 PWs) bands (ev): 3.3527 3.3527 3.9455 3.9455 3.9898 3.9898 4.4517 4.4517 4.9820 4.9820 5.6823 5.6823 5.9082 5.9082 6.2374 6.2374 6.5107 6.5107 6.8344 6.8344 6.9609 6.9609 7.7191 7.7191 8.7016 8.7016 9.4583 9.4583 10.2923 10.2923 11.0082 11.0082 11.6863 11.6863 13.4003 13.4003 15.7304 15.7304 16.9269 16.9269 17.6744 17.6744 k = 0.0000 0.3382-0.0000 ( 2048 PWs) bands (ev): 3.3859 3.3859 3.9561 3.9561 3.9976 3.9976 4.4728 4.4728 4.9898 4.9898 5.7011 5.7011 5.9095 5.9095 6.2443 6.2443 6.4990 6.4990 6.8287 6.8287 6.9622 6.9622 7.6330 7.6330 8.6807 8.6807 9.3981 9.3981 10.2715 10.2715 10.9784 10.9784 11.6803 11.6803 13.4790 13.4790 15.7622 15.7622 16.8681 16.8681 17.5835 17.5835 k = 0.0000 0.3529-0.0000 ( 2044 PWs) bands (ev): 3.4169 3.4169 3.9671 3.9671 4.0052 4.0052 4.4948 4.4948 4.9960 4.9960 5.7210 5.7210 5.9105 5.9105 6.2511 6.2511 6.4876 6.4876 6.8236 6.8236 6.9637 6.9637 7.5464 7.5464 8.6607 8.6607 9.3440 9.3440 10.2531 10.2531 10.9500 10.9500 11.6751 11.6751 13.5547 13.5547 15.7942 15.7942 16.8113 16.8113 17.4950 17.4950 k = 0.0000 0.3676-0.0000 ( 2038 PWs) bands (ev): 3.4451 3.4451 3.9784 3.9784 4.0123 4.0123 4.5175 4.5175 5.0005 5.0005 5.7420 5.7420 5.9116 5.9116 6.2576 6.2576 6.4766 6.4766 6.8190 6.8190 6.9652 6.9652 7.4605 7.4605 8.6418 8.6418 9.2958 9.2958 10.2369 10.2369 10.9233 10.9233 11.6704 11.6704 13.6268 13.6268 15.8265 15.8265 16.7567 16.7567 17.4099 17.4099 k = 0.0000 0.3824-0.0000 ( 2048 PWs) bands (ev): 3.4704 3.4704 3.9895 3.9895 4.0190 4.0190 4.5407 4.5407 5.0032 5.0032 5.7641 5.7641 5.9129 5.9129 6.2639 6.2639 6.4662 6.4662 6.8145 6.8145 6.9666 6.9666 7.3768 7.3768 8.6241 8.6241 9.2534 9.2534 10.2226 10.2226 10.8986 10.8986 11.6664 11.6664 13.6944 13.6944 15.8594 15.8594 16.7041 16.7041 17.3293 17.3293 k = 0.0000 0.3971-0.0000 ( 2056 PWs) bands (ev): 3.4925 3.4925 4.0004 4.0004 4.0251 4.0251 4.5641 4.5641 5.0040 5.0040 5.7867 5.7867 5.9145 5.9145 6.2699 6.2699 6.4565 6.4565 6.8098 6.8098 6.9679 6.9679 7.2971 7.2971 8.6079 8.6079 9.2167 9.2167 10.2102 10.2102 10.8762 10.8762 11.6629 11.6629 13.7567 13.7567 15.8931 15.8931 16.6535 16.6535 17.2543 17.2543 k = 0.0000 0.4118-0.0000 ( 2060 PWs) bands (ev): 3.5116 3.5116 4.0106 4.0106 4.0306 4.0306 4.5871 4.5871 5.0029 5.0029 5.8092 5.8092 5.9168 5.9168 6.2755 6.2755 6.4476 6.4476 6.8047 6.8047 6.9689 6.9689 7.2233 7.2233 8.5934 8.5934 9.1853 9.1853 10.1996 10.1996 10.8563 10.8563 11.6600 11.6600 13.8130 13.8130 15.9273 15.9273 16.6050 16.6050 17.1861 17.1861 k = 0.0000 0.4265-0.0000 ( 2056 PWs) bands (ev): 3.5275 3.5275 4.0199 4.0199 4.0353 4.0353 4.6091 4.6091 5.0003 5.0003 5.8305 5.8305 5.9201 5.9201 6.2809 6.2809 6.4392 6.4392 6.7989 6.7989 6.9694 6.9694 7.1576 7.1576 8.5808 8.5808 9.1592 9.1592 10.1907 10.1907 10.8392 10.8392 11.6575 11.6575 13.8623 13.8623 15.9619 15.9619 16.5587 16.5587 17.1260 17.1260 k = 0.0000 0.4412-0.0000 ( 2056 PWs) bands (ev): 3.5404 3.5404 4.0280 4.0280 4.0393 4.0393 4.6294 4.6294 4.9965 4.9965 5.8492 5.8492 5.9249 5.9249 6.2861 6.2861 6.4315 6.4315 6.7920 6.7920 6.9690 6.9690 7.1025 7.1025 8.5702 8.5702 9.1380 9.1380 10.1835 10.1835 10.8249 10.8249 11.6555 11.6555 13.9040 13.9040 15.9961 15.9961 16.5152 16.5152 17.0750 17.0750 k = 0.0000 0.4559-0.0000 ( 2054 PWs) bands (ev): 3.5502 3.5502 4.0345 4.0345 4.0425 4.0425 4.6468 4.6468 4.9922 4.9922 5.8636 5.8636 5.9313 5.9313 6.2911 6.2911 6.4244 6.4244 6.7843 6.7843 6.9672 6.9672 7.0603 7.0603 8.5619 8.5619 9.1217 9.1217 10.1778 10.1778 10.8137 10.8137 11.6540 11.6540 13.9373 13.9373 16.0284 16.0284 16.4756 16.4756 17.0343 17.0343 k = 0.0000 0.4706-0.0000 ( 2054 PWs) bands (ev): 3.5572 3.5572 4.0393 4.0393 4.0447 4.0447 4.6604 4.6604 4.9883 4.9883 5.8732 5.8732 5.9384 5.9384 6.2954 6.2954 6.4184 6.4184 6.7767 6.7767 6.9636 6.9636 7.0325 7.0325 8.5558 8.5558 9.1102 9.1102 10.1738 10.1738 10.8056 10.8056 11.6529 11.6529 13.9616 13.9616 16.0564 16.0564 16.4425 16.4425 17.0046 17.0046 k = 0.0000 0.4853-0.0000 ( 2054 PWs) bands (ev): 3.5613 3.5613 4.0423 4.0423 4.0461 4.0461 4.6691 4.6691 4.9854 4.9854 5.8783 5.8783 5.9441 5.9441 6.2986 6.2986 6.4142 6.4142 6.7710 6.7710 6.9595 6.9595 7.0182 7.0182 8.5522 8.5522 9.1033 9.1033 10.1715 10.1715 10.8007 10.8007 11.6523 11.6523 13.9764 13.9764 16.0762 16.0762 16.4195 16.4195 16.9866 16.9866 k = 0.0000 0.5000-0.0000 ( 2054 PWs) bands (ev): 3.5627 3.5627 4.0433 4.0433 4.0466 4.0466 4.6721 4.6721 4.9844 4.9844 5.8798 5.8798 5.9463 5.9463 6.2997 6.2997 6.4127 6.4127 6.7688 6.7688 6.9576 6.9576 7.0140 7.0140 8.5509 8.5509 9.1010 9.1010 10.1707 10.1707 10.7990 10.7990 11.6521 11.6521 13.9813 13.9813 16.0835 16.0835 16.4112 16.4112 16.9806 16.9806 k = 0.0000 0.5000-0.0000 ( 2054 PWs) bands (ev): 3.5627 3.5627 4.0433 4.0433 4.0466 4.0466 4.6721 4.6721 4.9844 4.9844 5.8798 5.8798 5.9463 5.9463 6.2997 6.2997 6.4127 6.4127 6.7688 6.7688 6.9576 6.9576 7.0140 7.0140 8.5509 8.5509 9.1010 9.1010 10.1707 10.1707 10.7990 10.7990 11.6521 11.6521 13.9813 13.9813 16.0835 16.0835 16.4112 16.4112 16.9806 16.9806 k = 0.0147 0.5000-0.0000 ( 2054 PWs) bands (ev): 3.5641 3.5641 4.0436 4.0436 4.0468 4.0468 4.6720 4.6720 4.9841 4.9841 5.8803 5.8803 5.9469 5.9469 6.2988 6.2988 6.4137 6.4137 6.7706 6.7706 6.9580 6.9580 7.0142 7.0142 8.5501 8.5501 9.1006 9.1006 10.1692 10.1692 10.7986 10.7986 11.6499 11.6499 13.9554 13.9554 16.0455 16.0455 16.4451 16.4451 17.0170 17.0170 k = 0.0294 0.5000-0.0000 ( 2058 PWs) bands (ev): 3.5683 3.5683 4.0444 4.0444 4.0476 4.0476 4.6718 4.6718 4.9831 4.9831 5.8816 5.8816 5.9489 5.9489 6.2961 6.2961 6.4165 6.4165 6.7759 6.7759 6.9592 6.9592 7.0146 7.0146 8.5476 8.5476 9.0997 9.0997 10.1649 10.1649 10.7975 10.7975 11.6435 11.6435 13.8811 13.8811 15.9507 15.9507 16.5362 16.5362 17.1141 17.1141 k = 0.0441 0.5000-0.0000 ( 2058 PWs) bands (ev): 3.5754 3.5754 4.0450 4.0450 4.0497 4.0497 4.6713 4.6713 4.9815 4.9815 5.8839 5.8839 5.9521 5.9521 6.2920 6.2920 6.4208 6.4208 6.7848 6.7848 6.9612 6.9612 7.0153 7.0153 8.5436 8.5436 9.0980 9.0980 10.1577 10.1577 10.7955 10.7955 11.6328 11.6328 13.7670 13.7670 15.8260 15.8260 16.6708 16.6708 17.2501 17.2501 k = 0.0588 0.5000-0.0000 ( 2058 PWs) bands (ev): 3.5851 3.5851 4.0453 4.0453 4.0533 4.0533 4.6707 4.6707 4.9794 4.9794 5.8871 5.8871 5.9563 5.9563 6.2870 6.2870 6.4262 6.4262 6.7972 6.7972 6.9639 6.9639 7.0163 7.0163 8.5380 8.5380 9.0958 9.0958 10.1477 10.1477 10.7927 10.7927 11.6179 11.6179 13.6232 13.6232 15.6871 15.6871 16.8392 16.8392 17.4093 17.4093 k = 0.0735 0.5000-0.0000 ( 2058 PWs) bands (ev): 3.5975 3.5975 4.0455 4.0455 4.0581 4.0581 4.6699 4.6699 4.9769 4.9769 5.8913 5.8913 5.9615 5.9615 6.2815 6.2815 6.4322 6.4322 6.8130 6.8130 6.9674 6.9674 7.0177 7.0177 8.5308 8.5308 9.0929 9.0929 10.1347 10.1347 10.7892 10.7892 11.5988 11.5988 13.4588 13.4588 15.5417 15.5417 17.0332 17.0332 17.5828 17.5828 k = 0.0882 0.5000-0.0000 ( 2060 PWs) bands (ev): 3.6124 3.6124 4.0456 4.0456 4.0641 4.0641 4.6690 4.6690 4.9741 4.9741 5.8966 5.8966 5.9674 5.9674 6.2758 6.2758 6.4385 6.4385 6.8321 6.8321 6.9716 6.9716 7.0196 7.0196 8.5222 8.5222 9.0894 9.0894 10.1188 10.1188 10.7848 10.7848 11.5755 11.5755 13.2808 13.2808 15.3942 15.3942 17.2464 17.2464 17.7661 17.7661 k = 0.1029 0.5000-0.0000 ( 2062 PWs) bands (ev): 3.6296 3.6296 4.0457 4.0457 4.0712 4.0712 4.6679 4.6679 4.9712 4.9712 5.9028 5.9028 5.9739 5.9739 6.2703 6.2703 6.4449 6.4449 6.8543 6.8543 6.9764 6.9764 7.0220 7.0220 8.5123 8.5123 9.0853 9.0853 10.1000 10.1000 10.7797 10.7797 11.5480 11.5480 13.0945 13.0945 15.2469 15.2469 17.4736 17.4736 17.9569 17.9569 k = 0.1176 0.5000-0.0000 ( 2062 PWs) bands (ev): 3.6488 3.6488 4.0458 4.0458 4.0796 4.0796 4.6667 4.6667 4.9684 4.9684 5.9101 5.9101 5.9807 5.9807 6.2652 6.2652 6.4512 6.4512 6.8792 6.8792 6.9817 6.9817 7.0253 7.0253 8.5011 8.5011 9.0807 9.0807 10.0783 10.0783 10.7736 10.7736 11.5164 11.5164 12.9039 12.9039 15.1013 15.1013 17.7110 17.7110 18.1540 18.1540 k = 0.1324 0.5000-0.0000 ( 2064 PWs) bands (ev): 3.6700 3.6700 4.0459 4.0459 4.0892 4.0892 4.6654 4.6654 4.9659 4.9659 5.9184 5.9184 5.9877 5.9877 6.2607 6.2607 6.4574 6.4574 6.9062 6.9062 6.9874 6.9874 7.0300 7.0300 8.4888 8.4888 9.0754 9.0754 10.0535 10.0535 10.7666 10.7666 11.4803 11.4803 12.7121 12.7121 14.9584 14.9584 17.9554 17.9554 18.3570 18.3570 k = 0.1471 0.5000-0.0000 ( 2064 PWs) bands (ev): 3.6927 3.6927 4.0460 4.0460 4.1001 4.1001 4.6639 4.6639 4.9639 4.9639 5.9276 5.9276 5.9948 5.9948 6.2568 6.2568 6.4634 6.4634 6.9342 6.9342 6.9933 6.9933 7.0373 7.0373 8.4755 8.4755 9.0696 9.0696 10.0258 10.0258 10.7585 10.7585 11.4395 11.4395 12.5218 12.5218 14.8187 14.8187 18.2036 18.2036 18.5663 18.5663 k = 0.1618 0.5000-0.0000 ( 2060 PWs) bands (ev): 3.7167 3.7167 4.0461 4.0461 4.1123 4.1123 4.6624 4.6624 4.9627 4.9627 5.9377 5.9377 6.0018 6.0018 6.2538 6.2538 6.4691 6.4691 6.9609 6.9609 6.9992 6.9992 7.0496 7.0496 8.4613 8.4613 9.0633 9.0633 9.9951 9.9951 10.7491 10.7491 11.3935 11.3935 12.3356 12.3356 14.6830 14.6830 18.4527 18.4527 18.7830 18.7830 k = 0.1765 0.5000-0.0000 ( 2060 PWs) bands (ev): 3.7416 3.7416 4.0462 4.0462 4.1258 4.1258 4.6608 4.6608 4.9627 4.9627 5.9484 5.9484 6.0085 6.0085 6.2516 6.2516 6.4745 6.4745 6.9830 6.9830 7.0045 7.0045 7.0701 7.0701 8.4466 8.4466 9.0564 9.0564 9.9614 9.9614 10.7381 10.7381 11.3412 11.3412 12.1562 12.1562 14.5514 14.5514 18.6992 18.6992 19.0090 19.0090 k = 0.1912 0.5000-0.0000 ( 2060 PWs) bands (ev): 3.7670 3.7670 4.0463 4.0463 4.1407 4.1407 4.6590 4.6590 4.9641 4.9641 5.9599 5.9599 6.0150 6.0150 6.2503 6.2503 6.4795 6.4795 6.9987 6.9987 7.0095 7.0095 7.1005 7.1005 8.4315 8.4315 9.0491 9.0491 9.9247 9.9247 10.7248 10.7248 11.2814 11.2814 11.9869 11.9869 14.4244 14.4244 18.9400 18.9400 19.2462 19.2462 k = 0.2059 0.5000-0.0000 ( 2064 PWs) bands (ev): 3.7924 3.7924 4.0464 4.0464 4.1568 4.1568 4.6572 4.6572 4.9673 4.9673 5.9718 5.9718 6.0212 6.0212 6.2500 6.2500 6.4843 6.4843 7.0082 7.0082 7.0152 7.0152 7.1389 7.1389 8.4162 8.4162 9.0412 9.0412 9.8851 9.8851 10.7083 10.7083 11.2121 11.2121 11.8315 11.8315 14.3023 14.3023 19.1729 19.1729 19.4956 19.4956 k = 0.2206 0.5000-0.0000 ( 2064 PWs) bands (ev): 3.8176 3.8176 4.0465 4.0465 4.1742 4.1742 4.6553 4.6553 4.9727 4.9727 5.9840 5.9840 6.0270 6.0270 6.2507 6.2507 6.4886 6.4886 7.0126 7.0126 7.0228 7.0228 7.1830 7.1830 8.4009 8.4009 9.0328 9.0328 9.8426 9.8426 10.6866 10.6866 11.1325 11.1325 11.6942 11.6942 14.1853 14.1853 19.3978 19.3978 19.7564 19.7564 k = 0.2353 0.5000-0.0000 ( 2062 PWs) bands (ev): 3.8420 3.8420 4.0466 4.0466 4.1926 4.1926 4.6533 4.6533 4.9807 4.9807 5.9965 5.9965 6.0323 6.0323 6.2523 6.2523 6.4925 6.4925 7.0150 7.0150 7.0303 7.0303 7.2312 7.2312 8.3861 8.3861 9.0238 9.0238 9.7972 9.7972 10.6561 10.6561 11.0444 11.0444 11.5775 11.5775 14.0735 14.0735 19.6157 19.6157 20.0268 20.0268 k = 0.2500 0.5000-0.0000 ( 2066 PWs) bands (ev): 3.8655 3.8655 4.0467 4.0467 4.2119 4.2119 4.6512 4.6512 4.9917 4.9917 6.0091 6.0091 6.0374 6.0374 6.2548 6.2548 6.4958 6.4958 7.0165 7.0165 7.0372 7.0372 7.2827 7.2827 8.3720 8.3720 9.0142 9.0142 9.7491 9.7491 10.6102 10.6102 10.9556 10.9556 11.4811 11.4811 13.9672 13.9672 19.8279 19.8279 20.3044 20.3044 k = 0.2647 0.5000-0.0000 ( 2062 PWs) bands (ev): 3.8877 3.8877 4.0469 4.0469 4.2316 4.2316 4.6489 4.6489 5.0061 5.0061 6.0214 6.0214 6.0422 6.0422 6.2582 6.2582 6.4986 6.4986 7.0172 7.0172 7.0435 7.0435 7.3370 7.3370 8.3589 8.3589 9.0040 9.0040 9.6982 9.6982 10.5406 10.5406 10.8786 10.8786 11.4021 11.4021 13.8666 13.8666 20.0353 20.0353 20.5874 20.5874 k = 0.2794 0.5000-0.0000 ( 2066 PWs) bands (ev): 3.9084 3.9084 4.0470 4.0470 4.2515 4.2515 4.6466 4.6466 5.0242 5.0242 6.0332 6.0332 6.0472 6.0472 6.2623 6.2623 6.5005 6.5005 7.0172 7.0172 7.0491 7.0491 7.3938 7.3938 8.3472 8.3472 8.9930 8.9930 9.6448 9.6448 10.4442 10.4442 10.8214 10.8214 11.3363 11.3363 13.7717 13.7717 20.2383 20.2383 20.8745 20.8745 k = 0.2941 0.5000-0.0000 ( 2070 PWs) bands (ev): 3.9275 3.9275 4.0471 4.0471 4.2710 4.2710 4.6442 4.6442 5.0461 5.0461 6.0428 6.0428 6.0539 6.0539 6.2672 6.2672 6.5015 6.5015 7.0164 7.0164 7.0540 7.0540 7.4529 7.4529 8.3373 8.3373 8.9811 8.9811 9.5890 9.5890 10.3280 10.3280 10.7814 10.7814 11.2804 11.2804 13.6826 13.6826 20.4368 20.4368 21.1648 21.1648 k = 0.3088 0.5000-0.0000 ( 2066 PWs) bands (ev): 3.9450 3.9450 4.0473 4.0473 4.2897 4.2897 4.6417 4.6417 5.0720 5.0720 6.0489 6.0489 6.0636 6.0636 6.2727 6.2727 6.5014 6.5014 7.0146 7.0146 7.0582 7.0582 7.5140 7.5140 8.3296 8.3296 8.9680 8.9680 9.5310 9.5310 10.2020 10.2020 10.7520 10.7520 11.2321 11.2321 13.5996 13.5996 20.6307 20.6307 21.4576 21.4576 k = 0.3235 0.5000-0.0000 ( 2074 PWs) bands (ev): 3.9610 3.9610 4.0474 4.0474 4.3072 4.3072 4.6391 4.6391 5.1017 5.1017 6.0528 6.0528 6.0751 6.0751 6.2786 6.2786 6.4999 6.4999 7.0119 7.0119 7.0619 7.0619 7.5769 7.5769 8.3245 8.3245 8.9533 8.9533 9.4711 9.4711 10.0736 10.0736 10.7284 10.7284 11.1898 11.1898 13.5226 13.5226 20.8192 20.8192 21.7521 21.7521 k = 0.3382 0.5000-0.0000 ( 2070 PWs) bands (ev): 3.9754 3.9754 4.0476 4.0476 4.3233 4.3233 4.6365 4.6365 5.1349 5.1349 6.0558 6.0558 6.0872 6.0872 6.2847 6.2847 6.4968 6.4968 7.0081 7.0081 7.0650 7.0650 7.6415 7.6415 8.3224 8.3224 8.9366 8.9366 9.4096 9.4096 9.9474 9.9474 10.7080 10.7080 11.1526 11.1526 13.4517 13.4517 21.0016 21.0016 22.0480 22.0480 k = 0.3529 0.5000-0.0000 ( 2074 PWs) bands (ev): 3.9883 3.9883 4.0477 4.0477 4.3377 4.3377 4.6340 4.6340 5.1711 5.1711 6.0583 6.0583 6.0997 6.0997 6.2910 6.2910 6.4918 6.4918 7.0032 7.0032 7.0676 7.0676 7.7076 7.7076 8.3235 8.3235 8.9171 8.9171 9.3470 9.3470 9.8267 9.8267 10.6894 10.6894 11.1201 11.1201 13.3870 13.3870 21.1768 21.1769 22.3446 22.3446 k = 0.3676 0.5000-0.0000 ( 2080 PWs) bands (ev): 3.9998 3.9998 4.0479 4.0479 4.3504 4.3504 4.6315 4.6315 5.2096 5.2096 6.0606 6.0606 6.1125 6.1125 6.2972 6.2972 6.4847 6.4847 6.9974 6.9974 7.0698 7.0698 7.7749 7.7749 8.3282 8.3282 8.8938 8.8938 9.2839 9.2839 9.7137 9.7137 10.6722 10.6722 11.0918 11.0918 13.3284 13.3284 21.3437 21.3437 22.6416 22.6416 k = 0.3824 0.5000-0.0000 ( 2076 PWs) bands (ev): 4.0098 4.0098 4.0482 4.0482 4.3614 4.3614 4.6291 4.6291 5.2492 5.2492 6.0625 6.0625 6.1260 6.1260 6.3031 6.3031 6.4750 6.4750 6.9908 6.9908 7.0717 7.0717 7.8433 7.8433 8.3367 8.3367 8.8656 8.8656 9.2213 9.2213 9.6106 9.6106 10.6561 10.6561 11.0674 11.0674 13.2760 13.2760 21.5009 21.5009 22.9384 22.9384 k = 0.3971 0.5000-0.0000 ( 2080 PWs) bands (ev): 4.0185 4.0185 4.0485 4.0485 4.3707 4.3707 4.6269 4.6269 5.2890 5.2890 6.0642 6.0642 6.1404 6.1404 6.3086 6.3086 6.4628 6.4628 6.9838 6.9838 7.0733 7.0733 7.9126 7.9126 8.3489 8.3489 8.8311 8.8311 9.1601 9.1601 9.5189 9.5189 10.6412 10.6412 11.0466 11.0466 13.2298 13.2298 21.6466 21.6466 23.2341 23.2341 k = 0.4118 0.5000-0.0000 ( 2070 PWs) bands (ev): 4.0258 4.0258 4.0490 4.0490 4.3784 4.3784 4.6249 4.6249 5.3276 5.3276 6.0656 6.0656 6.1559 6.1559 6.3132 6.3132 6.4478 6.4478 6.9766 6.9766 7.0747 7.0747 7.9825 7.9825 8.3648 8.3648 8.7893 8.7893 9.1015 9.1015 9.4401 9.4401 10.6275 10.6275 11.0291 11.0291 13.1898 13.1898 21.7791 21.7791 23.5281 23.5281 k = 0.4265 0.5000-0.0000 ( 2070 PWs) bands (ev): 4.0317 4.0317 4.0496 4.0496 4.3847 4.3847 4.6231 4.6231 5.3637 5.3637 6.0668 6.0668 6.1729 6.1729 6.3169 6.3169 6.4305 6.4305 6.9698 6.9698 7.0758 7.0758 8.0529 8.0529 8.3837 8.3837 8.7397 8.7397 9.0463 9.0463 9.3752 9.3752 10.6153 10.6153 11.0149 11.0149 13.1560 13.1560 21.8963 21.8963 23.8184 23.8184 k = 0.4412 0.5000-0.0000 ( 2066 PWs) bands (ev): 4.0361 4.0361 4.0505 4.0505 4.3896 4.3896 4.6216 4.6216 5.3958 5.3958 6.0678 6.0678 6.1916 6.1916 6.3188 6.3188 6.4114 6.4114 6.9636 6.9636 7.0768 7.0768 8.1235 8.1235 8.4046 8.4046 8.6834 8.6834 8.9955 8.9955 9.3243 9.3243 10.6049 10.6049 11.0035 11.0035 13.1283 13.1283 21.9961 21.9961 24.1025 24.1025 k = 0.4559 0.5000-0.0000 ( 2068 PWs) bands (ev): 4.0391 4.0391 4.0516 4.0516 4.3933 4.3933 4.6204 4.6204 5.4225 5.4225 6.0686 6.0686 6.2120 6.2120 6.3181 6.3181 6.3921 6.3921 6.9585 6.9585 7.0775 7.0775 8.1941 8.1941 8.4257 8.4257 8.6222 8.6222 8.9504 8.9504 9.2867 9.2867 10.5965 10.5965 10.9949 10.9949 13.1068 13.1068 22.0766 22.0766 24.3754 24.3754 k = 0.4706 0.5000-0.0000 ( 2064 PWs) bands (ev): 4.0409 4.0409 4.0527 4.0527 4.3959 4.3959 4.6195 4.6195 5.4425 5.4425 6.0692 6.0692 6.2339 6.2339 6.3124 6.3124 6.3755 6.3755 6.9546 6.9546 7.0780 7.0780 8.2643 8.2643 8.4429 8.4429 8.5594 8.5594 8.9136 8.9136 9.2613 9.2613 10.5904 10.5904 10.9889 10.9889 13.0915 13.0915 22.1357 22.1357 24.6254 24.6254 k = 0.4853 0.5000-0.0000 ( 2060 PWs) bands (ev): 4.0418 4.0418 4.0535 4.0535 4.3974 4.3974 4.6190 4.6190 5.4550 5.4550 6.0695 6.0695 6.2566 6.2566 6.2996 6.2996 6.3653 6.3653 6.9522 6.9522 7.0783 7.0783 8.3333 8.3333 8.4439 8.4439 8.5061 8.5061 8.8890 8.8890 9.2467 9.2467 10.5866 10.5866 10.9853 10.9853 13.0823 13.0823 22.1718 22.1718 24.8213 24.8213 k = 0.5000 0.5000-0.0000 ( 2060 PWs) bands (ev): 4.0421 4.0421 4.0538 4.0538 4.3979 4.3979 4.6188 4.6188 5.4592 5.4592 6.0696 6.0696 6.2749 6.2749 6.2843 6.2843 6.3621 6.3621 6.9514 6.9514 7.0784 7.0784 8.3902 8.3902 8.4085 8.4085 8.4905 8.4905 8.8802 8.8802 9.2419 9.2419 10.5854 10.5854 10.9841 10.9841 13.0792 13.0792 22.1840 22.1840 24.8996 24.8996 k = 0.5000 0.5000-0.0000 ( 2060 PWs) bands (ev): 4.0421 4.0421 4.0538 4.0538 4.3979 4.3979 4.6188 4.6188 5.4592 5.4592 6.0696 6.0696 6.2749 6.2749 6.2843 6.2843 6.3621 6.3621 