Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 14:18: 1 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: ./BaMgGe.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S renormalized file Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2P 2P 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 65 40 11 4091 1952 299 Max 66 41 12 4100 1971 306 Sum 2361 1449 421 147437 70633 10891 bravais-lattice index = 14 lattice parameter (alat) = 8.7683 a.u. unit-cell volume = 1150.6882 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 59.0000 Ry charge density cutoff = 386.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.768329 celldm(2)= 1.000000 celldm(3)= 1.706897 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 1.706897 ) 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 0.585859 ) PseudoPot. # 1 for Ge read from file: /users/gautes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1207 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ba read from file: /users/gautes/Pseudo/Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3006f3397849ee49953ff32be8e81b23 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1251 points, 11 beta functions with: l(1) = 0 l(2) = 0 l(3) = 0 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 1 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Mg read from file: /users/gautes/Pseudo/Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 99618f2d1dea131ec68d28ce241ef835 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1129 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ge 4.00 72.64000 Ge( 1.00) Ba 10.00 137.32700 Ba( 1.00) Mg 10.00 24.30500 Mg( 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= 301 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033223 k( 2) = ( 0.0000000 0.0147059 -0.0000000), wk = 0.0033223 k( 3) = ( 0.0000000 0.0294118 -0.0000000), wk = 0.0033223 k( 4) = ( 0.0000000 0.0441177 -0.0000000), wk = 0.0033223 k( 5) = ( 0.0000000 0.0588235 -0.0000000), wk = 0.0033223 k( 6) = ( 0.0000000 0.0735294 -0.0000000), wk = 0.0033223 k( 7) = ( 0.0000000 0.0882353 -0.0000000), wk = 0.0033223 k( 8) = ( 0.0000000 0.1029412 -0.0000000), wk = 0.0033223 k( 9) = ( 0.0000000 0.1176471 -0.0000000), wk = 0.0033223 k( 10) = ( 0.0000000 0.1323529 -0.0000000), wk = 0.0033223 k( 11) = ( 0.0000000 0.1470588 -0.0000000), wk = 0.0033223 k( 12) = ( 0.0000000 0.1617647 -0.0000000), wk = 0.0033223 k( 13) = ( 0.0000000 0.1764706 -0.0000000), wk = 0.0033223 k( 14) = ( 0.0000000 0.1911765 -0.0000000), wk = 0.0033223 k( 15) = ( 0.0000000 0.2058823 -0.0000000), wk = 0.0033223 k( 16) = ( 0.0000000 0.2205882 -0.0000000), wk = 0.0033223 k( 17) = ( 0.0000000 0.2352941 -0.0000000), wk = 0.0033223 k( 18) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0033223 k( 19) = ( 0.0000000 0.2647059 -0.0000000), wk = 0.0033223 k( 20) = ( 0.0000000 0.2794118 -0.0000000), wk = 0.0033223 k( 21) = ( 0.0000000 0.2941177 -0.0000000), wk = 0.0033223 k( 22) = ( 0.0000000 0.3088235 -0.0000000), wk = 0.0033223 k( 23) = ( 0.0000000 0.3235294 -0.0000000), wk = 0.0033223 k( 24) = ( 0.0000000 0.3382353 -0.0000000), wk = 0.0033223 k( 25) = ( 0.0000000 0.3529412 -0.0000000), wk = 0.0033223 k( 26) = ( 0.0000000 0.3676471 -0.0000000), wk = 0.0033223 k( 27) = ( 0.0000000 0.3823529 -0.0000000), wk = 0.0033223 k( 28) = ( 0.0000000 0.3970588 -0.0000000), wk = 0.0033223 k( 29) = ( 0.0000000 0.4117647 -0.0000000), wk = 0.0033223 k( 30) = ( 0.0000000 0.4264706 -0.0000000), wk = 0.0033223 k( 31) = ( 0.0000000 0.4411765 -0.0000000), wk = 0.0033223 k( 32) = ( 0.0000000 0.4558823 -0.0000000), wk = 0.0033223 k( 33) = ( 0.0000000 0.4705882 -0.0000000), wk = 0.0033223 k( 34) = ( 0.0000000 0.4852941 -0.0000000), wk = 0.0033223 k( 35) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0033223 k( 36) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0033223 k( 37) = ( 0.0147059 0.5000000 -0.0000000), wk = 0.0033223 k( 38) = ( 0.0294118 0.5000000 -0.0000000), wk = 0.0033223 k( 39) = ( 0.0441177 0.5000000 -0.0000000), wk = 0.0033223 k( 40) = ( 0.0588235 0.5000000 -0.0000000), wk = 0.0033223 k( 41) = ( 0.0735294 0.5000000 -0.0000000), wk = 0.0033223 k( 42) = ( 0.0882353 0.5000000 -0.0000000), wk = 0.0033223 k( 43) = ( 0.1029412 0.5000000 -0.0000000), wk = 0.0033223 k( 44) = ( 0.1176471 0.5000000 -0.0000000), wk = 0.0033223 k( 45) = ( 0.1323529 0.5000000 -0.0000000), wk = 0.0033223 k( 46) = ( 0.1470588 0.5000000 -0.0000000), wk = 0.0033223 k( 47) = ( 0.1617647 0.5000000 -0.0000000), wk = 0.0033223 k( 48) = ( 0.1764706 0.5000000 -0.0000000), wk = 0.0033223 k( 49) = ( 0.1911765 0.5000000 -0.0000000), wk = 0.0033223 k( 50) = ( 0.2058823 0.5000000 -0.0000000), wk = 0.0033223 k( 51) = ( 0.2205882 0.5000000 -0.0000000), wk = 0.0033223 k( 52) = ( 0.2352941 0.5000000 -0.0000000), wk = 0.0033223 k( 53) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0033223 k( 54) = ( 0.2647059 0.5000000 -0.0000000), wk = 0.0033223 k( 55) = ( 0.2794118 0.5000000 -0.0000000), wk = 0.0033223 k( 56) = ( 0.2941177 0.5000000 -0.0000000), wk = 0.0033223 k( 57) = ( 0.3088235 0.5000000 -0.0000000), wk = 0.0033223 k( 58) = ( 0.3235294 0.5000000 -0.0000000), wk = 0.0033223 k( 59) = ( 0.3382353 0.5000000 -0.0000000), wk = 0.0033223 k( 60) = ( 0.3529412 0.5000000 -0.0000000), wk = 0.0033223 k( 61) = ( 0.3676471 0.5000000 -0.0000000), wk = 0.0033223 k( 62) = ( 0.3823529 0.5000000 -0.0000000), wk = 0.0033223 k( 63) = ( 0.3970588 0.5000000 -0.0000000), wk = 0.0033223 k( 64) = ( 0.4117647 0.5000000 -0.0000000), wk = 0.0033223 k( 65) = ( 0.4264706 0.5000000 -0.0000000), wk = 0.0033223 k( 66) = ( 0.4411765 0.5000000 -0.0000000), wk = 0.0033223 k( 67) = ( 0.4558823 0.5000000 -0.0000000), wk = 0.0033223 k( 68) = ( 0.4705882 0.5000000 -0.0000000), wk = 0.0033223 k( 69) = ( 0.4852941 0.5000000 -0.0000000), wk = 0.0033223 k( 70) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0033223 k( 71) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0033223 k( 72) = ( 0.4895833 0.4895833 -0.0000000), wk = 0.0033223 k( 73) = ( 0.4791667 0.4791667 -0.0000000), wk = 0.0033223 k( 74) = ( 0.4687500 0.4687500 -0.0000000), wk = 0.0033223 k( 75) = ( 0.4583333 0.4583333 -0.0000000), wk = 0.0033223 k( 76) = ( 0.4479167 0.4479167 -0.0000000), wk = 0.0033223 k( 77) = ( 0.4375000 0.4375000 -0.0000000), wk = 0.0033223 k( 78) = ( 0.4270833 0.4270833 -0.0000000), wk = 0.0033223 k( 79) = ( 0.4166667 0.4166667 -0.0000000), wk = 0.0033223 k( 80) = ( 0.4062500 0.4062500 -0.0000000), wk = 0.0033223 k( 81) = ( 0.3958333 0.3958333 -0.0000000), wk = 0.0033223 k( 82) = ( 0.3854167 0.3854167 -0.0000000), wk = 0.0033223 k( 83) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0033223 k( 84) = ( 0.3645833 0.3645833 -0.0000000), wk = 0.0033223 k( 85) = ( 0.3541667 0.3541667 -0.0000000), wk = 0.0033223 k( 86) = ( 0.3437500 0.3437500 -0.0000000), wk = 0.0033223 k( 87) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0033223 k( 88) = ( 0.3229167 0.3229167 -0.0000000), wk = 0.0033223 k( 89) = ( 0.3125000 0.3125000 -0.0000000), wk = 0.0033223 k( 90) = ( 0.3020833 0.3020833 -0.0000000), wk = 0.0033223 k( 91) = ( 0.2916667 0.2916667 -0.0000000), wk = 0.0033223 k( 92) = ( 0.2812500 0.2812500 -0.0000000), wk = 0.0033223 k( 93) = ( 0.2708333 0.2708333 -0.0000000), wk = 0.0033223 k( 94) = ( 0.2604167 0.2604167 -0.0000000), wk = 0.0033223 k( 95) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0033223 k( 96) = ( 0.2395833 0.2395833 -0.0000000), wk = 0.0033223 k( 97) = ( 0.2291667 0.2291667 -0.0000000), wk = 0.0033223 k( 98) = ( 0.2187500 0.2187500 -0.0000000), wk = 0.0033223 k( 99) = ( 0.2083333 0.2083333 -0.0000000), wk = 0.0033223 k( 100) = ( 0.1979167 0.1979167 -0.0000000), wk = 0.0033223 k( 101) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0033223 k( 102) = ( 0.1770833 0.1770833 -0.0000000), wk = 0.0033223 k( 103) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0033223 k( 104) = ( 0.1562500 0.1562500 -0.0000000), wk = 0.0033223 k( 105) = ( 0.1458333 0.1458333 -0.0000000), wk = 0.0033223 k( 106) = ( 0.1354167 0.1354167 -0.0000000), wk = 0.0033223 k( 107) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0033223 k( 108) = ( 0.1145833 0.1145833 -0.0000000), wk = 0.0033223 k( 109) = ( 0.1041667 0.1041667 -0.0000000), wk = 0.0033223 k( 110) = ( 0.0937500 0.0937500 -0.0000000), wk = 0.0033223 k( 111) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0033223 k( 112) = ( 0.0729167 0.0729167 -0.0000000), wk = 0.0033223 k( 113) = ( 0.0625000 0.0625000 -0.0000000), wk = 0.0033223 k( 114) = ( 0.0520833 0.0520833 -0.0000000), wk = 0.0033223 k( 115) = ( 0.0416667 0.0416667 -0.0000000), wk = 0.0033223 k( 116) = ( 0.0312500 0.0312500 -0.0000000), wk = 0.0033223 k( 117) = ( 0.0208333 0.0208333 -0.0000000), wk = 0.0033223 k( 118) = ( 0.0104167 0.0104167 -0.0000000), wk = 0.0033223 k( 119) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033223 k( 120) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033223 k( 121) = ( 0.0000000 0.0000000 0.0146465), wk = 0.0033223 k( 122) = ( 0.0000000 0.0000000 0.0292929), wk = 0.0033223 k( 123) = ( 0.0000000 0.0000000 0.0439394), wk = 0.0033223 k( 124) = ( 0.0000000 0.0000000 0.0585859), wk = 0.0033223 k( 125) = ( 