Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:46:25 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: ./HfCd.save/ file Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4D 4D 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 48 14 4 4280 696 118 Max 49 15 5 4297 711 129 Sum 1757 517 161 154463 25365 4353 bravais-lattice index = 14 lattice parameter (alat) = 5.8770 a.u. unit-cell volume = 565.8957 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 48.0000 Ry charge density cutoff = 639.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.877048 celldm(2)= 1.000000 celldm(3)= 2.787781 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 2.787781 ) 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 0.358708 ) PseudoPot. # 1 for Hf read from file: /users/gautes/Pseudo/Hf.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: fb4a78a955dff820df95c575f14a6778 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 1271 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 Cd read from file: /users/gautes/Pseudo/Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1d41bce1441572f114805845d9d822b0 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 1239 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 Hf 12.00 178.49000 Hf( 1.00) Cd 12.00 112.41100 Cd( 1.00) 16 Sym. Ops., with inversion, found (12 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) 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 ) f =( 0.5000000 ) ( -1 0 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) f =( 0.5000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) f =( 0.5000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) f =( 0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( -0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) 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 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(10) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 11 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(11) = ( 1.0000000 -0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 12 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(12) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(12) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) 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 ) f =( 0.5000000 ) ( 1 0 0 ) ( -0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(14) = ( 0.0000000 1.0000000 -0.0000000 ) f =( 0.5000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 15 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(15) = ( 0 1 0 ) f =( 0.5000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(15) = ( 0.0000000 -1.0000000 -0.0000000 ) f =( 0.5000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 16 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(16) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(16) = ( -0.0000000 1.0000000 -0.0000000 ) f =( 0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) 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= 414 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024155 k( 2) = ( 0.0000000 0.0098039 -0.0000000), wk = 0.0024155 k( 3) = ( 0.0000000 0.0196078 -0.0000000), wk = 0.0024155 k( 4) = ( 0.0000000 0.0294118 -0.0000000), wk = 0.0024155 k( 5) = ( 0.0000000 0.0392157 -0.0000000), wk = 0.0024155 k( 6) = ( 0.0000000 0.0490196 -0.0000000), wk = 0.0024155 k( 7) = ( 0.0000000 0.0588235 -0.0000000), wk = 0.0024155 k( 8) = ( 0.0000000 0.0686275 -0.0000000), wk = 0.0024155 k( 9) = ( 0.0000000 0.0784314 -0.0000000), wk = 0.0024155 k( 10) = ( 0.0000000 0.0882353 -0.0000000), wk = 0.0024155 k( 11) = ( 0.0000000 0.0980392 -0.0000000), wk = 0.0024155 k( 12) = ( 0.0000000 0.1078431 -0.0000000), wk = 0.0024155 k( 13) = ( 0.0000000 0.1176471 -0.0000000), wk = 0.0024155 k( 14) = ( 0.0000000 0.1274510 -0.0000000), wk = 0.0024155 k( 15) = ( 0.0000000 0.1372549 -0.0000000), wk = 0.0024155 k( 16) = ( 0.0000000 0.1470588 -0.0000000), wk = 0.0024155 k( 17) = ( 0.0000000 0.1568627 -0.0000000), wk = 0.0024155 k( 18) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0024155 k( 19) = ( 0.0000000 0.1764706 -0.0000000), wk = 0.0024155 k( 20) = ( 0.0000000 0.1862745 -0.0000000), wk = 0.0024155 k( 21) = ( 0.0000000 0.1960784 -0.0000000), wk = 0.0024155 k( 22) = ( 0.0000000 0.2058823 -0.0000000), wk = 0.0024155 k( 23) = ( 0.0000000 0.2156863 -0.0000000), wk = 0.0024155 k( 24) = ( 0.0000000 0.2254902 -0.0000000), wk = 0.0024155 k( 25) = ( 0.0000000 0.2352941 -0.0000000), wk = 0.0024155 k( 26) = ( 0.0000000 0.2450980 -0.0000000), wk = 0.0024155 k( 27) = ( 0.0000000 0.2549020 -0.0000000), wk = 0.0024155 k( 28) = ( 0.0000000 0.2647059 -0.0000000), wk = 0.0024155 k( 29) = ( 0.0000000 0.2745098 -0.0000000), wk = 0.0024155 k( 30) = ( 0.0000000 0.2843137 -0.0000000), wk = 0.0024155 k( 31) = ( 0.0000000 0.2941177 -0.0000000), wk = 0.0024155 k( 32) = ( 0.0000000 0.3039216 -0.0000000), wk = 0.0024155 k( 33) = ( 0.0000000 0.3137255 -0.0000000), wk = 0.0024155 k( 34) = ( 0.0000000 0.3235294 -0.0000000), wk = 0.0024155 k( 35) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0024155 k( 36) = ( 0.0000000 0.3431373 -0.0000000), wk = 0.0024155 k( 37) = ( 0.0000000 0.3529412 -0.0000000), wk = 0.0024155 k( 38) = ( 0.0000000 0.3627451 -0.0000000), wk = 0.0024155 k( 39) = ( 0.0000000 0.3725490 -0.0000000), wk = 0.0024155 k( 40) = ( 0.0000000 0.3823529 -0.0000000), wk = 0.0024155 k( 41) = ( 0.0000000 0.3921569 -0.0000000), wk = 0.0024155 k( 42) = ( 0.0000000 0.4019608 -0.0000000), wk = 0.0024155 k( 43) = ( 0.0000000 0.4117647 -0.0000000), wk = 0.0024155 k( 44) = ( 0.0000000 0.4215686 -0.0000000), wk = 0.0024155 k( 45) = ( 0.0000000 0.4313726 -0.0000000), wk = 0.0024155 k( 46) = ( 0.0000000 0.4411765 -0.0000000), wk = 0.0024155 k( 47) = ( 0.0000000 0.4509804 -0.0000000), wk = 0.0024155 k( 48) = ( 0.0000000 0.4607843 -0.0000000), wk = 0.0024155 k( 49) = ( 0.0000000 0.4705882 -0.0000000), wk = 0.0024155 k( 50) = ( 0.0000000 0.4803922 -0.0000000), wk = 0.0024155 k( 51) = ( 0.0000000 0.4901961 -0.0000000), wk = 0.0024155 k( 52) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0024155 k( 53) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0024155 k( 54) = ( 0.0098039 0.5000000 -0.0000000), wk = 0.0024155 k( 55) = ( 0.0196078 0.5000000 -0.0000000), wk = 0.0024155 k( 56) = ( 0.0294118 0.5000000 -0.0000000), wk = 0.0024155 k( 57) = ( 0.0392157 0.5000000 -0.0000000), wk = 0.0024155 k( 58) = ( 0.0490196 0.5000000 -0.0000000), wk = 0.0024155 k( 59) = ( 0.0588235 0.5000000 -0.0000000), wk = 0.0024155 k( 60) = ( 0.0686275 0.5000000 -0.0000000), wk = 0.0024155 k( 61) = ( 0.0784314 0.5000000 -0.0000000), wk = 0.0024155 k( 62) = ( 0.0882353 0.5000000 -0.0000000), wk = 0.0024155 k( 63) = ( 0.0980392 0.5000000 -0.0000000), wk = 0.0024155 k( 64) = ( 0.1078431 0.5000000 -0.0000000), wk = 0.0024155 k( 65) = ( 0.1176471 0.5000000 -0.0000000), wk = 0.0024155 k( 66) = ( 0.1274510 0.5000000 -0.0000000), wk = 0.0024155 k( 67) = ( 0.1372549 0.5000000 -0.0000000), wk = 0.0024155 k( 68) = ( 0.1470588 0.5000000 -0.0000000), wk = 0.0024155 k( 69) = ( 0.1568627 0.5000000 -0.0000000), wk = 0.0024155 k( 70) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0024155 k( 71) = ( 0.1764706 0.5000000 -0.0000000), wk = 0.0024155 k( 72) = ( 0.1862745 0.5000000 -0.0000000), wk = 0.0024155 k( 73) = ( 0.1960784 0.5000000 -0.0000000), wk = 0.0024155 k( 74) = ( 0.2058823 0.5000000 -0.0000000), wk = 0.0024155 k( 75) = ( 0.2156863 0.5000000 -0.0000000), wk = 0.0024155 k( 76) = ( 0.2254902 0.5000000 -0.0000000), wk = 0.0024155 k( 77) = ( 0.2352941 0.5000000 -0.0000000), wk = 0.0024155 k( 78) = ( 0.2450980 0.5000000 -0.0000000), wk = 0.0024155 k( 79) = ( 0.2549020 0.5000000 -0.0000000), wk = 0.0024155 k( 80) = ( 0.2647059 0.5000000 -0.0000000), wk = 0.0024155 k( 81) = ( 0.2745098 0.5000000 -0.0000000), wk = 0.0024155 k( 82) = ( 0.2843137 0.5000000 -0.0000000), wk = 0.0024155 k( 83) = ( 0.2941177 0.5000000 -0.0000000), wk = 0.0024155 k( 84) = ( 0.3039216 0.5000000 -0.0000000), wk = 0.0024155 k( 85) = ( 0.3137255 0.5000000 -0.0000000), wk = 0.0024155 k( 86) = ( 0.3235294 0.5000000 -0.0000000), wk = 0.0024155 k( 87) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0024155 k( 88) = ( 0.3431373 0.5000000 -0.0000000), wk = 0.0024155 k( 89) = ( 0.3529412 0.5000000 -0.0000000), wk = 0.0024155 k( 90) = ( 0.3627451 0.5000000 -0.0000000), wk = 0.0024155 k( 91) = ( 0.3725490 0.5000000 -0.0000000), wk = 0.0024155 k( 92) = ( 0.3823529 0.5000000 -0.0000000), wk = 0.0024155 k( 93) = ( 0.3921569 0.5000000 -0.0000000), wk = 0.0024155 k( 94) = ( 0.4019608 0.5000000 -0.0000000), wk = 0.0024155 k( 95) = ( 0.4117647 0.5000000 -0.0000000), wk = 0.0024155 k( 96) = ( 0.4215686 0.5000000 -0.0000000), wk = 0.0024155 k( 97) = ( 0.4313726 0.5000000 -0.0000000), wk = 0.0024155 k( 98) = ( 0.4411765 0.5000000 -0.0000000), wk = 0.0024155 k( 99) = ( 0.4509804 0.5000000 -0.0000000), wk = 0.0024155 k( 100) = ( 0.4607843 0.5000000 -0.0000000), wk = 0.0024155 k( 101) = ( 0.4705882 0.5000000 -0.0000000), wk = 0.0024155 k( 102) = ( 0.4803922 0.5000000 -0.0000000), wk = 0.0024155 k( 103) = ( 0.4901961 0.5000000 -0.0000000), wk = 0.0024155 k( 104) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0024155 k( 105) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0024155 k( 106) = ( 0.4930556 0.4930556 -0.0000000), wk = 0.0024155 k( 107) = ( 0.4861111 0.4861111 -0.0000000), wk = 0.0024155 k( 108) = ( 0.4791667 0.4791667 -0.0000000), wk = 0.0024155 k( 109) = ( 0.4722222 0.4722222 -0.0000000), wk = 0.0024155 k( 110) = ( 0.4652778 0.4652778 -0.0000000), wk = 0.0024155 k( 111) = ( 0.4583333 0.4583333 -0.0000000), wk = 0.0024155 k( 112) = ( 0.4513889 0.4513889 -0.0000000), wk = 0.0024155 k( 113) = ( 0.4444444 0.4444444 -0.0000000), wk = 0.0024155 k( 114) = ( 0.4375000 0.4375000 -0.0000000), wk = 0.0024155 k( 115) = ( 0.4305556 0.4305556 -0.0000000), wk = 0.0024155 k( 116) = ( 0.4236111 0.4236111 -0.0000000), wk = 0.0024155 k( 117) = ( 0.4166667 0.4166667 -0.0000000), wk = 0.0024155 k( 118) = ( 0.4097222 0.4097222 -0.0000000), wk = 0.0024155 k( 119) = ( 0.4027778 0.4027778 -0.0000000), wk = 0.0024155 k( 120) = ( 0.3958333 0.3958333 -0.0000000), wk = 0.0024155 k( 121) = ( 0.3888889 0.3888889 -0.0000000), wk = 0.0024155 k( 122) = ( 0.3819444 0.3819444 -0.0000000), wk = 0.0024155 k( 123) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0024155 k( 124) = ( 0.3680556 0.3680556 -0.0000000), wk = 0.0024155 k( 125) = ( 0.3611111 0.3611111 -0.0000000), wk = 0.0024155 k( 126) = ( 0.3541667 0.3541667 -0.0000000), wk = 0.0024155 k( 127) = ( 0.3472222 0.3472222 -0.0000000), wk = 0.0024155 k( 128) = ( 0.3402778 0.3402778 -0.0000000), wk = 0.0024155 k( 129) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0024155 k( 130) = ( 0.3263889 0.3263889 -0.0000000), wk = 0.0024155 k( 131) = ( 0.3194444 0.3194444 -0.0000000), wk = 0.0024155 k( 132) = ( 0.3125000 0.3125000 -0.0000000), wk = 0.0024155 k( 133) = ( 0.3055556 0.3055556 -0.0000000), wk = 0.0024155 k( 134) = ( 0.2986111 0.2986111 -0.0000000), wk = 0.0024155 k( 135) = ( 0.2916667 0.2916667 -0.0000000), wk = 0.0024155 k( 136) = ( 0.2847222 0.2847222 -0.0000000), wk = 0.0024155 k( 137) = ( 0.2777778 0.2777778 -0.0000000), wk = 0.0024155 k( 138) = ( 0.2708333 0.2708333 -0.0000000), wk = 0.0024155 k( 139) = ( 0.2638889 0.2638889 -0.0000000), wk = 0.0024155 k( 140) = ( 0.2569444 0.2569444 -0.0000000), wk = 0.0024155 k( 141) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0024155 k( 142) = ( 0.2430556 0.2430556 -0.0000000), wk = 0.0024155 k( 143) = ( 0.2361111 0.2361111 -0.0000000), wk = 0.0024155 k( 144) = ( 0.2291667 0.2291667 -0.0000000), wk = 0.0024155 k( 145) = ( 0.2222222 0.2222222 -0.0000000), wk = 0.0024155 k( 146) = ( 0.2152778 0.2152778 -0.0000000), wk = 0.0024155 k( 147) = ( 0.2083333 0.2083333 -0.0000000), wk = 0.0024155 k( 148) = ( 0.2013889 0.2013889 -0.0000000), wk = 0.0024155 k( 149) = ( 0.1944444 0.1944444 -0.0000000), wk = 0.0024155 k( 150) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0024155 k( 151) = ( 0.1805556 0.1805556 -0.0000000), wk = 0.0024155 k( 152) = ( 0.1736111 0.1736111 -0.0000000), wk = 0.0024155 k( 153) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0024155 k( 154) = ( 0.1597222 0.1597222 -0.0000000), wk = 0.0024155 k( 155) = ( 0.1527778 0.1527778 -0.0000000), wk = 0.0024155 k( 156) = ( 0.1458333 0.1458333 -0.0000000), wk = 0.0024155 k( 157) = ( 0.1388889 0.1388889 -0.0000000), wk = 0.0024155 k( 158) = ( 0.1319444 0.1319444 -0.0000000), wk = 0.0024155 k( 159) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0024155 k( 160) = ( 0.1180556 0.1180556 -0.0000000), wk = 0.0024155 k( 161) = ( 0.1111111 0.1111111 -0.0000000), wk = 0.0024155 k( 162) = ( 0.1041667 0.1041667 -0.0000000), wk = 0.0024155 k( 163) = ( 0.0972222 0.0972222 -0.0000000), wk = 0.0024155 k( 164) = ( 0.0902778 0.0902778 -0.0000000), wk = 0.0024155 k( 165) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0024155 k( 166) = ( 0.0763889 0.0763889 -0.0000000), wk = 0.0024155 k( 167) = ( 0.0694444 0.0694444 -0.0000000), wk = 0.0024155 k( 168) = ( 0.0625000 0.0625000 -0.0000000), wk = 0.0024155 k( 169) = ( 0.0555556 0.0555556 -0.0000000), wk = 0.0024155 k( 170) = ( 0.0486111 0.0486111 -0.0000000), wk = 0.0024155 k( 171) = ( 0.0416667 0.0416667 -0.0000000), wk = 0.0024155 k( 172) = ( 0.0347222 0.0347222 -0.0000000), wk = 0.0024155 k( 173) = ( 0.0277778 0.0277778 -0.0000000), wk = 0.0024155 k( 174) = ( 0.0208333 0.0208333 -0.0000000), wk = 0.0024155 k( 175) = ( 0.0138889 0.0138889 -0.0000000), wk = 0.0024155 k( 176) = ( 0.0069444 0.0069444 -0.0000000), wk = 0.0024155 k( 177) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024155 k( 178) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024155 k( 179) = ( 0.0000000 0.0000000 0.0094397), wk = 0.0024155 k( 180) = ( 0.0000000 0.0000000 0.0188794), wk = 0.0024155 k( 181) = ( 0.0000000 0.0000000 0.0283191), wk = 0.0024155 k( 182) = ( 0.0000000 0.0000000 0.0377588), wk = 0.0024155 k( 183) = ( 0.0000000 0.0000000 0.0471984), wk = 0.0024155 k( 184) = ( 0.0000000 0.0000000 0.0566381), wk = 0.0024155 k( 185) = ( 0.0000000 0.0000000 0.0660778), wk = 0.0024155 k( 186) = ( 0.0000000 0.0000000 0.0755175), wk = 0.0024155 k( 187) = ( 0.0000000 0.0000000 0.0849572), wk = 0.0024155 k( 188) = ( 0.0000000 0.0000000 0.0943969), wk = 0.0024155 k( 189) = ( 0.0000000 0.0000000 0.1038366), wk = 0.0024155 k( 190) = ( 0.0000000 0.0000000 0.1132763), wk = 0.0024155 k( 191) = ( 0.0000000 0.0000000 0.1227160), wk = 0.0024155 k( 192) = ( 0.0000000 0.0000000 0.1321556), wk = 0.0024155 k( 193) = ( 0.0000000 0.0000000 0.1415953), wk = 0.0024155 k( 194) = ( 0.0000000 0.0000000 0.1510350), wk = 0.0024155 k( 195) = ( 0.0000000 0.0000000 0.1604747), wk = 0.0024155 k( 196) = ( 0.0000000 0.0000000 0.1699144), wk = 0.0024155 k( 197) = ( 0.0000000 0.0000000 0.1793541), wk = 0.0024155 k( 198) = ( 0.0000000 0.0000000 0.1793541), wk = 0.0024155 k( 199) = ( 0.0000000 0.0098039 0.1793541), wk = 0.0024155 k( 200) = ( 0.0000000 0.0196078 0.1793541), wk = 0.0024155 k( 201) = ( 0.0000000 0.0294118 0.1793541), wk = 0.0024155 k( 202) = ( 0.0000000 0.0392157 0.1793541), wk = 0.0024155 k( 203) = ( 0.0000000 0.0490196 0.1793541), wk = 0.0024155 k( 204) = ( 0.0000000 0.0588235 0.1793541), wk = 0.0024155 k( 205) = ( 0.0000000 0.0686275 0.1793541), wk = 0.0024155 k( 206) = ( 0.0000000 0.0784314 0.1793541), wk = 0.0024155 k( 207) = ( 0.0000000 0.0882353 0.1793541), wk = 0.0024155 k( 208) = ( 0.0000000 0.0980392 0.1793541), wk = 0.0024155 k( 209) = ( 0.0000000 0.1078431 0.1793541), wk = 0.0024155 k( 210) = ( 0.0000000 0.1176471 0.1793541), wk = 0.0024155 k( 211) = ( 0.0000000 0.1274510 0.1793541), wk = 0.0024155 k( 212) = ( 0.0000000 0.1372549 0.1793541), wk = 0.0024155 k( 213) = ( 0.0000000 0.1470588 0.1793541), wk = 0.0024155 k( 214) = ( 0.0000000 0.1568627 0.1793541), wk = 0.0024155 k( 215) = ( 0.0000000 0.1666667 0.1793541), wk = 0.0024155 k( 216) = ( 0.0000000 0.1764706 0.1793541), wk = 0.0024155 k( 217) = ( 0.0000000 0.1862745 0.1793541), wk = 0.0024155 k( 218) = ( 0.0000000 0.1960784 0.1793541), wk = 0.0024155 k( 219) = ( 0.0000000 0.2058823 0.1793541), wk = 0.0024155 k( 220) = ( 0.0000000 0.2156863 0.1793541), wk = 0.0024155 k( 221) = ( 0.0000000 0.2254902 0.1793541), wk = 0.0024155 k( 222) = ( 0.0000000 0.2352941 0.1793541), wk = 0.0024155 k( 223) = ( 0.0000000 0.2450980 0.1793541), wk = 0.0024155 k( 224) = ( 0.0000000 0.2549020 0.1793541), wk = 0.0024155 k( 225) = ( 0.0000000 0.2647059 0.1793541), wk = 0.0024155 k( 226) = ( 0.0000000 0.2745098 0.1793541), wk = 0.0024155 k( 227) = ( 0.0000000 0.2843137 0.1793541), wk = 0.0024155 k( 228) = ( 0.0000000 0.2941177 0.1793541), wk = 0.0024155 k( 229) = ( 0.0000000 0.3039216 0.1793541), wk = 0.0024155 k( 230) = ( 0.0000000 0.3137255 0.1793541), wk = 0.0024155 k( 231) = ( 0.0000000 0.3235294 0.1793541), wk = 0.0024155 k( 232) = ( 0.0000000 0.3333333 0.1793541), wk = 0.0024155 k( 233) = ( 0.0000000 0.3431373 0.1793541), wk = 0.0024155 k( 234) = ( 0.0000000 0.3529412 0.1793541), wk = 0.0024155 k( 235) = ( 0.0000000 0.3627451 0.1793541), wk = 0.0024155 k( 236) = ( 0.0000000 0.3725490 0.1793541), wk = 0.0024155 k( 237) = ( 0.0000000 0.3823529 0.1793541), wk = 0.0024155 k( 238) = ( 0.0000000 0.3921569 0.1793541), wk = 0.0024155 k( 239) = ( 0.0000000 0.4019608 0.1793541), wk = 0.0024155 k( 240) = ( 0.0000000 0.4117647 0.1793541), wk = 0.0024155 k( 241) = ( 0.0000000 0.4215686 0.1793541), wk = 0.0024155 k( 242) = ( 0.0000000 0.4313726 0.1793541), wk = 0.0024155 k( 243) = ( 0.0000000 0.4411765 0.1793541), wk = 0.0024155 k( 244) = ( 0.0000000 0.4509804 0.1793541), wk = 0.0024155 k( 245) = ( 0.0000000 0.4607843 0.1793541), wk = 0.0024155 k( 246) = ( 0.0000000 0.4705882 0.1793541), wk = 0.0024155 k( 247) = ( 0.0000000 0.4803922 0.1793541), wk = 0.0024155 k( 248) = ( 0.0000000 0.4901961 0.1793541), wk = 0.0024155 k( 249) = ( 0.0000000 0.5000000 0.1793541), wk = 0.0024155 k( 250) = ( 0.0000000 0.5000000 0.1793541), wk = 0.0024155 k( 251) = ( 0.0098039 0.5000000 0.1793541), wk = 0.0024155 k( 252) = ( 0.0196078 0.5000000 0.1793541), wk = 0.0024155 k( 253) = ( 0.0294118 0.5000000 0.1793541), wk = 0.0024155 k( 254) = ( 0.0392157 0.5000000 0.1793541), wk = 0.0024155 k( 255) = ( 0.0490196 0.5000000 0.1793541), wk = 0.0024155 k( 256) = ( 0.0588235 0.5000000 0.1793541), wk = 0.0024155 k( 257) = ( 0.0686275 0.5000000 0.1793541), wk = 0.0024155 k( 258) = ( 0.0784314 0.5000000 0.1793541), wk = 0.0024155 k( 259) = ( 0.0882353 0.5000000 0.1793541), wk = 0.0024155 k( 260) = ( 0.0980392 0.5000000 0.1793541), wk = 0.0024155 k( 261) = ( 0.1078431 0.5000000 0.1793541), wk = 0.0024155 k( 262) = ( 0.1176471 0.5000000 0.1793541), wk = 0.0024155 k( 263) = ( 0.1274510 0.5000000 0.1793541), wk = 0.0024155 k( 264) = ( 0.1372549 0.5000000 0.1793541), wk = 0.0024155 k( 265) = ( 0.1470588 0.5000000 0.1793541), wk = 0.0024155 k( 266) = ( 0.1568627 0.5000000 0.1793541), wk = 0.0024155 k( 267) = ( 0.1666667 0.5000000 0.1793541), wk = 0.0024155 k( 268) = ( 0.1764706 0.5000000 0.1793541), wk = 0.0024155 k( 269) = ( 0.1862745 0.5000000 0.1793541), wk = 0.0024155 k( 270) = ( 0.1960784 0.5000000 0.1793541), wk = 0.0024155 k( 271) = ( 0.2058823 0.5000000 0.1793541), wk = 0.0024155 k( 272) = ( 0.2156863 0.5000000 0.1793541), wk = 0.0024155 k( 273) = ( 0.2254902 0.5000000 0.1793541), wk = 0.0024155 k( 274) = ( 0.2352941 0.5000000 0.1793541), wk = 0.0024155 k( 275) = ( 0.2450980 0.5000000 0.1793541), wk = 0.0024155 k( 276) = ( 0.2549020 0.5000000 0.1793541), wk = 0.0024155 k( 277) = ( 0.2647059 0.5000000 0.1793541), wk = 0.0024155 k( 278) = ( 0.2745098 0.5000000 0.1793541), wk = 0.0024155 k( 279) = ( 0.2843137 0.5000000 0.1793541), wk = 0.0024155 k( 280) = ( 0.2941177 0.5000000 0.1793541), wk = 0.0024155 k( 281) = ( 0.3039216 0.5000000 0.1793541), wk = 0.0024155 k( 282) = ( 0.3137255 0.5000000 0.1793541), wk = 0.0024155 k( 283) = ( 0.3235294 0.5000000 0.1793541), wk = 0.0024155 k( 284) = ( 0.3333333 0.5000000 0.1793541), wk = 0.0024155 k( 285) = ( 0.3431373 0.5000000 0.1793541), wk = 0.0024155 k( 286) = ( 0.3529412 0.5000000 0.1793541), wk = 0.0024155 k( 287) = ( 0.3627451 0.5000000 0.1793541), wk = 0.0024155 k( 288) = ( 0.3725490 0.5000000 0.1793541), wk = 0.0024155 k( 289) = ( 0.3823529 0.5000000 0.1793541), wk = 0.0024155 k( 290) = ( 0.3921569 0.5000000 0.1793541), wk = 0.0024155 k( 291) = ( 0.4019608 0.5000000 0.1793541), wk = 0.0024155 k( 292) = ( 0.4117647 0.5000000 0.1793541), wk = 0.0024155 k( 293) = ( 0.4215686 0.5000000 0.1793541), wk = 0.0024155 k( 294) = ( 0.4313726 0.5000000 0.1793541), wk = 0.0024155 k( 295) = ( 0.4411765 0.5000000 0.1793541), wk = 0.0024155 k( 296) = ( 0.4509804 0.5000000 0.1793541), wk = 0.0024155 k( 297) = ( 0.4607843 0.5000000 0.1793541), wk = 0.0024155 k( 298) = ( 0.4705882 0.5000000 0.1793541), wk = 0.0024155 k( 299) = ( 0.4803922 0.5000000 0.1793541), wk = 0.0024155 k( 300) = ( 0.4901961 0.5000000 0.1793541), wk = 0.0024155 k( 301) = ( 0.5000000 0.5000000 0.1793541), wk = 0.0024155 k( 302) = ( 0.5000000 0.5000000 0.1793541), wk = 0.0024155 k( 303) = ( 0.4930556 0.4930556 0.1793541), wk = 0.0024155 k( 304) = ( 0.4861111 0.4861111 0.1793541), wk = 0.0024155 k( 305) = ( 0.4791667 0.4791667 0.1793541), wk = 0.0024155 k( 306) = ( 0.4722222 0.4722222 0.1793541), wk = 0.0024155 k( 307) = ( 0.4652778 0.4652778 0.1793541), wk = 0.0024155 k( 308) = ( 0.4583333 0.4583333 0.1793541), wk = 0.0024155 k( 309) = ( 0.4513889 0.4513889 0.1793541), wk = 0.0024155 k( 310) = ( 0.4444444 0.4444444 0.1793541), wk = 0.0024155 k( 311) = ( 0.4375000 0.4375000 0.1793541), wk = 0.0024155 k( 312) = ( 0.4305556 0.4305556 0.1793541), wk = 0.0024155 k( 313) = ( 0.4236111 0.4236111 0.1793541), wk = 0.0024155 k( 314) = ( 0.4166667 0.4166667 0.1793541), wk = 0.0024155 k( 315) = ( 0.4097222 0.4097222 0.1793541), wk = 0.0024155 k( 316) = ( 0.4027778 0.4027778 0.1793541), wk = 0.0024155 k( 317) = ( 0.3958333 0.3958333 0.1793541), wk = 0.0024155 k( 318) = ( 0.3888889 0.3888889 0.1793541), wk = 0.0024155 k( 319) = ( 0.3819444 0.3819444 0.1793541), wk = 0.0024155 k( 320) = ( 0.3750000 0.3750000 0.1793541), wk = 0.0024155 k( 321) = ( 0.3680556 0.3680556 0.1793541), wk = 0.0024155 k( 322) = ( 0.3611111 0.3611111 0.1793541), wk = 0.0024155 k( 323) = ( 0.3541667 0.3541667 0.1793541), wk = 0.0024155 k( 324) = ( 0.3472222 0.3472222 0.1793541), wk = 0.0024155 k( 325) = ( 0.3402778 0.3402778 0.1793541), wk = 0.0024155 k( 326) = ( 0.3333333 0.3333333 0.1793541), wk = 0.0024155 k( 327) = ( 0.3263889 0.3263889 0.1793541), wk = 0.0024155 k( 328) = ( 0.3194444 0.3194444 0.1793541), wk = 0.0024155 k( 329) = ( 0.3125000 0.3125000 0.1793541), wk = 0.0024155 k( 330) = ( 0.3055556 0.3055556 0.1793541), wk = 0.0024155 k( 331) = ( 0.2986111 0.2986111 0.1793541), wk = 0.0024155 k( 332) = ( 0.2916667 0.2916667 0.1793541), wk = 0.0024155 k( 333) = ( 0.2847222 0.2847222 0.1793541), wk = 0.0024155 k( 334) = ( 0.2777778 0.2777778 0.1793541), wk = 0.0024155 k( 335) = ( 0.2708333 0.2708333 0.1793541), wk = 0.0024155 k( 336) = ( 0.2638889 0.2638889 0.1793541), wk = 0.0024155 k( 337) = ( 0.2569444 0.2569444 0.1793541), wk = 0.0024155 k( 338) = ( 0.2500000 0.2500000 0.1793541), wk = 0.0024155 k( 339) = ( 0.2430556 0.2430556 0.1793541), wk = 0.0024155 k( 340) = ( 0.2361111 0.2361111 0.1793541), wk = 0.0024155 k( 341) = ( 0.2291667 0.2291667 0.1793541), wk = 0.0024155 k( 342) = ( 0.2222222 0.2222222 0.1793541), wk = 0.0024155 k( 343) = ( 0.2152778 0.2152778 0.1793541), wk = 0.0024155 k( 344) = ( 0.2083333 0.2083333 0.1793541), wk = 0.0024155 k( 345) = ( 0.2013889 0.2013889 0.1793541), wk = 0.0024155 k( 346) = ( 0.1944444 0.1944444 0.1793541), wk = 0.0024155 k( 347) = ( 0.1875000 0.1875000 0.1793541), wk = 0.0024155 k( 348) = ( 0.1805556 0.1805556 0.1793541), wk = 0.0024155 k( 349) = ( 0.1736111 0.1736111 0.1793541), wk = 0.0024155 k( 350) = ( 0.1666667 0.1666667 0.1793541), wk = 0.0024155 k( 351) = ( 0.1597222 0.1597222 0.1793541), wk = 0.0024155 k( 352) = ( 0.1527778 0.1527778 0.1793541), wk = 0.0024155 k( 353) = ( 0.1458333 0.1458333 0.1793541), wk = 0.0024155 k( 354) = ( 0.1388889 0.1388889 0.1793541), wk = 0.0024155 k( 355) = ( 0.1319444 0.1319444 0.1793541), wk = 0.0024155 k( 356) = ( 0.1250000 0.1250000 0.1793541), wk = 0.0024155 k( 357) = ( 0.1180556 0.1180556 0.1793541), wk = 0.0024155 k( 358) = ( 0.1111111 0.1111111 0.1793541), wk = 0.0024155 k( 359) = ( 0.1041667 0.1041667 0.1793541), wk = 0.0024155 k( 360) = ( 0.0972222 0.0972222 0.1793541), wk = 0.0024155 k( 361) = ( 0.0902778 0.0902778 0.1793541), wk = 0.0024155 k( 362) = ( 0.0833333 0.0833333 0.1793541), wk = 0.0024155 k( 363) = ( 0.0763889 0.0763889 0.1793541), wk = 0.0024155 k( 364) = ( 0.0694444 0.0694444 0.1793541), wk = 0.0024155 k( 365) = ( 0.0625000 0.0625000 0.1793541), wk = 0.0024155 k( 366) = ( 0.0555556 0.0555556 0.1793541), wk = 0.0024155 k( 367) = ( 0.0486111 0.0486111 0.1793541), wk = 0.0024155 k( 368) = ( 0.0416667 0.0416667 0.1793541), wk = 0.0024155 k( 369) = ( 0.0347222 0.0347222 0.1793541), wk = 0.0024155 k( 370) = ( 0.0277778 0.0277778 0.1793541), wk = 0.0024155 k( 371) = ( 0.0208333 0.0208333 0.1793541), wk = 0.0024155 k( 372) = ( 0.0138889 0.0138889 0.1793541), wk = 0.0024155 k( 373) = ( 0.0069444 0.0069444 0.1793541), wk = 0.0024155 k( 374) = ( 0.0000000 0.0000000 0.1793541), wk = 0.0024155 k( 375) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0024155 k( 376) = ( 0.0000000 0.5000000 0.0094397), wk = 0.0024155 k( 377) = ( 0.0000000 0.5000000 0.0188794), wk = 0.0024155 k( 378) = ( 0.0000000 0.5000000 0.0283191), wk = 0.0024155 k( 379) = ( 0.0000000 0.5000000 0.0377588), wk = 0.0024155 k( 380) = ( 0.0000000 0.5000000 0.0471984), wk = 0.0024155 k( 381) = ( 0.0000000 0.5000000 0.0566381), wk = 0.0024155 k( 382) = ( 0.0000000 0.5000000 0.0660778), wk = 0.0024155 k( 383) = ( 0.0000000 0.5000000 0.0755175), wk = 0.0024155 k( 384) = ( 0.0000000 0.5000000 0.0849572), wk = 0.0024155 k( 385) = ( 0.0000000 0.5000000 0.0943969), wk = 0.0024155 k( 386) = ( 0.0000000 0.5000000 0.1038366), wk = 0.0024155 k( 387) = ( 0.0000000 0.5000000 0.1132763), wk = 0.0024155 k( 388) = ( 0.0000000 0.5000000 0.1227160), wk = 0.0024155 k( 389) = ( 0.0000000 0.5000000 0.1321556), wk = 0.0024155 k( 390) = ( 0.0000000 0.5000000 0.1415953), wk = 0.0024155 k( 391) = ( 0.0000000 0.5000000 0.1510350), wk = 0.0024155 k( 392) = ( 0.0000000 0.5000000 0.1604747), wk = 0.0024155 k( 393) = ( 0.0000000 0.5000000 0.1699144), wk = 0.0024155 k( 394) = ( 0.0000000 0.5000000 0.1793541), wk = 0.0024155 k( 395) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0024155 k( 396) = ( 0.5000000 0.5000000 0.0094397), wk = 0.0024155 k( 397) = ( 0.5000000 0.5000000 0.0188794), wk = 0.0024155 k( 398) = ( 0.5000000 0.5000000 0.0283191), wk = 0.0024155 k( 399) = ( 0.5000000 0.5000000 0.0377588), wk = 0.0024155 k( 400) = ( 0.5000000 0.5000000 0.0471984), wk = 0.0024155 k( 401) = ( 0.5000000 0.5000000 0.0566381), wk = 0.0024155 k( 402) = ( 0.5000000 0.5000000 0.0660778), wk = 0.0024155 k( 403) = ( 0.5000000 0.5000000 0.0755175), wk = 0.0024155 k( 404) = ( 0.5000000 0.5000000 0.0849572), wk = 0.0024155 k( 405) = ( 0.5000000 0.5000000 0.0943969), wk = 0.0024155 k( 406) = ( 0.5000000 0.5000000 0.1038366), wk = 0.0024155 k( 407) = ( 0.5000000 0.5000000 0.1132763), wk = 0.0024155 k( 408) = ( 0.5000000 0.5000000 0.1227160), wk = 0.0024155 k( 409) = ( 0.5000000 0.5000000 0.1321556), wk = 0.0024155 k( 410) = ( 0.5000000 0.5000000 0.1415953), wk = 0.0024155 k( 411) = ( 0.5000000 0.5000000 0.1510350), wk = 0.0024155 k( 412) = ( 0.5000000 0.5000000 0.1604747), wk = 0.0024155 k( 413) = ( 0.5000000 0.5000000 0.1699144), wk = 0.0024155 k( 414) = ( 0.5000000 0.5000000 0.1793541), wk = 0.0024155 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024155 k( 2) = ( 0.0000000 0.0098039 0.0000000), wk = 0.0024155 k( 3) = ( 0.0000000 0.0196078 0.0000000), wk = 0.0024155 k( 4) = ( 0.0000000 0.0294118 -0.0000000), wk = 0.0024155 k( 5) = ( 0.0000000 0.0392157 0.0000000), wk = 0.0024155 k( 6) = ( 0.0000000 0.0490196 0.0000000), wk = 0.0024155 k( 7) = ( 0.0000000 0.0588235 0.0000000), wk = 0.0024155 k( 8) = ( 0.0000000 0.0686275 0.0000000), wk = 0.0024155 k( 9) = ( 0.0000000 0.0784314 0.0000000), wk = 0.0024155 k( 10) = ( 0.0000000 0.0882353 0.0000000), wk = 0.0024155 k( 11) = ( 0.0000000 0.0980392 0.0000000), wk = 0.0024155 k( 12) = ( 0.0000000 0.1078431 0.0000000), wk = 0.0024155 k( 13) = ( 0.0000000 0.1176471 0.0000000), wk = 0.0024155 k( 14) = ( 0.0000000 0.1274510 -0.0000000), wk = 0.0024155 k( 15) = ( 0.0000000 0.1372549 0.0000000), wk = 0.0024155 k( 16) = ( 0.0000000 0.1470588 0.0000000), wk = 0.0024155 k( 17) = ( 0.0000000 0.1568627 -0.0000000), wk = 0.0024155 k( 18) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0024155 k( 19) = ( 0.0000000 0.1764706 0.0000000), wk = 0.0024155 k( 20) = ( 0.0000000 0.1862745 0.0000000), wk = 0.0024155 k( 21) = ( 0.0000000 0.1960784 -0.0000000), wk = 0.0024155 k( 22) = ( 0.0000000 0.2058823 -0.0000000), wk = 0.0024155 k( 23) = ( 0.0000000 0.2156863 -0.0000000), wk = 0.0024155 k( 24) = ( 0.0000000 0.2254902 0.0000000), wk = 0.0024155 k( 25) = ( 0.0000000 0.2352941 0.0000000), wk = 0.0024155 k( 26) = ( 0.0000000 0.2450980 -0.0000000), wk = 0.0024155 k( 27) = ( 0.0000000 0.2549020 -0.0000000), wk = 0.0024155 k( 28) = ( 0.0000000 0.2647059 -0.0000000), wk = 0.0024155 k( 29) = ( 0.0000000 0.2745098 0.0000000), wk = 0.0024155 k( 30) = ( 0.0000000 0.2843137 -0.0000000), wk = 0.0024155 k( 31) = ( 0.0000000 0.2941177 0.0000000), wk = 0.0024155 k( 32) = ( 0.0000000 0.3039216 -0.0000000), wk = 0.0024155 k( 33) = ( 0.0000000 0.3137255 -0.0000000), wk = 0.0024155 k( 34) = ( 0.0000000 0.3235294 -0.0000000), wk = 0.0024155 k( 35) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0024155 k( 36) = ( 0.0000000 0.3431373 -0.0000000), wk = 0.0024155 k( 37) = ( 0.0000000 0.3529412 0.0000000), wk = 0.0024155 k( 38) = ( 0.0000000 0.3627451 0.0000000), wk = 0.0024155 k( 39) = ( 0.0000000 0.3725490 0.0000000), wk = 0.0024155 k( 40) = ( 0.0000000 0.3823529 0.0000000), wk = 0.0024155 k( 41) = ( 0.0000000 0.3921569 -0.0000000), wk = 0.0024155 k( 42) = ( 0.0000000 0.4019608 0.0000000), wk = 0.0024155 k( 43) = ( 0.0000000 0.4117647 -0.0000000), wk = 0.0024155 k( 44) = ( 0.0000000 0.4215686 0.0000000), wk = 0.0024155 k( 45) = ( 0.0000000 0.4313726 0.0000000), wk = 0.0024155 k( 46) = ( 0.0000000 0.4411765 -0.0000000), wk = 0.0024155 k( 47) = ( 0.0000000 0.4509804 -0.0000000), wk = 0.0024155 k( 48) = ( 0.0000000 0.4607843 0.0000000), wk = 0.0024155 k( 49) = ( 0.0000000 0.4705882 0.0000000), wk = 0.0024155 k( 50) = ( 0.0000000 0.4803922 -0.0000000), wk = 0.0024155 k( 51) = ( 0.0000000 0.4901961 -0.0000000), wk = 0.0024155 k( 52) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0024155 k( 53) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0024155 k( 54) = ( 0.0098039 0.5000000 0.0000000), wk = 0.0024155 k( 55) = ( 0.0196078 0.5000000 0.0000000), wk = 0.0024155 k( 56) = ( 0.0294118 0.5000000 0.0000000), wk = 0.0024155 k( 57) = ( 0.0392157 0.5000000 0.0000000), wk = 0.0024155 k( 58) = ( 0.0490196 0.5000000 0.0000000), wk = 0.0024155 k( 59) = ( 0.0588235 0.5000000 0.0000000), wk = 0.0024155 k( 60) = ( 0.0686275 0.5000000 0.0000000), wk = 0.0024155 k( 61) = ( 0.0784314 0.5000000 0.0000000), wk = 0.0024155 k( 62) = ( 0.0882353 0.5000000 0.0000000), wk = 0.0024155 k( 63) = ( 0.0980392 0.5000000 0.0000000), wk = 0.0024155 k( 64) = ( 0.1078431 0.5000000 0.0000000), wk = 0.0024155 k( 65) = ( 0.1176471 0.5000000 -0.0000000), wk = 0.0024155 k( 66) = ( 0.1274510 0.5000000 -0.0000000), wk = 0.0024155 k( 67) = ( 0.1372549 0.5000000 0.0000000), wk = 0.0024155 k( 68) = ( 0.1470588 0.5000000 0.0000000), wk = 0.0024155 k( 69) = ( 0.1568627 0.5000000 -0.0000000), wk = 0.0024155 k( 70) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0024155 k( 71) = ( 0.1764706 0.5000000 -0.0000000), wk = 0.0024155 k( 72) = ( 0.1862745 0.5000000 -0.0000000), wk = 0.0024155 k( 73) = ( 0.1960784 0.5000000 0.0000000), wk = 0.0024155 k( 74) = ( 0.2058823 0.5000000 0.0000000), wk = 0.0024155 k( 75) = ( 0.2156863 0.5000000 0.0000000), wk = 0.0024155 k( 76) = ( 0.2254902 0.5000000 0.0000000), wk = 0.0024155 k( 77) = ( 0.2352941 0.5000000 0.0000000), wk = 0.0024155 k( 78) = ( 0.2450980 0.5000000 0.0000000), wk = 0.0024155 k( 79) = ( 0.2549020 0.5000000 0.0000000), wk = 0.0024155 k( 80) = ( 0.2647059 0.5000000 -0.0000000), wk = 0.0024155 k( 81) = ( 0.2745098 0.5000000 -0.0000000), wk = 0.0024155 k( 82) = ( 0.2843137 0.5000000 -0.0000000), wk = 0.0024155 k( 83) = ( 0.2941177 0.5000000 -0.0000000), wk = 0.0024155 k( 84) = ( 0.3039216 0.5000000 -0.0000000), wk = 0.0024155 k( 85) = ( 0.3137255 0.5000000 -0.0000000), wk = 0.0024155 k( 86) = ( 0.3235294 0.5000000 -0.0000000), wk = 0.0024155 k( 87) = ( 0.3333333 0.5000000 0.0000000), wk = 0.0024155 k( 88) = ( 0.3431373 0.5000000 0.0000000), wk = 0.0024155 k( 89) = ( 0.3529412 0.5000000 -0.0000000), wk = 0.0024155 k( 90) = ( 0.3627451 0.5000000 -0.0000000), wk = 0.0024155 k( 91) = ( 0.3725490 0.5000000 -0.0000000), wk = 0.0024155 k( 92) = ( 0.3823529 0.5000000 -0.0000000), wk = 0.0024155 k( 93) = ( 0.3921569 0.5000000 0.0000000), wk = 0.0024155 k( 94) = ( 0.4019608 0.5000000 0.0000000), wk = 0.0024155 k( 95) = ( 0.4117647 0.5000000 0.0000000), wk = 0.0024155 k( 96) = ( 0.4215686 0.5000000 -0.0000000), wk = 0.0024155 k( 97) = ( 0.4313726 0.5000000 -0.0000000), wk = 0.0024155 k( 98) = ( 0.4411765 0.5000000 -0.0000000), wk = 0.0024155 k( 99) = ( 0.4509804 0.5000000 0.0000000), wk = 0.0024155 k( 100) = ( 0.4607843 0.5000000 -0.0000000), wk = 0.0024155 k( 101) = ( 0.4705882 0.5000000 0.0000000), wk = 0.0024155 k( 102) = ( 0.4803922 0.5000000 0.0000000), wk = 0.0024155 k( 103) = ( 0.4901961 0.5000000 -0.0000000), wk = 0.0024155 k( 104) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0024155 k( 105) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0024155 k( 106) = ( 0.4930556 0.4930556 0.0000000), wk = 0.0024155 k( 107) = ( 0.4861111 0.4861111 0.0000000), wk = 0.0024155 k( 108) = ( 0.4791667 0.4791667 -0.0000000), wk = 0.0024155 k( 109) = ( 0.4722222 0.4722222 0.0000000), wk = 0.0024155 k( 110) = ( 0.4652778 0.4652778 -0.0000000), wk = 0.0024155 k( 111) = ( 0.4583333 0.4583333 -0.0000000), wk = 0.0024155 k( 112) = ( 0.4513889 0.4513889 0.0000000), wk = 0.0024155 k( 113) = ( 0.4444444 0.4444444 0.0000000), wk = 0.0024155 k( 114) = ( 0.4375000 0.4375000 -0.0000000), wk = 0.0024155 k( 115) = ( 0.4305556 0.4305556 -0.0000000), wk = 0.0024155 k( 116) = ( 0.4236111 0.4236111 -0.0000000), wk = 0.0024155 k( 117) = ( 0.4166667 0.4166667 -0.0000000), wk = 0.0024155 k( 118) = ( 0.4097222 0.4097222 -0.0000000), wk = 0.0024155 k( 119) = ( 0.4027778 0.4027778 -0.0000000), wk = 0.0024155 k( 120) = ( 0.3958333 0.3958333 0.0000000), wk = 0.0024155 k( 121) = ( 0.3888889 0.3888889 -0.0000000), wk = 0.0024155 k( 122) = ( 0.3819444 0.3819444 -0.0000000), wk = 0.0024155 k( 123) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0024155 k( 124) = ( 0.3680556 0.3680556 -0.0000000), wk = 0.0024155 k( 125) = ( 0.3611111 0.3611111 -0.0000000), wk = 0.0024155 k( 126) = ( 0.3541667 0.3541667 -0.0000000), wk = 0.0024155 k( 127) = ( 0.3472222 0.3472222 -0.0000000), wk = 0.0024155 k( 128) = ( 0.3402778 0.3402778 -0.0000000), wk = 0.0024155 k( 129) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0024155 k( 130) = ( 0.3263889 0.3263889 -0.0000000), wk = 0.0024155 k( 131) = ( 0.3194444 0.3194444 -0.0000000), wk = 0.0024155 k( 132) = ( 0.3125000 0.3125000 -0.0000000), wk = 0.0024155 k( 133) = ( 0.3055556 0.3055556 -0.0000000), wk = 0.0024155 k( 134) = ( 0.2986111 0.2986111 -0.0000000), wk = 0.0024155 k( 135) = ( 0.2916667 0.2916667 -0.0000000), wk = 0.0024155 k( 136) = ( 0.2847222 0.2847222 -0.0000000), wk = 0.0024155 k( 137) = ( 0.2777778 0.2777778 -0.0000000), wk = 0.0024155 k( 138) = ( 0.2708333 0.2708333 0.0000000), wk = 0.0024155 k( 139) = ( 0.2638889 0.2638889 0.0000000), wk = 0.0024155 k( 140) = ( 0.2569444 0.2569444 0.0000000), wk = 0.0024155 k( 141) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0024155 k( 142) = ( 0.2430556 0.2430556 -0.0000000), wk = 0.0024155 k( 143) = ( 0.2361111 0.2361111 0.0000000), wk = 0.0024155 k( 144) = ( 0.2291667 0.2291667 0.0000000), wk = 0.0024155 k( 145) = ( 0.2222222 0.2222222 0.0000000), wk = 0.0024155 k( 146) = ( 0.2152778 0.2152778 -0.0000000), wk = 0.0024155 k( 147) = ( 0.2083333 0.2083333 -0.0000000), wk = 0.0024155 k( 148) = ( 