6.9514 6.9514 7.0784 7.0784 8.3902 8.3902 8.4085 8.4085 8.4905 8.4905 8.8802 8.8802 9.2419 9.2419 10.5854 10.5854 10.9841 10.9841 13.0792 13.0792 22.1840 22.1840 24.8996 24.8996 k = 0.4896 0.4896-0.0000 ( 2060 PWs) bands (ev): 4.0418 4.0418 4.0535 4.0535 4.3974 4.3974 4.6190 4.6190 5.4550 5.4550 6.0695 6.0695 6.2565 6.2565 6.2996 6.2996 6.3653 6.3653 6.9522 6.9522 7.0783 7.0783 8.3328 8.3328 8.4462 8.4462 8.5042 8.5042 8.8891 8.8891 9.2467 9.2467 10.5866 10.5866 10.9853 10.9853 13.0823 13.0823 22.1718 22.1718 24.8259 24.8259 k = 0.4792 0.4792-0.0000 ( 2068 PWs) bands (ev): 4.0410 4.0410 4.0526 4.0526 4.3959 4.3959 4.6195 4.6195 5.4425 5.4425 6.0691 6.0691 6.2336 6.2336 6.3126 6.3126 6.3755 6.3755 6.9546 6.9546 7.0780 7.0780 8.2634 8.2634 8.4544 8.4544 8.5472 8.5472 8.9159 8.9159 9.2610 9.2610 10.5905 10.5905 10.9888 10.9888 13.0916 13.0916 22.1354 22.1354 24.6599 24.6599 k = 0.4688 0.4687-0.0000 ( 2060 PWs) bands (ev): 4.0395 4.0395 4.0511 4.0511 4.3932 4.3932 4.6204 4.6204 5.4223 5.4223 6.0686 6.0686 6.2111 6.2111 6.3185 6.3185 6.3918 6.3918 6.9585 6.9585 7.0775 7.0775 8.1949 8.1949 8.4478 8.4478 8.5933 8.5933 8.9589 8.9589 9.2851 9.2851 10.5968 10.5968 10.9948 10.9948 13.1070 13.1070 22.0757 22.0757 24.4598 24.4598 k = 0.4583 0.4583-0.0000 ( 2063 PWs) bands (ev): 4.0373 4.0373 4.0492 4.0492 4.3892 4.3892 4.6216 4.6216 5.3955 5.3955 6.0677 6.0677 6.1897 6.1897 6.3195 6.3195 6.4106 6.4106 6.9637 6.9637 7.0767 7.0767 8.1304 8.1304 8.4364 8.4364 8.6330 8.6330 9.0148 9.0148 9.3195 9.3195 10.6056 10.6056 11.0030 11.0030 13.1288 13.1288 21.9940 21.9940 24.2467 24.2467 k = 0.4479 0.4479-0.0000 ( 2063 PWs) bands (ev): 4.0341 4.0341 4.0470 4.0470 4.3837 4.3837 4.6230 4.6230 5.3633 5.3633 6.0665 6.0665 6.1694 6.1694 6.3178 6.3178 6.4285 6.4285 6.9697 6.9697 7.0756 7.0756 8.0721 8.0721 8.4225 8.4225 8.6667 8.6667 9.0784 9.0784 9.3648 9.3648 10.6170 10.6170 11.0135 11.0135 13.1569 13.1569 21.8918 21.8918 24.0287 24.0287 k = 0.4375 0.4375-0.0000 ( 2067 PWs) bands (ev): 4.0300 4.0300 4.0446 4.0446 4.3765 4.3765 4.6246 4.6246 5.3269 5.3269 6.0647 6.0647 6.1502 6.1502 6.3143 6.3143 6.4436 6.4436 6.9759 6.9759 7.0741 7.0741 8.0220 8.0220 8.4071 8.4071 8.6963 8.6963 9.1447 9.1447 9.4213 9.4213 10.6308 10.6308 11.0264 11.0264 13.1915 13.1915 21.7710 21.7710 23.8092 23.8092 k = 0.4271 0.4271-0.0000 ( 2073 PWs) bands (ev): 4.0246 4.0246 4.0420 4.0420 4.3672 4.3672 4.6262 4.6262 5.2879 5.2879 6.0623 6.0623 6.1322 6.1322 6.3097 6.3097 6.4552 6.4552 6.9816 6.9816 7.0720 7.0720 7.9815 7.9815 8.3910 8.3910 8.7240 8.7240 9.2102 9.2102 9.4888 9.4888 10.6472 10.6472 11.0414 11.0414 13.2328 13.2328 21.6335 21.6335 23.5903 23.5903 k = 0.4167 0.4167-0.0000 ( 2071 PWs) bands (ev): 4.0180 4.0180 4.0393 4.0393 4.3558 4.3558 4.6275 4.6275 5.2477 5.2477 6.0585 6.0585 6.1156 6.1156 6.3042 6.3042 6.4628 6.4628 6.9859 6.9859 7.0692 7.0692 7.9522 7.9522 8.3748 8.3748 8.7510 8.7510 9.2736 9.2736 9.5658 9.5658 10.6659 10.6659 11.0586 11.0586 13.2809 13.2809 21.4810 21.4810 23.3730 23.3730 k = 0.4062 0.4062-0.0000 ( 2069 PWs) bands (ev): 4.0102 4.0102 4.0364 4.0364 4.3419 4.3419 4.6282 4.6282 5.2076 5.2076 6.0524 6.0524 6.1009 6.1009 6.2980 6.2980 6.4666 6.4666 6.9880 6.9880 7.0654 7.0654 7.9348 7.9348 8.3588 8.3588 8.7782 8.7782 9.3351 9.3351 9.6499 9.6499 10.6871 10.6871 11.0779 11.0779 13.3359 13.3359 21.3155 21.3155 23.1579 23.1579 k = 0.3958 0.3958-0.0000 ( 2069 PWs) bands (ev): 4.0009 4.0009 4.0333 4.0333 4.3254 4.3254 4.6279 4.6279 5.1691 5.1691 6.0427 6.0427 6.0894 6.0894 6.2912 6.2912 6.4668 6.4668 6.9872 6.9872 7.0607 7.0607 7.9297 7.9297 8.3433 8.3433 8.8062 8.8062 9.3954 9.3954 9.7384 9.7384 10.7107 10.7107 11.0992 11.0992 13.3981 13.3981 21.1386 21.1386 22.9452 22.9452 k = 0.3854 0.3854-0.0000 ( 2061 PWs) bands (ev): 3.9900 3.9900 4.0300 4.0300 4.3061 4.3061 4.6261 4.6261 5.1334 5.1334 6.0288 6.0288 6.0814 6.0814 6.2840 6.2840 6.4641 6.4641 6.9831 6.9831 7.0555 7.0555 7.9364 7.9364 8.3287 8.3287 8.8355 8.8355 9.4555 9.4555 9.8291 9.8291 10.7367 10.7367 11.1225 11.1225 13.4676 13.4676 20.9520 20.9520 22.7349 22.7349 k = 0.3750 0.3750-0.0000 ( 2057 PWs) bands (ev): 3.9773 3.9773 4.0266 4.0266 4.2841 4.2841 4.6223 4.6223 5.1015 5.1015 6.0113 6.0113 6.0758 6.0758 6.2765 6.2765 6.4591 6.4591 6.9755 6.9755 7.0502 7.0502 7.9539 7.9539 8.3151 8.3151 8.8664 8.8664 9.5160 9.5160 9.9201 9.9201 10.7651 10.7651 11.1477 11.1477 13.5445 13.5445 20.7570 20.7570 22.5267 22.5267 k = 0.3646 0.3646-0.0000 ( 2057 PWs) bands (ev): 3.9624 3.9624 4.0228 4.0228 4.2595 4.2595 4.6164 4.6164 5.0742 5.0742 5.9915 5.9915 6.0715 6.0715 6.2691 6.2691 6.4525 6.4525 6.9647 6.9647 7.0452 7.0452 7.9807 7.9807 8.3026 8.3026 8.8991 8.8991 9.5773 9.5773 10.0101 10.0101 10.7958 10.7958 11.1746 11.1746 13.6290 13.6290 20.5551 20.5551 22.3202 22.3202 k = 0.3542 0.3542-0.0000 ( 2057 PWs) bands (ev): 3.9450 3.9450 4.0189 4.0189 4.2329 4.2329 4.6080 4.6080 5.0519 5.0519 5.9700 5.9700 6.0677 6.0677 6.2617 6.2617 6.4449 6.4449 6.9517 6.9517 7.0407 7.0407 8.0153 8.0153 8.2915 8.2915 8.9338 8.9338 9.6396 9.6396 10.0979 10.0979 10.8289 10.8289 11.2031 11.2031 13.7211 13.7211 20.3474 20.3474 22.1153 22.1153 k = 0.3438 0.3437-0.0000 ( 2061 PWs) bands (ev): 3.9244 3.9244 4.0147 4.0147 4.2048 4.2048 4.5974 4.5974 5.0346 5.0346 5.9473 5.9473 6.0637 6.0637 6.2548 6.2548 6.4372 6.4372 6.9371 6.9371 7.0366 7.0366 8.0559 8.0559 8.2818 8.2818 8.9706 8.9706 9.7030 9.7030 10.1827 10.1827 10.8642 10.8642 11.2332 11.2332 13.8210 13.8210 20.1351 20.1351 21.9113 21.9113 k = 0.3333 0.3333-0.0000 ( 2061 PWs) bands (ev): 3.9001 3.9001 4.0103 4.0103 4.1762 4.1762 4.5847 4.5847 5.0218 5.0218 5.9237 5.9237 6.0594 6.0594 6.2483 6.2483 6.4298 6.4298 6.9219 6.9219 7.0328 7.0328 8.1009 8.1009 8.2737 8.2737 9.0097 9.0097 9.7675 9.7675 10.2641 10.2641 10.9017 10.9017 11.2647 11.2647 13.9285 13.9285 19.9193 19.9193 21.7080 21.7080 k = 0.3229 0.3229-0.0000 ( 2065 PWs) bands (ev): 3.8714 3.8714 4.0057 4.0057 4.1480 4.1480 4.5705 4.5705 5.0128 5.0128 5.8994 5.8994 6.0544 6.0544 6.2426 6.2426 6.4234 6.4234 6.9069 6.9069 7.0291 7.0291 8.1488 8.1488 8.2675 8.2675 9.0513 9.0513 9.8333 9.8333 10.3414 10.3414 10.9413 10.9413 11.2974 11.2974 14.0437 14.0437 19.7007 19.7007 21.5050 21.5050 k = 0.3125 0.3125-0.0000 ( 2061 PWs) bands (ev): 3.8382 3.8382 4.0010 4.0010 4.1211 4.1211 4.5552 4.5552 5.0066 5.0066 5.8748 5.8748 6.0487 6.0487 6.2375 6.2375 6.4185 6.4185 6.8923 6.8923 7.0256 7.0256 8.1975 8.1975 8.2641 8.2641 9.0954 9.0954 9.9001 9.9001 10.4146 10.4146 10.9828 10.9828 11.3311 11.3311 14.1664 14.1664 19.4801 19.4801 21.3023 21.3023 k = 0.3021 0.3021-0.0000 ( 2055 PWs) bands (ev): 3.8002 3.8002 3.9960 3.9960 4.0963 4.0963 4.5393 4.5393 5.0023 5.0023 5.8500 5.8500 6.0422 6.0422 6.2331 6.2331 6.4156 6.4156 6.8788 6.8788 7.0222 7.0222 8.2388 8.2388 8.2707 8.2707 9.1422 9.1422 9.9679 9.9679 10.4836 10.4836 11.0260 11.0260 11.3657 11.3657 14.2963 14.2963 19.2584 19.2584 21.1001 21.1001 k = 0.2917 0.2917-0.0000 ( 2051 PWs) bands (ev): 3.7578 3.7578 3.9908 3.9908 4.0737 4.0737 4.5229 4.5229 4.9991 4.9991 5.8255 5.8255 6.0349 6.0349 6.2292 6.2292 6.4151 6.4151 6.8663 6.8663 7.0188 7.0188 8.2498 8.2498 8.3096 8.3096 9.1917 9.1917 10.0367 10.0367 10.5484 10.5484 11.0706 11.0706 11.4010 11.4010 14.4333 14.4333 19.0362 19.0362 20.8984 20.8984 k = 0.2812 0.2812-0.0000 ( 2051 PWs) bands (ev): 3.7117 3.7117 3.9855 3.9855 4.0533 4.0533 4.5063 4.5063 4.9963 4.9963 5.8013 5.8013 6.0268 6.0268 6.2257 6.2257 6.4173 6.4173 6.8553 6.8553 7.0155 7.0155 8.2517 8.2517 8.3589 8.3589 9.2438 9.2438 10.1064 10.1064 10.6094 10.6094 11.1164 11.1164 11.4368 11.4368 14.5769 14.5769 18.8140 18.8140 20.6976 20.6976 k = 0.2708 0.2708-0.0000 ( 2051 PWs) bands (ev): 3.6627 3.6627 3.9800 3.9800 4.0349 4.0349 4.4898 4.4898 4.9933 4.9933 5.7778 5.7778 6.0180 6.0180 6.2223 6.2223 6.4224 6.4224 6.8457 6.8457 7.0123 7.0123 8.2539 8.2539 8.4085 8.4085 9.2986 9.2986 10.1769 10.1769 10.6666 10.6666 11.1630 11.1630 11.4728 11.4728 14.7270 14.7270 18.5923 18.5923 20.4982 20.4982 k = 0.2604 0.2604-0.0000 ( 2051 PWs) bands (ev): 3.6116 3.6116 3.9743 3.9743 4.0183 4.0183 4.4734 4.4734 4.9897 4.9897 5.7551 5.7551 6.0086 6.0086 6.2190 6.2190 6.4302 6.4302 6.8376 6.8376 7.0092 7.0092 8.2574 8.2574 8.4571 8.4571 9.3560 9.3560 10.2480 10.2480 10.7207 10.7207 11.2102 11.2102 11.5089 11.5089 14.8828 14.8828 18.3718 18.3718 20.3005 20.3005 k = 0.2500 0.2500-0.0000 ( 2051 PWs) bands (ev): 3.5591 3.5591 3.9685 3.9685 4.0032 4.0032 4.4571 4.4571 4.9852 4.9852 5.7332 5.7332 5.9987 5.9987 6.2157 6.2157 6.4408 6.4408 6.8313 6.8313 7.0061 7.0061 8.2627 8.2627 8.5040 8.5040 9.4157 9.4157 10.3198 10.3198 10.7717 10.7717 11.2577 11.2577 11.5447 11.5447 15.0442 15.0442 18.1528 18.1528 20.1050 20.1050 k = 0.2396 0.2396-0.0000 ( 2057 PWs) bands (ev): 3.5060 3.5060 3.9623 3.9623 3.9894 3.9894 4.4411 4.4411 4.9797 4.9797 5.7124 5.7124 5.9885 5.9885 6.2124 6.2124 6.4536 6.4536 6.8267 6.8267 7.0032 7.0032 8.2696 8.2696 8.5490 8.5490 9.4776 9.4776 10.3920 10.3920 10.8202 10.8202 11.3053 11.3053 11.5802 11.5802 15.2103 15.2103 17.9357 17.9357 19.9120 19.9120 k = 0.2292 0.2292-0.0000 ( 2057 PWs) bands (ev): 3.4527 3.4527 3.9557 3.9557 3.9769 3.9769 4.4253 4.4253 4.9731 4.9731 5.6926 5.6926 5.9780 5.9780 6.2091 6.2091 6.4682 6.4682 6.8240 6.8240 7.0004 7.0004 8.2782 8.2782 8.5919 8.5919 9.5412 9.5412 10.4645 10.4645 10.8664 10.8664 11.3528 11.3528 11.6150 11.6150 15.3808 15.3808 17.7210 17.7210 19.7221 19.7221 k = 0.2188 0.2187-0.0000 ( 2061 PWs) bands (ev): 3.3999 3.3999 3.9485 3.9485 3.9659 3.9659 4.4099 4.4099 4.9655 4.9655 5.6738 5.6738 5.9673 5.9673 6.2059 6.2059 6.4841 6.4841 6.8234 6.8234 6.9977 6.9977 8.2886 8.2886 8.6326 8.6326 9.6063 9.6063 10.5373 10.5373 10.9106 10.9106 11.4001 11.4001 11.6489 11.6489 15.5550 15.5550 17.5091 17.5091 19.5357 19.5357 k = 0.2083 0.2083-0.0000 ( 2059 PWs) bands (ev): 3.3478 3.3478 3.9402 3.9402 3.9566 3.9566 4.3947 4.3947 4.9569 4.9569 5.6561 5.6561 5.9566 5.9566 6.2028 6.2028 6.5005 6.5005 6.8250 6.8250 6.9953 6.9953 8.3008 8.3008 8.6710 8.6710 9.6725 9.6725 10.6101 10.6101 10.9530 10.9530 11.4471 11.4471 11.6819 11.6819 15.7322 15.7322 17.3004 17.3004 19.3532 19.3532 k = 0.1979 0.1979-0.0000 ( 2063 PWs) bands (ev): 3.2969 3.2969 3.9312 3.9312 3.9488 3.9488 4.3800 4.3800 4.9474 4.9474 5.6394 5.6394 5.9458 5.9458 6.1999 6.1999 6.5169 6.5169 6.8289 6.8289 6.9930 6.9930 8.3146 8.3146 8.7073 8.7073 9.7392 9.7392 10.6828 10.6828 10.9939 10.9939 11.4937 11.4937 11.7136 11.7136 15.9116 15.9116 17.0953 17.0953 19.1749 19.1749 k = 0.1875 0.1875-0.0000 ( 2063 PWs) bands (ev): 3.2474 3.2474 3.9216 3.9216 3.9421 3.9421 4.3656 4.3656 4.9373 4.9373 5.6238 5.6238 5.9351 5.9351 6.1973 6.1973 6.5326 6.5326 6.8352 6.8352 6.9910 6.9910 8.3301 8.3301 8.7413 8.7413 9.8061 9.8061 10.7553 10.7553 11.0334 11.0334 11.5399 11.5399 11.7439 11.7439 16.0924 16.0924 16.8942 16.8942 19.0012 19.0012 k = 0.1771 0.1771-0.0000 ( 2063 PWs) bands (ev): 3.1996 3.1996 3.9121 3.9121 3.9360 3.9360 4.3517 4.3517 4.9268 4.9268 5.6090 5.6090 5.9246 5.9246 6.1949 6.1949 6.5471 6.5471 6.8439 6.8439 6.9894 6.9894 8.3471 8.3471 8.7732 8.7732 9.8726 9.8726 10.8271 10.8271 11.0718 11.0718 11.5858 11.5858 11.7727 11.7727 16.2736 16.2736 16.6975 16.6975 18.8327 18.8327 k = 0.1667 0.1667-0.0000 ( 2065 PWs) bands (ev): 3.1537 3.1537 3.9028 3.9028 3.9304 3.9304 4.3382 4.3382 4.9159 4.9159 5.5952 5.5952 5.9143 5.9143 6.1929 6.1929 6.5601 6.5601 6.8548 6.8548 6.9881 6.9881 8.3655 8.3655 8.8031 8.8031 9.9383 9.9383 10.8980 10.8980 11.1093 11.1093 11.6312 11.6312 11.7998 11.7998 16.4529 16.4529 16.5069 16.5069 18.6697 18.6697 k = 0.1562 0.1562-0.0000 ( 2061 PWs) bands (ev): 3.1098 3.1098 3.8938 3.8938 3.9251 3.9251 4.3253 4.3253 4.9050 4.9050 5.5823 5.5823 5.9043 5.9043 6.1910 6.1910 6.5713 6.5713 6.8674 6.8674 6.9873 6.9873 8.3851 8.3851 8.8309 8.8309 10.0026 10.0026 10.9673 10.9673 11.1464 11.1464 11.6762 11.6762 11.8250 11.8250 16.3186 16.3186 16.6334 16.6334 18.5129 18.5129 k = 0.1458 0.1458-0.0000 ( 2061 PWs) bands (ev): 3.0682 3.0682 3.8852 3.8852 3.9201 3.9201 4.3130 4.3130 4.8940 4.8940 5.5702 5.5702 5.8946 5.8946 6.1895 6.1895 6.5807 6.5807 6.8813 6.8813 6.9872 6.9872 8.4059 8.4059 8.8567 8.8567 10.0652 10.0652 11.0343 11.0343 11.1836 11.1836 11.7208 11.7208 11.8482 11.8482 16.1380 16.1380 16.8086 16.8086 18.3625 18.3625 k = 0.1354 0.1354-0.0000 ( 2059 PWs) bands (ev): 3.0289 3.0289 3.8771 3.8771 3.9153 3.9153 4.3012 4.3012 4.8833 4.8833 5.5590 5.5590 5.8854 5.8854 6.1882 6.1882 6.5885 6.5885 6.8956 6.8956 6.9880 6.9880 8.4274 8.4274 8.8806 8.8806 10.1254 10.1254 11.0972 11.0972 11.2225 11.2225 11.7648 11.7648 11.8692 11.8692 15.9637 15.9637 16.9787 16.9787 18.2193 18.2193 k = 0.1250 0.1250-0.0000 ( 2057 PWs) bands (ev): 2.9922 2.9922 3.8695 3.8695 3.9109 3.9109 4.2902 4.2902 4.8730 4.8730 5.5485 5.5485 5.8766 5.8766 6.1871 6.1871 6.5948 6.5948 6.9095 6.9095 6.9902 6.9902 8.4495 8.4495 8.9026 8.9026 10.1829 10.1829 11.1539 11.1539 11.2649 11.2649 11.8083 11.8083 11.8878 11.8878 15.7963 15.7963 17.1413 17.1413 18.0842 18.0842 k = 0.1146 0.1146-0.0000 ( 2057 PWs) bands (ev): 2.9580 2.9580 3.8624 3.8624 3.9067 3.9067 4.2798 4.2798 4.8631 4.8631 5.5389 5.5389 5.8684 5.8684 6.1862 6.1862 6.5998 6.5998 6.9219 6.9219 6.9942 6.9942 8.4719 8.4719 8.9228 8.9228 10.2373 10.2373 11.2018 11.2018 11.3129 11.3129 11.8510 11.8510 11.9040 11.9040 15.6366 15.6366 17.2935 17.2935 17.9583 17.9583 k = 0.1042 0.1042-0.0000 ( 2057 PWs) bands (ev): 2.9265 2.9265 3.8558 3.8558 3.9028 3.9028 4.2702 4.2702 4.8537 4.8537 5.5301 5.5301 5.8607 5.8607 6.1855 6.1855 6.6038 6.6038 6.9319 6.9319 7.0004 7.0004 8.4941 8.4941 8.9411 8.9411 10.2881 10.2881 11.2407 11.2407 11.3665 11.3665 11.8927 11.8927 11.9174 11.9174 15.4853 15.4853 17.4303 17.4303 17.8446 17.8446 k = 0.0938 0.0937-0.0000 ( 2061 PWs) bands (ev): 2.8978 2.8978 3.8498 3.8498 3.8993 3.8993 4.2613 4.2613 4.8451 4.8451 5.5222 5.5222 5.8536 5.8536 6.1849 6.1849 6.6070 6.6070 6.9391 6.9391 7.0089 7.0089 8.5159 8.5159 8.9577 8.9577 10.3351 10.3351 11.2724 11.2724 11.4233 11.4233 11.9270 11.9270 11.9342 11.9342 15.3432 15.3432 17.5382 17.5382 17.7546 17.7546 k = 0.0833 0.0833-0.0000 ( 2061 PWs) bands (ev): 2.8720 2.8720 3.8444 3.8444 3.8960 3.8960 4.2533 4.2533 4.8371 4.8371 5.5150 5.5150 5.8472 5.8472 6.1845 6.1845 6.6095 6.6095 6.9439 6.9439 7.0189 7.0189 8.5368 8.5368 8.9725 8.9725 10.3778 10.3778 11.2990 11.2990 11.4809 11.4809 11.9349 11.9349 11.9727 11.9727 15.2113 15.2113 17.5601 17.5601 17.7440 17.7440 k = 0.0729 0.0729-0.0000 ( 2057 PWs) bands (ev): 2.8490 2.8490 3.8396 3.8396 3.8932 3.8932 4.2462 4.2462 4.8300 4.8300 5.5087 5.5087 5.8415 5.8415 6.1842 6.1842 6.6114 6.6114 6.9468 6.9468 7.0295 7.0295 8.5565 8.5565 8.9855 8.9855 10.4160 10.4160 11.3216 11.3216 11.5374 11.5374 11.9390 11.9390 12.0097 12.0097 15.0907 15.0907 17.4974 17.4974 17.8101 17.8101 k = 0.0625 0.0625-0.0000 ( 2057 PWs) bands (ev): 2.8290 2.8290 3.8353 3.8353 3.8906 3.8906 4.2399 4.2399 4.8237 4.8237 5.5031 5.5031 5.8365 5.8365 6.1840 6.1840 6.6129 6.6129 6.9487 6.9487 7.0397 7.0397 8.5745 8.5745 8.9968 8.9968 10.4496 10.4496 11.3409 11.3409 11.5918 11.5918 11.9395 11.9395 12.0442 12.0442 14.9824 14.9824 17.4246 17.4246 17.8786 17.8786 k = 0.0521 0.0521-0.0000 ( 2061 PWs) bands (ev): 2.8120 2.8120 3.8317 3.8317 3.8884 3.8884 4.2346 4.2346 4.8184 4.8184 5.4985 5.4985 5.8322 5.8322 6.1838 6.1838 6.6141 6.6141 6.9498 6.9498 7.0491 7.0491 8.5904 8.5904 9.0063 9.0063 10.4782 10.4782 11.3571 11.3571 11.6431 11.6431 11.9363 11.9363 12.0753 12.0753 14.8877 14.8877 17.3585 17.3585 17.9342 17.9342 k = 0.0417 0.0417-0.0000 ( 2073 PWs) bands (ev): 2.7981 2.7981 3.8288 3.8288 3.8866 3.8866 4.2302 4.2302 4.8139 4.8139 5.4946 5.4946 5.8286 5.8286 6.1837 6.1837 6.6149 6.6149 6.9505 6.9505 7.0572 7.0572 8.6040 8.6040 9.0141 9.0141 10.5018 10.5018 11.3704 11.3704 11.6908 11.6908 11.9292 11.9292 12.1024 12.1024 14.8079 14.8079 17.3025 17.3025 17.9758 17.9758 k = 0.0312 0.0312-0.0000 ( 2075 PWs) bands (ev): 2.7872 2.7872 3.8264 3.8264 3.8852 3.8852 4.2267 4.2267 4.8104 4.8104 5.4916 5.4916 5.8258 5.8258 6.1836 6.1836 6.6156 6.6156 6.9509 6.9509 7.0637 7.0637 8.6149 8.6149 9.0202 9.0202 10.5203 10.5203 11.3807 11.3807 11.7339 11.7339 11.9184 11.9184 12.1246 12.1246 14.7442 14.7442 17.2580 17.2580 18.0050 18.0050 k = 0.0208 0.0208-0.0000 ( 2075 PWs) bands (ev): 2.7794 2.7794 3.8248 3.8248 3.8842 3.8842 4.2242 4.2242 4.8079 4.8079 5.4895 5.4895 5.8239 5.8239 6.1835 6.1835 6.6160 6.6160 6.9511 6.9511 7.0684 7.0684 8.6229 8.6229 9.0245 9.0245 10.5336 10.5336 11.3880 11.3880 11.7715 11.7715 11.9043 11.9043 12.1411 12.1411 14.6977 14.6977 17.2258 17.2258 18.0239 18.0239 k = 0.0104 0.0104-0.0000 ( 2079 PWs) bands (ev): 2.7747 2.7747 3.8238 3.8238 3.8836 3.8836 4.2227 4.2227 4.8064 4.8064 5.4882 5.4882 5.8227 5.8227 6.1835 6.1835 6.6162 6.6162 6.9512 6.9512 7.0713 7.0713 8.6277 8.6277 9.0271 9.0271 10.5415 10.5415 11.3925 11.3925 11.8010 11.8010 11.8891 11.8891 12.1514 12.1514 14.6694 14.6694 17.2063 17.2063 18.0345 18.0345 k = 0.0000 0.0000 0.0000 ( 2079 PWs) bands (ev): 2.7732 2.7732 3.8235 3.8235 3.8834 3.8834 4.2222 4.2222 4.8059 4.8059 5.4878 5.4878 5.8223 5.8223 6.1835 6.1835 6.6163 6.6163 6.9513 6.9513 7.0722 7.0722 8.6294 8.6294 9.0280 9.0280 10.5442 10.5442 11.3939 11.3939 11.8140 11.8140 