0.0000000 0.0000000 0.0732323), wk = 0.0033223 k( 126) = ( 0.0000000 0.0000000 0.0878788), wk = 0.0033223 k( 127) = ( 0.0000000 0.0000000 0.1025253), wk = 0.0033223 k( 128) = ( 0.0000000 0.0000000 0.1171717), wk = 0.0033223 k( 129) = ( 0.0000000 0.0000000 0.1318182), wk = 0.0033223 k( 130) = ( 0.0000000 0.0000000 0.1464646), wk = 0.0033223 k( 131) = ( 0.0000000 0.0000000 0.1611111), wk = 0.0033223 k( 132) = ( 0.0000000 0.0000000 0.1757576), wk = 0.0033223 k( 133) = ( 0.0000000 0.0000000 0.1904040), wk = 0.0033223 k( 134) = ( 0.0000000 0.0000000 0.2050505), wk = 0.0033223 k( 135) = ( 0.0000000 0.0000000 0.2196970), wk = 0.0033223 k( 136) = ( 0.0000000 0.0000000 0.2343434), wk = 0.0033223 k( 137) = ( 0.0000000 0.0000000 0.2489899), wk = 0.0033223 k( 138) = ( 0.0000000 0.0000000 0.2636364), wk = 0.0033223 k( 139) = ( 0.0000000 0.0000000 0.2782828), wk = 0.0033223 k( 140) = ( 0.0000000 0.0000000 0.2929293), wk = 0.0033223 k( 141) = ( 0.0000000 0.0000000 0.2929293), wk = 0.0033223 k( 142) = ( 0.0000000 0.0147059 0.2929293), wk = 0.0033223 k( 143) = ( 0.0000000 0.0294118 0.2929293), wk = 0.0033223 k( 144) = ( 0.0000000 0.0441177 0.2929293), wk = 0.0033223 k( 145) = ( 0.0000000 0.0588235 0.2929293), wk = 0.0033223 k( 146) = ( 0.0000000 0.0735294 0.2929293), wk = 0.0033223 k( 147) = ( 0.0000000 0.0882353 0.2929293), wk = 0.0033223 k( 148) = ( 0.0000000 0.1029412 0.2929293), wk = 0.0033223 k( 149) = ( 0.0000000 0.1176471 0.2929293), wk = 0.0033223 k( 150) = ( 0.0000000 0.1323529 0.2929293), wk = 0.0033223 k( 151) = ( 0.0000000 0.1470588 0.2929293), wk = 0.0033223 k( 152) = ( 0.0000000 0.1617647 0.2929293), wk = 0.0033223 k( 153) = ( 0.0000000 0.1764706 0.2929293), wk = 0.0033223 k( 154) = ( 0.0000000 0.1911765 0.2929293), wk = 0.0033223 k( 155) = ( 0.0000000 0.2058823 0.2929293), wk = 0.0033223 k( 156) = ( 0.0000000 0.2205882 0.2929293), wk = 0.0033223 k( 157) = ( 0.0000000 0.2352941 0.2929293), wk = 0.0033223 k( 158) = ( 0.0000000 0.2500000 0.2929293), wk = 0.0033223 k( 159) = ( 0.0000000 0.2647059 0.2929293), wk = 0.0033223 k( 160) = ( 0.0000000 0.2794118 0.2929293), wk = 0.0033223 k( 161) = ( 0.0000000 0.2941177 0.2929293), wk = 0.0033223 k( 162) = ( 0.0000000 0.3088235 0.2929293), wk = 0.0033223 k( 163) = ( 0.0000000 0.3235294 0.2929293), wk = 0.0033223 k( 164) = ( 0.0000000 0.3382353 0.2929293), wk = 0.0033223 k( 165) = ( 0.0000000 0.3529412 0.2929293), wk = 0.0033223 k( 166) = ( 0.0000000 0.3676471 0.2929293), wk = 0.0033223 k( 167) = ( 0.0000000 0.3823529 0.2929293), wk = 0.0033223 k( 168) = ( 0.0000000 0.3970588 0.2929293), wk = 0.0033223 k( 169) = ( 0.0000000 0.4117647 0.2929293), wk = 0.0033223 k( 170) = ( 0.0000000 0.4264706 0.2929293), wk = 0.0033223 k( 171) = ( 0.0000000 0.4411765 0.2929293), wk = 0.0033223 k( 172) = ( 0.0000000 0.4558823 0.2929293), wk = 0.0033223 k( 173) = ( 0.0000000 0.4705882 0.2929293), wk = 0.0033223 k( 174) = ( 0.0000000 0.4852941 0.2929293), wk = 0.0033223 k( 175) = ( 0.0000000 0.5000000 0.2929293), wk = 0.0033223 k( 176) = ( 0.0000000 0.5000000 0.2929293), wk = 0.0033223 k( 177) = ( 0.0147059 0.5000000 0.2929293), wk = 0.0033223 k( 178) = ( 0.0294118 0.5000000 0.2929293), wk = 0.0033223 k( 179) = ( 0.0441177 0.5000000 0.2929293), wk = 0.0033223 k( 180) = ( 0.0588235 0.5000000 0.2929293), wk = 0.0033223 k( 181) = ( 0.0735294 0.5000000 0.2929293), wk = 0.0033223 k( 182) = ( 0.0882353 0.5000000 0.2929293), wk = 0.0033223 k( 183) = ( 0.1029412 0.5000000 0.2929293), wk = 0.0033223 k( 184) = ( 0.1176471 0.5000000 0.2929293), wk = 0.0033223 k( 185) = ( 0.1323529 0.5000000 0.2929293), wk = 0.0033223 k( 186) = ( 0.1470588 0.5000000 0.2929293), wk = 0.0033223 k( 187) = ( 0.1617647 0.5000000 0.2929293), wk = 0.0033223 k( 188) = ( 0.1764706 0.5000000 0.2929293), wk = 0.0033223 k( 189) = ( 0.1911765 0.5000000 0.2929293), wk = 0.0033223 k( 190) = ( 0.2058823 0.5000000 0.2929293), wk = 0.0033223 k( 191) = ( 0.2205882 0.5000000 0.2929293), wk = 0.0033223 k( 192) = ( 0.2352941 0.5000000 0.2929293), wk = 0.0033223 k( 193) = ( 0.2500000 0.5000000 0.2929293), wk = 0.0033223 k( 194) = ( 0.2647059 0.5000000 0.2929293), wk = 0.0033223 k( 195) = ( 0.2794118 0.5000000 0.2929293), wk = 0.0033223 k( 196) = ( 0.2941177 0.5000000 0.2929293), wk = 0.0033223 k( 197) = ( 0.3088235 0.5000000 0.2929293), wk = 0.0033223 k( 198) = ( 0.3235294 0.5000000 0.2929293), wk = 0.0033223 k( 199) = ( 0.3382353 0.5000000 0.2929293), wk = 0.0033223 k( 200) = ( 0.3529412 0.5000000 0.2929293), wk = 0.0033223 k( 201) = ( 0.3676471 0.5000000 0.2929293), wk = 0.0033223 k( 202) = ( 0.3823529 0.5000000 0.2929293), wk = 