0.2013889 0.2013889 -0.0000000), wk = 0.0024155 k( 149) = ( 0.1944444 0.1944444 0.0000000), wk = 0.0024155 k( 150) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0024155 k( 151) = ( 0.1805556 0.1805556 -0.0000000), wk = 0.0024155 k( 152) = ( 0.1736111 0.1736111 -0.0000000), wk = 0.0024155 k( 153) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0024155 k( 154) = ( 0.1597222 0.1597222 -0.0000000), wk = 0.0024155 k( 155) = ( 0.1527778 0.1527778 -0.0000000), wk = 0.0024155 k( 156) = ( 0.1458333 0.1458333 -0.0000000), wk = 0.0024155 k( 157) = ( 0.1388889 0.1388889 -0.0000000), wk = 0.0024155 k( 158) = ( 0.1319444 0.1319444 0.0000000), wk = 0.0024155 k( 159) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0024155 k( 160) = ( 0.1180556 0.1180556 -0.0000000), wk = 0.0024155 k( 161) = ( 0.1111111 0.1111111 0.0000000), wk = 0.0024155 k( 162) = ( 0.1041667 0.1041667 -0.0000000), wk = 0.0024155 k( 163) = ( 0.0972222 0.0972222 0.0000000), wk = 0.0024155 k( 164) = ( 0.0902778 0.0902778 -0.0000000), wk = 0.0024155 k( 165) = ( 0.0833333 0.0833333 0.0000000), wk = 0.0024155 k( 166) = ( 0.0763889 0.0763889 -0.0000000), wk = 0.0024155 k( 167) = ( 0.0694444 0.0694444 -0.0000000), wk = 0.0024155 k( 168) = ( 0.0625000 0.0625000 -0.0000000), wk = 0.0024155 k( 169) = ( 0.0555556 0.0555556 0.0000000), wk = 0.0024155 k( 170) = ( 0.0486111 0.0486111 0.0000000), wk = 0.0024155 k( 171) = ( 0.0416667 0.0416667 0.0000000), wk = 0.0024155 k( 172) = ( 0.0347222 0.0347222 -0.0000000), wk = 0.0024155 k( 173) = ( 0.0277778 0.0277778 0.0000000), wk = 0.0024155 k( 174) = ( 0.0208333 0.0208333 0.0000000), wk = 0.0024155 k( 175) = ( 0.0138889 0.0138889 0.0000000), wk = 0.0024155 k( 176) = ( 0.0069444 0.0069444 -0.0000000), wk = 0.0024155 k( 177) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024155 k( 178) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024155 k( 179) = ( 0.0000000 0.0000000 0.0263158), wk = 0.0024155 k( 180) = ( 0.0000000 0.0000000 0.0526316), wk = 0.0024155 k( 181) = ( 0.0000000 0.0000000 0.0789474), wk = 0.0024155 k( 182) = ( 0.0000000 0.0000000 0.1052632), wk = 0.0024155 k( 183) = ( 0.0000000 0.0000000 0.1315790), wk = 0.0024155 k( 184) = ( 0.0000000 0.0000000 0.1578947), wk = 0.0024155 k( 185) = ( 0.0000000 0.0000000 0.1842105), wk = 0.0024155 k( 186) = ( 0.0000000 0.0000000 0.2105263), wk = 0.0024155 k( 187) = ( 0.0000000 0.0000000 0.2368421), wk = 0.0024155 k( 188) = ( 0.0000000 0.0000000 0.2631579), wk = 0.0024155 k( 189) = ( 0.0000000 0.0000000 0.2894737), wk = 0.0024155 k( 190) = ( 0.0000000 0.0000000 0.3157895), wk = 0.0024155 k( 191) = ( 0.0000000 0.0000000 0.3421053), wk = 0.0024155 k( 192) = ( 0.0000000 0.0000000 0.3684211), wk = 0.0024155 k( 193) = ( 0.0000000 0.0000000 0.3947368), wk = 0.0024155 k( 194) = ( 0.0000000 0.0000000 0.4210526), wk = 0.0024155 k( 195) = ( 0.0000000 0.0000000 0.4473684), wk = 0.0024155 k( 196) = ( 0.0000000 0.0000000 0.4736842), wk = 0.0024155 k( 197) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024155 k( 198) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024155 k( 199) = ( 0.0000000 0.0098039 0.5000000), wk = 0.0024155 k( 200) = ( 0.0000000 0.0196078 0.5000000), wk = 0.0024155 k( 201) = ( 0.0000000 0.0294118 0.5000000), wk = 0.0024155 k( 202) = ( 0.0000000 0.0392157 0.5000000), wk = 0.0024155 k( 203) = ( 0.0000000 0.0490196 0.5000000), wk = 0.0024155 k( 204) = ( 0.0000000 0.0588235 0.5000000), wk = 0.0024155 k( 205) = ( 0.0000000 0.0686275 0.5000000), wk = 0.0024155 k( 206) = ( 0.0000000 0.0784314 0.5000000), wk = 0.0024155 k( 207) = ( 0.0000000 0.0882353 0.5000000), wk = 0.0024155 k( 208) = ( 0.0000000 0.0980392 0.5000000), wk = 0.0024155 k( 209) = ( 0.0000000 0.1078431 0.5000000), wk = 0.0024155 k( 210) = ( 0.0000000 0.1176471 0.5000000), wk = 0.0024155 k( 211) = ( 0.0000000 0.1274510 0.5000000), wk = 0.0024155 k( 212) = ( 0.0000000 0.1372549 0.5000000), wk = 0.0024155 k( 213) = ( 0.0000000 0.1470588 0.5000000), wk = 0.0024155 k( 214) = ( 0.0000000 0.1568627 0.5000000), wk = 0.0024155 k( 215) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0024155 k( 216) = ( 0.0000000 0.1764706 0.5000000), wk = 0.0024155 k( 217) = ( 0.0000000 0.1862745 0.5000000), wk = 0.0024155 k( 218) = ( 0.0000000 0.1960784 0.5000000), wk = 0.0024155 k( 219) = ( 0.0000000 0.2058823 0.5000000), wk = 0.0024155 k( 220) = ( 0.0000000 0.2156863 0.5000000), wk = 0.0024155 k( 221) = ( 0.0000000 0.2254902 0.5000000), wk = 0.0024155 k( 222) = ( 0.0000000 0.2352941 0.5000000), wk = 0.0024155 k( 223) = ( 0.0000000 0.2450980 0.5000000), wk = 0.0024155 k( 224) = ( 0.0000000 0.2549020 0.5000000), wk = 0.0024155 k( 225) = ( 0.0000000 0.2647059 0.5000000), wk = 0.0024155 k( 226) = ( 0.0000000 0.2745098 0.5000000), wk = 0.0024155 k( 227) = ( 0.0000000 0.2843137 0.5000000), wk = 0.0024155 k( 228) = ( 0.0000000 0.2941177 0.5000000), wk = 0.0024155 k( 229) = ( 0.0000000 0.3039216 0.5000000), wk = 0.0024155 k( 230) = ( 0.0000000 0.3137255 0.5000000), wk = 0.0024155 k( 231) = ( 0.0000000 0.3235294 0.5000000), wk = 0.0024155 k( 232) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0024155 k( 233) = ( 0.0000000 0.3431373 0.5000000), wk = 0.0024155 k( 234) = ( 0.0000000 0.3529412 0.5000000), wk = 0.0024155 k( 235) = ( 0.0000000 0.3627451 0.5000000), wk = 0.0024155 k( 236) = ( 0.0000000 0.3725490 0.5000000), wk = 0.0024155 k( 237) = ( 0.0000000 0.3823529 0.5000000), wk = 0.0024155 k( 238) = ( 0.0000000 0.3921569 0.5000000), wk = 0.0024155 k( 239) = ( 0.0000000 0.4019608 0.5000000), wk = 0.0024155 k( 240) = ( 0.0000000 0.4117647 0.5000000), wk = 0.0024155 k( 241) = ( 0.0000000 0.4215686 0.5000000), wk = 0.0024155 k( 242) = ( 0.0000000 0.4313726 0.5000000), wk = 0.0024155 k( 243) = ( 0.0000000 0.4411765 0.5000000), wk = 0.0024155 k( 244) = ( 0.0000000 0.4509804 0.5000000), wk = 0.0024155 k( 245) = ( 0.0000000 0.4607843 0.5000000), wk = 0.0024155 k( 246) = ( 0.0000000 0.4705882 0.5000000), wk = 0.0024155 k( 247) = ( 0.0000000 0.4803922 0.5000000), wk = 0.0024155 k( 248) = ( 0.0000000 0.4901961 0.5000000), wk = 0.0024155 k( 249) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0024155 k( 250) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0024155 k( 251) = ( 0.0098039 0.5000000 0.5000000), wk = 0.0024155 k( 252) = ( 0.0196078 0.5000000 0.5000000), wk = 0.0024155 k( 253) = ( 0.0294118 0.5000000 0.5000000), wk = 0.0024155 k( 254) = ( 0.0392157 0.5000000 0.5000000), wk = 0.0024155 k( 255) = ( 0.0490196 0.5000000 0.5000000), wk = 0.0024155 k( 256) = ( 0.0588235 0.5000000 0.5000000), wk = 0.0024155 k( 257) = ( 0.0686275 0.5000000 0.5000000), wk = 0.0024155 k( 258) = ( 0.0784314 0.5000000 0.5000000), wk = 0.0024155 k( 259) = ( 0.0882353 0.5000000 0.5000000), wk = 0.0024155 k( 260) = ( 0.0980392 0.5000000 0.5000000), wk = 0.0024155 k( 261) = ( 0.1078431 0.5000000 0.5000000), wk = 0.0024155 k( 262) = ( 0.1176471 0.5000000 0.5000000), wk = 0.0024155 k( 263) = ( 0.1274510 0.5000000 0.5000000), wk = 0.0024155 k( 264) = ( 0.1372549 0.5000000 0.5000000), wk = 0.0024155 k( 265) = ( 0.1470588 0.5000000 0.5000000), wk = 0.0024155 k( 266) = ( 0.1568627 0.5000000 0.5000000), wk = 0.0024155 k( 267) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0024155 k( 268) = ( 0.1764706 0.5000000 0.5000000), wk = 0.0024155 k( 269) = ( 0.1862745 0.5000000 0.5000000), wk = 0.0024155 k( 270) = ( 0.1960784 0.5000000 0.5000000), wk = 0.0024155 k( 271) = ( 0.2058823 0.5000000 0.5000000), wk = 0.0024155 k( 272) = ( 0.2156863 0.5000000 0.5000000), wk = 0.0024155 k( 273) = ( 0.2254902 0.5000000 0.5000000), wk = 0.0024155 k( 274) = ( 0.2352941 0.5000000 0.5000000), wk = 0.0024155 k( 275) = ( 0.2450980 0.5000000 0.5000000), wk = 0.0024155 k( 276) = ( 0.2549020 0.5000000 0.5000000), wk = 0.0024155 k( 277) = ( 0.2647059 0.5000000 0.5000000), wk = 0.0024155 k( 278) = ( 0.2745098 0.5000000 0.5000000), wk = 0.0024155 k( 279) = ( 0.2843137 0.5000000 0.5000000), wk = 0.0024155 k( 280) = ( 0.2941177 0.5000000 0.5000000), wk = 0.0024155 k( 281) = ( 0.3039216 0.5000000 0.5000000), wk = 0.0024155 k( 282) = ( 0.3137255 0.5000000 0.5000000), wk = 0.0024155 k( 283) = ( 0.3235294 0.5000000 0.5000000), wk = 0.0024155 k( 284) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0024155 k( 285) = ( 0.3431373 0.5000000 0.5000000), wk = 0.0024155 k( 286) = ( 0.3529412 0.5000000 0.5000000), wk = 0.0024155 k( 287) = ( 0.3627451 0.5000000 0.5000000), wk = 0.0024155 k( 288) = ( 0.3725490 0.5000000 0.5000000), wk = 0.0024155 k( 289) = ( 0.3823529 0.5000000 0.5000000), wk = 0.0024155 k( 290) = ( 0.3921569 0.5000000 0.5000000), wk = 0.0024155 k( 291) = ( 0.4019608 0.5000000 0.5000000), wk = 0.0024155 k( 292) = ( 0.4117647 0.5000000 0.5000000), wk = 0.0024155 k( 293) = ( 0.4215686 0.5000000 0.5000000), wk = 0.0024155 k( 294) = ( 0.4313726 0.5000000 0.5000000), wk = 0.0024155 k( 295) = ( 0.4411765 0.5000000 0.5000000), wk = 0.0024155 k( 296) = ( 0.4509804 0.5000000 0.5000000), wk = 0.0024155 k( 297) = ( 0.4607843 0.5000000 0.5000000), wk = 0.0024155 k( 298) = ( 0.4705882 0.5000000 0.5000000), wk = 0.0024155 k( 299) = ( 0.4803922 0.5000000 0.5000000), wk = 0.0024155 k( 300) = ( 0.4901961 0.5000000 0.5000000), wk = 0.0024155 k( 301) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024155 k( 302) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024155 k( 303) = ( 0.4930556 0.4930556 0.5000000), wk = 0.0024155 k( 304) = ( 0.4861111 0.4861111 0.5000000), wk = 0.0024155 k( 305) = ( 0.4791667 0.4791667 0.5000000), wk = 0.0024155 k( 306) = ( 0.4722222 0.4722222 0.5000000), wk = 0.0024155 k( 307) = ( 0.4652778 0.4652778 0.5000000), wk = 0.0024155 k( 308) = ( 0.4583333 0.4583333 0.5000000), wk = 0.0024155 k( 309) = ( 0.4513889 0.4513889 0.5000000), wk = 0.0024155 k( 310) = ( 0.4444444 0.4444444 0.5000000), wk = 0.0024155 k( 311) = ( 0.4375000 0.4375000 0.5000000), wk = 0.0024155 k( 312) = ( 0.4305556 0.4305556 0.5000000), wk = 0.0024155 k( 313) = ( 0.4236111 0.4236111 0.5000000), wk = 0.0024155 k( 314) = ( 0.4166667 0.4166667 0.5000000), wk = 0.0024155 k( 315) = ( 0.4097222 0.4097222 0.5000000), wk = 0.0024155 k( 316) = ( 0.4027778 0.4027778 0.5000000), wk = 0.0024155 k( 317) = ( 0.3958333 0.3958333 0.5000000), wk = 0.0024155 k( 318) = ( 0.3888889 0.3888889 0.5000000), wk = 0.0024155 k( 319) = ( 0.3819444 0.3819444 0.5000000), wk = 0.0024155 k( 320) = ( 0.3750000 0.3750000 0.5000000), wk = 0.0024155 k( 321) = ( 0.3680556 0.3680556 0.5000000), wk = 0.0024155 k( 322) = ( 0.3611111 0.3611111 0.5000000), wk = 0.0024155 k( 323) = ( 0.3541667 0.3541667 0.5000000), wk = 0.0024155 k( 324) = ( 0.3472222 0.3472222 0.5000000), wk = 0.0024155 k( 325) = ( 0.3402778 0.3402778 0.5000000), wk = 0.0024155 k( 326) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0024155 k( 327) = ( 0.3263889 0.3263889 0.5000000), wk = 0.0024155 k( 328) = ( 0.3194444 0.3194444 0.5000000), wk = 0.0024155 k( 329) = ( 0.3125000 0.3125000 0.5000000), wk = 0.0024155 k( 330) = ( 0.3055556 0.3055556 0.5000000), wk = 0.0024155 k( 331) = ( 0.2986111 0.2986111 0.5000000), wk = 0.0024155 k( 332) = ( 0.2916667 0.2916667 0.5000000), wk = 0.0024155 k( 333) = ( 0.2847222 0.2847222 0.5000000), wk = 0.0024155 k( 334) = ( 0.2777778 0.2777778 0.5000000), wk = 0.0024155 k( 335) = ( 0.2708333 0.2708333 0.5000000), wk = 0.0024155 k( 336) = ( 0.2638889 0.2638889 0.5000000), wk = 0.0024155 k( 337) = ( 0.2569444 0.2569444 0.5000000), wk = 0.0024155 k( 338) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0024155 k( 339) = ( 0.2430556 0.2430556 0.5000000), wk = 0.0024155 k( 340) = ( 0.2361111 0.2361111 0.5000000), wk = 0.0024155 k( 341) = ( 0.2291667 0.2291667 0.5000000), wk = 0.0024155 k( 342) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0024155 k( 343) = ( 0.2152778 0.2152778 0.5000000), wk = 0.0024155 k( 344) = ( 0.2083333 0.2083333 0.5000000), wk = 0.0024155 k( 345) = ( 0.2013889 0.2013889 0.5000000), wk = 0.0024155 k( 346) = ( 0.1944444 0.1944444 0.5000000), wk = 0.0024155 k( 347) = ( 0.1875000 0.1875000 0.5000000), wk = 0.0024155 k( 348) = ( 0.1805556 0.1805556 0.5000000), wk = 0.0024155 k( 349) = ( 0.1736111 0.1736111 0.5000000), wk = 0.0024155 k( 350) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0024155 k( 351) = ( 0.1597222 0.1597222 0.5000000), wk = 0.0024155 k( 352) = ( 0.1527778 0.1527778 0.5000000), wk = 0.0024155 k( 353) = ( 0.1458333 0.1458333 0.5000000), wk = 0.0024155 k( 354) = ( 0.1388889 0.1388889 0.5000000), wk = 0.0024155 k( 355) = ( 0.1319444 0.1319444 0.5000000), wk = 0.0024155 k( 356) = ( 0.1250000 0.1250000 0.5000000), wk = 0.0024155 k( 357) = ( 0.1180556 0.1180556 0.5000000), wk = 0.0024155 k( 358) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0024155 k( 359) = ( 0.1041667 0.1041667 0.5000000), wk = 0.0024155 k( 360) = ( 0.0972222 0.0972222 0.5000000), wk = 0.0024155 k( 361) = ( 0.0902778 0.0902778 0.5000000), wk = 0.0024155 k( 362) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0024155 k( 363) = ( 0.0763889 0.0763889 0.5000000), wk = 0.0024155 k( 364) = ( 0.0694444 0.0694444 0.5000000), wk = 0.0024155 k( 365) = ( 0.0625000 0.0625000 0.5000000), wk = 0.0024155 k( 366) = ( 0.0555556 0.0555556 0.5000000), wk = 0.0024155 k( 367) = ( 0.0486111 0.0486111 0.5000000), wk = 0.0024155 k( 368) = ( 0.0416667 0.0416667 0.5000000), wk = 0.0024155 k( 369) = ( 0.0347222 0.0347222 0.5000000), wk = 0.0024155 k( 370) = ( 0.0277778 0.0277778 0.5000000), wk = 0.0024155 k( 371) = ( 0.0208333 0.0208333 0.5000000), wk = 0.0024155 k( 372) = ( 0.0138889 0.0138889 0.5000000), wk = 0.0024155 k( 373) = ( 0.0069444 0.0069444 0.5000000), wk = 0.0024155 k( 374) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024155 k( 375) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0024155 k( 376) = ( 0.0000000 0.5000000 0.0263158), wk = 0.0024155 k( 377) = ( 0.0000000 0.5000000 0.0526316), wk = 0.0024155 k( 378) = ( 0.0000000 0.5000000 0.0789474), wk = 0.0024155 k( 379) = ( 0.0000000 0.5000000 0.1052632), wk = 0.0024155 k( 380) = ( 0.0000000 0.5000000 0.1315790), wk = 0.0024155 k( 381) = ( 0.0000000 0.5000000 0.1578947), wk = 0.0024155 k( 382) = ( 0.0000000 0.5000000 0.1842105), wk = 0.0024155 k( 383) = ( 0.0000000 0.5000000 0.2105263), wk = 0.0024155 k( 384) = ( 0.0000000 0.5000000 0.2368421), wk = 0.0024155 k( 385) = ( 0.0000000 0.5000000 0.2631579), wk = 0.0024155 k( 386) = ( 0.0000000 0.5000000 0.2894737), wk = 0.0024155 k( 387) = ( 0.0000000 0.5000000 0.3157895), wk = 0.0024155 k( 388) = ( 0.0000000 0.5000000 0.3421053), wk = 0.0024155 k( 389) = ( 0.0000000 0.5000000 0.3684211), wk = 0.0024155 k( 390) = ( 0.0000000 0.5000000 0.3947368), wk = 0.0024155 k( 391) = ( 0.0000000 0.5000000 0.4210526), wk = 0.0024155 k( 392) = ( 0.0000000 0.5000000 0.4473684), wk = 0.0024155 k( 393) = ( 0.0000000 0.5000000 0.4736842), wk = 0.0024155 k( 394) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0024155 k( 395) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0024155 k( 396) = ( 0.5000000 0.5000000 0.0263158), wk = 0.0024155 k( 397) = ( 0.5000000 0.5000000 0.0526316), wk = 0.0024155 k( 398) = ( 0.5000000 0.5000000 0.0789474), wk = 0.0024155 k( 399) = ( 0.5000000 0.5000000 0.1052632), wk = 0.0024155 k( 400) = ( 0.5000000 0.5000000 0.1315790), wk = 0.0024155 k( 401) = ( 0.5000000 0.5000000 0.1578947), wk = 0.0024155 k( 402) = ( 0.5000000 0.5000000 0.1842105), wk = 0.0024155 k( 403) = ( 0.5000000 0.5000000 0.2105263), wk = 0.0024155 k( 404) = ( 0.5000000 0.5000000 0.2368421), wk = 0.0024155 k( 405) = ( 0.5000000 0.5000000 0.2631579), wk = 0.0024155 k( 406) = ( 0.5000000 0.5000000 0.2894737), wk = 0.0024155 k( 407) = ( 0.5000000 0.5000000 0.3157895), wk = 0.0024155 k( 408) = ( 0.5000000 0.5000000 0.3421053), wk = 0.0024155 k( 409) = ( 0.5000000 0.5000000 0.3684211), wk = 0.0024155 k( 410) = ( 0.5000000 0.5000000 0.3947368), wk = 0.0024155 k( 411) = ( 0.5000000 0.5000000 0.4210526), wk = 0.0024155 k( 412) = ( 0.5000000 0.5000000 0.4473684), wk = 0.0024155 k( 413) = ( 0.5000000 0.5000000 0.4736842), wk = 0.0024155 k( 414) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024155 Dense grid: 154463 G-vectors FFT dimensions: ( 48, 48, 135) Smooth grid: 25365 G-vectors FFT dimensions: ( 25, 25, 75) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.16 Mb ( 180, 58) NL pseudopotentials 0.19 Mb ( 90, 136) Each V/rho on FFT grid 0.14 Mb ( 9216) Each G-vector array 0.03 Mb ( 4297) G-vector shells 0.02 Mb ( 2173) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.64 Mb ( 180, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.24 Mb ( 136, 2, 58) The potential is recalculated from file : ./HfCd.save/charge-density.dat Starting wfc are 76 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.8 secs Computing kpt #: 2 total cpu time spent up to now is 4.3 secs Computing kpt #: 3 total cpu time spent up to now is 4.8 secs Computing kpt #: 4 total cpu time spent up to now is 5.3 secs Computing kpt #: 5 total cpu time spent up to now is 5.8 secs Computing kpt #: 6 total cpu time spent up to now is 6.3 secs Computing kpt #: 7 total cpu time spent up to now is 6.8 secs Computing kpt #: 8 total cpu time spent up to now is 7.3 secs Computing kpt #: 9 total cpu time spent up to now is 7.8 secs Computing kpt #: 10 total cpu time spent up to now is 8.2 secs Computing kpt #: 11 total cpu time spent up to now is 8.7 secs Computing kpt #: 12 total cpu time spent up to now is 9.2 secs Computing kpt #: 13 total cpu time spent up to now is 9.7 secs Computing kpt #: 14 total cpu time spent up to now is 10.2 secs Computing kpt #: 15 total cpu time spent up to now is 10.6 secs Computing kpt #: 16 total cpu time spent up to now is 11.1 secs Computing kpt #: 17 total cpu time spent up to now is 11.6 secs Computing kpt #: 18 total cpu time spent up to now is 12.0 secs Computing kpt #: 19 total cpu time spent up to now is 12.5 secs Computing kpt #: 20 total cpu time spent up to now is 13.0 secs Computing kpt #: 21 total cpu time spent up to now is 13.4 secs Computing kpt #: 22 total cpu time spent up to now is 13.9 secs Computing kpt #: 23 total cpu time spent up to now is 14.4 secs Computing kpt #: 24 total cpu time spent up to now is 14.8 secs Computing kpt #: 25 total cpu time spent up to now is 15.3 secs Computing kpt #: 26 total cpu time spent up to now is 15.8 secs Computing kpt #: 27 total cpu time spent up to now is 16.3 secs Computing kpt #: 28 total cpu time spent up to now is 16.7 secs Computing kpt #: 29 total cpu time spent up to now is 17.2 secs Computing kpt #: 30 total cpu time spent up to now is 17.7 secs Computing kpt #: 31 total cpu time spent up to now is 18.2 secs Computing kpt #: 32 total cpu time spent up to now is 18.7 secs Computing kpt #: 33 total cpu time spent up to now is 19.2 secs Computing kpt #: 34 total cpu time spent up to now is 19.6 secs Computing kpt #: 35 total cpu time spent up to now is 20.1 secs Computing kpt #: 36 total cpu time spent up to now is 20.6 secs Computing kpt #: 37 total cpu time spent up to now is 21.1 secs Computing kpt #: 38 total cpu time spent up to now is 21.6 secs Computing kpt #: 39 total cpu time spent up to now is 22.1 secs Computing kpt #: 40 total cpu time spent up to now is 22.6 secs Computing kpt #: 41 total cpu time spent up to now is 23.2 secs Computing kpt #: 42 total cpu time spent up to now is 23.7 secs Computing kpt #: 43 total cpu time spent up to now is 24.3 secs Computing kpt #: 44 total cpu time spent up to now is 24.8 secs Computing kpt #: 45 total cpu time spent up to now is 25.4 secs Computing kpt #: 46 total cpu time spent up to now is 25.8 secs Computing kpt #: 47 total cpu time spent up to now is 26.3 secs Computing kpt #: 48 total cpu time spent up to now is 26.8 secs Computing kpt #: 49 total cpu time spent up to now is 27.3 secs Computing kpt #: 50 total cpu time spent up to now is 27.8 secs Computing kpt #: 51 total cpu time spent up to now is 28.3 secs Computing kpt #: 52 total cpu time spent up to now is 28.8 secs Computing kpt #: 53 total cpu time spent up to now is 29.2 secs Computing kpt #: 54 total cpu time spent up to now is 29.8 secs Computing kpt #: 55 total cpu time spent up to now is 30.3 secs Computing kpt #: 56 total cpu time spent up to now is 30.7 secs Computing kpt #: 57 total cpu time spent up to now is 31.2 secs Computing kpt #: 58 total cpu time spent up to now is 31.7 secs Computing kpt #: 59 total cpu time spent up to now is 32.2 secs Computing kpt #: 60 total cpu time spent up to now is 33.0 secs Computing kpt #: 61 total cpu time spent up to now is 33.5 secs Computing kpt #: 62 total cpu time spent up to now is 34.3 secs Computing kpt #: 63 total cpu time spent up to now is 35.0 secs Computing kpt #: 64 total cpu time spent up to now is 35.5 secs Computing kpt #: 65 total cpu time spent up to now is 36.2 secs Computing kpt #: 66 total cpu time spent up to now is 36.7 secs Computing kpt #: 67 total cpu time spent up to now is 37.4 secs Computing kpt #: 68 total cpu time spent up to now is 38.0 secs Computing kpt #: 69 total cpu time spent up to now is 38.5 secs Computing kpt #: 70 total cpu time spent up to now is 39.1 secs Computing kpt #: 71 total cpu time spent up to now is 39.9 secs Computing kpt #: 72 total cpu time spent up to now is 40.6 secs Computing kpt #: 73 total cpu time spent up to now is 41.5 secs Computing kpt #: 74 total cpu time spent up to now is 42.5 secs Computing kpt #: 75 total cpu time spent up to now is 43.3 secs Computing kpt #: 76 total cpu time spent up to now is 44.3 secs Computing kpt #: 77 total cpu time spent up to now is 45.3 secs Computing kpt #: 78 total cpu time spent up to now is 46.2 secs Computing kpt #: 79 total cpu time spent up to now is 47.0 secs Computing kpt #: 80 total cpu time spent up to now is 47.8 secs Computing kpt #: 81 total cpu time spent up to now is 48.7 secs Computing kpt #: 82 total cpu time spent up to now is 49.5 secs Computing kpt #: 83 total cpu time spent up to now is 50.4 secs Computing kpt #: 84 total cpu time spent up to now is 51.2 secs Computing kpt #: 85 total cpu time spent up to now is 51.8 secs Computing kpt #: 86 total cpu time spent up to now is 52.5 secs Computing kpt #: 87 total cpu time spent up to now is 53.0 secs Computing kpt #: 88 total cpu time spent up to now is 53.6 secs Computing kpt #: 89 total cpu time spent up to now is 54.4 secs Computing kpt #: 90 total cpu time spent up to now is 55.2 secs Computing kpt #: 91 total cpu time spent up to now is 55.9 secs Computing kpt #: 92 total cpu time spent up to now is 56.4 secs Computing kpt #: 93 total cpu time spent up to now is 57.0 secs Computing kpt #: 94 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 58.5 secs Computing kpt #: 95 total cpu time spent up to now is 59.1 secs Computing kpt #: 96 total cpu time spent up to now is 59.7 secs Computing kpt #: 97 total cpu time spent up to now is 60.3 secs Computing kpt #: 98 total cpu time spent up to now is 60.9 secs Computing kpt #: 99 total cpu time spent up to now is 61.5 secs Computing kpt #: 100 total cpu time spent up to now is 62.0 secs Computing kpt #: 101 total cpu time spent up to now is 62.6 secs Computing kpt #: 102 total cpu time spent up to now is 63.2 secs Computing kpt #: 103 total cpu time spent up to now is 63.7 secs Computing kpt #: 104 total cpu time spent up to now is 64.2 secs Computing kpt #: 105 total cpu time spent up to now is 64.7 secs Computing kpt #: 106 total cpu time spent up to now is 65.3 secs Computing kpt #: 107 total cpu time spent up to now is 65.9 secs Computing kpt #: 108 total cpu time spent up to now is 66.4 secs Computing kpt #: 109 total cpu time spent up to now is 66.8 secs Computing kpt #: 110 total cpu time spent up to now is 67.3 secs Computing kpt #: 111 total cpu time spent up to now is 67.8 secs Computing kpt #: 112 total cpu time spent up to now is 68.3 secs Computing kpt #: 113 total cpu time spent up to now is 68.7 secs Computing kpt #: 114 total cpu time spent up to now is 69.2 secs Computing kpt #: 115 total cpu time spent up to now is 69.7 secs Computing kpt #: 116 total cpu time spent up to now is 70.2 secs Computing kpt #: 117 total cpu time spent up to now is 70.7 secs Computing kpt #: 118 total cpu time spent up to now is 71.2 secs Computing kpt #: 119 total cpu time spent up to now is 71.8 secs Computing kpt #: 120 total cpu time spent up to now is 72.4 secs Computing kpt #: 121 total cpu time spent up to now is 73.2 secs Computing kpt #: 122 total cpu time spent up to now is 73.9 secs Computing kpt #: 123 total cpu time spent up to now is 74.7 secs Computing kpt #: 124 total cpu time spent up to now is 75.4 secs Computing kpt #: 125 total cpu time spent up to now is 76.1 secs Computing kpt #: 126 total cpu time spent up to now is 76.7 secs Computing kpt #: 127 total cpu time spent up to now is 77.3 secs Computing kpt #: 128 total cpu time spent up to now is 78.1 secs Computing kpt #: 129 total cpu time spent up to now is 78.6 secs Computing kpt #: 130 total cpu time spent up to now is 79.2 secs Computing kpt #: 131 total cpu time spent up to now is 79.7 secs Computing kpt #: 132 total cpu time spent up to now is 80.3 secs Computing kpt #: 133 total cpu time spent up to now is 80.8 secs Computing kpt #: 134 total cpu time spent up to now is 81.2 secs Computing kpt #: 135 total cpu time spent up to now is 81.7 secs Computing kpt #: 136 total cpu time spent up to now is 82.2 secs Computing kpt #: 137 total cpu time spent up to now is 82.6 secs Computing kpt #: 138 total cpu time spent up to now is 83.1 secs Computing kpt #: 139 total cpu time spent up to now is 83.6 secs Computing kpt #: 140 total cpu time spent up to now is 84.1 secs Computing kpt #: 141 total cpu time spent up to now is 84.6 secs Computing kpt #: 142 total cpu time spent up to now is 85.1 secs Computing kpt #: 143 total cpu time spent up to now is 85.5 secs Computing kpt #: 144 total cpu time spent up to now is 86.0 secs Computing kpt #: 145 total cpu time spent up to now is 86.5 secs Computing kpt #: 146 total cpu time spent up to now is 87.0 secs Computing kpt #: 147 total cpu time spent up to now is 87.4 secs Computing kpt #: 148 total cpu time spent up to now is 87.9 secs Computing kpt #: 149 total cpu time spent up to now is 88.4 secs Computing kpt #: 150 total cpu time spent up to now is 88.9 secs Computing kpt #: 151 total cpu time spent up to now is 89.3 secs Computing kpt #: 152 total cpu time spent up to now is 89.8 secs Computing kpt #: 153 total cpu time spent up to now is 90.3 secs Computing kpt #: 154 total cpu time spent up to now is 90.8 secs Computing kpt #: 155 total cpu time spent up to now is 91.3 secs Computing kpt #: 156 total cpu time spent up to now is 91.8 secs Computing kpt #: 157 total cpu time spent up to now is 92.3 secs Computing kpt #: 158 total cpu time spent up to now is 92.8 secs Computing kpt #: 159 total cpu time spent up to now is 93.3 secs Computing kpt #: 160 total cpu time spent up to now is 93.8 secs Computing kpt #: 161 total cpu time spent up to now is 94.3 secs Computing kpt #: 162 total cpu time spent up to now is 94.8 secs Computing kpt #: 163 total cpu time spent up to now is 95.3 secs Computing kpt #: 164 total cpu time spent up to now is 95.8 secs Computing kpt #: 165 total cpu time spent up to now is 96.3 secs Computing kpt #: 166 total cpu time spent up to now is 96.8 secs Computing kpt #: 167 total cpu time spent up to now is 97.3 secs Computing kpt #: 168 total cpu time spent up to now is 97.8 secs Computing kpt #: 169 total cpu time spent up to now is 98.3 secs Computing kpt #: 170 total cpu time spent up to now is 98.9 secs Computing kpt #: 171 total cpu time spent up to now is 99.4 secs Computing kpt #: 172 total cpu time spent up to now is 99.9 secs Computing kpt #: 173 total cpu time spent up to now is 100.4 secs Computing kpt #: 174 total cpu time spent up to now is 100.9 secs Computing kpt #: 175 total cpu time spent up to now is 101.4 secs Computing kpt #: 176 total cpu time spent up to now is 101.9 secs Computing kpt #: 177 total cpu time spent up to now is 102.4 secs Computing kpt #: 178 total cpu time spent up to now is 102.8 secs Computing kpt #: 179 total cpu time spent up to now is 103.3 secs Computing kpt #: 180 total cpu time spent up to now is 103.8 secs Computing kpt #: 181 total cpu time spent up to now is 104.3 secs Computing kpt #: 182 total cpu time spent up to now is 104.7 secs Computing kpt #: 183 total cpu time spent up to now is 105.2 secs Computing kpt #: 184 total cpu time spent up to now is 105.6 secs Computing kpt #: 185 total cpu time spent up to now is 106.1 secs Computing kpt #: 186 total cpu time spent up to now is 106.6 secs Computing kpt #: 187 total cpu time spent up to now is 107.0 secs Computing kpt #: 188 total cpu time spent up to now is 107.6 secs Computing kpt #: 189 total cpu time spent up to now is 108.1 secs Computing kpt #: 190 total cpu time spent up to now is 108.6 secs Computing kpt #: 191 total cpu time spent up to now is 109.1 secs Computing kpt #: 192 total cpu time spent up to now is 109.7 secs Computing kpt #: 193 total cpu time spent up to now is 110.2 secs Computing kpt #: 194 total cpu time spent up to now is 110.7 secs Computing kpt #: 195 total cpu time spent up to now is 111.2 secs Computing kpt #: 196 total cpu time spent up to now is 111.8 secs Computing kpt #: 197 total cpu time spent up to now is 112.3 secs Computing kpt #: 198 total cpu time spent up to now is 112.8 secs Computing kpt #: 199 total cpu time spent up to now is 113.3 secs Computing kpt #: 200 total cpu time spent up to now is 113.8 secs Computing kpt #: 201 total cpu time spent up to now is 114.4 secs Computing kpt #: 202 total cpu time spent up to now is 114.9 secs Computing kpt #: 203 total cpu time spent up to now is 115.4 secs Computing kpt #: 204 total cpu time spent up to now is 115.9 secs Computing kpt #: 205 total cpu time spent up to now is 116.5 secs Computing kpt #: 206 total cpu time spent up to now is 117.0 secs Computing kpt #: 207 total cpu time spent up to now is 117.5 secs Computing kpt #: 208 total cpu time spent up to now is 118.0 secs Computing kpt #: 209 total cpu time spent up to now is 118.5 secs Computing kpt #: 210 total cpu time spent up to now is 119.0 secs Computing kpt #: 211 total cpu time spent up to now is 119.5 secs Computing kpt #: 212 total cpu time spent up to now is 120.0 secs Computing kpt #: 213 total cpu time spent up to now is 120.5 secs Computing kpt #: 214 total cpu time spent up to now is 121.0 secs Computing kpt #: 215 total cpu time spent up to now is 121.5 secs Computing kpt #: 216 total cpu time spent up to now is 122.0 secs Computing kpt #: 217 total cpu time spent up to now is 122.5 secs Computing kpt #: 218 total cpu time spent up to now is 123.0 secs Computing kpt #: 219 total cpu time spent up to now is 123.5 secs Computing kpt #: 220 total cpu time spent up to now is 124.0 secs Computing kpt #: 221 total cpu time spent up to now is 124.5 secs Computing kpt #: 222 total cpu time spent up to now is 125.0 secs Computing kpt #: 223 total cpu time spent up to now is 125.5 secs Computing kpt #: 224 total cpu time spent up to now is 125.9 secs Computing kpt #: 225 total cpu time spent up to now is 126.4 secs Computing kpt #: 226 total cpu time spent up to now is 126.9 secs Computing kpt #: 227 total cpu time spent up to now is 127.4 secs Computing kpt #: 228 total cpu time spent up to now is 127.9 secs Computing kpt #: 229 total cpu time spent up to now is 128.3 secs Computing kpt #: 230 total cpu time spent up to now is 128.8 secs Computing kpt #: 231 total cpu time spent up to now is 129.3 secs Computing kpt #: 232 total cpu time spent up to now is 129.8 secs Computing kpt #: 233 total cpu time spent up to now is 130.2 secs Computing kpt #: 234 total cpu time spent up to now is 130.7 secs Computing kpt #: 235 total cpu time spent up to now is 131.1 secs Computing kpt #: 236 total cpu time spent up to now is 131.6 secs Computing kpt #: 237 total cpu time spent up to now is 132.1 secs Computing kpt #: 238 total cpu time spent up to now is 132.6 secs Computing kpt #: 239 total cpu time spent up to now is 133.1 secs Computing kpt #: 240 total cpu time spent up to now is 133.5 secs Computing kpt #: 241 total cpu time spent up to now is 134.0 secs Computing kpt #: 242 total cpu time spent up to now is 134.5 secs Computing kpt #: 243 total cpu time spent up to now is 135.0 secs Computing kpt #: 244 total cpu time spent up to now is 135.6 secs Computing kpt #: 245 total cpu time spent up to now is 136.1 secs Computing kpt #: 246 total cpu time spent up to now is 136.6 secs Computing kpt #: 247 total cpu time spent up to now is 137.1 secs Computing kpt #: 248 total cpu time spent up to now is 137.6 secs Computing kpt #: 249 total cpu time spent up to now is 138.1 secs Computing kpt #: 250 total cpu time spent up to now is 138.6 secs Computing kpt #: 251 total cpu time spent up to now is 139.1 secs Computing kpt #: 252 total cpu time spent up to now is 139.6 secs Computing kpt #: 253 total cpu time spent up to now is 140.1 secs Computing kpt #: 254 total cpu time spent up to now is 140.6 secs Computing kpt #: 255 total cpu time spent up to now is 141.1 secs Computing kpt #: 256 total cpu time spent up to now is 141.5 secs Computing kpt #: 257 total cpu time spent up to now is 142.0 secs Computing kpt #: 258 total cpu time spent up to now is 142.5 secs Computing kpt #: 259 total cpu time spent up to now is 143.0 secs Computing kpt #: 260 total cpu time spent up to now is 143.5 secs Computing kpt #: 261 total cpu time spent up to now is 144.0 secs Computing kpt #: 262 total cpu time spent up to now is 144.5 secs Computing kpt #: 263 total cpu time spent up to now is 145.0 secs Computing kpt #: 264 total cpu time spent up to now is 145.5 secs Computing kpt #: 265 total cpu time spent up to now is 145.9 secs Computing kpt #: 266 total cpu time spent up to now is 146.4 secs Computing kpt #: 267 total cpu time spent up to now is 146.9 secs Computing kpt #: 268 total cpu time spent up to now is 147.4 secs Computing kpt #: 269 total cpu time spent up to now is 147.9 secs Computing kpt #: 270 total cpu time spent up to now is 148.4 secs Computing kpt #: 271 total cpu time spent up to now is 148.9 secs Computing kpt #: 272 total cpu time spent up to now is 149.3 secs Computing kpt #: 273 total cpu time spent up to now is 149.8 secs Computing kpt #: 274 total cpu time spent up to now is 150.2 secs Computing kpt #: 275 total cpu time spent up to now is 150.7 secs Computing kpt #: 276 total cpu time spent up to now is 151.2 secs Computing kpt #: 277 total cpu time spent up to now is 151.6 secs Computing kpt #: 278 total cpu time spent up to now is 152.2 secs Computing kpt #: 279 total cpu time spent up to now is 152.6 secs Computing kpt #: 280 total cpu time spent up to now is 153.2 secs Computing kpt #: 281 total cpu time spent up to now is 153.7 secs Computing kpt #: 282 total cpu time spent up to now is 154.1 secs Computing kpt #: 283 total cpu time spent up to now is 154.6 secs Computing kpt #: 284 total cpu time spent up to now is 155.1 secs Computing kpt #: 285 total cpu time spent up to now is 155.6 secs Computing kpt #: 286 total cpu time spent up to now is 156.1 secs Computing kpt #: 287 total cpu time spent up to now is 156.6 secs Computing kpt #: 288 total cpu time spent up to now is 157.0 secs Computing kpt #: 289 total cpu time spent up to now is 157.6 secs Computing kpt #: 290 total cpu time spent up to now is 158.1 secs Computing kpt #: 291 total cpu time spent up to now is 158.7 secs Computing kpt #: 292 total cpu time spent up to now is 159.4 secs Computing kpt #: 293 total cpu time spent up to now is 160.0 secs Computing kpt #: 294 total cpu time spent up to now is 160.7 secs Computing kpt #: 295 total cpu time spent up to now is 161.4 secs Computing kpt #: 296 total cpu time spent up to now is 162.3 secs Computing kpt #: 297 total cpu time spent up to now is 163.1 secs Computing kpt #: 298 total cpu time spent up to now is 164.1 secs Computing kpt #: 299 total cpu time spent up to now is 165.3 secs Computing kpt #: 300 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 166.8 secs Computing kpt #: 301 total cpu time spent up to now is 167.4 secs Computing kpt #: 302 total cpu time spent up to now is 168.1 secs Computing kpt #: 303 total cpu time spent up to now is 169.1 secs Computing kpt #: 304 total cpu time spent up to now is 170.1 secs Computing kpt #: 305 total cpu time spent up to now