11.8809 11.8809 12.1548 12.1548 14.6599 14.6599 17.1998 17.1998 18.0379 18.0379 k = 0.0000 0.0000 0.0000 ( 2079 PWs) bands (ev): 2.7732 2.7732 3.8235 3.8235 3.8834 3.8834 4.2222 4.2222 4.8059 4.8059 5.4878 5.4878 5.8223 5.8223 6.1835 6.1835 6.6163 6.6163 6.9513 6.9513 7.0722 7.0722 8.6294 8.6294 9.0280 9.0280 10.5442 10.5442 11.3939 11.3939 11.8140 11.8140 11.8809 11.8809 12.1548 12.1548 14.6599 14.6599 17.1998 17.1998 18.0379 18.0379 k = 0.0000 0.0000 0.0149 ( 2079 PWs) bands (ev): 2.7751 2.7751 3.8248 3.8248 3.8849 3.8849 4.2226 4.2226 4.8061 4.8061 5.4878 5.4878 5.8219 5.8219 6.1835 6.1835 6.6158 6.6158 6.9506 6.9506 7.0719 7.0719 8.6295 8.6295 9.0291 9.0291 10.5431 10.5431 11.3768 11.3768 11.7409 11.7409 11.9558 11.9558 12.1736 12.1736 14.6595 14.6595 17.1992 17.1992 18.0410 18.0410 k = 0.0000 0.0000 0.0298 ( 2079 PWs) bands (ev): 2.7807 2.7807 3.8286 3.8286 3.8895 3.8895 4.2235 4.2235 4.8065 4.8065 5.4878 5.4878 5.8209 5.8209 6.1836 6.1836 6.6142 6.6142 6.9484 6.9484 7.0710 7.0710 8.6298 8.6298 9.0327 9.0327 10.5398 10.5398 11.3298 11.3298 11.6442 11.6442 12.0578 12.0578 12.2257 12.2257 14.6581 14.6581 17.1975 17.1975 18.0502 18.0502 k = 0.0000 0.0000 0.0447 ( 2079 PWs) bands (ev): 2.7901 2.7901 3.8351 3.8351 3.8971 3.8971 4.2250 4.2250 4.8073 4.8073 5.4879 5.4879 5.8192 5.8192 6.1838 6.1838 6.6116 6.6116 6.9449 6.9449 7.0695 7.0695 8.6303 8.6303 9.0385 9.0385 10.5343 10.5343 11.2620 11.2620 11.5479 11.5479 12.1631 12.1631 12.3021 12.3021 14.6558 14.6558 17.1947 17.1947 18.0655 18.0655 k = 0.0000 0.0000 0.0596 ( 2071 PWs) bands (ev): 2.8031 2.8031 3.8441 3.8441 3.9077 3.9077 4.2271 4.2271 4.8084 4.8084 5.4881 5.4881 5.8169 5.8169 6.1841 6.1841 6.6079 6.6079 6.9400 6.9400 7.0675 7.0675 8.6310 8.6310 9.0467 9.0467 10.5262 10.5262 11.1814 11.1814 11.4535 11.4535 12.2703 12.2703 12.3946 12.3946 14.6526 14.6526 17.1908 17.1908 18.0867 18.0867 k = 0.0000 0.0000 0.0745 ( 2071 PWs) bands (ev): 2.8199 2.8199 3.8557 3.8557 3.9212 3.9212 4.2298 4.2298 4.8098 4.8098 5.4883 5.4883 5.8139 5.8139 6.1845 6.1845 6.6032 6.6032 6.9338 6.9338 7.0650 7.0650 8.6319 8.6319 9.0571 9.0571 10.5154 10.5154 11.0937 11.0937 11.3617 11.3617 12.3791 12.3791 12.4978 12.4978 14.6486 14.6486 17.1856 17.1856 18.1138 18.1138 k = 0.0000 0.0000 0.0894 ( 2079 PWs) bands (ev): 2.8402 2.8402 3.8698 3.8698 3.9375 3.9375 4.2331 4.2331 4.8114 4.8114 5.4887 5.4887 5.8104 5.8104 6.1852 6.1852 6.5974 6.5974 6.9262 6.9262 7.0621 7.0621 8.6331 8.6331 9.0696 9.0696 10.5014 10.5014 11.0022 11.0022 11.2731 11.2731 12.4893 12.4893 12.6084 12.6084 14.6437 14.6437 17.1792 17.1792 18.1465 18.1465 k = 0.0000 0.0000 0.1043 ( 2079 PWs) bands (ev): 2.8641 2.8641 3.8863 3.8863 3.9564 3.9564 4.2370 4.2370 4.8134 4.8134 5.4893 5.4893 5.8063 5.8063 6.1860 6.1860 6.5905 6.5905 6.9174 6.9174 7.0589 7.0589 8.6344 8.6344 9.0841 9.0841 10.4837 10.4837 10.9092 10.9092 11.1882 11.1882 12.6010 12.6010 12.7243 12.7243 14.6381 14.6381 17.1715 17.1715 18.1845 18.1845 k = 0.0000 0.0000 0.1192 ( 2071 PWs) bands (ev): 2.8915 2.8915 3.9053 3.9053 3.9779 3.9779 4.2414 4.2414 4.8157 4.8157 5.4901 5.4901 5.8017 5.8017 6.1872 6.1872 6.5826 6.5826 6.9075 6.9075 7.0555 7.0555 8.6360 8.6360 9.1005 9.1005 10.4617 10.4617 10.8160 10.8160 11.1078 11.1078 12.7140 12.7140 12.8443 12.8443 14.6318 14.6318 17.1623 17.1623 18.2276 18.2276 k = 0.0000 0.0000 0.1341 ( 2071 PWs) bands (ev): 2.9222 2.9222 3.9267 3.9267 4.0017 4.0017 4.2465 4.2465 4.8182 4.8182 5.4914 5.4914 5.7966 5.7966 6.1888 6.1888 6.5735 6.5735 6.8965 6.8965 7.0520 7.0520 8.6378 8.6378 9.1186 9.1186 10.4345 10.4345 10.7236 10.7236 11.0328 11.0328 12.8283 12.8283 12.9675 12.9675 14.6248 14.6248 17.1516 17.1516 18.2755 18.2755 k = 0.0000 0.0000 0.1490 ( 2071 PWs) bands (ev): 2.9562 2.9562 3.9505 3.9505 4.0275 4.0275 4.2521 4.2521 4.8210 4.8210 5.4930 5.4930 5.7912 5.7912 6.1908 6.1908 6.5635 6.5635 6.8844 6.8844 7.0484 7.0484 8.6398 8.6398 9.1380 9.1380 10.4014 10.4014 10.6329 10.6329 10.9641 10.9641 12.9439 12.9439 13.0935 13.0935 14.6173 14.6173 17.1391 17.1391 18.3275 18.3275 k = 0.0000 0.0000 0.1639 ( 2071 PWs) bands (ev): 2.9933 2.9933 3.9765 3.9765 4.0552 4.0552 4.2584 4.2584 4.8241 4.8241 5.4954 5.4954 5.7855 5.7855 6.1933 6.1933 6.5524 6.5524 6.8714 6.8714 7.0449 7.0449 8.6420 8.6420 9.1583 9.1583 10.3617 10.3617 10.5445 10.5445 10.9024 10.9024 13.0606 13.0606 13.2218 13.2218 14.6093 14.6093 17.1246 17.1246 18.3831 18.3831 k = 0.0000 0.0000 0.1788 ( 2059 PWs) bands (ev): 3.0334 3.0334 4.0048 4.0048 4.0844 4.0844 4.2652 4.2652 4.8275 4.8275 5.4985 5.4985 5.7796 5.7796 6.1964 6.1964 6.5403 6.5403 6.8576 6.8576 7.0416 7.0416 8.6445 8.6445 9.1792 9.1792 10.3151 10.3151 10.4594 10.4594 10.8482 10.8482 13.1786 13.1786 13.3521 13.3521 14.6009 14.6009 17.1078 17.1078 18.4416 18.4416 k = 0.0000 0.0000 0.1937 ( 2059 PWs) bands (ev): 3.0763 3.0763 4.0353 4.0353 4.1146 4.1146 4.2727 4.2727 4.8312 4.8312 5.5026 5.5026 5.7737 5.7737 6.2001 6.2001 6.5273 6.5273 6.8431 6.8431 7.0384 7.0384 8.6471 8.6471 9.1999 9.1999 10.2617 10.2617 10.3782 10.3782 10.8011 10.8011 13.2976 13.2976 13.4843 13.4843 14.5924 14.5924 17.0884 17.0884 18.5017 18.5017 k = 0.0000 0.0000 0.2086 ( 2063 PWs) bands (ev): 3.1218 3.1218 4.0678 4.0678 4.1455 4.1455 4.2810 4.2810 4.8352 4.8352 5.5081 5.5081 5.7678 5.7678 6.2045 6.2045 6.5135 6.5135 6.8279 6.8279 7.0356 7.0356 8.6500 8.6500 9.2195 9.2195 10.2025 10.2025 10.3020 10.3020 10.7607 10.7607 13.4176 13.4176 13.6182 13.6182 14.5838 14.5838 17.0660 17.0660 18.5623 18.5623 k = 0.0000 0.0000 0.2235 ( 2063 PWs) bands (ev): 3.1698 3.1698 4.1023 4.1023 4.1764 4.1764 4.2903 4.2903 4.8395 4.8395 5.5150 5.5150 5.7620 5.7620 6.2095 6.2095 6.4989 6.4989 6.8123 6.8123 7.0331 7.0331 8.6531 8.6531 9.2370 9.2370 10.1384 10.1384 10.2321 10.2321 10.7259 10.7259 13.5385 13.5385 13.7537 13.7537 14.5754 14.5754 17.0399 17.0399 18.6211 18.6211 k = 0.0000 0.0000 0.2384 ( 2047 PWs) bands (ev): 3.2199 3.2199 4.1387 4.1387 4.2064 4.2064 4.3009 4.3009 4.8442 4.8442 5.5239 5.5239 5.7567 5.7567 6.2154 6.2154 6.4836 6.4836 6.7963 6.7963 7.0310 7.0310 8.6563 8.6563 9.2508 9.2508 10.0706 10.0706 10.1698 10.1698 10.6957 10.6957 13.6600 13.6600 13.8907 13.8907 14.5676 14.5676 17.0097 17.0097 18.6756 18.6756 k = 0.0000 0.0000 0.2533 ( 2039 PWs) bands (ev): 3.2719 3.2719 4.1768 4.1768 4.2345 4.2345 4.3133 4.3133 4.8493 4.8493 5.5350 5.5350 5.7519 5.7519 6.2221 6.2221 6.4679 6.4679 6.7801 6.7801 7.0293 7.0293 8.6597 8.6597 9.2591 9.2591 10.0003 10.0003 10.1171 10.1171 10.6689 10.6689 13.7817 13.7817 14.0291 14.0291 14.5609 14.5609 16.9746 16.9746 18.7218 18.7218 k = 0.0000 0.0000 0.2682 ( 2039 PWs) bands (ev): 3.3255 3.3255 4.2165 4.2165 4.2595 4.2595 4.3285 4.3285 4.8549 4.8549 5.5486 5.5486 5.7479 5.7479 6.2295 6.2295 6.4517 6.4517 6.7637 6.7637 7.0280 7.0280 8.6632 8.6632 9.2602 9.2602 9.9283 9.9283 10.0757 10.0757 10.6449 10.6449 13.9028 13.9028 14.1688 14.1688 14.5560 14.5560 16.9336 16.9336 18.7550 18.7550 k = 0.0000 0.0000 0.2831 ( 2051 PWs) bands (ev): 3.3803 3.3803 4.2574 4.2574 4.2802 4.2802 4.3468 4.3468 4.8611 4.8611 5.5652 5.5652 5.7449 5.7449 6.2379 6.2379 6.4353 6.4353 6.7474 6.7474 7.0272 7.0272 8.6668 8.6668 9.2523 9.2523 9.8556 9.8556 10.0473 10.0473 10.6229 10.6229 14.0220 14.0220 14.3097 14.3097 14.5543 14.5543 16.8859 16.8859 18.7695 18.7695 k = 0.0000 0.0000 0.2980 ( 2047 PWs) bands (ev): 3.4361 3.4361 4.2968 4.2968 4.2994 4.2994 4.3675 4.3675 4.8681 4.8681 5.5850 5.5850 5.7433 5.7433 6.2471 6.2471 6.4188 6.4188 6.7313 6.7313 7.0269 7.0269 8.6704 8.6704 9.2344 9.2344 9.7827 9.7827 10.0328 10.0328 10.6024 10.6024 14.1367 14.1367 14.4520 14.4520 14.5589 14.5589 16.8303 16.8303 18.7613 18.7613 k = 0.0000 0.0000 0.3129 ( 2047 PWs) bands (ev): 3.4925 3.4925 4.3104 4.3104 4.3421 4.3421 4.3892 4.3892 4.8760 4.8760 5.6083 5.6083 5.7434 5.7434 6.2572 6.2572 6.4024 6.4024 6.7156 6.7156 7.0269 7.0269 8.6740 8.6740 9.2067 9.2067 9.7102 9.7102 10.0319 10.0319 10.5830 10.5830 14.2405 14.2405 14.5758 14.5758 14.5954 14.5954 16.7656 16.7656 18.7297 18.7297 k = 0.0000 0.0000 0.3278 ( 2047 PWs) bands (ev): 3.5490 3.5490 4.3223 4.3223 4.3849 4.3849 4.4102 4.4102 4.8852 4.8852 5.6352 5.6352 5.7455 5.7455 6.2683 6.2683 6.3863 6.3863 6.7004 6.7004 7.0275 7.0275 8.6776 8.6776 9.1702 9.1702 9.6384 9.6384 10.0435 10.0435 10.5646 10.5646 14.3225 14.3225 14.6165 14.6165 14.7399 14.7399 16.6911 16.6911 18.6787 18.6787 k = 0.0000 0.0000 0.3427 ( 2055 PWs) bands (ev): 3.6053 3.6053 4.3329 4.3329 4.4273 4.4273 4.4295 4.4295 4.8960 4.8960 5.6658 5.6658 5.7501 5.7501 6.2804 6.2804 6.3706 6.3706 6.6858 6.6858 7.0284 7.0284 8.6810 8.6810 9.1267 9.1267 9.5678 9.5678 10.0657 10.0657 10.5469 10.5469 14.3729 14.3729 14.6904 14.6904 14.8856 14.8856 16.6056 16.6056 18.6154 18.6154 k = 0.0000 0.0000 0.3576 ( 2055 PWs) bands (ev): 3.6610 3.6610 4.3429 4.3429 4.4464 4.4464 4.4684 4.4684 4.9087 4.9087 5.6998 5.6998 5.7578 5.7578 6.2937 6.2937 6.3555 6.3555 6.6722 6.6722 7.0297 7.0297 8.6841 8.6841 9.0780 9.0780 9.4986 9.4986 10.0965 10.0965 10.5298 10.5298 14.3974 14.3974 14.7923 14.7923 15.0323 15.0323 16.5088 16.5088 18.5471 18.5471 k = 0.0000 0.0000 0.3725 ( 2055 PWs) bands (ev): 3.7156 3.7156 4.3522 4.3522 4.4607 4.4607 4.5075 4.5075 4.9237 4.9237 5.7371 5.7371 5.7690 5.7690 6.3081 6.3081 6.3414 6.3414 6.6597 6.6597 7.0314 7.0314 8.6868 8.6868 9.0256 9.0256 9.4312 9.4312 10.1341 10.1341 10.5132 10.5132 14.4083 14.4083 14.9099 14.9099 15.1801 15.1801 16.4004 16.4004 18.4798 18.4798 k = 0.0000 0.0000 0.3874 ( 2055 PWs) bands (ev): 3.7689 3.7689 4.3611 4.3611 4.4723 4.4723 4.5437 4.5437 4.9413 4.9413 5.7769 5.7769 5.7843 5.7843 6.3240 6.3240 6.3284 6.3284 6.6486 6.6486 7.0335 7.0335 8.6890 8.6890 8.9711 8.9711 9.3659 9.3659 10.1767 10.1767 10.4971 10.4971 14.4130 14.4130 15.0358 15.0358 15.3288 15.3288 16.2809 16.2809 18.4174 18.4174 k = 0.0000 0.0000 0.4022 ( 2059 PWs) bands (ev): 3.8204 3.8204 4.3694 4.3694 4.4811 4.4811 4.5761 4.5761 4.9619 4.9619 5.8043 5.8043 5.8187 5.8187 6.3170 6.3170 6.3416 6.3416 6.6390 6.6390 7.0359 7.0359 8.6904 8.6904 8.9153 8.9153 9.3030 9.3030 10.2231 10.2231 10.4815 10.4815 14.4154 14.4154 15.1664 15.1664 15.4785 15.4785 16.1511 16.1511 18.3626 18.3626 k = 0.0000 0.0000 0.4171 ( 2052 PWs) bands (ev): 3.8698 3.8698 4.3772 4.3772 4.4876 4.4876 4.6041 4.6041 4.9851 4.9851 5.8295 5.8295 5.8613 5.8613 6.3076 6.3076 6.3613 6.3613 6.6313 6.6313 7.0386 7.0386 8.6906 8.6906 8.8593 8.8593 9.2429 9.2429 10.2721 10.2721 10.4662 10.4662 14.4172 14.4172 15.3000 15.3000 15.6291 15.6291 16.0123 16.0123 18.3164 18.3164 k = 0.0000 0.0000 0.4320 ( 2052 PWs) bands (ev): 3.9169 3.9169 4.3842 4.3842 4.4919 4.4919 4.6274 4.6274 5.0106 5.0106 5.8600 5.8600 5.9036 5.9036 6.3009 6.3009 6.3833 6.3833 6.6259 6.6259 7.0416 7.0416 8.6894 8.6894 8.8034 8.8034 9.1862 9.1862 10.3226 10.3226 10.4515 10.4515 14.4195 14.4195 15.4355 15.4355 15.7803 15.7803 15.8660 15.8660 18.2793 18.2793 k = 0.0000 0.0000 0.4469 ( 2052 PWs) bands (ev): 3.9614 3.9614 4.3905 4.3905 4.4944 4.4944 4.6463 4.6463 5.0376 5.0376 5.8956 5.8956 5.9443 5.9443 6.2978 6.2978 6.4082 6.4082 6.6232 6.6232 7.0449 7.0449 8.6863 8.6863 8.7483 8.7483 9.1333 9.1333 10.3738 10.3738 10.4372 10.4372 14.4228 14.4228 15.5726 15.5726 15.7132 15.7132 15.9330 15.9330 18.2513 18.2513 k = 0.0000 0.0000 0.4618 ( 2048 PWs) bands (ev): 4.0032 4.0032 4.3958 4.3958 4.4956 4.4956 4.6611 4.6611 5.0650 5.0650 5.9353 5.9353 5.9822 5.9822 6.3000 6.3000 6.4360 6.4360 6.6239 6.6239 7.0485 7.0485 8.6805 8.6805 8.6943 8.6943 9.0849 9.0849 10.4234 10.4234 10.4247 10.4247 14.4278 14.4278 15.5566 15.5566 15.7106 15.7106 16.0860 16.0860 18.2321 18.2321 k = 0.0000 0.0000 0.4767 ( 2044 PWs) bands (ev): 4.0422 4.0422 4.3998 4.3998 4.4959 4.4959 4.6723 4.6723 5.0920 5.0920 5.9767 5.9767 6.0160 6.0160 6.3100 6.3100 6.4661 6.4661 6.6292 6.6292 7.0523 7.0523 8.6417 8.6417 8.6715 8.6715 9.0418 9.0418 10.4102 10.4102 10.4745 10.4745 14.4347 14.4347 15.3973 15.3973 15.8494 15.8494 16.2397 16.2397 18.2211 18.2211 k = 0.0000 0.0000 0.4916 ( 2056 PWs) bands (ev): 4.0782 4.0782 4.4024 4.4024 4.4960 4.4960 4.6806 4.6806 5.1179 5.1179 6.0164 6.0164 6.0450 6.0450 6.3313 6.3313 6.4967 6.4967 6.6409 6.6409 7.0564 7.0564 8.5907 8.5907 8.6585 8.6585 9.0047 9.0047 10.3976 10.3976 10.5223 10.5223 14.4438 14.4438 15.2370 15.2370 15.9886 15.9886 16.3941 16.3941 18.2180 18.2180 k = 0.0000 0.0000 0.5065 ( 2052 PWs) bands (ev): 4.1113 4.1113 4.4033 4.4033 4.4961 4.4961 4.6864 4.6864 5.1423 5.1423 6.0501 6.0501 6.0689 6.0689 6.3677 6.3677 6.5250 6.5250 6.6618 6.6618 7.0609 7.0609 8.5415 8.5415 8.6411 8.6411 8.9741 8.9741 10.3856 10.3856 10.5672 10.5672 14.4554 14.4554 15.0772 15.0772 16.1278 16.1278 16.5489 16.5489 18.2225 18.2225 k = 0.0000 0.0000 0.5214 ( 2056 PWs) bands (ev): 4.1414 4.1414 4.4024 4.4024 4.4967 4.4967 4.6903 4.6903 5.1649 5.1649 6.0752 6.0752 6.0879 6.0879 6.4213 6.4213 6.5481 6.5481 6.6939 6.6939 7.0658 7.0658 8.4943 8.4943 8.6193 8.6193 8.9500 8.9500 10.3743 10.3743 10.6082 10.6082 14.4698 14.4698 14.9193 14.9193 16.2668 16.2668 16.7043 16.7043 18.2342 18.2342 k = 0.0000 0.0000 0.5363 ( 2056 PWs) bands (ev): 4.1686 4.1686 4.3998 4.3998 4.4980 4.4980 4.6926 4.6926 5.1857 5.1857 6.0920 6.0920 6.1025 6.1025 6.4909 6.4909 6.5659 6.5659 6.7363 6.7363 7.0712 7.0712 8.4492 8.4492 8.5937 8.5937 8.9319 8.9319 10.3637 10.3637 10.6444 10.6444 14.4870 14.4870 14.7648 14.7648 16.4052 16.4052 16.8600 16.8600 18.2528 18.2528 k = 0.0000 0.0000 0.5512 ( 2056 PWs) bands (ev): 4.1931 4.1931 4.3956 4.3956 4.5000 4.5000 4.6936 4.6936 5.2049 5.2049 6.1025 6.1025 6.1133 6.1133 6.5732 6.5732 6.5800 6.5800 6.7860 6.7860 7.0776 7.0776 8.4063 8.4063 8.5650 8.5650 8.9189 8.9189 10.3539 10.3539 10.6748 10.6748 14.5074 14.5074 14.6151 14.6151 16.5424 16.5424 17.0159 17.0159 18.2784 18.2784 k = 0.0000 0.0000 0.5661 ( 2056 PWs) bands (ev): 4.2149 4.2149 4.3901 4.3901 4.5025 4.5025 4.6937 4.6937 5.2226 5.2226 6.1091 6.1091 6.1210 6.1210 6.5922 6.5922 6.6644 6.6644 6.8402 6.8402 7.0854 7.0854 8.3658 8.3658 8.5345 8.5345 8.9100 8.9100 10.3449 10.3449 10.6984 10.6984 14.4714 14.4714 14.5310 14.5310 16.6779 16.6779 17.1718 17.1718 18.3106 18.3106 k = 0.0000 0.0000 0.5810 ( 2056 PWs) bands (ev): 4.2341 4.2341 4.3836 4.3836 4.5054 4.5054 4.6929 4.6929 5.2389 5.2389 6.1133 6.1133 6.1263 6.1263 6.6033 6.6033 6.7606 6.7606 6.8967 6.8967 7.0961 7.0961 8.3277 8.3277 8.5032 8.5032 8.9041 8.9041 10.3367 10.3367 10.7140 10.7140 14.3351 14.3351 14.5580 14.5580 16.8109 16.8109 17.3276 17.3276 18.3496 18.3496 k = 0.0000 0.0000 0.5959 ( 2052 PWs) bands (ev): 4.2510 4.2510 4.3765 4.3765 4.5086 4.5086 4.6916 4.6916 5.2540 5.2540 6.1163 6.1163 6.1297 6.1297 6.6139 6.6139 6.8564 6.8564 6.9539 6.9539 7.1131 7.1131 8.2923 8.2923 8.4718 8.4718 8.9004 8.9004 10.3293 10.3293 10.7210 10.7210 14.2072 14.2072 14.5882 14.5882 16.9404 16.9404 17.4830 17.4830 18.3953 18.3953 k = 0.0000 0.0000 0.6108 ( 2052 PWs) bands (ev): 4.2657 4.2657 4.3690 4.3690 4.5119 4.5119 4.6897 4.6897 5.2679 5.2679 6.1184 6.1184 6.1316 6.1316 6.6241 6.6241 6.9417 6.9417 7.0106 7.0106 7.1447 7.1447 8.2596 8.2596 8.4411 8.4411 8.8984 8.8984 10.3228 10.3228 10.7183 10.7183 14.0889 14.0889 14.6218 14.6218 17.0651 17.0651 17.6378 17.6378 18.4477 18.4477 k = 0.0000 0.0000 0.6257 ( 2052 PWs) bands (ev): 4.2784 4.2784 4.3614 4.3614 4.5152 4.5152 4.6876 4.6876 5.2807 5.2807 6.1203 6.1203 6.1325 6.1325 6.6339 6.6339 7.0014 7.0014 7.0660 7.0660 7.2046 7.2046 8.2299 8.2299 8.4115 8.4115 8.8974 8.8974 10.3170 10.3170 10.7056 10.7056 13.9810 13.9810 14.6585 14.6585 17.1834 17.1834 17.7916 17.7916 18.5068 18.5068 k = 0.0000 0.0000 0.6406 ( 2056 PWs) bands (ev): 4.2892 4.2892 4.3539 4.3539 4.5183 4.5183 4.6852 4.6852 5.2925 5.2925 6.1220 6.1220 6.1326 6.1326 6.6434 6.6434 7.0332 7.0332 7.1191 7.1191 7.2935 7.2935 8.2035 8.2035 8.3835 8.3835 8.8972 8.8972 10.3121 10.3121 10.6826 10.6826 13.8841 13.8841 14.6981 14.6981 17.2928 17.2928 17.9440 17.9440 18.5725 18.5725 k = 0.0000 0.0000 0.6555 ( 2064 PWs) bands (ev): 4.2985 4.2985 4.3465 4.3465 4.5213 4.5213 4.6828 4.6828 5.3034 5.3034 6.1237 6.1237 6.1322 6.1322 6.6525 6.6525 7.0499 7.0499 7.1695 7.1695 7.3970 7.3970 8.1808 8.1808 8.3572 8.3572 8.8975 8.8975 10.3079 10.3079 10.6494 10.6494 13.7985 13.7985 14.7402 14.7402 17.3904 17.3904 18.0943 18.0943 18.6448 18.6448 k = 0.0000 0.0000 0.6704 ( 2048 PWs) bands (ev): 4.3062 4.3062 4.3395 4.3395 4.5241 4.5241 4.6803 4.6803 5.3133 5.3133 6.1253 6.1253 6.1314 6.1314 6.6610 6.6610 7.0598 7.0598 7.2166 7.2166 7.5046 7.5046 8.1625 8.1625 8.3330 8.3330 8.8981 8.8981 10.3044 10.3044 10.6069 10.6069 13.7243 13.7243 14.7843 14.7843 17.4722 17.4722 18.2421 18.2421 18.7237 18.7237 k = 0.0000 0.0000 0.6853 ( 2056 PWs) bands (ev): 4.3127 4.3127 4.3330 4.3330 4.5267 4.5267 4.6779 4.6779 5.3221 5.3221 6.1270 6.1270 6.1304 6.1304 6.6689 6.6689 7.0666 7.0666 7.2598 7.2598 7.6102 7.6102 8.1499 8.1499 8.3110 8.3110 8.8989 8.8989 10.3015 10.3015 10.5561 10.5561 13.6611 13.6611 14.8296 14.8296 17.5339 17.5339 18.3862 18.3862 18.8084 18.8084 k = 0.0000 0.0000 0.7002 ( 2052 PWs) bands (ev): 4.3180 4.3180 4.3271 4.3271 4.5290 4.5290 4.6756 4.6756 5.3300 5.3300 6.1286 6.1286 6.1294 6.1294 6.6761 6.6761 7.0715 7.0715 7.2989 7.2989 7.7087 7.7087 8.1450 8.1450 8.2912 8.2912 8.8997 8.8997 10.2992 10.2992 10.4990 10.4990 13.6083 13.6083 14.8751 14.8751 17.5718 