0.0033223 k( 203) = ( 0.3970588 0.5000000 0.2929293), wk = 0.0033223 k( 204) = ( 0.4117647 0.5000000 0.2929293), wk = 0.0033223 k( 205) = ( 0.4264706 0.5000000 0.2929293), wk = 0.0033223 k( 206) = ( 0.4411765 0.5000000 0.2929293), wk = 0.0033223 k( 207) = ( 0.4558823 0.5000000 0.2929293), wk = 0.0033223 k( 208) = ( 0.4705882 0.5000000 0.2929293), wk = 0.0033223 k( 209) = ( 0.4852941 0.5000000 0.2929293), wk = 0.0033223 k( 210) = ( 0.5000000 0.5000000 0.2929293), wk = 0.0033223 k( 211) = ( 0.5000000 0.5000000 0.2929293), wk = 0.0033223 k( 212) = ( 0.4895833 0.4895833 0.2929293), wk = 0.0033223 k( 213) = ( 0.4791667 0.4791667 0.2929293), wk = 0.0033223 k( 214) = ( 0.4687500 0.4687500 0.2929293), wk = 0.0033223 k( 215) = ( 0.4583333 0.4583333 0.2929293), wk = 0.0033223 k( 216) = ( 0.4479167 0.4479167 0.2929293), wk = 0.0033223 k( 217) = ( 0.4375000 0.4375000 0.2929293), wk = 0.0033223 k( 218) = ( 0.4270833 0.4270833 0.2929293), wk = 0.0033223 k( 219) = ( 0.4166667 0.4166667 0.2929293), wk = 0.0033223 k( 220) = ( 0.4062500 0.4062500 0.2929293), wk = 0.0033223 k( 221) = ( 0.3958333 0.3958333 0.2929293), wk = 0.0033223 k( 222) = ( 0.3854167 0.3854167 0.2929293), wk = 0.0033223 k( 223) = ( 0.3750000 0.3750000 0.2929293), wk = 0.0033223 k( 224) = ( 0.3645833 0.3645833 0.2929293), wk = 0.0033223 k( 225) = ( 0.3541667 0.3541667 0.2929293), wk = 0.0033223 k( 226) = ( 0.3437500 0.3437500 0.2929293), wk = 0.0033223 k( 227) = ( 0.3333333 0.3333333 0.2929293), wk = 0.0033223 k( 228) = ( 0.3229167 0.3229167 0.2929293), wk = 0.0033223 k( 229) = ( 0.3125000 0.3125000 0.2929293), wk = 0.0033223 k( 230) = ( 0.3020833 0.3020833 0.2929293), wk = 0.0033223 k( 231) = ( 0.2916667 0.2916667 0.2929293), wk = 0.0033223 k( 232) = ( 0.2812500 0.2812500 0.2929293), wk = 0.0033223 k( 233) = ( 0.2708333 0.2708333 0.2929293), wk = 0.0033223 k( 234) = ( 0.2604167 0.2604167 0.2929293), wk = 0.0033223 k( 235) = ( 0.2500000 0.2500000 0.2929293), wk = 0.0033223 k( 236) = ( 0.2395833 0.2395833 0.2929293), wk = 0.0033223 k( 237) = ( 0.2291667 0.2291667 0.2929293), wk = 0.0033223 k( 238) = ( 0.2187500 0.2187500 0.2929293), wk = 0.0033223 k( 239) = ( 0.2083333 0.2083333 0.2929293), wk = 0.0033223 k( 240) = ( 0.1979167 0.1979167 0.2929293), wk = 0.0033223 k( 241) = ( 0.1875000 0.1875000 0.2929293), wk = 0.0033223 k( 242) = ( 0.1770833 0.1770833 0.2929293), wk = 0.0033223 k( 243) = ( 0.1666667 0.1666667 0.2929293), wk = 0.0033223 k( 244) = ( 0.1562500 0.1562500 0.2929293), wk = 0.0033223 k( 245) = ( 0.1458333 0.1458333 0.2929293), wk = 0.0033223 k( 246) = ( 0.1354167 0.1354167 0.2929293), wk = 0.0033223 k( 247) = ( 0.1250000 0.1250000 0.2929293), wk = 0.0033223 k( 248) = ( 0.1145833 0.1145833 0.2929293), wk = 0.0033223 k( 249) = ( 0.1041667 0.1041667 0.2929293), wk = 0.0033223 k( 250) = ( 0.0937500 0.0937500 0.2929293), wk = 0.0033223 k( 251) = ( 0.0833333 0.0833333 0.2929293), wk = 0.0033223 k( 252) = ( 0.0729167 0.0729167 0.2929293), wk = 0.0033223 k( 253) = ( 0.0625000 0.0625000 0.2929293), wk = 0.0033223 k( 254) = ( 0.0520833 0.0520833 0.2929293), wk = 0.0033223 k( 255) = ( 0.0416667 0.0416667 0.2929293), wk = 0.0033223 k( 256) = ( 0.0312500 0.0312500 0.2929293), wk = 0.0033223 k( 257) = ( 0.0208333 0.0208333 0.2929293), wk = 0.0033223 k( 258) = ( 0.0104167 0.0104167 0.2929293), wk = 0.0033223 k( 259) = ( 0.0000000 0.0000000 0.2929293), wk = 0.0033223 k( 260) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0033223 k( 261) = ( 0.0000000 0.5000000 0.0146465), wk = 0.0033223 k( 262) = ( 0.0000000 0.5000000 0.0292929), wk = 0.0033223 k( 263) = ( 0.0000000 0.5000000 0.0439394), wk = 0.0033223 k( 264) = ( 0.0000000 0.5000000 0.0585859), wk = 0.0033223 k( 265) = ( 0.0000000 0.5000000 0.0732323), wk = 0.0033223 k( 266) = ( 0.0000000 0.5000000 0.0878788), wk = 0.0033223 k( 267) = ( 0.0000000 0.5000000 0.1025253), wk = 0.0033223 k( 268) = ( 0.0000000 0.5000000 0.1171717), wk = 0.0033223 k( 269) = ( 0.0000000 0.5000000 0.1318182), wk = 0.0033223 k( 270) = ( 0.0000000 0.5000000 0.1464646), wk = 0.0033223 k( 271) = ( 0.0000000 0.5000000 0.1611111), wk = 0.0033223 k( 272) = ( 0.0000000 0.5000000 0.1757576), wk = 0.0033223 k( 273) = ( 0.0000000 0.5000000 0.1904040), wk = 0.0033223 k( 274) = ( 0.0000000 0.5000000 0.2050505), wk = 0.0033223 k( 275) = ( 0.0000000 0.5000000 0.2196970), wk = 0.0033223 k( 276) = ( 0.0000000 0.5000000 0.2343434), wk = 0.0033223 k( 277) = ( 0.0000000 0.5000000 0.2489899), wk = 0.0033223 k( 278) = ( 0.0000000 0.5000000 0.2636364), wk = 0.0033223 k( 279) = ( 0.0000000 0.5000000 0.2782828), wk = 0.0033223 k( 280) = ( 0.0000000 