is 170.9 secs Computing kpt #: 306 total cpu time spent up to now is 171.7 secs Computing kpt #: 307 total cpu time spent up to now is 172.4 secs Computing kpt #: 308 total cpu time spent up to now is 173.1 secs Computing kpt #: 309 total cpu time spent up to now is 173.7 secs Computing kpt #: 310 total cpu time spent up to now is 174.2 secs Computing kpt #: 311 total cpu time spent up to now is 174.8 secs Computing kpt #: 312 total cpu time spent up to now is 175.3 secs Computing kpt #: 313 total cpu time spent up to now is 175.8 secs Computing kpt #: 314 total cpu time spent up to now is 176.2 secs Computing kpt #: 315 total cpu time spent up to now is 176.7 secs Computing kpt #: 316 total cpu time spent up to now is 177.2 secs Computing kpt #: 317 total cpu time spent up to now is 177.6 secs Computing kpt #: 318 total cpu time spent up to now is 178.1 secs Computing kpt #: 319 total cpu time spent up to now is 178.5 secs Computing kpt #: 320 total cpu time spent up to now is 179.0 secs Computing kpt #: 321 total cpu time spent up to now is 179.4 secs Computing kpt #: 322 total cpu time spent up to now is 179.9 secs Computing kpt #: 323 total cpu time spent up to now is 180.4 secs Computing kpt #: 324 total cpu time spent up to now is 180.8 secs Computing kpt #: 325 total cpu time spent up to now is 181.3 secs Computing kpt #: 326 total cpu time spent up to now is 181.7 secs Computing kpt #: 327 total cpu time spent up to now is 182.2 secs Computing kpt #: 328 total cpu time spent up to now is 182.7 secs Computing kpt #: 329 total cpu time spent up to now is 183.1 secs Computing kpt #: 330 total cpu time spent up to now is 183.6 secs Computing kpt #: 331 total cpu time spent up to now is 184.0 secs Computing kpt #: 332 total cpu time spent up to now is 184.5 secs Computing kpt #: 333 total cpu time spent up to now is 184.9 secs Computing kpt #: 334 total cpu time spent up to now is 185.4 secs Computing kpt #: 335 total cpu time spent up to now is 185.8 secs Computing kpt #: 336 total cpu time spent up to now is 186.3 secs Computing kpt #: 337 total cpu time spent up to now is 186.7 secs Computing kpt #: 338 total cpu time spent up to now is 187.2 secs Computing kpt #: 339 total cpu time spent up to now is 187.6 secs Computing kpt #: 340 total cpu time spent up to now is 188.1 secs Computing kpt #: 341 total cpu time spent up to now is 188.6 secs Computing kpt #: 342 total cpu time spent up to now is 189.0 secs Computing kpt #: 343 total cpu time spent up to now is 189.5 secs Computing kpt #: 344 total cpu time spent up to now is 190.0 secs Computing kpt #: 345 total cpu time spent up to now is 190.5 secs Computing kpt #: 346 total cpu time spent up to now is 191.0 secs Computing kpt #: 347 total cpu time spent up to now is 191.5 secs Computing kpt #: 348 total cpu time spent up to now is 192.0 secs Computing kpt #: 349 total cpu time spent up to now is 192.5 secs Computing kpt #: 350 total cpu time spent up to now is 193.0 secs Computing kpt #: 351 total cpu time spent up to now is 193.5 secs Computing kpt #: 352 total cpu time spent up to now is 194.0 secs Computing kpt #: 353 total cpu time spent up to now is 194.5 secs Computing kpt #: 354 total cpu time spent up to now is 195.0 secs Computing kpt #: 355 total cpu time spent up to now is 195.5 secs Computing kpt #: 356 total cpu time spent up to now is 195.9 secs Computing kpt #: 357 total cpu time spent up to now is 196.4 secs Computing kpt #: 358 total cpu time spent up to now is 196.9 secs Computing kpt #: 359 total cpu time spent up to now is 197.4 secs Computing kpt #: 360 total cpu time spent up to now is 197.9 secs Computing kpt #: 361 total cpu time spent up to now is 198.3 secs Computing kpt #: 362 total cpu time spent up to now is 198.8 secs Computing kpt #: 363 total cpu time spent up to now is 199.3 secs Computing kpt #: 364 total cpu time spent up to now is 199.8 secs Computing kpt #: 365 total cpu time spent up to now is 200.2 secs Computing kpt #: 366 total cpu time spent up to now is 200.7 secs Computing kpt #: 367 total cpu time spent up to now is 201.2 secs Computing kpt #: 368 total cpu time spent up to now is 201.7 secs Computing kpt #: 369 total cpu time spent up to now is 202.2 secs Computing kpt #: 370 total cpu time spent up to now is 202.7 secs Computing kpt #: 371 total cpu time spent up to now is 203.2 secs Computing kpt #: 372 total cpu time spent up to now is 203.7 secs Computing kpt #: 373 total cpu time spent up to now is 204.2 secs Computing kpt #: 374 total cpu time spent up to now is 204.7 secs Computing kpt #: 375 total cpu time spent up to now is 205.2 secs Computing kpt #: 376 total cpu time spent up to now is 205.7 secs Computing kpt #: 377 total cpu time spent up to now is 206.1 secs Computing kpt #: 378 total cpu time spent up to now is 206.6 secs Computing kpt #: 379 total cpu time spent up to now is 207.1 secs Computing kpt #: 380 total cpu time spent up to now is 207.5 secs Computing kpt #: 381 total cpu time spent up to now is 208.0 secs Computing kpt #: 382 total cpu time spent up to now is 208.5 secs Computing kpt #: 383 total cpu time spent up to now is 209.0 secs Computing kpt #: 384 total cpu time spent up to now is 209.6 secs Computing kpt #: 385 total cpu time spent up to now is 210.2 secs Computing kpt #: 386 total cpu time spent up to now is 210.8 secs Computing kpt #: 387 total cpu time spent up to now is 211.3 secs Computing kpt #: 388 total cpu time spent up to now is 211.9 secs Computing kpt #: 389 total cpu time spent up to now is 212.4 secs Computing kpt #: 390 total cpu time spent up to now is 213.0 secs Computing kpt #: 391 total cpu time spent up to now is 213.5 secs Computing kpt #: 392 total cpu time spent up to now is 213.9 secs Computing kpt #: 393 total cpu time spent up to now is 214.5 secs Computing kpt #: 394 total cpu time spent up to now is 215.1 secs Computing kpt #: 395 total cpu time spent up to now is 215.6 secs Computing kpt #: 396 total cpu time spent up to now is 216.1 secs Computing kpt #: 397 total cpu time spent up to now is 216.7 secs Computing kpt #: 398 total cpu time spent up to now is 217.2 secs Computing kpt #: 399 total cpu time spent up to now is 217.7 secs Computing kpt #: 400 total cpu time spent up to now is 218.2 secs Computing kpt #: 401 total cpu time spent up to now is 218.7 secs Computing kpt #: 402 total cpu time spent up to now is 219.2 secs Computing kpt #: 403 total cpu time spent up to now is 219.6 secs Computing kpt #: 404 total cpu time spent up to now is 220.1 secs Computing kpt #: 405 total cpu time spent up to now is 220.6 secs Computing kpt #: 406 total cpu time spent up to now is 221.0 secs Computing kpt #: 407 total cpu time spent up to now is 221.5 secs Computing kpt #: 408 total cpu time spent up to now is 222.0 secs Computing kpt #: 409 total cpu time spent up to now is 222.5 secs Computing kpt #: 410 total cpu time spent up to now is 223.0 secs Computing kpt #: 411 total cpu time spent up to now is 223.6 secs Computing kpt #: 412 total cpu time spent up to now is 224.2 secs Computing kpt #: 413 total cpu time spent up to now is 224.8 secs Computing kpt #: 414 total cpu time spent up to now is 225.4 secs ethr = 2.08E-08, avg # of iterations = 23.0 total cpu time spent up to now is 225.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3205 PWs) bands (ev): -48.0585 -48.0585 -48.0405 -48.0405 -22.2899 -22.2899 -22.2173 -22.2173 -14.6832 -14.6832 -14.4590 -14.4590 -14.3522 -14.3522 -14.2744 -14.2744 3.8399 3.8399 3.9756 3.9756 4.3227 4.3227 4.3362 4.3362 4.8294 4.8294 4.9083 4.9083 5.1994 5.1994 5.3144 5.3144 5.3444 5.3444 5.3903 5.3903 5.7420 5.7420 7.9391 7.9391 8.5827 8.5827 12.3315 12.3315 12.5827 12.5827 13.5388 13.5388 14.5214 14.5214 15.5806 15.5806 16.2934 16.2934 16.4276 16.4276 17.9914 17.9914 k = 0.0000 0.0098-0.0000 ( 3203 PWs) bands (ev): -48.0584 -48.0584 -48.0405 -48.0405 -22.2900 -22.2900 -22.2173 -22.2173 -14.6832 -14.6832 -14.4591 -14.4591 -14.3524 -14.3524 -14.2747 -14.2747 3.8403 3.8403 3.9762 3.9762 4.3227 4.3227 4.3363 4.3363 4.8306 4.8306 4.9082 4.9082 5.1983 5.1983 5.3143 5.3143 5.3454 5.3454 5.3904 5.3904 5.7417 5.7417 7.9410 7.9410 8.5851 8.5851 12.3327 12.3327 12.5840 12.5840 13.5402 13.5402 14.5189 14.5189 15.5815 15.5815 16.2925 16.2925 16.4263 16.4263 17.9922 17.9922 k = 0.0000 0.0196-0.0000 ( 3203 PWs) bands (ev): -48.0583 -48.0583 -48.0404 -48.0404 -22.2901 -22.2901 -22.2176 -22.2176 -14.6832 -14.6832 -14.4595 -14.4595 -14.3531 -14.3531 -14.2757 -14.2757 3.8416 3.8416 3.9776 3.9776 4.3229 4.3229 4.3364 4.3364 4.8339 4.8339 4.9080 4.9080 5.1950 5.1950 5.3141 5.3141 5.3480 5.3480 5.3905 5.3905 5.7407 5.7407 7.9468 7.9468 8.5922 8.5922 12.3363 12.3363 12.5880 12.5880 13.5442 13.5442 14.5115 14.5115 15.5842 15.5842 16.2895 16.2895 16.4230 16.4230 17.9944 17.9944 k = 0.0000 0.0294-0.0000 ( 3217 PWs) bands (ev): -48.0582 -48.0582 -48.0403 -48.0403 -22.2906 -22.2906 -22.2182 -22.2182 -14.6833 -14.6833 -14.4603 -14.4603 -14.3543 -14.3543 -14.2772 -14.2772 3.8437 3.8437 3.9800 3.9800 4.3233 4.3233 4.3364 4.3364 4.8392 4.8392 4.9077 4.9077 5.1897 5.1897 5.3138 5.3138 5.3517 5.3517 5.3907 5.3907 5.7388 5.7388 7.9565 7.9565 8.6040 8.6040 12.3421 12.3421 12.5947 12.5947 13.5508 13.5508 14.4993 14.4993 15.5885 15.5885 16.2835 16.2835 16.4185 16.4185 17.9974 17.9974 k = 0.0000 0.0392-0.0000 ( 3205 PWs) bands (ev): -48.0580 -48.0580 -48.0402 -48.0402 -22.2909 -22.2909 -22.2188 -22.2188 -14.6833 -14.6833 -14.4613 -14.4613 -14.3557 -14.3557 -14.2791 -14.2791 3.8468 3.8468 3.9834 3.9834 4.3239 4.3239 4.3367 4.3367 4.8463 4.8463 4.9079 4.9079 5.1832 5.1832 5.3138 5.3138 5.3562 5.3562 5.3916 5.3916 5.7366 5.7366 7.9700 7.9700 8.6205 8.6205 12.3502 12.3502 12.6042 12.6042 13.5600 13.5600 14.4824 14.4824 15.5945 15.5945 16.2731 16.2731 16.4146 16.4146 18.0003 18.0003 k = 0.0000 0.0490-0.0000 ( 3205 PWs) bands (ev): -48.0577 -48.0577 -48.0400 -48.0400 -22.2915 -22.2915 -22.2195 -22.2195 -14.6835 -14.6835 -14.4626 -14.4626 -14.3576 -14.3576 -14.2816 -14.2816 3.8505 3.8505 3.9878 3.9878 4.3243 4.3243 4.3369 4.3369 4.8545 4.8545 4.9088 4.9088 5.1754 5.1754 5.3139 5.3139 5.3610 5.3610 5.3932 5.3932 5.7337 5.7337 7.9873 7.9873 8.6416 8.6416 12.3604 12.3604 12.6164 12.6164 13.5715 13.5715 14.4612 14.4612 15.6020 15.6020 16.2571 16.2571 16.4126 16.4126 18.0018 18.0018 k = 0.0000 0.0588-0.0000 ( 3209 PWs) bands (ev): -48.0574 -48.0574 -48.0398 -48.0398 -22.2922 -22.2922 -22.2206 -22.2206 -14.6837 -14.6837 -14.4644 -14.4644 -14.3599 -14.3599 -14.2846 -14.2846 3.8549 3.8549 3.9934 3.9934 4.3246 4.3246 4.3373 4.3373 4.8625 4.8625 4.9118 4.9118 5.1664 5.1664 5.3139 5.3139 5.3654 5.3654 5.3960 5.3960 5.7303 5.7303 8.0084 8.0084 8.6672 8.6672 12.3725 12.3725 12.6315 12.6315 13.5853 13.5853 14.4359 14.4359 15.6107 15.6107 16.2349 16.2349 16.4138 16.4138 18.0004 18.0004 k = 0.0000 0.0686-0.0000 ( 3201 PWs) bands (ev): -48.0571 -48.0571 -48.0395 -48.0395 -22.2929 -22.2929 -22.2217 -22.2217 -14.6838 -14.6838 -14.4664 -14.4664 -14.3624 -14.3624 -14.2880 -14.2880 3.8598 3.8598 4.0000 4.0000 4.3247 4.3247 4.3378 4.3378 4.8686 4.8686 4.9185 4.9185 5.1571 5.1571 5.3139 5.3139 5.3697 5.3697 5.4004 5.4004 5.7266 5.7266 8.0331 8.0331 8.6972 8.6972 12.3864 12.3864 12.6494 12.6494 13.6012 13.6012 14.4068 14.4068 15.6203 15.6203 16.2069 16.2069 16.4183 16.4183 17.9949 17.9949 k = 0.0000 0.0784-0.0000 ( 3197 PWs) bands (ev): -48.0566 -48.0566 -48.0393 -48.0393 -22.2938 -22.2938 -22.2230 -22.2230 -14.6841 -14.6841 -14.4689 -14.4689 -14.3653 -14.3653 -14.2918 -14.2918 3.8652 3.8652 4.0078 4.0078 4.3245 4.3245 4.3383 4.3383 4.8713 4.8713 4.9300 4.9300 5.1472 5.1472 5.3133 5.3133 5.3740 5.3740 5.4063 5.4063 5.7226 5.7226 8.0613 8.0613 8.7316 8.7316 12.4019 12.4019 12.6703 12.6703 13.6188 13.6188 14.3745 14.3745 15.6301 15.6301 16.1741 16.1741 16.4259 16.4259 17.9843 17.9843 k = 0.0000 0.0882-0.0000 ( 3193 PWs) bands (ev): -48.0562 -48.0562 -48.0389 -48.0389 -22.2947 -22.2947 -22.2245 -22.2245 -14.6845 -14.6845 -14.4719 -14.4719 -14.3685 -14.3685 -14.2959 -14.2959 3.8710 3.8710 4.0168 4.0168 4.3241 4.3241 4.3387 4.3387 4.8711 4.8711 4.9454 4.9454 5.1374 5.1374 5.3120 5.3120 5.3789 5.3789 5.4135 5.4135 5.7184 5.7184 8.0931 8.0931 8.7702 8.7702 12.4188 12.4188 12.6940 12.6940 13.6378 13.6378 14.3395 14.3395 15.6391 15.6391 16.1383 16.1383 16.4362 16.4362 17.9681 17.9681 k = 0.0000 0.0980-0.0000 ( 3191 PWs) bands (ev): -48.0556 -48.0556 -48.0386 -48.0386 -22.2957 -22.2957 -22.2262 -22.2262 -14.6849 -14.6849 -14.4753 -14.4753 -14.3719 -14.3719 -14.3004 -14.3004 3.8769 3.8769 4.0268 4.0268 4.3233 4.3233 4.3391 4.3391 4.8688 4.8688 4.9632 4.9632 5.1282 5.1282 5.3099 5.3099 5.3848 5.3848 5.4220 5.4220 5.7143 5.7143 8.1284 8.1284 8.8129 8.8129 12.4369 12.4369 12.7207 12.7207 13.6577 13.6577 14.3024 14.3024 15.6457 15.6457 16.1017 16.1017 16.4486 16.4486 17.9463 17.9463 k = 0.0000 0.1078-0.0000 ( 3197 PWs) bands (ev): -48.0551 -48.0551 -48.0382 -48.0382 -22.2970 -22.2970 -22.2281 -22.2281 -14.6857 -14.6857 -14.4792 -14.4792 -14.3755 -14.3755 -14.3050 -14.3050 3.8830 3.8830 4.0380 4.0380 4.3223 4.3223 4.3390 4.3390 4.8652 4.8652 4.9814 4.9814 5.1204 5.1204 5.3067 5.3067 5.3920 5.3920 5.4321 5.4321 5.7103 5.7103 8.1669 8.1669 8.8595 8.8595 12.4561 12.4561 12.7500 12.7500 13.6779 13.6779 14.2640 14.2640 15.6475 15.6475 16.0672 16.0672 16.4630 16.4630 17.9188 17.9188 k = 0.0000 0.1176-0.0000 ( 3199 PWs) bands (ev): -48.0545 -48.0545 -48.0378 -48.0378 -22.2983 -22.2983 -22.2301 -22.2301 -14.6864 -14.6864 -14.4836 -14.4836 -14.3794 -14.3794 -14.3098 -14.3098 3.8892 3.8892 4.0503 4.0503 4.3212 4.3212 4.3387 4.3387 4.8608 4.8608 4.9979 4.9979 5.1155 5.1155 5.3027 5.3027 5.4001 5.4001 5.4443 5.4443 5.7068 5.7068 8.2086 8.2086 8.9100 8.9100 12.4764 12.4764 12.7820 12.7820 13.6974 13.6974 14.2253 14.2253 15.6408 15.6408 16.0388 16.0388 16.4790 16.4790 17.8860 17.8860 k = 0.0000 0.1275-0.0000 ( 3197 PWs) bands (ev): -48.0538 -48.0538 -48.0373 -48.0373 -22.2996 -22.2996 -22.2323 -22.2323 -14.6874 -14.6874 -14.4886 -14.4886 -14.3833 -14.3833 -14.3146 -14.3146 3.8955 3.8955 4.0637 4.0637 4.3198 4.3198 4.3382 4.3382 4.8557 4.8557 5.0100 5.0100 5.1156 5.1156 5.2978 5.2978 5.4087 5.4087 5.4594 5.4594 5.7040 5.7040 8.2535 8.2535 8.9641 8.9641 12.4975 12.4975 12.8163 12.8163 13.7149 13.7149 14.1878 14.1878 15.6219 15.6219 16.0206 16.0206 16.4963 16.4963 17.8483 17.8483 k = 0.0000 0.1373-0.0000 ( 3201 PWs) bands (ev): -48.0531 -48.0531 -48.0369 -48.0369 -22.3010 -22.3010 -22.2347 -22.2347 -14.6886 -14.6886 -14.4942 -14.4942 -14.3874 -14.3874 -14.3194 -14.3194 3.9016 3.9016 4.0778 4.0778 4.3183 4.3183 4.3373 4.3373 4.8500 4.8500 5.0154 5.0154 5.1220 5.1220 5.2922 5.2922 5.4172 5.4172 5.4782 5.4782 5.7024 5.7024 8.3013 8.3013 9.0217 9.0217 12.5194 12.5194 12.8527 12.8527 13.7287 13.7287 14.1533 14.1533 15.5882 15.5882 16.0155 16.0155 16.5148 16.5148 17.8060 17.8060 k = 0.0000 0.1471-0.0000 ( 3195 PWs) bands (ev): -48.0524 -48.0524 -48.0364 -48.0364 -22.3025 -22.3025 -22.2371 -22.2371 -14.6899 -14.6899 -14.5002 -14.5002 -14.3916 -14.3916 -14.3240 -14.3240 3.9076 3.9076 4.0928 4.0928 4.3167 4.3167 4.3362 4.3362 4.8441 4.8441 5.0142 5.0142 5.1342 5.1342 5.2861 5.2861 5.4253 5.4253 5.5010 5.5010 5.7030 5.7030 8.3520 8.3520 9.0827 9.0827 12.5420 12.5420 12.8908 12.8908 13.7362 13.7362 14.1243 14.1243 15.5396 15.5396 16.0234 16.0234 16.5342 16.5342 17.7597 17.7597 k = 0.0000 0.1569-0.0000 ( 3193 PWs) bands (ev): -48.0516 -48.0516 -48.0358 -48.0358 -22.3040 -22.3040 -22.2397 -22.2397 -14.6916 -14.6916 -14.5069 -14.5069 -14.3958 -14.3958 -14.3285 -14.3285 3.9135 3.9135 4.1083 4.1083 4.3149 4.3149 4.3348 4.3348 4.8378 4.8378 5.0086 5.0086 5.1495 5.1495 5.2794 5.2794 5.4329 5.4329 5.5268 5.5268 5.7070 5.7070 8.4054 8.4054 9.1468 9.1468 12.5653 12.5653 12.9302 12.9302 13.7348 13.7348 14.1036 14.1036 15.4779 15.4779 16.0426 16.0426 16.5544 16.5544 17.7097 17.7097 k = 0.0000 0.1667-0.0000 ( 3191 PWs) bands (ev): -48.0508 -48.0508 -48.0353 -48.0353 -22.3056 -22.3056 -22.2424 -22.2424 -14.6936 -14.6936 -14.5141 -14.5141 -14.4000 -14.4000 -14.3327 -14.3327 3.9191 3.9191 4.1241 4.1241 4.3130 4.3130 4.3332 4.3332 4.8315 4.8315 5.0004 5.0004 5.1655 5.1655 5.2722 5.2722 5.4400 5.4400 5.5536 5.5536 5.7170 5.7170 8.4615 8.4615 9.2140 9.2140 12.5892 12.5892 12.9704 12.9704 13.7223 13.7223 14.0933 14.0933 15.4056 15.4056 16.0707 16.0707 16.5750 16.5750 17.6566 17.6566 k = 0.0000 0.1765-0.0000 ( 3183 PWs) bands (ev): -48.0499 -48.0499 -48.0347 -48.0347 -22.3072 -22.3072 -22.2451 -22.2451 -14.6958 -14.6958 -14.5219 -14.5219 -14.4042 -14.4042 -14.3366 -14.3366 3.9246 3.9246 4.1399 4.1399 4.3111 4.3111 4.3315 4.3315 4.8253 4.8253 4.9911 4.9911 5.1808 5.1808 5.2649 5.2649 5.4466 5.4466 5.5776 5.5776 5.7367 5.7367 8.5201 8.5201 9.2840 9.2840 12.6137 12.6137 13.0110 13.0110 13.6985 13.6985 14.0935 14.0935 15.3242 15.3242 16.1058 16.1058 16.5957 16.5957 17.6007 17.6007 k = 0.0000 0.1863-0.0000 ( 3183 PWs) bands (ev): -48.0491 -48.0491 -48.0342 -48.0342 -22.3089 -22.3089 -22.2481 -22.2481 -14.6983 -14.6983 -14.5302 -14.5302 -14.4083 -14.4083 -14.3403 -14.3403 3.9299 3.9299 4.1555 4.1555 4.3090 4.3090 4.3299 4.3299 4.8191 4.8191 4.9812 4.9812 5.1946 5.1946 5.2573 5.2573 5.4528 5.4528 5.5953 5.5953 5.7694 5.7694 8.5810 8.5810 9.3566 9.3566 12.6385 12.6385 13.0512 13.0512 13.6650 13.6650 14.1027 14.1027 15.2349 15.2349 16.1463 16.1463 16.6164 16.6164 17.5425 17.5425 k = 0.0000 0.1961-0.0000 ( 3179 PWs) bands (ev): -48.0482 -48.0482 -48.0336 -48.0336 -22.3106 -22.3106 -22.2511 -22.2511 -14.7013 -14.7013 -14.5390 -14.5390 -14.4123 -14.4123 -14.3436 -14.3436 3.9349 3.9349 4.1704 4.1704 4.3067 4.3067 4.3285 4.3285 4.8133 4.8133 4.9712 4.9712 5.2066 5.2066 5.2499 5.2499 5.4588 5.4588 5.6062 5.6062 5.8156 5.8156 8.6442 8.6442 9.4317 9.4317 12.6638 12.6638 13.0905 13.0905 13.6244 13.6244 14.1182 14.1182 15.1385 15.1385 16.1914 16.1914 16.6367 16.6367 17.4824 17.4824 k = 0.0000 0.2059-0.0000 ( 3179 PWs) bands (ev): -48.0472 -48.0472 -48.0330 -48.0330 -22.3124 -22.3124 -22.2542 -22.2542 -14.7045 -14.7045 -14.5484 -14.5484 -14.4161 -14.4161 -14.3466 -14.3466 3.9397 3.9397 4.1843 4.1843 4.3043 4.3043 4.3275 4.3275 4.8081 4.8081 4.9612 4.9612 5.2156 5.2156 5.2438 5.2438 5.4645 5.4645 5.6119 5.6119 5.8730 5.8730 8.7096 8.7096 9.5090 9.5090 12.6892 12.6892 13.1280 13.1280 13.5790 13.5790 14.1378 14.1378 15.0354 15.0354 16.2400 16.2400 16.6562 16.6562 17.4210 17.4210 k = 0.0000 0.2157-0.0000 ( 3179 PWs) bands (ev): -48.0463 -48.0463 -48.0324 -48.0324 -22.3141 -22.3141 -22.2574 -22.2574 -14.7081 -14.7081 -14.5581 -14.5581 -14.4197 -14.4197 -14.3494 -14.3494 3.9441 3.9441 4.1966 4.1966 4.3017 4.3017 4.3273 4.3273 4.8036 4.8036 4.9517 4.9517 5.2186 5.2186 5.2422 5.2422 5.4700 5.4700 5.6146 5.6146 5.9393 5.9393 8.7769 8.7769 9.5884 9.5884 12.7147 12.7147 13.1630 13.1630 13.5308 13.5308 14.1596 14.1596 14.9259 14.9259 16.2916 16.2916 16.6745 16.6745 17.3586 17.3586 k = 0.0000 0.2255-0.0000 ( 3183 PWs) bands (ev): -48.0454 -48.0454 -48.0318 -48.0318 -22.3159 -22.3159 -22.2607 -22.2607 -14.7122 -14.7122 -14.5683 -14.5683 -14.4229 -14.4229 -14.3520 -14.3520 3.9482 3.9482 4.2069 4.2069 4.2990 4.2990 4.3281 4.3281 4.8001 4.8001 4.9427 4.9427 5.2142 5.2142 5.2466 5.2466 5.4753 5.4753 5.6154 5.6154 6.0128 6.0128 8.8461 8.8461 9.6696 9.6696 12.7399 12.7399 13.1943 13.1943 13.4813 13.4813 14.1822 14.1822 14.8106 14.8106 16.3452 16.3452 16.6913 16.6913 17.2958 17.2958 k = 0.0000 0.2353-0.0000 ( 3177 PWs) bands (ev): -48.0444 -48.0444 -48.0312 -48.0312 -22.3176 -22.3176 -22.2640 -22.2640 -14.7164 -14.7164 -14.5787 -14.5787 -14.4258 -14.4258 -14.3542 -14.3542 3.9520 3.9520 4.2147 4.2147 4.2964 4.2964 4.3302 4.3302 4.7978 4.7978 4.9345 4.9345 5.2065 5.2065 5.2534 5.2534 5.4806 5.4806 5.6151 5.6151 6.0924 6.0924 8.9171 8.9171 9.7523 9.7523 12.7645 12.7645 13.2203 13.2203 13.4324 13.4324 14.2045 14.2045 14.6901 14.6901 16.3999 16.3999 16.7063 16.7063 17.2333 17.2333 k = 0.0000 0.2451-0.0000 ( 3173 PWs) bands (ev): -48.0434 -48.0434 -48.0305 -48.0305 -22.3194 -22.3194 -22.2674 -22.2674 -14.7210 -14.7210 -14.5894 -14.5894 -14.4283 -14.4283 -14.3563 -14.3563 3.9555 3.9555 4.2199 4.2199 4.2939 4.2939 4.3332 4.3332 4.7967 4.7967 4.9270 4.9270 5.1976 5.1976 5.2604 5.2604 5.4857 5.4857 5.6144 5.6144 6.1775 6.1775 8.9897 8.9897 9.8364 9.8364 12.7879 12.7879 13.2380 13.2380 13.3870 13.3870 14.2255 14.2255 14.5658 14.5658 16.4546 16.4546 16.7195 16.7195 17.1717 17.1717 k = 0.0000 0.2549-0.0000 ( 3169 PWs) bands (ev): -48.0424 -48.0424 -48.0299 -48.0299 -22.3212 -22.3212 -22.2707 -22.2707 -14.7259 -14.7259 -14.6003 -14.6003 -14.4304 -14.4304 -14.3582 -14.3582 3.9586 3.9586 4.2225 4.2225 4.2915 4.2915 4.3370 4.3370 4.7969 4.7969 4.9205 4.9205 5.1882 5.1882 5.2670 5.2670 5.4907 5.4907 5.6132 5.6132 6.2676 6.2676 9.0638 9.0638 9.9215 9.9215 12.8094 12.8094 13.2406 13.2406 13.3518 13.3518 14.2432 14.2432 14.4401 14.4401 16.5072 16.5072 16.7313 16.7313 17.1116 17.1116 k = 0.0000 0.2647-0.0000 ( 3179 PWs) bands (ev): -48.0414 -48.0414 -48.0294 -48.0294 -22.3231 -22.3231 -22.2742 -22.2742 -14.7312 -14.7312 -14.6114 -14.6114 -14.4322 -14.4322 -14.3599 -14.3599 3.9612 3.9612 4.2222 4.2222 4.2894 4.2894 4.3411 4.3411 4.7983 4.7983 4.9153 4.9153 5.1784 5.1784 5.2732 5.2732 5.4955 5.4955 5.6118 5.6118 6.3623 6.3623 9.1392 9.1392 10.0074 10.0074 12.8276 12.8276 13.2199 13.2199 13.3343 13.3343 14.2457 14.2457 14.3265 14.3265 16.5548 16.5548 16.7433 16.7433 17.0535 17.0535 k = 0.0000 0.2745-0.0000 ( 3183 PWs) bands (ev): -48.0404 -48.0404 -48.0288 -48.0288 -22.3248 -22.3248 -22.2776 -22.2776 -14.7366 -14.7366 -14.6227 -14.6227 -14.4336 -14.4336 -14.3616 -14.3616 3.9636 3.9636 4.2198 4.2198 4.2879 4.2879 4.3450 4.3450 4.8007 4.8007 4.9116 4.9116 5.1685 5.1685 5.2790 5.2790 5.5003 5.5003 5.6103 5.6103 6.4614 6.4614 9.2160 9.2160 10.0938 10.0938 12.8409 12.8409 13.1819 13.1819 13.3286 13.3286 14.1631 14.1631 14.2975 14.2975 16.5929 16.5929 16.7585 16.7585 16.9979 16.9979 k = 0.0000 0.2843-0.0000 ( 3187 PWs) bands (ev): -48.0394 -48.0394 -48.0282 -48.0282 -22.3265 -22.3265 -22.2811 -22.2811 -14.7422 -14.7422 -14.6341 -14.6341 -14.4345 -14.4345 -14.3631 -14.3631 3.9657 3.9657 4.2155 4.2155 4.2868 4.2868 4.3484 4.3484 4.8040 4.8040 4.9097 4.9097 5.1586 5.1586 5.2843 5.2843 5.5048 5.5048 5.6086 5.6086 6.5647 6.5647 9.2938 9.2938 10.1803 10.1803 12.8462 12.8462 13.1372 13.1372 13.3239 13.3239 14.0451 14.0451 14.3064 14.3064 16.6163 16.6163 16.7796 16.7796 16.9459 16.9459 k = 0.0000 0.2941-0.0000 ( 3191 PWs) bands (ev): -48.0385 -48.0385 -48.0277 -48.0277 -22.3282 -22.3282 -22.2846 -22.2846 -14.7479 -14.7479 -14.6454 -14.6454 -14.4350 -14.4350 -14.3647 -14.3647 3.9675 3.9675 4.2098 4.2098 4.2861 4.2861 4.3512 4.3512 4.8076 4.8076 4.9100 4.9100 5.1488 5.1488 5.2893 5.2893 5.5092 5.5092 5.6067 5.6067 6.6721 6.6721 9.3727 9.3727 10.2665 10.2665 12.8394 12.8394 13.0904 13.0904 13.3157 13.3157 13.9329 13.9329 14.3165 14.3165 16.6240 16.6240 16.8019 16.8019 16.9023 16.9023 k = 0.0000 0.3039-0.0000 ( 3191 PWs) bands (ev): -48.0375 -48.0375 -48.0271 -48.0271 -22.3298 -22.3298 -22.2880 -22.2880 -14.7536 -14.7536 -14.6566 -14.6566 -14.4352 -14.4352 -14.3661 -14.3661 3.9691 3.9691 4.2028 4.2028 4.2859 4.2859 4.3531 4.3531 4.8110 4.8110 4.9127 4.9127 5.1392 5.1392 5.2938 5.2938 5.5134 5.5134 5.6049 5.6049 6.7833 6.7833 9.4525 9.4525 10.3521 10.3521 12.8150 12.8150 13.0422 13.0422 13.3050 13.3050 13.8344 13.8344 14.3248 14.3248 16.6194 16.6194 16.8006 16.8006 16.8878 16.8878 k = 0.0000 0.3137-0.0000 ( 3187 PWs) bands (ev): -48.0365 -48.0365 -48.0266 -48.0266 -22.3312 -22.3312 -22.2914 -22.2914 -14.7592 -14.7592 -14.6678 -14.6678 -14.4350 -14.4350 -14.3675 -14.3675 3.9704 3.9704 4.1949 4.1949 4.2860 4.2860 4.3541 4.3541 4.8139 4.8139 4.9179 4.9179 5.1300 5.1300 5.2982 5.2982 5.5174 5.5174 5.6030 5.6030 6.8982 6.8982 9.5330 9.5330 10.4365 10.4365 12.7670 12.7670 12.9925 12.9925 13.2953 13.2953 13.7536 13.7536 14.3305 14.3305 16.6063 16.6063 16.7654 16.7654 16.9079 16.9079 k = 0.0000 0.3235-0.0000 ( 3185 PWs) bands (ev): -48.0356 -48.0356 -48.0261 -48.0261 -22.3327 -22.3327 -22.2947 -22.2947 -14.7649 -14.7649 -14.6787 -14.6787 -14.4345 -14.4345 -14.3688 -14.3688 3.9715 3.9715 4.1861 4.1861 4.2864 4.2864 4.3542 4.3542 4.8162 4.8162 4.9254 4.9254 5.1213 5.1213 5.3021 5.3021 5.5212 5.5212 5.6010 5.6010 7.0168 7.0168 9.6140 9.6140 10.5193 10.5193 12.6911 12.6911 12.9422 12.9422 13.2910 13.2910 13.6907 13.6907 14.3332 14.3332 16.5876 16.5876 16.7211 16.7211 16.9352 16.9352 k = 0.0000 0.3333-0.0000 ( 3185 PWs) bands (ev): -48.0346 -48.0346 -48.0257 -48.0257 -22.3341 -22.3341 -22.2980 -22.2980 -14.7704 -14.7704 -14.6895 -14.6895 -14.4338 -14.4338 -14.3701 -14.3701 3.9725 3.9725 4.1767 4.1767 4.2871 4.2871 4.3536 4.3536 4.8179 4.8179 4.9345 4.9345 5.1135 5.1135 5.3056 5.3056 5.5248 5.5248 5.5991 5.5991 7.1390 7.1390 9.6955 9.6955 10.5999 10.5999 12.5869 12.5869 12.8941 12.8941 13.2935 13.2935 13.6432 13.6432 14.3328 14.3328 16.5651 16.5651 16.6760 16.6760 16.9599 16.9599 k = 0.0000 0.3431-0.0000 ( 3181 PWs) bands (ev): -48.0337 -48.0337 -48.0252 -48.0252 -22.3353 -22.3353 -22.3012 -22.3012 -14.7758 -14.7758 -14.7000 -14.7000 -14.4327 -14.4327 -14.3715 -14.3715 3.9734 3.9734 4.1669 4.1669 4.2881 4.2881 4.3524 4.3524 4.8193 4.8193 4.9444 4.9444 5.1070 5.1070 5.3086 5.3086 5.5281 5.5281 5.5970 5.5970 7.2646 7.2646 9.7773 9.7773 10.6776 10.6776 12.4590 12.4590 12.8497 12.8497 13.3016 13.3016 13.6074 13.6074 14.3292 14.3292 16.5399 16.5399 16.6317 16.6317 16.9798 16.9798 k = 0.0000 0.3529-0.0000 ( 3181 PWs) bands (ev): -48.0328 -48.0328 -48.0248 -48.0248 -22.3364 -22.3364 -22.3043 -22.3043 -14.7810 -14.7810 -14.7102 -14.7102 -14.4314 -14.4314 -14.3729 -14.3729 3.9743 3.9743 4.1567 4.1567 4.2891 4.2891 4.3507 4.3507 4.8205 4.8205 4.9541 4.9541 5.1024 5.1024 5.3112 5.3112 5.5311 5.5311 5.5950 5.5950 7.3936 7.3936 9.8592 9.8592 10.7517 10.7517 12.3136 12.3136 12.8096 12.8096 13.3121 13.3121 13.5807 13.5807 14.3224 14.3224 16.5133 16.5133 16.5892 16.5892 16.9946 16.9946 k = 0.0000 0.3627-0.0000 ( 3177 PWs) bands (ev): -48.0319 -48.0319 -48.0244 -48.0244 -22.3375 -22.3375 -22.3073 -22.3073 -14.7859 -14.7859 -14.7200 -14.7200 -14.4299 -14.4299 -14.3743 -14.3743 3.9752 3.9752 4.1464 4.1464 4.2904 4.2904 4.3486 4.3486 4.8218 4.8218 4.9624 4.9624 5.1003 5.1003 5.3134 5.3134 5.5339 5.5339 5.5928 5.5928 7.5259 7.5259 9.9411 9.9411 10.8212 10.8212 12.1561 12.1561 12.7739 12.7739 13.3217 13.3217 13.5623 13.5623 14.3125 14.3125 16.4859 16.4859 16.5485 16.5485 17.0045 17.0045 k = 0.0000 0.3725-0.0000 ( 3181 PWs) bands (ev): -48.0311 -48.0311 -48.0241 -48.0241 -22.3385 -22.3385 -22.3104 -22.3104 -14.7905 -14.7905 -14.7296 -14.7296 -14.4283 -14.4283 -14.3757 -14.3757 3.9762 3.9762 4.1358 4.1358 4.2917 4.2917 4.3461 4.3461 4.8233 4.8233 4.9683 4.9683 5.1015 5.1015 5.3149 5.3149 5.5364 5.5364 5.5906 5.5906 7.6614 7.6614 10.0226 10.0226 10.8854 10.8854 11.9905 11.9905 12.7429 12.7429 13.3266 13.3266 13.5528 13.5528 14.2994 14.2994 16.4584 16.4584 16.5101 16.5101 17.0101 17.0101 k = 0.0000 0.3824-0.0000 ( 3191 PWs) bands (ev): -48.0303 -48.0303 -48.0238 -48.0238 -22.3394 -22.3394 -22.3134 -22.3134 -14.7949 -14.7949 -14.7388 -14.7388 -14.4265 -14.4265 -14.3773 -14.3773 3.9772 3.9772 4.1251 4.1251 4.2930 4.2930 4.3434 4.3434 4.8251 4.8251 4.9709 4.9709 5.1064 5.1064 5.3158 5.3158 5.5386 5.5386 5.5884 5.5884 7.8001 7.8001 10.1037 10.1037 10.9431 10.9431 11.8195 11.8195 12.7173 12.7173 13.3237 13.3237 13.5535 13.5535 14.2832 14.2832 16.4314 16.4314 16.4740 16.4740 17.0120 17.0120 k = 0.0000 0.3922-0.0000 ( 3187 PWs) bands (ev): -48.0295 -48.0295 -48.0236 -48.0236 -22.3400 -22.3400 -22.3161 -22.3161 -14.7987 -14.7987 -14.7475 -14.7475 -14.4246 -14.4246 -14.3788 -14.3788 3.9787 3.9787 4.1147 4.1147 4.2945 4.2945 4.3407 4.3407 4.8275 4.8275 4.9704 4.9704 5.1148 5.1148 5.3161 5.3161 5.5406 5.5406 5.5862 5.5862 7.9419 7.9419 10.1841 10.1841 10.9931 10.9931 11.6454 11.6454 12.6974 12.6974 13.3117 13.3117 13.5642 13.5642 14.2642 14.2642 16.4053 16.4053 16.4404 16.4404 17.0110 17.0110 k = 0.0000 0.4020-0.0000 ( 3181 PWs) bands (ev): -48.0288 -48.0288 -48.0233 -48.0233 -22.3405 -22.3405 -22.3187 -22.3187 -14.8022 -14.8022 -14.7557 -14.7557 -14.4225 -14.4225 -14.3804 -14.3804 3.9803 3.9803 4.1043 4.1043 4.2960 4.2960 4.3379 4.3379 4.8304 4.8304 4.9673 4.9673 5.1261 5.1261 5.3158 5.3158 5.5426 5.5426 5.5839 5.5839 8.0867 8.0867 10.2635 10.2635 11.0339 11.0339 11.4699 11.4699 12.6841 12.6841 13.2918 13.2918 13.5832 13.5832 14.2423 14.2423 16.3806 16.3806 16.4095 16.4095 17.0077 17.0077 k = 0.0000 0.4118-0.0000 ( 3179 PWs) bands (ev): -48.0281 -48.0281 -48.0232 -48.0232 -22.3409 -22.3409 -22.3212 -22.3212 -14.8051 -14.8051 -14.7634 -14.7634 -14.4204 -14.4204 -14.3821 -14.3821 3.9822 3.9822 4.0941 4.0941 4.2976 4.2976 4.3351 4.3351 4.8339 4.8339 4.9620 4.9620 5.1393 5.1393 5.3147 5.3147 5.5444 5.5444 5.5817 5.5817 8.2344 8.2344 10.3415 10.3415 11.0619 11.0619 11.2970 11.2970 12.6777 12.6777 13.2655 13.2655 13.6080 13.6080 14.2179 14.2179 16.3575 16.3575 16.3811 16.3811 17.0029 17.0029 k = 0.0000 0.4216-0.0000 ( 3175 PWs) bands (ev): -48.0274 -48.0274 -48.0230 -48.0230 -22.3411 -22.3411 -22.3236 -22.3236 -14.8076 -14.8076 -14.7707 -14.7707 -14.4181 -14.4181 -14.3838 -14.3838 3.9845 3.9845 4.0841 4.0841 4.2992 4.2992 4.3324 4.3324 4.8379 4.8379 4.9554 4.9554 5.1535 5.1535 5.3127 5.3127 5.5461 5.5461 5.5794 5.5794 8.3849 8.3849 10.4177 10.4177 11.0502 11.0502 11.1536 11.1536 12.6787 12.6787 13.2346 13.2346 13.6370 13.6370 14.1911 14.1911 16.3363 16.3363 16.3556 16.3556 16.9971 16.9971 k = 0.0000 0.4314-0.0000 ( 3175 PWs) bands (ev): -48.0268 -48.0268 -48.0229 -48.0229 -22.3412 -22.3412 -22.3259 -22.3259 -14.8097 -14.8097 -14.7774 -14.7774 -14.4158 -14.4158 -14.3856 -14.3856 3.9871 3.9871 4.0745 4.0745 4.3008 4.3008 4.3296 4.3296 4.8425 4.8425 4.9479 4.9479 5.1683 5.1683 5.3098 5.3098 5.5477 5.5477 5.5771 5.5771 8.5382 8.5382 10.4908 10.4908 10.9149 10.9149 11.1249 11.1249 12.6872 12.6872 13.2000 13.2000 13.6686 13.6686 14.1622 14.1622 16.3173 16.3173 16.3328 16.3328 16.9912 16.9912 k = 0.0000 0.4412-0.0000 ( 3177 PWs) bands (ev): -48.0262 -48.0262 -48.0229 -48.0229 -22.3413 -22.3413 -22.3280 -22.3280 -14.8112 -14.8112 -14.7835 -14.7835 -14.4136 -14.4136 -14.3874 -14.3874 3.9901 3.9901 4.0652 4.0652 4.3024 4.3024 4.3269 4.3269 4.8477 4.8477 4.9397 4.9397 5.1832 5.1832 5.3059 5.3059 5.5494 5.5494 5.5747 5.5747 8.6942 8.6942 10.5554 10.5554 10.7502 10.7502 11.1221 11.1221 12.7029 12.7029 13.1625 13.1625 13.7022 13.7022 14.1314 14.1314 16.3006 16.3006 16.3130 16.3130 16.9857 16.9857 k = 0.0000 0.4510-0.0000 ( 3177 PWs) bands (ev): -48.0256 -48.0256 -48.0229 -48.0229 -22.3411 -22.3411 -22.3300 -22.3300 -14.8122 -14.8122 -14.7891 -14.7891 -14.4113 -14.4113 -14.3893 -14.3893 3.9936 3.9936 4.0563 4.0563 4.3040 4.3040 4.3244 4.3244 4.8533 4.8533 4.9312 4.9312 5.1979 5.1979 5.3011 5.3011 5.5511 5.5511 5.5724 5.5724 8.8528 8.8528 10.5319 10.5319 10.6679 10.6679 11.1132 11.1132 12.7253 12.7253 13.1228 13.1228 13.7371 13.7371 14.0989 14.0989 16.2863 16.2863 16.2960 16.2960 16.9814 16.9814 k = 0.0000 0.4608-0.0000 ( 3169 PWs) bands (ev): -48.0252 -48.0252 -48.0230 -48.0230 -22.3406 -22.3406 -22.3318 -22.3318 -14.8125 -14.8125 -14.7941 -14.7941 -14.4089 -14.4089 -14.3913 -14.3913 3.9977 3.9977 4.0478 4.0478 4.3058 4.3058 4.3219 4.3219 4.8596 4.8596 4.9226 4.9226 5.2121 5.2121 5.2953 5.2953 5.5529 5.5529 5.5701 5.5701 9.0139 9.0139 10.3719 10.3719 10.7192 10.7192 11.0960 11.0960 12.7537 12.7537 13.0813 13.0813 13.7730 13.7730 14.0650 14.0650 16.2746 16.2746 16.2819 16.2819 16.9788 16.9788 k = 0.0000 0.4706-0.0000 ( 3163 PWs) bands (ev): -48.0247 -48.0247 -48.0231 -48.0231 -22.3400 -22.3400 -22.3334 -22.3334 -14.8122 -14.8122 -14.7985 -14.7985 -14.4066 -14.4066 -14.3933 -14.3933 4.0023 4.0023 4.0399 4.0399 4.3075 4.3075 4.3196 4.3196 4.8663 4.8663 4.9140 4.9140 5.2258 5.2258 5.2885 5.2885 5.5548 5.5548 5.5678 5.5678 9.1773 9.1773 10.1989 10.1989 10.7810 10.7810 11.0703 11.0703 12.7871 12.7871 13.0385 13.0385 13.8095 13.8095 14.0301 14.0301 16.2655 16.2655 16.2708 16.2708 16.9783 16.9783 k = 0.0000 0.4804-0.0000 ( 3166 PWs) bands (ev): -48.0243 -48.0243 -48.0232 -48.0232 -22.3394 -22.3394 -22.3349 -22.3349 -14.8115 -14.8115 -14.8023 -14.8023 -14.4043 -14.4043 -14.3954 -14.3954 4.0072 4.0072 4.0323 4.0323 4.3093 4.3093 4.3173 4.3173 4.8734 4.8734 4.9054 4.9054 5.2385 5.2385 5.2806 5.2806 5.5567 5.5567 5.5654 5.5654 9.3430 9.3430 10.0251 10.0251 10.8412 10.8412 11.0369 11.0369 12.8245 12.8245 12.9948 12.9948 13.8464 13.8464 13.9942 13.9942 16.2592 16.2592 16.2626 16.2626 16.9802 16.9802 k = 0.0000 0.4902-0.0000 ( 3166 PWs) bands (ev): -48.0240 -48.0240 -48.0234 -48.0234 -22.3385 -22.3385 -22.3363 -22.3363 -14.8101 -14.8101 -14.8055 -14.8055 -14.4020 -14.4020 -14.3976 -14.3976 4.0127 4.0127 4.0253 4.0253 4.3112 4.3112 4.3152 4.3152 4.8809 4.8809 4.8970 4.8970 5.2505 5.2505 5.2716 5.2716 5.5587 5.5587 5.5631 5.5631 9.5108 9.5108 9.8521 9.8521 10.8978 10.8978 10.9965 10.9965 12.8649 12.8649 12.9508 12.9508 13.8836 13.8836 13.9577 13.9577 16.2557 16.2557 16.2574 16.2574 16.9849 16.9849 k = 0.0000 0.5000-0.0000 ( 3164 PWs) bands (ev): -48.0237 -48.0237 -48.0237 -48.0237 -22.3375 -22.3375 -22.3375 -22.3375 -14.8081 -14.8081 -14.8081 -14.8081 -14.3998 -14.3998 -14.3998 -14.3998 4.0187 4.0187 4.0187 4.0187 4.3132 4.3132 4.3132 4.3132 4.8888 4.8888 4.8888 4.8888 5.2616 5.2616 5.2616 5.2616 5.5609 5.5609 5.5609 5.5609 9.6806 9.6806 9.6806 9.6806 10.9498 10.9498 10.9498 10.9498 12.9073 12.9073 12.9073 12.9073 13.9207 13.9207 13.9207 13.9207 16.2551 16.2551 16.2551 16.2551 16.9924 16.9924 k = 0.0000 0.5000-0.0000 ( 3164 PWs) bands (ev): -48.0237 -48.0237 -48.0237 -48.0237 -22.3375 -22.3375 -22.3375 -22.3375 -14.8081 -14.8081 -14.8081 -14.8081 -14.3998 -14.3998 -14.3998 -14.3998 4.0187 4.0187 4.0187 4.0187 4.3132 4.3132 4.3132 4.3132 4.8888 4.8888 4.8888 4.8888 5.2616 5.2616 5.2616 5.2616 5.5609 5.5609 5.5609 5.5609 9.6806 9.6806 9.6806 9.6806 10.9498 10.9498 10.9498 10.9498 12.9073 12.9073 12.9073 12.9073 13.9207 13.9207 13.9207 13.9207 16.2551 16.2551 16.2551 16.2551 16.9924 16.9924 k = 0.0098 0.5000-0.0000 ( 3164 PWs) bands (ev): -48.0236 -48.0236 -48.0236 -48.0236 -22.3376 -22.3376 -22.3375 -22.3375 -14.8085 -14.8085 -14.8076 -14.8076 -14.4007 -14.4007 -14.3996 -14.3996 4.0170 4.0170 4.0213 4.0213 4.3129 4.3129 4.3131 4.3131 4.8837 4.8837 4.8934 4.8934 5.2606 5.2606 5.2633 5.2633 5.5559 5.5559 5.5649 5.5649 9.6812 9.6812 9.6835 9.6835 10.9508 10.9508 10.9527 10.9527 12.9058 12.9058 12.9099 12.9099 13.9182 13.9182 13.9235 13.9235 16.2444 16.2444 16.2591 16.2591 16.9814 16.9814 k = 0.0196 0.5000-0.0000 ( 3160 PWs) bands (ev): -48.0236 -48.0236 -48.0236 -48.0236 -22.3378 -22.3378 -22.3377 -22.3377 -14.8087 -14.8087 -14.8070 -14.8070 -14.4022 -14.4022 -14.4000 -14.4000 4.0161 4.0161 4.0246 4.0246 4.3124 4.3124 4.3126 4.3126 4.8779 4.8779 4.8975 4.8975 5.2604 5.2604 5.2659 5.2659 5.5501 5.5501 5.5682 5.5682 9.6853 9.6853 9.6898 9.6898 10.9557 10.9557 10.9593 10.9593 12.9056 12.9056 12.9135 12.9135 13.9159 13.9159 13.9266 13.9266 16.2275 16.2275 16.2561 16.2561 16.9735 16.9735 k = 0.0294 0.5000-0.0000 ( 3166 PWs) bands (ev): -48.0234 -48.0234 -48.0234 -48.0234 -22.3382 -22.3382 -22.3380 -22.3380 -14.8090 -14.8090 -14.8064 -14.8064 -14.4045 -14.4045 -14.4013 -14.4013 4.0159 4.0159 4.0286 4.0286 4.3114 4.3114 4.3116 4.3116 4.8715 4.8715 4.9011 4.9011 5.2609 5.2609 5.2692 5.2692 5.5432 5.5432 5.5705 5.5705 9.6928 9.6928 9.6996 9.6996 10.9643 10.9643 10.9698 10.9698 12.9062 12.9062 12.9181 12.9181 13.9144 13.9144 13.9302 13.9302 16.2047 16.2047 16.2457 16.2457 16.9691 16.9691 k = 0.0392 0.5000-0.0000 ( 3170 PWs) bands (ev): -48.0233 -48.0233 -48.0233 -48.0233 -22.3387 -22.3387 -22.3385 -22.3385 -14.8091 -14.8091 -14.8057 -14.8057 -14.4075 -14.4075 -14.4032 -14.4032 4.0166 4.0166 4.0332 4.0332 4.3101 4.3101 4.3103 4.3103 4.8645 4.8645 4.9044 4.9044 5.2621 5.2621 5.2731 5.2731 5.5355 5.5355 5.5720 5.5720 9.7037 9.7037 9.7126 9.7126 10.9769 10.9769 10.9841 10.9841 12.9076 12.9076 12.9231 12.9231 13.9139 13.9139 13.9346 13.9346 16.1765 16.1765 16.2280 16.2280 16.9685 16.9685 k = 0.0490 0.5000-0.0000 ( 3170 PWs) bands (ev): -48.0231 -48.0231 -48.0231 -48.0231 -22.3393 -22.3393 -22.3391 -22.3391 -14.8092 -14.8092 -14.8049 -14.8049 -14.4111 -14.4111 -14.4057 -14.4057 4.0179 4.0179 4.0385 4.0385 4.3082 4.3082 4.3092 4.3092 4.8570 4.8570 4.9076 4.9076 5.2640 5.2640 5.2778 5.2778 5.5269 5.5269 5.5729 5.5729 9.7179 