17.5718 18.5255 18.5255 18.8752 18.8752 k = 0.0000 0.0000 0.7151 ( 2052 PWs) bands (ev): 4.3218 4.3218 4.3224 4.3224 4.5310 4.5310 4.6735 4.6735 5.3369 5.3369 6.1283 6.1283 6.1301 6.1301 6.6825 6.6825 7.0753 7.0753 7.3334 7.3334 7.7938 7.7938 8.1512 8.1512 8.2740 8.2740 8.9005 8.9005 10.2974 10.2974 10.4379 10.4379 13.5652 13.5652 14.9197 14.9197 17.5849 17.5849 18.6583 18.6583 18.8299 18.8299 k = 0.0000 0.0000 0.7300 ( 2044 PWs) bands (ev): 4.3172 4.3172 4.3258 4.3258 4.5327 4.5327 4.6716 4.6716 5.3427 5.3427 6.1274 6.1274 6.1315 6.1315 6.6881 6.6881 7.0782 7.0782 7.3631 7.3631 7.8590 7.8590 8.1724 8.1724 8.2592 8.2592 8.9012 8.9012 10.2961 10.2961 10.3759 10.3759 13.5308 13.5308 14.9619 14.9619 17.5763 17.5763 18.7823 18.7823 18.8127 18.8127 k = 0.0000 0.0000 0.7449 ( 2048 PWs) bands (ev): 4.3134 4.3134 4.3285 4.3285 4.5341 4.5341 4.6700 4.6700 5.3475 5.3475 6.1265 6.1265 6.1327 6.1327 6.6927 6.6927 7.0804 7.0804 7.3877 7.3877 7.9012 7.9012 8.2084 8.2084 8.2470 8.2470 8.9019 8.9019 10.2951 10.2951 10.3166 10.3166 13.5042 13.5042 15.0000 15.0000 17.5534 17.5534 18.8159 18.8159 18.8941 18.8941 k = 0.0000 0.0000 0.7598 ( 2044 PWs) bands (ev): 4.3104 4.3104 4.3305 4.3305 4.5352 4.5352 4.6687 4.6687 5.3512 5.3512 6.1258 6.1258 6.1337 6.1337 6.6964 6.6964 7.0821 7.0821 7.4071 7.4071 7.9243 7.9243 8.2375 8.2375 8.2520 8.2520 8.9024 8.9024 10.2640 10.2640 10.2944 10.2944 13.4846 13.4846 15.0322 15.0322 17.5248 17.5248 18.8303 18.8303 18.9894 18.9894 k = 0.0000 0.0000 0.7747 ( 2044 PWs) bands (ev): 4.3082 4.3082 4.3319 4.3319 4.5359 4.5359 4.6678 4.6678 5.3539 5.3539 6.1253 6.1253 6.1345 6.1345 6.6990 6.6990 7.0833 7.0833 7.4210 7.4210 7.9356 7.9356 8.2306 8.2306 8.2920 8.2920 8.9028 8.9028 10.2223 10.2223 10.2939 10.2939 13.4711 13.4711 15.0569 15.0569 17.4984 17.4984 18.8472 18.8472 19.0629 19.0629 k = 0.0000 0.0000 0.7896 ( 2044 PWs) bands (ev): 4.3069 4.3069 4.3327 4.3327 4.5364 4.5364 4.6673 4.6673 5.3555 5.3555 6.1250 6.1250 6.1349 6.1349 6.7006 6.7006 7.0840 7.0840 7.4294 7.4294 7.9406 7.9406 8.2265 8.2265 8.3195 8.3195 8.9030 8.9030 10.1953 10.1953 10.2936 10.2936 13.4633 13.4633 15.0723 15.0723 17.4801 17.4801 18.8602 18.8602 19.1097 19.1097 k = 0.0000 0.0000 0.8045 ( 2044 PWs) bands (ev): 4.3065 4.3065 4.3330 4.3330 4.5366 4.5366 4.6671 4.6671 5.3561 5.3561 6.1249 6.1249 6.1351 6.1351 6.7011 6.7011 7.0842 7.0842 7.4322 7.4322 7.9420 7.9420 8.2251 8.2251 8.3293 8.3293 8.9031 8.9031 10.1860 10.1860 10.2936 10.2936 13.4607 13.4607 15.0776 15.0776 17.4737 17.4737 18.8649 18.8649 19.1258 19.1258 k = 0.0000 0.0000 0.8045 ( 2044 PWs) bands (ev): 4.3065 4.3065 4.3330 4.3330 4.5366 4.5366 4.6671 4.6671 5.3561 5.3561 6.1249 6.1249 6.1351 6.1351 6.7011 6.7011 7.0842 7.0842 7.4322 7.4322 7.9420 7.9420 8.2251 8.2251 8.3293 8.3293 8.9031 8.9031 10.1860 10.1860 10.2936 10.2936 13.4607 13.4607 15.0776 15.0776 17.4737 17.4737 18.8649 18.8649 19.1258 19.1258 k = 0.0000 0.0147 0.8045 ( 2052 PWs) bands (ev): 4.3061 4.3061 4.3325 4.3325 4.5366 4.5366 4.6670 4.6670 5.3555 5.3555 6.1238 6.1238 6.1353 6.1353 6.6984 6.6984 7.0821 7.0821 7.4298 7.4298 7.9468 7.9468 8.2280 8.2280 8.3326 8.3326 8.9046 8.9046 10.1869 10.1869 10.2943 10.2943 13.4604 13.4604 15.0767 15.0767 17.4681 17.4681 18.8559 18.8559 19.1208 19.1208 k = 0.0000 0.0294 0.8045 ( 2060 PWs) bands (ev): 4.3048 4.3048 4.3314 4.3314 4.5367 4.5367 4.6669 4.6669 5.3537 5.3537 6.1207 6.1207 6.1360 6.1360 6.6903 6.6903 7.0758 7.0758 7.4227 7.4227 7.9606 7.9606 8.2364 8.2364 8.3423 8.3423 8.9092 8.9092 10.1895 10.1895 10.2965 10.2965 13.4594 13.4594 15.0741 15.0741 17.4514 17.4514 18.8284 18.8284 19.1085 19.1085 k = 0.0000 0.0441 0.8045 ( 2060 PWs) bands (ev): 4.3023 4.3023 4.3298 4.3298 4.5368 4.5368 4.6668 4.6668 5.3508 5.3508 6.1157 6.1157 6.1373 6.1373 6.6771 6.6771 7.0655 7.0655 7.4118 7.4118 7.9821 7.9821 8.2502 8.2502 8.3583 8.3583 8.9171 8.9171 10.1939 10.1939 10.3002 10.3002 13.4577 13.4577 15.0697 15.0697 17.4233 17.4233 18.7822 18.7822 19.0938 19.0938 k = 0.0000 0.0588 0.8045 ( 2064 PWs) bands (ev): 4.2981 4.2981 4.3285 4.3285 4.5371 4.5371 4.6665 4.6665 5.3468 5.3468 6.1089 6.1089 6.1390 6.1390 6.6592 6.6592 7.0518 7.0518 7.3981 7.3981 8.0093 8.0093 8.2694 8.2694 8.3802 8.3802 8.9285 8.9285 10.2002 10.2002 10.3053 10.3053 13.4554 13.4554 15.0635 15.0635 17.3832 17.3832 18.7200 18.7200 19.0804 19.0804 k = 0.0000 0.0735 0.8045 ( 2064 PWs) bands (ev): 4.2918 4.2918 4.3276 4.3276 4.5374 4.5374 4.6662 4.6662 5.3417 5.3417 6.1004 6.1004 6.1412 6.1412 6.6373 6.6373 7.0351 7.0351 7.3825 7.3825 8.0403 8.0403 8.2936 8.2936 8.4074 8.4074 8.9440 8.9440 10.2082 10.2082 10.3118 10.3118 13.4523 13.4523 15.0556 15.0556 17.3307 17.3307 18.6465 18.6465 19.0691 19.0691 k = 0.0000 0.0882 0.8045 ( 2062 PWs) bands (ev): 4.2833 4.2833 4.3275 4.3275 4.5378 4.5378 4.6657 4.6657 5.3357 5.3357 6.0907 6.0907 6.1438 6.1438 6.6118 6.6118 7.0159 7.0159 7.3657 7.3657 8.0732 8.0732 8.3225 8.3225 8.4392 8.4392 8.9641 8.9641 10.2181 10.2181 10.3197 10.3197 13.4484 13.4484 15.0461 15.0461 17.2656 17.2656 18.5673 18.5673 19.0594 19.0594 k = 0.0000 0.1029 0.8045 ( 2066 PWs) bands (ev): 4.2727 4.2727 4.3280 4.3280 4.5384 4.5384 4.6652 4.6652 5.3288 5.3288 6.0798 6.0798 6.1469 6.1469 6.5835 6.5835 6.9948 6.9948 7.3482 7.3482 8.1066 8.1066 8.3555 8.3555 8.4745 8.4745 8.9895 8.9895 10.2299 10.2299 10.3291 10.3291 13.4436 13.4436 15.0348 15.0348 17.1877 17.1877 18.4868 18.4868 19.0508 19.0508 k = 0.0000 0.1176 0.8045 ( 2066 PWs) bands (ev): 4.2602 4.2602 4.3290 4.3290 4.5391 4.5391 4.6645 4.6645 5.3210 5.3210 6.0681 6.0681 6.1505 6.1505 6.5531 6.5531 6.9722 6.9722 7.3302 7.3302 8.1395 8.1395 8.3919 8.3919 8.5121 8.5121 9.0213 9.0213 10.2436 10.2436 10.3398 10.3398 13.4379 13.4379 15.0220 15.0220 17.0974 17.0974 18.4083 18.4083 19.0435 19.0435 k = 0.0000 0.1324 0.8045 ( 2062 PWs) bands (ev): 4.2461 4.2461 4.3305 4.3305 4.5399 4.5399 4.6636 4.6636 5.3126 5.3126 6.0558 6.0558 6.1543 6.1543 6.5213 6.5213 6.9484 6.9484 7.3119 7.3119 8.1713 8.1713 8.4306 8.4306 8.5509 8.5509 9.0603 9.0603 10.2592 10.2592 10.3520 10.3520 13.4312 13.4312 15.0076 15.0076 16.9955 16.9955 18.3338 18.3338 19.0378 19.0378 k = 0.0000 0.1471 0.8045 ( 2062 PWs) bands (ev): 4.2305 4.2305 4.3323 4.3323 4.5408 4.5408 4.6625 4.6625 5.3036 5.3036 6.0431 6.0431 6.1583 6.1583 6.4889 6.4889 6.9240 6.9240 7.2933 7.2933 8.2018 8.2018 8.4709 8.4709 8.5894 8.5894 9.1073 9.1073 10.2767 10.2767 10.3656 10.3656 13.4234 13.4234 14.9917 14.9917 16.8831 16.8831 18.2647 18.2647 19.0345 19.0345 k = 0.0000 0.1618 0.8045 ( 2058 PWs) bands (ev): 4.2137 4.2137 4.3344 4.3344 4.5419 4.5419 4.6613 4.6613 5.2942 5.2942 6.0303 6.0303 6.1623 6.1623 6.4565 6.4565 6.8992 6.8992 7.2746 7.2746 8.2309 8.2309 8.5116 8.5116 8.6266 8.6266 9.1628 9.1628 10.2960 10.2960 10.3808 10.3808 13.4143 13.4143 14.9743 14.9743 16.7618 16.7618 18.2014 18.2014 19.0342 19.0342 k = 0.0000 0.1765 0.8045 ( 2058 PWs) bands (ev): 4.1957 4.1957 4.3368 4.3368 4.5429 4.5429 4.6599 4.6599 5.2844 5.2844 6.0174 6.0174 6.1660 6.1660 6.4248 6.4248 6.8743 6.8743 7.2555 7.2555 8.2585 8.2585 8.5520 8.5520 8.6619 8.6619 9.2268 9.2268 10.3170 10.3170 10.3977 10.3977 13.4039 13.4039 14.9557 14.9557 16.6331 16.6331 18.1441 18.1441 19.0374 19.0374 k = 0.0000 0.1912 0.8045 ( 2058 PWs) bands (ev): 4.1769 4.1769 4.3394 4.3394 4.5440 4.5440 4.6583 4.6583 5.2744 5.2744 6.0047 6.0047 6.1689 6.1689 6.3949 6.3949 6.8496 6.8496 7.2363 7.2363 8.2848 8.2848 8.5914 8.5914 8.6950 8.6950 9.2988 9.2988 10.3394 10.3394 10.4166 10.4166 13.3918 13.3918 14.9358 14.9358 16.4987 16.4987 18.0927 18.0927 19.0443 19.0443 k = 0.0000 0.2059 0.8045 ( 2058 PWs) bands (ev): 4.1574 4.1574 4.3423 4.3423 4.5451 4.5451 4.6565 4.6565 5.2643 5.2643 5.9922 5.9922 6.1701 6.1701 6.3678 6.3678 6.8251 6.8251 7.2168 7.2168 8.3098 8.3098 8.6291 8.6291 8.7261 8.7261 9.3779 9.3779 10.3630 10.3630 10.4376 10.4376 13.3781 13.3781 14.9148 14.9148 16.3601 16.3601 18.0472 18.0472 19.0549 19.0549 k = 0.0000 0.2206 0.8045 ( 2052 PWs) bands (ev): 4.1374 4.1374 4.3454 4.3454 4.5460 4.5460 4.6546 4.6546 5.2541 5.2541 5.9801 5.9801 6.1687 6.1687 6.3448 6.3448 6.8013 6.8013 7.1969 7.1969 8.3334 8.3334 8.6648 8.6648 8.7555 8.7555 9.4630 9.4630 10.3877 10.3877 10.4613 10.4613 13.3624 13.3624 14.8928 14.8928 16.2188 16.2188 18.0073 18.0073 19.0692 19.0692 k = 0.0000 0.2353 0.8045 ( 2060 PWs) bands (ev): 4.1172 4.1172 4.3487 4.3487 4.5468 4.5468 4.6525 4.6525 5.2441 5.2441 5.9685 5.9685 6.1632 6.1632 6.3274 6.3274 6.7782 6.7782 7.1768 7.1768 8.3557 8.3557 8.6980 8.6980 8.7836 8.7836 9.5527 9.5527 10.4130 10.4130 10.4880 10.4880 13.3445 13.3445 14.8699 14.8699 16.0763 16.0763 17.9727 17.9727 19.0868 19.0868 k = 0.0000 0.2500 0.8045 ( 2064 PWs) bands (ev): 4.0968 4.0968 4.3521 4.3521 4.5473 4.5473 4.6504 4.6504 5.2343 5.2343 5.9573 5.9573 6.1530 6.1530 6.3166 6.3166 6.7561 6.7561 7.1564 7.1564 8.3766 8.3766 8.7286 8.7286 8.8107 8.8107 9.6455 9.6455 10.4390 10.4390 10.5181 10.5181 13.3242 13.3242 14.8461 14.8461 15.9338 15.9338 17.9433 17.9433 19.1077 19.1077 k = 0.0000 0.2647 0.8045 ( 2058 PWs) bands (ev): 4.0765 4.0765 4.3558 4.3558 4.5475 4.5475 4.6483 4.6483 5.2248 5.2248 5.9468 5.9468 6.1382 6.1382 6.3121 6.3121 6.7351 6.7351 7.1357 7.1357 8.3961 8.3961 8.7565 8.7565 8.8368 8.8368 9.7398 9.7398 10.4659 10.4659 10.5518 10.5518 13.3010 13.3010 14.8214 14.8214 15.7929 15.7929 17.9188 17.9188 19.1313 19.1313 k = 0.0000 0.2794 0.8045 ( 2062 PWs) bands (ev): 4.0564 4.0564 4.3596 4.3596 4.5472 4.5472 4.6463 4.6463 5.2156 5.2156 5.9368 5.9368 6.1200 6.1200 6.3129 6.3129 6.7154 6.7154 7.1148 7.1148 8.4142 8.4142 8.7819 8.7819 8.8620 8.8620 9.8337 9.8337 10.4940 10.4940 10.5897 10.5897 13.2748 13.2748 14.7957 14.7957 15.6547 15.6547 17.8990 17.8990 19.1575 19.1575 k = 0.0000 0.2941 0.8045 ( 2066 PWs) bands (ev): 4.0369 4.0369 4.3636 4.3636 4.5464 4.5464 4.6444 4.6444 5.2068 5.2068 5.9275 5.9275 6.0999 6.0999 6.3173 6.3173 6.6972 6.6972 7.0936 7.0936 8.4310 8.4310 8.8051 8.8051 8.8860 8.8860 9.9250 9.9250 10.5238 10.5238 10.6324 10.6324 13.2449 13.2449 14.7689 14.7689 15.5208 15.5208 17.8836 17.8836 19.1857 19.1857 k = 0.0000 0.3088 0.8045 ( 2058 PWs) bands (ev): 4.0179 4.0179 4.3677 4.3677 4.5451 4.5451 4.6428 4.6428 5.1985 5.1985 5.9190 5.9190 6.0791 6.0791 6.3242 6.3242 6.6807 6.6807 7.0722 7.0722 8.4465 8.4465 8.8262 8.8262 8.9087 8.9087 10.0112 10.0112 10.5554 10.5554 10.6812 10.6812 13.2111 13.2111 14.7405 14.7405 15.3930 15.3930 17.8723 17.8723 19.2157 19.2157 k = 0.0000 0.3235 0.8045 ( 2060 PWs) bands (ev): 3.9997 3.9997 4.3720 4.3720 4.5431 4.5431 4.6414 4.6414 5.1907 5.1907 5.9111 5.9111 6.0584 6.0584 6.3325 6.3325 6.6660 6.6660 7.0507 7.0507 8.4606 8.4606 8.8455 8.8455 8.9299 8.9299 10.0896 10.0896 10.5887 10.5887 10.7377 10.7377 13.1727 13.1727 14.7098 14.7098 15.2732 15.2732 17.8649 17.8649 19.2469 19.2469 k = 0.0000 0.3382 0.8045 ( 2060 PWs) bands (ev): 3.9825 3.9825 4.3763 4.3763 4.5405 4.5405 4.6404 4.6404 5.1835 5.1835 5.9041 5.9041 6.0384 6.0384 6.3415 6.3415 6.6535 6.6535 7.0292 7.0292 8.4735 8.4735 8.8631 8.8631 8.9495 8.9495 10.1583 10.1583 10.6228 10.6228 10.8039 10.8039 13.1293 13.1293 14.6758 14.6758 15.1637 15.1637 17.8608 17.8608 19.2789 19.2789 k = 0.0000 0.3529 0.8045 ( 2068 PWs) bands (ev): 3.9662 3.9662 4.3808 4.3808 4.5373 4.5373 4.6398 4.6398 5.1768 5.1768 5.8978 5.8978 6.0193 6.0193 6.3507 6.3507 6.6432 6.6432 7.0077 7.0077 8.4850 8.4850 8.8792 8.8792 8.9673 8.9673 10.2161 10.2161 10.6568 10.6568 10.8808 10.8808 13.0804 13.0804 14.6374 14.6374 15.0671 15.0671 17.8596 17.8596 19.3112 19.3112 k = 0.0000 0.3676 0.8045 ( 2064 PWs) bands (ev): 3.9512 3.9512 4.3853 4.3853 4.5336 4.5336 4.6394 4.6394 5.1708 5.1708 5.8924 5.8924 6.0014 6.0014 6.3596 6.3596 6.6354 6.6354 6.9865 6.9865 8.4954 8.4954 8.8938 8.8938 8.9834 8.9834 10.2632 10.2632 10.6895 10.6895 10.9682 10.9682 13.0255 13.0255 14.5937 14.5937 14.9856 14.9856 17.8610 17.8610 19.3434 19.3434 k = 0.0000 0.3824 0.8045 ( 2064 PWs) bands (ev): 3.9375 3.9375 4.3898 4.3898 4.5294 4.5294 4.6394 4.6394 5.1654 5.1654 5.8879 5.8879 5.9848 5.9848 6.3678 6.3678 6.6302 6.6302 6.9656 6.9656 8.5045 8.5045 8.9069 8.9069 8.9977 8.9977 10.3008 10.3008 10.7201 10.7201 11.0645 11.0645 12.9644 12.9644 14.5448 14.5448 14.9201 14.9201 17.8644 17.8644 19.3747 19.3747 k = 0.0000 0.3971 0.8045 ( 2060 PWs) bands (ev): 3.9251 3.9251 4.3942 4.3942 4.5250 4.5250 4.6395 4.6395 5.1606 5.1606 5.8842 5.8842 5.9697 5.9697 6.3749 6.3749 6.6275 6.6275 6.9453 6.9453 8.5125 8.5125 8.9186 8.9186 9.0102 9.0102 10.3306 10.3306 10.7480 10.7480 11.1673 11.1673 12.8972 12.8972 14.4927 14.4927 14.8698 14.8698 17.8693 17.8693 19.4047 19.4047 k = 0.0000 0.4118 0.8045 ( 2056 PWs) bands (ev): 3.9142 3.9142 4.3986 4.3986 4.5205 4.5205 4.6398 4.6398 5.1564 5.1564 5.8815 5.8815 5.9560 5.9560 6.3809 6.3809 6.6273 6.6273 6.9260 6.9260 8.5194 8.5194 8.9287 8.9287 9.0210 9.0210 10.3539 10.3539 10.7729 10.7729 11.2740 11.2740 12.8244 12.8244 14.4409 14.4409 14.8321 14.8321 17.8751 17.8751 19.4326 19.4326 k = 0.0000 0.4265 0.8045 ( 2056 PWs) bands (ev): 3.9049 3.9049 4.4027 4.4027 4.5161 4.5161 4.6402 4.6402 5.1529 5.1529 5.8796 5.8796 5.9439 5.9439 6.3856 6.3856 6.6292 6.6292 6.9079 6.9079 8.5252 8.5252 8.9373 8.9373 9.0300 9.0300 10.3721 10.3721 10.7944 10.7944 11.3816 11.3816 12.7473 12.7473 14.3927 14.3927 14.8042 14.8042 17.8812 17.8812 19.4579 19.4579 k = 0.0000 0.4412 0.8045 ( 2060 PWs) bands (ev): 3.8972 3.8972 4.4064 4.4064 4.5119 4.5119 4.6406 4.6406 5.1501 5.1501 5.8786 5.8786 5.9334 5.9334 6.3891 6.3891 6.6325 6.6325 6.8916 6.8916 8.5298 8.5298 8.9444 8.9444 9.0374 9.0374 10.3860 10.3860 10.8124 10.8124 11.4866 11.4866 12.6681 12.6681 14.3508 14.3508 14.7837 14.7837 17.8871 17.8871 19.4798 19.4798 k = 0.0000 0.4559 0.8045 ( 2060 PWs) bands (ev): 3.8911 3.8911 4.4096 4.4096 4.5084 4.5084 4.6409 4.6409 5.1478 5.1478 5.8783 5.8783 5.9248 5.9248 6.3916 6.3916 6.6367 6.6367 6.8777 6.8777 8.5335 8.5335 8.9500 8.9500 9.0431 9.0431 10.3963 10.3963 10.8266 10.8266 11.5845 11.5845 12.5907 12.5907 14.3169 14.3169 14.7692 14.7692 17.8923 17.8923 19.4977 19.4977 k = 0.0000 0.4706 0.8045 ( 2064 PWs) bands (ev): 3.8868 3.8868 4.4121 4.4121 4.5055 4.5055 4.6412 4.6412 5.1462 5.1462 5.8785 5.8785 5.9181 5.9181 6.3932 6.3932 6.6407 6.6407 6.8669 6.8669 8.5360 8.5360 8.9539 8.9539 9.0472 9.0472 10.4034 10.4034 10.8368 10.8368 11.6681 11.6681 12.5218 12.5218 14.2922 14.2922 14.7594 14.7594 17.8964 17.8964 19.5110 19.5110 k = 0.0000 0.4853 0.8045 ( 2060 PWs) bands (ev): 3.8842 3.8842 4.4136 4.4136 4.5038 4.5038 4.6414 4.6414 5.1453 5.1453 5.8789 5.8789 5.9139 5.9139 6.3941 6.3941 6.6435 6.6435 6.8600 6.8600 8.5376 8.5376 8.9563 8.9563 9.0496 9.0496 10.4075 10.4075 10.8431 10.8431 11.7271 11.7271 12.4716 12.4716 14.2773 14.2773 14.7537 14.7537 17.8990 17.8990 19.5192 19.5192 k = 0.0000 0.5000 0.8045 ( 2064 PWs) bands (ev): 3.8833 3.8833 4.4142 4.4142 4.5031 4.5031 4.6415 4.6415 5.1449 5.1449 5.8791 5.8791 5.9124 5.9124 6.3944 6.3944 6.6446 6.6446 6.8577 6.8577 8.5381 8.5381 8.9571 8.9571 9.0504 9.0504 10.4089 10.4089 10.8451 10.8451 11.7489 11.7489 12.4528 12.4528 14.2722 14.2722 14.7519 14.7519 17.8998 17.8998 19.5219 19.5219 k = 0.0000 0.5000 0.8045 ( 2064 PWs) bands (ev): 3.8833 3.8833 4.4142 4.4142 4.5031 4.5031 4.6415 4.6415 5.1449 5.1449 5.8791 5.8791 5.9124 5.9124 6.3944 6.3944 6.6446 6.6446 6.8577 6.8577 8.5381 8.5381 8.9571 8.9571 9.0504 9.0504 10.4089 10.4089 10.8451 10.8451 11.7489 11.7489 12.4528 12.4528 14.2722 14.2722 14.7519 14.7519 17.8998 17.8998 19.5219 19.5219 k = 0.0147 0.5000 0.8045 ( 2060 PWs) bands (ev): 3.8831 3.8831 4.4120 4.4120 4.5025 4.5025 4.6421 4.6421 5.1447 5.1447 5.8634 5.8634 5.9243 5.9243 6.3972 6.3972 6.6439 6.6439 6.8594 6.8594 8.5420 8.5420 8.9595 8.9595 9.0510 9.0510 10.4095 10.4095 10.8465 10.8465 11.7490 11.7490 12.4530 12.4530 14.2715 14.2715 14.7513 14.7513 17.8941 17.8941 19.4634 19.4634 k = 0.0294 0.5000 0.8045 ( 2056 PWs) bands (ev): 3.8825 3.8825 4.4054 4.4054 4.5005 4.5005 4.6439 4.6439 5.1439 5.1439 5.8348 5.8348 5.9417 5.9417 6.4054 6.4054 6.6420 6.6420 6.8645 6.8645 8.5537 8.5537 8.9666 8.9666 9.0530 9.0530 10.4112 10.4112 10.8504 10.8504 11.7492 11.7492 12.4536 12.4536 14.2691 14.2691 14.7495 14.7495 17.8771 17.8771 19.3283 19.3283 k = 0.0441 0.5000 0.8045 ( 2052 PWs) bands (ev): 3.8815 3.8815 4.3949 4.3949 4.4973 4.4973 4.6468 4.6468 5.1424 5.1424 5.8018 5.8018 5.9570 5.9570 6.4184 6.4184 6.6392 6.6392 6.8726 6.8726 8.5729 8.5729 8.9784 8.9784 9.0561 9.0561 10.4140 10.4140 10.8571 10.8571 11.7496 11.7496 12.4547 12.4547 14.2651 14.2651 14.7466 14.7466 17.8491 17.8491 19.1617 19.1617 k = 0.0588 0.5000 0.8045 ( 2052 PWs) bands (ev): 3.8801 3.8801 4.3808 4.3808 4.4928 4.4928 4.6503 4.6503 5.1403 5.1403 5.7658 5.7658 5.9694 5.9694 6.4353 6.4353 6.6360 6.6360 6.8836 6.8836 8.5991 8.5991 8.9951 8.9951 9.0606 9.0606 10.4180 10.4180 10.8664 10.8664 11.7502 11.7502 12.4561 12.4561 14.2594 14.2594 14.7426 14.7426 17.8105 17.8105 18.9824 18.9824 k = 0.0735 0.5000 0.8045 ( 2060 PWs) bands (ev): 3.8784 3.8784 4.3636 4.3636 4.4870 4.4870 4.6542 4.6542 5.1374 5.1374 5.7276 5.7276 5.9792 5.9792 6.4547 6.4547 6.6330 6.6330 6.8970 6.8970 8.6318 8.6318 9.0167 9.0167 9.0664 9.0664 10.4231 10.4231 10.8785 10.8785 11.7509 11.7509 12.4578 12.4578 14.2518 14.2518 14.7376 14.7376 17.7621 17.7621 18.7980 