0.5000000 0.2929293), wk = 0.0033223 k( 281) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0033223 k( 282) = ( 0.5000000 0.5000000 0.0146465), wk = 0.0033223 k( 283) = ( 0.5000000 0.5000000 0.0292929), wk = 0.0033223 k( 284) = ( 0.5000000 0.5000000 0.0439394), wk = 0.0033223 k( 285) = ( 0.5000000 0.5000000 0.0585859), wk = 0.0033223 k( 286) = ( 0.5000000 0.5000000 0.0732323), wk = 0.0033223 k( 287) = ( 0.5000000 0.5000000 0.0878788), wk = 0.0033223 k( 288) = ( 0.5000000 0.5000000 0.1025253), wk = 0.0033223 k( 289) = ( 0.5000000 0.5000000 0.1171717), wk = 0.0033223 k( 290) = ( 0.5000000 0.5000000 0.1318182), wk = 0.0033223 k( 291) = ( 0.5000000 0.5000000 0.1464646), wk = 0.0033223 k( 292) = ( 0.5000000 0.5000000 0.1611111), wk = 0.0033223 k( 293) = ( 0.5000000 0.5000000 0.1757576), wk = 0.0033223 k( 294) = ( 0.5000000 0.5000000 0.1904040), wk = 0.0033223 k( 295) = ( 0.5000000 0.5000000 0.2050505), wk = 0.0033223 k( 296) = ( 0.5000000 0.5000000 0.2196970), wk = 0.0033223 k( 297) = ( 0.5000000 0.5000000 0.2343434), wk = 0.0033223 k( 298) = ( 0.5000000 0.5000000 0.2489899), wk = 0.0033223 k( 299) = ( 0.5000000 0.5000000 0.2636364), wk = 0.0033223 k( 300) = ( 0.5000000 0.5000000 0.2782828), wk = 0.0033223 k( 301) = ( 0.5000000 0.5000000 0.2929293), wk = 0.0033223 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033223 k( 2) = ( 0.0000000 0.0147059 0.0000000), wk = 0.0033223 k( 3) = ( 0.0000000 0.0294118 0.0000000), wk = 0.0033223 k( 4) = ( 0.0000000 0.0441177 0.0000000), wk = 0.0033223 k( 5) = ( 0.0000000 0.0588235 0.0000000), wk = 0.0033223 k( 6) = ( 0.0000000 0.0735294 -0.0000000), wk = 0.0033223 k( 7) = ( 0.0000000 0.0882353 -0.0000000), wk = 0.0033223 k( 8) = ( 0.0000000 0.1029412 0.0000000), wk = 0.0033223 k( 9) = ( 0.0000000 0.1176471 0.0000000), wk = 0.0033223 k( 10) = ( 0.0000000 0.1323529 0.0000000), wk = 0.0033223 k( 11) = ( 0.0000000 0.1470588 -0.0000000), wk = 0.0033223 k( 12) = ( 0.0000000 0.1617647 0.0000000), wk = 0.0033223 k( 13) = ( 0.0000000 0.1764706 -0.0000000), wk = 0.0033223 k( 14) = ( 0.0000000 0.1911765 0.0000000), wk = 0.0033223 k( 15) = ( 0.0000000 0.2058823 0.0000000), wk = 0.0033223 k( 16) = ( 0.0000000 0.2205882 0.0000000), wk = 0.0033223 k( 17) = ( 0.0000000 0.2352941 0.0000000), wk = 0.0033223 k( 18) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0033223 k( 19) = ( 0.0000000 0.2647059 0.0000000), wk = 0.0033223 k( 20) = ( 0.0000000 0.2794118 -0.0000000), wk = 0.0033223 k( 21) = ( 0.0000000 0.2941177 -0.0000000), wk = 0.0033223 k( 22) = ( 0.0000000 0.3088235 0.0000000), wk = 0.0033223 k( 23) = ( 0.0000000 0.3235294 0.0000000), wk = 0.0033223 k( 24) = ( 0.0000000 0.3382353 0.0000000), wk = 0.0033223 k( 25) = ( 0.0000000 0.3529412 -0.0000000), wk = 0.0033223 k( 26) = ( 0.0000000 0.3676471 0.0000000), wk = 0.0033223 k( 27) = ( 0.0000000 0.3823529 0.0000000), wk = 0.0033223 k( 28) = ( 0.0000000 0.3970588 0.0000000), wk = 0.0033223 k( 29) = ( 0.0000000 0.4117647 0.0000000), wk = 0.0033223 k( 30) = ( 0.0000000 0.4264706 0.0000000), wk = 0.0033223 k( 31) = ( 0.0000000 0.4411765 0.0000000), wk = 0.0033223 k( 32) = ( 0.0000000 0.4558823 0.0000000), wk = 0.0033223 k( 33) = ( 0.0000000 0.4705882 0.0000000), wk = 0.0033223 k( 34) = ( 0.0000000 0.4852941 -0.0000000), wk = 0.0033223 k( 35) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0033223 k( 36) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0033223 k( 37) = ( 0.0147059 0.5000000 0.0000000), wk = 0.0033223 k( 38) = ( 0.0294118 0.5000000 0.0000000), wk = 0.0033223 k( 39) = ( 0.0441177 0.5000000 0.0000000), wk = 0.0033223 k( 40) = ( 0.0588235 0.5000000 -0.0000000), wk = 0.0033223 k( 41) = ( 0.0735294 0.5000000 0.0000000), wk = 0.0033223 k( 42) = ( 0.0882353 0.5000000 0.0000000), wk = 0.0033223 k( 43) = ( 0.1029412 0.5000000 0.0000000), wk = 0.0033223 k( 44) = ( 0.1176471 0.5000000 0.0000000), wk = 0.0033223 k( 45) = ( 0.1323529 0.5000000 0.0000000), wk = 0.0033223 k( 46) = ( 0.1470588 0.5000000 0.0000000), wk = 0.0033223 k( 47) = ( 0.1617647 0.5000000 0.0000000), wk = 0.0033223 k( 48) = ( 0.1764706 0.5000000 0.0000000), wk = 0.0033223 k( 49) = ( 0.1911765 0.5000000 -0.0000000), wk = 0.0033223 k( 50) = ( 0.2058823 0.5000000 0.0000000), wk = 0.0033223 k( 51) = ( 0.2205882 0.5000000 0.0000000), wk = 0.0033223 k( 52) = ( 0.2352941 0.5000000 0.0000000), wk = 0.0033223 k( 53) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0033223 k( 54) = ( 0.2647059 0.5000000 0.0000000), wk = 0.0033223 k( 55) = ( 0.2794118 0.5000000 -0.0000000), wk = 0.0033223 k( 56) = ( 0.2941177 0.5000000 0.0000000), wk = 0.0033223 k( 57) = ( 