9.7179 9.7290 9.7290 10.9933 10.9933 11.0022 11.0022 12.9091 12.9091 12.9281 12.9281 13.9152 13.9152 13.9406 13.9406 16.1434 16.1434 16.2032 16.2032 16.9717 16.9717 k = 0.0588 0.5000-0.0000 ( 3170 PWs) bands (ev): -48.0228 -48.0228 -48.0228 -48.0228 -22.3400 -22.3400 -22.3398 -22.3398 -14.8091 -14.8091 -14.8040 -14.8040 -14.4154 -14.4154 -14.4089 -14.4089 4.0199 4.0199 4.0442 4.0442 4.3058 4.3058 4.3079 4.3079 4.8491 4.8491 4.9106 4.9106 5.2663 5.2663 5.2831 5.2831 5.5175 5.5175 5.5731 5.5731 9.7354 9.7354 9.7484 9.7484 11.0137 11.0137 11.0241 11.0241 12.9103 12.9103 12.9324 12.9324 13.9190 13.9190 13.9487 13.9487 16.1056 16.1056 16.1717 16.1717 16.9788 16.9788 k = 0.0686 0.5000-0.0000 ( 3170 PWs) bands (ev): -48.0225 -48.0225 -48.0225 -48.0225 -22.3409 -22.3409 -22.3406 -22.3406 -14.8090 -14.8090 -14.8030 -14.8030 -14.4203 -14.4203 -14.4127 -14.4127 4.0224 4.0224 4.0502 4.0502 4.3027 4.3027 4.3067 4.3067 4.8407 4.8407 4.9138 4.9138 5.2692 5.2692 5.2889 5.2889 5.5074 5.5074 5.5729 5.5729 9.7559 9.7559 9.7709 9.7709 11.0380 11.0380 11.0498 11.0498 12.9106 12.9106 12.9353 12.9353 13.9263 13.9263 13.9597 13.9597 16.0636 16.0636 16.1341 16.1341 16.9893 16.9893 k = 0.0784 0.5000-0.0000 ( 3178 PWs) bands (ev): -48.0222 -48.0222 -48.0222 -48.0222 -22.3419 -22.3419 -22.3416 -22.3416 -14.8089 -14.8089 -14.8020 -14.8020 -14.4259 -14.4259 -14.4171 -14.4171 4.0254 4.0254 4.0563 4.0563 4.2991 4.2991 4.3055 4.3055 4.8320 4.8320 4.9171 4.9171 5.2723 5.2723 5.2951 5.2951 5.4966 5.4966 5.5723 5.5723 9.7795 9.7795 9.7961 9.7961 11.0662 11.0662 11.0794 11.0794 12.9092 12.9092 12.9359 12.9359 13.9380 13.9380 13.9745 13.9745 16.0178 16.0178 16.0910 16.0910 17.0030 17.0030 k = 0.0882 0.5000-0.0000 ( 3186 PWs) bands (ev): -48.0218 -48.0218 -48.0218 -48.0218 -22.3431 -22.3431 -22.3427 -22.3427 -14.8087 -14.8087 -14.8009 -14.8009 -14.4320 -14.4320 -14.4221 -14.4221 4.0288 4.0288 4.0623 4.0623 4.2950 4.2950 4.3045 4.3045 4.8232 4.8232 4.9209 4.9209 5.2757 5.2757 5.3015 5.3015 5.4852 5.4852 5.5712 5.5712 9.8059 9.8059 9.8241 9.8241 11.0985 11.0985 11.1129 11.1129 12.9056 12.9056 12.9336 12.9336 13.9550 13.9550 13.9940 13.9940 15.9685 15.9685 16.0432 16.0432 17.0193 17.0194 k = 0.0980 0.5000-0.0000 ( 3182 PWs) bands (ev): -48.0214 -48.0214 -48.0213 -48.0213 -22.3443 -22.3443 -22.3439 -22.3439 -14.8085 -14.8085 -14.7998 -14.7998 -14.4386 -14.4386 -14.4276 -14.4276 4.0324 4.0324 4.0681 4.0681 4.2904 4.2904 4.3039 4.3039 4.8145 4.8145 4.9252 4.9252 5.2793 5.2793 5.3083 5.3083 5.4736 5.4736 5.5702 5.5702 9.8349 9.8349 9.8546 9.8546 11.1347 11.1347 11.1502 11.1502 12.8991 12.8991 12.9277 12.9277 13.9781 13.9781 14.0189 14.0189 15.9161 15.9161 15.9915 15.9915 17.0380 17.0380 k = 0.1078 0.5000-0.0000 ( 3182 PWs) bands (ev): -48.0209 -48.0209 -48.0209 -48.0209 -22.3456 -22.3456 -22.3452 -22.3452 -14.8082 -14.8082 -14.7985 -14.7985 -14.4458 -14.4458 -14.4337 -14.4337 4.0362 4.0362 4.0733 4.0733 4.2852 4.2852 4.3037 4.3037 4.8060 4.8060 4.9302 4.9302 5.2829 5.2829 5.3152 5.3152 5.4616 5.4616 5.5692 5.5692 9.8665 9.8665 9.8874 9.8874 11.1750 11.1750 11.1913 11.1913 12.8892 12.8892 12.9177 12.9177 14.0082 14.0082 14.0499 14.0499 15.8610 15.8610 15.9366 15.9366 17.0584 17.0584 k = 0.1176 0.5000-0.0000 ( 3174 PWs) bands (ev): -48.0204 -48.0204 -48.0204 -48.0204 -22.3470 -22.3470 -22.3465 -22.3465 -14.8078 -14.8078 -14.7972 -14.7972 -14.4533 -14.4533 -14.4401 -14.4401 4.0400 4.0400 4.0778 4.0778 4.2797 4.2797 4.3039 4.3039 4.7980 4.7980 4.9359 4.9359 5.2866 5.2866 5.3221 5.3221 5.4498 5.4498 5.5683 5.5683 9.9005 9.9005 9.9224 9.9224 11.2192 11.2192 11.2363 11.2363 12.8756 12.8756 12.9032 12.9032 14.0455 14.0455 14.0876 14.0876 15.8037 15.8037 15.8792 15.8792 17.0802 17.0802 k = 0.1275 0.5000-0.0000 ( 3178 PWs) bands (ev): -48.0198 -48.0198 -48.0198 -48.0198 -22.3486 -22.3486 -22.3480 -22.3480 -14.8075 -14.8075 -14.7960 -14.7960 -14.4614 -14.4614 -14.4471 -14.4471 4.0436 4.0436 4.0814 4.0814 4.2734 4.2734 4.3043 4.3043 4.7905 4.7905 4.9425 4.9425 5.2900 5.2900 5.3286 5.3286 5.4380 5.4380 5.5675 5.5675 9.9366 9.9366 9.9594 9.9594 11.2674 11.2674 11.2852 11.2852 12.8582 12.8582 12.8842 12.8842 14.0903 14.0903 14.1324 14.1324 15.7445 15.7445 15.8201 15.8201 17.1031 17.1031 k = 0.1373 0.5000-0.0000 ( 3170 PWs) bands (ev): -48.0193 -48.0193 -48.0192 -48.0192 -22.3501 -22.3501 -22.3496 -22.3496 -14.8071 -14.8071 -14.7946 -14.7946 -14.4698 -14.4698 -14.4544 -14.4544 4.0470 4.0470 4.0840 4.0840 4.2668 4.2668 4.3051 4.3051 4.7840 4.7840 4.9500 4.9500 5.2934 5.2934 5.3347 5.3347 5.4270 5.4270 5.5672 5.5672 9.9747 9.9747 9.9982 9.9982 11.3196 11.3196 11.3378 11.3378 12.8370 12.8370 12.8609 12.8609 14.1425 14.1425 14.1843 14.1843 15.6839 15.6839 15.7598 15.7598 17.1265 17.1265 k = 0.1471 0.5000-0.0000 ( 3166 PWs) bands (ev): -48.0186 -48.0186 -48.0186 -48.0186 -22.3518 -22.3518 -22.3512 -22.3512 -14.8068 -14.8068 -14.7933 -14.7933 -14.4786 -14.4786 -14.4621 -14.4621 4.0501 4.0501 4.0853 4.0853 4.2597 4.2597 4.3060 4.3060 4.7786 4.7786 4.9586 4.9586 5.2964 5.2964 5.3397 5.3397 5.4172 5.4172 5.5673 5.5673 10.0147 10.0147 10.0386 10.0386 11.3757 11.3757 11.3943 11.3943 12.8120 12.8120 12.8336 12.8336 14.2017 14.2017 14.2434 14.2434 15.6224 15.6224 15.6993 15.6993 17.1501 17.1501 k = 0.1569 0.5000-0.0000 ( 3154 PWs) bands (ev): -48.0180 -48.0180 -48.0180 -48.0180 -22.3535 -22.3535 -22.3529 -22.3529 -14.8065 -14.8065 -14.7920 -14.7920 -14.4877 -14.4877 -14.4700 -14.4700 4.0527 4.0527 4.0855 4.0855 4.2523 4.2523 4.3069 4.3069 4.7747 4.7747 4.9683 4.9683 5.2993 5.2993 5.3426 5.3426 5.4097 5.4097 5.5680 5.5680 10.0563 10.0563 10.0805 10.0805 11.4357 11.4357 11.4545 11.4545 12.7837 12.7837 12.8026 12.8026 14.2674 14.2674 14.3093 14.3093 15.5604 15.5604 15.6392 15.6392 17.1736 17.1736 k = 0.1667 0.5000-0.0000 ( 3158 PWs) bands (ev): -48.0173 -48.0173 -48.0173 -48.0173 -22.3555 -22.3555 -22.3548 -22.3548 -14.8062 -14.8062 -14.7907 -14.7907 -14.4971 -14.4971 -14.4783 -14.4783 4.0546 4.0546 4.0843 4.0843 4.2443 4.2443 4.3073 4.3073 4.7723 4.7723 4.9789 4.9789 5.3017 5.3017 5.3425 5.3425 5.4053 5.4053 5.5691 5.5691 10.0994 10.0994 10.1236 10.1236 11.4994 11.4994 11.5183 11.5183 12.7525 12.7525 12.7684 12.7684 14.3387 14.3387 14.3818 14.3818 15.4986 15.4986 15.5804 15.5804 17.1966 17.1966 k = 0.1765 0.5000-0.0000 ( 3162 PWs) bands (ev): -48.0167 -48.0167 -48.0166 -48.0166 -22.3574 -22.3574 -22.3568 -22.3568 -14.8060 -14.8060 -14.7896 -14.7896 -14.5067 -14.5067 -14.4868 -14.4868 4.0558 4.0558 4.0820 4.0820 4.2360 4.2360 4.3069 4.3069 4.7719 4.7719 4.9906 4.9906 5.3039 5.3039 5.3388 5.3388 5.4049 5.4049 5.5710 5.5710 10.1439 10.1439 10.1680 10.1680 11.5668 11.5668 11.5857 11.5857 12.7187 12.7187 12.7316 12.7316 14.4146 14.4146 14.4601 14.4601 15.4374 15.4374 15.5242 15.5242 17.2187 17.2187 k = 0.1863 0.5000-0.0000 ( 3162 PWs) bands (ev): -48.0159 -48.0159 -48.0159 -48.0159 -22.3595 -22.3595 -22.3588 -22.3588 -14.8059 -14.8059 -14.7884 -14.7884 -14.5164 -14.5164 -14.4954 -14.4954 4.0562 4.0562 4.0786 4.0786 4.2275 4.2275 4.3057 4.3057 4.7736 4.7736 5.0034 5.0034 5.3058 5.3058 5.3323 5.3323 5.4079 5.4079 5.5735 5.5735 10.1895 10.1895 10.2133 10.2133 11.6377 11.6377 11.6566 11.6566 12.6828 12.6828 12.6927 12.6927 14.4933 14.4933 14.5436 14.5436 15.3779 15.3779 15.4721 15.4721 17.2395 17.2395 k = 0.1961 0.5000-0.0000 ( 3170 PWs) bands (ev): -48.0152 -48.0152 -48.0152 -48.0152 -22.3616 -22.3616 -22.3609 -22.3609 -14.8059 -14.8059 -14.7874 -14.7874 -14.5262 -14.5262 -14.5042 -14.5042 4.0558 4.0558 4.0742 4.0742 4.2186 4.2186 4.3031 4.3031 4.7774 4.7774 5.0171 5.0171 5.3073 5.3073 5.3240 5.3240 5.4131 5.4131 5.5766 5.5766 10.2363 10.2363 10.2596 10.2596 11.7119 11.7119 11.7309 11.7309 12.6454 12.6454 12.6521 12.6521 14.5725 14.5725 14.6309 14.6309 15.3211 15.3211 15.4266 15.4266 17.2587 17.2587 k = 0.2059 0.5000-0.0000 ( 3170 PWs) bands (ev): -48.0145 -48.0145 -48.0145 -48.0145 -22.3637 -22.3637 -22.3630 -22.3630 -14.8060 -14.8060 -14.7865 -14.7865 -14.5360 -14.5360 -14.5129 -14.5129 4.0546 4.0546 4.0690 4.0690 4.2095 4.2095 4.2992 4.2992 4.7835 4.7835 5.0318 5.0318 5.3087 5.3087 5.3149 5.3149 5.4198 5.4198 5.5804 5.5804 10.2840 10.2840 10.3066 10.3066 11.7891 11.7891 11.8083 11.8083 12.6070 12.6070 12.6104 12.6104 14.6483 14.6483 14.7195 14.7195 15.2694 15.2694 15.3912 15.3912 17.2758 17.2758 k = 0.2157 0.5000-0.0000 ( 3170 PWs) bands (ev): -48.0137 -48.0137 -48.0137 -48.0137 -22.3659 -22.3659 -22.3652 -22.3652 -14.8062 -14.8062 -14.7858 -14.7858 -14.5458 -14.5458 -14.5217 -14.5217 4.0526 4.0526 4.0630 4.0630 4.2002 4.2002 4.2939 4.2939 4.7919 4.7919 5.0473 5.0473 5.3058 5.3058 5.3099 5.3099 5.4274 5.4274 5.5849 5.5849 10.3324 10.3324 10.3543 10.3543 11.8690 11.8690 11.8888 11.8888 12.5681 12.5681 12.5682 12.5682 14.7152 14.7152 14.8046 14.8046 15.2276 15.2276 15.3715 15.3715 17.2905 17.2905 k = 0.2255 0.5000-0.0000 ( 3178 PWs) bands (ev): -48.0130 -48.0130 -48.0129 -48.0129 -22.3682 -22.3682 -22.3674 -22.3674 -14.8066 -14.8066 -14.7852 -14.7852 -14.5555 -14.5555 -14.5304 -14.5304 4.0497 4.0497 4.0564 4.0564 4.1907 4.1907 4.2869 4.2869 4.8022 4.8022 5.0632 5.0632 5.2970 5.2970 5.3109 5.3109 5.4355 5.4355 5.5899 5.5899 10.3816 10.3816 10.4026 10.4026 11.9510 11.9510 11.9719 11.9719 12.5257 12.5257 12.5299 12.5299 14.7657 14.7657 14.8747 14.8747 15.2069 15.2069 15.3747 15.3747 17.3023 17.3023 k = 0.2353 0.5000-0.0000 ( 3182 PWs) bands (ev): -48.0122 -48.0122 -48.0122 -48.0122 -22.3704 -22.3704 -22.3697 -22.3697 -14.8071 -14.8071 -14.7849 -14.7849 -14.5650 -14.5650 -14.5390 -14.5390 4.0460 4.0460 4.0494 4.0494 4.1809 4.1809 4.2785 4.2785 4.8145 4.8145 5.0795 5.0795 5.2888 5.2888 5.3119 5.3119 5.4442 5.4442 5.5956 5.5956 10.4312 10.4312 10.4512 10.4512 12.0339 12.0339 12.0572 12.0572 12.4840 12.4840 12.4934 12.4934 14.7937 14.7937 14.9104 14.9104 15.2263 15.2263 15.4068 15.4068 17.3109 17.3109 k = 0.2451 0.5000-0.0000 ( 3166 PWs) bands (ev): -48.0114 -48.0114 -48.0114 -48.0114 -22.3725 -22.3725 -22.3718 -22.3718 -14.8078 -14.8078 -14.7847 -14.7847 -14.5742 -14.5742 -14.5473 -14.5473 4.0418 4.0418 4.0421 4.0421 4.1711 4.1711 4.2688 4.2688 4.8284 4.8284 5.0960 5.0960 5.2816 5.2816 5.3130 5.3130 5.4534 5.4534 5.6020 5.6020 10.4813 10.4813 10.5003 10.5003 12.1154 12.1154 12.1434 12.1434 12.4444 12.4444 12.4612 12.4612 14.7984 14.7984 14.9054 14.9054 15.2918 15.2918 15.4681 15.4681 17.3159 17.3159 k = 0.2549 0.5000-0.0000 ( 3162 PWs) bands (ev): -48.0106 -48.0106 -48.0106 -48.0106 -22.3748 -22.3748 -22.3740 -22.3740 -14.8086 -14.8086 -14.7848 -14.7848 -14.5830 -14.5830 -14.5555 -14.5555 4.0345 4.0345 4.0369 4.0369 4.1611 4.1611 4.2579 4.2579 4.8435 4.8435 5.1121 5.1121 5.2755 5.2755 5.3141 5.3141 5.4629 5.4629 5.6087 5.6087 10.5317 10.5317 10.5495 10.5495 12.1890 12.1890 12.2262 12.2262 12.4113 12.4113 12.4398 12.4398 14.7851 14.7851 14.8766 14.8766 15.3860 15.3860 15.5530 15.5530 17.3170 17.3170 k = 0.2647 0.5000-0.0000 ( 3158 PWs) bands (ev): -48.0098 -48.0098 -48.0098 -48.0098 -22.3770 -22.3770 -22.3762 -22.3762 -14.8097 -14.8097 -14.7853 -14.7853 -14.5915 -14.5915 -14.5634 -14.5634 4.0267 4.0267 4.0315 4.0315 4.1510 4.1510 4.2460 4.2460 4.8598 4.8598 5.1274 5.1274 5.2709 5.2709 5.3153 5.3153 5.4728 5.4728 5.6159 5.6159 10.5822 10.5822 10.5988 10.5988 12.2382 12.2382 12.2841 12.2841 12.4063 12.4063 12.4460 12.4460 14.7604 14.7604 14.8384 14.8384 15.4939 15.4939 15.6544 15.6544 17.3137 17.3137 k = 0.2745 0.5000-0.0000 ( 3158 PWs) bands (ev): -48.0091 -48.0091 -48.0090 -48.0090 -22.3792 -22.3792 -22.3785 -22.3785 -14.8110 -14.8110 -14.7862 -14.7862 -14.5996 -14.5996 -14.5710 -14.5710 4.0188 4.0188 4.0256 4.0256 4.1406 4.1406 4.2332 4.2332 4.8767 4.8767 5.1412 5.1412 5.2682 5.2682 5.3166 5.3166 5.4830 5.4830 5.6234 5.6234 10.6326 10.6326 10.6480 10.6480 12.2472 12.2472 12.2814 12.2814 12.4654 12.4654 12.4955 12.4955 14.7294 14.7294 14.7974 14.7974 15.6079 15.6079 15.7663 15.7663 17.3060 17.3060 k = 0.2843 0.5000-0.0000 ( 3158 PWs) bands (ev): -48.0083 -48.0083 -48.0083 -48.0083 -22.3814 -22.3814 -22.3807 -22.3807 -14.8126 -14.8126 -14.7874 -14.7874 -14.6071 -14.6071 -14.5783 -14.5783 4.0109 4.0109 4.0194 4.0194 4.1302 4.1302 4.2198 4.2198 4.8940 4.8940 5.1529 5.1529 5.2679 5.2679 5.3182 5.3182 5.4938 5.4938 5.6313 5.6313 10.6828 10.6828 10.6969 10.6969 12.2296 12.2296 12.2518 12.2518 12.5549 12.5549 12.5750 12.5750 14.6956 14.6956 14.7565 14.7565 15.7242 15.7242 15.8844 15.8844 17.2936 17.2936 k = 0.2941 0.5000-0.0000 ( 3154 PWs) bands (ev): -48.0075 -48.0075 -48.0075 -48.0075 -22.3836 -22.3836 -22.3829 -22.3829 -14.8144 -14.8144 -14.7890 -14.7890 -14.6141 -14.6141 -14.5851 -14.5851 4.0031 4.0031 4.0130 4.0130 4.1196 4.1196 4.2058 4.2058 4.9115 4.9115 5.1619 5.1619 5.2705 5.2705 5.3199 5.3199 5.5050 5.5050 5.6395 5.6395 10.7325 10.7325 10.7454 10.7454 12.2023 12.2023 12.2174 12.2174 12.6525 12.6525 12.6675 12.6675 14.6611 14.6611 14.7171 14.7171 15.8401 15.8401 16.0052 16.0052 17.2764 17.2764 k = 0.3039 0.5000-0.0000 ( 3150 PWs) bands (ev): -48.0068 -48.0068 -48.0068 -48.0068 -22.3857 -22.3857 -22.3850 -22.3850 -14.8164 -14.8164 -14.7911 -14.7911 -14.6204 -14.6204 -14.5915 -14.5915 3.9953 3.9953 4.0065 4.0065 4.1090 4.1090 4.1915 4.1915 4.9290 4.9290 5.1680 5.1680 5.2759 5.2759 5.3220 5.3220 5.5169 5.5169 5.6479 5.6479 10.7816 10.7816 10.7932 10.7932 12.1720 12.1720 12.1828 12.1828 12.7539 12.7539 12.7663 12.7663 14.6275 14.6275 14.6801 14.6801 15.9529 15.9529 16.1256 16.1256 17.2544 17.2544 k = 0.3137 0.5000-0.0000 ( 3144 PWs) bands (ev): -48.0060 -48.0060 -48.0060 -48.0060 -22.3878 -22.3878 -22.3871 -22.3871 -14.8186 -14.8186 -14.7935 -14.7935 -14.6260 -14.6260 -14.5976 -14.5976 3.9877 3.9877 3.9999 3.9999 4.0984 4.0984 4.1771 4.1771 4.9463 4.9463 5.1713 5.1713 5.2838 5.2838 5.3243 5.3243 5.5292 5.5292 5.6565 5.6565 10.8298 10.8298 10.8401 10.8401 12.1415 12.1415 12.1494 12.1494 12.8576 12.8576 12.8686 12.8686 14.5956 14.5956 14.6459 14.6459 16.0601 16.0601 16.2422 16.2422 17.2280 17.2280 k = 0.3235 0.5000-0.0000 ( 3144 PWs) bands (ev): -48.0053 -48.0053 -48.0053 -48.0053 -22.3899 -22.3899 -22.3892 -22.3892 -14.8210 -14.8210 -14.7964 -14.7964 -14.6311 -14.6311 -14.6032 -14.6032 3.9804 3.9804 3.9933 3.9933 4.0878 4.0878 4.1625 4.1625 4.9630 4.9630 5.1725 5.1725 5.2933 5.2933 5.3268 5.3268 5.5421 5.5421 5.6652 5.6652 10.8768 10.8768 10.8859 10.8859 12.1119 12.1119 12.1178 12.1178 12.9631 12.9631 12.9734 12.9734 14.5663 14.5663 14.6150 14.6150 16.1588 16.1588 16.3513 16.3513 17.1973 17.1973 k = 0.3333 0.5000-0.0000 ( 3152 PWs) bands (ev): -48.0047 -48.0047 -48.0046 -48.0046 -22.3920 -22.3920 -22.3913 -22.3913 -14.8237 -14.8237 -14.7998 -14.7998 -14.6355 -14.6355 -14.6084 -14.6084 3.9733 3.9733 3.9869 3.9869 4.0772 4.0772 4.1479 4.1479 4.9791 4.9791 5.1721 5.1721 5.3035 5.3035 5.3296 5.3296 5.5555 5.5555 5.6739 5.6739 10.9223 10.9223 10.9302 10.9302 12.0840 12.0840 12.0884 12.0884 13.0700 13.0700 13.0799 13.0799 14.5398 14.5398 14.5877 14.5877 16.2460 16.2460 16.4484 16.4484 17.1629 17.1629 k = 0.3431 0.5000-0.0000 ( 3154 PWs) bands (ev): -48.0040 -48.0040 -48.0040 -48.0040 -22.3939 -22.3939 -22.3933 -22.3933 -14.8264 -14.8264 -14.8034 -14.8034 -14.6393 -14.6393 -14.6131 -14.6131 3.9666 3.9666 3.9806 3.9806 4.0667 4.0667 4.1334 4.1334 4.9944 4.9944 5.1709 5.1709 5.3139 5.3139 5.3327 5.3327 5.5694 5.5694 5.6826 5.6826 10.9659 10.9659 10.9728 10.9728 12.0581 12.0581 12.0614 12.0614 13.1779 13.1779 13.1875 13.1875 14.5168 14.5168 14.5642 14.5642 16.3187 16.3187 16.5288 16.5288 17.1252 17.1252 k = 0.3529 0.5000-0.0000 ( 3146 PWs) bands (ev): -48.0033 -48.0033 -48.0033 -48.0033 -22.3957 -22.3957 -22.3951 -22.3951 -14.8292 -14.8292 -14.8072 -14.8072 -14.6424 -14.6424 -14.6174 -14.6174 3.9603 3.9603 3.9747 3.9747 4.0565 4.0565 4.1192 4.1192 5.0091 5.0091 5.1691 5.1691 5.3240 5.3240 5.3362 5.3362 5.5837 5.5837 5.6912 5.6912 11.0075 11.0075 11.0133 11.0133 12.0347 12.0347 12.0371 12.0371 13.2864 13.2864 13.2960 13.2960 14.4975 14.4975 14.5448 14.5448 16.3741 16.3741 16.5873 16.5873 17.0844 17.0844 k = 0.3627 0.5000-0.0000 ( 3150 PWs) bands (ev): -48.0027 -48.0027 -48.0027 -48.0027 -22.3975 -22.3975 -22.3970 -22.3970 -14.8321 -14.8321 -14.8113 -14.8113 -14.6450 -14.6450 -14.6213 -14.6213 3.9543 3.9543 3.9690 3.9690 4.0465 4.0465 4.1053 4.1053 5.0227 5.0227 5.1669 5.1669 5.3335 5.3335 5.3397 5.3397 5.5982 5.5982 5.6997 5.6997 11.0465 11.0465 11.0514 11.0514 12.0139 12.0139 12.0157 12.0157 13.3954 13.3954 13.4047 13.4047 14.4821 14.4821 14.5295 14.5295 16.4106 16.4106 16.6204 16.6204 17.0398 17.0398 k = 0.3725 0.5000-0.0000 ( 3142 PWs) bands (ev): -48.0021 -48.0021 -48.0021 -48.0021 -22.3992 -22.3992 -22.3986 -22.3986 -14.8349 -14.8349 -14.8154 -14.8154 -14.6470 -14.6470 -14.6249 -14.6249 3.9489 3.9489 3.9638 3.9638 4.0369 4.0369 4.0919 4.0919 5.0355 5.0355 5.1647 5.1647 5.3424 5.3424 5.3436 5.3436 5.6130 5.6130 5.7079 5.7079 11.0828 11.0828 11.0868 11.0868 11.9959 11.9959 11.9973 11.9973 13.5043 13.5043 13.5134 13.5134 14.4708 14.4708 14.5185 14.5185 16.4278 16.4278 16.6276 16.6276 16.9899 16.9899 k = 0.3824 0.5000-0.0000 ( 3138 PWs) bands (ev): -48.0016 -48.0016 -48.0016 -48.0016 -22.4007 -22.4007 -22.4002 -22.4002 -14.8378 -14.8378 -14.8197 -14.8197 -14.6486 -14.6486 -14.6280 -14.6280 3.9439 3.9439 3.9589 3.9589 4.0276 4.0276 4.0789 4.0789 5.0473 5.0473 5.1623 5.1623 5.3475 5.3475 5.3503 5.3503 5.6277 5.6277 5.7158 5.7158 11.1159 11.1159 11.1192 11.1192 11.9808 11.9808 11.9819 11.9819 13.6128 13.6128 13.6216 13.6216 14.4637 14.4637 14.5117 14.5117 16.4270 16.4270 16.6117 16.6117 16.9323 16.9323 k = 0.3922 0.5000-0.0000 ( 3146 PWs) bands (ev): -48.0011 -48.0011 -48.0011 -48.0011 -22.4023 -22.4023 -22.4018 -22.4018 -14.8406 -14.8406 -14.8239 -14.8239 -14.6499 -14.6499 -14.6310 -14.6310 3.9394 3.9394 3.9544 3.9544 4.0188 4.0188 4.0664 4.0664 5.0581 5.0581 5.1597 5.1597 5.3513 5.3513 5.3572 5.3572 5.6421 5.6421 5.7230 5.7230 11.1458 11.1458 11.1484 11.1484 11.9686 11.9686 11.9696 11.9696 13.7203 13.7203 13.7286 13.7286 14.4608 14.4608 14.5091 14.5091 16.4103 16.4103 16.5776 16.5776 16.8659 16.8660 k = 0.4020 0.5000-0.0000 ( 3158 PWs) bands (ev): -48.0006 -48.0006 -48.0006 -48.0006 -22.4038 -22.4038 -22.4033 -22.4033 -14.8433 -14.8433 -14.8281 -14.8281 -14.6509 -14.6509 -14.6336 -14.6336 3.9353 3.9353 3.9502 3.9502 4.0104 4.0104 4.0545 4.0545 5.0679 5.0679 5.1571 5.1571 5.3552 5.3552 5.3632 5.3632 5.6561 5.6561 5.7298 5.7298 11.1722 11.1722 11.1743 11.1743 11.9593 11.9593 11.9603 11.9603 13.8264 13.8264 13.8339 13.8339 14.4620 14.4620 14.5106 14.5106 16.3807 16.3807 16.5304 16.5304 16.7855 16.7858 k = 0.4118 0.5000-0.0000 ( 3154 PWs) bands (ev): -48.0002 -48.0002 -48.0002 -48.0002 -22.4050 -22.4050 -22.4046 -22.4046 -14.8457 -14.8457 -14.8321 -14.8321 -14.6515 -14.6515 -14.6359 -14.6359 3.9319 3.9319 3.9465 3.9465 4.0029 4.0029 4.0434 4.0434 5.0770 5.0770 5.1547 5.1547 5.3592 5.3592 5.3686 5.3686 5.6697 5.6697 5.7360 5.7360 11.1951 11.1951 11.1968 11.1968 11.9527 11.9527 11.9537 11.9537 13.9303 13.9303 13.9367 13.9367 14.4672 14.4672 14.5160 14.5160 16.3412 16.3412 16.4744 16.4744 16.7000 16.7000 k = 0.4216 0.5000-0.0000 ( 3146 PWs) bands (ev): -47.9998 -47.9998 -47.9998 -47.9998 -22.4061 -22.4061 -22.4057 -22.4057 -14.8480 -14.8480 -14.8359 -14.8359 -14.6518 -14.6518 -14.6379 -14.6379 3.9290 3.9290 3.9433 3.9433 3.9959 3.9959 4.0328 4.0328 5.0853 5.0853 5.1523 5.1523 5.3631 5.3631 5.3731 5.3731 5.6827 5.6827 5.7416 5.7416 11.2145 11.2145 11.2159 11.2159 11.9486 11.9486 11.9495 11.9495 14.0310 14.0310 14.0359 14.0359 14.4760 14.4760 14.5248 14.5248 16.2949 16.2949 16.4128 16.4128 16.6138 16.6138 k = 0.4314 0.5000-0.0000 ( 3148 PWs) bands (ev): -47.9995 -47.9995 -47.9994 -47.9994 -22.4071 -22.4071 -22.4068 -22.4068 -14.8500 -14.8500 -14.8394 -14.8394 -14.6519 -14.6519 -14.6398 -14.6398 3.9267 3.9267 3.9404 3.9404 3.9899 3.9899 4.0230 4.0230 5.0928 5.0928 5.1497 5.1497 5.3667 5.3667 5.3767 5.3767 5.6948 5.6948 5.7462 5.7462 11.2307 11.2307 11.2318 11.2318 11.9464 11.9464 11.9474 11.9474 14.1272 14.1272 14.1301 14.1301 14.4882 14.4882 14.5368 14.5368 16.2446 16.2446 16.3482 16.3482 16.5296 16.5296 k = 0.4412 0.5000-0.0000 ( 3144 PWs) bands (ev): -47.9991 -47.9991 -47.9991 -47.9991 -22.4080 -22.4080 -22.4077 -22.4077 -14.8517 -14.8517 -14.8427 -14.8427 -14.6518 -14.6518 -14.6415 -14.6415 3.9250 3.9250 3.9378 3.9378 3.9848 3.9848 4.0141 4.0141 5.0996 5.0996 5.1471 5.1471 5.3702 5.3702 5.3797 5.3797 5.7061 5.7061 5.7500 5.7500 11.2438 11.2438 11.2447 11.2447 11.9459 11.9459 11.9468 11.9468 14.2174 14.2174 14.2177 14.2177 14.5033 14.5033 14.5513 14.5513 16.1928 16.1928 16.2827 16.2827 16.4500 16.4500 k = 0.4510 0.5000-0.0000 ( 3140 PWs) bands (ev): -47.9989 -47.9989 -47.9989 -47.9989 -22.4087 -22.4087 -22.4085 -22.4085 -14.8531 -14.8531 -14.8456 -14.8456 -14.6516 -14.6516 -14.6430 -14.6430 3.9239 3.9239 3.9354 3.9354 3.9808 3.9808 4.0060 4.0060 5.1057 5.1057 5.1445 5.1445 5.3735 5.3735 5.3820 5.3820 5.7163 5.7163 5.7528 5.7528 11.2542 11.2542 11.2549 11.2549 11.9465 11.9465 11.9474 11.9474 14.2966 14.2966 14.2993 14.2993 14.5212 14.5212 14.5678 14.5678 16.1421 16.1421 16.2184 16.2184 16.3774 16.3774 k = 0.4608 0.5000-0.0000 ( 3134 PWs) bands (ev): -47.9987 -47.9987 -47.9987 -47.9987 -22.4093 -22.4093 -22.4091 -22.4091 -14.8541 -14.8541 -14.8481 -14.8481 -14.6512 -14.6512 -14.6443 -14.6443 3.9233 3.9233 3.9332 3.9332 3.9779 3.9779 3.9987 3.9987 5.1113 5.1113 5.1417 5.1417 5.3764 5.3764 5.3836 5.3836 5.7255 5.7255 5.7546 5.7546 11.2622 11.2622 11.2627 11.2627 11.9478 11.9478 11.9486 11.9486 14.3640 14.3640 14.3696 14.3696 14.5418 14.5418 14.5855 14.5855 16.0954 16.0954 16.1576 16.1576 16.3145 16.3145 k = 0.4706 0.5000-0.0000 ( 3136 PWs) bands (ev): -47.9985 -47.9985 -47.9985 -47.9985 -22.4098 -22.4098 -22.4096 -22.4096 -14.8548 -14.8548 -14.8503 -14.8503 -14.6507 -14.6507 -14.6455 -14.6455 3.9232 3.9232 3.9311 3.9311 3.9763 3.9763 3.9922 3.9922 5.1163 5.1163 5.1388 5.1388 5.3789 5.3789 5.3845 5.3845 5.7334 5.7334 5.7553 5.7553 11.2681 11.2681 11.2685 11.2685 11.9493 11.9493 11.9500 11.9500 14.4175 14.4175 14.4247 14.4247 14.5652 14.5652 14.6031 14.6031 16.0556 16.0556 16.1031 16.1031 16.2636 16.2636 k = 0.4804 0.5000-0.0000 ( 3132 PWs) bands (ev): -47.9984 -47.9984 -47.9984 -47.9984 -22.4101 -22.4101 -22.4100 -22.4100 -14.8550 -14.8550 -14.8521 -14.8521 -14.6501 -14.6501 -14.6466 -14.6466 3.9237 3.9237 3.9292 3.9292 3.9759 3.9759 3.9868 3.9868 5.1209 5.1209 5.1358 5.1358 5.3810 5.3810 5.3849 5.3849 5.7402 5.7402 5.7547 5.7547 11.2721 11.2721 11.2724 11.2724 11.9507 11.9507 11.9512 11.9512 14.4556 14.4556 14.4618 14.4618 14.5902 14.5902 14.6180 14.6180 16.0261 16.0261 16.0583 16.0583 16.2265 16.2265 k = 0.4902 0.5000-0.0000 ( 3128 PWs) bands (ev): -47.9983 -47.9983 -47.9983 -47.9983 -22.4103 -22.4103 -22.4102 -22.4102 -14.8549 -14.8549 -14.8534 -14.8534 -14.6493 -14.6493 -14.6476 -14.6476 3.9246 3.9246 3.9274 3.9274 3.9769 3.9769 3.9824 3.9824 5.1252 5.1252 5.1325 5.1325 5.3828 5.3828 5.3847 5.3847 5.7457 5.7457 5.7530 5.7530 11.2745 11.2745 11.2746 11.2746 11.9517 11.9517 11.9520 11.9520 14.4783 14.4783 14.4817 14.4817 14.6119 14.6119 14.6265 14.6265 16.0101 16.0101 16.0263 16.0263 16.2045 16.2045 k = 0.5000 0.5000-0.0000 ( 3124 PWs) bands (ev): -47.9983 -47.9983 -47.9983 -47.9983 -22.4103 -22.4103 -22.4103 -22.4103 -14.8543 -14.8543 -14.8543 -14.8543 -14.6485 -14.6485 -14.6485 -14.6485 3.9259 3.9259 3.9259 3.9259 3.9791 3.9791 3.9791 3.9791 5.1290 5.1290 5.1290 5.1290 5.3840 5.3840 5.3840 5.3840 5.7500 5.7500 5.7500 5.7500 11.2753 11.2753 11.2753 11.2753 11.9522 11.9522 11.9522 11.9522 14.4868 14.4868 14.4868 14.4868 14.6248 14.6248 14.6248 14.6248 16.0099 16.0099 16.0099 16.0099 16.1982 16.1982 k = 0.5000 0.5000-0.0000 ( 3124 PWs) bands (ev): -47.9983 -47.9983 -47.9983 -47.9983 -22.4103 -22.4103 -22.4103 -22.4103 -14.8543 -14.8543 -14.8543 -14.8543 -14.6485 -14.6485 -14.6485 -14.6485 3.9259 3.9259 3.9259 3.9259 3.9791 3.9791 3.9791 3.9791 5.1290 5.1290 5.1290 5.1290 5.3840 5.3840 5.3840 5.3840 5.7500 5.7500 5.7500 5.7500 11.2753 11.2753 11.2753 11.2753 11.9522 11.9522 11.9522 11.9522 14.4868 14.4868 14.4868 14.4868 14.6248 14.6248 14.6248 14.6248 16.0099 16.0099 16.0099 16.0099 16.1982 16.1982 k = 0.4931 0.4931-0.0000 ( 3128 PWs) bands (ev): -47.9983 -47.9983 -47.9983 -47.9983 -22.4103 -22.4103 -22.4102 -22.4102 -14.8549 -14.8549 -14.8534 -14.8534 -14.6493 -14.6493 -14.6476 -14.6476 3.9246 3.9246 3.9274 3.9274 3.9769 3.9769 3.9824 3.9824 5.1252 5.1252 5.1325 5.1325 5.3827 5.3827 5.3848 5.3848 5.7457 5.7457 5.7530 5.7530 11.2725 11.2725 11.2766 11.2766 11.9495 11.9495 11.9542 11.9542 14.4737 14.4737 14.4864 14.4864 14.6100 14.6100 14.6282 14.6282 16.0100 16.0100 16.0261 16.0261 16.2018 16.2018 k = 0.4861 0.4861-0.0000 ( 3128 PWs) bands (ev): -47.9984 -47.9984 -47.9983 -47.9983 -22.4101 -22.4101 -22.4099 -22.4099 -14.8550 -14.8550 -14.8520 -14.8520 -14.6501 -14.6501 -14.6466 -14.6466 3.9237 3.9237 3.9293 3.9293 3.9759 3.9759 3.9869 3.9869 5.1210 5.1210 5.1358 5.1358 5.3808 5.3808 5.3852 5.3852 5.7401 5.7401 5.7549 5.7549 11.2638 11.2638 11.2804 11.2804 11.9418 11.9418 11.9603 11.9603 14.4358 14.4358 14.4828 14.4828 14.5791 14.5791 14.6291 14.6291 16.0245 16.0245 16.0544 16.0544 16.2149 16.2149 k = 0.4792 0.4792-0.0000 ( 3130 PWs) bands (ev): -47.9985 -47.9985 -47.9985 -47.9985 -22.4098 -22.4098 -22.4095 -22.4095 -14.8547 -14.8547 -14.8502 -14.8502 -14.6507 -14.6507 -14.6455 -14.6455 3.9231 3.9231 3.9314 3.9314 3.9760 3.9760 3.9925 3.9925 5.1165 5.1165 5.1387 5.1387 5.3781 5.3781 5.3854 5.3854 5.7330 5.7330 5.7557 5.7557 11.2486 11.2486 11.2868 11.2868 11.9298 11.9298 11.9705 11.9705 14.3767 14.3767 14.4662 14.4662 14.5425 14.5425 14.6314 14.6314 16.0479 16.0479 16.0867 16.0867 16.2405 16.2405 k = 0.4722 0.4722-0.0000 ( 3134 PWs) bands (ev): -47.9987 -47.9987 -47.9986 -47.9986 -22.4095 -22.4095 -22.4089 -22.4089 -14.8540 -14.8540 -14.8480 -14.8480 -14.6513 -14.6513 -14.6442 -14.6442 3.9229 3.9229 3.9338 3.9338 3.9773 3.9773 3.9991 3.9991 5.1117 5.1117 5.1414 5.1414 5.3745 5.3745 5.3855 5.3855 5.7245 5.7245 5.7555 5.7555 11.2259 11.2259 11.2956 11.2956 11.9148 11.9148 11.9846 11.9846 14.3022 14.3022 14.4158 14.4158 14.5247 14.5247 14.6358 14.6358 16.0750 16.0750 16.1165 16.1165 16.2824 16.2824 k = 0.4653 0.4653-0.0000 ( 3142 PWs) bands (ev): -47.9990 -47.9990 -47.9988 -47.9988 -22.4090 -22.4090 -22.4082 -22.4082 -14.8529 -14.8529 -14.8454 -14.8454 -14.6519 -14.6519 -14.6429 -14.6429 3.9232 3.9232 3.9365 3.9365 3.9797 3.9797 4.0066 4.0066 5.1066 5.1066 5.1437 5.1437 5.3699 5.3699 5.3855 5.3855 5.7144 5.7144 5.7545 5.7545 11.1943 11.1943 11.3068 11.3068 11.8983 11.8983 12.0027 12.0027 14.2182 14.2182 14.3382 14.3382 14.5228 14.5228 14.6425 14.6425 16.1017 16.1017 16.1437 16.1437 16.3403 16.3403 k = 0.4583 0.4583-0.0000 ( 3148 PWs) bands (ev): -47.9993 -47.9993 -47.9990 -47.9990 -22.4084 -22.4084 -22.4073 -22.4073 -14.8514 -14.8514 -14.8424 -14.8424 -14.6524 -14.6524 -14.6413 -14.6413 3.9241 3.9241 3.9395 3.9395 3.9831 3.9831 4.0151 4.0151 5.1012 5.1012 5.1459 5.1459 5.3643 5.3643 5.3854 5.3854 5.7028 5.7028 5.7527 5.7527 11.1526 11.1526 11.3201 11.3201 11.8821 11.8821 12.0247 12.0247 14.1293 14.1293 14.2470 14.2470 14.5263 14.5263 14.6511 14.6511 16.1251 16.1251 16.1728 16.1728 16.4097 16.4097 k = 0.4514 0.4514-0.0000 ( 3154 PWs) bands (ev): -47.9997 -47.9997 -47.9993 -47.9993 -22.4078 -22.4078 -22.4062 -22.4062 -14.8495 -14.8495 -14.8390 -14.8390 -14.6529 -14.6529 -14.6396 -14.6396 3.9255 3.9255 3.9428 3.9428 3.9876 3.9876 4.0246 4.0246 5.0954 5.0954 5.1477 5.1477 5.3578 5.3578 5.3853 5.3853 5.6896 5.6896 5.7502 5.7502 11.0995 11.0995 11.3352 11.3352 11.8677 11.8677 12.0505 12.0505 14.0391 14.0391 14.1480 14.1480 14.5321 14.5321 14.6615 14.6615 16.1440 16.1440 16.2072 16.2072 16.4859 16.4859 k = 0.4444 0.4444-0.0000 ( 3152 PWs) bands (ev): -48.0001 -48.0001 -47.9995 -47.9995 -22.4070 -22.4070 -22.4048 -22.4048 -14.8472 -14.8472 -14.8351 -14.8351 -14.6533 -14.6533 -14.6377 -14.6377 3.9276 3.9276 3.9465 3.9465 3.9931 3.9931 4.0350 4.0350 5.0894 5.0894 5.1494 5.1494 5.3504 5.3504 5.3853 5.3853 5.6751 5.6751 5.7471 5.7471 11.0346 11.0346 11.3521 11.3521 11.8561 11.8561 12.0801 12.0801 13.9502 13.9502 14.0441 14.0441 14.5394 14.5394 14.6735 14.6735 16.1600 16.1600 16.2467 16.2467 16.5648 16.5648 k = 0.4375 0.4375-0.0000 ( 3160 PWs) bands (ev): -48.0006 -48.0006 -47.9999 -47.9999 -22.4061 -22.4061 -22.4034 -22.4034 -14.8445 -14.8445 -14.8309 -14.8309 -14.6537 -14.6537 -14.6357 -14.6357 3.9302 3.9302 3.9504 3.9504 3.9993 3.9993 4.0461 4.0461 5.0831 5.0831 5.1508 5.1508 5.3418 5.3418 5.3852 5.3852 5.6592 5.6592 5.7435 5.7435 10.9577 10.9577 11.3702 11.3702 11.8480 11.8480 12.1132 12.1132 13.8643 13.8643 13.9376 13.9376 14.5475 14.5475 14.6870 14.6870 16.1747 16.1747 16.2901 16.2901 16.6437 16.6437 k = 0.4306 0.4306-0.0000 ( 3156 PWs) bands (ev): -48.0011 -48.0011 -48.0003 -48.0003 -22.4051 -22.4051 -22.4016 -22.4016 -14.8414 -14.8414 -14.8262 -14.8262 -14.6540 -14.6540 -14.6334 -14.6334 3.9335 3.9335 3.9548 3.9548 4.0065 4.0065 4.0579 4.0579 5.0766 5.0766 5.1519 5.1519 5.3324 5.3324 5.3853 5.3853 5.6422 5.6422 5.7393 5.7393 10.8694 10.8694 11.3892 11.3892 11.8432 11.8432 12.1499 12.1499 13.7825 13.7825 13.8302 13.8302 14.5562 14.5562 14.7018 14.7018 16.1892 16.1892 16.3365 16.3365 16.7199 16.7199 k = 0.4236 0.4236-0.0000 ( 3160 PWs) bands (ev): -48.0017 -48.0017 -48.0007 -48.0007 -22.4040 -22.4040 -22.3998 -22.3998 -14.8380 -14.8380 -14.8211 -14.8211 -14.6544 -14.6544 -14.6310 -14.6310 3.9374 3.9374 3.9595 3.9595 4.0144 4.0144 4.0705 4.0705 5.0697 5.0697 5.1528 5.1528 5.3218 5.3218 5.3853 5.3853 5.6239 5.6239 5.7347 5.7347 10.7707 10.7707 11.4085 11.4085 11.8413 11.8413 12.1900 12.1900 13.7055 13.7055 13.7235 13.7235 14.5652 14.5652 14.7179 14.7179 16.2038 16.2038 16.3849 16.3849 16.7913 16.7913 k = 0.4167 0.4167-0.0000 ( 3151 PWs) bands (ev): -48.0023 -48.0023 -48.0011 -48.0011 -22.4028 -22.4028 -22.3977 -22.3977 -14.8341 -14.8341 -14.8155 -14.8155 -14.6547 -14.6547 -14.6284 -14.6284 3.9421 3.9421 3.9647 3.9647 4.0231 4.0231 4.0838 4.0838 5.0627 5.0627 5.1533 5.1533 5.3105 5.3105 5.3853 5.3853 5.6047 5.6047 5.7298 5.7298 10.6627 10.6627 11.4274 11.4274 11.8416 11.8416 12.2333 12.2333 13.6172 13.6172 13.6356 13.6356 14.5742 14.5742 14.7351 14.7351 16.2187 16.2187 16.4347 16.4347 16.8552 16.8552 k = 0.4097 0.4097-0.0000 ( 3143 PWs) bands (ev): -48.0030 -48.0030 -48.0016 -48.0016 -22.4013 -22.4013 -22.3956 -22.3956 -14.8298 -14.8298 -14.8096 -14.8096 -14.6549 -14.6549 -14.6256 -14.6256 3.9473 3.9473 3.9702 3.9702 4.0324 4.0324 4.0977 4.0977 5.0555 5.0555 5.1536 5.1536 5.2982 5.2982 5.3853 5.3853 5.5848 5.5848 5.7243 5.7243 10.5466 10.5466 11.4450 11.4450 11.8432 11.8432 12.2798 12.2798 13.5153 13.5153 13.5704 13.5704 14.5830 14.5830 14.7532 14.7532 16.2339 16.2339 16.4848 16.4848 16.9078 16.9078 k = 0.4028 0.4028-0.0000 ( 3149 PWs) bands (ev): -48.0037 -48.0037 -48.0021 -48.0021 -22.3999 -22.3999 -22.3934 -22.3934 -14.8253 -14.8253 -14.8034 -14.8034 -14.6551 -14.6551 -14.6227 -14.6227 3.9530 3.9530 3.9761 3.9761 4.0423 4.0423 4.1119 4.1119 5.0479 5.0479 5.1534 5.1534 5.2850 5.2850 5.3854 5.3854 5.5640 5.5640 5.7185 5.7185 10.4237 10.4237 11.4604 11.4604 11.8451 11.8451 12.3294 12.3294 13.4176 13.4176 13.5120 13.5120 14.5913 14.5913 14.7720 14.7720 16.2491 16.2491 16.5340 16.5340 16.9405 16.9405 k = 0.3958 0.3958-0.0000 ( 3149 PWs) bands (ev): -48.0045 -48.0045 -48.0026 -48.0026 -22.3984 -22.3984 -22.3909 -22.3909 -14.8204 -14.8204 -14.7968 -14.7968 -14.6553 -14.6553 -14.6195 -14.6195 3.9592 3.9592 3.9824 3.9824 4.0527 4.0527 4.1266 4.1266 5.0402 5.0402 5.1526 5.1526 5.2711 5.2711 5.3855 5.3855 5.5426 5.5426 5.7124 5.7124 10.2951 10.2951 11.4724 11.4724 11.8463 11.8463 12.3817 12.3817 13.3259 13.3259 13.4605 13.4605 14.5986 14.5986 14.7915 14.7915 16.2643 16.2643 16.5801 16.5801 16.9384 16.9384 k = 0.3889 0.3889-0.0000 ( 3147 PWs) bands (ev): -48.0053 -48.0053 -48.0032 -48.0032 -22.3968 -22.3968 -22.3884 -22.3884 -14.8152 -14.8152 -14.7899 -14.7899 -14.6555 -14.6555 -14.6163 -14.6163 3.9659 3.9659 3.9893 3.9893 4.0636 4.0636 4.1418 4.1418 5.0325 5.0325 5.1511 5.1511 5.2566 5.2566 5.3856 5.3856 5.5210 5.5210 5.7061 5.7061 10.1619 10.1619 11.4795 11.4795 11.8458 11.8458 12.4369 12.4369 13.2416 13.2416 13.4161 13.4161 14.6047 14.6047 14.8113 14.8113 16.2788 16.2788 16.6191 16.6191 16.9047 16.9047 k = 0.3819 0.3819-0.0000 ( 3151 PWs) bands (ev): -48.0061 -48.0061 -48.0038 -48.0038 -22.3951 -22.3951 -22.3856 -22.3856 -14.8097 -14.8097 -14.7826 -14.7826 -14.6556 -14.6556 -14.6128 -14.6128 3.9730 3.9730 3.9965 3.9965 4.0749 4.0749 4.1572 4.1572 5.0246 5.0246 5.1485 5.1485 5.2419 5.2419 5.3858 5.3858 5.4990 5.4990 5.6994 5.6994 10.0249 10.0249 11.4802 11.4802 11.8427 11.8427 12.4946 12.4946 13.1665 13.1665 13.3789 13.3789 14.6092 14.6092 14.8313 14.8313 16.2917 16.2917 16.6411 16.6411 16.8668 16.8668 k = 0.3750 0.3750-0.0000 ( 3159 PWs) bands (ev): -48.0071 -48.0071 -48.0044 -48.0044 -22.3933 -22.3933 -22.3829 -22.3829 -14.8039 -14.8039 -14.7751 -14.7751 -14.6556 -14.6556 -14.6093 -14.6093 3.9804 3.9804 4.0043 4.0043 4.0866 4.0866 4.1729 4.1729 5.0166 5.0166 5.1443 5.1443 5.2275 5.2275 5.3861 5.3861 5.4769 5.4769 5.6924 5.6924 9.8851 9.8851 11.4730 11.4730 11.8360 11.8360 12.5547 12.5547 13.1021 13.1021 13.3491 13.3491 14.6118 14.6118 14.8511 14.8511 16.3016 16.3016 16.6305 16.6305 16.8517 16.8517 k = 0.3681 0.3681-0.0000 ( 3159 PWs) bands (ev): -48.0080 -48.0080 -48.0051 -48.0051 -22.3915 -22.3915 -22.3799 -22.3799 -14.7978 -14.7978 -14.7673 -14.7673 -14.6555 -14.6555 -14.6055 -14.6055 3.9881 3.9881 4.0127 4.0127 4.0986 4.0986 4.1887 4.1887 5.0088 5.0088 5.1378 5.1378 5.2142 5.2142 5.3864 5.3864 5.4550 5.4550 5.6853 5.6853 9.7430 9.7430 11.4563 11.4563 11.8251 11.8251 12.6172 12.6172 13.0500 13.0500 13.3267 13.3267 14.6121 14.6121 14.8706 14.8706 16.3051 16.3051 16.5887 16.5887 16.8663 16.8663 k = 0.3611 0.3611-0.0000 ( 3155 PWs) bands (ev): -48.0090 -48.0090 -48.0058 -48.0058 -22.3895 -22.3895 -22.3768 -22.3768 -14.7914 -14.7914 -14.7591 -14.7591 -14.6553 -14.6553 -14.6015 -14.6015 3.9959 3.9959 4.0217 4.0217 4.1108 4.1108 4.2046 4.2046 5.0010 5.0010 5.1282 5.1282 5.2028 5.2028 5.3869 5.3869 5.4335 5.4335 5.6781 5.6781 9.5994 9.5994 11.4292 11.4292 11.8093 11.8093 12.6818 12.6818 13.0112 13.0112 13.3115 13.3115 14.6096 14.6096 14.8895 14.8895 16.2962 16.2962 16.5393 16.5393 16.8953 16.8953 k = 0.3542 0.3542-0.0000 ( 3163 PWs) bands (ev): -48.0100 -48.0100 -48.0065 -48.0065 -22.3875 -22.3875 -22.3736 -22.3736 -14.7849 -14.7849 -14.7509 -14.7509 -14.6549 -14.6549 -14.5974 -14.5974 4.0037 4.0037 4.0312 4.0312 4.1232 4.1232 4.2204 4.2204 4.9933 4.9933 5.1150 5.1150 5.1938 5.1938 5.3872 5.3872 5.4124 5.4124 5.6706 5.6706 9.4549 9.4549 11.3910 11.3910 11.7880 11.7880 12.7484 12.7484 12.9861 12.9861 13.3033 13.3033 14.6041 14.6041 14.9073 14.9073 16.2672 16.2672 16.5024 16.5024 16.9266 16.9266 k = 0.3472 0.3472-0.0000 ( 3167 PWs) bands (ev): -48.0111 -48.0111 -48.0073 -48.0073 -22.3855 -22.3855 -22.3703 -22.3703 -14.7781 -14.7781 -14.7424 -14.7424 -14.6544 -14.6544 -14.5932 -14.5932 4.0116 4.0116 4.0412 4.0412 4.1356 4.1356 4.2361 4.2361 4.9859 4.9859 5.0985 5.0985 5.1870 5.1870 5.3861 5.3861 5.3937 5.3937 5.6631 5.6631 9.3098 9.3098 11.3417 11.3417 11.7611 11.7611 12.8169 12.8169 12.9744 12.9744 13.3016 13.3016 14.5953 14.5953 14.9237 14.9237 16.2170 16.2170 16.4847 16.4847 16.9248 16.9248 k = 0.3403 0.3403-0.0000 ( 3163 PWs) bands (ev): -48.0122 -48.0122 -48.0080 -48.0080 -22.3833 -22.3833 -22.3668 -22.3668 -14.7711 -14.7711 -14.7337 -14.7337 -14.6535 -14.6535 -14.5887 -14.5887 4.0195 4.0195 4.0520 4.0520 4.1481 4.1481 4.2516 4.2516 4.9789 4.9789 5.0795 5.0795 5.1818 5.1818 5.3707 5.3707 5.3901 5.3901 5.6554 5.6554 9.1647 9.1647 11.2822 11.2822 11.7284 11.7284 12.8871 12.8871 12.9754 12.9754 13.3056 13.3056 14.5829 14.5829 14.9385 14.9385 16.1544 16.1544 16.4798 16.4798 16.8676 16.8676 k = 0.3333 0.3333-0.0000 ( 3165 PWs) bands (ev): -48.0133 -48.0133 -48.0088 -48.0088 -22.3811 -22.3811 -22.3633 -22.3633 -14.7640 -14.7640 -14.7251 -14.7251 -14.6523 -14.6523 -14.5842 -14.5842 4.0274 4.0274 4.0631 4.0631 4.1606 4.1606 4.2666 4.2666 4.9722 4.9722 5.0585 5.0585 5.1773 5.1773 5.3519 5.3519 5.3908 5.3908 5.6477 5.6477 9.0200 9.0200 11.2133 11.2133 11.6900 11.6900 12.9587 12.9587 12.9874 12.9874 13.3146 13.3146 14.5667 14.5667 14.9512 14.9512 16.0886 16.0886 16.4789 16.4789 16.8023 16.8023 k = 0.3264 0.3264-0.0000 ( 3173 PWs) bands (ev): -48.0144 -48.0144 -48.0096 -48.0096 -22.3789 -22.3789 -22.3597 -22.3597 -14.7568 -14.7568 -14.7166 -14.7166 -14.6506 -14.6506 -14.5795 -14.5795 4.0351 4.0351 4.0747 4.0747 4.1728 4.1728 4.2811 4.2811 4.9660 4.9660 5.0362 5.0362 5.1730 5.1730 5.3339 5.3339 5.3919 5.3919 5.6398 5.6398 8.8758 8.8758 11.1366 11.1366 11.6460 11.6460 13.0085 13.0085 13.0321 13.0321 13.3277 13.3277 14.5466 14.5466 14.9615 14.9615 16.0251 16.0251 16.4745 16.4745 16.7382 16.7382 k = 0.3194 0.3194-0.0000 ( 3179 PWs) bands (ev): -48.0156 -48.0156 -48.0104 -48.0104 -22.3766 -22.3766 -22.3560 -22.3560 -14.7495 -14.7495 -14.7082 -14.7082 -14.6484 -14.6484 -14.5747 -14.5747 4.0427 4.0427 4.0867 4.0867 4.1849 4.1849 4.2950 4.2950 4.9603 4.9603 5.0131 5.0131 5.1684 5.1684 5.3172 5.3172 5.3932 5.3932 5.6319 5.6319 8.7326 8.7326 11.0534 11.0534 11.5966 11.5966 13.0374 13.0374 13.1062 13.1062 13.3440 13.3440 14.5227 14.5227 14.9690 14.9690 15.9670 15.9670 16.4582 16.4582 16.6844 16.6844 k = 0.3125 0.3125-0.0000 ( 3175 PWs) bands (ev): -48.0168 -48.0168 -48.0113 -48.0113 -22.3742 -22.3742 -22.3522 -22.3522 -14.7423 -14.7423 -14.7000 -14.7000 -14.6453 -14.6453 -14.5696 -14.5696 4.0503 4.0503 4.0989 4.0989 4.1969 4.1969 4.3081 4.3081 4.9554 4.9554 4.9897 4.9897 5.1634 5.1634 5.3021 5.3021 5.3948 5.3948 5.6241 5.6241 8.5906 8.5906 10.9649 10.9649 11.5422 11.5422 13.0717 13.0717 13.1813 13.1813 13.3626 13.3626 14.4951 14.4951 14.9734 14.9734 15.9164 15.9164 16.4218 16.4218 16.6501 16.6501 k = 0.3056 0.3056-0.0000 ( 3187 PWs) bands (ev): -48.0180 -48.0180 -48.0121 -48.0121 -22.3718 -22.3718 -22.3484 -22.3484 -14.7352 -14.7352 -14.6925 -14.6925 -14.6413 -14.6413 -14.5645 -14.5645 4.0576 4.0576 4.1112 4.1112 4.2084 4.2084 4.3202 4.3202 4.9512 4.9512 4.9661 4.9661 5.1574 5.1574 5.2885 5.2885 5.3966 5.3966 5.6161 5.6161 8.4501 8.4501 10.8724 10.8724 11.4829 11.4829 13.1098 13.1098 13.2569 13.2569 13.3828 13.3828 14.4640 14.4640 14.9744 14.9744 15.8743 15.8743 16.3667 16.3667 16.6354 16.6354 k = 0.2986 0.2986-0.0000 ( 3183 PWs) bands (ev): -48.0193 -48.0193 -48.0130 -48.0130 -22.3693 -22.3693 -22.3445 -22.3445 -14.7282 -14.7282 -14.6853 -14.6853 -14.6361 -14.6361 -14.5592 -14.5592 4.0648 4.0648 4.1237 4.1237 4.2196 4.2196 4.3314 4.3314 4.9427 4.9427 4.9480 4.9480 5.1504 5.1504 5.2769 5.2769 5.3987 5.3987 5.6084 5.6084 8.3112 8.3112 10.7768 10.7768 11.4191 11.4191 13.1498 13.1498 13.3320 13.3320 13.4045 13.4045 14.4298 14.4298 14.9718 14.9718 15.8417 15.8417 16.3021 16.3021 16.6328 16.6328 k = 0.2917 0.2917-0.0000 ( 3183 PWs) bands (ev): -48.0205 -48.0205 -48.0139 -48.0139 -22.3668 -22.3668 -22.3404 -22.3404 -14.7217 -14.7217 -14.6788 -14.6788 -14.6296 -14.6296 -14.5538 -14.5538 4.0716 4.0716 4.1360 4.1360 4.2303 4.2303 4.3414 4.3414 4.9199 4.9199 4.9456 4.9456 5.1423 5.1423 5.2671 5.2671 5.4010 5.4010 5.6007 5.6007 8.1742 8.1742 10.6790 10.6790 11.3511 11.3511 13.1900 13.1900 13.4000 13.4000 13.4333 13.4333 14.3930 14.3930 14.9654 14.9654 15.8189 15.8189 16.2362 16.2362 16.6357 16.6357 k = 0.2847 0.2847-0.0000 ( 3183 PWs) bands (ev): -48.0218 -48.0218 -48.0148 -48.0148 -22.3642 -22.3642 -22.3363 -22.3363 -14.7156 -14.7156 -14.6726 -14.6726 -14.6221 -14.6221 -14.5483 -14.5483 4.0782 4.0782 4.1482 4.1482 4.2405 4.2405 4.3500 4.3500 4.8979 4.8979 4.9441 4.9441 5.1332 5.1332 5.2592 5.2592 5.4037 5.4037 5.5931 5.5931 8.0391 8.0391 10.5796 10.5796 11.2792 11.2792 13.2286 13.2286 13.4351 13.4351 13.4940 13.4940 14.3543 14.3543 14.9550 14.9550 15.8062 15.8062 16.1739 16.1739 16.6408 16.6408 k = 0.2778 0.2778-0.0000 ( 3183 PWs) bands (ev): -48.0231 -48.0231 -48.0157 -48.0157 -22.3618 -22.3618 -22.3321 -22.3321 -14.7102 -14.7102 -14.6666 -14.6666 -14.6134 -14.6134 -14.5425 -14.5425 4.0844 4.0844 4.1599 4.1599 4.2500 4.2500 4.3573 4.3573 4.8768 4.8768 4.9436 4.9436 5.1235 5.1235 5.2529 5.2529 5.4066 5.4066 5.5856 5.5856 7.9062 7.9062 10.4793 10.4793 11.2037 11.2037 13.2642 13.2642 13.4559 13.4559 13.5669 13.5669 14.3148 14.3148 14.9404 14.9404 15.8035 15.8035 16.1186 16.1186 16.6462 16.6462 k = 0.2708 0.2708-0.0000 ( 3183 PWs) bands (ev): -48.0244 -48.0244 -48.0166 -48.0166 -22.3592 -22.3592 -22.3279 -22.3279 -14.7055 -14.7055 -14.6604 -14.6604 -14.6040 -14.6040 -14.5367 -14.5367 4.0900 4.0900 4.1712 4.1712 4.2588 4.2588 4.3631 4.3631 4.8571 4.8571 4.9439 4.9439 5.1134 5.1134 5.2479 5.2479 5.4098 5.4098 5.5785 5.5785 7.7756 7.7756 10.3785 10.3785 11.1249 11.1249 13.2951 13.2951 13.4740 13.4740 13.6388 13.6388 14.2761 14.2761 14.9215 14.9215 15.8104 15.8104 16.0728 16.0728 16.6514 16.6514 k = 0.2639 0.2639-0.0000 ( 3187 PWs) bands (ev): -48.0257 -48.0257 -48.0175 -48.0175 -22.3566 -22.3566 -22.3238 -22.3238 -14.7017 -14.7017 -14.6538 -14.6538 -14.5941 -14.5941 -14.5308 -14.5308 4.0951 4.0951 4.1819 4.1819 4.2670 4.2670 4.3674 4.3674 4.8390 4.8390 4.9449 4.9449 5.1033 5.1033 5.2438 5.2438 5.4131 5.4131 5.5714 5.5714 7.6475 7.6475 10.2775 10.2775 11.0432 11.0432 13.3202 13.3202 13.4905 13.4905 13.7063 13.7063 14.2407 14.2407 14.8982 14.8982 15.8264 15.8264 16.0383 16.0383 16.6557 16.6557 k = 0.2569 0.2569-0.0000 ( 3187 PWs) bands (ev): -48.0270 -48.0270 -48.0184 -48.0184 -22.3540 -22.3540 -22.3196 -22.3196 -14.6985 -14.6985 -14.6468 -14.6468 -14.5837 -14.5837 -14.5246 -14.5246 4.0996 4.0996 4.1917 4.1917 4.2745 4.2745 4.3703 4.3703 4.8228 4.8228 4.9465 4.9465 5.0938 5.0938 5.2406 5.2406 5.4167 5.4167 5.5647 5.5647 7.5219 7.5219 10.1768 10.1768 10.9589 10.9589 13.3383 13.3383 13.5057 13.5057 13.7649 13.7649 14.2131 14.2131 14.8706 14.8706 15.8505 15.8505 16.0169 16.0169 16.6592 16.6592 k = 0.2500 0.2500-0.0000 ( 3191 PWs) bands (ev): -48.0283 -48.0283 -48.0194 -48.0194 -22.3514 -22.3514 -22.3154 -22.3154 -14.6960 -14.6960 -14.6394 -14.6394 -14.5731 -14.5731 -14.5184 -14.5184 4.1031 4.1031 4.2006 4.2006 4.2812 4.2812 4.3717 4.3717 4.8088 4.8088 4.9482 4.9482 5.0853 5.0853 5.2379 5.2379 5.4203 5.4203 5.5584 5.5584 7.3990 7.3990 10.0765 10.0765 10.8722 10.8722 13.3488 13.3488 13.5198 13.5198 13.8077 13.8077 14.2003 14.2003 14.8387 14.8387 15.8814 15.8814 16.0099 16.0099 16.6620 16.6620 k = 0.2431 0.2431-0.0000 ( 3191 PWs) bands (ev): -48.0296 -48.0296 -48.0203 -48.0203 -22.3488 -22.3488 -22.3112 -22.3112 -14.6941 -14.6941 -14.6317 -14.6317 -14.5623 -14.5623 -14.5119 -14.5119 4.1058 4.1058 4.2083 4.2083 4.2872 4.2872 4.3718 4.3718 4.7972 4.7972 4.9498 4.9498 5.0784 5.0784 5.2355 5.2355 5.4241 5.4241 5.5526 5.5526 7.2789 7.2789 9.9770 9.9770 10.7837 10.7837 13.3512 13.3512 13.5329 13.5329 13.8271 13.8271 14.2102 14.2102 14.8030 14.8030 15.9172 15.9172 16.0182 16.0182 16.6643 16.6643 k = 0.2361 0.2361-0.0000 ( 3183 PWs) bands (ev): -48.0309 -48.0309 -48.0212 -48.0212 -22.3461 -22.3461 -22.3069 -22.3069 -14.6925 -14.6925 -14.6236 -14.6236 -14.5513 -14.5513 -14.5052 -14.5052 4.1074 4.1074 4.2147 4.2147 4.2925 4.2925 4.3709 4.3709 4.7882 4.7882 4.9508 4.9508 5.0736 5.0736 5.2334 5.2334 5.4278 5.4278 5.5475 5.5475 7.1617 7.1617 9.8784 9.8784 10.6936 10.6936 13.3455 13.3455 13.5452 13.5452 13.8211 13.8211 14.2449 14.2449 14.7639 14.7639 15.9562 15.9562 16.0419 16.0419 16.6668 16.6668 k = 0.2292 0.2292-0.0000 ( 3185 PWs) bands (ev): -48.0322 -48.0322 -48.0221 -48.0221 -22.3434 -22.3434 -22.3027 -22.3027 -14.6913 -14.6913 -14.6154 -14.6154 -14.5405 -14.5405 -14.4983 -14.4983 4.1078 4.1078 4.2196 4.2196 4.2970 4.2970 4.3691 4.3691 4.7819 4.7819 4.9507 4.9507 5.0710 5.0710 5.2314 5.2314 5.4313 5.4313 5.5430 5.5430 7.0474 7.0474 9.7809 9.7809 10.6022 10.6022 13.3320 13.3320 13.5566 13.5566 13.7961 13.7961 14.2984 14.2984 14.7222 14.7222 15.9974 15.9974 16.0794 16.0794 16.6702 16.6702 k = 0.2222 0.2222-0.0000 ( 3191 PWs) bands (ev): -48.0335 -48.0335 -48.0230 -48.0230 -22.3409 -22.3409 -22.2985 -22.2985 -14.6903 -14.6903 -14.6073 -14.6073 -14.5298 -14.5298 -14.4911 -14.4911 4.1068 4.1068 4.2228 4.2228 4.3007 4.3007 4.3666 4.3666 4.7784 4.7784 4.9492 4.9492 5.0710 5.0710 5.2294 5.2294 5.4343 5.4343 5.5394 5.5394 6.9364 6.9364 9.6847 9.6847 10.5100 10.5100 13.3111 13.3111 13.5664 13.5664 13.7609 13.7609 14.3623 14.3623 14.6791 14.6791 16.0402 16.0402 16.1279 16.1279 16.6754 16.6754 k = 0.2153 0.2153-0.0000 ( 3191 PWs) bands (ev): -48.0348 -48.0348 -48.0239 -48.0239 -22.3383 -22.3383 -22.2944 -22.2944 -14.6895 -14.6895 -14.5990 -14.5990 -14.5193 -14.5193 -14.4836 -14.4836 4.1044 4.1044 4.2244 4.2244 4.3037 4.3037 4.3640 4.3640 4.7777 4.7777 4.9465 4.9465 5.0735 5.0735 5.2275 5.2275 5.4368 5.4368 5.5371 5.5371 6.8285 6.8285 9.5900 9.5900 10.4172 10.4172 13.2837 13.2837 13.5723 13.5723 13.7236 13.7236 14.4288 14.4288 14.6379 14.6379 16.0824 16.0824 16.1850 16.1850 16.6832 16.6832 k = 0.2083 0.2083-0.0000 ( 3191 PWs) bands (ev): -48.0361 -48.0361 -48.0248 -48.0248 -22.3357 -22.3357 -22.2902 -22.2902 -14.6889 -14.6889 -14.5908 -14.5908 -14.5091 -14.5091 -14.4757 -14.4757 4.1005 4.1005 4.2243 4.2243 4.3059 4.3059 4.3615 4.3615 4.7796 4.7796 4.9427 4.9427 5.0781 5.0781 5.2257 5.2257 5.4384 5.4384 5.5360 5.5360 6.7240 6.7240 9.4968 9.4968 10.3242 10.3242 13.2507 13.2507 13.5678 13.5678 13.6939 13.6939 14.4825 14.4825 14.6115 14.6115 16.1202 16.1202 16.2498 16.2498 16.6942 16.6942 k = 0.2014 0.2014-0.0000 ( 3195 PWs) bands (ev): -48.0373 -48.0373 -48.0257 -48.0257 -22.3332 -22.3332 -22.2861 -22.2861 -14.6884 -14.6884 -14.5827 -14.5827 -14.4993 -14.4993 -14.4674 -14.4674 4.0950 4.0950 4.2222 4.2222 4.3073 4.3073 4.3594 4.3594 4.7841 4.7841 4.9382 4.9382 5.0841 5.0841 5.2241 5.2241 5.4391 5.4391 5.5363 5.5363 6.6229 6.6229 9.4053 9.4053 10.2313 10.2313 13.2130 13.2130 13.5442 13.5442 13.6824 13.6824 14.4850 14.4850 14.6371 14.6371 16.1497 16.1497 16.3206 16.3206 16.7087 16.7087 k = 0.1944 0.1944-0.0000 ( 3195 PWs) bands (ev): -48.0386 -48.0386 -48.0266 -48.0266 -22.3307 -22.3307 -22.2821 -22.2821 -14.6879 -14.6879 -14.5746 -14.5746 -14.4900 -14.4900 -14.4587 -14.4587 4.0881 4.0881 4.2183 4.2183 4.3083 4.3083 4.3579 4.3579 4.7909 4.7909 4.9333 4.9333 5.0910 5.0910 5.2226 5.2226 5.4388 5.4388 5.5381 5.5381 6.5253 6.5253 9.3156 9.3156 10.1388 10.1388 13.1717 13.1717 13.5038 13.5038 13.6884 13.6884 14.4475 14.4475 14.7032 14.7032 16.1689 16.1689 16.3934 16.3934 16.7282 16.7282 k = 0.1875 0.1875-0.0000 ( 3187 PWs) bands (ev): -48.0398 -48.0398 -48.0274 -48.0274 -22.3281 -22.3281 -22.2780 -22.2780 -14.6875 -14.6875 -14.5667 -14.5667 -14.4811 -14.4811 -14.4495 -14.4495 4.0800 4.0800 4.2126 4.2126 4.3090 4.3090 4.3570 4.3570 4.7999 4.7999 4.9284 4.9284 5.0982 5.0982 5.2215 5.2215 5.4377 5.4377 5.5411 5.5411 6.4315 6.4315 9.2279 9.2279 10.0470 10.0470 13.1278 13.1278 13.4551 13.4551 13.7041 13.7041 14.3996 14.3996 14.7795 14.7795 16.1777 16.1777 16.4600 16.4600 16.7582 16.7582 k = 0.1806 0.1806-0.0000 ( 3191 PWs) bands (ev): -48.0410 -48.0410 -48.0283 -48.0283 -22.3257 -22.3257 -22.2742 -22.2742 -14.6871 -14.6871 -14.5590 -14.5590 -14.4727 -14.4727 -14.4400 -14.4400 4.0705 4.0705 4.2051 4.2051 4.3097 4.3097 4.3564 4.3564 4.8106 4.8106 4.9236 4.9236 5.1049 5.1049 5.2211 5.2211 5.4356 5.4356 5.5452 5.5452 6.3415 6.3415 9.1422 9.1422 9.9562 9.9562 13.0819 13.0819 13.4030 13.4030 13.7251 13.7251 14.3489 14.3489 14.8585 14.8585 16.1771 16.1771 16.5098 16.5098 16.8082 16.8082 k = 0.1736 0.1736-0.0000 ( 3195 PWs) bands (ev): -48.0422 -48.0422 -48.0291 -48.0291 -22.3233 -22.3233 -22.2703 -22.2703 -14.6869 -14.6869 -14.5516 -14.5516 -14.4647 -14.4647 -14.4302 -14.4302 4.0599 4.0599 4.1961 4.1961 4.3105 4.3105 4.3560 4.3560 4.8228 4.8228 4.9190 4.9190 5.1106 5.1106 5.2216 5.2216 5.4329 5.4329 5.5502 5.5502 6.2555 6.2555 9.0587 9.0587 9.8667 9.8667 13.0348 13.0348 13.3498 13.3498 13.7498 13.7498 14.2972 14.2972 14.9382 14.9382 16.1690 16.1690 16.5369 16.5369 16.8839 16.8839 k = 0.1667 0.1667-0.0000 ( 3193 PWs) bands (ev): -48.0434 -48.0434 -48.0299 -48.0299 -22.3209 -22.3209 -22.2666 -22.2666 -14.6866 -14.6866 -14.5444 -14.5444 -14.4570 -14.4570 -14.4203 -14.4203 4.0484 4.0484 4.1859 4.1859 4.3116 4.3116 4.3557 4.3557 4.8364 4.8364 4.9149 4.9149 5.1147 5.1147 5.2233 5.2233 5.4298 5.4298 5.5557 5.5557 6.1738 6.1738 8.9774 8.9774 9.7786 9.7786 12.9873 12.9873 13.2965 13.2965 13.7773 13.7773 14.2456 14.2456 15.0177 15.0177 16.1552 16.1552 16.5460 16.5460 16.9805 16.9805 k = 0.1597 0.1597-0.0000 ( 3193 PWs) bands (ev): -48.0445 -48.0445 -48.0307 -48.0307 -22.3187 -22.3187 -22.2629 -22.2629 -14.6863 -14.6863 -14.5374 -14.5374 -14.4496 -14.4496 -14.4103 -14.4103 4.0364 4.0364 4.1748 4.1748 4.3129 4.3129 4.3553 4.3553 4.8511 4.8511 4.9112 4.9112 5.1167 5.1167 5.2265 5.2265 5.4264 5.4264 5.5615 5.5615 6.0965 6.0965 8.8985 8.8985 9.6923 9.6923 12.9397 12.9397 13.2438 13.2438 13.8072 13.8072 14.1944 14.1944 15.0962 15.0962 16.1373 16.1373 16.5445 16.5445 17.0904 17.0904 k = 0.1528 0.1528-0.0000 ( 3181 PWs) bands (ev): -48.0456 -48.0456 -48.0315 -48.0315 -22.3163 -22.3163 -22.2593 -22.2593 -14.6860 -14.6860 -14.5306 -14.5306 -14.4424 -14.4424 -14.4004 -14.4004 4.0238 4.0238 4.1629 4.1629 4.3146 4.3146 4.3549 4.3549 4.8665 4.8665 4.9082 4.9082 5.1167 5.1167 5.2311 5.2311 5.4229 5.4229 5.5673 5.5673 6.0239 6.0239 8.8221 8.8221 9.6079 9.6079 12.8926 12.8926 13.1921 13.1921 13.8393 13.8393 14.1440 14.1440 15.1732 15.1732 16.1167 16.1167 16.5373 16.5373 17.2075 17.2075 k = 0.1458 0.1458-0.0000 ( 3181 PWs) bands (ev): -48.0466 -48.0466 -48.0322 -48.0322 -22.3142 -22.3142 -22.2558 -22.2558 -14.6858 -14.6858 -14.5242 -14.5242 -14.4354 -14.4354 -14.3905 -14.3905 4.0110 4.0110 4.1505 4.1505 4.3163 4.3163 4.3541 4.3541 4.8823 4.8823 4.9057 4.9057 5.1143 5.1143 5.2370 5.2370 5.4192 5.4192 5.5725 5.5725 5.9566 5.9566 8.7482 8.7482 9.5257 9.5257 12.8463 12.8463 13.1417 13.1417 13.8733 13.8733 14.0948 14.0948 15.2483 15.2483 16.0947 16.0947 16.5271 16.5271 17.3267 17.3267 k = 0.1389 0.1389-0.0000 ( 3181 PWs) bands (ev): -48.0476 -48.0476 -48.0329 -48.0329 -22.3121 -22.3121 -22.2524 -22.2524 -14.6856 -14.6856 -14.5180 -14.5180 -14.4286 -14.4286 -14.3809 -14.3809 3.9979 3.9979 4.1378 4.1378 4.3181 4.3181 4.3531 4.3531 4.8972 4.8972 4.9047 4.9047 5.1100 5.1100 5.2437 5.2437 5.4155 5.4155 5.5766 5.5766 5.8950 5.8950 8.6770 8.6770 9.4458 9.4458 12.8011 12.8011 13.0927 13.0927 13.9089 13.9089 14.0470 14.0470 15.3206 15.3206 16.0724 16.0724 16.5153 16.5153 17.4416 17.4416 k = 0.1319 0.1319-0.0000 ( 3181 PWs) bands (ev): -48.0486 -48.0486 -48.0336 -48.0336 -22.3101 -22.3101 -22.2492 -22.2492 -14.6854 -14.6854 -14.5122 -14.5122 -14.4220 -14.4220 -14.3715 -14.3715 3.9849 3.9849 4.1249 4.1249 4.3198 4.3198 4.3519 4.3519 4.9007 4.9007 4.9154 4.9154 5.1042 5.1042 5.2511 5.2511 5.4120 5.4120 5.5789 5.5789 5.8400 5.8400 8.6085 8.6085 9.3685 9.3685 12.7573 12.7573 13.0455 13.0455 13.9457 13.9457 14.0011 14.0011 15.3895 15.3895 16.0512 16.0512 16.5029 16.5029 17.5431 17.5431 k = 0.1250 0.1250-0.0000 ( 3179 PWs) bands (ev): -48.0496 -48.0496 -48.0343 -48.0343 -22.3081 -22.3081 -22.2460 -22.2460 -14.6853 -14.6853 -14.5066 -14.5066 -14.4156 -14.4156 -14.3623 -14.3623 3.9720 3.9720 4.1120 4.1120 4.3216 4.3216 4.3506 4.3506 4.8998 4.8998 4.9302 4.9302 5.0973 5.0973 5.2587 5.2587 5.4087 5.4087 5.5780 5.5780 5.7929 5.7929 8.5429 8.5429 9.2939 9.2939 12.7152 12.7152 13.0001 13.0001 13.9539 13.9539 13.9867 13.9867 15.4538 15.4538 16.0323 16.0323 16.4903 16.4903 17.6250 17.6250 k = 0.1181 0.1181-0.0000 ( 3181 PWs) bands (ev): -48.0505 -48.0505 -48.0349 -48.0349 -22.3062 -22.3062 -22.2431 -22.2431 -14.6850 -14.6850 -14.5014 -14.5014 -14.4094 -14.4094 -14.3536 -14.3536 3.9592 3.9592 4.0994 4.0994 4.3233 4.3233 4.3490 4.3490 4.8990 4.8990 4.9439 4.9439 5.0901 5.0901 5.2662 5.2662 5.4055 5.4055 5.5722 5.5722 5.7556 5.7556 8.4802 8.4802 9.2222 9.2222 12.6748 12.6748 12.9567 12.9567 13.9121 13.9121 14.0252 14.0252 15.5121 15.5121 16.0173 16.0173 16.4779 16.4779 17.6902 17.6902 k = 0.1111 0.1111-0.0000 ( 3185 PWs) bands (ev): -48.0514 -48.0514 -48.0355 -48.0355 -22.3045 -22.3045 -22.2402 -22.2402 -14.6849 -14.6849 -14.4965 -14.4965 -14.4035 -14.4035 -14.3451 -14.3451 3.9467 3.9467 4.0869 4.0869 4.3249 4.3249 4.3474 4.3474 4.8986 4.8986 4.9551 4.9551 5.0837 5.0837 5.2734 5.2734 5.4026 5.4026 5.5599 5.5599 5.7293 5.7293 8.4206 8.4206 9.1535 9.1535 12.6364 12.6364 12.9154 12.9154 13.8713 13.8713 14.0654 14.0654 15.5626 15.5626 16.0082 16.0082 16.4660 16.4660 17.7438 17.7438 k = 0.1042 0.1042-0.0000 ( 3187 PWs) bands (ev): -48.0522 -48.0522 -48.0361 -48.0361 -22.3028 -22.3028 -22.2375 -22.2375 -14.6847 -14.6847 -14.4919 -14.4919 -14.3978 -14.3978 -14.3371 -14.3371 3.9348 3.9348 4.0748 4.0748 4.3263 4.3263 4.3457 4.3457 4.8985 4.8985 4.9623 4.9623 5.0798 5.0798 5.2803 5.2803 5.4000 5.4000 5.5413 5.5413 5.7137 5.7137 8.3641 8.3641 9.0881 9.0881 12.6000 12.6000 12.8762 12.8762 13.8325 13.8325 14.1062 14.1062 15.6032 15.6032 16.0072 16.0072 16.4546 16.4546 17.7895 17.7895 k = 0.0972 0.0972-0.0000 ( 3193 PWs) bands (ev): -48.0530 -48.0530 -48.0367 -48.0367 -22.3013 -22.3013 -22.2350 -22.2350 -14.6845 -14.6845 -14.4876 -14.4876 -14.3924 -14.3924 -14.3294 -14.3294 3.9233 3.9233 4.0630 4.0630 4.3275 4.3275 4.3440 4.3440 4.8986 4.8986 4.9641 4.9641 5.0798 5.0798 5.2865 5.2865 5.3977 5.3977 5.5188 5.5188 5.7066 5.7066 8.3108 8.3108 9.0260 9.0260 12.5657 12.5657 12.8392 12.8392 13.7957 13.7957 14.1472 14.1472 15.6320 15.6320 16.0159 16.0159 16.4439 16.4439 17.8294 17.8294 k = 0.0903 0.0903-0.0000 ( 3197 PWs) bands (ev): -48.0537 -48.0537 -48.0372 -48.0372 -22.2998 -22.2998 -22.2327 -22.2327 -14.6844 -14.6844 -14.4836 -14.4836 -14.3872 -14.3872 -14.3222 -14.3222 3.9123 3.9123 4.0518 4.0518 4.3284 4.3284 4.3423 4.3423 4.8990 4.8990 4.9600 4.9600 5.0844 5.0844 5.2920 5.2920 5.3957 5.3957 5.4951 5.4951 5.7048 5.7048 8.2608 8.2608 8.9675 8.9675 12.5337 12.5337 12.8045 12.8045 13.7612 13.7612 14.1881 14.1881 15.6490 15.6490 16.0345 16.0345 16.4341 16.4341 17.8646 17.8646 k = 0.0833 0.0833-0.0000 ( 3193 PWs) bands (ev): -48.0544 -48.0544 -48.0377 -48.0377 -22.2983 -22.2983 -22.2304 -22.2304 -14.6842 -14.6842 -14.4799 -14.4799 -14.3822 -14.3822 -14.3153 -14.3153 3.9021 3.9021 4.0412 4.0412 4.3291 4.3291 4.3408 4.3408 4.8997 4.8997 4.9510 4.9510 5.0931 5.0931 5.2967 5.2967 5.3942 5.3942 5.4722 5.4722 5.7062 5.7062 8.2142 8.2142 8.9126 8.9126 12.5039 12.5039 12.7723 12.7723 13.7290 13.7290 14.2284 14.2284 15.6556 15.6556 16.0612 16.0612 16.4252 16.4252 17.8957 17.8957 k = 0.0764 0.0764-0.0000 ( 3189 PWs) bands (ev): -48.0550 -48.0550 -48.0381 -48.0381 -22.2970 -22.2970 -22.2283 -22.2283 -14.6840 -14.6840 -14.4765 -14.4765 -14.3776 -14.3776 -14.3090 -14.3090 3.8925 3.8925 4.0313 4.0313 4.3295 4.3295 4.3395 4.3395 4.9004 4.9004 4.9388 4.9388 5.1041 5.1041 5.3008 5.3008 5.3929 5.3929 5.4510 5.4510 5.7093 5.7093 8.1710 8.1710 8.8616 8.8616 12.4765 12.4765 12.7424 12.7424 13.6991 13.6991 14.2679 14.2679 15.6546 15.6546 16.0930 16.0930 16.4175 16.4175 17.9229 17.9229 k = 0.0694 0.0694-0.0000 ( 3189 PWs) bands (ev): -48.0556 -48.0556 -48.0385 -48.0385 -22.2958 -22.2958 -22.2264 -22.2264 -14.6839 -14.6839 -14.4734 -14.4734 -14.3733 -14.3733 -14.3031 -14.3031 3.8836 3.8836 4.0220 4.0220 4.3294 4.3294 4.3385 4.3385 4.9012 4.9012 4.9248 4.9248 5.1163 5.1163 5.3041 5.3041 5.3920 5.3920 5.4319 5.4319 5.7132 5.7132 8.1313 8.1313 8.8144 8.8144 12.4514 12.4514 12.7150 12.7150 13.6717 13.6717 14.3060 14.3060 15.6488 15.6488 16.1271 16.1271 16.4111 16.4111 17.9461 17.9461 k = 0.0625 0.0625-0.0000 ( 3189 PWs) bands (ev): -48.0561 -48.0561 -48.0389 -48.0389 -22.2947 -22.2947 -22.2246 -22.2246 -14.6838 -14.6838 -14.4706 -14.4706 -14.3694 -14.3694 -14.2977 -14.2977 3.8755 3.8755 4.0135 4.0135 4.3289 4.3289 4.3377 4.3377 4.9013 4.9013 4.9108 4.9108 5.1289 5.1289 5.3067 5.3067 5.3912 5.3912 5.4151 5.4151 5.7176 5.7176 8.0952 8.0952 8.7714 8.7714 12.4286 12.4286 12.6900 12.6900 13.6467 13.6467 14.3424 14.3424 15.6402 15.6402 16.1609 16.1609 16.4062 16.4062 17.9653 17.9653 k = 0.0556 0.0556-0.0000 ( 3185 PWs) bands (ev): -48.0566 -48.0566 -48.0392 -48.0392 -22.2936 -22.2936 -22.2230 -22.2230 -14.6836 -14.6836 -14.4681 -14.4681 -14.3658 -14.3658 -14.2929 -14.2929 3.8682 3.8682 4.0058 4.0058 4.3282 4.3282 4.3373 4.3373 4.8939 4.8939 4.9046 4.9046 5.1415 5.1415 5.3087 5.3087 5.3904 5.3904 5.4008 5.4008 5.7221 5.7221 8.0628 8.0628 8.7325 8.7325 12.4083 12.4083 12.6677 12.6677 13.6243 13.6243 14.3766 14.3766 15.6304 15.6304 16.1926 16.1926 16.4031 16.4031 17.9803 17.9803 k = 0.0486 0.0486-0.0000 ( 3195 PWs) bands (ev): -48.0570 -48.0570 -48.0395 -48.0395 -22.2928 -22.2928 -22.2217 -22.2217 -14.6836 -14.6836 -14.4660 -14.4660 -14.3627 -14.3627 -14.2886 -14.2886 3.8615 3.8615 3.9988 3.9988 4.3272 4.3272 4.3370 4.3370 4.8805 4.8805 4.9049 4.9049 5.1534 5.1534 5.3102 5.3102 5.3855 5.3855 5.3923 5.3923 5.7262 5.7262 8.0340 8.0340 8.6978 8.6978 12.3903 12.3903 12.6478 12.6478 13.6044 13.6044 14.4081 14.4081 15.6203 15.6203 16.2206 16.2206 16.4020 16.4020 17.9909 17.9909 k = 0.0417 0.0417-0.0000 ( 3199 PWs) bands (ev): -48.0574 -48.0574 -48.0398 -48.0398 -22.2921 -22.2921 -22.2205 -22.2205 -14.6835 -14.6835 -14.4641 -14.4641 -14.3600 -14.3600 -14.2849 -14.2849 3.8558 3.8558 3.9927 3.9927 4.3262 4.3262 4.3368 4.3368 4.8678 4.8678 4.9057 4.9057 5.1644 5.1644 5.3113 5.3113 5.3755 5.3755 5.3911 5.3911 5.7301 5.7301 8.0089 8.0089 8.6676 8.6676 12.3747 12.3747 12.6306 12.6306 13.5871 13.5871 14.4366 14.4366 15.6107 15.6107 16.2441 16.2441 16.4033 16.4033 17.9973 17.9973 k = 0.0347 0.0347-0.0000 ( 3203 PWs) bands (ev): -48.0577 -48.0577 -48.0400 -48.0400 -22.2915 -22.2915 -22.2196 -22.2196 -14.6834 -14.6834 -14.4625 -14.4625 -14.3576 -14.3576 -14.2818 -14.2818 3.8509 3.8509 3.9875 3.9875 4.3251 4.3251 4.3367 4.3367 4.8566 4.8566 4.9064 4.9064 5.1743 5.1743 5.3122 5.3122 5.3664 5.3664 5.3907 5.3907 5.7335 5.7335 7.9877 7.9877 8.6418 8.6418 12.3615 12.3615 12.6160 12.6160 13.5724 13.5724 14.4615 14.4615 15.6020 15.6020 16.2623 16.2623 16.4067 16.4067 17.9998 17.9998 k = 0.0278 0.0278-0.0000 ( 3199 PWs) bands (ev): -48.0580 -48.0580 -48.0402 -48.0402 -22.2909 -22.2909 -22.2187 -22.2187 -14.6833 -14.6833 -14.4612 -14.4612 -14.3557 -14.3557 -14.2791 -14.2791 3.8469 3.8469 3.9833 3.9833 4.3243 4.3243 4.3366 4.3366 4.8470 4.8470 4.9071 4.9071 5.1829 5.1829 5.3131 5.3131 5.3587 5.3587 5.3906 5.3906 5.7365 5.7365 7.9702 7.9702 8.6207 8.6207 12.3507 12.3507 12.6040 12.6040 13.5603 13.5603 14.4825 14.4825 15.5945 15.5945 16.2754 16.2754 16.4119 16.4119 17.9993 17.9993 k = 0.0208 0.0208-0.0000 ( 3205 PWs) bands (ev): -48.0582 -48.0582 -48.0403 -48.0403 -22.2905 -22.2905 -22.2181 -22.2181 -14.6832 -14.6832 -14.4602 -14.4602 -14.3542 -14.3542 -14.2771 -14.2771 3.8439 3.8439 3.9800 3.9800 4.3235 4.3235 4.3365 4.3365 4.8394 4.8394 4.9076 4.9076 5.1897 5.1897 5.3135 5.3135 5.3527 5.3527 5.3904 5.3904 5.7389 5.7389 7.9566 7.9566 8.6041 8.6041 12.3423 12.3423 12.5947 12.5947 13.5509 13.5509 14.4993 14.4993 15.5886 15.5886 16.2842 16.2842 16.4176 16.4176 17.9971 17.9971 k = 0.0139 0.0139-0.0000 ( 3205 PWs) bands (ev): -48.0583 -48.0583 -48.0404 -48.0404 -22.2902 -22.2902 -22.2177 -22.2177 -14.6832 -14.6832 -14.4595 -14.4595 -14.3531 -14.3531 -14.2757 -14.2757 3.8416 3.8416 3.9776 3.9776 4.3230 4.3230 4.3364 4.3364 4.8339 4.8339 4.9080 4.9080 5.1949 5.1949 5.3140 5.3140 5.3482 5.3482 5.3904 5.3904 5.7407 5.7407 7.9469 7.9469 8.5923 8.5923 12.3363 12.3363 12.5880 12.5880 13.5442 13.5442 14.5115 14.5115 15.5842 15.5842 16.2896 16.2896 16.4228 16.4228 17.9944 17.9944 k = 0.0069 0.0069-0.0000 ( 3205 PWs) bands (ev): -48.0584 -48.0584 -48.0405 -48.0405 -22.2900 -22.2900 -22.2174 -22.2174 -14.6832 -14.6832 -14.4591 -14.4591 -14.3524 -14.3524 -14.2747 -14.2747 3.8403 3.8403 3.9762 3.9762 4.3227 4.3227 4.3363 4.3363 4.8305 4.8305 4.9082 4.9082 5.1983 5.1983 5.3143 5.3143 5.3454 5.3454 5.3903 5.3903 5.7417 5.7417 7.9410 7.9410 8.5851 8.5851 12.3327 12.3327 12.5840 12.5840 13.5402 13.5402 14.5189 14.5189 15.5815 15.5815 16.2925 16.2925 16.4263 16.4263 17.9922 17.9922 k = 0.0000 0.0000 0.0000 ( 3205 PWs) bands (ev): -48.0585 -48.0585 -48.0405 -48.0405 -22.2899 -22.2899 -22.2173 -22.2173 -14.6832 -14.6832 -14.4590 -14.4590 -14.3522 -14.3522 -14.2744 -14.2744 3.8399 3.8399 3.9756 3.9756 4.3227 4.3227 4.3362 4.3362 4.8294 4.8294 4.9083 4.9083 5.1994 5.1994 5.3144 5.3144 5.3444 5.3444 5.3903 5.3903 5.7420 5.7420 7.9391 7.9391 8.5827 8.5827 12.3315 12.3315 12.5827 12.5827 13.5388 13.5388 14.5214 14.5214 15.5806 15.5806 16.2934 16.2934 16.4276 16.4276 17.9914 17.9914 k = 0.0000 0.0000 0.0000 ( 3205 PWs) bands (ev): -48.0585 -48.0585 -48.0405 -48.0405 -22.2899 -22.2899 -22.2173 -22.2173 -14.6832 -14.6832 -14.4590 -14.4590 -14.3522 -14.3522 -14.2744 -14.2744 3.8399 3.8399 3.9756 3.9756 4.3227 4.3227 4.3362 4.3362 4.8294 4.8294 4.9083 4.9083 5.1994 5.1994 5.3144 5.3144 5.3444 5.3444 5.3903 5.3903 5.7420 5.7420 7.9391 7.9391 8.5827 8.5827 12.3315 12.3315 12.5827 12.5827 13.5388 13.5388 14.5214 14.5214 15.5806 15.5806 16.2934 16.2934 16.4276 16.4276 17.9914 17.9914 k = 0.0000 0.0000 0.0094 ( 3193 PWs) bands (ev): -48.0584 -48.0584 -48.0405 -48.0405 -22.2899 -22.2899 -22.2171 -22.2171 -14.6831 -14.6831 -14.4588 -14.4588 -14.3521 -14.3521 -14.2744 -14.2744 3.8399 3.8399 3.9757 3.9757 4.3227 4.3227 4.3364 4.3364 4.8300 4.8300 4.9084 4.9084 5.1994 5.1994 5.3152 5.3152 5.3445 5.3445 5.3904 5.3904 5.7421 5.7421 7.9205 7.9205 8.6035 8.6035 12.3286 12.3286 12.5827 12.5827 13.5388 13.5388 14.5219 14.5219 15.5773 15.5773 16.2935 16.2935 16.4284 16.4284 17.9889 17.9889 k = 0.0000 0.0000 0.0189 ( 3193 PWs) bands (ev): -48.0584 -48.0584 -48.0405 -48.0405 -22.2899 -22.2899 -22.2171 -22.2171 -14.6832 -14.6832 -14.4588 -14.4588 -14.3521 -14.3521 -14.2744 -14.2744 3.8399 3.8399 3.9757 3.9757 4.3227 4.3227 4.3363 4.3363 4.8314 4.8314 4.9084 4.9084 5.1995 5.1995 5.3168 5.3168 5.3446 5.3446 5.3905 5.3905 5.7422 5.7422 7.8707 7.8707 8.6597 8.6597 12.3197 12.3197 12.5828 12.5828 13.5388 13.5388 14.5234 14.5234 15.5674 15.5674 16.2940 16.2940 16.4310 16.4310 17.9815 17.9815 k = 0.0000 0.0000 0.0283 ( 3200 PWs) bands (ev): -48.0584 -48.0584 -48.0405 -48.0405 -22.2900 -22.2900 -22.2171 -22.2171 -14.6833 -14.6833 -14.4588 -14.4588 -14.3521 -14.3521 -14.2744 -14.2744 3.8399 3.8399 3.9757 3.9757 4.3226 4.3226 4.3364 4.3364 4.8338 4.8338 4.9084 4.9084 5.1994 5.1994 5.3199 5.3199 5.3444 5.3444 5.3903 5.3903 5.7421 5.7421 7.8013 7.8013 8.7398 8.7398 12.3049 12.3049 12.5829 12.5829 13.5386 13.5386 14.5260 14.5260 15.5511 15.5511 16.2949 16.2949 16.4352 16.4352 17.9693 17.9693 k = 0.0000 0.0000 0.0378 ( 3200 PWs) bands (ev): -48.0584 -48.0584 -48.0405 -48.0405 -22.2900 -22.2900 -22.2171 -22.2171 -14.6833 -14.6833 -14.4588 -14.4588 -14.3521 -14.3521 -14.2744 -14.2744 3.8399 3.8399 3.9758 3.9758 4.3226 4.3226 4.3364 4.3364 4.8370 4.8370 4.9085 4.9085 5.1994 5.1994 5.3241 5.3241 5.3444 5.3444 5.3903 5.3903 5.7420 5.7420 7.7216 7.7216 8.8343 8.8343 12.2843 12.2843 12.5830 12.5830 13.5385 13.5385 14.5294 14.5294 15.5289 15.5289 16.2966 16.2966 16.4411 16.4411 17.9527 17.9527 k = 0.0000 0.0000 0.0472 ( 3208 PWs) bands (ev): -48.0585 -48.0585 -48.0405 -48.0405 -22.2901 -22.2901 -22.2172 -22.2172 -14.6833 -14.6833 -14.4588 -14.4588 -14.3522 -14.3522 -14.2745 -14.2745 3.8398 3.8398 3.9759 3.9759 4.3226 4.3226 4.3364 4.3364 4.8410 4.8410 4.9084 4.9084 5.1993 5.1993 5.3296 5.3296 5.3444 5.3444 5.3902 5.3902 5.7419 5.7419 7.6375 7.6375 8.9374 8.9374 12.2581 12.2581 12.5832 12.5832 13.5383 13.5383 14.5338 14.5338 15.5015 15.5015 16.2992 16.2992 16.4484 16.4484 17.9322 17.9322 k = 0.0000 0.0000 0.0566 ( 3204 PWs) bands (ev): -48.0584 -48.0584 -48.0405 -48.0405 -22.2901 -22.2901 -22.2172 -22.2172 -14.6833 -14.6833 -14.4589 -14.4589 -14.3522 -14.3522 -14.2744 -14.2744 3.8400 3.8400 3.9759 3.9759 4.3226 4.3226 4.3364 4.3364 4.8456 4.8456 4.9085 4.9085 5.1993 5.1993 5.3361 5.3361 5.3448 5.3448 5.3903 5.3903 5.7420 5.7420 7.5522 7.5522 9.0456 9.0456 12.2264 12.2264 12.5835 12.5835 13.5381 13.5381 14.5390 14.5390 15.4694 15.4694 16.3030 16.3030 16.4571 16.4571 17.9082 17.9082 k = 0.0000 0.0000 0.0661 ( 3204 PWs) bands (ev): -48.0584 -48.0584 -48.0405 -48.0405 -22.2901 -22.2901 -22.2172 -22.2172 -14.6833 -14.6833 -14.4588 -14.4588 -14.3522 -14.3522 -14.2745 -14.2745 3.8398 3.8398 3.9762 3.9762 4.3226 4.3226 4.3364 4.3364 4.8507 4.8507 4.9085 4.9085 5.1993 5.1993 5.3425 5.3425 5.3462 5.3462 5.3902 5.3902 5.7419 5.7419 7.4679 7.4679 9.1566 9.1566 12.1895 12.1895 12.5837 12.5837 13.5378 13.5378 14.5449 14.5449 15.4338 15.4338 16.3080 16.3080 16.4669 16.4669 17.8816 17.8816 k = 0.0000 0.0000 0.0755 ( 3208 PWs) bands (ev): -48.0585 -48.0585 -48.0405 -48.0405 -22.2901 -22.2901 -22.2172 -22.2172 -14.6833 -14.6833 -14.4589 -14.4589 -14.3522 -14.3522 -14.2745 -14.2745 3.8398 3.8398 3.9764 3.9764 4.3226 4.3226 4.3363 4.3363 4.8561 4.8561 4.9085 4.9085 5.1992 5.1992 5.3439 5.3439 5.3538 5.3538 5.3902 5.3902 5.7418 5.7418 7.3859 7.3859 9.2688 9.2688 12.1477 12.1477 12.5840 12.5840 13.5375 13.5375 14.5514 14.5514 15.3956 15.3956 16.3142 16.3142 16.4778 16.4778 17.8528 17.8528 k = 0.0000 0.0000 0.0850 ( 3212 PWs) bands (ev): -48.0584 -48.0584 -48.0405 -48.0405 -22.2903 -22.2903 -22.2172 -22.2172 -14.6834 -14.6834 -14.4588 -14.4588 -14.3523 -14.3523 -14.2745 -14.2745 3.8399 3.8399 3.9764 3.9764 4.3227 4.3227 4.3364 4.3364 4.8616 4.8616 4.9086 4.9086 5.1990 5.1990 5.3439 5.3439 5.3635 5.3635 5.3901 5.3901 5.7417 5.7417 7.3073 7.3073 9.3809 9.3809 12.1014 12.1014 12.5843 12.5843 13.5372 13.5372 14.5584 14.5584 15.3559 15.3559 16.3215 16.3215 16.4895 16.4895 17.8228 17.8228 k = 0.0000 0.0000 0.0944 ( 3208 PWs) bands (ev): -48.0584 -48.0584 -48.0405 -48.0405 -22.2902 -22.2902 -22.2171 -22.2171 -14.6833 -14.6833 -14.4588 -14.4588 -14.3522 -14.3522 -14.2745 -14.2745 3.8399 3.8399 3.9767 3.9767 4.3227 4.3227 4.3364 4.3364 4.8672 4.8672 4.9087 4.9087 5.1990 5.1990 5.3440 5.3440 5.3742 5.3742 5.3901 5.3901 5.7417 5.7417 7.2330 7.2330 9.4915 9.4915 12.0515 12.0515 12.5846 12.5846 13.5370 13.5370 14.5658 14.5658 15.3159 15.3159 16.3297 16.3297 16.5016 16.5016 17.7924 17.7924 k = 0.0000 0.0000 0.1038 ( 3208 PWs) bands (ev): -48.0584 -48.0584 -48.0405 -48.0405 -22.2902 -22.2902 -22.2171 -22.2171 -14.6833 -14.6833 -14.4589 -14.4589 -14.3522 -14.3522 -14.2745 -14.2745 3.8399 3.8399 3.9769 3.9769 4.3227 4.3227 4.3364 4.3364 4.8725 4.8725 4.9087 4.9087 5.1990 5.1990 5.3440 5.3440 5.3854 5.3854 5.3900 5.3900 5.7417 5.7417 7.1637 7.1637 9.5994 9.5994 11.9987 11.9987 12.5848 12.5848 13.5367 13.5367 14.5735 14.5735 15.2766 15.2766 16.3386 16.3386 16.5139 16.5139 17.7622 17.7622 k = 0.0000 0.0000 0.1133 ( 3208 PWs) bands (ev): -48.0584 -48.0584 -48.0405 -48.0405 -22.2902 -22.2902 -22.2172 -22.2172 -14.6833 -14.6833 -14.4589 -14.4589 -14.3522 -14.3522 -14.2745 -14.2745 3.8399 3.8399 3.9771 3.9771 4.3227 4.3227 4.3364 4.3364 4.8776 4.8776 4.9087 4.9087 5.1990 5.1990 5.3440 5.3440 5.3900 5.3900 5.3970 5.3970 5.7416 5.7416 7.1002 7.1002 9.7030 9.7030 11.9442 11.9442 12.5851 12.5851 13.5364 13.5364 14.5811 14.5811 15.2390 15.2390 16.3478 16.3478 16.5260 16.5260 17.7332 17.7332 k = 0.0000 0.0000 0.1227 ( 3208 PWs) bands (ev): -48.0584 -48.0584 -48.0405 -48.0405 -22.2902 -22.2902 -22.2172 -22.2172 -14.6833 -14.6833 -14.4589 -14.4589 -14.3522 -14.3522 -14.2745 -14.2745 3.8399 3.8399 3.9773 3.9773 4.3227 4.3227 4.3364 4.3364 4.8822 4.8822 4.9087 4.9087 5.1990 5.1990 5.3440 5.3440 5.3900 5.3900 5.4084 5.4084 5.7416 5.7416 7.0431 7.0431 9.8007 9.8007 11.8894 11.8894 12.5854 12.5854 13.5362 13.5362 14.5886 14.5886 15.2041 15.2041 16.3570 16.3570 16.5376 16.5376 17.7061 17.7061 k = 0.0000 0.0000 0.1322 ( 3212 PWs) bands (ev): -48.0585 -48.0585 -48.0405 -48.0405 -22.2902 -22.2902 -22.2172 -22.2172 -14.6833 -14.6833 -14.4590 -14.4590 -14.3522 -14.3522 -14.2745 -14.2745 3.8400 3.8400 3.9775 3.9775 4.3226 4.3226 4.3363 4.3363 4.8863 4.8863 4.9086 4.9086 5.1989 5.1989 5.3440 5.3440 5.3900 5.3900 5.4192 5.4192 5.7416 5.7416 6.9932 6.9932 9.8905 9.8905 11.8362 11.8362 12.5856 12.5856 13.5359 13.5359 14.5957 14.5957 15.1728 15.1728 16.3657 16.3657 16.5483 16.5483 17.6817 17.6817 k = 0.0000 0.0000 0.1416 ( 3216 PWs) bands (ev): -48.0585 -48.0585 -48.0405 -48.0405 -22.2902 -22.2902 -22.2173 -22.2173 -14.6833 -14.6833 -14.4591 -14.4591 -14.3522 -14.3522 -14.2745 -14.2745 3.8400 3.8400 3.9775 3.9775 4.3226 4.3226 4.3362 4.3362 4.8897 4.8897 4.9086 4.9086 5.1989 5.1989 5.3440 5.3440 5.3900 5.3900 5.4289 5.4289 5.7415 5.7415 6.9512 6.9512 9.9699 9.9699 11.7868 11.7868 12.5858 12.5858 13.5357 13.5357 14.6022 14.6022 15.1459 15.1459 16.3735 16.3735 16.5577 16.5577 17.6606 17.6606 k = 0.0000 0.0000 0.1510 ( 3216 PWs) bands (ev): -48.0585 -48.0585 -48.0405 -48.0405 -22.2902 -22.2902 -22.2173 -22.2173 -14.6832 -14.6832 -14.4591 -14.4591 -14.3522 -14.3522 -14.2746 -14.2746 3.8400 3.8400 3.9776 3.9776 4.3226 4.3226 4.3362 4.3362 4.8925 4.8925 4.9087 4.9087 5.1989 5.1989 5.3440 5.3440 5.3899 5.3899 5.4373 5.4373 5.7415 5.7415 6.9177 6.9177 10.0363 10.0363 11.7439 11.7439 12.5860 12.5860 13.5356 13.5356 14.6076 14.6076 15.1240 15.1240 16.3801 16.3801 16.5655 16.5655 17.6435 17.6435 k = 0.0000 0.0000 0.1605 ( 3216 PWs) bands (ev): -48.0585 -48.0585 -48.0405 -48.0405 -22.2902 -22.2902 -22.2173 -22.2173 -14.6832 -14.6832 -14.4591 -14.4591 -14.3522 -14.3522 -14.2746 -14.2746 3.8400 3.8400 3.9777 3.9777 4.3226 4.3226 4.3362 4.3362 4.8945 4.8945 4.9087 4.9087 5.1989 5.1989 5.3440 5.3440 5.3899 5.3899 5.4436 5.4436 5.7415 5.7415 6.8933 6.8933 10.0866 10.0866 11.7103 11.7103 12.5861 12.5861 13.5355 13.5355 14.6118 14.6118 15.1079 15.1079 16.3850 16.3850 16.5713 16.5713 17.6308 17.6308 k = 0.0000 0.0000 0.1699 ( 3216 PWs) bands (ev): -48.0585 -48.0585 -48.0405 -48.0405 -22.2902 -22.2902 -22.2173 -22.2173 -14.6832 -14.6832 -14.4591 -14.4591 -14.3522 -14.3522 -14.2746 -14.2746 3.8400 3.8400 3.9778 3.9778 4.3226 4.3226 4.3362 4.3362 4.8957 4.8957 4.9087 4.9087 5.1989 5.1989 5.3440 5.3440 5.3899 5.3899 5.4475 5.4475 5.7415 5.7415 6.8784 6.8784 10.1182 10.1182 11.6888 11.6888 12.5862 12.5862 13.5354 13.5354 14.6145 14.6145 15.0981 15.0981 16.3881 16.3881 16.5749 16.5749 17.6231 17.6231 k = 0.0000 0.0000 0.1794 ( 3204 PWs) bands (ev): -48.0584 -48.0584 -48.0405 -48.0405 -22.2902 -22.2902 -22.2171 -22.2171 -14.6832 -14.6832 -14.4590 -14.4590 -14.3522 -14.3522 -14.2745 -14.2745 3.8400 3.8400 3.9778 3.9778 4.3228 4.3228 4.3364 4.3364 4.8962 4.8962 4.9089 4.9089 5.1991 5.1991 5.3440 5.3440 5.3899 5.3899 5.4489 5.4489 5.7415 5.7415 6.8734 6.8734 10.1290 10.1290 11.6813 11.6813 12.5862 12.5862 13.5354 13.5354 14.6154 14.6154 15.0947 15.0947 16.3892 16.3892 16.5761 16.5761 17.6205 17.6205 k = 0.0000 0.0000 0.1794 ( 3204 PWs) bands (ev): -48.0584 -48.0584 -48.0405 -48.0405 -22.2902 -22.2902 -22.2171 -22.2171 -14.6832 -14.6832 -14.4590 -14.4590 -14.3522 -14.3522 -14.2745 -14.2745 3.8400 3.8400 3.9778 3.9778 4.3228 4.3228 4.3364 4.3364 4.8962 4.8962 4.9089 4.9089 5.1991 5.1991 5.3440 5.3440 5.3899 5.3899 5.4489 5.4489 5.7415 5.7415 6.8734 6.8734 10.1290 10.1290 11.6813 11.6813 12.5862 12.5862 13.5354 13.5354 14.6154 14.6154 15.0947 15.0947 16.3892 16.3892 16.5761 16.5761 17.6205 17.6205 k = 0.0000 0.0098 0.1794 ( 3214 PWs) bands (ev): -48.0584 -48.0584 -48.0405 -48.0405 -22.2903 -22.2903 -22.2174 -22.2174 -14.6832 -14.6832 -14.4592 -14.4592 -14.3524 -14.3524 -14.2748 -14.2748 3.8404 3.8404 3.9783 3.9783 4.3227 4.3227 4.3362 4.3362 4.8969 4.8969 4.9086 4.9086 5.1979 5.1979 5.3440 5.3440 5.3899 5.3899 5.4498 5.4498 5.7413 5.7413 6.8759 6.8759 10.1313 10.1313 11.6815 11.6815 12.5875 12.5875 13.5367 13.5367 14.6147 14.6147 15.0940 15.0940 16.3892 16.3892 16.5760 16.5760 17.6202 17.6202 k = 0.0000 0.0196 0.1794 ( 3210 PWs) bands (ev): -48.0583 -48.0583 -48.0405 -48.0405 -22.2904 -22.2904 -22.2176 -22.2176 -14.6832 -14.6832 -14.4597 -14.4597 -14.3530 -14.3530 -14.2757 -14.2757 3.8418 3.8418 3.9797 3.9797 4.3231 4.3231 4.3362 4.3362 4.8988 4.8988 4.9086 4.9086 5.1949 5.1949 5.3440 5.3440 5.3900 5.3900 5.4526 5.4526 5.7410 5.7410 6.8832 6.8832 10.1384 10.1384 11.6820 11.6820 12.5916 12.5916 13.5405 13.5405 14.6128 14.6128 15.0918 15.0918 16.3891 16.3891 16.5755 16.5755 17.6192 17.6192 k = 0.0000 0.0294 0.1794 ( 3206 PWs) bands (ev): -48.0582 -48.0582 -48.0404 -48.0404 -22.2907 -22.2907 -22.2181 -22.2181 -14.6833 -14.6833 -14.4604 -14.4604 -14.3541 -14.3541 -14.2771 -14.2771 3.8439 3.8439 3.9821 3.9821 4.3235 4.3235 4.3361 4.3361 4.9006 4.9006 4.9099 4.9099 5.1899 5.1899 5.3437 5.3437 5.3904 5.3904 5.4571 5.4571 5.7404 5.7404 6.8954 6.8954 10.1501 10.1501 11.6828 11.6828 12.5984 12.5984 13.5470 13.5470 14.6095 14.6095 15.0882 15.0882 16.3890 16.3890 16.5749 16.5749 17.6176 17.6176 k = 0.0000 0.0392 0.1794 ( 3206 PWs) bands (ev): -48.0580 -48.0580 -48.0402 -48.0402 -22.2911 -22.2911 -22.2187 -22.2187 -14.6834 -14.6834 -14.4614 -14.4614 -14.3556 -14.3556 -14.2790 -14.2790 3.8470 3.8470 3.9856 3.9856 4.3240 4.3240 4.3361 4.3361 4.9002 4.9002 