18.7980 k = 0.0882 0.5000 0.8045 ( 2056 PWs) bands (ev): 3.8762 3.8762 4.3439 4.3439 4.4801 4.4801 4.6582 4.6582 5.1336 5.1336 5.6880 5.6880 5.9871 5.9871 6.4752 6.4752 6.6311 6.6311 6.9125 6.9125 8.6702 8.6702 9.0433 9.0433 9.0736 9.0736 10.4293 10.4293 10.8934 10.8934 11.7518 11.7518 12.4599 12.4599 14.2422 14.2422 14.7316 14.7316 17.7045 17.7045 18.6120 18.6120 k = 0.1029 0.5000 0.8045 ( 2060 PWs) bands (ev): 3.8736 3.8736 4.3220 4.3220 4.4722 4.4722 4.6622 4.6622 5.1288 5.1288 5.6474 5.6474 5.9934 5.9934 6.4949 6.4949 6.6317 6.6317 6.9298 6.9298 8.7132 8.7132 9.0739 9.0739 9.0833 9.0833 10.4367 10.4367 10.9111 10.9111 11.7528 11.7528 12.4624 12.4624 14.2302 14.2302 14.7248 14.7248 17.6386 17.6386 18.4264 18.4264 k = 0.1176 0.5000 0.8045 ( 2060 PWs) bands (ev): 3.8707 3.8707 4.2984 4.2984 4.4635 4.4635 4.6659 4.6659 5.1230 5.1230 5.6064 5.6064 5.9988 5.9988 6.5115 6.5115 6.6364 6.6364 6.9485 6.9485 8.7597 8.7597 9.0903 9.0903 9.1145 9.1145 10.4452 10.4452 10.9317 10.9317 11.7539 11.7539 12.4651 12.4651 14.2155 14.2155 14.7173 14.7173 17.5652 17.5652 18.2425 18.2425 k = 0.1324 0.5000 0.8045 ( 2060 PWs) bands (ev): 3.8674 3.8674 4.2734 4.2734 4.4540 4.4540 4.6693 4.6693 5.1160 5.1160 5.5652 5.5652 6.0036 6.0036 6.5232 6.5232 6.6470 6.6470 6.9685 6.9685 8.8084 8.8084 9.1015 9.1015 9.1583 9.1583 10.4549 10.4549 10.9553 10.9553 11.7552 11.7552 12.4681 12.4681 14.1980 14.1980 14.7094 14.7094 17.4853 17.4853 18.0609 18.0609 k = 0.1471 0.5000 0.8045 ( 2064 PWs) bands (ev): 3.8637 3.8637 4.2473 4.2473 4.4440 4.4440 4.6721 4.6721 5.1080 5.1080 5.5245 5.5245 6.0081 6.0081 6.5290 6.5290 6.6637 6.6637 6.9893 6.9893 8.8580 8.8580 9.1137 9.1137 9.2090 9.2090 10.4658 10.4658 10.9818 10.9818 11.7567 11.7567 12.4713 12.4713 14.1771 14.1771 14.7010 14.7011 17.3997 17.3997 17.8822 17.8822 k = 0.1618 0.5000 0.8045 ( 2068 PWs) bands (ev): 3.8596 3.8596 4.2204 4.2204 4.4335 4.4335 4.6744 4.6744 5.0990 5.0990 5.4843 5.4843 6.0125 6.0125 6.5302 6.5302 6.6853 6.6853 7.0109 7.0109 8.9071 8.9071 9.1273 9.1273 9.2667 9.2667 10.4780 10.4780 11.0115 11.0115 11.7583 11.7583 12.4747 12.4747 14.1526 14.1526 14.6926 14.6926 17.3093 17.3093 17.7070 17.7070 k = 0.1765 0.5000 0.8045 ( 2064 PWs) bands (ev): 3.8552 3.8552 4.1930 4.1930 4.4227 4.4227 4.6761 4.6761 5.0889 5.0889 5.4453 5.4453 6.0170 6.0170 6.5283 6.5283 6.7099 6.7099 7.0331 7.0331 8.9548 8.9548 9.1422 9.1422 9.3314 9.3314 10.4915 10.4915 11.0442 11.0442 11.7600 11.7600 12.4783 12.4783 14.1239 14.1239 14.6843 14.6843 17.2149 17.2149 17.5355 17.5355 k = 0.1912 0.5000 0.8045 ( 2060 PWs) bands (ev): 3.8504 3.8504 4.1654 4.1654 4.4117 4.4117 4.6772 4.6772 5.0780 5.0780 5.4074 5.4074 6.0216 6.0216 6.5245 6.5245 6.7362 6.7362 7.0555 7.0555 9.0001 9.0001 9.1585 9.1585 9.4027 9.4027 10.5065 10.5065 11.0799 11.0799 11.7618 11.7618 12.4819 12.4819 14.0909 14.0909 14.6763 14.6763 17.1172 17.1172 17.3681 17.3681 k = 0.2059 0.5000 0.8045 ( 2056 PWs) bands (ev): 3.8453 3.8453 4.1378 4.1378 4.4005 4.4005 4.6776 4.6776 5.0662 5.0662 5.3711 5.3711 6.0264 6.0264 6.5197 6.5197 6.7632 6.7632 7.0780 7.0780 9.0427 9.0427 9.1764 9.1764 9.4801 9.4801 10.5232 10.5232 11.1188 11.1188 11.7638 11.7638 12.4856 12.4856 14.0529 14.0529 14.6687 14.6687 17.0171 17.0171 17.2050 17.2050 k = 0.2206 0.5000 0.8045 ( 2052 PWs) bands (ev): 3.8398 3.8398 4.1105 4.1105 4.3894 4.3894 4.6772 4.6772 5.0538 5.0538 5.3366 5.3366 6.0314 6.0314 6.5143 6.5143 6.7903 6.7903 7.1004 7.1004 9.0821 9.0821 9.1961 9.1961 9.5624 9.5624 10.5419 10.5419 11.1606 11.1606 11.7659 11.7659 12.4893 12.4893 14.0099 14.0099 14.6618 14.6618 16.9151 16.9151 17.0465 17.0465 k = 0.2353 0.5000 0.8045 ( 2052 PWs) bands (ev): 3.8340 3.8340 4.0837 4.0837 4.3784 4.3784 4.6762 4.6762 5.0409 5.0409 5.3041 5.3041 6.0366 6.0366 6.5086 6.5086 6.8170 6.8170 7.1226 7.1226 9.1181 9.1181 9.2175 9.2175 9.6486 9.6486 10.5629 10.5629 11.2052 11.2052 11.7680 11.7680 12.4929 12.4929 13.9614 13.9614 14.6557 14.6557 16.8116 16.8116 16.8932 16.8932 k = 0.2500 0.5000 0.8045 ( 2048 PWs) bands (ev): 3.8279 3.8279 4.0576 4.0576 4.3675 4.3675 4.6744 4.6744 5.0277 5.0277 5.2736 5.2736 6.0419 6.0419 6.5028 6.5028 6.8431 6.8431 7.1443 7.1443 9.1508 9.1508 9.2407 9.2407 9.7372 9.7372 10.5868 10.5868 11.2526 11.2526 11.7703 11.7703 12.4965 12.4965 13.9074 13.9074 14.6504 14.6504 16.7058 16.7058 16.7467 16.7467 k = 0.2647 0.5000 0.8045 ( 2048 PWs) bands (ev): 3.8215 3.8215 4.0325 4.0325 4.3570 4.3570 4.6719 4.6719 5.0142 5.0142 5.2453 5.2453 6.0472 6.0472 6.4971 6.4971 6.8684 6.8684 7.1656 7.1656 9.1801 9.1801 9.2656 9.2656 9.8267 9.8267 10.6144 10.6144 11.3023 11.3023 11.7727 11.7727 12.4999 12.4999 13.8477 13.8477 14.6460 14.6460 16.5880 16.5880 16.6176 16.6176 k = 0.2794 0.5000 0.8045 ( 2052 PWs) bands (ev): 3.8147 3.8147 4.0084 4.0084 4.3467 4.3467 4.6688 4.6688 5.0008 5.0008 5.2193 5.2193 6.0526 6.0526 6.4915 6.4915 6.8927 6.8927 7.1861 7.1861 9.2066 9.2066 9.2916 9.2916 9.9153 9.9153 10.6469 10.6469 11.3543 11.3543 11.7752 11.7752 12.5031 12.5031 13.7824 13.7824 14.6425 14.6425 16.4545 16.4545 16.5105 16.5105 k = 0.2941 0.5000 0.8045 ( 2056 PWs) bands (ev): 3.8077 3.8077 3.9857 3.9857 4.3369 4.3369 4.6650 4.6650 4.9875 4.9875 5.1956 5.1956 6.0578 6.0578 6.4862 6.4862 6.9159 6.9159 7.2058 7.2058 9.2307 9.2307 9.3180 9.3180 10.0009 10.0009 10.6855 10.6855 11.4079 11.4079 11.7778 11.7778 12.5061 12.5061 13.7114 13.7114 14.6400 14.6400 16.3221 16.3221 16.4094 16.4094 k = 0.3088 0.5000 0.8045 ( 2056 PWs) bands (ev): 3.8004 3.8004 3.9644 3.9644 4.3275 4.3275 4.6606 4.6606 4.9747 4.9747 5.1741 5.1741 6.0630 6.0630 6.4811 6.4811 6.9379 6.9379 7.2247 7.2247 9.2529 9.2529 9.3442 9.3442 10.0813 10.0813 10.7321 10.7321 11.4628 11.4628 11.7805 11.7805 12.5088 12.5088 13.6350 13.6350 14.6384 14.6384 16.1947 16.1947 16.3115 16.3115 k = 0.3235 0.5000 0.8045 ( 2052 PWs) bands (ev): 3.7929 3.7929 3.9447 3.9447 4.3186 4.3186 4.6557 4.6557 4.9624 4.9624 5.1548 5.1548 6.0680 6.0680 6.4763 6.4763 6.9585 6.9585 7.2425 7.2425 9.2737 9.2737 9.3695 9.3695 10.1543 10.1543 10.7880 10.7880 11.5184 11.5184 11.7835 11.7835 12.5111 12.5111 13.5535 13.5535 14.6378 14.6378 16.0729 16.0729 16.2170 16.2170 k = 0.3382 0.5000 0.8045 ( 2056 PWs) bands (ev): 3.7851 3.7851 3.9267 3.9267 4.3103 4.3103 4.6504 4.6504 4.9508 4.9508 5.1375 5.1375 6.0727 6.0727 6.4718 6.4718 6.9777 6.9777 7.2591 7.2591 9.2930 9.2930 9.3937 9.3937 10.2182 10.2182 10.8546 10.8546 11.5738 11.5738 11.7866 11.7866 12.5131 12.5131 13.4672 13.4672 14.6381 14.6381 15.9571 15.9571 16.1264 16.1264 k = 0.3529 0.5000 0.8045 ( 2052 PWs) bands (ev): 3.7773 3.7773 3.9105 3.9105 4.3026 4.3026 4.6448 4.6448 4.9400 4.9400 5.1223 5.1223 6.0772 6.0772 6.4677 6.4677 6.9954 6.9954 7.2746 7.2746 9.3112 9.3112 9.4163 9.4163 10.2722 10.2722 10.9319 10.9319 11.6282 11.6282 11.7904 11.7904 12.5146 12.5146 13.3766 13.3766 14.6393 14.6393 15.8478 15.8478 16.0405 16.0405 k = 0.3676 0.5000 0.8045 ( 2052 PWs) bands (ev): 3.7695 3.7695 3.8961 3.8961 4.2955 4.2955 4.6392 4.6392 4.9302 4.9302 5.1089 5.1089 6.0814 6.0814 6.4640 6.4640 7.0116 7.0116 7.2888 7.2888 9.3280 9.3280 9.4373 9.4373 10.3166 10.3166 11.0189 11.0189 11.6801 11.6801 11.7954 11.7954 12.5156 12.5156 13.2824 13.2824 14.6413 14.6413 15.7455 15.7455 15.9599 15.9599 k = 0.3824 0.5000 0.8045 ( 2056 PWs) bands (ev): 3.7618 3.7618 3.8835 3.8835 4.2891 4.2891 4.6335 4.6335 4.9214 4.9214 5.0972 5.0972 6.0852 6.0852 6.4606 6.4606 7.0262 7.0262 7.3017 7.3017 9.3433 9.3433 9.4564 9.4564 10.3525 10.3525 11.1140 11.1140 11.7262 11.7262 11.8038 11.8038 12.5158 12.5158 13.1854 13.1854 14.6440 14.6440 15.6506 15.6506 15.8854 15.8854 k = 0.3971 0.5000 0.8045 ( 2052 PWs) bands (ev): 3.7545 3.7545 3.8727 3.8727 4.2834 4.2834 4.6280 4.6280 4.9136 4.9136 5.0872 5.0872 6.0886 6.0886 6.4576 6.4576 7.0391 7.0391 7.3132 7.3132 9.3572 9.3572 9.4737 9.4737 10.3812 10.3812 11.2148 11.2148 11.7598 11.7598 11.8218 11.8218 12.5149 12.5149 13.0868 13.0868 14.6475 14.6475 15.5637 15.5637 15.8177 15.8177 k = 0.4118 0.5000 0.8045 ( 2052 PWs) bands (ev): 3.7476 3.7476 3.8636 3.8636 4.2784 4.2784 4.6229 4.6229 4.9069 4.9069 5.0787 5.0787 6.0916 6.0916 6.4551 6.4551 7.0504 7.0504 7.3233 7.3233 9.3695 9.3695 9.4888 9.4888 10.4040 10.4040 11.3191 11.3191 11.7762 11.7762 11.8527 11.8527 12.5124 12.5124 12.9883 12.9883 14.6515 14.6515 15.4856 15.4856 15.7575 15.7575 k = 0.4265 0.5000 0.8045 ( 2056 PWs) bands (ev): 3.7414 3.7414 3.8561 3.8561 4.2741 4.2741 4.6184 4.6184 4.9013 4.9013 5.0716 5.0716 6.0942 6.0942 6.4529 6.4529 7.0600 7.0600 7.3318 7.3318 9.3801 9.3801 9.5019 9.5019 10.4219 10.4219 11.4242 11.4242 11.7833 11.7833 11.8878 11.8878 12.5072 12.5072 12.8924 12.8924 14.6558 14.6558 15.4171 15.4171 15.7053 15.7053 k = 0.4412 0.5000 0.8045 ( 2056 PWs) bands (ev): 3.7361 3.7361 3.8501 3.8501 4.2706 4.2706 4.6144 4.6144 4.8967 4.8967 5.0659 5.0659 6.0964 6.0964 6.4511 6.4511 7.0679 7.0679 7.3389 7.3389 9.3889 9.3889 9.5126 9.5126 10.4357 10.4357 11.5272 11.5272 11.7873 11.7873 11.9200 11.9200 12.4974 12.4974 12.8035 12.8035 14.6602 14.6602 15.3591 15.3591 15.6617 15.6617 k = 0.4559 0.5000 0.8045 ( 2068 PWs) bands (ev): 3.7318 3.7318 3.8455 3.8455 4.2679 4.2679 4.6112 4.6112 4.8932 4.8932 5.0616 5.0616 6.0980 6.0980 6.4497 6.4497 7.0740 7.0740 7.3444 7.3444 9.3958 9.3958 9.5211 9.5211 10.4459 10.4459 11.6235 11.6235 11.7899 11.7899 11.9467 11.9467 12.4798 12.4798 12.7284 12.7284 14.6643 14.6643 15.3125 15.3125 15.6273 15.6273 k = 0.4706 0.5000 0.8045 ( 2072 PWs) bands (ev): 3.7286 3.7286 3.8423 3.8423 4.2659 4.2659 4.6088 4.6088 4.8907 4.8907 5.0585 5.0585 6.0993 6.0993 6.4487 6.4487 7.0784 7.0784 7.3484 7.3484 9.4008 9.4008 9.5272 9.5272 10.4530 10.4530 11.7061 11.7061 11.7921 11.7921 11.9663 11.9663 12.4528 12.4528 12.6752 12.6752 14.6677 14.6677 15.2783 15.2783 15.6024 15.6024 k = 0.4853 0.5000 0.8045 ( 2080 PWs) bands (ev): 3.7267 3.7267 3.8404 3.8404 4.2647 4.2647 4.6074 4.6074 4.8891 4.8891 5.0567 5.0567 6.1000 6.1000 6.4480 6.4480 7.0811 7.0811 7.3507 7.3507 9.4038 9.4038 9.5309 9.5309 10.4571 10.4571 11.7626 11.7626 11.7962 11.7962 11.9781 11.9781 12.4243 12.4243 12.6464 12.6464 14.6699 14.6699 15.2574 15.2574 15.5873 15.5873 k = 0.5000 0.5000 0.8045 ( 2080 PWs) bands (ev): 3.7260 3.7260 3.8398 3.8398 4.2643 4.2643 4.6069 4.6069 4.8886 4.8886 5.0561 5.0561 6.1002 6.1002 6.4478 6.4478 7.0820 7.0820 7.3515 7.3515 9.4048 9.4048 9.5322 9.5322 10.4585 10.4585 11.7787 11.7787 11.8026 11.8026 11.9820 11.9820 12.4115 12.4115 12.6377 12.6377 14.6707 14.6707 15.2503 15.2503 15.5823 15.5823 k = 0.5000 0.5000 0.8045 ( 2080 PWs) bands (ev): 3.7260 3.7260 3.8398 3.8398 4.2643 4.2643 4.6069 4.6069 4.8886 4.8886 5.0561 5.0561 6.1002 6.1002 6.4478 6.4478 7.0820 7.0820 7.3515 7.3515 9.4048 9.4048 9.5322 9.5322 10.4585 10.4585 11.7787 11.7787 11.8026 11.8026 11.9820 11.9820 12.4115 12.4115 12.6377 12.6377 14.6707 14.6707 15.2503 15.2503 15.5823 15.5823 k = 0.4896 0.4896 0.8045 ( 2080 PWs) bands (ev): 3.7267 3.7267 3.8404 3.8404 4.2647 4.2647 4.6074 4.6074 4.8892 4.8892 5.0567 5.0567 6.1000 6.1000 6.4480 6.4480 7.0811 7.0811 7.3507 7.3507 9.4038 9.4038 9.5309 9.5309 10.4571 10.4571 11.7663 11.7663 11.7921 11.7921 11.9781 11.9781 12.4249 12.4249 12.6461 12.6461 14.6700 14.6700 15.2572 15.2572 15.5874 15.5874 k = 0.4792 0.4792 0.8045 ( 2074 PWs) bands (ev): 3.7287 3.7287 3.8423 3.8423 4.2659 4.2659 4.6088 4.6088 4.8907 4.8907 5.0585 5.0585 6.0993 6.0993 6.4487 6.4487 7.0784 7.0784 7.3484 7.3484 9.4007 9.4007 9.5273 9.5273 10.4530 10.4530 11.7305 11.7305 11.7634 11.7634 11.9662 11.9662 12.4613 12.4613 12.6710 12.6710 14.6686 14.6686 15.2758 15.2758 15.6042 15.6042 k = 0.4688 0.4687 0.8045 ( 2070 PWs) bands (ev): 3.7319 3.7319 3.8455 3.8455 4.2679 4.2679 4.6112 4.6112 4.8932 4.8932 5.0616 5.0616 6.0980 6.0980 6.4497 6.4497 7.0738 7.0738 7.3446 7.3446 9.3956 9.3956 9.5213 9.5213 10.4461 10.4461 11.6770 11.6770 11.7208 11.7208 11.9462 11.9462 12.5122 12.5122 12.7117 12.7117 14.6683 14.6683 15.3001 15.3001 15.6360 15.6360 k = 0.4583 0.4583 0.8045 ( 2062 PWs) bands (ev): 3.7365 3.7365 3.8498 3.8498 4.2706 4.2706 4.6144 4.6144 4.8969 4.8969 5.0659 5.0659 6.0963 6.0963 6.4511 6.4511 7.0673 7.0673 7.3396 7.3396 9.3883 9.3883 9.5132 9.5132 10.4363 10.4363 11.6125 11.6125 11.6670 11.6670 11.9182 11.9182 12.5690 12.5690 12.7679 12.7679 14.6716 14.6716 15.3232 15.3232 15.6870 15.6870 k = 0.4479 0.4479 0.8045 ( 2058 PWs) bands (ev): 3.7423 3.7423 3.8554 3.8554 4.2741 4.2741 4.6183 4.6183 4.9017 4.9017 5.0715 5.0715 6.0941 6.0941 6.4531 6.4531 7.0586 7.0586 7.3336 7.3336 9.3786 9.3786 9.5031 9.5031 10.4235 10.4235 11.5419 11.5419 11.6044 11.6044 11.8828 11.8828 12.6259 12.6259 12.8383 12.8383 14.6801 14.6801 15.3401 15.3401 15.7593 15.7593 k = 0.4375 0.4375 0.8045 ( 2058 PWs) bands (ev): 3.7493 3.7493 3.8621 3.8621 4.2784 4.2784 4.6228 4.6228 4.9078 4.9078 5.0784 5.0784 6.0914 6.0914 6.4555 6.4555 7.0476 7.0476 7.3269 7.3269 9.3666 9.3666 9.4915 9.4915 10.4077 10.4077 11.4678 11.4678 11.5354 11.5354 11.8407 11.8407 12.6802 12.6802 12.9212 12.9212 14.6952 14.6952 15.3495 15.3495 15.8518 15.8518 k = 0.4271 0.4271 0.8045 ( 2058 PWs) bands (ev): 3.7576 3.7576 3.8700 3.8700 4.2834 4.2834 4.6277 4.6277 4.9151 4.9151 5.0867 5.0867 6.0882 6.0882 6.4584 6.4584 7.0342 7.0342 7.3199 7.3199 9.3520 9.3520 9.4785 9.4785 10.3887 10.3887 11.3914 11.3914 11.4623 11.4623 11.7929 11.7929 12.7313 12.7313 13.0138 13.0138 14.7178 14.7178 15.3524 15.3524 15.9617 15.9617 k = 0.4167 0.4167 0.8045 ( 2058 PWs) bands (ev): 3.7671 3.7671 3.8789 3.8789 4.2892 4.2892 4.6330 4.6330 4.9239 4.9239 5.0963 5.0963 6.0845 6.0845 6.4619 6.4619 7.0181 7.0181 7.3127 7.3127 9.3348 9.3348 9.4644 9.4644 10.3664 10.3664 11.3129 11.3129 11.3875 11.3875 11.7403 11.7403 12.7796 12.7796 13.1137 13.1137 14.7481 14.7481 15.3501 15.3501 16.0859 16.0859 k = 0.4062 0.4062 0.8045 ( 2050 PWs) bands (ev): 3.7777 3.7777 3.8888 3.8888 4.2956 4.2956 4.6382 4.6382 4.9341 4.9341 5.1075 5.1075 6.0804 6.0804 6.4659 6.4659 6.9994 6.9994 7.3058 7.3058 9.3150 9.3150 9.4494 9.4494 10.3406 10.3406 11.2317 11.2317 11.3134 11.3134 11.6837 11.6837 12.8253 12.8253 13.2192 13.2192 14.7863 14.7863 15.3440 15.3440 16.2218 16.2218 k = 0.3958 0.3958 0.8045 ( 2046 PWs) bands (ev): 3.7895 3.7895 3.8997 3.8997 4.3028 4.3028 4.6434 4.6434 4.9458 4.9458 5.1203 5.1203 6.0758 6.0758 6.4706 6.4706 6.9781 6.9781 7.2994 7.2994 9.2926 9.2926 9.4335 9.4335 10.3112 10.3112 11.1470 11.1470 11.2423 11.2423 11.6240 11.6240 12.8687 12.8687 13.3290 13.3290 14.8321 14.8321 15.3350 15.3350 16.3674 16.3674 k = 0.3854 0.3854 0.8045 ( 2046 PWs) bands (ev): 3.8023 3.8023 3.9114 3.9114 4.3105 4.3105 4.6484 4.6484 4.9590 4.9590 5.1349 5.1349 6.0707 6.0707 6.4759 6.4759 6.9542 6.9542 7.2935 7.2935 9.2679 9.2679 9.4169 9.4169 10.2782 10.2782 11.0585 11.0585 11.1754 11.1754 11.5620 11.5620 12.9098 12.9098 13.4423 13.4423 14.8853 14.8853 15.3237 15.3237 16.5212 16.5212 k = 0.3750 0.3750 0.8045 ( 2046 PWs) bands (ev): 3.8161 3.8161 3.9240 3.9240 4.3190 4.3190 4.6529 4.6529 4.9735 4.9735 5.1514 5.1514 6.0652 6.0652 6.4819 6.4819 6.9280 6.9280 7.2883 7.2883 9.2409 9.2409 9.3994 9.3994 10.2415 10.2415 10.9666 10.9666 11.1131 11.1131 11.4984 11.4984 12.9487 12.9487 13.5585 13.5585 14.9454 14.9454 15.3107 15.3107 16.6818 16.6818 k = 0.3646 0.3646 0.8045 ( 2046 PWs) bands (ev): 3.8309 3.8309 3.9373 3.9373 4.3280 4.3280 4.6569 4.6569 4.9892 4.9892 5.1700 5.1700 6.0593 6.0593 6.4885 6.4885 6.8998 6.8998 7.2839 7.2839 9.2118 9.2118 9.3811 9.3811 10.2013 10.2013 10.8722 10.8722 11.0554 11.0554 11.4338 11.4338 12.9855 12.9855 13.6772 13.6772 15.0120 15.0120 15.2966 15.2966 16.8476 16.8476 k = 0.3542 0.3542 0.8045 ( 2050 PWs) bands (ev): 3.8466 3.8466 3.9512 3.9512 4.3375 4.3375 4.6603 4.6603 5.0059 5.0059 5.1909 5.1909 6.0531 6.0531 6.4957 6.4957 6.8698 6.8698 7.2802 7.2802 9.1810 9.1810 9.3618 9.3618 10.1576 10.1576 10.7759 10.7759 11.0019 11.0019 11.3688 11.3688 13.0201 13.0201 13.7980 13.7980 15.0842 15.0842 15.2822 15.2822 17.0172 17.0172 k = 0.3438 0.3437 0.8045 ( 2046 PWs) bands (ev): 3.8631 3.8631 3.9657 3.9657 4.3476 4.3476 4.6630 4.6630 5.0234 5.0234 5.2145 5.2145 6.0466 6.0466 6.5034 6.5034 6.8386 6.8386 7.2772 7.2772 9.1485 9.1485 9.3414 9.3414 10.1108 10.1108 10.6783 10.6783 10.9524 10.9524 11.3039 11.3039 13.0527 13.0527 13.9208 13.9208 15.1594 15.1594 15.2699 15.2699 17.1882 17.1882 k = 0.3333 0.3333 0.8045 ( 2042 PWs) bands (ev): 3.8804 3.8804 3.9807 3.9807 4.3582 4.3582 4.6650 4.6650 5.0412 5.0412 5.2407 5.2407 6.0400 6.0400 6.5116 6.5116 6.8065 6.8065 7.2749 7.2749 9.1146 9.1146 9.3199 9.3199 10.0611 10.0611 10.5798 10.5798 10.9066 10.9066 11.2395 11.2395 13.0834 13.0834 14.0452 14.0452 15.2168 15.2168 15.2806 15.2806 17.3567 17.3567 k = 0.3229 0.3229 0.8045 ( 2046 PWs) bands (ev): 3.8983 3.8983 3.9962 3.9962 4.3692 4.3692 4.6664 4.6664 5.0592 5.0592 5.2699 5.2699 6.0332 6.0332 6.5199 6.5199 6.7742 6.7742 7.2732 7.2732 9.0794 9.0794 9.2971 9.2971 10.0088 10.0088 10.4809 10.4809 10.8640 10.8640 11.1760 11.1760 13.1121 13.1121 14.1709 14.1709 15.2176 15.2176 15.3530 15.3530 17.5149 17.5149 k = 0.3125 0.3125 0.8045 ( 2054 PWs) bands (ev): 3.9169 3.9169 4.0119 4.0119 4.3806 4.3806 4.6671 4.6671 5.0770 5.0770 5.3021 5.3021 6.0264 6.0264 6.5280 6.5280 6.7426 6.7426 7.2721 7.2721 9.0431 9.0431 9.2730 9.2730 9.9544 9.9544 10.3819 10.3819 10.8244 