0.3088235 0.5000000 -0.0000000), wk = 0.0033223 k( 58) = ( 0.3235294 0.5000000 0.0000000), wk = 0.0033223 k( 59) = ( 0.3382353 0.5000000 -0.0000000), wk = 0.0033223 k( 60) = ( 0.3529412 0.5000000 0.0000000), wk = 0.0033223 k( 61) = ( 0.3676471 0.5000000 -0.0000000), wk = 0.0033223 k( 62) = ( 0.3823529 0.5000000 -0.0000000), wk = 0.0033223 k( 63) = ( 0.3970588 0.5000000 -0.0000000), wk = 0.0033223 k( 64) = ( 0.4117647 0.5000000 0.0000000), wk = 0.0033223 k( 65) = ( 0.4264706 0.5000000 -0.0000000), wk = 0.0033223 k( 66) = ( 0.4411765 0.5000000 0.0000000), wk = 0.0033223 k( 67) = ( 0.4558823 0.5000000 0.0000000), wk = 0.0033223 k( 68) = ( 0.4705882 0.5000000 0.0000000), wk = 0.0033223 k( 69) = ( 0.4852941 0.5000000 0.0000000), wk = 0.0033223 k( 70) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0033223 k( 71) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0033223 k( 72) = ( 0.4895833 0.4895833 0.0000000), wk = 0.0033223 k( 73) = ( 0.4791667 0.4791667 0.0000000), wk = 0.0033223 k( 74) = ( 0.4687500 0.4687500 0.0000000), wk = 0.0033223 k( 75) = ( 0.4583333 0.4583333 0.0000000), wk = 0.0033223 k( 76) = ( 0.4479167 0.4479167 -0.0000000), wk = 0.0033223 k( 77) = ( 0.4375000 0.4375000 0.0000000), wk = 0.0033223 k( 78) = ( 0.4270833 0.4270833 -0.0000000), wk = 0.0033223 k( 79) = ( 0.4166667 0.4166667 -0.0000000), wk = 0.0033223 k( 80) = ( 0.4062500 0.4062500 0.0000000), wk = 0.0033223 k( 81) = ( 0.3958333 0.3958333 -0.0000000), wk = 0.0033223 k( 82) = ( 0.3854167 0.3854167 -0.0000000), wk = 0.0033223 k( 83) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0033223 k( 84) = ( 0.3645833 0.3645833 0.0000000), wk = 0.0033223 k( 85) = ( 0.3541667 0.3541667 -0.0000000), wk = 0.0033223 k( 86) = ( 0.3437500 0.3437500 0.0000000), wk = 0.0033223 k( 87) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0033223 k( 88) = ( 0.3229167 0.3229167 -0.0000000), wk = 0.0033223 k( 89) = ( 0.3125000 0.3125000 0.0000000), wk = 0.0033223 k( 90) = ( 0.3020833 0.3020833 0.0000000), wk = 0.0033223 k( 91) = ( 0.2916667 0.2916667 0.0000000), wk = 0.0033223 k( 92) = ( 0.2812500 0.2812500 -0.0000000), wk = 0.0033223 k( 93) = ( 0.2708333 0.2708333 0.0000000), wk = 0.0033223 k( 94) = ( 0.2604167 0.2604167 0.0000000), wk = 0.0033223 k( 95) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0033223 k( 96) = ( 0.2395833 0.2395833 0.0000000), wk = 0.0033223 k( 97) = ( 0.2291667 0.2291667 0.0000000), wk = 0.0033223 k( 98) = ( 0.2187500 0.2187500 0.0000000), wk = 0.0033223 k( 99) = ( 0.2083333 0.2083333 0.0000000), wk = 0.0033223 k( 100) = ( 0.1979167 0.1979167 -0.0000000), wk = 0.0033223 k( 101) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0033223 k( 102) = ( 0.1770833 0.1770833 0.0000000), wk = 0.0033223 k( 103) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0033223 k( 104) = ( 0.1562500 0.1562500 0.0000000), wk = 0.0033223 k( 105) = ( 0.1458333 0.1458333 0.0000000), wk = 0.0033223 k( 106) = ( 0.1354167 0.1354167 0.0000000), wk = 0.0033223 k( 107) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0033223 k( 108) = ( 0.1145833 0.1145833 -0.0000000), wk = 0.0033223 k( 109) = ( 0.1041667 0.1041667 -0.0000000), wk = 0.0033223 k( 110) = ( 0.0937500 0.0937500 -0.0000000), wk = 0.0033223 k( 111) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0033223 k( 112) = ( 0.0729167 0.0729167 0.0000000), wk = 0.0033223 k( 113) = ( 0.0625000 0.0625000 0.0000000), wk = 0.0033223 k( 114) = ( 0.0520833 0.0520833 -0.0000000), wk = 0.0033223 k( 115) = ( 0.0416667 0.0416667 -0.0000000), wk = 0.0033223 k( 116) = ( 0.0312500 0.0312500 0.0000000), wk = 0.0033223 k( 117) = ( 0.0208333 0.0208333 -0.0000000), wk = 0.0033223 k( 118) = ( 0.0104167 0.0104167 -0.0000000), wk = 0.0033223 k( 119) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033223 k( 120) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033223 k( 121) = ( 0.0000000 0.0000000 0.0250000), wk = 0.0033223 k( 122) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0033223 k( 123) = ( 0.0000000 0.0000000 0.0750000), wk = 0.0033223 k( 124) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0033223 k( 125) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0033223 k( 126) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0033223 k( 127) = ( 0.0000000 0.0000000 0.1750000), wk = 0.0033223 k( 128) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0033223 k( 129) = ( 0.0000000 0.0000000 0.2250000), wk = 0.0033223 k( 130) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0033223 k( 131) = ( 0.0000000 0.0000000 0.2750000), wk = 0.0033223 k( 132) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0033223 