4.9145 4.9145 5.1833 5.1833 5.3428 5.3428 5.3913 5.3913 5.4632 5.4632 5.7396 5.7396 6.9123 6.9123 10.1664 10.1664 11.6838 11.6838 12.6079 12.6079 13.5560 13.5560 14.6046 14.6046 15.0832 15.0832 16.3889 16.3889 16.5743 16.5743 17.6151 17.6151 k = 0.0000 0.0490 0.1794 ( 3204 PWs) bands (ev): -48.0577 -48.0577 -48.0400 -48.0400 -22.2917 -22.2917 -22.2195 -22.2195 -14.6835 -14.6835 -14.4628 -14.4628 -14.3575 -14.3575 -14.2815 -14.2815 3.8507 3.8507 3.9900 3.9900 4.3244 4.3244 4.3360 4.3360 4.8982 4.8982 4.9220 4.9220 5.1753 5.1753 5.3411 5.3411 5.3929 5.3929 5.4707 5.4707 5.7388 5.7388 6.9341 6.9341 10.1873 10.1873 11.6851 11.6851 12.6200 12.6200 13.5676 13.5676 14.5982 14.5982 15.0768 15.0768 16.3887 16.3887 16.5740 16.5740 17.6116 17.6116 k = 0.0000 0.0588 0.1794 ( 3212 PWs) bands (ev): -48.0574 -48.0574 -48.0398 -48.0398 -22.2924 -22.2924 -22.2205 -22.2205 -14.6837 -14.6837 -14.4646 -14.4646 -14.3598 -14.3598 -14.2846 -14.2846 3.8551 3.8551 3.9955 3.9955 4.3246 4.3246 4.3359 4.3359 4.8951 4.8951 4.9315 4.9315 5.1662 5.1662 5.3384 5.3384 5.3951 5.3951 5.4795 5.4795 5.7379 5.7379 6.9605 6.9605 10.2126 10.2126 11.6864 11.6864 12.6348 12.6348 13.5818 13.5818 14.5900 14.5900 15.0690 15.0690 16.3885 16.3885 16.5742 16.5742 17.6069 17.6069 k = 0.0000 0.0686 0.1794 ( 3212 PWs) bands (ev): -48.0571 -48.0571 -48.0396 -48.0396 -22.2931 -22.2931 -22.2217 -22.2217 -14.6839 -14.6839 -14.4667 -14.4667 -14.3624 -14.3624 -14.2880 -14.2880 3.8600 3.8600 4.0022 4.0022 4.3247 4.3247 4.3359 4.3359 4.8914 4.8914 4.9429 4.9429 5.1566 5.1566 5.3348 5.3348 5.3980 5.3980 5.4895 5.4895 5.7373 5.7373 6.9916 6.9916 10.2424 10.2424 11.6878 11.6878 12.6521 12.6521 13.5985 13.5985 14.5798 14.5798 15.0600 15.0600 16.3884 16.3884 16.5753 16.5753 17.6007 17.6007 k = 0.0000 0.0784 0.1794 ( 3208 PWs) bands (ev): -48.0566 -48.0566 -48.0393 -48.0393 -22.2940 -22.2940 -22.2230 -22.2230 -14.6842 -14.6842 -14.4692 -14.4692 -14.3654 -14.3654 -14.2918 -14.2918 3.8654 3.8654 4.0099 4.0099 4.3245 4.3245 4.3360 4.3360 4.8870 4.8870 4.9556 4.9556 5.1469 5.1469 5.3306 5.3306 5.4013 5.4013 5.5008 5.5008 5.7370 5.7370 7.0272 7.0272 10.2763 10.2763 11.6892 11.6892 12.6719 12.6719 13.6178 13.6178 14.5674 14.5674 15.0496 15.0496 16.3886 16.3886 16.5774 16.5774 17.5928 17.5928 k = 0.0000 0.0882 0.1794 ( 3200 PWs) bands (ev): -48.0562 -48.0562 -48.0390 -48.0390 -22.2949 -22.2949 -22.2245 -22.2245 -14.6845 -14.6845 -14.4721 -14.4721 -14.3685 -14.3685 -14.2959 -14.2959 3.8711 3.8711 4.0188 4.0188 4.3241 4.3241 4.3360 4.3360 4.8822 4.8822 4.9693 4.9693 5.1374 5.1374 5.3257 5.3257 5.4051 5.4051 5.5131 5.5131 5.7375 5.7375 7.0672 7.0672 10.3144 10.3144 11.6904 11.6904 12.6942 12.6942 13.6395 13.6395 14.5526 14.5526 15.0380 15.0380 16.3891 16.3891 16.5806 16.5806 17.5827 17.5827 k = 0.0000 0.0980 0.1794 ( 3188 PWs) bands (ev): -48.0556 -48.0556 -48.0386 -48.0386 -22.2959 -22.2959 -22.2261 -22.2261 -14.6849 -14.6849 -14.4754 -14.4754 -14.3718 -14.3718 -14.3003 -14.3003 3.8771 3.8771 4.0290 4.0290 4.3234 4.3234 4.3360 4.3360 4.8770 4.8770 4.9833 4.9833 5.1286 5.1286 5.3202 5.3202 5.4091 5.4091 5.5263 5.5263 5.7390 5.7390 7.1116 7.1116 10.3564 10.3564 11.6913 11.6913 12.7188 12.7188 13.6635 13.6635 14.5352 14.5352 15.0252 15.0252 16.3905 16.3905 16.5851 16.5851 17.5701 17.5701 k = 0.0000 0.1078 0.1794 ( 3186 PWs) bands (ev): -48.0551 -48.0551 -48.0382 -48.0382 -22.2971 -22.2971 -22.2279 -22.2279 -14.6856 -14.6856 -14.4793 -14.4793 -14.3754 -14.3754 -14.3049 -14.3049 3.8832 3.8832 4.0402 4.0402 4.3225 4.3225 4.3356 4.3356 4.8712 4.8712 4.9966 4.9966 5.1213 5.1213 5.3142 5.3142 5.4133 5.4133 5.5400 5.5400 5.7419 5.7419 7.1602 7.1602 10.4021 10.4021 11.6918 11.6918 12.7456 12.7456 13.6899 13.6899 14.5151 14.5151 15.0111 15.0111 16.3928 16.3928 16.5908 16.5908 17.5546 17.5546 k = 0.0000 0.1176 0.1794 ( 3186 PWs) bands (ev): -48.0544 -48.0544 -48.0378 -48.0378 -22.2983 -22.2983 -22.2300 -22.2300 -14.6863 -14.6863 -14.4838 -14.4838 -14.3792 -14.3792 -14.3096 -14.3096 3.8894 3.8894 4.0525 4.0525 4.3213 4.3213 4.3349 4.3349 4.8651 4.8651 5.0077 5.0077 5.1171 5.1171 5.3079 5.3079 5.4176 5.4176 5.5541 5.5541 5.7472 5.7472 7.2129 7.2129 10.4515 10.4515 11.6919 11.6919 12.7745 12.7745 13.7185 13.7185 14.4921 14.4921 14.9956 14.9956 16.3964 16.3964 16.5978 16.5978 17.5358 17.5358 k = 0.0000 0.1275 0.1794 ( 3182 PWs) bands (ev): -48.0538 -48.0538 -48.0373 -48.0373 -22.2996 -22.2996 -22.2321 -22.2321 -14.6873 -14.6873 -14.4887 -14.4887 -14.3832 -14.3832 -14.3144 -14.3144 3.8955 3.8955 4.0658 4.0658 4.3198 4.3198 4.3339 4.3339 4.8586 4.8586 5.0146 5.0146 5.1175 5.1175 5.3012 5.3012 5.4223 5.4223 5.5679 5.5679 5.7557 5.7557 7.2697 7.2697 10.5042 10.5042 11.6913 11.6913 12.8054 12.8054 13.7490 13.7490 14.4662 14.4662 14.9788 14.9788 16.4016 16.4016 16.6058 16.6058 17.5132 17.5132 k = 0.0000 0.1373 0.1794 ( 3184 PWs) bands (ev): -48.0531 -48.0531 -48.0369 -48.0369 -22.3010 -22.3010 -22.2345 -22.2345 -14.6885 -14.6885 -14.4942 -14.4942 -14.3873 -14.3873 -14.3192 -14.3192 3.9016 3.9016 4.0799 4.0799 4.3182 4.3182 4.3325 4.3325 4.8519 4.8519 5.0161 5.0161 5.1235 5.1235 5.2943 5.2943 5.4270 5.4270 5.5808 5.5808 5.7685 5.7685 7.3304 7.3304 10.5601 10.5601 11.6901 11.6901 12.8381 12.8381 13.7814 13.7814 14.4374 14.4374 14.9604 14.9604 16.4086 16.4086 16.6148 16.6148 17.4866 17.4866 k = 0.0000 0.1471 0.1794 ( 3180 PWs) bands (ev): -48.0524 -48.0524 -48.0364 -48.0364 -22.3024 -22.3024 -22.2369 -22.2369 -14.6898 -14.6898 -14.5003 -14.5003 -14.3914 -14.3914 -14.3238 -14.3238 3.9076 3.9076 4.0949 4.0949 4.3166 4.3166 4.3310 4.3310 4.8450 4.8450 5.0128 5.0128 5.1343 5.1343 5.2871 5.2871 5.4319 5.4319 5.5919 5.5919 5.7867 5.7867 7.3948 7.3948 10.6189 10.6189 11.6881 11.6881 12.8724 12.8724 13.8153 13.8153 14.4057 14.4057 14.9404 14.9404 16.4174 16.4174 16.6245 16.6245 17.4556 17.4556 k = 0.0000 0.1569 0.1794 ( 3180 PWs) bands (ev): -48.0516 -48.0516 -48.0358 -48.0358 -22.3040 -22.3040 -22.2395 -22.2395 -14.6915 -14.6915 -14.5070 -14.5070 -14.3956 -14.3956 -14.3283 -14.3283 3.9134 3.9134 4.1103 4.1103 4.3148 4.3148 4.3291 4.3291 4.8381 4.8381 5.0061 5.0061 5.1480 5.1480 5.2796 5.2796 5.4370 5.4370 5.6009 5.6009 5.8113 5.8113 7.4630 7.4630 10.6804 10.6804 11.6852 11.6852 12.9081 12.9081 13.8504 13.8504 14.3712 14.3712 14.9183 14.9183 16.4281 16.4281 16.6348 16.6348 17.4201 17.4201 k = 0.0000 0.1667 0.1794 ( 3188 PWs) bands (ev): -48.0508 -48.0508 -48.0353 -48.0353 -22.3057 -22.3057 -22.2423 -22.2423 -14.6935 -14.6935 -14.5143 -14.5143 -14.4000 -14.4000 -14.3326 -14.3326 3.9190 3.9190 4.1260 4.1260 4.3128 4.3128 4.3271 4.3271 4.8311 4.8311 4.9974 4.9974 5.1629 5.1629 5.2719 5.2719 5.4421 5.4421 5.6075 5.6075 5.8426 5.8426 7.5347 7.5347 10.7442 10.7442 11.6814 11.6814 12.9449 12.9449 13.8864 13.8864 14.3341 14.3341 14.8940 14.8940 16.4406 16.4406 16.6454 16.6454 17.3799 17.3799 k = 0.0000 0.1765 0.1794 ( 3182 PWs) bands (ev): -48.0499 -48.0499 -48.0347 -48.0347 -22.3072 -22.3072 -22.2451 -22.2451 -14.6957 -14.6957 -14.5220 -14.5220 -14.4041 -14.4041 -14.3366 -14.3366 3.9244 3.9244 4.1418 4.1418 4.3108 4.3108 4.3250 4.3250 4.8244 4.8244 4.9878 4.9878 5.1779 5.1779 5.2642 5.2642 5.4476 5.4476 5.6121 5.6121 5.8809 5.8809 7.6099 7.6099 10.8102 10.8102 11.6766 11.6766 12.9826 12.9826 13.9229 13.9229 14.2946 14.2946 14.8668 14.8668 16.4548 16.4548 16.6562 16.6562 17.3350 17.3350 k = 0.0000 0.1863 0.1794 ( 3182 PWs) bands (ev): -48.0491 -48.0491 -48.0342 -48.0342 -22.3089 -22.3089 -22.2481 -22.2481 -14.6982 -14.6982 -14.5304 -14.5304 -14.4083 -14.4083 -14.3402 -14.3402 3.9296 3.9296 4.1573 4.1573 4.3087 4.3087 4.3231 4.3231 4.8180 4.8180 4.9776 4.9776 5.1920 5.1920 5.2565 5.2565 5.4532 5.4532 5.6150 5.6150 5.9260 5.9260 7.6885 7.6885 10.8781 10.8781 11.6707 11.6707 13.0207 13.0207 13.9593 13.9593 14.2529 14.2529 14.8364 14.8364 16.4703 16.4703 16.6667 16.6667 17.2859 17.2859 k = 0.0000 0.1961 0.1794 ( 3178 PWs) bands (ev): -48.0482 -48.0482 -48.0336 -48.0336 -22.3106 -22.3106 -22.2511 -22.2511 -14.7011 -14.7011 -14.5392 -14.5392 -14.4123 -14.4123 -14.3436 -14.3436 3.9346 3.9346 4.1722 4.1722 4.3063 4.3063 4.3216 4.3216 4.8121 4.8121 4.9675 4.9675 5.2044 5.2044 5.2493 5.2493 5.4589 5.4589 5.6167 5.6167 5.9775 5.9775 7.7703 7.7703 10.9474 10.9474 11.6638 11.6638 13.0589 13.0589 13.9952 13.9952 14.2094 14.2094 14.8021 14.8021 16.4868 16.4868 16.6768 16.6768 17.2330 17.2330 k = 0.0000 0.2059 0.1794 ( 3178 PWs) bands (ev): -48.0473 -48.0473 -48.0330 -48.0330 -22.3124 -22.3124 -22.2542 -22.2542 -14.7044 -14.7044 -14.5485 -14.5485 -14.4161 -14.4161 -14.3467 -14.3467 3.9392 3.9392 4.1859 4.1859 4.3036 4.3036 4.3209 4.3209 4.8069 4.8069 4.9574 4.9574 5.2138 5.2138 5.2439 5.2439 5.4646 5.4646 5.6173 5.6173 6.0351 6.0351 7.8553 7.8553 11.0179 11.0179 11.6557 11.6557 13.0968 13.0968 14.0297 14.0297 14.1643 14.1643 14.7632 14.7632 16.5038 16.5038 16.6860 16.6860 17.1775 17.1775 k = 0.0000 0.2157 0.1794 ( 3186 PWs) bands (ev): -48.0463 -48.0463 -48.0324 -48.0324 -22.3142 -22.3142 -22.2575 -22.2575 -14.7081 -14.7081 -14.5582 -14.5582 -14.4197 -14.4197 -14.3495 -14.3495 3.9435 3.9435 4.1980 4.1980 4.3006 4.3006 4.3212 4.3212 4.8024 4.8024 4.9477 4.9477 5.2165 5.2165 5.2437 5.2437 5.4703 5.4703 5.6173 5.6173 6.0985 6.0985 7.9434 7.9434 11.0892 11.0892 11.6465 11.6465 13.1339 13.1339 14.0621 14.0621 14.1180 14.1180 14.7190 14.7190 16.5209 16.5209 16.6939 16.6939 17.1210 17.1210 k = 0.0000 0.2255 0.1794 ( 3190 PWs) bands (ev): -48.0454 -48.0454 -48.0318 -48.0318 -22.3160 -22.3160 -22.2608 -22.2608 -14.7121 -14.7121 -14.5683 -14.5683 -14.4230 -14.4230 -14.3521 -14.3521 3.9475 3.9475 4.2081 4.2081 4.2973 4.2973 4.3228 4.3228 4.7991 4.7991 4.9385 4.9385 5.2119 5.2119 5.2493 5.2493 5.4760 5.4760 5.6167 5.6167 6.1674 6.1674 8.0344 8.0344 11.1610 11.1610 11.6362 11.6362 13.1696 13.1696 14.0701 14.0701 14.0922 14.0922 14.6692 14.6692 16.5374 16.5374 16.7004 16.7004 17.0658 17.0658 k = 0.0000 0.2353 0.1794 ( 3186 PWs) bands (ev): -48.0444 -48.0444 -48.0312 -48.0312 -22.3178 -22.3178 -22.2641 -22.2641 -14.7164 -14.7164 -14.5788 -14.5788 -14.4259 -14.4259 -14.3543 -14.3543 3.9512 3.9512 4.2158 4.2158 4.2940 4.2940 4.3258 4.3258 4.7969 4.7969 4.9301 4.9301 5.2043 5.2043 5.2569 5.2569 5.4818 5.4818 5.6159 5.6159 6.2415 6.2415 8.1282 8.1282 11.2326 11.2326 11.6250 11.6250 13.2033 13.2033 14.0223 14.0223 14.1171 14.1171 14.6136 14.6136 16.5529 16.5529 16.7049 16.7049 17.0140 17.0140 k = 0.0000 0.2451 0.1794 ( 3186 PWs) bands (ev): -48.0434 -48.0434 -48.0306 -48.0306 -22.3196 -22.3196 -22.2674 -22.2674 -14.7211 -14.7211 -14.5895 -14.5895 -14.4284 -14.4284 -14.3564 -14.3564 3.9545 3.9545 4.2208 4.2208 4.2907 4.2907 4.3297 4.3297 4.7961 4.7961 4.9225 4.9225 5.1955 5.1955 5.2645 5.2645 5.4874 5.4874 5.6148 5.6148 6.3206 6.3206 8.2248 8.2248 11.3035 11.3035 11.6130 11.6130 13.2344 13.2344 13.9740 13.9740 14.1360 14.1360 14.5531 14.5531 16.5669 16.5669 16.7072 16.7072 16.9675 16.9675 k = 0.0000 0.2549 0.1794 ( 3186 PWs) bands (ev): -48.0424 -48.0424 -48.0300 -48.0300 -22.3214 -22.3214 -22.2708 -22.2708 -14.7260 -14.7260 -14.6004 -14.6004 -14.4306 -14.4306 -14.3583 -14.3583 3.9575 3.9575 4.2232 4.2232 4.2878 4.2878 4.3343 4.3343 4.7966 4.7966 4.9159 4.9159 5.1861 5.1861 5.2717 5.2717 5.4929 5.4929 5.6135 5.6135 6.4045 6.4045 8.3240 8.3240 11.3724 11.3724 11.6010 11.6010 13.2621 13.2621 13.9255 13.9255 14.1450 14.1450 14.4907 14.4907 16.5791 16.5791 16.7072 16.7072 16.9271 16.9271 k = 0.0000 0.2647 0.1794 ( 3186 PWs) bands (ev): -48.0414 -48.0414 -48.0294 -48.0294 -22.3232 -22.3232 -22.2741 -22.2741 -14.7312 -14.7312 -14.6115 -14.6115 -14.4324 -14.4324 -14.3600 -14.3600 3.9602 3.9602 4.2232 4.2232 4.2853 4.2853 4.3391 4.3391 4.7983 4.7983 4.9106 4.9106 5.1766 5.1766 5.2782 5.2782 5.4982 5.4982 5.6120 5.6120 6.4930 6.4930 8.4258 8.4258 11.4365 11.4365 11.5915 11.5915 13.2858 13.2858 13.8771 13.8771 14.1374 14.1374 14.4324 14.4324 16.5897 16.5897 16.7047 16.7047 16.8924 16.8924 k = 0.0000 0.2745 0.1794 ( 3188 PWs) bands (ev): -48.0404 -48.0404 -48.0288 -48.0288 -22.3250 -22.3250 -22.2776 -22.2776 -14.7366 -14.7366 -14.6227 -14.6227 -14.4337 -14.4337 -14.3617 -14.3617 3.9624 3.9624 4.2210 4.2210 4.2835 4.2835 4.3437 4.3437 4.8011 4.8011 4.9068 4.9068 5.1669 5.1669 5.2842 5.2842 5.5033 5.5033 5.6104 5.6104 6.5858 6.5858 8.5300 8.5300 11.4859 11.4859 11.5937 11.5937 13.3046 13.3046 13.8292 13.8292 14.1041 14.1041 14.3878 14.3878 16.5990 16.5990 16.6996 16.6996 16.8610 16.8610 k = 0.0000 0.2843 0.1794 ( 3188 PWs) bands (ev): -48.0394 -48.0394 -48.0282 -48.0282 -22.3266 -22.3266 -22.2811 -22.2811 -14.7421 -14.7421 -14.6341 -14.6341 -14.4346 -14.4346 -14.3632 -14.3632 3.9646 3.9646 4.2169 4.2169 4.2823 4.2823 4.3476 4.3476 4.8046 4.8046 4.9049 4.9049 5.1570 5.1570 5.2896 5.2896 5.5081 5.5081 5.6087 5.6087 6.6827 6.6827 8.6365 8.6365 11.5019 11.5019 11.6258 11.6258 13.3176 13.3176 13.7820 13.7820 14.0405 14.0405 14.3621 14.3621 16.6076 16.6076 16.6923 16.6923 16.8299 16.8299 k = 0.0000 0.2941 0.1794 ( 3192 PWs) bands (ev): -48.0385 -48.0385 -48.0277 -48.0277 -22.3282 -22.3282 -22.2846 -22.2846 -14.7478 -14.7478 -14.6454 -14.6454 -14.4351 -14.4351 -14.3647 -14.3647 3.9663 3.9663 4.2113 4.2113 4.2816 4.2816 4.3507 4.3507 4.8083 4.8083 4.9051 4.9051 5.1473 5.1473 5.2945 5.2945 5.5127 5.5127 5.6069 5.6069 6.7837 6.7837 8.7452 8.7452 11.4917 11.4917 11.6800 11.6800 13.3236 13.3236 13.7360 13.7360 13.9528 13.9528 14.3504 14.3504 16.6146 16.6146 16.6838 16.6838 16.7970 16.7970 k = 0.0000 0.3039 0.1794 ( 3196 PWs) bands (ev): -48.0375 -48.0375 -48.0271 -48.0271 -22.3298 -22.3298 -22.2880 -22.2880 -14.7535 -14.7535 -14.6567 -14.6567 -14.4353 -14.4353 -14.3661 -14.3661 3.9678 3.9678 4.2046 4.2046 4.2813 4.2813 4.3528 4.3528 4.8117 4.8117 4.9080 4.9080 5.1377 5.1377 5.2989 5.2989 5.5169 5.5169 5.6050 5.6050 6.8884 6.8884 8.8560 8.8560 11.4711 11.4711 11.7396 11.7396 13.3213 13.3213 13.6920 13.6920 13.8501 13.8501 14.3454 14.3454 16.6169 16.6169 16.6773 16.6773 16.7634 16.7634 k = 0.0000 0.3137 0.1794 ( 3190 PWs) bands (ev): -48.0365 -48.0365 -48.0266 -48.0266 -22.3313 -22.3313 -22.2914 -22.2914 -14.7592 -14.7592 -14.6678 -14.6678 -14.4351 -14.4351 -14.3675 -14.3675 3.9692 3.9692 4.1969 4.1969 4.2817 4.2817 4.3540 4.3540 4.8146 4.8146 4.9135 4.9135 5.1286 5.1286 5.3029 5.3029 5.5209 5.5209 5.6031 5.6031 6.9969 6.9969 8.9688 8.9688 11.4450 11.4450 11.7991 11.7991 13.3087 13.3087 13.6510 13.6510 13.7395 13.7395 14.3423 14.3423 16.6097 16.6097 16.6727 16.6727 16.7358 16.7358 k = 0.0000 0.3235 0.1794 ( 3188 PWs) bands (ev): -48.0355 -48.0355 -48.0261 -48.0261 -22.3327 -22.3327 -22.2947 -22.2947 -14.7649 -14.7649 -14.6787 -14.6787 -14.4346 -14.4346 -14.3688 -14.3688 3.9704 3.9704 4.1884 4.1884 4.2823 4.2823 4.3543 4.3543 4.8167 4.8167 4.9213 4.9213 5.1199 5.1199 5.3065 5.3065 5.5246 5.5246 5.6012 5.6012 7.1089 7.1089 9.0833 9.0833 11.4145 11.4145 11.8565 11.8565 13.2830 13.2830 13.6087 13.6087 13.6320 13.6320 14.3389 14.3389 16.5932 16.5932 16.6551 16.6551 16.7308 16.7308 k = 0.0000 0.3333 0.1794 ( 3190 PWs) bands (ev): -48.0346 -48.0346 -48.0257 -48.0257 -22.3342 -22.3342 -22.2979 -22.2979 -14.7705 -14.7705 -14.6895 -14.6895 -14.4339 -14.4339 -14.3701 -14.3701 3.9714 3.9714 4.1793 4.1793 4.2832 4.2832 4.3538 4.3538 4.8182 4.8182 4.9308 4.9308 5.1121 5.1121 5.3095 5.3095 5.5279 5.5279 5.5991 5.5991 7.2243 7.2243 9.1994 9.1994 11.3795 11.3795 11.9110 11.9110 13.2413 13.2413 13.5083 13.5083 13.5905 13.5905 14.3340 14.3340 16.5711 16.5711 16.6227 16.6227 16.7484 16.7484 k = 0.0000 0.3431 0.1794 ( 3186 PWs) bands (ev): -48.0337 -48.0337 -48.0252 -48.0252 -22.3353 -22.3353 -22.3012 -22.3012 -14.7758 -14.7758 -14.7000 -14.7000 -14.4328 -14.4328 -14.3715 -14.3715 3.9724 3.9724 4.1698 4.1698 4.2844 4.2844 4.3527 4.3527 4.8193 4.8193 4.9412 4.9412 5.1055 5.1055 5.3123 5.3123 5.5309 5.5309 5.5970 5.5970 7.3430 7.3430 9.3168 9.3168 11.3398 11.3398 11.9618 11.9618 13.1816 13.1816 13.4004 13.4004 13.5692 13.5692 14.3271 14.3271 16.5460 16.5460 16.5863 16.5863 16.7765 16.7765 k = 0.0000 0.3529 0.1794 ( 3186 PWs) bands (ev): -48.0328 -48.0328 -48.0248 -48.0248 -22.3365 -22.3365 -22.3043 -22.3043 -14.7809 -14.7809 -14.7102 -14.7102 -14.4315 -14.4315 -14.3729 -14.3729 3.9735 3.9735 4.1599 4.1599 4.2857 4.2857 4.3510 4.3510 4.8203 4.8203 4.9513 4.9513 5.1008 5.1008 5.3145 5.3145 5.5337 5.5337 5.5949 5.5949 7.4648 7.4648 9.4353 9.4353 11.2948 11.2948 12.0086 12.0086 13.1042 13.1042 13.2991 13.2991 13.5563 13.5563 14.3178 14.3178 16.5192 16.5192 16.5498 16.5498 16.8109 16.8109 k = 0.0000 0.3627 0.1794 ( 3182 PWs) bands (ev): -48.0319 -48.0319 -48.0245 -48.0245 -22.3376 -22.3376 -22.3073 -22.3073 -14.7859 -14.7859 -14.7201 -14.7201 -14.4300 -14.4300 -14.3743 -14.3743 3.9746 3.9746 4.1498 4.1498 4.2871 4.2871 4.3489 4.3489 4.8214 4.8214 4.9601 4.9601 5.0985 5.0985 5.3163 5.3163 5.5362 5.5362 5.5927 5.5927 7.5896 7.5896 9.5544 9.5544 11.2441 11.2441 12.0510 12.0510 13.0135 13.0135 13.2039 13.2039 13.5505 13.5505 14.3061 14.3061 16.4915 16.4915 16.5145 16.5145 16.8501 16.8501 k = 0.0000 0.3725 0.1794 ( 3186 PWs) bands (ev): -48.0311 -48.0311 -48.0241 -48.0241 -22.3385 -22.3385 -22.3104 -22.3104 -14.7905 -14.7905 -14.7297 -14.7297 -14.4284 -14.4284 -14.3758 -14.3758 3.9758 3.9758 4.1395 4.1395 4.2887 4.2887 4.3464 4.3464 4.8228 4.8228 4.9664 4.9664 5.0994 5.0994 5.3174 5.3174 5.5383 5.5383 5.5905 5.5905 7.7173 7.7173 9.6735 9.6735 11.1874 11.1874 12.0888 12.0888 12.9160 12.9160 13.1112 13.1112 13.5510 13.5510 14.2918 14.2918 16.4636 16.4636 16.4810 16.4810 16.8932 16.8932 k = 0.0000 0.3824 0.1794 ( 3190 PWs) bands (ev): -48.0303 -48.0303 -48.0238 -48.0238 -22.3394 -22.3394 -22.3133 -22.3133 -14.7948 -14.7948 -14.7388 -14.7388 -14.4266 -14.4266 -14.3773 -14.3773 3.9772 3.9772 4.1291 4.1291 4.2902 4.2902 4.3437 4.3437 4.8245 4.8245 4.9694 4.9694 5.1041 5.1041 5.3180 5.3180 5.5402 5.5402 5.5882 5.5882 7.8477 7.8477 9.7917 9.7917 11.1247 11.1247 12.1218 12.1218 12.8176 12.8176 13.0182 13.0182 13.5573 13.5573 14.2752 14.2752 16.4359 16.4359 16.4495 16.4495 16.9395 16.9395 k = 0.0000 0.3922 0.1794 ( 3188 PWs) bands (ev): -48.0295 -48.0295 -48.0236 -48.0236 -22.3400 -22.3400 -22.3161 -22.3161 -14.7987 -14.7987 -14.7475 -14.7475 -14.4246 -14.4246 -14.3789 -14.3789 3.9788 3.9788 4.1187 4.1187 4.2920 4.2920 4.3409 4.3409 4.8268 4.8268 4.9693 4.9693 5.1123 5.1123 5.3179 5.3179 5.5420 5.5420 5.5860 5.5860 7.9806 7.9806 9.9073 9.9073 11.0570 11.0570 12.1503 12.1503 12.7216 12.7216 12.9237 12.9237 13.5688 13.5688 14.2561 14.2561 16.4090 16.4090 16.4204 16.4204 16.9884 16.9884 k = 0.0000 0.4020 0.1794 ( 3180 PWs) bands (ev): -48.0288 -48.0288 -48.0233 -48.0233 -22.3405 -22.3405 -22.3187 -22.3187 -14.8021 -14.8021 -14.7557 -14.7557 -14.4225 -14.4225 -14.3804 -14.3804 3.9808 3.9808 4.1085 4.1085 4.2938 4.2938 4.3381 4.3381 4.8297 4.8297 4.9663 4.9663 5.1235 5.1235 5.3172 5.3172 5.5437 5.5437 5.5838 5.5838 8.1159 8.1159 10.0177 10.0177 10.9867 10.9867 12.1743 12.1743 12.6293 12.6293 12.8284 12.8284 13.5853 13.5853 14.2346 14.2346 16.3833 16.3833 16.3936 16.3936 17.0392 17.0392 k = 0.0000 0.4118 0.1794 ( 3188 PWs) bands (ev): -48.0281 -48.0281 -48.0232 -48.0232 -22.3410 -22.3410 -22.3213 -22.3213 -14.8052 -14.8052 -14.7635 -14.7635 -14.4204 -14.4204 -14.3821 -14.3821 3.9830 3.9830 4.0983 4.0983 4.2954 4.2954 4.3351 4.3351 4.8330 4.8330 4.9612 4.9612 5.1365 5.1365 5.3156 5.3156 5.5451 5.5451 5.5815 5.5815 8.2533 8.2533 10.1173 10.1173 10.9191 10.9191 12.1941 12.1941 12.5397 12.5397 12.7344 12.7344 13.6062 13.6062 14.2108 14.2108 16.3593 16.3593 16.3691 16.3691 17.0910 17.0910 k = 0.0000 0.4216 0.1794 ( 3186 PWs) bands (ev): -48.0274 -48.0274 -48.0230 -48.0230 -22.3412 -22.3412 -22.3237 -22.3237 -14.8077 -14.8077 -14.7708 -14.7708 -14.4182 -14.4182 -14.3839 -14.3839 3.9856 3.9856 4.0884 4.0884 4.2972 4.2972 4.3322 4.3322 4.8370 4.8370 4.9546 4.9546 5.1508 5.1508 5.3132 5.3132 5.5466 5.5466 5.5791 5.5791 8.3927 8.3927 10.1956 10.1956 10.8651 10.8651 12.2100 12.2100 12.4501 12.4501 12.6457 12.6457 13.6312 13.6312 14.1848 14.1848 16.3374 16.3374 16.3468 16.3468 17.1431 17.1431 k = 0.0000 0.4314 0.1794 ( 3186 PWs) bands (ev): -48.0268 -48.0268 -48.0229 -48.0229 -22.3413 -22.3413 -22.3260 -22.3260 -14.8097 -14.8097 -14.7775 -14.7775 -14.4159 -14.4159 -14.3856 -14.3856 3.9884 3.9884 4.0787 4.0787 4.2990 4.2990 4.3295 4.3295 4.8416 4.8416 4.9471 4.9471 5.1656 5.1656 5.3100 5.3100 5.5480 5.5480 5.5768 5.5768 8.5339 8.5339 10.2348 10.2348 10.8428 10.8428 12.2210 12.2210 12.3576 12.3576 12.5668 12.5668 13.6598 13.6598 14.1567 14.1567 16.3179 16.3179 16.3268 16.3268 17.1946 17.1946 k = 0.0000 0.4412 0.1794 ( 3178 PWs) bands (ev): -48.0262 -48.0262 -48.0229 -48.0229 -22.3412 -22.3412 -22.3281 -22.3281 -14.8112 -14.8112 -14.7836 -14.7836 -14.4135 -14.4135 -14.3875 -14.3875 3.9918 3.9918 4.0694 4.0694 4.3010 4.3010 4.3269 4.3269 4.8469 4.8469 4.9390 4.9390 5.1806 5.1806 5.3058 5.3058 5.5495 5.5495 5.5744 5.5744 8.6765 8.6765 10.2198 10.2198 10.8682 10.8682 12.2138 12.2138 12.2733 12.2733 12.5008 12.5008 13.6914 13.6914 14.1266 14.1266 16.3009 16.3009 16.3090 16.3090 17.2448 17.2448 k = 0.0000 0.4510 0.1794 ( 3162 PWs) bands (ev): -48.0256 -48.0256 -48.0229 -48.0229 -22.3409 -22.3409 -22.3299 -22.3299 -14.8121 -14.8121 -14.7891 -14.7891 -14.4111 -14.4111 -14.3892 -14.3892 3.9958 3.9958 4.0605 4.0605 4.3029 4.3029 4.3243 4.3243 4.8527 4.8527 4.9307 4.9307 5.1954 5.1954 5.3008 5.3008 5.5512 5.5512 5.5722 5.5722 8.8203 8.8203 10.1552 10.1552 10.9375 10.9375 12.1290 12.1290 12.2571 12.2571 12.4476 12.4476 13.7254 13.7254 14.0946 14.0946 16.2866 16.2866 16.2937 16.2937 17.2927 17.2927 k = 0.0000 0.4608 0.1794 ( 3164 PWs) bands (ev): -48.0252 -48.0252 -48.0229 -48.0229 -22.3405 -22.3405 -22.3318 -22.3318 -14.8124 -14.8124 -14.7942 -14.7942 -14.4088 -14.4088 -14.3912 -14.3912 4.0000 4.0000 4.0519 4.0519 4.3047 4.3047 4.3218 4.3218 4.8589 4.8589 4.9221 4.9221 5.2098 5.2098 5.2946 5.2946 5.5528 5.5528 5.5698 5.5698 8.9649 8.9649 10.0581 10.0581 11.0344 11.0344 12.0150 12.0150 12.2631 12.2631 12.4052 12.4052 13.7613 13.7613 14.0610 14.0610 16.2749 16.2749 16.2809 16.2809 17.3377 17.3377 k = 0.0000 0.4706 0.1794 ( 3168 PWs) bands (ev): -48.0247 -48.0247 -48.0231 -48.0231 -22.3401 -22.3401 -22.3335 -22.3335 -14.8123 -14.8123 -14.7986 -14.7986 -14.4065 -14.4065 -14.3933 -14.3933 4.0048 4.0048 4.0437 4.0437 4.3066 4.3066 4.3193 4.3193 4.8655 4.8655 4.9134 4.9134 5.2235 5.2235 5.2874 5.2874 5.5545 5.5545 5.5673 5.5673 9.1098 9.1098 9.9420 9.9420 11.1463 11.1463 11.8942 11.8942 12.2713 12.2713 12.3715 12.3715 13.7986 13.7986 14.0258 14.0258 16.2660 16.2660 16.2706 16.2706 17.3789 17.3789 k = 0.0000 0.4804 0.1794 ( 3166 PWs) bands (ev): -48.0243 -48.0243 -48.0232 -48.0232 -22.3394 -22.3394 -22.3349 -22.3349 -14.8115 -14.8115 -14.8023 -14.8023 -14.4042 -14.4042 -14.3954 -14.3954 4.0100 4.0100 4.0360 4.0360 4.3085 4.3085 4.3170 4.3170 4.8727 4.8727 4.9048 4.9048 5.2365 5.2365 5.2793 5.2793 5.5564 5.5564 5.5650 5.5650 9.2546 9.2546 9.8145 9.8145 11.2662 11.2662 11.7699 11.7699 12.2810 12.2810 12.3447 12.3447 13.8367 13.8367 13.9894 13.9894 16.2598 16.2598 16.2630 16.2630 17.4157 17.4157 k = 0.0000 0.4902 0.1794 ( 3172 PWs) bands (ev): -48.0240 -48.0240 -48.0234 -48.0234 -22.3386 -22.3386 -22.3364 -22.3364 -14.8102 -14.8102 -14.8056 -14.8056 -14.4020 -14.4020 -14.3975 -14.3975 4.0158 4.0158 4.0288 4.0288 4.3105 4.3105 4.3147 4.3147 4.8802 4.8802 4.8963 4.8963 5.2485 5.2485 5.2700 5.2700 5.5584 5.5584 5.5627 5.5627 9.3984 9.3984 9.6798 9.6798 11.3905 11.3905 11.6436 11.6436 12.2924 12.2924 12.3234 12.3234 13.8753 13.8753 13.9520 13.9520 16.2565 16.2565 16.2581 16.2581 17.4474 17.4474 k = 0.0000 0.5000 0.1794 ( 3172 PWs) bands (ev): -48.0237 -48.0237 -48.0237 -48.0237 -22.3375 -22.3375 -22.3375 -22.3375 -14.8082 -14.8082 -14.8082 -14.8082 -14.3997 -14.3997 -14.3997 -14.3997 4.0220 4.0220 4.0220 4.0220 4.3125 4.3125 4.3125 4.3125 4.8881 4.8881 4.8881 4.8881 5.2598 5.2598 5.2598 5.2598 5.5605 5.5605 5.5605 5.5605 9.5406 9.5406 9.5406 9.5406 11.5168 11.5168 11.5168 11.5168 12.3062 12.3062 12.3062 12.3062 13.9138 13.9138 13.9138 13.9138 16.2559 16.2559 16.2559 16.2559 17.4737 17.4737 k = 0.0000 0.5000 0.1794 ( 3172 PWs) bands (ev): -48.0237 -48.0237 -48.0237 -48.0237 -22.3375 -22.3375 -22.3375 -22.3375 -14.8082 -14.8082 -14.8082 -14.8082 -14.3997 -14.3997 -14.3997 -14.3997 4.0220 4.0220 4.0220 4.0220 4.3125 4.3125 4.3125 4.3125 4.8881 4.8881 4.8881 4.8881 5.2598 5.2598 5.2598 5.2598 5.5605 5.5605 5.5605 5.5605 9.5406 9.5406 9.5406 9.5406 11.5168 11.5168 11.5168 11.5168 12.3062 12.3062 12.3062 12.3062 13.9138 13.9138 13.9138 13.9138 16.2559 16.2559 16.2559 16.2559 17.4737 17.4737 k = 0.0098 0.5000 0.1794 ( 3172 PWs) bands (ev): -48.0236 -48.0236 -48.0236 -48.0236 -22.3376 -22.3376 -22.3376 -22.3376 -14.8086 -14.8086 -14.8077 -14.8077 -14.4006 -14.4006 -14.3995 -14.3995 4.0202 4.0202 4.0246 4.0246 4.3121 4.3121 4.3125 4.3125 4.8831 4.8831 4.8925 4.8925 5.2588 5.2588 5.2615 5.2615 5.5557 5.5557 5.5644 5.5644 9.5415 9.5415 9.5434 9.5434 11.5175 11.5175 11.5181 11.5181 12.3056 12.3056 12.3100 12.3100 13.9115 13.9115 13.9166 13.9166 16.2479 16.2479 16.2600 16.2600 17.4534 17.4534 k = 0.0196 0.5000 0.1794 ( 3176 PWs) bands (ev): -48.0236 -48.0236 -48.0236 -48.0236 -22.3379 -22.3379 -22.3378 -22.3378 -14.8089 -14.8089 -14.8072 -14.8072 -14.4022 -14.4022 -14.4001 -14.4001 4.0192 4.0192 4.0279 4.0279 4.3114 4.3114 4.3121 4.3121 4.8775 4.8775 4.8963 4.8963 5.2587 5.2587 5.2642 5.2642 5.5500 5.5500 5.5675 5.5675 9.5461 9.5461 9.5500 9.5500 11.5201 11.5201 11.5214 11.5214 12.3081 12.3081 12.3169 12.3169 13.9096 13.9096 13.9197 13.9197 16.2362 16.2362 16.2602 16.2602 17.4283 17.4283 k = 0.0294 0.5000 0.1794 ( 3180 PWs) bands (ev): -48.0235 -48.0235 -48.0235 -48.0235 -22.3383 -22.3383 -22.3381 -22.3381 -14.8091 -14.8091 -14.8065 -14.8065 -14.4046 -14.4046 -14.4013 -14.4013 4.0189 4.0189 4.0319 4.0319 4.3103 4.3103 4.3112 4.3112 4.8713 4.8713 4.8996 4.8996 5.2593 5.2593 5.2675 5.2675 5.5434 5.5434 5.5697 5.5697 9.5544 9.5544 9.5603 9.5603 11.5248 11.5248 11.5267 11.5267 12.3137 12.3137 12.3269 12.3269 13.9081 13.9081 13.9234 13.9234 16.2211 16.2211 16.2566 16.2566 17.3995 17.3995 k = 0.0392 0.5000 0.1794 ( 3172 PWs) bands (ev): -48.0233 -48.0233 -48.0233 -48.0233 -22.3387 -22.3387 -22.3385 -22.3385 -14.8092 -14.8092 -14.8058 -14.8058 -14.4075 -14.4075 -14.4031 -14.4031 4.0195 4.0195 4.0366 4.0366 4.3092 4.3092 4.3099 4.3099 4.8644 4.8644 4.9028 4.9028 5.2608 5.2608 5.2718 5.2718 5.5361 5.5361 5.5714 5.5714 9.5664 9.5664 9.5742 9.5742 11.5314 11.5314 11.5338 11.5338 12.3223 12.3223 12.3398 12.3398 13.9073 13.9073 13.9276 13.9276 16.2029 16.2029 16.2496 16.2496 17.3677 17.3677 k = 0.0490 0.5000 0.1794 ( 3180 PWs) bands (ev): -48.0231 -48.0231 -48.0231 -48.0231 -22.3394 -22.3394 -22.3391 -22.3391 -14.8093 -14.8093 -14.8050 -14.8050 -14.4112 -14.4112 -14.4057 -14.4057 4.0206 4.0206 4.0417 4.0417 4.3078 4.3078 4.3079 4.3079 4.8569 4.8569 4.9056 4.9056 5.2628 5.2628 5.2766 5.2766 5.5278 5.5278 5.5723 5.5723 9.5820 9.5820 9.5917 9.5917 11.5397 11.5397 11.5427 11.5427 12.3338 12.3338 12.3556 12.3556 13.9072 13.9072 13.9326 13.9326 16.1820 16.1820 16.2396 16.2396 17.3337 17.3337 k = 0.0588 0.5000 0.1794 ( 3184 PWs) bands (ev): -48.0228 -48.0228 -48.0228 -48.0228 -22.3401 -22.3401 -22.3399 -22.3399 -14.8093 -14.8093 -14.8041 -14.8041 -14.4154 -14.4154 -14.4089 -14.4089 4.0224 4.0224 4.0473 4.0473 4.3054 4.3054 4.3064 4.3064 4.8490 4.8490 4.9084 4.9084 5.2654 5.2654 5.2821 5.2821 5.5189 5.5189 5.5727 5.5727 9.6013 9.6013 9.6127 9.6127 11.5497 11.5497 11.5533 11.5533 12.3482 12.3482 12.3742 12.3742 13.9079 13.9079 13.9385 13.9385 16.1591 16.1591 16.2270 16.2270 17.2979 17.2979 k = 0.0686 0.5000 0.1794 ( 3184 PWs) bands (ev): -48.0225 -48.0225 -48.0225 -48.0225 -22.3410 -22.3410 -22.3407 -22.3407 -14.8092 -14.8092 -14.8031 -14.8031 -14.4203 -14.4203 -14.4127 -14.4127 4.0248 4.0248 4.0532 4.0532 4.3025 4.3025 4.3051 4.3051 4.8407 4.8407 4.9113 4.9113 5.2685 5.2685 5.2881 5.2881 5.5092 5.5092 5.5725 5.5725 9.6240 9.6240 9.6372 9.6372 11.5611 11.5611 11.5653 11.5653 12.3651 12.3651 12.3952 12.3952 13.9099 13.9099 13.9455 13.9455 16.1347 16.1347 16.2124 16.2124 17.2609 17.2609 k = 0.0784 0.5000 0.1794 ( 3188 PWs) bands (ev): -48.0222 -48.0222 -48.0222 -48.0222 -22.3420 -22.3420 -22.3417 -22.3417 -14.8090 -14.8090 -14.8021 -14.8021 -14.4259 -14.4259 -14.4171 -14.4171 4.0276 4.0276 4.0592 4.0592 4.2989 4.2989 4.3039 4.3039 4.8321 4.8321 4.9145 4.9145 5.2719 5.2719 5.2945 5.2945 5.4988 5.4988 5.5719 5.5719 9.6502 9.6502 9.6651 9.6651 11.5739 11.5739 11.5787 11.5787 12.3845 12.3845 12.4186 12.4186 13.9133 13.9133 13.9539 13.9539 16.1093 16.1093 16.1963 16.1963 17.2229 17.2229 k = 0.0882 0.5000 0.1794 ( 3188 PWs) bands (ev): -48.0218 -48.0218 -48.0218 -48.0218 -22.3431 -22.3431 -22.3427 -22.3427 -14.8088 -14.8088 -14.8010 -14.8010 -14.4320 -14.4320 -14.4221 -14.4221 4.0308 4.0308 4.0650 4.0650 4.2948 4.2948 4.3029 4.3029 4.8234 4.8234 4.9181 4.9181 5.2756 5.2756 5.3013 5.3013 5.4880 5.4880 5.5712 5.5712 9.6797 9.6797 9.6962 9.6962 11.5878 11.5878 11.5931 11.5931 12.4061 12.4061 12.4440 12.4440 13.9184 13.9184 13.9640 13.9640 16.0834 16.0834 16.1793 16.1793 17.1845 17.1845 k = 0.0980 0.5000 0.1794 ( 3188 PWs) bands (ev): -48.0214 -48.0214 -48.0213 -48.0213 -22.3444 -22.3444 -22.3439 -22.3439 -14.8086 -14.8086 -14.7998 -14.7998 -14.4386 -14.4386 -14.4276 -14.4276 4.0342 4.0342 4.0705 4.0705 4.2901 4.2901 4.3023 4.3023 4.8147 4.8147 4.9223 4.9223 5.2795 5.2795 5.3083 5.3083 5.4768 5.4768 5.5703 5.5703 9.7125 9.7125 9.7305 9.7305 11.6026 11.6026 11.6084 11.6084 12.4297 12.4297 12.4711 12.4711 13.9258 13.9258 13.9762 13.9762 16.0575 16.0575 16.1621 16.1621 17.1460 17.1460 k = 0.1078 0.5000 0.1794 ( 3184 PWs) bands (ev): -48.0209 -48.0209 -48.0209 -48.0209 -22.3457 -22.3457 -22.3452 -22.3452 -14.8083 -14.8083 -14.7986 -14.7986 -14.4457 -14.4457 -14.4336 -14.4336 4.0378 4.0378 4.0755 4.0755 4.2850 4.2850 4.3022 4.3022 4.8062 4.8062 4.9271 4.9271 5.2834 5.2834 5.3154 5.3154 5.4653 5.4653 5.5694 5.5694 9.7484 9.7484 9.7678 9.7678 11.6179 11.6179 11.6243 11.6243 12.4548 12.4548 12.4995 12.4995 13.9357 13.9357 13.9909 13.9909 16.0322 16.0322 16.1450 16.1450 17.1078 17.1078 k = 0.1176 0.5000 0.1794 ( 3184 PWs) bands (ev): -48.0204 -48.0204 -48.0204 -48.0204 -22.3471 -22.3471 -22.3466 -22.3466 -14.8079 -14.8079 -14.7973 -14.7973 -14.4534 -14.4534 -14.4401 -14.4401 4.0414 4.0414 4.0797 4.0797 4.2792 4.2792 4.3024 4.3024 4.7982 4.7982 4.9327 4.9327 5.2873 5.2873 5.3225 5.3225 5.4537 5.4537 5.5686 5.5686 9.7873 9.7873 9.8080 9.8080 11.6336 11.6336 11.6406 11.6406 12.4813 12.4813 12.5289 12.5289 13.9487 13.9487 14.0084 14.0084 16.0079 16.0079 16.1285 16.1285 17.0704 17.0704 k = 0.1275 0.5000 0.1794 ( 3184 PWs) bands (ev): -48.0198 -48.0198 -48.0198 -48.0198 -22.3486 -22.3486 -22.3481 -22.3481 -14.8076 -14.8076 -14.7960 -14.7960 -14.4615 -14.4615 -14.4471 -14.4471 4.0448 4.0448 4.0829 4.0829 4.2730 4.2730 4.3030 4.3030 4.7909 4.7909 4.9392 4.9392 5.2910 5.2910 5.3294 5.3294 5.4423 5.4423 5.5680 5.5680 9.8292 9.8292 9.8511 9.8511 11.6493 11.6493 11.6569 11.6569 12.5087 12.5087 12.5588 12.5588 13.9653 13.9653 14.0292 14.0292 15.9850 15.9850 16.1132 16.1132 17.0342 17.0342 k = 0.1373 0.5000 0.1794 ( 3184 PWs) bands (ev): -48.0193 -48.0193 -48.0192 -48.0192 -22.3503 -22.3503 -22.3497 -22.3497 -14.8073 -14.8073 -14.7947 -14.7947 -14.4699 -14.4699 -14.4545 -14.4545 4.0479 4.0479 4.0850 4.0850 4.2663 4.2663 4.3039 4.3039 4.7844 4.7844 4.9467 4.9467 5.2945 5.2945 5.3357 5.3357 5.4315 5.4315 5.5677 5.5677 9.8738 9.8738 9.8969 9.8969 11.6648 11.6648 11.6729 11.6729 12.5366 12.5366 12.5889 12.5889 13.9859 13.9859 14.0538 14.0538 15.9638 15.9638 16.0993 16.0993 16.9996 16.9996 k = 0.1471 0.5000 0.1794 ( 3184 PWs) bands (ev): -48.0187 -48.0187 -48.0186 -48.0186 -22.3520 -22.3520 -22.3514 -22.3514 -14.8069 -14.8069 -14.7934 -14.7934 -14.4787 -14.4787 -14.4622 -14.4622 4.0507 4.0507 4.0859 4.0859 4.2591 4.2591 4.3050 4.3050 4.7791 4.7791 4.9552 4.9552 5.2978 5.2978 5.3410 5.3410 5.4218 5.4218 5.5679 5.5679 9.9211 9.9211 9.9453 9.9453 11.6797 11.6797 11.6884 11.6884 12.5648 12.5648 12.6186 12.6186 14.0111 14.0111 14.0826 14.0826 15.9446 15.9446 16.0872 16.0872 16.9672 16.9672 k = 0.1569 0.5000 0.1794 ( 3188 PWs) bands (ev): -48.0180 -48.0180 -48.0180 -48.0180 -22.3538 -22.3538 -22.3532 -22.3532 -14.8067 -14.8067 -14.7922 -14.7922 -14.4879 -14.4879 -14.4702 -14.4702 4.0529 4.0529 4.0855 4.0855 4.2515 4.2515 4.3060 4.3060 4.7752 4.7752 4.9648 4.9648 5.3007 5.3007 5.3444 5.3444 5.4140 5.4140 5.5685 5.5685 9.9710 9.9710 9.9961 9.9961 11.6938 11.6938 11.7030 11.7030 12.5928 12.5928 12.6477 12.6477 14.0412 14.0412 14.1159 14.1159 15.9278 15.9278 16.0772 16.0772 16.9374 16.9374 k = 0.1667 0.5000 0.1794 ( 3188 PWs) bands (ev): -48.0174 -48.0174 -48.0173 -48.0173 -22.3557 -22.3557 -22.3551 -22.3551 -14.8064 -14.8064 -14.7909 -14.7909 -14.4972 -14.4972 -14.4784 -14.4784 4.0546 4.0546 4.0839 4.0839 4.2436 4.2436 4.3067 4.3067 4.7730 4.7730 4.9755 4.9755 5.3033 5.3033 5.3450 5.3450 5.4093 5.4093 5.5697 5.5697 10.0233 10.0233 10.0492 10.0492 11.7068 11.7068 11.7166 11.7166 12.6203 12.6203 12.6757 12.6757 14.0766 14.0766 14.1542 14.1542 15.9135 15.9135 16.0695 16.0695 16.9106 16.9106 k = 0.1765 0.5000 0.1794 ( 3184 PWs) bands (ev): -48.0167 -48.0167 -48.0167 -48.0167 -22.3576 -22.3576 -22.3570 -22.3570 -14.8062 -14.8062 -14.7897 -14.7897 -14.5068 -14.5068 -14.4869 -14.4869 4.0557 4.0557 4.0813 4.0813 4.2354 4.2354 4.3067 4.3067 4.7727 4.7727 4.9874 4.9874 5.3055 5.3055 5.3422 5.3422 5.4083 5.4083 5.5716 5.5716 10.0778 10.0778 10.1045 10.1045 11.7184 11.7184 11.7287 11.7287 12.6470 12.6470 12.7024 12.7024 14.1175 14.1175 14.1977 14.1977 15.9021 15.9021 16.0644 16.0644 16.8872 16.8872 k = 0.1863 0.5000 0.1794 ( 3176 PWs) bands (ev): -48.0160 -48.0160 -48.0159 -48.0159 -22.3596 -22.3596 -22.3589 -22.3589 -14.8060 -14.8060 -14.7885 -14.7885 -14.5165 -14.5165 -14.4955 -14.4955 4.0560 4.0560 4.0776 4.0776 4.2269 4.2269 4.3058 4.3058 4.7746 4.7746 5.0004 5.0004 5.3075 5.3075 5.3363 5.3363 5.4108 5.4108 5.5741 5.5741 10.1346 10.1346 10.1619 10.1619 11.7285 11.7285 11.7393 11.7393 12.6726 12.6726 12.7275 12.7275 14.1640 14.1640 14.2464 14.2464 15.8937 15.8937 16.0620 16.0620 16.8676 16.8676 k = 0.1961 0.5000 0.1794 ( 3176 PWs) bands (ev): -48.0152 -48.0152 -48.0152 -48.0152 -22.3617 -22.3617 -22.3610 -22.3610 -14.8059 -14.8059 -14.7875 -14.7875 -14.5263 -14.5263 -14.5042 -14.5042 4.0555 4.0555 4.0729 4.0729 4.2181 4.2181 4.3035 4.3035 4.7786 4.7786 5.0143 5.0143 5.3091 5.3091 5.3284 5.3284 5.4157 5.4157 5.5772 5.5772 10.1933 10.1933 10.2213 10.2213 11.7368 11.7368 11.7481 11.7481 12.6969 12.6969 12.7509 12.7509 14.2161 14.2161 14.3005 14.3005 15.8886 15.8886 16.0626 16.0626 16.8521 16.8521 k = 0.2059 0.5000 0.1794 ( 3176 PWs) bands (ev): -48.0145 -48.0145 -48.0145 -48.0145 -22.3638 -22.3638 -22.3631 -22.3631 -14.8060 -14.8060 -14.7866 -14.7866 -14.5361 -14.5361 -14.5129 -14.5129 4.0542 4.0542 4.0675 4.0675 4.2090 4.2090 4.2999 4.2999 4.7848 4.7848 5.0292 5.0292 5.3104 5.3104 5.3196 5.3196 5.4221 5.4221 5.5810 5.5810 10.2539 10.2539 10.2824 10.2824 11.7434 11.7434 11.7550 11.7550 12.7198 12.7198 12.7726 12.7726 14.2735 14.2735 14.3599 14.3599 15.8867 15.8867 16.0663 16.0663 16.8409 16.8409 k = 0.2157 0.5000 0.1794 ( 3172 PWs) bands (ev): -48.0137 -48.0137 -48.0137 -48.0137 -22.3659 -22.3659 -22.3652 -22.3652 -14.8062 -14.8062 -14.7858 -14.7858 -14.5458 -14.5458 -14.5217 -14.5217 4.0521 4.0521 4.0614 4.0614 4.1999 4.1999 4.2948 4.2948 4.7933 4.7933 5.0448 5.0448 5.3105 5.3105 5.3115 5.3115 5.4295 5.4295 5.5854 5.5854 10.3163 10.3163 10.3452 10.3452 11.7481 11.7481 11.7601 11.7601 12.7411 12.7411 12.7924 12.7924 14.3360 14.3360 14.4242 14.4242 15.8883 15.8883 16.0731 16.0731 16.8343 16.8343 k = 0.2255 0.5000 0.1794 ( 3168 PWs) bands (ev): -48.0130 -48.0130 -48.0129 -48.0129 -22.3681 -22.3681 -22.3673 -22.3673 -14.8066 -14.8066 -14.7852 -14.7852 -14.5555 -14.5555 -14.5303 -14.5303 4.0492 4.0492 4.0548 4.0548 4.1905 4.1905 4.2881 4.2881 4.8038 4.8038 5.0610 5.0610 5.3017 5.3017 5.3124 5.3124 5.4375 5.4375 5.5904 5.5904 10.3802 10.3802 10.4094 10.4094 11.7510 11.7510 11.7632 11.7632 12.7608 12.7608 12.8105 12.8105 14.4032 14.4032 14.4933 14.4933 15.8934 15.8934 16.0831 16.0831 16.8322 16.8322 k = 0.2353 0.5000 0.1794 ( 3172 PWs) bands (ev): -48.0122 -48.0122 -48.0122 -48.0122 -22.3703 -22.3703 -22.3696 -22.3696 -14.8071 -14.8071 -14.7848 -14.7848 -14.5650 -14.5650 -14.5389 -14.5389 4.0455 4.0455 4.0477 4.0477 4.1809 4.1809 4.2800 4.2800 4.8160 4.8160 5.0775 