10.8244 11.1136 11.1136 13.1390 13.1390 14.2977 14.2977 15.2038 15.2038 15.4452 15.4452 17.6514 17.6514 k = 0.3021 0.3021 0.8045 ( 2056 PWs) bands (ev): 3.9360 3.9360 4.0280 4.0280 4.3923 4.3923 4.6673 4.6673 5.0946 5.0946 5.3374 5.3374 6.0197 6.0197 6.5350 6.5350 6.7126 6.7126 7.2715 7.2715 9.0058 9.0058 9.2475 9.2475 9.8982 9.8982 10.2833 10.2833 10.7874 10.7874 11.0527 11.0527 13.1642 13.1642 14.4252 14.4252 15.1885 15.1885 15.5442 15.5442 17.7603 17.7603 k = 0.2917 0.2917 0.8045 ( 2064 PWs) bands (ev): 3.9555 3.9555 4.0442 4.0442 4.4042 4.4042 4.6669 4.6669 5.1116 5.1116 5.3755 5.3755 6.0133 6.0133 6.5395 6.5395 6.6863 6.6863 7.2714 7.2714 8.9675 8.9675 9.2205 9.2205 9.8406 9.8406 10.1855 10.1855 10.7526 10.7526 10.9935 10.9935 13.1877 13.1877 14.5527 14.5527 15.1740 15.1740 15.6481 15.6481 17.8489 17.8489 k = 0.2812 0.2812 0.8045 ( 2060 PWs) bands (ev): 3.9753 3.9753 4.0605 4.0605 4.4163 4.4163 4.6661 4.6661 5.1280 5.1280 5.4165 5.4165 6.0074 6.0074 6.5387 6.5387 6.6665 6.6665 7.2718 7.2718 8.9285 8.9285 9.1920 9.1920 9.7817 9.7817 10.0887 10.0887 10.7197 10.7197 10.9362 10.9362 13.2098 13.2098 14.6790 14.6790 15.1619 15.1619 15.7564 15.7564 17.9268 17.9268 k = 0.2708 0.2708 0.8045 ( 2064 PWs) bands (ev): 3.9954 3.9954 4.0768 4.0768 4.4285 4.4285 4.6648 4.6648 5.1437 5.1437 5.4600 5.4600 6.0020 6.0020 6.5299 6.5299 6.6563 6.6563 7.2726 7.2726 8.8887 8.8887 9.1620 9.1620 9.7218 9.7218 9.9936 9.9936 10.6885 10.6885 10.8810 10.8810 13.2304 13.2304 14.8012 14.8012 15.1555 15.1555 15.8686 15.8686 17.9989 17.9989 k = 0.2604 0.2604 0.8045 ( 2064 PWs) bands (ev): 4.0156 4.0156 4.0930 4.0930 4.4407 4.4407 4.6633 4.6633 5.1587 5.1587 5.5059 5.5059 5.9974 5.9974 6.5131 6.5131 6.6559 6.6559 7.2738 7.2738 8.8483 8.8483 9.1304 9.1304 9.6607 9.6607 9.9006 9.9006 10.6586 10.6586 10.8280 10.8280 13.2497 13.2497 14.9111 14.9111 15.1628 15.1628 15.9843 15.9843 18.0680 18.0680 k = 0.2500 0.2500 0.8045 ( 2056 PWs) bands (ev): 4.0359 4.0359 4.1092 4.1092 4.4527 4.4527 4.6616 4.6616 5.1730 5.1730 5.5538 5.5538 5.9938 5.9938 6.4910 6.4910 6.6629 6.6629 7.2753 7.2753 8.8074 8.8074 9.0972 9.0972 9.5983 9.5983 9.8106 9.8106 10.6299 10.6299 10.7773 10.7773 13.2677 13.2677 14.9882 14.9882 15.2046 15.2046 16.1032 16.1032 18.1351 18.1351 k = 0.2396 0.2396 0.8045 ( 2056 PWs) bands (ev): 4.0561 4.0561 4.1251 4.1251 4.4644 4.4644 4.6598 4.6598 5.1864 5.1864 5.6034 5.6034 5.9915 5.9915 6.4667 6.4667 6.6743 6.6743 7.2773 7.2773 8.7661 8.7661 9.0623 9.0623 9.5341 9.5341 9.7245 9.7245 10.6020 10.6020 10.7292 10.7292 13.2847 13.2847 15.0192 15.0192 15.2941 15.2941 16.2252 16.2252 18.2010 18.2010 k = 0.2292 0.2292 0.8045 ( 2064 PWs) bands (ev): 4.0761 4.0761 4.1407 4.1407 4.4758 4.4758 4.6580 4.6580 5.1991 5.1991 5.6542 5.6542 5.9908 5.9908 6.4421 6.4421 6.6885 6.6885 7.2796 7.2796 8.7243 8.7243 9.0257 9.0257 9.4674 9.4674 9.6434 9.6434 10.5749 10.5749 10.6838 10.6838 13.3006 13.3006 15.0249 15.0249 15.4106 15.4106 16.3498 16.3498 18.2661 18.2661 k = 0.2188 0.2187 0.8045 ( 2064 PWs) bands (ev): 4.0958 4.0958 4.1560 4.1560 4.4865 4.4865 4.6562 4.6562 5.2109 5.2109 5.7057 5.7057 5.9920 5.9920 6.4184 6.4184 6.7045 6.7045 7.2822 7.2822 8.6823 8.6823 8.9875 8.9875 9.3978 9.3978 9.5682 9.5682 10.5483 10.5483 10.6412 10.6412 13.3155 13.3155 15.0221 15.0221 15.5370 15.5370 16.4770 16.4770 18.3307 18.3307 k = 0.2083 0.2083 0.8045 ( 2056 PWs) bands (ev): 4.1151 4.1151 4.1709 4.1709 4.4965 4.4965 4.6548 4.6548 5.2220 5.2220 5.7571 5.7571 5.9956 5.9956 6.3961 6.3961 6.7218 6.7218 7.2852 7.2852 8.6401 8.6401 8.9476 8.9476 9.3251 9.3251 9.4995 9.4995 10.5218 10.5218 10.6017 10.6017 13.3294 13.3294 15.0169 15.0169 15.6673 15.6673 16.6064 16.6064 18.3950 18.3950 k = 0.1979 0.1979 0.8045 ( 2056 PWs) bands (ev): 4.1339 4.1339 4.1853 4.1853 4.5056 4.5056 4.6536 4.6536 5.2324 5.2324 5.8072 5.8072 6.0023 6.0023 6.3760 6.3760 6.7400 6.7400 7.2885 7.2885 8.5979 8.5979 8.9061 8.9061 9.2500 9.2500 9.4370 9.4370 10.4952 10.4952 10.5656 10.5656 13.3426 13.3426 15.0114 15.0114 15.7990 15.7990 16.7379 16.7379 18.4592 18.4592 k = 0.1875 0.1875 0.8045 ( 2064 PWs) bands (ev): 4.1521 4.1521 4.1992 4.1992 4.5137 4.5137 4.6529 4.6529 5.2422 5.2422 5.8545 5.8545 6.0132 6.0132 6.3585 6.3585 6.7591 6.7591 7.2922 7.2922 8.5557 8.5557 8.8630 8.8630 9.1737 9.1737 9.3799 9.3799 10.4684 10.4684 10.5330 10.5330 13.3549 13.3549 15.0067 15.0067 15.9311 15.9311 16.8711 16.8711 18.5234 18.5234 k = 0.1771 0.1771 0.8045 ( 2066 PWs) bands (ev): 4.1696 4.1696 4.2125 4.2125 4.5206 4.5206 4.6527 4.6527 5.2514 5.2514 5.8964 5.8964 6.0297 6.0297 6.3445 6.3445 6.7788 6.7788 7.2962 7.2962 8.5135 8.5135 8.8184 8.8184 9.0974 9.0974 9.3273 9.3273 10.4413 10.4413 10.5039 10.5039 13.3665 13.3665 15.0031 15.0031 16.0626 16.0626 17.0058 17.0058 18.5878 18.5878 k = 0.1667 0.1667 0.8045 ( 2066 PWs) bands (ev): 4.1863 4.1863 4.2252 4.2252 4.5262 4.5262 4.6530 4.6530 5.2601 5.2601 5.9306 5.9306 6.0527 6.0527 6.3350 6.3350 6.7990 6.7990 7.3005 7.3005 8.4717 8.4717 8.7725 8.7725 9.0221 9.0221 9.2786 9.2786 10.4142 10.4142 10.4779 10.4779 13.3773 13.3773 15.0010 15.0010 16.1930 16.1930 17.1418 17.1418 18.6523 18.6523 k = 0.1562 0.1562 0.8045 ( 2062 PWs) bands (ev): 4.2021 4.2021 4.2374 4.2374 4.5306 4.5306 4.6538 4.6538 5.2686 5.2686 5.9569 5.9569 6.0805 6.0805 6.3318 6.3318 6.8198 6.8198 7.3053 7.3053 8.4301 8.4301 8.7254 8.7254 8.9488 8.9488 9.2334 9.2334 10.3877 10.3877 10.4546 10.4546 13.3874 13.3874 15.0004 15.0004 16.3217 16.3217 17.2788 17.2788 18.7171 18.7171 k = 0.1458 0.1458 0.8045 ( 2058 PWs) bands (ev): 4.2169 4.2169 4.2489 4.2489 4.5339 4.5339 4.6550 4.6550 5.2768 5.2768 5.9774 5.9774 6.1078 6.1078 6.3372 6.3372 6.8409 6.8409 7.3105 7.3105 8.3889 8.3889 8.6774 8.6774 8.8779 8.8779 9.1913 9.1913 10.3622 10.3622 10.4335 10.4335 13.3969 13.3969 15.0014 15.0014 16.4479 16.4479 17.4164 17.4164 18.7821 18.7821 k = 0.1354 0.1354 0.8045 ( 2062 PWs) bands (ev): 4.2305 4.2305 4.2597 4.2597 4.5362 4.5362 4.6565 4.6565 5.2848 5.2848 5.9946 5.9946 6.1295 6.1295 6.3532 6.3532 6.8624 6.8624 7.3162 7.3162 8.3481 8.3481 8.6287 8.6287 8.8101 8.8101 9.1522 9.1522 10.3380 10.3380 10.4142 10.4142 13.4057 13.4057 15.0039 15.0039 16.5711 16.5711 17.5544 17.5544 18.8472 18.8472 k = 0.1250 0.1250 0.8045 ( 2062 PWs) bands (ev): 4.2430 4.2430 4.2700 4.2700 4.5376 4.5376 4.6581 4.6581 5.2928 5.2928 6.0103 6.0103 6.1430 6.1430 6.3798 6.3798 6.8842 6.8842 7.3224 7.3224 8.3077 8.3077 8.5800 8.5800 8.7457 8.7457 9.1159 9.1159 10.3155 10.3155 10.3965 10.3965 13.4138 13.4138 15.0079 15.0079 16.6903 16.6903 17.6924 17.6924 18.9122 18.9122 k = 0.1146 0.1146 0.8045 ( 2056 PWs) bands (ev): 4.2543 4.2543 4.2796 4.2796 4.5383 4.5383 4.6597 4.6597 5.3006 5.3006 6.0251 6.0251 6.1496 6.1496 6.4145 6.4145 6.9063 6.9063 7.3292 7.3292 8.2678 8.2678 8.5317 8.5317 8.6849 8.6849 9.0825 9.0825 10.2946 10.2946 10.3803 10.3803 13.4213 13.4213 15.0131 15.0131 16.8047 16.8047 17.8297 17.8297 18.9770 18.9770 k = 0.1042 0.1042 0.8045 ( 2050 PWs) bands (ev): 4.2643 4.2643 4.2885 4.2885 4.5386 4.5386 4.6612 4.6612 5.3084 5.3084 6.0394 6.0394 6.1514 6.1514 6.4535 6.4535 6.9286 6.9286 7.3367 7.3367 8.2284 8.2284 8.4846 8.4846 8.6281 8.6281 9.0518 9.0518 10.2756 10.2756 10.3655 10.3655 13.4281 13.4281 15.0194 15.0194 16.9134 16.9134 17.9660 17.9660 19.0409 19.0409 k = 0.0938 0.0937 0.8045 ( 2054 PWs) bands (ev): 4.2730 4.2730 4.2968 4.2968 4.5385 4.5385 4.6626 4.6626 5.3159 5.3159 6.0532 6.0532 6.1506 6.1506 6.4939 6.4939 6.9509 6.9509 7.3451 7.3451 8.1894 8.1894 8.4395 8.4395 8.5753 8.5753 9.0239 9.0239 10.2584 10.2584 10.3520 10.3520 13.4343 13.4343 15.0266 15.0266 17.0152 17.0152 18.1003 18.1003 19.1030 19.1030 k = 0.0833 0.0833 0.8045 ( 2058 PWs) bands (ev): 4.2806 4.2806 4.3043 4.3043 4.5383 4.5383 4.6638 4.6638 5.3232 5.3232 6.0663 6.0663 6.1486 6.1486 6.5335 6.5335 6.9731 6.9731 7.3544 7.3544 8.1509 8.1509 8.3972 8.3972 8.5267 8.5267 8.9988 8.9988 10.2431 10.2431 10.3399 10.3399 13.4398 13.4398 15.0344 15.0344 17.1090 17.1090 18.2318 18.2318 19.1611 19.1611 k = 0.0729 0.0729 0.8045 ( 2054 PWs) bands (ev): 4.2871 4.2871 4.3110 4.3110 4.5380 4.5380 4.6647 4.6647 5.3301 5.3301 6.0787 6.0787 6.1460 6.1460 6.5705 6.5705 6.9948 6.9948 7.3648 7.3648 8.1132 8.1132 8.3586 8.3586 8.4827 8.4827 8.9766 8.9766 10.2296 10.2296 10.3292 10.3292 13.4447 13.4447 15.0424 15.0424 17.1936 17.1936 18.3590 18.3590 19.2029 19.2029 k = 0.0625 0.0625 0.8045 ( 2064 PWs) bands (ev): 4.2924 4.2924 4.3168 4.3168 4.5376 4.5376 4.6655 4.6655 5.3364 5.3364 6.0900 6.0900 6.1434 6.1434 6.6040 6.6040 7.0155 7.0155 7.3761 7.3761 8.0766 8.0766 8.3242 8.3242 8.4435 8.4435 8.9572 8.9572 10.2180 10.2180 10.3198 10.3198 13.4489 13.4489 15.0502 15.0502 17.2680 17.2680 18.4800 18.4800 19.1882 19.1882 k = 0.0521 0.0521 0.8045 ( 2060 PWs) bands (ev): 4.2969 4.2969 4.3218 4.3218 4.5373 4.5373 4.6661 4.6661 5.3421 5.3421 6.1001 6.1001 6.1410 6.1410 6.6331 6.6331 7.0347 7.0347 7.3883 7.3883 8.0418 8.0418 8.2945 8.2945 8.4095 8.4095 8.9408 8.9408 10.2081 10.2081 10.3119 10.3119 13.4525 13.4525 15.0577 15.0577 17.3314 17.3314 18.5919 18.5919 19.1511 19.1511 k = 0.0417 0.0417 0.8045 ( 2056 PWs) bands (ev): 4.3004 4.3004 4.3258 4.3258 4.5370 4.5370 4.6665 4.6665 5.3469 5.3469 6.1087 6.1087 6.1389 6.1389 6.6574 6.6574 7.0515 7.0515 7.4007 7.4007 8.0099 8.0099 8.2698 8.2698 8.3811 8.3811 8.9273 8.9273 10.2002 10.2002 10.3053 10.3053 13.4555 13.4555 15.0644 15.0644 17.3832 17.3832 18.6905 18.6905 19.1237 19.1237 k = 0.0312 0.0312 0.8045 ( 2060 PWs) bands (ev): 4.3031 4.3031 4.3290 4.3290 4.5368 4.5368 4.6668 4.6668 5.3508 5.3508 6.1156 6.1156 6.1372 6.1372 6.6765 6.6765 7.0654 7.0654 7.4127 7.4127 7.9823 7.9823 8.2504 8.2504 8.3587 8.3587 8.9167 8.9167 10.1939 10.1939 10.3002 10.3002 13.4578 13.4578 15.0699 15.0699 17.4231 17.4231 18.7701 18.7701 19.1111 19.1111 k = 0.0208 0.0208 0.8045 ( 2060 PWs) bands (ev): 4.3050 4.3050 4.3312 4.3312 4.5367 4.5367 4.6669 4.6669 5.3537 5.3537 6.1207 6.1207 6.1360 6.1360 6.6901 6.6901 7.0757 7.0757 7.4229 7.4229 7.9607 7.9607 8.2364 8.2364 8.3424 8.3424 8.9092 8.9092 10.1895 10.1895 10.2965 10.2965 13.4594 13.4594 15.0741 15.0741 17.4513 17.4514 18.8254 18.8254 19.1126 19.1126 k = 0.0104 0.0104 0.8045 ( 2052 PWs) bands (ev): 4.3061 4.3061 4.3325 4.3325 4.5366 4.5366 4.6670 4.6670 5.3555 5.3555 6.1238 6.1238 6.1353 6.1353 6.6984 6.6984 7.0821 7.0821 7.4298 7.4298 7.9468 7.9468 8.2280 8.2280 8.3326 8.3326 8.9046 8.9046 10.1869 10.1869 10.2943 10.2943 13.4604 13.4604 15.0767 15.0767 17.4681 17.4681 18.8557 18.8557 19.1211 19.1211 k = 0.0000 0.0000 0.8045 ( 2044 PWs) bands (ev): 4.3065 4.3065 4.3330 4.3330 4.5366 4.5366 4.6671 4.6671 5.3561 5.3561 6.1249 6.1249 6.1351 6.1351 6.7011 6.7011 7.0842 7.0842 7.4322 7.4322 7.9420 7.9420 8.2251 8.2251 8.3293 8.3293 8.9031 8.9031 10.1860 10.1860 10.2936 10.2936 13.4607 13.4607 15.0776 15.0776 17.4737 17.4737 18.8649 18.8649 19.1257 19.1258 k = 0.0000 0.5000-0.0000 ( 2054 PWs) bands (ev): 3.5627 3.5627 4.0433 4.0433 4.0466 4.0466 4.6721 4.6721 4.9844 4.9844 5.8798 5.8798 5.9463 5.9463 6.2997 6.2997 6.4127 6.4127 6.7688 6.7688 6.9576 6.9576 7.0140 7.0140 8.5509 8.5509 9.1010 9.1010 10.1707 10.1707 10.7990 10.7990 11.6521 11.6521 13.9813 13.9813 16.0835 16.0835 16.4112 16.4112 16.9806 16.9806 k = 0.0000 0.5000 0.0149 ( 2054 PWs) bands (ev): 3.5645 3.5645 4.0434 4.0434 4.0488 4.0488 4.6719 4.6719 4.9848 4.9848 5.8793 5.8793 5.9459 5.9459 6.2994 6.2994 6.4120 6.4120 6.7681 6.7681 6.9552 6.9552 7.0151 7.0151 8.5523 8.5523 9.1037 9.1037 10.1713 10.1713 10.7996 10.7996 11.6461 11.6461 13.9895 13.9895 16.0857 16.0857 16.4108 16.4108 16.9822 16.9822 k = 0.0000 0.5000 0.0298 ( 2052 PWs) bands (ev): 3.5699 3.5699 4.0451 4.0451 4.0543 4.0543 4.6712 4.6712 4.9860 4.9860 5.8779 5.8779 5.9450 5.9450 6.2984 6.2984 6.4100 6.4100 6.7661 6.7661 6.9487 6.9487 7.0180 7.0180 8.5563 8.5563 9.1120 9.1120 10.1732 10.1732 10.8013 10.8013 11.6284 11.6284 14.0136 14.0136 16.0921 16.0921 16.4095 16.4095 16.9871 16.9871 k = 0.0000 0.5000 0.0447 ( 2060 PWs) bands (ev): 3.5789 3.5789 4.0486 4.0486 4.0625 4.0625 4.6699 4.6699 4.9879 4.9879 5.8754 5.8754 5.9434 5.9434 6.2967 6.2967 6.4065 6.4065 6.7630 6.7630 6.9389 6.9389 7.0217 7.0217 8.5630 8.5630 9.1257 9.1257 10.1764 10.1764 10.8040 10.8040 11.5998 11.5998 14.0529 14.0529 16.1027 16.1027 16.4075 16.4075 16.9954 16.9954 k = 0.0000 0.5000 0.0596 ( 2060 PWs) bands (ev): 3.5915 3.5915 4.0541 4.0541 4.0733 4.0733 4.6683 4.6683 4.9907 4.9907 5.8721 5.8721 5.9412 5.9412 6.2943 6.2943 6.4015 6.4015 6.7590 6.7590 6.9268 6.9268 7.0255 7.0255 8.5724 8.5724 9.1444 9.1444 10.1809 10.1809 10.8076 10.8076 11.5617 11.5617 14.1063 14.1063 16.1175 16.1175 16.4047 16.4047 17.0069 17.0069 k = 0.0000 0.5000 0.0745 ( 2056 PWs) bands (ev): 3.6075 3.6075 4.0615 4.0615 4.0867 4.0867 4.6661 4.6661 4.9943 4.9943 5.8679 5.8679 5.9386 5.9386 6.2911 6.2911 6.3947 6.3947 6.7544 6.7544 6.9130 6.9130 7.0292 7.0292 8.5845 8.5845 9.1680 9.1680 10.1867 10.1867 10.8120 10.8120 11.5155 11.5155 14.1724 14.1724 16.1366 16.1366 16.4011 16.4011 17.0216 17.0216 k = 0.0000 0.5000 0.0894 ( 2056 PWs) bands (ev): 3.6269 3.6269 4.0707 4.0707 4.1026 4.1026 4.6634 4.6634 4.9987 4.9987 5.8631 5.8631 5.9356 5.9356 6.2871 6.2871 6.3860 6.3860 6.7496 6.7496 6.8976 6.8976 7.0326 7.0326 8.5992 8.5992 9.1961 9.1961 10.1936 10.1936 10.8168 10.8168 11.4631 11.4631 14.2496 14.2496 16.1598 16.1598 16.3967 16.3967 17.0396 17.0396 k = 0.0000 0.5000 0.1043 ( 2060 PWs) bands (ev): 3.6496 3.6496 4.0815 4.0815 4.1208 4.1208 4.6603 4.6603 5.0041 5.0041 5.8576 5.8576 5.9322 5.9322 6.2819 6.2819 6.3754 6.3754 6.7452 6.7452 6.8812 6.8812 7.0358 7.0358 8.6166 8.6166 9.2282 9.2282 10.2018 10.2018 10.8215 10.8215 11.4064 11.4064 14.3367 14.3367 16.1872 16.1872 16.3917 16.3917 17.0608 17.0608 k = 0.0000 0.5000 0.1192 ( 2060 PWs) bands (ev): 3.6754 3.6754 4.0940 4.0940 4.1411 4.1411 4.6567 4.6567 5.0104 5.0104 5.8519 5.8519 5.9287 5.9287 6.2755 6.2755 6.3628 6.3628 6.7416 6.7416 6.8637 6.8637 7.0387 7.0387 8.6366 8.6366 9.2639 9.2639 10.2112 10.2112 10.8254 10.8254 11.3475 11.3475 14.4321 14.4321 16.2186 16.2186 16.3861 16.3861 17.0851 17.0851 k = 0.0000 0.5000 0.1341 ( 2064 PWs) bands (ev): 3.7041 3.7041 4.1080 4.1080 4.1632 4.1632 4.6527 4.6527 5.0177 5.0177 5.8459 5.8459 5.9251 5.9251 6.2675 6.2675 6.3485 6.3485 6.7390 6.7390 6.8456 6.8456 7.0415 7.0415 8.6593 8.6593 9.3027 9.3027 10.2216 10.2216 10.8273 10.8273 11.2886 11.2886 14.5349 14.5349 16.2539 16.2539 16.3800 16.3800 17.1125 17.1125 k = 0.0000 0.5000 0.1490 ( 2058 PWs) bands (ev): 3.7356 3.7356 4.1235 4.1235 4.1870 4.1870 4.6483 4.6483 5.0261 5.0261 5.8400 5.8400 5.9217 5.9217 6.2572 6.2572 6.3331 6.3331 6.7379 6.7379 6.8268 6.8268 7.0443 7.0443 8.6845 8.6845 9.3441 9.3441 10.2331 10.2331 10.8256 10.8256 11.2327 11.2327 14.6438 14.6438 16.2928 16.2928 16.3738 16.3738 17.1429 17.1429 k = 0.0000 0.5000 0.1639 ( 2054 PWs) bands (ev): 3.7695 3.7695 4.1405 4.1405 4.2119 4.2119 4.6435 4.6435 5.0356 5.0356 5.8344 5.8344 5.9184 5.9184 6.2440 6.2440 6.3173 6.3173 6.7384 6.7384 6.8077 6.8077 7.0472 7.0472 8.7122 8.7122 9.3876 9.3876 10.2454 10.2454 10.8175 10.8175 11.1835 11.1835 14.7580 14.7580 16.3331 16.3331 16.3697 16.3697 17.1763 17.1763 k = 0.0000 0.5000 0.1788 ( 2062 PWs) bands (ev): 3.8056 3.8056 4.1587 4.1587 4.2376 4.2376 4.6384 4.6384 5.0465 5.0465 5.8294 5.8294 5.9155 5.9155 6.2270 6.2270 6.3023 6.3023 6.7401 6.7401 6.7887 6.7887 7.0503 7.0503 8.7424 8.7424 9.4327 9.4327 10.2584 10.2584 10.8001 10.8001 11.1448 11.1448 14.8767 14.8767 16.3511 16.3511 16.3914 16.3914 17.2127 17.2127 k = 0.0000 0.5000 0.1937 ( 2066 PWs) bands (ev): 3.8434 3.8434 4.1783 4.1783 4.2636 4.2636 4.6332 4.6332 5.0588 5.0588 5.8254 5.8254 5.9132 5.9132 6.2059 6.2059 6.2885 6.2885 6.7418 6.7418 6.7715 6.7715 7.0538 7.0538 8.7750 8.7750 9.4790 9.4790 10.2717 10.2717 10.7717 10.7717 11.1195 11.1195 14.9991 14.9991 16.3459 16.3459 16.4400 16.4400 17.2518 17.2518 k = 0.0000 0.5000 0.2086 ( 2066 PWs) bands (ev): 3.8826 3.8826 4.1991 4.1991 4.2893 4.2893 4.6279 4.6279 5.0727 5.0727 5.8226 5.8226 5.9116 5.9116 6.1812 6.1812 6.2760 6.2760 6.7364 6.7364 6.7633 6.7633 7.0578 7.0578 8.8099 8.8099 9.5260 9.5260 10.2846 10.2846 10.7334 10.7334 11.1078 11.1078 15.1246 15.1246 16.3382 16.3382 16.4948 16.4948 17.2937 17.2937 k = 0.0000 0.5000 0.2235 ( 2074 PWs) bands (ev): 3.9225 3.9225 4.2213 4.2213 4.3141 4.3141 4.6229 4.6229 5.0884 5.0884 5.8213 5.8213 5.9109 5.9109 6.1537 6.1537 6.2644 6.2644 6.7202 6.7202 6.7676 6.7676 7.0625 7.0625 8.8470 8.8470 9.5731 9.5731 10.2958 10.2958 10.6892 10.6892 11.1074 11.1074 15.2524 15.2524 16.3300 16.3300 16.5538 16.5538 17.3382 17.3382 k = 0.0000 0.5000 0.2384 ( 2074 PWs) bands (ev): 3.9626 3.9626 4.2448 4.2448 4.3372 4.3372 4.6182 4.6182 5.1059 5.1059 5.8219 5.8219 5.9112 5.9112 6.1242 6.1242 6.2534 6.2534 6.7009 6.7009 6.7772 6.7772 7.0679 7.0679 8.8861 8.8861 9.6200 9.6200 10.3033 10.3033 10.6448 10.6448 11.1154 11.1154 15.3820 15.3820 16.3219 16.3219 16.6169 16.6169 17.3854 17.3854 k = 0.0000 0.5000 0.2533 ( 2074 PWs) bands (ev): 4.0021 4.0021 4.2696 4.2696 4.3580 4.3580 4.6142 4.6142 5.1255 5.1255 5.8247 5.8247 5.9126 5.9126 6.0935 6.0935 6.2425 6.2425 6.6809 6.6809 6.7896 6.7896 7.0743 7.0743 8.9270 8.9270 9.6662 9.6662 10.3036 10.3036 10.6065 10.6065 11.1293 11.1293 15.5125 15.5125 16.3142 16.3142 