k( 133) = ( 0.0000000 0.0000000 0.3250000), wk = 0.0033223 k( 134) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0033223 k( 135) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0033223 k( 136) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0033223 k( 137) = ( 0.0000000 0.0000000 0.4250000), wk = 0.0033223 k( 138) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0033223 k( 139) = ( 0.0000000 0.0000000 0.4750000), wk = 0.0033223 k( 140) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033223 k( 141) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033223 k( 142) = ( 0.0000000 0.0147059 0.5000000), wk = 0.0033223 k( 143) = ( 0.0000000 0.0294118 0.5000000), wk = 0.0033223 k( 144) = ( 0.0000000 0.0441177 0.5000000), wk = 0.0033223 k( 145) = ( 0.0000000 0.0588235 0.5000000), wk = 0.0033223 k( 146) = ( 0.0000000 0.0735294 0.5000000), wk = 0.0033223 k( 147) = ( 0.0000000 0.0882353 0.5000000), wk = 0.0033223 k( 148) = ( 0.0000000 0.1029412 0.5000000), wk = 0.0033223 k( 149) = ( 0.0000000 0.1176471 0.5000000), wk = 0.0033223 k( 150) = ( 0.0000000 0.1323529 0.5000000), wk = 0.0033223 k( 151) = ( 0.0000000 0.1470588 0.5000000), wk = 0.0033223 k( 152) = ( 0.0000000 0.1617647 0.5000000), wk = 0.0033223 k( 153) = ( 0.0000000 0.1764706 0.5000000), wk = 0.0033223 k( 154) = ( 0.0000000 0.1911765 0.5000000), wk = 0.0033223 k( 155) = ( 0.0000000 0.2058823 0.5000000), wk = 0.0033223 k( 156) = ( 0.0000000 0.2205882 0.5000000), wk = 0.0033223 k( 157) = ( 0.0000000 0.2352941 0.5000000), wk = 0.0033223 k( 158) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0033223 k( 159) = ( 0.0000000 0.2647059 0.5000000), wk = 0.0033223 k( 160) = ( 0.0000000 0.2794118 0.5000000), wk = 0.0033223 k( 161) = ( 0.0000000 0.2941177 0.5000000), wk = 0.0033223 k( 162) = ( 0.0000000 0.3088235 0.5000000), wk = 0.0033223 k( 163) = ( 0.0000000 0.3235294 0.5000000), wk = 0.0033223 k( 164) = ( 0.0000000 0.3382353 0.5000000), wk = 0.0033223 k( 165) = ( 0.0000000 0.3529412 0.5000000), wk = 0.0033223 k( 166) = ( 0.0000000 0.3676471 0.5000000), wk = 0.0033223 k( 167) = ( 0.0000000 0.3823529 0.5000000), wk = 0.0033223 k( 168) = ( 0.0000000 0.3970588 0.5000000), wk = 0.0033223 k( 169) = ( 0.0000000 0.4117647 0.5000000), wk = 0.0033223 k( 170) = ( 0.0000000 0.4264706 0.5000000), wk = 0.0033223 k( 171) = ( 0.0000000 0.4411765 0.5000000), wk = 0.0033223 k( 172) = ( 0.0000000 0.4558823 0.5000000), wk = 0.0033223 k( 173) = ( 0.0000000 0.4705882 0.5000000), wk = 0.0033223 k( 174) = ( 0.0000000 0.4852941 0.5000000), wk = 0.0033223 k( 175) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0033223 k( 176) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0033223 k( 177) = ( 0.0147059 0.5000000 0.5000000), wk = 0.0033223 k( 178) = ( 0.0294118 0.5000000 0.5000000), wk = 0.0033223 k( 179) = ( 0.0441177 0.5000000 0.5000000), wk = 0.0033223 k( 180) = ( 0.0588235 0.5000000 0.5000000), wk = 0.0033223 k( 181) = ( 0.0735294 0.5000000 0.5000000), wk = 0.0033223 k( 182) = ( 0.0882353 0.5000000 0.5000000), wk = 0.0033223 k( 183) = ( 0.1029412 0.5000000 0.5000000), wk = 0.0033223 k( 184) = ( 0.1176471 0.5000000 0.5000000), wk = 0.0033223 k( 185) = ( 0.1323529 0.5000000 0.5000000), wk = 0.0033223 k( 186) = ( 0.1470588 0.5000000 0.5000000), wk = 0.0033223 k( 187) = ( 0.1617647 0.5000000 0.5000000), wk = 0.0033223 k( 188) = ( 0.1764706 0.5000000 0.5000000), wk = 0.0033223 k( 189) = ( 0.1911765 0.5000000 0.5000000), wk = 0.0033223 k( 190) = ( 0.2058823 0.5000000 0.5000000), wk = 0.0033223 k( 191) = ( 0.2205882 0.5000000 0.5000000), wk = 0.0033223 k( 192) = ( 0.2352941 0.5000000 0.5000000), wk = 0.0033223 k( 193) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0033223 k( 194) = ( 0.2647059 0.5000000 0.5000000), wk = 0.0033223 k( 195) = ( 0.2794118 0.5000000 0.5000000), wk = 0.0033223 k( 196) = ( 0.2941177 0.5000000 0.5000000), wk = 0.0033223 k( 197) = ( 0.3088235 0.5000000 0.5000000), wk = 0.0033223 k( 198) = ( 0.3235294 0.5000000 0.5000000), wk = 0.0033223 k( 199) = ( 0.3382353 0.5000000 0.5000000), wk = 0.0033223 k( 200) = ( 0.3529412 0.5000000 0.5000000), wk = 0.0033223 k( 201) = ( 0.3676471 0.5000000 0.5000000), wk = 0.0033223 k( 202) = ( 0.3823529 0.5000000 0.5000000), wk = 0.0033223 k( 203) = ( 0.3970588 0.5000000 0.5000000), wk = 0.0033223 k( 204) = ( 0.4117647 0.5000000 0.5000000), wk = 0.0033223 k( 205) = ( 0.4264706 0.5000000 0.5000000), wk = 0.0033223 k( 206) = ( 0.4411765 0.5000000 0.5000000), wk = 0.0033223 k( 207) = ( 0.4558823 0.5000000 0.5000000), wk = 0.0033223 k( 208) = ( 0.4705882 0.5000000 