5.0775 5.2933 5.2933 5.3132 5.3132 5.4460 5.4460 5.5959 5.5959 10.4454 10.4454 10.4750 10.4750 11.7523 11.7523 11.7646 11.7646 12.7788 12.7788 12.8268 12.8268 14.4744 14.4744 14.5666 14.5666 15.9019 15.9019 16.0962 16.0962 16.8349 16.8349 k = 0.2451 0.5000 0.1794 ( 3172 PWs) bands (ev): -48.0114 -48.0114 -48.0114 -48.0114 -22.3726 -22.3726 -22.3718 -22.3718 -14.8078 -14.8078 -14.7847 -14.7847 -14.5742 -14.5742 -14.5473 -14.5473 4.0402 4.0402 4.0412 4.0412 4.1711 4.1711 4.2705 4.2705 4.8299 4.8299 5.0940 5.0940 5.2857 5.2857 5.3140 5.3140 5.4549 5.4549 5.6020 5.6020 10.5118 10.5118 10.5416 10.5416 11.7521 11.7521 11.7644 11.7644 12.7950 12.7950 12.8415 12.8415 14.5492 14.5492 14.6436 14.6436 15.9138 15.9138 16.1124 16.1124 16.8421 16.8421 k = 0.2549 0.5000 0.1794 ( 3172 PWs) bands (ev): -48.0106 -48.0106 -48.0106 -48.0106 -22.3748 -22.3748 -22.3741 -22.3741 -14.8087 -14.8087 -14.7849 -14.7849 -14.5831 -14.5831 -14.5555 -14.5555 4.0326 4.0326 4.0363 4.0363 4.1612 4.1612 4.2598 4.2598 4.8450 4.8450 5.1103 5.1103 5.2792 5.2792 5.3148 5.3148 5.4641 5.4641 5.6085 5.6085 10.5791 10.5791 10.6091 10.6091 11.7507 11.7507 11.7630 11.7630 12.8096 12.8096 12.8544 12.8544 14.6270 14.6270 14.7237 14.7237 15.9287 15.9287 16.1312 16.1312 16.8538 16.8538 k = 0.2647 0.5000 0.1794 ( 3168 PWs) bands (ev): -48.0098 -48.0098 -48.0098 -48.0098 -22.3771 -22.3771 -22.3763 -22.3763 -14.8098 -14.8098 -14.7854 -14.7854 -14.5916 -14.5916 -14.5634 -14.5634 4.0248 4.0248 4.0309 4.0309 4.1511 4.1511 4.2481 4.2481 4.8612 4.8612 5.1258 5.1258 5.2741 5.2741 5.3157 5.3157 5.4738 5.4738 5.6155 5.6155 10.6469 10.6469 10.6771 10.6771 11.7485 11.7485 11.7607 11.7607 12.8224 12.8224 12.8657 12.8657 14.7071 14.7071 14.8063 14.8063 15.9464 15.9464 16.1522 16.1522 16.8697 16.8697 k = 0.2745 0.5000 0.1794 ( 3168 PWs) bands (ev): -48.0091 -48.0091 -48.0090 -48.0090 -22.3793 -22.3793 -22.3786 -22.3786 -14.8112 -14.8112 -14.7862 -14.7862 -14.5997 -14.5997 -14.5710 -14.5710 4.0170 4.0170 4.0251 4.0251 4.1409 4.1409 4.2355 4.2355 4.8780 4.8780 5.1399 5.1399 5.2709 5.2709 5.3168 5.3168 5.4839 5.4839 5.6229 5.6229 10.7150 10.7150 10.7451 10.7451 11.7461 11.7461 11.7580 11.7580 12.8336 12.8336 12.8754 12.8754 14.7890 14.7890 14.8908 14.8908 15.9662 15.9662 16.1747 16.1747 16.8893 16.8893 k = 0.2843 0.5000 0.1794 ( 3156 PWs) bands (ev): -48.0083 -48.0083 -48.0083 -48.0083 -22.3814 -22.3814 -22.3807 -22.3807 -14.8127 -14.8127 -14.7874 -14.7874 -14.6071 -14.6071 -14.5782 -14.5782 4.0092 4.0092 4.0191 4.0191 4.1307 4.1307 4.2223 4.2223 4.8953 4.8953 5.1519 5.1519 5.2701 5.2701 5.3181 5.3181 5.4945 5.4945 5.6307 5.6307 10.7827 10.7827 10.8129 10.8129 11.7440 11.7440 11.7556 11.7556 12.8430 12.8430 12.8835 12.8835 14.8721 14.8721 14.9765 14.9765 15.9875 15.9875 16.1978 16.1978 16.9122 16.9122 k = 0.2941 0.5000 0.1794 ( 3152 PWs) bands (ev): -48.0075 -48.0075 -48.0075 -48.0075 -22.3836 -22.3836 -22.3829 -22.3829 -14.8144 -14.8144 -14.7890 -14.7890 -14.6141 -14.6141 -14.5850 -14.5850 4.0015 4.0015 4.0128 4.0128 4.1204 4.1204 4.2086 4.2086 4.9127 4.9127 5.1612 5.1612 5.2720 5.2720 5.3196 5.3196 5.5055 5.5055 5.6387 5.6387 10.8496 10.8496 10.8796 10.8796 11.7430 11.7430 11.7541 11.7541 12.8509 12.8509 12.8901 12.8901 14.9559 14.9559 15.0627 15.0627 16.0092 16.0092 16.2201 16.2201 16.9378 16.9378 k = 0.3039 0.5000 0.1794 ( 3156 PWs) bands (ev): -48.0068 -48.0068 -48.0068 -48.0068 -22.3858 -22.3858 -22.3851 -22.3851 -14.8165 -14.8165 -14.7911 -14.7911 -14.6204 -14.6204 -14.5915 -14.5915 3.9938 3.9938 4.0063 4.0063 4.1099 4.1099 4.1945 4.1945 4.9300 4.9300 5.1674 5.1674 5.2768 5.2768 5.3212 5.3212 5.5170 5.5170 5.6468 5.6468 10.9147 10.9147 10.9444 10.9444 11.7440 11.7440 11.7546 11.7546 12.8572 12.8572 12.8951 12.8951 15.0399 15.0399 15.1488 15.1488 16.0302 16.0302 16.2401 16.2401 16.9656 16.9656 k = 0.3137 0.5000 0.1794 ( 3144 PWs) bands (ev): -48.0060 -48.0060 -48.0060 -48.0060 -22.3878 -22.3878 -22.3871 -22.3871 -14.8186 -14.8186 -14.7935 -14.7935 -14.6261 -14.6261 -14.5975 -14.5975 3.9865 3.9865 3.9999 3.9999 4.0996 4.0996 4.1802 4.1802 4.9470 4.9470 5.1708 5.1708 5.2841 5.2841 5.3233 5.3233 5.5293 5.5293 5.6553 5.6553 10.9773 10.9773 11.0064 11.0064 11.7483 11.7483 11.7580 11.7580 12.8621 12.8621 12.8987 12.8987 15.1237 15.1237 15.2341 15.2341 16.0492 16.0492 16.2560 16.2560 16.9951 16.9951 k = 0.3235 0.5000 0.1794 ( 3144 PWs) bands (ev): -48.0053 -48.0053 -48.0053 -48.0053 -22.3899 -22.3899 -22.3892 -22.3892 -14.8210 -14.8210 -14.7964 -14.7964 -14.6311 -14.6311 -14.6032 -14.6032 3.9793 3.9793 3.9934 3.9934 4.0892 4.0892 4.1658 4.1658 4.9635 4.9635 5.1719 5.1719 5.2932 5.2932 5.3256 5.3256 5.5419 5.5419 5.6638 5.6638 11.0361 11.0361 11.0643 11.0643 11.7570 11.7570 11.7657 11.7657 12.8656 12.8656 12.9010 12.9010 15.2067 15.2067 15.3179 15.3179 16.0646 16.0646 16.2658 16.2658 17.0262 17.0262 k = 0.3333 0.5000 0.1794 ( 3140 PWs) bands (ev): -48.0046 -48.0046 -48.0046 -48.0046 -22.3919 -22.3919 -22.3912 -22.3912 -14.8236 -14.8236 -14.7997 -14.7997 -14.6355 -14.6355 -14.6083 -14.6083 3.9725 3.9725 3.9872 3.9872 4.0789 4.0789 4.1514 4.1514 4.9793 4.9793 5.1714 5.1714 5.3031 5.3031 5.3282 5.3282 5.5551 5.5551 5.6724 5.6724 11.0897 11.0897 11.1167 11.1167 11.7718 11.7718 11.7789 11.7789 12.8679 12.8679 12.9020 12.9020 15.2886 15.2886 15.3994 15.3994 16.0752 16.0752 16.2675 16.2675 17.0588 17.0588 k = 0.3431 0.5000 0.1794 ( 3136 PWs) bands (ev): -48.0040 -48.0040 -48.0039 -48.0039 -22.3938 -22.3938 -22.3931 -22.3931 -14.8263 -14.8263 -14.8032 -14.8032 -14.6392 -14.6392 -14.6130 -14.6130 3.9659 3.9659 3.9812 3.9812 4.0686 4.0686 4.1372 4.1372 4.9945 4.9945 5.1699 5.1699 5.3133 5.3133 5.3311 5.3311 5.5689 5.5689 5.6810 5.6810 11.1370 11.1370 11.1622 11.1622 11.7938 11.7938 11.7991 11.7991 12.8691 12.8691 12.9019 12.9019 15.3685 15.3685 15.4775 15.4775 16.0799 16.0799 16.2597 16.2597 17.0936 17.0936 k = 0.3529 0.5000 0.1794 ( 3140 PWs) bands (ev): -48.0033 -48.0033 -48.0033 -48.0033 -22.3957 -22.3957 -22.3951 -22.3951 -14.8292 -14.8292 -14.8071 -14.8071 -14.6424 -14.6424 -14.6174 -14.6174 3.9597 3.9597 3.9753 3.9753 4.0586 4.0586 4.1231 4.1231 5.0087 5.0087 5.1677 5.1677 5.3232 5.3232 5.3342 5.3342 5.5830 5.5830 5.6894 5.6894 11.1767 11.1767 11.1997 11.1997 11.8242 11.8242 11.8272 11.8272 12.8693 12.8693 12.9009 12.9009 15.4457 15.4457 15.5504 15.5504 16.0789 16.0789 16.2418 16.2418 17.1310 17.1310 k = 0.3627 0.5000 0.1794 ( 3152 PWs) bands (ev): -48.0027 -48.0027 -48.0027 -48.0027 -22.3976 -22.3976 -22.3970 -22.3970 -14.8321 -14.8321 -14.8113 -14.8113 -14.6450 -14.6450 -14.6214 -14.6214 3.9539 3.9539 3.9697 3.9697 4.0488 4.0488 4.1093 4.1093 5.0219 5.0219 5.1651 5.1651 5.3324 5.3324 5.3375 5.3375 5.5973 5.5973 5.6976 5.6976 11.2085 11.2085 11.2290 11.2290 11.8630 11.8630 11.8635 11.8635 12.8688 12.8688 12.8990 12.8990 15.5186 15.5186 15.6153 15.6153 16.0737 16.0737 16.2148 16.2148 17.1717 17.1717 k = 0.3725 0.5000 0.1794 ( 3152 PWs) bands (ev): -48.0022 -48.0022 -48.0021 -48.0021 -22.3993 -22.3993 -22.3987 -22.3987 -14.8350 -14.8350 -14.8155 -14.8155 -14.6471 -14.6471 -14.6249 -14.6249 3.9486 3.9486 3.9646 3.9646 4.0393 4.0393 4.0959 4.0959 5.0343 5.0343 5.1624 5.1624 5.3409 5.3409 5.3411 5.3411 5.6119 5.6119 5.7057 5.7057 11.2325 11.2325 11.2504 11.2504 11.9078 11.9078 11.9098 11.9098 12.8678 12.8678 12.8965 12.8965 15.5848 15.5848 15.6671 15.6671 16.0690 16.0690 16.1815 16.1815 17.2162 17.2162 k = 0.3824 0.5000 0.1794 ( 3144 PWs) bands (ev): -48.0016 -48.0016 -48.0016 -48.0016 -22.4008 -22.4008 -22.4003 -22.4003 -14.8378 -14.8378 -14.8197 -14.8197 -14.6487 -14.6487 -14.6281 -14.6281 3.9439 3.9439 3.9599 3.9599 4.0303 4.0303 4.0831 4.0831 5.0458 5.0458 5.1596 5.1596 5.3449 5.3449 5.3487 5.3487 5.6265 5.6265 5.7135 5.7135 11.2496 11.2496 11.2650 11.2650 11.9589 11.9589 11.9632 11.9632 12.8663 12.8663 12.8935 12.8935 15.6398 15.6398 15.6987 15.6987 16.0723 16.0723 16.1475 16.1475 17.2643 17.2643 k = 0.3922 0.5000 0.1794 ( 3140 PWs) bands (ev): -48.0011 -48.0011 -48.0011 -48.0011 -22.4022 -22.4022 -22.4018 -22.4018 -14.8405 -14.8405 -14.8239 -14.8239 -14.6499 -14.6499 -14.6309 -14.6309 3.9396 3.9396 3.9555 3.9555 4.0217 4.0217 4.0708 4.0708 5.0562 5.0562 5.1569 5.1569 5.3487 5.3487 5.3555 5.3555 5.6408 5.6408 5.7208 5.7208 11.2608 11.2608 11.2740 11.2740 12.0151 12.0151 12.0214 12.0214 12.8647 12.8647 12.8903 12.8903 15.6765 15.6765 15.7036 15.7036 16.0911 16.0911 16.1219 16.1219 17.3157 17.3157 k = 0.4020 0.5000 0.1794 ( 3136 PWs) bands (ev): -48.0006 -48.0006 -48.0006 -48.0006 -22.4036 -22.4036 -22.4032 -22.4032 -14.8432 -14.8432 -14.8280 -14.8280 -14.6508 -14.6508 -14.6335 -14.6335 3.9358 3.9358 3.9516 3.9516 4.0135 4.0135 4.0590 4.0590 5.0658 5.0658 5.1541 5.1541 5.3526 5.3526 5.3615 5.3615 5.6549 5.6549 5.7276 5.7276 11.2677 11.2677 11.2788 11.2788 12.0747 12.0747 12.0825 12.0825 12.8630 12.8630 12.8870 12.8870 15.6824 15.6824 15.6865 15.6865 16.1151 16.1151 16.1262 16.1262 17.3699 17.3699 k = 0.4118 0.5000 0.1794 ( 3140 PWs) bands (ev): -48.0002 -48.0002 -48.0002 -48.0002 -22.4049 -22.4049 -22.4045 -22.4045 -14.8457 -14.8457 -14.8320 -14.8320 -14.6514 -14.6514 -14.6358 -14.6358 3.9325 3.9325 3.9480 3.9480 4.0060 4.0060 4.0478 4.0478 5.0745 5.0745 5.1513 5.1513 5.3564 5.3564 5.3666 5.3666 5.6684 5.6684 5.7338 5.7338 11.2712 11.2712 11.2806 11.2806 12.1357 12.1357 12.1447 12.1447 12.8616 12.8616 12.8838 12.8838 15.6421 15.6421 15.6669 15.6669 16.1320 16.1320 16.1723 16.1723 17.4260 17.4260 k = 0.4216 0.5000 0.1794 ( 3144 PWs) bands (ev): -47.9998 -47.9998 -47.9998 -47.9998 -22.4061 -22.4061 -22.4057 -22.4057 -14.8480 -14.8480 -14.8358 -14.8358 -14.6518 -14.6518 -14.6379 -14.6379 3.9298 3.9298 3.9449 3.9449 3.9992 3.9992 4.0372 4.0372 5.0824 5.0824 5.1485 5.1485 5.3601 5.3601 5.3708 5.3708 5.6812 5.6812 5.7392 5.7392 11.2724 11.2724 11.2803 11.2803 12.1966 12.1966 12.2062 12.2062 12.8605 12.8605 12.8809 12.8809 15.5906 15.5906 15.6245 15.6245 16.1676 16.1676 16.2234 16.2234 17.4830 17.4830 k = 0.4314 0.5000 0.1794 ( 3140 PWs) bands (ev): -47.9994 -47.9994 -47.9994 -47.9994 -22.4071 -22.4071 -22.4067 -22.4067 -14.8499 -14.8499 -14.8394 -14.8394 -14.6519 -14.6519 -14.6398 -14.6398 3.9277 3.9277 3.9421 3.9421 3.9933 3.9933 4.0275 4.0275 5.0896 5.0896 5.1457 5.1457 5.3637 5.3637 5.3743 5.3743 5.6933 5.6933 5.7439 5.7439 11.2721 11.2721 11.2788 11.2788 12.2554 12.2554 12.2653 12.2653 12.8600 12.8600 12.8785 12.8785 15.5341 15.5341 15.5696 15.5696 16.2135 16.2135 16.2750 16.2750 17.5397 17.5397 k = 0.4412 0.5000 0.1794 ( 3144 PWs) bands (ev): -47.9991 -47.9991 -47.9991 -47.9991 -22.4080 -22.4080 -22.4077 -22.4077 -14.8517 -14.8517 -14.8426 -14.8426 -14.6518 -14.6518 -14.6415 -14.6415 3.9260 3.9260 3.9395 3.9395 3.9882 3.9882 4.0185 4.0185 5.0960 5.0960 5.1429 5.1429 5.3671 5.3671 5.3771 5.3771 5.7044 5.7044 5.7477 5.7477 11.2710 11.2710 11.2764 11.2764 12.3106 12.3106 12.3203 12.3203 12.8602 12.8602 12.8766 12.8766 15.4771 15.4771 15.5103 15.5103 16.2630 16.2630 16.3240 16.3240 17.5948 17.5948 k = 0.4510 0.5000 0.1794 ( 3140 PWs) bands (ev): -47.9989 -47.9989 -47.9989 -47.9989 -22.4087 -22.4087 -22.4085 -22.4085 -14.8530 -14.8530 -14.8455 -14.8455 -14.6516 -14.6516 -14.6430 -14.6430 3.9251 3.9251 3.9372 3.9372 3.9844 3.9844 4.0103 4.0103 5.1018 5.1018 5.1401 5.1401 5.3702 5.3702 5.3792 5.3792 5.7146 5.7146 5.7505 5.7505 11.2694 11.2694 11.2738 11.2738 12.3606 12.3606 12.3696 12.3696 12.8612 12.8612 12.8753 12.8753 15.4233 15.4233 15.4523 15.4523 16.3117 16.3117 16.3681 16.3681 17.6466 17.6467 k = 0.4608 0.5000 0.1794 ( 3136 PWs) bands (ev): -47.9987 -47.9987 -47.9987 -47.9987 -22.4093 -22.4093 -22.4091 -22.4091 -14.8541 -14.8541 -14.8481 -14.8481 -14.6512 -14.6512 -14.6443 -14.6443 3.9246 3.9246 3.9350 3.9350 3.9816 3.9816 4.0030 4.0030 5.1072 5.1072 5.1372 5.1372 5.3731 5.3731 5.3807 5.3807 5.7237 5.7237 5.7524 5.7524 11.2678 11.2678 11.2712 11.2712 12.4039 12.4039 12.4118 12.4118 12.8630 12.8630 12.8745 12.8745 15.3755 15.3755 15.3993 15.3993 16.3567 16.3567 16.4056 16.4056 17.6936 17.6937 k = 0.4706 0.5000 0.1794 ( 3140 PWs) bands (ev): -47.9985 -47.9985 -47.9985 -47.9985 -22.4098 -22.4098 -22.4097 -22.4097 -14.8547 -14.8547 -14.8503 -14.8503 -14.6508 -14.6508 -14.6456 -14.6456 3.9247 3.9247 3.9329 3.9329 3.9800 3.9800 3.9965 3.9965 5.1120 5.1120 5.1342 5.1342 5.3755 5.3755 5.3814 5.3814 5.7315 5.7315 5.7530 5.7530 11.2664 11.2664 11.2689 11.2689 12.4391 12.4391 12.4455 12.4455 12.8653 12.8653 12.8741 12.8741 15.3362 15.3362 15.3544 15.3544 16.3959 16.3959 16.4348 16.4348 17.7339 17.7340 k = 0.4804 0.5000 0.1794 ( 3148 PWs) bands (ev): -47.9984 -47.9984 -47.9984 -47.9984 -22.4102 -22.4102 -22.4101 -22.4101 -14.8551 -14.8551 -14.8521 -14.8521 -14.6502 -14.6502 -14.6467 -14.6467 3.9251 3.9251 3.9308 3.9308 3.9797 3.9797 3.9909 3.9909 5.1163 5.1163 5.1310 5.1310 5.3776 5.3776 5.3816 5.3816 5.7382 5.7382 5.7525 5.7525 11.2654 11.2654 11.2670 11.2670 12.4654 12.4654 12.4698 12.4698 12.8678 12.8678 12.8738 12.8738 15.3075 15.3075 15.3197 15.3197 16.4274 16.4274 16.4544 16.4544 17.7661 17.7661 k = 0.4902 0.5000 0.1794 ( 3152 PWs) bands (ev): -47.9983 -47.9983 -47.9983 -47.9983 -22.4104 -22.4104 -22.4104 -22.4104 -14.8550 -14.8550 -14.8535 -14.8535 -14.6495 -14.6495 -14.6478 -14.6478 3.9260 3.9260 3.9290 3.9290 3.9807 3.9807 3.9864 3.9864 5.1204 5.1204 5.1277 5.1277 5.3793 5.3793 5.3814 5.3814 5.7436 5.7436 5.7507 5.7507 11.2648 11.2648 11.2657 11.2657 12.4819 12.4819 12.4842 12.4842 12.8702 12.8702 12.8732 12.8732 15.2909 15.2909 15.2970 15.2970 16.4498 16.4498 16.4637 16.4637 17.7890 17.7907 k = 0.5000 0.5000 0.1794 ( 3160 PWs) bands (ev): -47.9983 -47.9983 -47.9983 -47.9983 -22.4105 -22.4105 -22.4105 -22.4105 -14.8545 -14.8545 -14.8545 -14.8545 -14.6488 -14.6488 -14.6488 -14.6488 3.9272 3.9272 3.9272 3.9272 3.9829 3.9829 3.9829 3.9829 5.1241 5.1241 5.1241 5.1241 5.3806 5.3806 5.3806 5.3806 5.7478 5.7478 5.7478 5.7478 11.2649 11.2649 11.2649 11.2649 12.4882 12.4882 12.4882 12.4882 12.8721 12.8721 12.8721 12.8721 15.2873 15.2873 15.2873 15.2873 16.4621 16.4621 16.4621 16.4621 17.8021 17.8021 k = 0.5000 0.5000 0.1794 ( 3160 PWs) bands (ev): -47.9983 -47.9983 -47.9983 -47.9983 -22.4105 -22.4105 -22.4105 -22.4105 -14.8545 -14.8545 -14.8545 -14.8545 -14.6488 -14.6488 -14.6488 -14.6488 3.9272 3.9272 3.9272 3.9272 3.9829 3.9829 3.9829 3.9829 5.1241 5.1241 5.1241 5.1241 5.3806 5.3806 5.3806 5.3806 5.7478 5.7478 5.7478 5.7478 11.2649 11.2649 11.2649 11.2649 12.4882 12.4882 12.4882 12.4882 12.8721 12.8721 12.8721 12.8721 15.2873 15.2873 15.2873 15.2873 16.4621 16.4621 16.4621 16.4621 17.8021 17.8021 k = 0.4931 0.4931 0.1794 ( 3154 PWs) bands (ev): -47.9983 -47.9983 -47.9983 -47.9983 -22.4105 -22.4105 -22.4104 -22.4104 -14.8550 -14.8550 -14.8535 -14.8535 -14.6495 -14.6495 -14.6478 -14.6478 3.9260 3.9260 3.9289 3.9289 3.9807 3.9807 3.9864 3.9864 5.1204 5.1204 5.1277 5.1277 5.3793 5.3793 5.3814 5.3814 5.7436 5.7436 5.7508 5.7508 11.2648 11.2648 11.2657 11.2657 12.4756 12.4756 12.4905 12.4905 12.8697 12.8697 12.8737 12.8737 15.2870 15.2870 15.3009 15.3009 16.4489 16.4489 16.4645 16.4645 17.7853 17.7854 k = 0.4861 0.4861 0.1794 ( 3154 PWs) bands (ev): -47.9984 -47.9984 -47.9984 -47.9984 -22.4103 -22.4103 -22.4101 -22.4101 -14.8551 -14.8551 -14.8521 -14.8521 -14.6502 -14.6502 -14.6468 -14.6468 3.9250 3.9250 3.9308 3.9308 3.9797 3.9797 3.9910 3.9910 5.1164 5.1164 5.1309 5.1309 5.3773 5.3773 5.3819 5.3819 5.7379 5.7379 5.7525 5.7525 11.2649 11.2649 11.2673 11.2673 12.4389 12.4389 12.4971 12.4971 12.8645 12.8645 12.8768 12.8768 15.2882 15.2882 15.3387 15.3387 16.4217 16.4217 16.4603 16.4603 17.7464 17.7464 k = 0.4792 0.4792 0.1794 ( 3150 PWs) bands (ev): -47.9985 -47.9985 -47.9985 -47.9985 -22.4099 -22.4099 -22.4097 -22.4097 -14.8548 -14.8548 -14.8503 -14.8503 -14.6509 -14.6509 -14.6456 -14.6456 3.9243 3.9243 3.9330 3.9330 3.9797 3.9797 3.9967 3.9967 5.1121 5.1121 5.1340 5.1340 5.3746 5.3746 5.3822 5.3822 5.7310 5.7310 5.7534 5.7534 11.2652 11.2652 11.2693 11.2693 12.3807 12.3807 12.5081 12.5081 12.8563 12.8563 12.8820 12.8820 15.2898 15.2898 15.3986 15.3986 16.3805 16.3805 16.4515 16.4515 17.6873 17.6873 k = 0.4722 0.4722 0.1794 ( 3138 PWs) bands (ev): -47.9987 -47.9987 -47.9986 -47.9986 -22.4095 -22.4095 -22.4089 -22.4089 -14.8540 -14.8540 -14.8480 -14.8480 -14.6514 -14.6514 -14.6443 -14.6443 3.9242 3.9242 3.9355 3.9355 3.9810 3.9810 4.0035 4.0035 5.1076 5.1076 5.1368 5.1368 5.3712 5.3712 5.3826 5.3826 5.7226 5.7226 5.7533 5.7533 11.2653 11.2653 11.2709 11.2709 12.3050 12.3050 12.5234 12.5234 12.8449 12.8449 12.8894 12.8894 15.2911 15.2911 15.4768 15.4768 16.3280 16.3280 16.4388 16.4388 17.6129 17.6129 k = 0.4653 0.4653 0.1794 ( 3140 PWs) bands (ev): -47.9990 -47.9990 -47.9988 -47.9988 -22.4090 -22.4090 -22.4082 -22.4082 -14.8529 -14.8529 -14.8454 -14.8454 -14.6519 -14.6519 -14.6429 -14.6429 3.9245 3.9245 3.9383 3.9383 3.9832 3.9832 4.0111 4.0111 5.1028 5.1028 5.1393 5.1393 5.3666 5.3666 5.3827 5.3827 5.7126 5.7126 5.7523 5.7523 11.2650 11.2650 11.2708 11.2708 12.2168 12.2168 12.5428 12.5428 12.8307 12.8307 12.8990 12.8990 15.2910 15.2910 15.5688 15.5688 16.2676 16.2676 16.4224 16.4224 17.5274 17.5274 k = 0.4583 0.4583 0.1794 ( 3142 PWs) bands (ev): -47.9993 -47.9993 -47.9990 -47.9990 -22.4084 -22.4084 -22.4072 -22.4072 -14.8514 -14.8514 -14.8424 -14.8424 -14.6524 -14.6524 -14.6413 -14.6413 3.9252 3.9252 3.9412 3.9412 3.9866 3.9866 4.0197 4.0197 5.0977 5.0977 5.1416 5.1416 5.3612 5.3612 5.3828 5.3828 5.7010 5.7010 5.7504 5.7504 11.2625 11.2625 11.2680 11.2680 12.1220 12.1220 12.5663 12.5663 12.8139 12.8139 12.9109 12.9109 15.2883 15.2883 15.6697 15.6697 16.2034 16.2034 16.4030 16.4030 17.4343 17.4343 k = 0.4514 0.4514 0.1794 ( 3142 PWs) bands (ev): -47.9997 -47.9997 -47.9992 -47.9992 -22.4077 -22.4077 -22.4060 -22.4060 -14.8495 -14.8495 -14.8389 -14.8389 -14.6528 -14.6528 -14.6395 -14.6395 3.9266 3.9266 3.9445 3.9445 3.9908 3.9908 4.0292 4.0292 5.0923 5.0923 5.1438 5.1438 5.3547 5.3547 5.3831 5.3831 5.6879 5.6879 5.7480 5.7480 11.2507 11.2507 11.2654 11.2654 12.0275 12.0275 12.5934 12.5934 12.7950 12.7950 12.9251 12.9251 15.2810 15.2810 15.7744 15.7744 16.1396 16.1396 16.3812 16.3812 17.3366 17.3366 k = 0.4444 0.4444 0.1794 ( 3146 PWs) bands (ev): -48.0001 -48.0001 -47.9995 -47.9995 -22.4069 -22.4069 -22.4048 -22.4048 -14.8472 -14.8472 -14.8351 -14.8351 -14.6532 -14.6532 -14.6377 -14.6377 3.9285 3.9285 3.9481 3.9481 3.9961 3.9961 4.0395 4.0395 5.0866 5.0866 5.1456 5.1456 5.3473 5.3473 5.3832 5.3832 5.6735 5.6735 5.7450 5.7450 11.2237 11.2237 11.2630 11.2630 11.9414 11.9414 12.6236 12.6236 12.7748 12.7748 12.9414 12.9414 15.2673 15.2673 15.8766 15.8766 16.0806 16.0806 16.3584 16.3584 17.2368 17.2368 k = 0.4375 0.4375 0.1794 ( 3152 PWs) bands (ev): -48.0006 -48.0006 -47.9999 -47.9999 -22.4061 -22.4061 -22.4033 -22.4033 -14.8445 -14.8445 -14.8308 -14.8308 -14.6537 -14.6537 -14.6356 -14.6356 3.9310 3.9310 3.9520 3.9520 4.0021 4.0021 4.0506 4.0506 5.0806 5.0806 5.1471 5.1471 5.3388 5.3388 5.3833 5.3833 5.6576 5.6576 5.7413 5.7413 11.1760 11.1760 11.2594 11.2594 11.8723 11.8723 12.6545 12.6545 12.7557 12.7557 12.9599 12.9599 15.2449 15.2449 15.9654 15.9654 16.0335 16.0335 16.3380 16.3380 17.1374 17.1374 k = 0.4306 0.4306 0.1794 ( 3154 PWs) bands (ev): -48.0011 -48.0011 -48.0002 -48.0002 -22.4050 -22.4050 -22.4017 -22.4017 -14.8414 -14.8414 -14.8261 -14.8261 -14.6540 -14.6540 -14.6334 -14.6334 3.9342 3.9342 3.9563 3.9563 4.0091 4.0091 4.0625 4.0625 5.0744 5.0744 5.1485 5.1485 5.3294 5.3294 5.3834 5.3834 5.6405 5.6405 5.7371 5.7371 11.1032 11.1032 11.2541 11.2541 11.8263 11.8263 12.6769 12.6769 12.7470 12.7470 12.9805 12.9805 15.2126 15.2126 15.9790 15.9790 16.0510 16.0510 16.3269 16.3269 17.0417 17.0417 k = 0.4236 0.4236 0.1794 ( 3154 PWs) bands (ev): -48.0017 -48.0017 -48.0007 -48.0007 -22.4039 -22.4039 -22.3999 -22.3999 -14.8379 -14.8379 -14.8211 -14.8211 -14.6543 -14.6543 -14.6310 -14.6310 3.9380 3.9380 3.9609 3.9609 4.0167 4.0167 4.0750 4.0750 5.0680 5.0680 5.1496 5.1496 5.3190 5.3190 5.3836 5.3836 5.6223 5.6223 5.7326 5.7326 11.0058 11.0058 11.2466 11.2466 11.8043 11.8043 12.6722 12.6722 12.7677 12.7677 13.0033 13.0033 15.1702 15.1702 15.9532 15.9532 16.0834 16.0834 16.3342 16.3342 16.9541 16.9541 k = 0.4167 0.4167 0.1794 ( 3152 PWs) bands (ev): -48.0023 -48.0023 -48.0011 -48.0011 -22.4026 -22.4026 -22.3979 -22.3979 -14.8341 -14.8341 -14.8155 -14.8155 -14.6546 -14.6546 -14.6284 -14.6284 3.9425 3.9425 3.9659 3.9659 4.0251 4.0251 4.0883 4.0883 5.0613 5.0613 5.1505 5.1505 5.3077 5.3077 5.3838 5.3838 5.6031 5.6031 5.7276 5.7276 10.8885 10.8885 11.2363 11.2363 11.8026 11.8026 12.6499 12.6499 12.8080 12.8080 13.0280 13.0280 15.1188 15.1188 15.9361 15.9361 16.0792 16.0792 16.3542 16.3542 16.8819 16.8819 k = 0.4097 0.4097 0.1794 ( 3152 PWs) bands (ev): -48.0030 -48.0030 -48.0016 -48.0016 -22.4013 -22.4013 -22.3958 -22.3958 -14.8299 -14.8299 -14.8097 -14.8097 -14.6549 -14.6549 -14.6257 -14.6257 3.9476 3.9476 3.9713 3.9713 4.0341 4.0341 4.1020 4.1020 5.0544 5.0544 5.1510 5.1510 5.2954 5.2954 5.3841 5.3841 5.5830 5.5830 5.7222 5.7222 10.7570 10.7570 11.2228 11.2228 11.8162 11.8162 12.6222 12.6222 12.8558 12.8558 13.0548 13.0548 15.0612 15.0612 15.9269 15.9269 16.0512 16.0512 16.3623 16.3623 16.8351 16.8351 k = 0.4028 0.4028 0.1794 ( 3148 PWs) bands (ev): -48.0037 -48.0037 -48.0021 -48.0021 -22.3998 -22.3998 -22.3934 -22.3934 -14.8253 -14.8253 -14.8034 -14.8034 -14.6551 -14.6551 -14.6227 -14.6227 3.9534 3.9534 3.9772 3.9772 4.0437 4.0437 4.1163 4.1163 5.0474 5.0474 5.1511 5.1511 5.2821 5.2821 5.3844 5.3844 5.5621 5.5621 5.7165 5.7165 10.6159 10.6159 11.2053 11.2053 11.8409 11.8409 12.5923 12.5923 12.9082 12.9082 13.0836 13.0836 15.0001 15.0001 15.9194 15.9194 16.0147 16.0147 16.3400 16.3400 16.8200 16.8200 k = 0.3958 0.3958 0.1794 ( 3144 PWs) bands (ev): -48.0045 -48.0045 -48.0026 -48.0026 -22.3983 -22.3983 -22.3910 -22.3910 -14.8204 -14.8204 -14.7968 -14.7968 -14.6553 -14.6553 -14.6196 -14.6196 3.9597 3.9597 3.9835 3.9835 4.0539 4.0539 4.1311 4.1311 5.0401 5.0401 5.1508 5.1508 5.2682 5.2682 5.3847 5.3847 5.5408 5.5408 5.7105 5.7105 10.4687 10.4687 11.1835 11.1835 11.8739 11.8739 12.5612 12.5612 12.9641 12.9641 13.1142 13.1142 14.9385 14.9385 15.8980 15.8980 15.9877 15.9877 16.2891 16.2891 16.8298 16.8298 k = 0.3889 0.3889 0.1794 ( 3148 PWs) bands (ev): -48.0053 -48.0053 -48.0032 -48.0032 -22.3967 -22.3967 -22.3884 -22.3884 -14.8152 -14.8152 -14.7899 -14.7899 -14.6554 -14.6554 -14.6163 -14.6163 3.9663 3.9663 3.9901 3.9901 4.0645 4.0645 4.1460 4.1460 5.0327 5.0327 5.1497 5.1497 5.2537 5.2537 5.3851 5.3851 5.5190 5.5190 5.7041 5.7041 10.3176 10.3176 11.1566 11.1566 11.9130 11.9130 12.5292 12.5292 13.0230 13.0230 13.1467 13.1467 14.8789 14.8789 15.8510 15.8510 15.9805 15.9805 16.2226 16.2226 16.8508 16.8508 k = 0.3819 0.3819 0.1794 ( 3156 PWs) bands (ev): -48.0062 -48.0062 -48.0038 -48.0038 -22.3951 -22.3951 -22.3858 -22.3858 -14.8097 -14.8097 -14.7827 -14.7827 -14.6555 -14.6555 -14.6129 -14.6129 3.9735 3.9735 3.9973 3.9973 4.0756 4.0756 4.1614 4.1614 5.0252 5.0252 5.1475 5.1475 5.2388 5.2388 5.3854 5.3854 5.4970 5.4970 5.6973 5.6973 10.1643 10.1643 11.1243 11.1243 11.9567 11.9567 12.4968 12.4968 13.0845 13.0845 13.1810 13.1810 14.8235 14.8235 15.7879 15.7879 15.9775 15.9775 16.1558 16.1558 16.8723 16.8723 k = 0.3750 0.3750 0.1794 ( 3156 PWs) bands (ev): -48.0071 -48.0071 -48.0044 -48.0044 -22.3933 -22.3933 -22.3829 -22.3829 -14.8039 -14.8039 -14.7751 -14.7751 -14.6555 -14.6555 -14.6093 -14.6093 3.9810 3.9810 4.0050 4.0050 4.0870 4.0870 4.1770 4.1770 5.0176 5.0176 5.1439 5.1439 5.2243 5.2243 5.3858 5.3858 5.4749 5.4749 5.6905 5.6905 10.0098 10.0098 11.0860 11.0860 12.0039 12.0039 12.4641 12.4641 13.1484 13.1484 13.2169 13.2169 14.7740 14.7740 15.7163 15.7163 15.9556 15.9556 16.1091 16.1091 16.8885 16.8885 k = 0.3681 0.3681 0.1794 ( 3156 PWs) bands (ev): -48.0080 -48.0080 -48.0051 -48.0051 -22.3914 -22.3914 -22.3799 -22.3799 -14.7978 -14.7978 -14.7673 -14.7673 -14.6554 -14.6554 -14.6055 -14.6055 3.9887 3.9887 4.0133 4.0133 4.0988 4.0988 4.1928 4.1928 5.0101 5.0101 5.1380 5.1380 5.2107 5.2107 5.3863 5.3863 5.4530 5.4530 5.6834 5.6834 9.8550 9.8550 11.0414 11.0414 12.0535 12.0535 12.4315 12.4315 13.2144 13.2144 13.2545 13.2545 14.7317 14.7317 15.6390 15.6390 15.9008 15.9008 16.0960 16.0960 16.8964 16.8964 k = 0.3611 0.3611 0.1794 ( 3154 PWs) bands (ev): -48.0090 -48.0090 -48.0058 -48.0058 -22.3894 -22.3894 -22.3768 -22.3768 -14.7914 -14.7914 -14.7592 -14.7592 -14.6552 -14.6552 -14.6015 -14.6015 3.9966 3.9966 4.0222 4.0222 4.1108 4.1108 4.2086 4.2086 5.0027 5.0027 5.1290 5.1290 5.1991 5.1991 5.3868 5.3868 5.4313 5.4313 5.6762 5.6762 9.7004 9.7004 10.9903 10.9903 12.1044 12.1044 12.3994 12.3994 13.2822 13.2822 13.2936 13.2936 14.6975 14.6975 15.5574 15.5574 15.8270 15.8270 16.1019 16.1019 16.8945 16.8945 k = 0.3542 0.3542 0.1794 ( 3158 PWs) bands (ev): -48.0100 -48.0100 -48.0065 -48.0065 -22.3875 -22.3875 -22.3736 -22.3736 -14.7849 -14.7849 -14.7509 -14.7509 -14.6548 -14.6548 -14.5974 -14.5974 4.0046 4.0046 4.0318 4.0318 4.1228 4.1228 4.2243 4.2243 4.9954 4.9954 5.1161 5.1161 5.1901 5.1901 5.3872 5.3872 5.4101 5.4101 5.6687 5.6687 9.5466 9.5466 10.9326 10.9326 12.1552 12.1552 12.3687 12.3687 13.3339 13.3339 13.3516 13.3516 14.6720 14.6720 15.4729 15.4729 15.7473 15.7473 16.1132 16.1132 16.8822 16.8822 k = 0.3472 0.3472 0.1794 ( 3164 PWs) bands (ev): -48.0111 -48.0111 -48.0072 -48.0072 -22.3854 -22.3854 -22.3703 -22.3703 -14.7781 -14.7781 -14.7424 -14.7424 -14.6542 -14.6542 -14.5932 -14.5932 4.0126 4.0126 4.0419 4.0419 4.1352 4.1352 4.2399 4.2399 4.9882 4.9882 5.0997 5.0997 5.1834 5.1834 5.3853 5.3853 5.3918 5.3918 5.6611 5.6611 9.3938 9.3938 10.8682 10.8682 12.2027 12.2027 12.3418 12.3418 13.3757 13.3757 13.4220 13.4220 14.6557 14.6557 15.3866 15.3866 15.6662 15.6662 16.1242 16.1242 16.8594 16.8594 k = 0.3403 0.3403 0.1794 ( 3164 PWs) bands (ev): -48.0122 -48.0122 -48.0080 -48.0080 -22.3832 -22.3832 -22.3669 -22.3669 -14.7711 -14.7711 -14.7338 -14.7338 -14.6534 -14.6534 -14.5888 -14.5888 4.0205 4.0205 4.0528 4.0528 4.1476 4.1476 4.2553 4.2553 4.9813 4.9813 5.0806 5.0806 5.1784 5.1784 5.3681 5.3681 5.3897 5.3897 5.6534 5.6534 9.2425 9.2425 10.7972 10.7972 12.2364 12.2364 12.3284 12.3284 13.4185 13.4185 13.4933 13.4933 14.6486 14.6486 15.2997 15.2997 15.5854 15.5854 16.1325 16.1325 16.8268 16.8268 k = 0.3333 0.3333 0.1794 ( 3168 PWs) bands (ev): -48.0133 -48.0133 -48.0088 -48.0088 -22.3811 -22.3811 -22.3633 -22.3633 -14.7640 -14.7640 -14.7251 -14.7251 -14.6522 -14.6522 -14.5842 -14.5842 4.0283 4.0283 4.0641 4.0641 4.1600 4.1600 4.2702 4.2702 4.9747 4.9747 5.0595 5.0595 5.1742 5.1742 5.3490 5.3490 5.3904 5.3904 5.6457 5.6457 9.0928 9.0928 10.7200 10.7200 12.2364 12.2364 12.3477 12.3477 13.4621 13.4621 13.5650 13.5650 14.6505 14.6505 15.2135 15.2135 15.5056 15.5056 16.1363 16.1363 16.7853 16.7853 k = 0.3264 0.3264 0.1794 ( 3164 PWs) bands (ev): -48.0144 -48.0144 -48.0096 -48.0096 -22.3788 -22.3788 -22.3596 -22.3596 -14.7568 -14.7568 -14.7165 -14.7165 -14.6505 -14.6505 -14.5794 -14.5794 4.0361 4.0361 4.0759 4.0759 4.1723 4.1723 4.2847 4.2847 4.9687 4.9687 5.0373 5.0373 5.1704 5.1704 5.3308 5.3308 5.3915 5.3915 5.6379 5.6379 8.9450 8.9450 10.6368 10.6368 12.2145 12.2145 12.3869 12.3869 13.5064 13.5064 13.6368 13.6368 14.6610 14.6610 15.1291 15.1291 15.4275 15.4275 16.1349 16.1349 16.7365 16.7365 k = 0.3194 0.3194 0.1794 ( 3168 PWs) bands (ev): -48.0156 -48.0156 -48.0104 -48.0104 -22.3765 -22.3765 -22.3559 -22.3559 -14.7495 -14.7495 -14.7081 -14.7081 -14.6482 -14.6482 -14.5746 -14.5746 4.0437 4.0437 4.0881 4.0881 4.1845 4.1845 4.2984 4.2984 4.9631 4.9631 5.0142 5.0142 5.1662 5.1662 5.3139 5.3139 5.3926 5.3926 5.6301 5.6301 8.7992 8.7992 10.5481 10.5481 12.1870 12.1870 12.4288 12.4288 13.5509 13.5509 13.7082 13.7082 14.6794 14.6794 15.0478 15.0478 15.3515 15.3515 16.1277 16.1277 16.6825 16.6825 k = 0.3125 0.3125 0.1794 ( 3172 PWs) bands (ev): -48.0168 -48.0168 -48.0113 -48.0113 -22.3741 -22.3741 -22.3521 -22.3521 -14.7423 -14.7423 -14.7000 -14.7000 -14.6452 -14.6452 -14.5696 -14.5696 4.0512 4.0512 4.1005 4.1005 4.1964 4.1964 4.3114 4.3114 4.9581 4.9581 4.9908 4.9908 5.1614 5.1614 5.2983 5.2983 5.3939 5.3939 5.6222 5.6222 8.6556 8.6556 10.4544 10.4544 12.1583 12.1583 12.4675 12.4675 13.5954 13.5954 13.7788 13.7788 14.7049 14.7049 14.9707 14.9707 15.2784 15.2784 16.1147 16.1147 16.6254 16.6254 k = 0.3056 0.3056 0.1794 ( 3174 PWs) bands (ev): -48.0180 -48.0180 -48.0121 -48.0121 -22.3717 -22.3717 -22.3483 -22.3483 -14.7351 -14.7351 -14.6924 -14.6924 -14.6411 -14.6411 -14.5645 -14.5645 4.0585 4.0585 4.1131 4.1131 4.2080 4.2080 4.3236 4.3236 4.9538 4.9538 4.9674 4.9674 5.1559 5.1559 5.2845 5.2845 5.3955 5.3955 5.6144 5.6144 8.5143 8.5143 10.3562 10.3562 12.1296 12.1296 12.5007 12.5007 13.6393 13.6393 13.8480 13.8480 14.7358 14.7358 14.8992 14.8992 15.2095 15.2095 16.0966 16.0966 16.5674 16.5674 k = 0.2986 0.2986 0.1794 ( 3170 PWs) bands (ev): -48.0193 -48.0193 -48.0130 -48.0130 -22.3693 -22.3693 -22.3442 -22.3442 -14.7282 -14.7282 -14.6853 -14.6853 -14.6359 -14.6359 -14.5592 -14.5592 4.0656 4.0656 4.1258 4.1258 4.2193 4.2193 4.3346 4.3346 4.9432 4.9432 4.9514 4.9514 5.1493 5.1493 5.2726 5.2726 5.3972 5.3972 5.6066 5.6066 8.3754 8.3754 10.2541 10.2541 12.1015 12.1015 12.5264 12.5264 13.6820 13.6820 13.9152 13.9152 14.7697 14.7697 14.8346 14.8346 15.1468 15.1468 16.0740 16.0740 16.5108 16.5108 k = 0.2917 0.2917 0.1794 ( 3178 PWs) bands (ev): -48.0205 -48.0205 -48.0139 -48.0139 -22.3668 -22.3668 -22.3403 -22.3403 -14.7216 -14.7216 -14.6788 -14.6788 -14.6295 -14.6295 -14.5538 -14.5538 4.0723 4.0723 4.1384 4.1384 4.2301 4.2301 4.3445 4.3445 4.9207 4.9207 4.9484 4.9484 5.1415 5.1415 5.2625 5.2625 5.3990 5.3990 5.5989 5.5989 8.2391 8.2391 10.1485 10.1485 12.0741 12.0741 12.5431 12.5431 13.7226 13.7226 13.9798 13.9798 14.7751 14.7751 14.8054 14.8054 15.0944 15.0944 16.0484 16.0484 16.4574 16.4574 k = 0.2847 0.2847 0.1794 ( 3178 PWs) bands (ev): -48.0218 -48.0218 -48.0148 -48.0148 -22.3642 -22.3642 -22.3363 -22.3363 -14.7155 -14.7155 -14.6726 -14.6726 -14.6219 -14.6219 -14.5483 -14.5483 4.0789 4.0789 4.1508 4.1508 4.2404 4.2404 4.3530 4.3530 4.8987 4.8987 4.9468 4.9468 5.1328 5.1328 5.2543 5.2543 5.4011 5.4011 5.5913 5.5913 8.1054 8.1054 10.0401 10.0401 12.0476 12.0476 12.5494 12.5494 13.7601 13.7601 14.0411 14.0411 14.7274 14.7274 14.8290 14.8290 15.0601 15.0601 16.0212 16.0212 16.4092 16.4092 k = 0.2778 0.2778 0.1794 ( 3178 PWs) bands (ev): -48.0231 -48.0231 -48.0157 -48.0157 -22.3616 -22.3616 -22.3322 -22.3322 -14.7101 -14.7101 -14.6666 -14.6666 -14.6134 -14.6134 -14.5426 -14.5426 4.0849 4.0849 4.1628 4.1628 4.2501 4.2501 4.3602 4.3602 4.8777 4.8777 4.9460 4.9460 5.1233 5.1233 5.2478 5.2478 5.4034 5.4034 5.5839 5.5839 7.9745 7.9745 9.9295 9.9295 12.0220 12.0220 12.5443 12.5443 13.7932 13.7932 14.0983 14.0983 14.6877 14.6877 14.8343 14.8343 15.0543 15.0543 15.9942 15.9942 16.3677 16.3677 k = 0.2708 0.2708 0.1794 ( 3182 PWs) bands (ev): -48.0244 -48.0244 -48.0166 -48.0166 -22.3590 -22.3590 -22.3281 -22.3281 -14.7054 -14.7054 -14.6603 -14.6603 -14.6040 -14.6040 -14.5368 -14.5368 4.0905 4.0905 4.1743 4.1743 4.2592 4.2592 4.3659 4.3659 4.8580 4.8580 4.9461 4.9461 5.1135 5.1135 5.2427 5.2427 5.4058 5.4058 5.5767 5.5767 7.8463 7.8463 9.8169 9.8169 11.9973 11.9973 12.5274 12.5274 13.8202 13.8202 14.1508 14.1508 14.6569 14.6569 14.8203 14.8203 15.0770 15.0770 15.9696 15.9696 16.3344 16.3344 k = 0.2639 0.2639 0.1794 ( 3188 PWs) bands (ev): -48.0257 -48.0257 -48.0175 -48.0175 -22.3565 -22.3565 -22.3239 -22.3239 -14.7016 -14.7016 -14.6538 -14.6538 -14.5941 -14.5941 -14.5308 -14.5308 4.0955 4.0955 4.1851 4.1851 4.2677 4.2677 4.3700 4.3700 4.8399 4.8399 4.9469 4.9469 5.1036 5.1036 5.2387 5.2387 5.4084 5.4084 5.5697 5.5697 7.7211 7.7211 9.7030 9.7030 11.9736 11.9736 12.4986 12.4986 13.8394 13.8394 14.1976 14.1976 14.6346 14.6346 14.7992 14.7992 15.1153 15.1153 15.9497 15.9497 16.3107 16.3107 k = 0.2569 0.2569 0.1794 ( 3184 PWs) bands (ev): -48.0270 -48.0270 -48.0184 -48.0184 -22.3538 -22.3538 -22.3197 -22.3197 -14.6984 -14.6984 -14.6468 -14.6468 -14.5837 -14.5837 -14.5247 -14.5247 4.0999 4.0999 4.1950 4.1950 4.2754 4.2754 4.3728 4.3728 4.8238 4.8238 4.9482 4.9482 5.0944 5.0944 5.2357 5.2357 5.4112 5.4112 5.5632 5.5632 7.5988 7.5988 9.5882 9.5882 11.9507 11.9507 12.4585 12.4585 13.8491 13.8491 14.2382 14.2382 14.6198 14.6198 14.7813 14.7813 15.1581 15.1581 15.9375 15.9375 16.2978 16.2978 k = 0.2500 0.2500 0.1794 ( 3180 PWs) bands (ev): -48.0283 -48.0283 -48.0193 -48.0193 -22.3511 -22.3511 -22.3155 -22.3155 -14.6959 -14.6959 -14.6393 -14.6393 -14.5731 -14.5731 -14.5184 -14.5184 4.1035 4.1035 4.2039 4.2039 4.2825 4.2825 4.3742 4.3742 4.8099 4.8099 4.9497 4.9497 5.0862 5.0862 5.2332 5.2332 5.4140 5.4140 5.5571 5.5571 7.4796 7.4796 9.4729 9.4729 11.9285 11.9285 12.4081 12.4081 13.8479 13.8479 14.2720 14.2720 14.6112 14.6112 14.7715 14.7715 15.1985 15.1985 15.9361 15.9361 16.2965 16.2965 k = 0.2431 0.2431 0.1794 ( 3184 PWs) bands (ev): -48.0296 -48.0296 -48.0202 -48.0202 -22.3485 -22.3485 -22.3113 -22.3113 -14.6939 -14.6939 -14.6316 -14.6316 -14.5623 -14.5623 -14.5119 -14.5119 4.1061 4.1061 4.2115 4.2115 4.2887 4.2887 4.3741 4.3741 4.7984 4.7984 4.9509 4.9509 5.0796 5.0796 5.2312 5.2312 5.4168 5.4168 5.5515 5.5515 7.3635 7.3635 9.3574 9.3574 11.9069 11.9069 12.3486 12.3486 13.8355 13.8355 14.2987 14.2987 14.6068 14.6068 14.7722 14.7722 15.2317 15.2317 15.9484 15.9484 16.3076 16.3076 k = 0.2361 0.2361 0.1794 ( 3196 PWs) bands (ev): -48.0309 -48.0309 -48.0212 -48.0212 -22.3461 -22.3461 -22.3070 -22.3070 -14.6925 -14.6925 -14.6237 -14.6237 -14.5514 -14.5514 -14.5053 -14.5053 4.1075 4.1075 4.2176 4.2176 4.2941 4.2941 4.3729 4.3729 4.7894 4.7894 4.9513 4.9513 5.0750 5.0750 5.2293 5.2293 5.4195 5.4195 5.5464 5.5464 7.2506 7.2506 9.2421 9.2421 11.8856 11.8856 12.2817 12.2817 13.8125 13.8125 14.3179 14.3179 14.6046 14.6046 14.7838 14.7838 15.2553 15.2553 15.9764 15.9764 16.3314 16.3314 k = 0.2292 0.2292 0.1794 ( 3188 PWs) bands (ev): -48.0322 -48.0322 -48.0221 -48.0221 -22.3434 -22.3434 -22.3028 -22.3028 -14.6912 -14.6912 -14.6155 -14.6155 -14.5405 -14.5405 -14.4984 -14.4984 4.1079 4.1079 4.2224 4.2224 4.2988 4.2988 4.3710 4.3710 4.7833 4.7833 4.9508 4.9508 5.0729 5.0729 5.2277 5.2277 5.4222 5.4222 5.5423 5.5423 7.1409 7.1409 9.1274 9.1274 11.8640 11.8640 12.2093 12.2093 13.7800 13.7800 14.3297 14.3297 14.6029 14.6029 14.8054 14.8054 15.2686 15.2686 16.0203 16.0203 16.3679 16.3679 k = 0.2222 0.2222 0.1794 ( 3192 PWs) bands (ev): -48.0335 -48.0335 -48.0230 -48.0230 -22.3408 -22.3408 -22.2986 -22.2986 -14.6902 -14.6902 -14.6073 -14.6073 -14.5298 -14.5298 -14.4912 -14.4912 4.1068 4.1068 4.2255 4.2255 4.3025 4.3025 4.3684 4.3684 4.7799 4.7799 4.9489 4.9489 5.0734 5.0734 5.2263 5.2263 5.4244 5.4244 5.5390 5.5390 7.0345 7.0345 9.0134 9.0134 11.8413 11.8413 12.1336 12.1336 13.7400 13.7400 14.3339 14.3339 14.6008 14.6008 14.8352 14.8352 15.2732 15.2732 16.0785 16.0785 16.4166 16.4166 k = 0.2153 0.2153 0.1794 ( 3184 PWs) bands (ev): -48.0348 -48.0348 -48.0239 -48.0239 -22.3381 -22.3381 -22.2943 -22.2943 -14.6894 -14.6894 -14.5990 -14.5990 -14.5192 -14.5192 -14.4836 -14.4836 4.1044 4.1044 4.2270 4.2270 4.3055 4.3055 4.3657 4.3657 4.7795 4.7795 4.9458 4.9458 5.0763 5.0763 5.2249 5.2249 5.4262 5.4262 5.5368 5.5368 6.9316 6.9316 8.9005 8.9005 11.8156 11.8156 12.0576 12.0576 13.6942 13.6942 14.3310 14.3310 14.5976 14.5976 14.8708 14.8708 15.2721 15.2721 16.1484 16.1484 16.4768 16.4768 k = 0.2083 0.2083 0.1794 ( 3184 PWs) bands (ev): -48.0361 -48.0361 -48.0248 -48.0248 -22.3355 -22.3355 -22.2902 -22.2902 -14.6887 -14.6887 -14.5908 -14.5908 -14.5090 -14.5090 -14.4758 -14.4758 4.1005 4.1005 4.2267 4.2267 4.3074 4.3074 4.3631 4.3631 4.7816 4.7816 4.9417 4.9417 5.0812 5.0812 5.2236 5.2236 5.4274 5.4274 5.5357 5.5357 6.8321 6.8321 8.7889 8.7889 11.7835 11.7835 11.9859 11.9859 13.6442 13.6442 14.3211 14.3211 14.5933 14.5933 14.9095 14.9095 15.2688 15.2688 16.2272 16.2272 16.5472 16.5472 k = 0.2014 0.2014 0.1794 ( 3188 PWs) bands (ev): -48.0373 -48.0373 -48.0257 -48.0257 -22.3330 -22.3330 -22.2862 -22.2862 -14.6882 -14.6882 -14.5827 -14.5827 -14.4992 -14.4992 -14.4675 -14.4675 4.0950 4.0950 4.2245 4.2245 4.3086 4.3086 4.3607 4.3607 4.7862 4.7862 4.9369 4.9369 5.0875 5.0875 5.2224 5.2224 5.4278 5.4278 5.5358 5.5358 6.7361 6.7361 8.6789 8.6789 11.7391 11.7391 11.9251 11.9251 13.5913 13.5913 14.3050 14.3050 14.5880 14.5880 14.9479 14.9479 15.2674 15.2674 16.3120 16.3120 16.6263 16.6263 k = 0.1944 0.1944 0.1794 ( 3188 PWs) bands (ev): -48.0386 -48.0386 -48.0266 -48.0266 -22.3306 -22.3306 -22.2820 -22.2820 -14.6878 -14.6878 -14.5747 -14.5747 -14.4899 -14.4899 -14.4587 -14.4587 4.0881 4.0881 4.2206 4.2206 4.3092 4.3092 4.3590 4.3590 4.7931 4.7931 4.9318 4.9318 5.0946 5.0946 5.2214 5.2214 5.4276 5.4276 5.5373 5.5373 6.6437 6.6437 8.5707 8.5707 11.6784 11.6784 11.8802 11.8802 13.5367 13.5367 14.2832 14.2832 14.5820 14.5820 14.9823 14.9823 15.2723 15.2723 16.4005 16.4005 16.7103 16.7103 k = 0.1875 0.1875 0.1794 ( 3188 PWs) bands (ev): -48.0398 -48.0398 -48.0274 -48.0274 -22.3281 -22.3281 -22.2780 -22.2780 -14.6874 -14.6874 -14.5668 -14.5668 -14.4811 -14.4811 -14.4495 -14.4495 4.0799 4.0799 4.2149 4.2149 4.3095 4.3095 4.3576 4.3576 4.8021 4.8021 4.9266 4.9266 5.1020 5.1020 5.2209 5.2209 5.4266 5.4266 5.5399 5.5399 6.5550 6.5550 8.4644 8.4644 11.6040 11.6040 11.8492 11.8492 13.4811 13.4811 14.2566 14.2566 14.5755 14.5755 15.0085 15.0085 15.2878 15.2878 16.4905 16.4905 16.7762 16.7762 k = 0.1806 0.1806 0.1794 ( 3188 PWs) bands (ev): -48.0410 -48.0410 -48.0283 -48.0283 -22.3257 -22.3257 -22.2741 -22.2741 -14.6871 -14.6871 -14.5591 -14.5591 -14.4727 -14.4727 -14.4399 -14.4399 4.0705 4.0705 4.2074 4.2074 4.3098 4.3098 4.3567 4.3567 4.8127 4.8127 4.9216 4.9216 5.1090 5.1090 5.2210 5.2210 5.4251 5.4251 5.5436 5.5436 6.4701 6.4701 8.3604 8.3604 11.5217 11.5217 11.8270 11.8270 13.4252 13.4252 14.2260 14.2260 14.5688 14.5688 15.0242 15.0242 15.3165 15.3165 16.5798 16.5798 16.8313 16.8313 k = 0.1736 0.1736 0.1794 ( 3192 PWs) bands (ev): -48.0422 -48.0422 -48.0291 -48.0291 -22.3233 -22.3233 -22.2703 -22.2703 -14.6868 -14.6868 -14.5517 -14.5517 -14.4647 -14.4647 -14.4302 -14.4302 4.0599 4.0599 4.1985 4.1985 4.3103 4.3103 4.3560 4.3560 4.8249 4.8249 4.9168 4.9168 5.1150 5.1150 5.2221 5.2221 5.4229 5.4229 5.5480 5.5480 6.3891 6.3891 8.2586 8.2586 11.4358 11.4358 11.8098 11.8098 13.3695 13.3695 14.1923 14.1923 14.5622 14.5622 15.0305 15.0305 15.3575 15.3575 16.6666 16.6666 16.8919 16.8919 k = 0.1667 0.1667 0.1794 ( 3198 PWs) bands (ev): -48.0433 -48.0433 -48.0299 -48.0299 -22.3210 -22.3210 -22.2666 -22.2666 -14.6865 -14.6865 -14.5445 -14.5445 -14.4571 -14.4571 -14.4203 -14.4203 4.0484 4.0484 4.1883 4.1883 4.3110 4.3110 4.3552 4.3552 4.8383 4.8383 4.9124 4.9124 5.1193 5.1193 5.2245 5.2245 5.4205 5.4205 5.5532 5.5532 6.3120 6.3120 8.1594 8.1594 11.3485 11.3485 11.7956 11.7956 13.3144 13.3144 14.1561 14.1561 14.5559 14.5559 15.0302 15.0302 15.4076 15.4076 16.7491 16.7491 16.9580 16.9580 k = 0.1597 0.1597 0.1794 ( 3190 PWs) bands (ev): -48.0445 -48.0445 -48.0307 -48.0307 -22.3187 -22.3187 -22.2628 -22.2628 -14.6863 -14.6863 -14.5375 -14.5375 -14.4496 -14.4496 -14.4102 -14.4102 4.0364 4.0364 4.1771 4.1771 4.3121 4.3121 4.3545 4.3545 4.8526 4.8526 4.9087 4.9087 5.1218 5.1218 5.2285 5.2285 5.4180 5.4180 5.5589 5.5589 6.2390 6.2390 8.0628 8.0628 11.2615 11.2615 11.7834 11.7834 13.2603 13.2603 14.1182 14.1182 14.5503 14.5503 15.0265 15.0265 15.4639 15.4639 16.8266 16.8266 17.0266 17.0266 k = 0.1528 0.1528 0.1794 ( 3198 PWs) bands (ev): -48.0456 -48.0456 -48.0315 -48.0315 -22.3166 -22.3166 -22.2593 -22.2593 -14.6861 -14.6861 -14.5308 -14.5308 -14.4425 -14.4425 -14.4004 -14.4004 4.0238 4.0238 4.1652 4.1652 4.3134 4.3134 4.3535 4.3535 4.8674 4.8674 4.9054 4.9054 5.1221 5.1221 5.2339 5.2339 5.4151 5.4151 5.5646 5.5646 6.1701 6.1701 7.9691 7.9691 11.1755 11.1755 11.7726 11.7726 13.2074 13.2074 14.0792 14.0792 14.5454 14.5454 15.0214 15.0214 15.5239 15.5239 16.8987 16.8987 17.0884 17.0884 k = 0.1458 0.1458 0.1794 ( 3206 PWs) bands (ev): -48.0466 -48.0466 -48.0322 -48.0322 -22.3145 -22.3145 -22.2559 -22.2559 -14.6859 -14.6859 -14.5244 -14.5244 -14.4356 -14.4356 -14.3906 -14.3906 4.0108 4.0108 4.1528 4.1528 4.3149 4.3149 4.3524 4.3524 4.8823 4.8823 4.9029 4.9029 5.1203 5.1203 5.2407 5.2407 5.4122 5.4122 5.5704 5.5704 6.1056 6.1056 7.8783 7.8783 11.0911 11.0911 11.7630 11.7630 13.1559 13.1559 14.0396 14.0396 14.5415 14.5415 15.0161 15.0161 15.5861 15.5861 16.9660 16.9660 17.1228 17.1228 k = 0.1389 0.1389 0.1794 ( 3210 PWs) bands (ev): -48.0477 -48.0477 -48.0330 -48.0330 -22.3124 -22.3124 -22.2526 -22.2526 -14.6857 -14.6857 -14.5183 -14.5183 -14.4288 -14.4288 -14.3810 -14.3810 3.9977 3.9977 4.1400 4.1400 4.3165 4.3165 4.3511 4.3511 4.8949 4.8949 4.9036 4.9036 5.1169 5.1169 5.2486 5.2486 5.4093 5.4093 5.5758 5.5758 6.0455 6.0455 7.7907 7.7907 11.0088 11.0088 11.7542 11.7542 13.1061 13.1061 13.9998 13.9998 14.5386 14.5386 15.0116 15.0116 15.6495 15.6495 17.0279 17.0279 17.1234 17.1234 k = 0.1319 0.1319 0.1794 ( 3202 PWs) bands (ev): -48.0486 -48.0486 -48.0337 -48.0337 -22.3103 -22.3103 -22.2493 -22.2493 -14.6854 -14.6854 -14.5125 -14.5125 -14.4222 -14.4222 -14.3716 -14.3716 3.9847 3.9847 4.1272 4.1272 4.3183 4.3183 4.3497 4.3497 4.8968 4.8968 4.9153 4.9153 5.1123 5.1123 5.2573 5.2573 5.4067 5.4067 5.5809 5.5809 5.9902 5.9902 7.7063 7.7063 10.9291 10.9291 11.7463 11.7463 13.0580 13.0580 13.9604 13.9604 14.5368 14.5368 15.0083 15.0083 15.7133 15.7133 17.0713 17.0713 17.1183 17.1183 k = 0.1250 0.1250 0.1794 ( 3206 PWs) bands (ev): -48.0496 -48.0496 -48.0343 -48.0343 -22.3085 -22.3085 -22.2461 -22.2461 -14.6853 -14.6853 -14.5070 -14.5070 -14.4158 -14.4158 -14.3624 -14.3624 3.9718 3.9718 4.1143 4.1143 4.3200 4.3200 4.3481 4.3481 4.8960 4.8960 4.9295 4.9295 5.1069 5.1069 5.2662 5.2662 5.4041 5.4041 5.5849 5.5849 5.9396 5.9396 7.6254 7.6254 10.8521 10.8521 11.7390 11.7390 13.0118 13.0118 13.9216 13.9216 14.5361 14.5361 15.0063 15.0063 15.7768 15.7768 17.0544 17.0544 17.1598 17.1598 k = 0.1181 0.1181 0.1794 ( 3202 PWs) bands (ev): -48.0505 -48.0505 -48.0350 -48.0350 -22.3066 -22.3066 -22.2431 -22.2431 -14.6851 -14.6851 -14.5017 -14.5017 -14.4096 -14.4096 -14.3536 -14.3536 3.9592 3.9592 4.1015 4.1015 4.3218 4.3218 4.3465 4.3465 4.8954 4.8954 4.9430 4.9430 5.1015 5.1015 5.2753 5.2753 5.4017 5.4017 5.5876 5.5876 5.8943 5.8943 7.5479 7.5479 10.7781 10.7781 11.7323 11.7323 12.9676 12.9676 13.8837 13.8837 14.5367 14.5367 15.0059 15.0059 15.8395 15.8395 17.0171 17.0171 17.2131 17.2131 k = 0.1111 0.1111 0.1794 ( 3202 PWs) bands (ev): -48.0514 -48.0514 -48.0356 -48.0356 -22.3048 -22.3048 -22.2403 -22.2403 -14.6849 -14.6849 -14.4968 -14.4968 -14.4036 -14.4036 -14.3452 -14.3452 3.9469 3.9469 4.0891 4.0891 4.3234 4.3234 4.3447 4.3447 4.8950 4.8950 4.9547 4.9547 5.0968 5.0968 5.2842 5.2842 5.3995 5.3995 5.5885 5.5885 5.8546 5.8546 7.4741 7.4741 10.7075 10.7075 11.7261 11.7261 12.9255 12.9255 13.8470 13.8470 14.5384 14.5384 15.0071 15.0071 15.9010 15.9010 16.9749 16.9749 17.2653 17.2653 k = 0.1042 0.1042 0.1794 ( 3206 PWs) bands (ev): -48.0522 -48.0522 -48.0362 -48.0362 -22.3032 -22.3032 -22.2376 -22.2376 -14.6848 -14.6848 -14.4922 -14.4922 -14.3979 -14.3979 -14.3371 -14.3371 3.9349 3.9349 4.0769 4.0769 4.3249 4.3249 4.3429 4.3429 4.8950 4.8950 4.9637 4.9637 5.0937 5.0937 5.2928 5.2928 5.3974 5.3974 5.5869 5.5869 5.8209 5.8209 7.4041 7.4041 10.6402 10.6402 11.7204 11.7204 12.8856 12.8856 13.8117 13.8117 14.5411 14.5411 15.0097 15.0097 15.9608 15.9608 16.9307 16.9307 17.3151 17.3151 k = 0.0972 0.0972 0.1794 ( 3208 PWs) bands (ev): -48.0530 -48.0530 -48.0367 -48.0367 -22.3016 -22.3016 -22.2350 -22.2350 -14.6846 -14.6846 -14.4879 -14.4879 -14.3925 -14.3925 -14.3294 -14.3294 3.9235 3.9235 4.0652 4.0652 4.3263 4.3263 4.3411 4.3411 4.8954 4.8954 4.9692 4.9692 5.0933 5.0933 5.3010 5.3010 5.3955 5.3955 5.5824 5.5824 5.7936 5.7936 7.3379 7.3379 10.5766 10.5766 11.7152 11.7152 12.8480 12.8480 13.7780 13.7780 14.5449 14.5449 15.0137 15.0137 16.0186 16.0186 16.8861 16.8861 17.3620 17.3620 k = 0.0903 0.0903 0.1794 ( 3204 PWs) bands (ev): -48.0537 -48.0537 -48.0372 -48.0372 -22.3001 -22.3001 -22.2325 -22.2325 -14.6845 -14.6845 -14.4838 -14.4838 -14.3872 -14.3872 -14.3220 -14.3220 3.9126 3.9126 4.0541 4.0541 4.3275 4.3275 4.3394 4.3394 4.8960 4.8960 4.9706 4.9706 5.0962 5.0962 5.3087 5.3087 5.3941 5.3941 5.5747 5.5747 5.7727 5.7727 7.2757 7.2757 10.5167 10.5167 11.7104 11.7104 12.8127 12.8127 13.7461 13.7461 14.5496 14.5496 15.0189 15.0189 16.0738 16.0738 16.8419 16.8419 17.4056 17.4056 k = 0.0833 0.0833 0.1794 ( 3200 PWs) bands (ev): -48.0544 -48.0544 -48.0377 -48.0377 -22.2986 -22.2986 -22.2303 -22.2303 -14.6843 -14.6843 -14.4801 -14.4801 -14.3823 -14.3823 -14.3152 -14.3152 3.9025 3.9025 4.0435 4.0435 4.3284 4.3284 4.3378 4.3378 4.8969 4.8969 4.9683 4.9683 5.1022 5.1022 5.3158 5.3158 5.3928 5.3928 5.5640 5.5640 5.7580 5.7580 7.2177 7.2177 10.4608 10.4608 11.7060 11.7060 12.7798 12.7798 13.7160 13.7160 14.5551 14.5551 15.0251 15.0251 16.1262 16.1262 16.7989 16.7989 17.4455 17.4455 k = 0.0764 0.0764 0.1794 ( 3196 PWs) bands (ev): -48.0550 -48.0550 -48.0381 -48.0381 -22.2972 -22.2972 -22.2282 -22.2282 -14.6841 -14.6841 -14.4768 -14.4768 -14.3776 -14.3776 -14.3089 -14.3089 3.8929 3.8929 4.0335 4.0335 4.3291 4.3291 4.3366 4.3366 4.8980 4.8980 4.9628 4.9628 5.1109 5.1109 5.3221 5.3221 5.3918 5.3918 5.5509 5.5509 5.7484 5.7484 7.1638 7.1638 10.4089 10.4089 11.7020 11.7020 12.7493 12.7493 13.6880 13.6880 14.5611 14.5611 15.0321 15.0321 16.1753 16.1753 16.7579 16.7579 17.4816 17.4816 k = 0.0694 0.0694 0.1794 ( 3200 PWs) bands (ev): -48.0556 -48.0556 -48.0386 -48.0386 -22.2961 -22.2961 -22.2263 -22.2263 -14.6839 -14.6839 -14.4737 -14.4737 -14.3734 -14.3734 -14.3030 -14.3030 3.8839 3.8839 4.0242 4.0242 4.3292 4.3292 4.3356 4.3356 4.8992 4.8992 4.9554 4.9554 5.1211 5.1211 5.3276 5.3276 5.3909 5.3909 5.5366 5.5366 5.7425 5.7425 7.1143 7.1143 10.3612 10.3612 11.6984 11.6984 12.7213 12.7213 13.6622 13.6622 14.5677 14.5677 15.0397 15.0397 16.2206 16.2206 16.7195 16.7195 17.5135 17.5135 k = 0.0625 0.0625 0.1794 ( 3200 PWs) bands (ev): -48.0561 -48.0561 -48.0389 -48.0389 -22.2950 -22.2950 -22.2246 -22.2246 -14.6838 -14.6838 -14.4709 -14.4709 -14.3695 -14.3695 -14.2977 -14.2977 3.8758 3.8758 4.0157 4.0157 4.3287 4.3287 4.3352 4.3352 4.9005 4.9005 4.9469 4.9469 5.1322 5.1322 5.3324 5.3324 5.3903 5.3903 5.5220 5.5220 5.7394 5.7394 7.0692 7.0692 10.3176 10.3176 11.6951 11.6951 12.6959 12.6959 13.6385 13.6385 14.5745 14.5745 15.0477 15.0477 16.2615 16.2615 16.6843 16.6843 17.5410 17.5410 k = 0.0556 0.0556 0.1794 ( 3200 PWs) bands (ev): -48.0566 -48.0566 -48.0393 -48.0393 -22.2940 -22.2940 -22.2230 -22.2230 -14.6837 -14.6837 -14.4684 -14.4684 -14.3660 -14.3660 -14.2928 -14.2928 3.8685 3.8685 4.0080 4.0080 4.3279 4.3279 4.3352 4.3352 4.9018 4.9018 4.9381 4.9381 5.1435 5.1435 5.3362 5.3362 5.3900 5.3900 5.5078 5.5078 5.7381 5.7381 7.0286 7.0286 10.2785 10.2785 11.6922 11.6922 12.6731 12.6731 13.6172 13.6172 14.5814 14.5814 15.0557 15.0557 16.2975 16.2975 16.6531 16.6531 17.5639 17.5639 k = 0.0486 0.0486 0.1794 ( 3208 PWs) bands (ev): -48.0570 -48.0570 -48.0396 -48.0396 -22.2932 -22.2932 -22.2217 -22.2217 -14.6836 -14.6836 -14.4662 -14.4662 -14.3629 -14.3629 -14.2886 -14.2886 3.8619 3.8619 4.0010 4.0010 4.3268 4.3268 4.3353 4.3353 4.9031 4.9031 4.9294 4.9294 5.1545 5.1545 5.3392 5.3392 5.3896 5.3896 5.4946 5.4946 5.7378 5.7378 6.9925 6.9925 10.2437 10.2437 11.6896 11.6896 12.6528 12.6528 13.5982 13.5982 14.5882 14.5882 15.0636 15.0636 16.3278 16.3278 16.6267 16.6267 17.5822 17.5822 k = 0.0417 0.0417 0.1794 ( 3216 PWs) bands (ev): -48.0574 -48.0574 -48.0398 -48.0398 -22.2925 -22.2925 -22.2206 -22.2206 -14.6835 -14.6835 -14.4644 -14.4644 -14.3601 -14.3601 -14.2849 -14.2849 3.8560 3.8560 3.9949 3.9949 4.3259 4.3259 4.3355 4.3355 4.9044 4.9044 4.9213 4.9213 5.1648 5.1648 5.3414 5.3414 5.3895 5.3895 5.4828 5.4828 5.7381 5.7381 6.9611 6.9611 10.2135 10.2135 11.6874 11.6874 12.6352 12.6352 13.5817 13.5817 14.5946 14.5946 15.0710 15.0710 16.3520 16.3520 16.6057 16.6057 17.5961 17.5961 k = 0.0347 0.0347 0.1794 ( 3216 PWs) bands (ev): -48.0577 -48.0577 -48.0400 -48.0400 -22.2918 -22.2918 -22.2196 -22.2196 -14.6834 -14.6834 -14.4628 -14.4628 -14.3577 -14.3577 -14.2818 -14.2818 3.8511 3.8511 3.9897 3.9897 4.3250 4.3250 4.3357 4.3357 4.9056 4.9056 4.9140 4.9140 5.1743 5.1743 5.3429 5.3429 5.3895 5.3895 5.4725 5.4725 5.7388 5.7388 6.9344 6.9344 10.1877 10.1877 11.6856 11.6856 12.6203 12.6203 13.5676 13.5676 14.6005 14.6005 15.0777 15.0777 16.3695 16.3695 16.5907 16.5907 17.6060 17.6060 k = 0.0278 0.0278 0.1794 ( 3208 PWs) bands (ev): -48.0580 -48.0580 -48.0402 -48.0402 -22.2911 -22.2911 -22.2187 -22.2187 -14.6833 -14.6833 -14.4614 -14.4614 -14.3557 -14.3557 -14.2792 -14.2792 3.8472 3.8472 3.9855 3.9855 4.3242 4.3242 4.3359 4.3359 4.9065 4.9065 4.9080 4.9080 5.1828 5.1828 5.3437 5.3437 5.3897 5.3897 5.4641 5.4641 5.7396 5.7396 6.9125 6.9125 10.1666 10.1666 11.6840 11.6840 12.6080 12.6080 13.5560 13.5560 14.6056 14.6056 15.0836 15.0836 16.3805 16.3805 16.5816 16.5816 17.6127 17.6127 k = 0.0208 0.0208 0.1794 ( 3212 PWs) bands (ev): -48.0582 -48.0582 -48.0404 -48.0404 -22.2907 -22.2907 -22.2181 -22.2181 -14.6833 -14.6833 -14.4604 -14.4604 -14.3541 -14.3541 -14.2772 -14.2772 3.8440 3.8440 3.9821 3.9821 4.3235 4.3235 4.3361 4.3361 4.9027 4.9027 4.9076 4.9076 5.1896 5.1896 5.3440 5.3440 5.3898 5.3898 5.4574 5.4574 5.7404 5.7404 6.8955 6.8955 10.1502 10.1502 11.6829 11.6829 12.5985 12.5985 13.5470 13.5470 14.6097 14.6097 15.0883 15.0883 16.3863 16.3863 16.5773 16.5773 17.6168 17.6168 k = 0.0139 0.0139 0.1794 ( 3212 PWs) bands (ev): -48.0583 -48.0583 -48.0405 -48.0405 -22.2904 -22.2904 -22.2177 -22.2177 -14.6832 -14.6832 -14.4597 -14.4597 -14.3531 -14.3531 -14.2757 -14.2757 3.8418 3.8418 3.9797 3.9797 4.3231 4.3231 4.3361 4.3361 4.8991 4.8991 4.9082 4.9082 5.1948 5.1948 5.3441 5.3441 5.3899 5.3899 5.4527 5.4527 5.7410 5.7410 6.8832 6.8832 10.1384 10.1384 11.6820 11.6820 12.5916 12.5916 13.5405 13.5405 14.6128 14.6128 15.0918 15.0918 16.3886 16.3886 16.5760 16.5760 17.6191 17.6191 k = 0.0069 0.0069 0.1794 ( 3212 PWs) bands (ev): -48.0584 -48.0584 -48.0405 -48.0405 -22.2903 -22.2903 -22.2174 -22.2174 -14.6832 -14.6832 -14.4592 -14.4592 -14.3524 -14.3524 -14.2748 -14.2748 3.8404 3.8404 3.9783 3.9783 4.3228 4.3228 4.3363 4.3363 4.8969 4.8969 4.9086 4.9086 5.1979 5.1979 5.3440 5.3440 5.3899 5.3899 5.4498 5.4498 5.7413 5.7413 6.8759 6.8759 10.1313 10.1313 11.6815 11.6815 12.5875 12.5875 13.5367 13.5367 14.6147 14.6147 15.0940 15.0940 16.3891 16.3891 16.5760 16.5760 17.6202 17.6202 k = 0.0000 0.0000 0.1794 ( 3204 PWs) bands (ev): -48.0584 -48.0584 -48.0405 -48.0405 -22.2902 -22.2902 -22.2171 -22.2171 -14.6832 -14.6832 -14.4590 -14.4590 -14.3522 -14.3522 -14.2745 -14.2745 3.8400 3.8400 3.9778 3.9778 4.3228 4.3228 4.3364 4.3364 4.8962 4.8962 4.9089 4.9089 5.1991 5.1991 5.3440 5.3440 5.3899 5.3899 5.4489 5.4489 5.7415 5.7415 6.8734 6.8734 10.1290 10.1290 11.6813 11.6813 12.5862 12.5862 13.5354 13.5354 14.6154 14.6154 15.0947 15.0947 16.3892 16.3892 16.5761 16.5761 17.6205 17.6205 k = 0.0000 0.5000-0.0000 ( 3164 PWs) bands (ev): -48.0237 -48.0237 -48.0237 -48.0237 -22.3375 -22.3375 -22.3375 -22.3375 -14.8081 -14.8081 -14.8081 -14.8081 -14.3998 -14.3998 -14.3998 -14.3998 4.0187 4.0187 4.0187 4.0187 4.3132 4.3132 4.3132 4.3132 4.8888 4.8888 4.8888 4.8888 5.2616 5.2616 5.2616 5.2616 5.5609 5.5609 5.5609 5.5609 9.6806 9.6806 9.6806 9.6806 10.9498 10.9498 10.9498 10.9498 12.9073 12.9073 12.9073 12.9073 13.9207 13.9207 13.9207 13.9207 16.2551 16.2551 16.2551 16.2551 16.9924 16.9924 k = 0.0000 0.5000 0.0094 ( 3164 PWs) bands (ev): -48.0237 -48.0237 -48.0237 -48.0237 -22.3375 -22.3375 -22.3375 -22.3375 -14.8081 -14.8081 -14.8081 -14.8081 -14.3998 -14.3998 -14.3998 -14.3998 4.0188 4.0188 4.0188 4.0188 4.3132 4.3132 4.3132 4.3132 4.8888 4.8888 4.8888 4.8888 5.2616 5.2616 5.2616 5.2616 5.5609 5.5609 5.5609 5.5609 9.6795 9.6795 9.6795 9.6795 10.9529 10.9529 10.9529 10.9529 12.9040 12.9040 12.9040 12.9040 13.9207 13.9207 13.9207 13.9207 16.2551 16.2551 16.2551 16.2551 16.9956 16.9956 k = 0.0000 0.5000 0.0189 ( 3172 PWs) bands (ev): -48.0237 -48.0237 -48.0237 -48.0237 -22.3375 -22.3375 -22.3375 -22.3375 -14.8081 -14.8081 -14.8081 -14.8081 -14.3998 -14.3998 -14.3998 -14.3998 4.0188 4.0188 4.0188 4.0188 4.3131 4.3131 4.3131 4.3131 4.8887 4.8887 4.8887 4.8887 5.2615 5.2615 5.2615 5.2615 5.5608 5.5608 5.5608 5.5608 9.6760 9.6760 9.6760 9.6760 10.9622 10.9622 10.9622 10.9622 12.8943 12.8943 12.8943 12.8943 13.9205 13.9205 13.9205 13.9205 16.2551 16.2551 16.2551 16.2551 17.0048 17.0048 k = 0.0000 0.5000 0.0283 ( 3172 PWs) bands (ev): -48.0237 -48.0237 -48.0237 -48.0237 -22.3375 -22.3375 -22.3375 -22.3375 -14.8081 -14.8081 -14.8081 -14.8081 -14.3998 -14.3998 -14.3998 -14.3998 4.0188 4.0188 4.0188 4.0188 4.3131 4.3131 4.3131 4.3131 4.8887 4.8887 4.8887 4.8887 5.2614 5.2614 5.2614 5.2614 5.5609 5.5609 5.5609 5.5609 9.6705 9.6705 9.6705 9.6705 10.9773 10.9773 10.9773 10.9773 12.8784 12.8784 12.8784 12.8784 13.9203 13.9203 13.9203 13.9203 16.2551 16.2551 16.2551 16.2551 17.0200 17.0200 k = 0.0000 0.5000 0.0378 ( 3172 PWs) bands (ev): -48.0237 -48.0237 -48.0237 -48.0237 -22.3375 -22.3375 -22.3375 -22.3375 -14.8081 -14.8081 -14.8081 -14.8081 -14.3998 -14.3998 -14.3998 -14.3998 4.0190 4.0190 4.0190 4.0190 4.3130 4.3130 4.3130 4.3130 4.8887 4.8887 4.8887 4.8887 5.2613 5.2613 5.2613 5.2613 5.5609 5.5609 5.5609 5.5609 9.6631 9.6631 9.6631 9.6631 10.9981 10.9981 10.9981 10.9981 12.8565 12.8565 12.8565 12.8565 13.9201 13.9201 13.9201 13.9201 16.2552 16.2552 16.2552 16.2552 17.0407 17.0407 k = 0.0000 0.5000 0.0472 ( 3168 PWs) bands (ev): -48.0237 -48.0237 -48.0237 -48.0237 -22.3375 -22.3375 -22.3375 -22.3375 -14.8081 -14.8081 -14.8081 -14.8081 -14.3998 -14.3998 -14.3998 -14.3998 4.0192 4.0192 4.0192 4.0192 4.3130 4.3130 4.3130 4.3130 4.8887 4.8887 4.8887 4.8887 5.2613 5.2613 5.2613 5.2613 5.5609 5.5609 5.5609 5.5609 9.6542 9.6542 9.6542 9.6542 11.0240 11.0240 11.0240 11.0240 12.8291 12.8291 12.8291 12.8291 13.9197 13.9197 13.9197 13.9197 16.2552 16.2552 16.2552 16.2552 17.0664 17.0664 k = 0.0000 0.5000 0.0566 ( 3152 PWs) bands (ev): -48.0236 -48.0236 -48.0236 -48.0236 -22.3374 -22.3374 -22.3374 -22.3374 -14.8080 -14.8080 -14.8080 -14.8080 -14.3997 -14.3997 -14.3997 -14.3997 4.0195 4.0195 4.0195 4.0195 4.3131 4.3131 4.3131 4.3131 4.8887 4.8887 4.8887 4.8887 5.2613 5.2613 5.2613 5.2613 5.5610 5.5610 5.5610 5.5610 9.6440 9.6440 9.6440 9.6440 11.0547 11.0547 11.0547 11.0547 12.7965 12.7965 12.7965 12.7965 13.9193 13.9193 13.9193 13.9193 16.2552 16.2552 16.2552 16.2552 17.0966 17.0966 k = 0.0000 0.5000 0.0661 ( 3152 PWs) bands (ev): -48.0236 -48.0236 -48.0236 -48.0236 -22.3374 -22.3374 -22.3374 -22.3374 -14.8080 -14.8080 -14.8080 -14.8080 -14.3997 -14.3997 -14.3997 -14.3997 4.0198 4.0198 4.0198 4.0198 4.3130 4.3130 4.3130 4.3130 4.8887 4.8887 4.8887 4.8887 5.2612 5.2612 5.2612 5.2612 5.5610 5.5610 5.5610 5.5610 9.6331 9.6331 9.6331 9.6331 11.0896 11.0896 11.0896 11.0896 12.7595 12.7595 12.7595 12.7595 13.9188 13.9188 13.9188 13.9188 16.2553 16.2553 16.2553 16.2553 17.1304 17.1304 k = 0.0000 0.5000 0.0755 ( 3154 PWs) bands (ev): -48.0236 -48.0236 -48.0236 -48.0236 -22.3374 -22.3374 -22.3374 -22.3374 -14.8080 -14.8080 -14.8080 -14.8080 -14.3997 -14.3997 -14.3997 -14.3997 4.0201 4.0201 4.0201 4.0201 4.3130 4.3130 4.3130 4.3130 4.8886 4.8886 4.8886 4.8886 5.2610 5.2610 5.2610 5.2610 5.5609 5.5609 5.5609 5.5609 9.6216 9.6216 9.6216 9.6216 11.1281 11.1281 11.1281 11.1281 12.7185 12.7185 12.7185 12.7185 13.9183 13.9183 13.9183 13.9183 16.2553 16.2553 16.2553 16.2553 17.1670 17.1670 k = 0.0000 0.5000 0.0850 ( 3154 PWs) bands (ev): -48.0236 -48.0236 -48.0236 -48.0236 -22.3374 -22.3374 -22.3374 -22.3374 -14.8080 -14.8080 -14.8080 -14.8080 -14.3997 -14.3997 -14.3997 -14.3997 4.0204 4.0204 4.0204 4.0204 4.3129 4.3129 4.3129 4.3129 4.8885 4.8885 4.8885 4.8885 5.2608 5.2608 5.2608 5.2608 5.5609 5.5609 5.5609 5.5609 9.6100 9.6100 9.6100 9.6100 11.1694 11.1694 11.1694 11.1694 12.6744 12.6744 12.6744 12.6744 13.9177 13.9177 13.9177 13.9177 16.2554 16.2554 16.2554 16.2554 17.2055 17.2055 k = 0.0000 0.5000 0.0944 ( 3162 PWs) bands (ev): -48.0237 -48.0237 -48.0237 -48.0237 -22.3375 -22.3375 -22.3375 -22.3375 -14.8081 -14.8081 -14.8081 -14.8081 -14.3997 -14.3997 -14.3997 -14.3997 4.0205 4.0205 4.0205 4.0205 4.3128 4.3128 4.3128 4.3128 4.8884 4.8884 4.8884 4.8884 5.2607 5.2607 5.2607 5.2607 5.5608 5.5608 5.5608 5.5608 9.5986 9.5986 9.5986 9.5986 11.2130 11.2130 11.2130 11.2130 12.6279 12.6279 12.6279 12.6279 13.9171 13.9171 13.9171 13.9171 16.2555 16.2555 16.2555 16.2555 17.2449 17.2449 k = 0.0000 0.5000 0.1038 ( 3162 PWs) bands (ev): -48.0237 -48.0237 -48.0237 -48.0237 -22.3375 -22.3375 -22.3375 -22.3375 -14.8081 -14.8081 -14.8081 -14.8081 -14.3997 -14.3997 -14.3997 -14.3997 4.0208 4.0208 4.0208 4.0208 4.3128 4.3128 4.3128 4.3128 4.8884 4.8884 4.8884 4.8884 5.2605 5.2605 5.2605 5.2605 5.5608 5.5608 5.5608 5.5608 9.5877 9.5877 9.5877 9.5877 11.2581 11.2581 11.2581 11.2581 12.5798 12.5798 12.5798 12.5798 13.9166 13.9166 13.9166 13.9166 16.2555 16.2555 16.2555 16.2555 17.2843 17.2843 k = 0.0000 0.5000 0.1133 ( 3178 PWs) bands (ev): -48.0237 -48.0237 -48.0237 -48.0237 -22.3376 -22.3376 -22.3376 -22.3376 -14.8082 -14.8082 -14.8082 -14.8082 -14.3998 -14.3998 -14.3998 -14.3998 4.0209 4.0209 4.0209 4.0209 4.3126 4.3126 4.3126 4.3126 4.8882 4.8882 4.8882 4.8882 5.2603 5.2603 5.2603 5.2603 5.5606 5.5606 5.5606 5.5606 9.5774 9.5774 9.5774 9.5774 11.3037 11.3037 11.3037 11.3037 12.5313 12.5313 12.5313 12.5313 13.9160 13.9160 13.9160 13.9160 16.2556 16.2556 16.2556 16.2556 17.3224 17.3224 k = 0.0000 0.5000 0.1227 ( 3188 PWs) bands (ev): -48.0237 -48.0237 -48.0237 -48.0237 -22.3377 -22.3377 -22.3377 -22.3377 -14.8083 -14.8083 -14.8083 -14.8083 -14.3999 -14.3999 -14.3999 -14.3999 4.0211 4.0211 4.0211 4.0211 4.3125 4.3125 4.3125 4.3125 4.8881 4.8881 4.8881 4.8881 5.2601 5.2601 5.2601 5.2601 5.5605 5.5605 5.5605 5.5605 9.5682 9.5682 9.5682 9.5682 11.3487 11.3487 11.3487 11.3487 12.4834 12.4834 12.4834 12.4834 13.9155 13.9155 13.9155 13.9155 16.2557 16.2557 16.2557 16.2557 17.3583 17.3583 k = 0.0000 0.5000 0.1322 ( 3184 PWs) bands (ev): -48.0237 -48.0237 -48.0237 -48.0237 -22.3376 -22.3376 -22.3376 -22.3376 -14.8082 -14.8082 -14.8082 -14.8082 -14.3998 -14.3998 -14.3998 -14.3998 4.0214 4.0214 4.0214 4.0214 4.3125 4.3125 4.3125 4.3125 4.8881 4.8881 4.8881 4.8881 5.2600 5.2600 5.2600 5.2600 5.5605 5.5605 5.5605 5.5605 9.5600 9.5600 9.5600 9.5600 11.3920 11.3920 11.3920 11.3920 12.4375 12.4375 12.4375 12.4375 13.9150 13.9150 13.9150 13.9150 16.2557 16.2557 16.2557 16.2557 17.3910 17.3910 k = 0.0000 0.5000 0.1416 ( 3184 PWs) bands (ev): -48.0237 -48.0237 -48.0237 -48.0237 -22.3376 -22.3376 -22.3376 -22.3376 -14.8082 -14.8082 -14.8082 -14.8082 -14.3998 -14.3998 -14.3998 -14.3998 4.0216 4.0216 4.0216 4.0216 4.3125 4.3125 4.3125 4.3125 4.8881 4.8881 4.8881 4.8881 5.2599 5.2599 5.2599 5.2599 5.5604 5.5604 5.5604 5.5604 9.5532 9.5532 9.5532 9.5532 11.4318 11.4318 11.4318 11.4318 12.3955 12.3955 12.3955 12.3955 13.9146 13.9146 13.9146 13.9146 16.2558 16.2558 16.2558 16.2558 17.4193 17.4193 k = 0.0000 0.5000 0.1510 ( 3176 PWs) bands (ev): -48.0237 -48.0237 -48.0237 -48.0237 -22.3376 -22.3376 -22.3376 -22.3376 -14.8082 -14.8082 -14.8082 -14.8082 -14.3997 -14.3997 -14.3997 -14.3997 4.0218 4.0218 4.0218 4.0218 4.3126 4.3126 4.3126 4.3126 4.8881 4.8881 4.8881 4.8881 5.2598 5.2598 5.2598 5.2598 5.5604 5.5604 5.5604 5.5604 9.5477 9.5477 9.5477 9.5477 11.4663 11.4663 11.4663 11.4663 12.3591 12.3591 12.3591 12.3591 13.9143 13.9143 13.9143 13.9143 16.2558 16.2558 16.2558 16.2558 17.4424 17.4424 k = 0.0000 0.5000 0.1605 ( 3176 PWs) bands (ev): -48.0237 -48.0237 -48.0237 -48.0237 -22.3376 -22.3376 -22.3376 -22.3376 -14.8082 -14.8082 -14.8082 -14.8082 -14.3997 -14.3997 -14.3997 -14.3997 4.0219 4.0219 4.0219 4.0219 4.3125 4.3125 4.3125 4.3125 4.8881 4.8881 4.8881 4.8881 5.2598 5.2598 5.2598 5.2598 5.5604 5.5604 5.5604 5.5604 9.5438 9.5438 9.5438 9.5438 11.4934 11.4934 11.4934 11.4934 12.3307 12.3307 12.3307 12.3307 13.9140 13.9140 13.9140 13.9140 16.2559 16.2559 16.2559 16.2559 17.4596 17.4596 k = 0.0000 0.5000 0.1699 ( 3172 PWs) bands (ev): -48.0237 -48.0237 -48.0237 -48.0237 -22.3375 -22.3375 -22.3375 -22.3375 -14.8082 -14.8082 -14.8082 -14.8082 -14.3997 -14.3997 -14.3997 -14.3997 4.0220 4.0220 4.0220 4.0220 4.3125 4.3125 4.3125 4.3125 4.8881 4.8881 4.8881 4.8881 5.2598 5.2598 5.2598 5.2598 5.5605 5.5605 5.5605 5.5605 9.5414 9.5414 9.5414 9.5414 11.5108 11.5108 11.5108 11.5108 12.3125 12.3125 12.3125 12.3125 13.9139 13.9139 13.9139 13.9139 16.2559 16.2559 16.2559 16.2559 17.4701 17.4701 k = 0.0000 0.5000 0.1794 ( 3172 PWs) bands (ev): -48.0237 -48.0237 -48.0237 -48.0237 -22.3375 -22.3375 -22.3375 -22.3375 -14.8082 -14.8082 -14.8082 -14.8082 -14.3997 -14.3997 -14.3997 -14.3997 4.0220 4.0220 4.0220 4.0220 4.3125 4.3125 4.3125 4.3125 4.8881 4.8881 4.8881 4.8881 5.2598 5.2598 5.2598 5.2598 5.5605 5.5605 5.5605 5.5605 9.5406 9.5406 9.5406 9.5406 11.5168 11.5168 11.5168 11.5168 12.3062 12.3062 12.3062 12.3062 13.9138 13.9138 13.9138 13.9138 16.2559 16.2559 16.2559 16.2559 17.4737 17.4737 k = 0.5000 0.5000-0.0000 ( 3124 PWs) bands (ev): -47.9983 -47.9983 -47.9983 -47.9983 -22.4103 -22.4103 -22.4103 -22.4103 -14.8543 -14.8543 -14.8543 -14.8543 -14.6485 -14.6485 -14.6485 -14.6485 3.9259 3.9259 3.9259 3.9259 3.9791 3.9791 3.9791 3.9791 5.1290 5.1290 5.1290 5.1290 5.3840 5.3840 5.3840 5.3840 5.7500 5.7500 5.7500 5.7500 11.2753 11.2753 11.2753 11.2753 11.9522 11.9522 11.9522 11.9522 14.4868 14.4868 14.4868 14.4868 14.6248 14.6248 14.6248 14.6248 16.0099 16.0099 16.0099 16.0099 16.1982 16.1982 k = 0.5000 0.5000 0.0094 ( 3132 PWs) bands (ev): -47.9983 -47.9983 -47.9983 -47.9983 -22.4103 -22.4103 -22.4103 -22.4103 -14.8544 -14.8544 -14.8544 -14.8544 -14.6485 -14.6485 -14.6485 -14.6485 3.9258 3.9258 3.9258 3.9258 3.9791 3.9791 3.9791 3.9791 5.1289 5.1289 5.1289 5.1289 5.3840 5.3840 5.3840 5.3840 5.7499 5.7499 5.7499 5.7499 11.2752 11.2752 11.2752 11.2752 11.9541 11.9541 11.9541 11.9541 14.4205 14.4205 14.4205 14.4205 14.6925 14.6925 14.6925 14.6925 15.9800 15.9800 15.9800 15.9800 16.2322 16.2322 k = 0.5000 0.5000 0.0189 ( 3136 PWs) bands (ev): -47.9983 -47.9983 -47.9983 -47.9983 -22.4104 -22.4104 -22.4104 -22.4104 -14.8544 -14.8544 -14.8544 -14.8544 -14.6486 -14.6486 -14.6486 -14.6486 3.9258 3.9258 3.9258 3.9258 3.9791 3.9791 3.9791 3.9791 5.1288 5.1288 5.1288 5.1288 5.3838 5.3838 5.3838 5.3838 5.7499 5.7499 5.7499 5.7499 11.2750 11.2750 11.2750 11.2750 11.9600 11.9600 11.9600 11.9600 14.3144 14.3144 14.3144 14.3144 14.8028 14.8028 14.8028 14.8028 15.9199 15.9199 15.9199 15.9199 16.3044 16.3044 k = 0.5000 0.5000 0.0283 ( 3140 PWs) bands (ev): -47.9983 -47.9983 -47.9983 -47.9983 -22.4104 -22.4104 -22.4104 -22.4104 -14.8544 -14.8544 -14.8544 -14.8544 -14.6486 -14.6486 -14.6486 -14.6486 3.9258 3.9258 3.9258 3.9258 3.9793 3.9793 3.9793 3.9793 5.1286 5.1286 5.1286 5.1286 5.3837 5.3837 5.3837 5.3837 5.7498 5.7498 5.7498 5.7498 11.2746 11.2746 11.2746 11.2746 11.9698 11.9698 11.9698 11.9698 14.2044 14.2044 14.2044 14.2044 14.9195 14.9195 14.9195 14.9195 15.8542 15.8542 15.8542 15.8542 16.3904 16.3904 k = 0.5000 0.5000 0.0378 ( 3140 PWs) bands (ev): -47.9983 -47.9983 -47.9983 -47.9983 -22.4104 -22.4104 -22.4104 -22.4104 -14.8544 -14.8544 -14.8544 -14.8544 -14.6486 -14.6486 -14.6486 -14.6486 3.9259 3.9259 3.9259 3.9259 3.9795 3.9795 3.9795 3.9795 5.1284 5.1284 5.1284 5.1284 5.3836 5.3836 5.3836 5.3836 5.7497 5.7497 5.7497 5.7497 11.2742 11.2742 11.2742 11.2742 11.9835 11.9835 11.9835 11.9835 14.0947 14.0947 14.0947 14.0947 15.0385 15.0385 15.0385 15.0385 15.7893 15.7893 15.7893 15.7893 16.4834 16.4834 k = 0.5000 0.5000 0.0472 ( 3140 PWs) bands (ev): -47.9983 -47.9983 -47.9983 -47.9983 -22.4104 -22.4104 -22.4104 -22.4104 -14.8544 -14.8544 -14.8544 -14.8544 -14.6486 -14.6486 -14.6486 -14.6486 3.9260 3.9260 3.9260 3.9260 3.9797 3.9797 3.9797 3.9797 5.1281 5.1281 5.1281 5.1281 5.3834 5.3834 5.3834 5.3834 5.7496 5.7496 5.7496 5.7496 11.2736 11.2736 11.2736 11.2736 12.0010 12.0010 12.0010 12.0010 13.9864 13.9864 13.9864 13.9864 15.1583 15.1583 15.1583 15.1583 15.7277 15.7277 15.7277 15.7277 16.5812 16.5812 k = 0.5000 0.5000 0.0566 ( 3120 PWs) bands (ev): -47.9983 -47.9983 -47.9983 -47.9983 -22.4102 -22.4102 -22.4102 -22.4102 -14.8544 -14.8544 -14.8544 -14.8544 -14.6484 -14.6484 -14.6484 -14.6484 3.9263 3.9263 3.9263 3.9263 3.9800 3.9800 3.9800 3.9800 5.1280 5.1280 5.1280 5.1280 5.3834 5.3834 5.3834 5.3834 5.7495 5.7495 5.7495 5.7495 11.2729 11.2729 11.2729 11.2729 12.0223 12.0223 12.0223 12.0223 13.8799 13.8799 13.8799 13.8799 15.2778 15.2778 15.2778 15.2778 15.6704 15.6704 15.6704 15.6704 16.6828 16.6828 k = 0.5000 0.5000 0.0661 ( 3120 PWs) bands (ev): -47.9983 -47.9983 -47.9983 -47.9983 -22.4102 -22.4102 -22.4102 -22.4102 -14.8544 -14.8544 -14.8544 -14.8544 -14.6484 -14.6484 -14.6484 -14.6484 3.9264 3.9264 3.9264 3.9264 3.9803 3.9803 3.9803 3.9803 5.1277 5.1277 5.1277 5.1277 5.3832 5.3832 5.3832 5.3832 5.7493 5.7493 5.7493 5.7493 11.2722 11.2722 11.2722 11.2722 12.0474 12.0474 12.0474 12.0474 13.7756 13.7756 13.7756 13.7756 15.3948 15.3948 15.3948 15.3948 15.6197 15.6197 15.6197 15.6197 16.7875 16.7875 k = 0.5000 0.5000 0.0755 ( 3120 PWs) bands (ev): -47.9983 -47.9983 -47.9983 -47.9983 -22.4102 -22.4102 -22.4102 -22.4102 -14.8544 -14.8544 -14.8544 -14.8544 -14.6484 -14.6484 -14.6484 -14.6484 3.9265 3.9265 3.9265 3.9265 3.9806 3.9806 3.9806 3.9806 5.1273 5.1273 5.1273 5.1273 5.3829 5.3829 5.3829 5.3829 5.7492 5.7492 5.7492 5.7492 11.2714 11.2714 11.2714 11.2714 12.0760 12.0760 12.0760 12.0760 13.6737 13.6737 13.6737 13.6737 15.4932 15.4932 15.4932 15.4932 15.5911 15.5911 15.5911 15.5911 16.8946 16.8946 k = 0.5000 0.5000 0.0850 ( 3120 PWs) bands (ev): -47.9983 -47.9983 -47.9983 -47.9983 -22.4102 -22.4102 -22.4102 -22.4102 -14.8544 -14.8544 -14.8544 -14.8544 -14.6484 -14.6484 -14.6484 -14.6484 3.9267 3.9267 3.9267 3.9267 3.9810 3.9810 3.9810 3.9810 5.1269 5.1269 5.1269 5.1269 5.3827 5.3827 5.3827 5.3827 5.7490 5.7490 5.7490 5.7490 11.2705 11.2705 11.2705 11.2705 12.1082 12.1082 12.1082 12.1082 13.5744 13.5744 13.5744 13.5744 15.4980 15.4980 15.4980 15.4980 15.6594 15.6594 15.6594 15.6594 17.0033 17.0033 k = 0.5000 0.5000 0.0944 ( 3120 PWs) bands (ev): -47.9983 -47.9983 -47.9983 -47.9983 -22.4102 -22.4102 -22.4102 -22.4102 -14.8544 -14.8544 -14.8544 -14.8544 -14.6484 -14.6484 -14.6484 -14.6484 3.9268 3.9268 3.9268 3.9268 3.9813 3.9813 3.9813 3.9813 5.1265 5.1265 5.1265 5.1265 5.3824 5.3824 5.3824 5.3824 5.7488 5.7488 5.7488 5.7488 11.2697 11.2697 11.2697 11.2697 12.1438 12.1438 12.1438 12.1438 13.4779 13.4779 13.4779 13.4779 15.4630 15.4630 15.4630 15.4630 15.7699 15.7699 15.7699 15.7699 17.1129 17.1129 k = 0.5000 0.5000 0.1038 ( 3120 PWs) bands (ev): -47.9983 -47.9983 -47.9983 -47.9983 -22.4102 -22.4102 -22.4102 -22.4102 -14.8544 -14.8544 -14.8544 -14.8544 -14.6484 -14.6484 -14.6484 -14.6484 3.9270 3.9270 3.9270 3.9270 3.9817 3.9817 3.9817 3.9817 5.1262 5.1262 5.1262 5.1262 5.3821 5.3821 5.3821 5.3821 5.7486 5.7486 5.7486 5.7486 11.2689 11.2689 11.2689 11.2689 12.1825 12.1825 12.1825 12.1825 13.3845 13.3845 13.3845 13.3845 15.4275 15.4275 15.4275 15.4275 15.8826 15.8826 15.8826 15.8826 17.2223 17.2223 k = 0.5000 0.5000 0.1133 ( 3112 PWs) bands (ev): -47.9983 -47.9983 -47.9983 -47.9983 -22.4102 -22.4102 -22.4102 -22.4102 -14.8543 -14.8543 -14.8543 -14.8543 -14.6484 -14.6484 -14.6484 -14.6484 3.9272 3.9272 3.9272 3.9272 3.9820 3.9820 3.9820 3.9820 5.1259 5.1259 5.1259 5.1259 5.3819 5.3819 5.3819 5.3819 5.7485 5.7485 5.7485 5.7485 11.2681 11.2681 11.2681 11.2681 12.2242 12.2242 12.2242 12.2242 13.2946 13.2946 13.2946 13.2946 15.3951 15.3951 15.3951 15.3951 15.9926 15.9926 15.9926 15.9926 17.3300 17.3300 k = 0.5000 0.5000 0.1227 ( 3116 PWs) bands (ev): -47.9983 -47.9983 -47.9983 -47.9983 -22.4102 -22.4102 -22.4102 -22.4102 -14.8543 -14.8543 -14.8543 -14.8543 -14.6484 -14.6484 -14.6484 -14.6484 3.9272 3.9272 3.9272 3.9272 3.9823 3.9823 3.9823 3.9823 5.1255 5.1255 5.1255 5.1255 5.3817 5.3817 5.3817 5.3817 5.7484 5.7484 5.7484 5.7484 11.2673 11.2673 11.2673 11.2673 12.2682 12.2682 12.2682 12.2682 13.2085 13.2085 13.2085 13.2085 15.3667 15.3667 15.3667 15.3667 16.0975 16.0975 16.0975 16.0975 17.4341 17.4341 k = 0.5000 0.5000 0.1322 ( 3116 PWs) bands (ev): -47.9983 -47.9983 -47.9983 -47.9983 -22.4102 -22.4102 -22.4102 -22.4102 -14.8543 -14.8543 -14.8543 -14.8543 -14.6484 -14.6484 -14.6484 -14.6484 3.9273 3.9273 3.9273 3.9273 3.9825 3.9825 3.9825 3.9825 5.1252 5.1252 5.1252 5.1252 5.3815 5.3815 5.3815 5.3815 5.7482 5.7482 5.7482 5.7482 11.2666 11.2666 11.2666 11.2666 12.3141 12.3141 12.3141 12.3141 13.1271 13.1271 13.1271 13.1271 15.3426 15.3426 15.3426 15.3426 16.1950 16.1950 16.1950 16.1950 17.5323 17.5323 k = 0.5000 0.5000 0.1416 ( 3132 PWs) bands (ev): -47.9983 -47.9983 -47.9983 -47.9983 -22.4103 -22.4103 -22.4103 -22.4103 -14.8544 -14.8544 -14.8544 -14.8544 -14.6485 -14.6485 -14.6485 -14.6485 3.9273 3.9273 3.9273 3.9273 3.9827 3.9827 3.9827 3.9827 5.1248 5.1248 5.1248 5.1248 5.3811 5.3811 5.3811 5.3811 5.7481 5.7481 5.7481 5.7481 11.2660 11.2660 11.2660 11.2660 12.3607 12.3607 12.3607 12.3607 13.0514 13.0514 13.0514 13.0514 15.3227 15.3227 15.3227 15.3227 16.2824 16.2824 16.2824 16.2824 17.6212 17.6212 k = 0.5000 0.5000 0.1510 ( 3144 PWs) bands (ev): -47.9983 -47.9983 -47.9983 -47.9983 -22.4104 -22.4104 -22.4104 -22.4104 -14.8544 -14.8544 -14.8544 -14.8544 -14.6486 -14.6486 -14.6486 -14.6486 3.9272 3.9272 3.9272 3.9272 3.9828 3.9828 3.9828 3.9828 5.1245 5.1245 5.1245 5.1245 5.3809 5.3809 5.3809 5.3809 5.7479 5.7479 5.7479 5.7479 11.2656 11.2656 11.2656 11.2656 12.4061 12.4061 12.4061 12.4061 12.9833 12.9833 12.9833 12.9833 15.3073 15.3073 15.3073 15.3073 16.3565 16.3565 16.3565 16.3565 17.6967 17.6967 k = 0.5000 0.5000 0.1605 ( 3144 PWs) bands (ev): -47.9983 -47.9983 -47.9983 -47.9983 -22.4104 -22.4104 -22.4104 -22.4104 -14.8544 -14.8544 -14.8544 -14.8544 -14.6486 -14.6486 -14.6486 -14.6486 3.9273 3.9273 3.9273 3.9273 3.9830 3.9830 3.9830 3.9830 5.1243 5.1243 5.1243 5.1243 5.3808 5.3808 5.3808 5.3808 5.7478 5.7478 5.7478 5.7478 11.2652 11.2652 11.2652 11.2652 12.4468 12.4468 12.4468 12.4468 12.9265 12.9265 12.9265 12.9265 15.2962 15.2962 15.2962 15.2962 16.4135 16.4135 16.4135 16.4135 17.7543 17.7543 k = 0.5000 0.5000 0.1699 ( 3144 PWs) bands (ev): -47.9983 -47.9983 -47.9983 -47.9983 -22.4104 -22.4104 -22.4104 -22.4104 -14.8544 -14.8544 -14.8544 -14.8544 -14.6486 -14.6486 -14.6486 -14.6486 3.9274 3.9274 3.9274 3.9274 3.9830 3.9830 3.9830 3.9830 5.1242 5.1242 5.1242 5.1242 5.3808 5.3808 5.3808 5.3808 5.7478 5.7478 5.7478 5.7478 11.2650 11.2650 11.2650 11.2650 12.4768 12.4768 12.4768 12.4768 12.8867 12.8867 12.8867 12.8867 15.2895 15.2895 15.2895 15.2895 16.4497 16.4497 16.4497 16.4497 17.7901 17.7901 k = 0.5000 0.5000 0.1794 ( 3160 PWs) bands (ev): -47.9983 -47.9983 -47.9983 -47.9983 -22.4105 -22.4105 -22.4105 -22.4105 -14.8545 -14.8545 -14.8545 -14.8545 -14.6488 -14.6488 -14.6488 -14.6488 3.9272 3.9272 3.9272 3.9272 3.9829 3.9829 3.9829 3.9829 5.1241 5.1241 5.1241 5.1241 5.3806 5.3806 5.3806 5.3806 5.7478 5.7478 5.7478 5.7478 11.2649 11.2649 11.2649 11.2649 12.4882 12.4882 12.4882 12.4882 12.8721 12.8721 12.8721 12.8721 15.2873 15.2873 15.2873 15.2873 16.4621 16.4621 16.4621 16.4621 17.8021 17.8021 Writing output data file HfCd.save init_run : 0.86s CPU 1.15s WALL ( 1 calls) electrons : 217.40s CPU 222.10s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.09s WALL ( 1 calls) potinit : 0.03s CPU 0.10s WALL ( 1 calls) Called by electrons: c_bands : 217.39s CPU 222.09s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.12s CPU 0.20s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.07s CPU 0.06s WALL ( 414 calls) cegterg : 202.59s CPU 205.67s WALL ( 610 calls) Called by sum_band: Called by *egterg: h_psi : 94.98s CPU 96.95s WALL ( 10566 calls) s_psi : 7.14s CPU 7.21s WALL ( 10566 calls) g_psi : 0.24s CPU 0.25s WALL ( 9542 calls) cdiaghg : 90.02s CPU 91.20s WALL ( 9956 calls) cegterg:over : 8.01s CPU 8.06s WALL ( 9542 calls) cegterg:upda : 6.68s CPU 6.85s WALL ( 9542 calls) cegterg:last : 3.82s CPU 3.81s WALL ( 1649 calls) cdiaghg:chol : 4.97s CPU 5.12s WALL ( 9956 calls) cdiaghg:inve : 3.48s CPU 3.61s WALL ( 9956 calls) cdiaghg:para : 6.02s CPU 6.00s WALL ( 19912 calls) Called by h_psi: h_psi:vloc : 79.31s CPU 81.07s WALL ( 10566 calls) h_psi:vnl : 15.43s CPU 15.60s WALL ( 10566 calls) add_vuspsi : 8.35s CPU 8.27s WALL ( 10566 calls) General routines calbec : 7.05s CPU 7.30s WALL ( 10566 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 71.66s CPU 73.34s WALL ( 1189848 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.24s CPU 0.23s WALL ( 828 calls) Parallel routines fft_scatter : 27.19s CPU 28.11s WALL ( 1189871 calls) PWSCF : 3m56.70s CPU 4m30.61s WALL This run was terminated on: 16:50:55 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=