16.6840 16.6840 17.4350 17.4350 k = 0.0000 0.5000 0.2682 ( 2074 PWs) bands (ev): 4.0402 4.0402 4.2957 4.2957 4.3758 4.3758 4.6113 4.6113 5.1474 5.1474 5.8297 5.8297 5.9148 5.9148 6.0628 6.0628 6.2317 6.2317 6.6609 6.6609 6.8044 6.8044 7.0817 7.0817 8.9694 8.9694 9.7114 9.7114 10.2923 10.2923 10.5809 10.5809 11.1475 11.1475 15.6431 15.6431 16.3076 16.3076 16.7549 16.7549 17.4869 17.4869 k = 0.0000 0.5000 0.2831 ( 2062 PWs) bands (ev): 4.0761 4.0761 4.3231 4.3231 4.3903 4.3903 4.6097 4.6097 5.1715 5.1715 5.8373 5.8373 5.9173 5.9173 6.0335 6.0335 6.2209 6.2209 6.6413 6.6413 6.8214 6.8214 7.0905 7.0905 9.0129 9.0129 9.7552 9.7552 10.2672 10.2672 10.5717 10.5717 11.1690 11.1690 15.7721 15.7721 16.3032 16.3032 16.8298 16.8298 17.5412 17.5412 k = 0.0000 0.5000 0.2980 ( 2066 PWs) bands (ev): 4.1091 4.1091 4.3512 4.3512 4.4014 4.4014 4.6096 4.6096 5.1980 5.1980 5.8474 5.8474 5.9175 5.9175 6.0088 6.0088 6.2101 6.2101 6.6222 6.6222 6.8407 6.8407 7.1007 7.1007 9.0571 9.0571 9.7973 9.7973 10.2305 10.2305 10.5779 10.5779 11.1931 11.1931 15.8967 15.8967 16.3031 16.3031 16.9087 16.9087 17.5976 17.5976 k = 0.0000 0.5000 0.3129 ( 2066 PWs) bands (ev): 4.1384 4.1384 4.3784 4.3784 4.4106 4.4106 4.6108 4.6108 5.2268 5.2268 5.8598 5.8598 5.9104 5.9104 5.9942 5.9942 6.1993 6.1993 6.6038 6.6038 6.8623 6.8623 7.1127 7.1127 9.1013 9.1013 9.8375 9.8375 10.1872 10.1872 10.5957 10.5957 11.2193 11.2193 16.0107 16.0107 16.3134 16.3134 16.9916 16.9916 17.6561 17.6561 k = 0.0000 0.5000 0.3278 ( 2066 PWs) bands (ev): 4.1634 4.1634 4.3980 4.3980 4.4246 4.4246 4.6129 4.6129 5.2577 5.2577 5.8745 5.8745 5.8927 5.8927 5.9941 5.9941 6.1887 6.1887 6.5865 6.5865 6.8863 6.8863 7.1267 7.1267 9.1447 9.1447 9.8758 9.8758 10.1418 10.1418 10.6214 10.6214 11.2474 11.2474 16.1000 16.1000 16.3474 16.3474 17.0785 17.0785 17.7166 17.7166 k = 0.0000 0.5000 0.3427 ( 2070 PWs) bands (ev): 4.1838 4.1838 4.4045 4.4045 4.4492 4.4492 4.6156 4.6156 5.2902 5.2902 5.8676 5.8676 5.8916 5.8916 6.0048 6.0048 6.1785 6.1785 6.5704 6.5704 6.9128 6.9128 7.1432 7.1432 9.1861 9.1861 9.9120 9.9120 10.0980 10.0980 10.6526 10.6526 11.2770 11.2770 16.1494 16.1494 16.4196 16.4196 17.1695 17.1695 17.7790 17.7790 k = 0.0000 0.5000 0.3576 ( 2070 PWs) bands (ev): 4.1992 4.1992 4.4059 4.4059 4.4768 4.4768 4.6182 4.6182 5.3238 5.3238 5.8408 5.8408 5.9103 5.9103 6.0217 6.0217 6.1691 6.1691 6.5557 6.5557 6.9419 6.9419 7.1625 7.1625 9.2243 9.2243 9.9457 9.9457 10.0591 10.0591 10.6877 10.6877 11.3081 11.3081 16.1669 16.1669 16.5211 16.5211 17.2644 17.2644 17.8432 17.8432 k = 0.0000 0.5000 0.3725 ( 2066 PWs) bands (ev): 4.2092 4.2092 4.4063 4.4063 4.5035 4.5035 4.6204 4.6204 5.3575 5.3575 5.8146 5.8146 5.9308 5.9308 6.0419 6.0419 6.1614 6.1614 6.5429 6.5429 6.9735 6.9735 7.1853 7.1853 9.2573 9.2573 9.9745 9.9745 10.0300 10.0300 10.7258 10.7258 11.3405 11.3405 16.1693 16.1693 16.6342 16.6342 17.3632 17.3632 17.9092 17.9092 k = 0.0000 0.5000 0.3874 ( 2066 PWs) bands (ev): 4.2139 4.2139 4.4071 4.4071 4.5283 4.5283 4.6219 4.6219 5.3898 5.3898 5.7907 5.7907 5.9530 5.9530 6.0623 6.0623 6.1571 6.1571 6.5321 6.5321 7.0075 7.0075 7.2124 7.2124 9.2832 9.2832 9.9829 9.9829 10.0289 10.0289 10.7660 10.7660 11.3740 11.3740 16.1650 16.1650 16.7494 16.7494 17.4653 17.4653 17.9771 17.9771 k = 0.0000 0.5000 0.4022 ( 2062 PWs) bands (ev): 4.2133 4.2133 4.4090 4.4090 4.5504 4.5504 4.6226 4.6226 5.4187 5.4187 5.7710 5.7710 5.9767 5.9767 6.0788 6.0788 6.1600 6.1600 6.5237 6.5237 7.0437 7.0437 7.2445 7.2445 9.3002 9.3002 9.9740 9.9740 10.0547 10.0547 10.8078 10.8078 11.4087 11.4087 16.1570 16.1570 16.8621 16.8621 17.5697 17.5697 18.0471 18.0471 k = 0.0000 0.5000 0.4171 ( 2060 PWs) bands (ev): 4.2080 4.2080 4.4121 4.4121 4.5696 4.5696 4.6225 4.6225 5.4417 5.4417 5.7571 5.7571 6.0010 6.0010 6.0876 6.0876 6.1737 6.1737 6.5181 6.5181 7.0818 7.0818 7.2827 7.2827 9.3071 9.3071 9.9709 9.9709 10.0860 10.0860 10.8506 10.8506 11.4443 11.4443 16.1463 16.1463 16.9694 16.9694 17.6745 17.6745 18.1195 18.1195 k = 0.0000 0.5000 0.4320 ( 2066 PWs) bands (ev): 4.1988 4.1988 4.4162 4.4162 4.5854 4.5854 4.6219 4.6219 5.4563 5.4563 5.7506 5.7506 6.0239 6.0239 6.0911 6.0911 6.1974 6.1974 6.5154 6.5154 7.1215 7.1215 7.3279 7.3279 9.3037 9.3037 9.9767 9.9767 10.1196 10.1196 10.8941 10.8941 11.4809 11.4809 16.1331 16.1331 17.0688 17.0688 17.7763 17.7763 18.1953 18.1953 k = 0.0000 0.5000 0.4469 ( 2058 PWs) bands (ev): 4.1865 4.1865 4.4207 4.4207 4.5970 4.5970 4.6217 4.6217 5.4613 5.4613 5.7522 5.7522 6.0403 6.0403 6.0973 6.0973 6.2271 6.2271 6.5159 6.5159 7.1628 7.1628 7.3804 7.3804 9.2912 9.2912 9.9902 9.9902 10.1560 10.1560 10.9379 10.9379 11.5184 11.5184 16.1170 16.1170 17.1569 17.1569 17.8688 17.8688 18.2759 18.2759 k = 0.0000 0.5000 0.4618 ( 2054 PWs) bands (ev): 4.1719 4.1719 4.4252 4.4252 4.6029 4.6029 4.6239 4.6239 5.4572 5.4572 5.7606 5.7606 6.0454 6.0454 6.1123 6.1123 6.2609 6.2609 6.5196 6.5196 7.2060 7.2060 7.4405 7.4405 9.2714 9.2714 10.0088 10.0088 10.1959 10.1959 10.9816 10.9816 11.5567 11.5567 16.0973 16.0973 17.2294 17.2294 17.9405 17.9405 18.3634 18.3634 k = 0.0000 0.5000 0.4767 ( 2054 PWs) bands (ev): 4.1556 4.1556 4.4295 4.4295 4.6028 4.6028 4.6291 4.6291 5.4460 5.4460 5.7734 5.7734 6.0424 6.0424 6.1329 6.1329 6.2977 6.2977 6.5266 6.5266 7.2519 7.2519 7.5080 7.5080 9.2463 9.2463 10.0298 10.0298 10.2396 10.2396 11.0251 11.0251 11.5957 11.5957 16.0730 16.0730 17.2802 17.2802 17.9732 17.9732 18.4577 18.4577 k = 0.0000 0.5000 0.4916 ( 2058 PWs) bands (ev): 4.1382 4.1382 4.4332 4.4332 4.5996 4.5996 4.6347 4.6347 5.4300 5.4300 5.7880 5.7880 6.0360 6.0360 6.1542 6.1542 6.3367 6.3367 6.5366 6.5366 7.3011 7.3011 7.5821 7.5821 9.2177 9.2177 10.0515 10.0515 10.2873 10.2873 11.0682 11.0682 11.6353 11.6353 16.0427 16.0427 17.3012 17.3012 17.9491 17.9491 18.5334 18.5334 k = 0.0000 0.5000 0.5065 ( 2054 PWs) bands (ev): 4.1201 4.1201 4.4363 4.4363 4.5949 4.5949 4.6395 4.6395 5.4110 5.4110 5.8027 5.8027 6.0284 6.0284 6.1742 6.1742 6.3767 6.3767 6.5495 6.5495 7.3543 7.3543 7.6621 7.6621 9.1872 9.1872 10.0725 10.0725 10.3384 10.3384 11.1106 11.1106 11.6756 11.6756 16.0048 16.0048 17.2839 17.2839 17.8733 17.8733 18.5478 18.5478 k = 0.0000 0.5000 0.5214 ( 2056 PWs) bands (ev): 4.1016 4.1016 4.4387 4.4387 4.5894 4.5894 4.6433 4.6433 5.3906 5.3906 5.8163 5.8163 6.0202 6.0202 6.1925 6.1925 6.4161 6.4161 6.5653 6.5653 7.4124 7.4124 7.7472 7.7472 9.1558 9.1558 10.0924 10.0924 10.3920 10.3920 11.1524 11.1524 11.7163 11.7163 15.9577 15.9577 17.2224 17.2224 17.7737 17.7737 18.5679 18.5679 k = 0.0000 0.5000 0.5363 ( 2062 PWs) bands (ev): 4.0830 4.0830 4.4402 4.4402 4.5834 4.5834 4.6460 4.6460 5.3694 5.3694 5.8283 5.8283 6.0119 6.0119 6.2094 6.2094 6.4527 6.4527 6.5841 6.5841 7.4756 7.4756 7.8364 7.8364 9.1245 9.1245 10.1112 10.1112 10.4471 10.4471 11.1935 11.1935 11.7575 11.7575 15.8998 15.8998 17.1171 17.1171 17.6756 17.6756 18.6035 18.6035 k = 0.0000 0.5000 0.5512 ( 2066 PWs) bands (ev): 4.0644 4.0644 4.4410 4.4410 4.5770 4.5770 4.6479 4.6479 5.3481 5.3481 5.8384 5.8384 6.0036 6.0036 6.2254 6.2254 6.4851 6.4851 6.6058 6.6058 7.5442 7.5442 7.9288 7.9288 9.0939 9.0939 10.1289 10.1289 10.5026 10.5026 11.2339 11.2339 11.7990 11.7990 15.8300 15.8300 16.9761 16.9761 17.5923 17.5923 18.6552 18.6552 k = 0.0000 0.5000 0.5661 ( 2070 PWs) bands (ev): 4.0462 4.0462 4.4411 4.4411 4.5705 4.5705 4.6490 4.6490 5.3271 5.3271 5.8468 5.8468 5.9954 5.9954 6.2407 6.2407 6.5124 6.5124 6.6302 6.6302 7.6178 7.6178 8.0233 8.0233 9.0644 9.0644 10.1460 10.1460 10.5573 10.5573 11.2737 11.2737 11.8408 11.8408 15.7481 15.7481 16.8107 16.8107 17.5282 17.5282 18.7208 18.7208 k = 0.0000 0.5000 0.5810 ( 2052 PWs) bands (ev): 4.0285 4.0285 4.4405 4.4405 4.5639 4.5639 4.6496 4.6496 5.3068 5.3068 5.8535 5.8535 5.9873 5.9873 6.2556 6.2556 6.5348 6.5348 6.6562 6.6562 7.6960 7.6960 8.1191 8.1191 9.0365 9.0365 10.1625 10.1625 10.6103 10.6103 11.3130 11.3130 11.8830 11.8830 15.6549 15.6549 16.6310 16.6310 17.4837 17.4837 18.7959 18.7959 k = 0.0000 0.5000 0.5959 ( 2064 PWs) bands (ev): 4.0114 4.0114 4.4394 4.4394 4.5573 4.5573 4.6497 4.6497 5.2872 5.2872 5.8588 5.8588 5.9795 5.9795 6.2703 6.2703 6.5532 6.5532 6.6823 6.6823 7.7778 7.7778 8.2151 8.2151 9.0106 9.0106 10.1787 10.1787 10.6604 10.6604 11.3519 11.3519 11.9253 11.9253 15.5519 15.5519 16.4441 16.4441 17.4576 17.4576 18.8746 18.8746 k = 0.0000 0.5000 0.6108 ( 2064 PWs) bands (ev): 3.9950 3.9950 4.4377 4.4377 4.5509 4.5509 4.6494 4.6494 5.2685 5.2685 5.8629 5.8629 5.9719 5.9719 6.2847 6.2847 6.5685 6.5685 6.7075 6.7075 7.8623 7.8623 8.3103 8.3103 8.9869 8.9869 10.1950 10.1950 10.7068 10.7068 11.3907 11.3907 11.9680 11.9680 15.4414 15.4414 16.2551 16.2551 17.4484 17.4484 18.9521 18.9521 k = 0.0000 0.5000 0.6257 ( 2066 PWs) bands (ev): 3.9794 3.9794 4.4357 4.4357 4.5446 4.5446 4.6489 4.6489 5.2510 5.2510 5.8661 5.8661 5.9646 5.9646 6.2987 6.2987 6.5816 6.5816 6.7310 6.7310 7.9480 7.9480 8.4037 8.4037 8.9658 8.9658 10.2115 10.2115 10.7485 10.7485 11.4294 11.4294 12.0109 12.0109 15.3259 15.3259 16.0674 16.0674 17.4543 17.4543 19.0250 19.0250 k = 0.0000 0.5000 0.6406 ( 2062 PWs) bands (ev): 3.9648 3.9648 4.4334 4.4334 4.5386 4.5386 4.6483 4.6483 5.2346 5.2346 5.8685 5.8685 5.9576 5.9576 6.3122 6.3122 6.5929 6.5929 6.7525 6.7525 8.0335 8.0335 8.4943 8.4943 8.9476 8.9476 10.2285 10.2285 10.7848 10.7848 11.4680 11.4680 12.0542 12.0542 15.2076 15.2076 15.8838 15.8838 17.4733 17.4733 19.0922 19.0922 k = 0.0000 0.5000 0.6555 ( 2066 PWs) bands (ev): 3.9512 3.9512 4.4310 4.4310 4.5329 4.5329 4.6475 4.6475 5.2194 5.2194 5.8704 5.8704 5.9509 5.9509 6.3251 6.3251 6.6026 6.6026 6.7718 6.7718 8.1171 8.1171 8.5810 8.5810 8.9327 8.9327 10.2461 10.2461 10.8149 10.8149 11.5064 11.5064 12.0980 12.0980 15.0888 15.0888 15.7067 15.7067 17.5032 17.5032 19.1541 19.1541 k = 0.0000 0.5000 0.6704 ( 2058 PWs) bands (ev): 3.9387 3.9387 4.4284 4.4284 4.5276 4.5276 4.6466 4.6466 5.2055 5.2055 5.8719 5.8719 5.9446 5.9446 6.3373 6.3373 6.6111 6.6111 6.7890 6.7890 8.1970 8.1970 8.6628 8.6628 8.9214 8.9214 10.2644 10.2644 10.8385 10.8385 11.5443 11.5443 12.1423 12.1423 14.9712 14.9712 15.5384 15.5384 17.5421 17.5421 19.2114 19.2114 k = 0.0000 0.5000 0.6853 ( 2058 PWs) bands (ev): 3.9273 3.9273 4.4259 4.4259 4.5227 4.5227 4.6457 4.6457 5.1930 5.1930 5.8731 5.8731 5.9386 5.9386 6.3485 6.3485 6.6185 6.6185 6.8040 6.8040 8.2712 8.2712 8.7389 8.7389 8.9143 8.9143 10.2836 10.2836 10.8555 10.8555 11.5812 11.5812 12.1871 12.1871 14.8565 14.8565 15.3813 15.3813 17.5878 17.5878 19.2644 19.2644 k = 0.0000 0.5000 0.7002 ( 2058 PWs) bands (ev): 3.9172 3.9172 4.4235 4.4235 4.5182 4.5182 4.6449 4.6449 5.1819 5.1819 5.8742 5.8742 5.9332 5.9332 6.3588 6.3588 6.6248 6.6248 6.8170 6.8170 8.3380 8.3380 8.8081 8.8081 8.9117 8.9117 10.3035 10.3035 10.8659 10.8659 11.6163 11.6163 12.2323 12.2323 14.7457 14.7457 15.2379 15.2379 17.6384 17.6384 19.3134 19.3134 k = 0.0000 0.5000 0.7151 ( 2058 PWs) bands (ev): 3.9083 3.9083 4.4212 4.4212 4.5143 4.5143 4.6440 4.6440 5.1721 5.1721 5.8752 5.8752 5.9282 5.9282 6.3679 6.3679 6.6302 6.6302 6.8280 6.8280 8.3957 8.3957 8.8695 8.8695 8.9140 8.9140 10.3239 10.3239 10.8704 10.8704 11.6489 11.6489 12.2773 12.2773 14.6404 14.6404 15.1104 15.1104 17.6913 17.6913 19.3585 19.3585 k = 0.0000 0.5000 0.7300 ( 2058 PWs) bands (ev): 3.9007 3.9007 4.4192 4.4192 4.5110 4.5110 4.6433 4.6433 5.1639 5.1639 5.8762 5.8762 5.9237 5.9237 6.3758 6.3758 6.6347 6.6347 6.8372 6.8372 8.4432 8.4432 8.9153 8.9153 8.9279 8.9279 10.3444 10.3444 10.8698 10.8698 11.6779 11.6779 12.3212 12.3212 14.5423 14.5423 15.0010 15.0010 17.7439 17.7439 19.3999 19.3999 k = 0.0000 0.5000 0.7449 ( 2058 PWs) bands (ev): 3.8945 3.8945 4.4174 4.4174 4.5082 4.5082 4.6427 4.6427 5.1571 5.1571 5.8771 5.8771 5.9199 5.9199 6.3824 6.3824 6.6383 6.6383 6.8447 6.8447 8.4800 8.4800 8.9275 8.9275 8.9695 8.9695 10.3640 10.3640 10.8654 10.8654 11.7027 11.7027 12.3624 12.3624 14.4539 14.4539 14.9110 14.9110 17.7935 17.7935 19.4373 19.4373 k = 0.0000 0.5000 0.7598 ( 2064 PWs) bands (ev): 3.8896 3.8896 4.4160 4.4160 4.5060 4.5060 4.6422 4.6422 5.1518 5.1518 5.8779 5.8779 5.9167 5.9167 6.3876 6.3876 6.6410 6.6410 6.8504 6.8504 8.5069 8.5069 8.9383 8.9383 9.0045 9.0045 10.3818 10.3818 10.8588 10.8588 11.7226 11.7226 12.3988 12.3988 14.3789 14.3789 14.8411 14.8411 17.8368 17.8368 19.4701 19.4701 k = 0.0000 0.5000 0.7747 ( 2064 PWs) bands (ev): 3.8861 3.8861 4.4150 4.4150 4.5044 4.5044 4.6418 4.6418 5.1480 5.1480 5.8785 5.8785 5.9144 5.9144 6.3914 6.3914 6.6430 6.6430 6.8544 6.8544 8.5247 8.5247 8.9480 8.9480 9.0299 9.0299 10.3961 10.3961 10.8520 10.8520 11.7371 11.7371 12.4277 12.4277 14.3213 14.3213 14.7914 14.7914 17.8707 17.8707 19.4970 19.4970 k = 0.0000 0.5000 0.7896 ( 2064 PWs) bands (ev): 3.8840 3.8840 4.4144 4.4144 4.5035 4.5035 4.6416 4.6416 5.1457 5.1457 5.8790 5.8790 5.9129 5.9129 6.3936 6.3936 6.6442 6.6442 6.8569 6.8569 8.5348 8.5348 8.9547 8.9547 9.0453 9.0453 10.4056 10.4056 10.8470 10.8470 11.7460 11.7460 12.4463 12.4463 14.2847 14.2847 14.7617 14.7617 17.8924 17.8924 19.5153 19.5153 k = 0.0000 0.5000 0.8045 ( 2064 PWs) bands (ev): 3.8833 3.8833 4.4142 4.4142 4.5031 4.5031 4.6415 4.6415 5.1449 5.1449 5.8791 5.8791 5.9124 5.9124 6.3944 6.3944 6.6446 6.6446 6.8577 6.8577 8.5381 8.5381 8.9571 8.9571 9.0504 9.0504 10.4089 10.4089 10.8451 10.8451 11.7489 11.7489 12.4528 12.4528 14.2722 14.2722 14.7519 14.7519 17.8998 17.8998 19.5219 19.5219 k = 0.5000 0.5000-0.0000 ( 2060 PWs) bands (ev): 4.0421 4.0421 4.0538 4.0538 4.3979 4.3979 4.6188 4.6188 5.4592 5.4592 6.0696 6.0696 6.2749 6.2749 6.2843 6.2843 6.3621 6.3621 6.9514 6.9514 7.0784 7.0784 8.3902 8.3902 8.4085 8.4085 8.4905 8.4905 8.8802 8.8802 9.2419 9.2419 10.5854 10.5854 10.9841 10.9841 13.0792 13.0792 22.1840 22.1840 24.8996 24.8996 k = 0.5000 0.5000 0.0149 ( 2052 PWs) bands (ev): 4.0436 4.0436 4.0553 4.0553 4.3976 4.3976 4.6189 4.6189 5.4581 5.4581 6.0692 6.0692 6.2474 6.2474 6.3130 6.3130 6.3611 6.3611 6.9480 6.9480 7.0776 7.0776 8.3921 8.3921 8.4092 8.4092 8.4894 8.4894 8.8847 8.8847 9.2451 9.2451 10.5866 10.5866 10.9853 10.9853 13.0801 13.0801 22.1864 22.1864 24.8971 24.8971 k = 0.5000 0.5000 0.0298 ( 2052 PWs) bands (ev): 4.0480 4.0480 4.0598 4.0598 4.3964 4.3964 4.6191 4.6191 5.4548 5.4548 6.0680 6.0680 6.2166 6.2166 6.3474 6.3474 6.3584 6.3584 6.9379 6.9379 7.0750 7.0750 8.3952 8.3952 8.4138 8.4138 8.4862 8.4862 8.8981 8.8981 9.2546 9.2546 10.5902 10.5902 10.9887 10.9887 13.0825 13.0825 22.1935 22.1935 24.8893 24.8893 k = 0.5000 0.5000 0.0447 ( 2076 PWs) bands (ev): 4.0553 4.0553 4.0673 4.0673 4.3945 4.3945 4.6194 4.6194 5.4493 5.4493 6.0659 6.0659 6.1863 6.1863 6.3539 6.3539 6.3837 6.3837 6.9215 6.9215 7.0709 7.0709 8.3947 8.3947 8.4271 8.4271 8.4813 8.4813 8.9197 8.9197 9.2703 9.2703 10.5962 10.5962 10.9944 10.9944 13.0865 13.0865 22.2052 22.2052 24.8757 24.8757 k = 0.5000 0.5000 0.0596 ( 2076 PWs) bands (ev): 4.0654 4.0654 4.0777 4.0777 4.3918 4.3918 4.6198 4.6198 5.4419 5.4419 6.0630 6.0630 6.1562 6.1562 6.3479 6.3479 6.4220 6.4220 6.8993 6.8993 7.0653 7.0653 8.3911 8.3911 8.4480 8.4480 8.4755 8.4755 8.9487 8.9487 9.2920 9.2920 10.6047 10.6047 11.0024 11.0024 13.0922 13.0922 22.2214 22.2214 24.8558 24.8558 k = 0.5000 0.5000 0.0745 ( 2076 PWs) bands (ev): 4.0781 4.0781 4.0909 4.0909 4.3885 4.3885 4.6202 4.6202 5.4327 5.4327 6.0591 6.0591 6.1262 6.1262 6.3406 6.3406 6.4625 6.4625 6.8717 6.8717 7.0587 7.0587 8.3858 8.3858 8.4692 8.4692 8.4749 8.4749 8.9844 8.9844 9.3192 9.3192 10.6154 10.6154 11.0126 11.0126 13.0994 13.0994 22.2420 22.2420 24.8284 24.8284 k = 0.5000 0.5000 0.0894 ( 2076 PWs) bands (ev): 4.0934 4.0934 4.1068 4.1068 4.3844 4.3844 4.6208 4.6208 5.4220 5.4220 6.0543 6.0543 6.0960 6.0960 6.3323 6.3323 6.5052 6.5052 6.8396 6.8396 7.0514 7.0514 8.3792 8.3792 8.4630 8.4630 8.5068 8.5068 9.0259 9.0259 9.3518 9.3518 10.6285 10.6285 11.0249 11.0249 13.1083 13.1083 22.2667 22.2667 24.7921 24.7921 k = 0.5000 0.5000 0.1043 ( 2068 PWs) bands (ev): 4.1110 4.1110 4.1252 4.1252 4.3796 4.3796 4.6214 4.6214 5.4102 5.4102 6.0484 6.0484 6.0657 6.0657 6.3233 6.3233 6.5499 6.5499 6.8036 6.8036 7.0440 7.0440 8.3718 8.3718 8.4572 8.4572 8.5430 8.5430 9.0726 9.0726 9.3894 9.3894 10.6438 10.6438 11.0393 11.0393 13.1188 13.1188 22.2952 22.2952 24.7448 24.7448 k = 0.5000 0.5000 0.1192 ( 2060 PWs) bands (ev): 4.1307 4.1307 4.1458 4.1458 4.3742 4.3742 4.6220 4.6220 5.3976 5.3976 6.0350 6.0350 6.0416 6.0416 6.3138 6.3138 6.5960 6.5960 6.7646 6.7646 7.0372 7.0372 8.3636 8.3636 8.4521 8.4521 8.5829 8.5829 9.1239 9.1239 9.4314 9.4314 10.6614 10.6614 11.0556 11.0556 13.1308 13.1308 22.3270 22.3270 24.6839 24.6839 k = 0.5000 0.5000 0.1341 ( 2060 PWs) bands (ev): 4.1520 4.1520 4.1684 4.1684 4.3683 4.3683 4.6225 4.6225 5.3847 5.3847 6.0041 6.0041 6.0338 6.0338 6.3040 6.3040 6.6427 6.6427 6.7232 6.7232 7.0324 7.0324 8.3549 8.3549 8.4479 8.4479 8.6261 8.6261 9.1791 9.1791 9.4775 9.4775 10.6811 10.6811 11.0739 11.0739 13.1445 13.1445 22.3616 22.3616 24.6067 24.6067 k = 0.5000 0.5000 0.1490 ( 2052 PWs) bands (ev): 4.1747 4.1747 4.1927 4.1927 4.3620 4.3620 4.6229 4.6229 5.3719 5.3719 5.9730 5.9730 6.0252 6.0252 6.2939 6.2939 6.6802 6.6802 6.6882 6.6882 7.0317 7.0317 8.3458 8.3458 8.4445 8.4445 8.6720 8.6720 9.2380 9.2380 9.5274 9.5274 10.7029 10.7029 11.0939 11.0939 13.1597 13.1597 22.3980 22.3980 24.5103 24.5103 k = 0.5000 0.5000 0.1639 ( 2052 PWs) bands (ev): 4.1983 4.1983 4.2178 4.2178 4.3557 4.3557 4.6232 4.6232 5.3596 5.3596 5.9417 5.9417 6.0161 6.0161 6.2833 6.2833 6.6366 6.6366 6.7295 6.7295 7.0382 7.0382 8.3364 8.3364 8.4422 8.4422 8.7202 8.7202 9.3000 9.3000 9.5806 9.5806 10.7267 10.7267 11.1157 11.1157 13.1765 13.1765 22.4351 22.4351 24.3924 24.3924 k = 0.5000 0.5000 0.1788 ( 2048 PWs) bands (ev): 4.2223 4.2223 4.2429 4.2429 4.3501 4.3501 4.6232 4.6232 5.3486 5.3486 5.9105 5.9105 6.0068 6.0068 6.2720 6.2720 6.5932 6.5932 6.7627 6.7627 7.0561 7.0561 8.3271 8.3271 8.4410 8.4410 8.7704 8.7704 9.3649 9.3649 9.6367 9.6367 10.7525 10.7525 11.1391 11.1391 13.1949 13.1949 22.4713 22.4713 24.2517 24.2517 k = 0.5000 0.5000 0.1937 ( 2048 PWs) bands (ev): 4.2460 4.2460 4.2658 4.2658 4.3470 4.3470 4.6230 4.6230 5.3393 5.3393 5.8796 5.8796 5.9978 5.9978 6.2592 6.2592 6.5512 6.5512 6.7842 6.7842 7.0892 7.0892 8.3178 8.3178 8.4408 8.4408 8.8222 8.8222 9.4321 9.4321 9.6954 9.6954 10.7802 10.7802 11.1640 11.1640 13.2147 13.2147 22.5038 22.5038 24.0888 24.0888 k = 0.5000 0.5000 0.2086 ( 2048 PWs) bands (ev): 4.2688 4.2688 4.2818 4.2818 4.3506 4.3506 4.6224 4.6224 5.3324 5.3324 5.8493 5.8493 5.9895 5.9895 6.2438 6.2438 6.5121 6.5121 6.7936 6.7936 7.1380 7.1380 8.3087 8.3087 8.4418 8.4418 8.8753 8.8753 9.5015 9.5015 9.7564 9.7564 10.8098 10.8098 11.1903 11.1903 13.2362 13.2362 22.5290 22.5290 23.9054 23.9054 k = 0.5000 0.5000 0.2235 ( 2048 PWs) bands (ev): 4.2865 4.2865 4.2899 4.2899 4.3650 4.3650 4.6214 4.6214 5.3283 5.3283 5.8198 5.8198 5.9825 5.9825 6.2246 6.2246 6.4775 6.4775 6.7936 6.7936 7.2002 7.2002 8.3001 8.3001 8.4439 8.4439 8.9296 8.9296 9.5727 9.5727 9.8194 9.8194 10.8411 10.8411 11.2180 11.2180 13.2591 13.2591 22.5408 22.5408 23.7044 23.7044 k = 0.5000 0.5000 0.2384 ( 2060 PWs) bands (ev): 4.2824 4.2824 4.3086 4.3086 4.3871 4.3871 4.6201 4.6201 5.3274 5.3274 5.7917 5.7917 5.9775 5.9775 6.2002 6.2002 6.4488 6.4488 6.7871 6.7871 7.2728 7.2728 8.2921 8.2921 8.4472 8.4472 8.9847 8.9847 9.6454 9.6454 9.8840 9.8840 10.8741 10.8741 11.2468 11.2468 13.2835 13.2835 22.5305 22.5305 23.4889 23.4889 k = 0.5000 0.5000 0.2533 ( 2060 PWs) bands (ev): 4.2739 4.2739 4.3241 4.3241 4.4119 4.4119 4.6185 4.6185 5.3297 5.3297 5.7656 5.7656 5.9750 5.9750 6.1700 6.1700 6.4270 6.4270 6.7766 6.7766 7.3535 7.3535 8.2849 8.2849 8.4518 8.4518 9.0404 9.0404 9.7194 9.7194 9.9500 9.9500 10.9088 10.9088 11.2768 11.2768 13.3094 13.3094 22.4868 22.4868 23.2617 23.2617 k = 0.5000 0.5000 0.2682 ( 2060 PWs) bands (ev): 4.2632 4.2632 4.3355 4.3355 4.4368 4.4368 4.6169 4.6169 5.3350 5.3350 5.7425 5.7425 5.9756 5.9756 6.1342 6.1342 6.4119 6.4119 6.7637 6.7637 7.4408 7.4408 8.2785 8.2785 8.4576 8.4576 9.0966 9.0966 9.7944 9.7944 10.0172 10.0172 10.9450 10.9450 11.3078 11.3078 13.3368 13.3368 22.3991 22.3991 23.0254 23.0254 k = 0.5000 0.5000 0.2831 ( 2056 PWs) bands (ev): 4.2513 4.2513 4.3424 4.3424 4.4604 4.4604 4.6155 4.6155 5.3424 5.3424 5.7237 5.7237 5.9798 5.9798 6.0940 6.0940 6.4026 6.4026 6.7495 6.7495 7.5338 7.5338 8.2734 8.2734 8.4648 8.4648 9.1530 9.1530 9.8702 9.8702 10.0853 10.0853 10.9828 10.9828 11.3397 11.3397 13.3655 13.3655 22.2644 22.2644 22.7820 22.7820 k = 0.5000 0.5000 0.2980 ( 2056 PWs) bands (ev): 4.2384 4.2384 4.3443 4.3443 4.4819 4.4819 4.6145 4.6145 5.3502 5.3502 5.7107 5.7107 5.9880 5.9880 6.0507 6.0507 6.3980 6.3980 6.7346 6.7346 7.6320 7.6320 8.2695 8.2695 8.4734 8.4734 9.2096 9.2096 9.9465 9.9465 10.1541 10.1541 11.0220 11.0220 11.3725 11.3725 13.3957 13.3957 22.0892 22.0892 22.5332 22.5332 k = 0.5000 0.5000 0.3129 ( 2056 PWs) bands (ev): 4.2247 4.2247 4.3411 4.3411 4.5006 4.5006 4.6141 4.6141 5.3562 5.3562 5.7056 5.7056 5.9979 5.9979 6.0080 6.0080 6.3971 6.3971 6.7196 6.7196 7.7348 7.7348 8.2672 8.2672 8.4837 8.4837 9.2661 9.2661 10.0232 10.0232 10.2235 10.2235 11.0626 11.0626 11.4061 11.4061 13.4273 13.4273 21.8847 21.8847 22.2803 22.2803 k = 0.5000 0.5000 0.3278 ( 2056 PWs) bands (ev): 4.2105 4.2105 4.3330 4.3330 4.5162 4.5162 4.6143 4.6143 5.3582 5.3582 5.7104 5.7104 5.9577 5.9577 6.0186 6.0186 6.3993 6.3993 6.7050 6.7050 7.8419 7.8419 8.2666 8.2666 8.4956 8.4956 9.3224 9.3224 10.0999 10.0999 10.2931 10.2931 11.1046 11.1046 11.4405 11.4405 13.4602 13.4602 21.6606 21.6606 22.0245 22.0245 k = 0.5000 0.5000 0.3427 ( 2056 PWs) bands (ev): 4.1958 4.1958 4.3202 4.3202 4.5282 4.5282 4.6152 4.6152 5.3546 5.3546 5.7258 5.7258 5.9106 5.9106 6.0399 6.0399 6.4042 6.4042 6.6913 6.6913 7.9528 7.9528 8.2680 8.2680 8.5095 8.5095 9.3784 9.3784 10.1766 10.1766 10.3628 10.3628 11.1478 11.1478 11.4754 11.4754 13.4944 13.4944 21.4239 21.4239 21.7667 21.7667 k = 0.5000 0.5000 0.3576 ( 2056 PWs) bands (ev): 4.1807 4.1807 4.3036 4.3036 4.5367 4.5367 4.6165 4.6165 5.3452 5.3452 5.7514 5.7514 5.8633 5.8633 6.0654 6.0654 6.4116 6.4116 6.6789 6.6789 8.0672 8.0672 8.2715 8.2715 8.5258 8.5258 9.4340 9.4340 10.2530 10.2530 10.4326 10.4326 11.1923 11.1923 11.5110 11.5110 13.5298 13.5298 21.1791 21.1791 21.5074 21.5074 k = 0.5000 0.5000 0.3725 ( 2064 PWs) bands (ev): 4.1653 4.1653 4.2836 4.2836 4.5416 4.5416 4.6181 4.6181 5.3308 5.3308 5.7853 5.7853 5.8163 5.8163 6.0944 6.0944 6.4215 6.4215 6.6683 6.6683 8.1842 8.1842 8.2776 8.2776 8.5452 8.5452 9.4890 9.4890 10.3290 10.3290 10.5021 10.5021 11.2379 11.2379 11.5471 11.5471 13.5665 13.5665 20.9290 20.9290 21.2474 21.2474 k = 0.5000 0.5000 0.3874 ( 2040 PWs) bands (ev): 4.1496 4.1496 4.2609 4.2609 4.5431 4.5431 4.6198 4.6198 5.3125 5.3125 5.7697 5.7697 5.8254 5.8254 6.1258 6.1258 6.4343 6.4343 6.6601 6.6601 8.2863 8.2863 8.3020 8.3020 8.5694 8.5694 9.5433 9.5433 10.4045 10.4045 10.5712 10.5712 11.2846 11.2846 11.5838 11.5838 13.6044 13.6044 20.6758 20.6758 20.9874 20.9874 k = 0.5000 0.5000 0.4022 ( 2040 PWs) bands (ev): 4.1336 4.1336 4.2362 4.2362 4.5413 4.5413 4.6215 4.6215 5.2917 5.2917 5.7239 5.7239 5.8691 5.8691 6.1586 6.1586 6.4503 6.4503 6.6550 6.6550 8.2981 8.2981 8.4158 8.4158 8.6032 8.6032 9.5968 9.5968 10.4793 10.4793 10.6398 10.6398 11.3323 11.3323 11.6209 11.6209 13.6434 13.6434 20.4206 20.4206 20.7274 20.7274 k = 0.5000 0.5000 0.4171 ( 2040 PWs) bands (ev): 4.1176 4.1176 4.2099 4.2099 4.5367 4.5367 4.6231 4.6231 5.2692 5.2692 5.6790 5.6790 5.9143 5.9143 6.1913 6.1913 6.4701 6.4701 6.6538 6.6538 8.3131 8.3131 8.5115 8.5115 8.6605 8.6605 9.6495 9.6495 10.5534 10.5534 10.7077 10.7077 11.3809 11.3809 11.6584 11.6584 13.6834 13.6834 20.1645 20.1645 20.4682 20.4682 k = 0.5000 0.5000 0.4320 ( 2040 PWs) bands (ev): 4.1014 4.1014 4.1825 4.1825 4.5295 4.5295 4.6246 4.6246 5.2456 5.2456 5.6352 5.6352 5.9587 5.9587 6.2227 6.2227 6.4943 6.4943 6.6574 6.6574 8.3316 8.3316 8.5737 8.5737 8.7569 8.7569 9.7011 9.7011 10.6266 10.6266 10.7748 10.7748 11.4303 11.4303 11.6964 11.6964 13.7245 13.7245 19.9083 19.9083 20.2100 20.2100 k = 0.5000 0.5000 0.4469 ( 2044 PWs) bands (ev): 4.0852 4.0852 4.1544 4.1544 4.5201 4.5201 4.6258 4.6258 5.2217 5.2217 5.5924 5.5924 6.0004 6.0004 6.2514 6.2514 6.5230 6.5230 6.6667 6.6667 8.3540 8.3540 8.6152 8.6152 8.8793 8.8793 9.7517 9.7517 10.6989 10.6989 10.8409 10.8409 11.4804 11.4804 11.7348 11.7348 13.7664 13.7664 19.6525 19.6525 19.9531 19.9531 k = 0.5000 0.5000 0.4618 ( 2044 PWs) bands (ev): 4.0691 4.0691 4.1259 4.1259 4.5089 4.5089 4.6268 4.6268 5.1976 5.1976 5.5510 5.5510 6.0378 6.0378 6.2768 6.2768 6.5562 6.5562 6.6824 6.6824 8.3805 8.3805 8.6509 8.6509 9.0128 9.0128 9.8011 9.8011 10.7704 10.7704 10.9059 10.9059 11.5311 11.5311 11.7736 11.7736 13.8092 13.8092 19.3979 19.3979 19.6980 19.6980 k = 0.5000 0.5000 0.4767 ( 2044 PWs) bands (ev): 4.0530 4.0530 4.0973 4.0973 4.4962 4.4962 4.6275 4.6275 5.1737 5.1737 5.5108 5.5108 6.0695 6.0695 6.2988 6.2988 6.5932 6.5932 6.7049 6.7049 8.4112 8.4112 8.6860 8.6860 9.1521 9.1521 9.8494 9.8494 10.8409 10.8409 10.9696 10.9696 11.5821 11.5821 11.8129 11.8129 13.8528 13.8528 19.1447 19.1447 19.4450 19.4450 k = 0.5000 0.5000 0.4916 ( 2044 PWs) bands (ev): 4.0371 4.0371 4.0688 4.0688 4.4824 4.4824 4.6280 4.6280 5.1502 5.1502 5.4721 5.4721 6.0950 6.0950 6.3175 6.3175 6.6328 6.6328 6.7342 6.7342 8.4463 8.4463 8.7224 8.7224 9.2951 9.2951 9.8963 9.8963 10.9106 10.9106 11.0319 11.0319 11.6333 11.6333 11.8526 11.8526 13.8970 13.8970 18.8934 18.8934 19.1944 19.1944 k = 0.5000 0.5000 0.5065 ( 2032 PWs) bands (ev): 4.0215 4.0215 4.0407 4.0407 4.4678 4.4678 4.6281 4.6281 5.1272 5.1272 5.4349 5.4349 6.1142 6.1142 6.3336 6.3336 6.6738 6.6738 6.7697 6.7697 8.4859 8.4859 8.7607 8.7607 9.4409 9.4409 9.9418 9.9418 10.9796 10.9796 11.0927 11.0927 11.6845 11.6845 11.8927 11.8927 13.9418 13.9418 18.6445 18.6445 18.9467 18.9467 k = 0.5000 0.5000 0.5214 ( 2032 PWs) bands (ev): 4.0061 4.0061 4.0132 4.0132 4.4526 4.4526 4.6280 4.6280 5.1050 5.1050 5.3991 5.3991 6.1278 6.1278 6.3475 6.3475 6.7150 6.7150 6.8100 6.8100 8.5299 8.5299 8.8013 8.8013 9.5889 9.5889 9.9859 9.9859 11.0478 11.0478 11.1518 11.1518 11.7356 11.7356 11.9333 11.9333 13.9870 13.9870 18.3983 18.3983 18.7020 18.7020 k = 0.5000 0.5000 0.5363 ( 2040 PWs) bands (ev): 3.9863 3.9863 3.9911 3.9911 4.4371 4.4371 4.6277 4.6277 5.0835 5.0835 5.3650 5.3650 6.1365 6.1365 6.3597 6.3597 6.7555 6.7555 6.8539 6.8539 8.5782 8.5782 8.8442 8.8442 9.7385 9.7385 10.0285 10.0285 11.1154 11.1154 11.2091 11.2091 11.7863 11.7863 11.9744 11.9744 14.0325 14.0325 18.1552 18.1552 18.4609 18.4609 k = 0.5000 0.5000 0.5512 ( 2048 PWs) bands (ev): 3.9604 3.9604 3.9764 3.9764 4.4215 4.4215 4.6271 4.6271 5.0630 5.0630 5.3324 5.3324 6.1413 6.1413 6.3704 6.3704 6.7944 6.7944 6.8998 6.8998 8.6305 8.6305 8.8895 8.8895 9.8892 9.8892 10.0696 10.0696 11.1825 11.1825 11.2645 11.2645 11.8363 11.8363 12.0161 12.0161 14.0782 14.0782 17.9157 17.9157 18.2236 18.2236 k = 0.5000 0.5000 0.5661 ( 2032 PWs) bands (ev): 3.9353 3.9353 3.9623 3.9623 4.4061 4.4061 4.6262 4.6262 5.0434 5.0434 5.3016 5.3016 6.1431 6.1431 6.3801 6.3801 6.8312 6.8312 6.9464 6.9464 8.6864 8.6864 8.9369 8.9369 10.0406 10.0406 10.1090 10.1090 11.2492 11.2492 11.3179 11.3179 11.8856 11.8856 12.0583 12.0583 14.1238 14.1238 17.6804 17.6804 17.9909 17.9909 k = 0.5000 0.5000 0.5810 ( 2032 PWs) bands (ev): 3.9114 3.9114 3.9487 3.9487 4.3909 4.3909 4.6252 4.6252 5.0249 5.0249 5.2724 5.2724 6.1427 6.1427 6.3889 6.3889 6.8655 6.8655 6.9926 6.9926 8.7452 8.7452 8.9862 8.9862 10.1469 10.1469 10.1921 10.1921 11.3155 11.3155 11.3690 11.3690 11.9339 11.9339 12.1012 12.1012 14.1694 14.1694 17.4497 17.4497 17.7630 17.7630 k = 0.5000 0.5000 0.5959 ( 2040 PWs) bands (ev): 3.8886 3.8886 3.9356 3.9356 4.3762 4.3762 4.6239 4.6239 5.0074 5.0074 5.2450 5.2450 6.1408 6.1408 6.3968 6.3968 6.8971 6.8971 7.0375 7.0375 8.8062 8.8062 9.0369 9.0369 10.1830 10.1830 10.3430 10.3430 11.3815 11.3815 11.4178 11.4178 11.9809 11.9809 12.1446 12.1446 14.2146 14.2146 17.2241 17.2241 17.5406 17.5406 k = 0.5000 0.5000 0.6108 ( 2040 PWs) bands (ev): 3.8671 3.8671 3.9233 3.9233 4.3620 4.3620 4.6226 4.6226 4.9911 4.9911 5.2193 5.2193 6.1377 6.1377 6.4040 6.4040 6.9258 6.9258 7.0803 7.0803 8.8688 8.8688 9.0885 9.0885 10.2173 10.2173 10.4927 10.4927 11.4471 11.4471 11.4642 11.4642 12.0266 12.0266 12.1887 12.1887 14.2592 14.2592 17.0043 17.0043 17.3242 17.3242 k = 0.5000 0.5000 0.6257 ( 2040 PWs) bands (ev): 3.8469 3.8469 3.9116 3.9116 4.3485 4.3485 4.6210 4.6210 4.9759 4.9759 5.1954 5.1954 6.1340 6.1340 6.4106 6.4106 6.9516 6.9516 7.1206 7.1206 8.9319 8.9319 9.1405 9.1405 10.2498 10.2498 10.6406 10.6406 11.5079 11.5079 11.5120 11.5120 12.0707 12.0707 12.2333 12.2333 14.3032 14.3032 16.7912 16.7912 17.1146 17.1146 k = 0.5000 0.5000 0.6406 ( 2060 PWs) bands (ev): 3.8281 3.8281 3.9006 3.9006 4.3357 4.3357 4.6194 4.6194 4.9619 4.9619 5.1734 5.1734 6.1299 6.1299 6.4167 6.4167 6.9746 6.9746 7.1580 7.1580 8.9946 8.9946 9.1921 9.1921 10.2804 10.2804 10.7856 10.7856 11.5489 11.5489 11.5761 11.5761 12.1132 12.1132 12.2784 12.2784 14.3464 14.3464 16.5855 16.5855 16.9124 16.9124 k = 0.5000 0.5000 0.6555 ( 2060 PWs) bands (ev): 3.8108 3.8108 3.8904 3.8904 4.3239 4.3239 4.6178 4.6178 4.9491 4.9491 5.1532 5.1532 6.1256 6.1256 6.4221 6.4221 6.9950 6.9950 7.1921 7.1921 9.0559 9.0559 9.2426 9.2426 10.3091 10.3091 10.9268 10.9268 11.5871 11.5871 11.6387 11.6387 12.1539 12.1539 12.3237 12.3237 14.3884 14.3884 16.3882 16.3882 16.7188 16.7188 k = 0.5000 0.5000 0.6704 ( 2064 PWs) bands (ev): 3.7950 3.7950 3.8811 3.8811 4.3129 4.3129 4.6161 4.6161 4.9376 4.9376 5.1348 5.1348 6.1214 6.1214 6.4270 6.4270 7.0129 7.0129 7.2230 7.2230 9.1149 9.1149 9.2913 9.2913 10.3356 10.3356 11.0632 11.0632 11.6222 11.6222 11.6993 11.6993 12.1928 12.1928 12.3689 12.3689 14.4293 14.4293 16.2006 16.2006 16.5346 16.5346 k = 0.5000 0.5000 0.6853 ( 2064 PWs) bands (ev): 3.7807 3.7807 3.8726 3.8726 4.3030 4.3030 4.6145 4.6145 4.9273 4.9273 5.1184 5.1184 6.1174 6.1174 6.4314 6.4314 7.0283 7.0283 7.2504 7.2504 9.1705 9.1705 9.3372 9.3372 10.3600 10.3600 11.1934 11.1934 11.6541 11.6541 11.7568 11.7568 12.2298 12.2298 12.4135 12.4135 14.4686 14.4686 16.0241 16.0241 16.3610 16.3610 k = 0.5000 0.5000 0.7002 ( 2064 PWs) bands (ev): 3.7680 3.7680 3.8650 3.8650 4.2941 4.2941 4.6129 4.6129 4.9182 4.9182 5.1038 5.1038 6.1136 6.1136 6.4352 6.4352 7.0415 7.0415 7.2745 7.2745 9.2219 9.2219 9.3798 9.3798 10.3820 10.3820 11.3161 11.3161 11.6826 11.6826 11.8102 11.8102 12.2648 12.2648 12.4569 12.4569 14.5063 14.5063 15.8603 15.8603 16.1995 16.1995 k = 0.5000 0.5000 0.7151 ( 2072 PWs) bands (ev): 3.7570 3.7570 3.8584 3.8584 4.2863 4.2863 4.6115 4.6115 4.9103 4.9103 5.0912 5.0912 6.1102 6.1102 6.4386 6.4386 7.0527 7.0527 7.2952 7.2952 9.2682 9.2682 9.4182 9.4182 10.4016 10.4016 11.4296 11.4296 11.7077 11.7077 11.8580 11.8580 12.2977 12.2977 12.4983 12.4983 14.5420 14.5420 15.7111 15.7111 16.0517 16.0517 k = 0.5000 0.5000 0.7300 ( 2064 PWs) bands (ev): 3.7476 3.7476 3.8528 3.8528 4.2797 4.2797 4.6102 4.6102 4.9037 4.9037 5.0805 5.0805 6.1072 6.1072 6.4414 6.4414 7.0619 7.0619 7.3126 7.3126 9.3086 9.3086 9.4518 9.4518 10.4185 10.4185 11.5322 11.5322 11.7291 11.7291 11.8990 11.8990 12.3281 12.3281 12.5365 12.5365 14.5754 14.5754 15.5786 15.5786 15.9195 15.9195 k = 0.5000 0.5000 0.7449 ( 2056 PWs) bands (ev): 3.7399 3.7399 3.8481 3.8481 4.2742 4.2742 4.6090 4.6090 4.8983 4.8983 5.0717 5.0717 6.1048 6.1048 6.4437 6.4437 7.0692 7.0692 7.3267 7.3267 9.3426 9.3426 9.4801 9.4801 10.4327 10.4327 11.6220 11.6220 11.7469 11.7469 11.9320 11.9320 12.3554 12.3554 12.5704 12.5704 14.6057 14.6057 15.4653 15.4653 15.8051 15.8051 k = 0.5000 0.5000 0.7598 ( 2056 PWs) bands (ev): 3.7338 3.7338 3.8445 3.8445 4.2699 4.2699 4.6081 4.6081 4.8941 4.8941 5.0649 5.0649 6.1028 6.1028 6.4455 6.4455 7.0749 7.0749 7.3376 7.3376 9.3695 9.3695 9.5026 9.5026 10.4439 10.4439 11.6966 11.6966 11.7608 11.7608 11.9563 11.9563 12.3785 12.3785 12.5986 12.5986 14.6319 14.6319 15.3736 15.3736 15.7113 15.7113 k = 0.5000 0.5000 0.7747 ( 2080 PWs) bands (ev): 3.7295 3.7295 3.8419 3.8419 4.2668 4.2668 4.6075 4.6075 4.8910 4.8910 5.0600 5.0600 6.1014 6.1014 6.4468 6.4468 7.0788 7.0788 7.3454 7.3454 9.3890 9.3890 9.5189 9.5189 10.4520 10.4520 11.7536 11.7536 11.7707 11.7707 11.9718 11.9718 12.3963 12.3963 12.6199 12.6199 14.6526 14.6526 15.3059 15.3059 15.6410 15.6410 k = 0.5000 0.5000 0.7896 ( 2080 PWs) bands (ev): 3.7269 3.7269 3.8403 3.8403 4.2650 4.2650 4.6071 4.6071 4.8892 4.8892 5.0570 5.0570 6.1005 6.1005 6.4476 6.4476 7.0812 7.0812 7.3500 7.3500 9.4008 9.4008 9.5288 9.5288 10.4569 10.4569 11.7767 11.7767 11.7900 11.7900 11.9797 11.9797 12.4076 12.4076 12.6332 12.6332 14.6660 14.6660 15.2644 15.2644 15.5972 15.5972 k = 0.5000 0.5000 0.8045 ( 2080 PWs) bands (ev): 3.7260 3.7260 3.8398 3.8398 4.2643 4.2643 4.6069 4.6069 4.8886 4.8886 5.0561 5.0561 6.1002 6.1002 6.4478 6.4478 7.0820 7.0820 7.3515 7.3515 9.4048 9.4048 9.5322 9.5322 10.4585 10.4585 11.7787 11.7787 11.8026 11.8026 11.9820 11.9820 12.4115 12.4115 12.6377 12.6377 14.6707 14.6707 15.2503 15.2503 15.5823 15.5823 Writing output data file Hg2Pt.save init_run : 0.24s CPU 0.38s WALL ( 1 calls) electrons : 158.00s CPU 161.05s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 158.00s CPU 161.04s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.06s CPU 0.09s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.04s WALL ( 403 calls) cegterg : 149.49s CPU 152.05s WALL ( 794 calls) Called by sum_band: Called by *egterg: h_psi : 75.31s CPU 77.18s WALL ( 12836 calls) s_psi : 4.55s CPU 4.76s WALL ( 12836 calls) g_psi : 0.25s CPU 0.20s WALL ( 11639 calls) cdiaghg : 62.09s CPU 62.84s WALL ( 12042 calls) cegterg:over : 5.04s CPU 5.21s WALL ( 11639 calls) cegterg:upda : 3.50s CPU 3.45s WALL ( 11639 calls) cegterg:last : 2.44s CPU 2.34s WALL ( 2406 calls) cdiaghg:chol : 3.42s CPU 3.27s WALL ( 12042 calls) cdiaghg:inve : 1.84s CPU 1.89s WALL ( 12042 calls) cdiaghg:para : 3.39s CPU 3.55s WALL ( 24084 calls) Called by h_psi: h_psi:vloc : 65.05s CPU 66.69s WALL ( 12836 calls) h_psi:vnl : 10.14s CPU 10.34s WALL ( 12836 calls) add_vuspsi : 5.62s CPU 5.72s WALL ( 12836 calls) General routines calbec : 4.49s CPU 4.58s WALL ( 12836 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 59.00s CPU 60.39s WALL ( 1231588 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.10s CPU 0.13s WALL ( 806 calls) Parallel routines fft_scatter : 28.09s CPU 28.94s WALL ( 1231611 calls) PWSCF : 2m49.90s CPU 3m 3.45s WALL This run was terminated on: 19: 0:40 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=