0.5000000), wk = 0.0033223 k( 209) = ( 0.4852941 0.5000000 0.5000000), wk = 0.0033223 k( 210) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033223 k( 211) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033223 k( 212) = ( 0.4895833 0.4895833 0.5000000), wk = 0.0033223 k( 213) = ( 0.4791667 0.4791667 0.5000000), wk = 0.0033223 k( 214) = ( 0.4687500 0.4687500 0.5000000), wk = 0.0033223 k( 215) = ( 0.4583333 0.4583333 0.5000000), wk = 0.0033223 k( 216) = ( 0.4479167 0.4479167 0.5000000), wk = 0.0033223 k( 217) = ( 0.4375000 0.4375000 0.5000000), wk = 0.0033223 k( 218) = ( 0.4270833 0.4270833 0.5000000), wk = 0.0033223 k( 219) = ( 0.4166667 0.4166667 0.5000000), wk = 0.0033223 k( 220) = ( 0.4062500 0.4062500 0.5000000), wk = 0.0033223 k( 221) = ( 0.3958333 0.3958333 0.5000000), wk = 0.0033223 k( 222) = ( 0.3854167 0.3854167 0.5000000), wk = 0.0033223 k( 223) = ( 0.3750000 0.3750000 0.5000000), wk = 0.0033223 k( 224) = ( 0.3645833 0.3645833 0.5000000), wk = 0.0033223 k( 225) = ( 0.3541667 0.3541667 0.5000000), wk = 0.0033223 k( 226) = ( 0.3437500 0.3437500 0.5000000), wk = 0.0033223 k( 227) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033223 k( 228) = ( 0.3229167 0.3229167 0.5000000), wk = 0.0033223 k( 229) = ( 0.3125000 0.3125000 0.5000000), wk = 0.0033223 k( 230) = ( 0.3020833 0.3020833 0.5000000), wk = 0.0033223 k( 231) = ( 0.2916667 0.2916667 0.5000000), wk = 0.0033223 k( 232) = ( 0.2812500 0.2812500 0.5000000), wk = 0.0033223 k( 233) = ( 0.2708333 0.2708333 0.5000000), wk = 0.0033223 k( 234) = ( 0.2604167 0.2604167 0.5000000), wk = 0.0033223 k( 235) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0033223 k( 236) = ( 0.2395833 0.2395833 0.5000000), wk = 0.0033223 k( 237) = ( 0.2291667 0.2291667 0.5000000), wk = 0.0033223 k( 238) = ( 0.2187500 0.2187500 0.5000000), wk = 0.0033223 k( 239) = ( 0.2083333 0.2083333 0.5000000), wk = 0.0033223 k( 240) = ( 0.1979167 0.1979167 0.5000000), wk = 0.0033223 k( 241) = ( 0.1875000 0.1875000 0.5000000), wk = 0.0033223 k( 242) = ( 0.1770833 0.1770833 0.5000000), wk = 0.0033223 k( 243) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0033223 k( 244) = ( 0.1562500 0.1562500 0.5000000), wk = 0.0033223 k( 245) = ( 0.1458333 0.1458333 0.5000000), wk = 0.0033223 k( 246) = ( 0.1354167 0.1354167 0.5000000), wk = 0.0033223 k( 247) = ( 0.1250000 0.1250000 0.5000000), wk = 0.0033223 k( 248) = ( 0.1145833 0.1145833 0.5000000), wk = 0.0033223 k( 249) = ( 0.1041667 0.1041667 0.5000000), wk = 0.0033223 k( 250) = ( 0.0937500 0.0937500 0.5000000), wk = 0.0033223 k( 251) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0033223 k( 252) = ( 0.0729167 0.0729167 0.5000000), wk = 0.0033223 k( 253) = ( 0.0625000 0.0625000 0.5000000), wk = 0.0033223 k( 254) = ( 0.0520833 0.0520833 0.5000000), wk = 0.0033223 k( 255) = ( 0.0416667 0.0416667 0.5000000), wk = 0.0033223 k( 256) = ( 0.0312500 0.0312500 0.5000000), wk = 0.0033223 k( 257) = ( 0.0208333 0.0208333 0.5000000), wk = 0.0033223 k( 258) = ( 0.0104167 0.0104167 0.5000000), wk = 0.0033223 k( 259) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033223 k( 260) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0033223 k( 261) = ( 0.0000000 0.5000000 0.0250000), wk = 0.0033223 k( 262) = ( 0.0000000 0.5000000 0.0500000), wk = 0.0033223 k( 263) = ( 0.0000000 0.5000000 0.0750000), wk = 0.0033223 k( 264) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0033223 k( 265) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0033223 k( 266) = ( 0.0000000 0.5000000 0.1500000), wk = 0.0033223 k( 267) = ( 0.0000000 0.5000000 0.1750000), wk = 0.0033223 k( 268) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0033223 k( 269) = ( 0.0000000 0.5000000 0.2250000), wk = 0.0033223 k( 270) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0033223 k( 271) = ( 0.0000000 0.5000000 0.2750000), wk = 0.0033223 k( 272) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0033223 k( 273) = ( 0.0000000 0.5000000 0.3250000), wk = 0.0033223 k( 274) = ( 0.0000000 0.5000000 0.3500000), wk = 0.0033223 k( 275) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0033223 k( 276) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0033223 k( 277) = ( 0.0000000 0.5000000 0.4250000), wk = 0.0033223 k( 278) = ( 0.0000000 0.5000000 0.4500000), wk = 0.0033223 k( 279) = ( 0.0000000 0.5000000 0.4750000), wk = 0.0033223 k( 280) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0033223 k( 281) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0033223 k( 282) = ( 0.5000000 0.5000000 0.0250000), wk = 0.0033223 k( 283) = ( 0.5000000 0.5000000 0.0500000), wk = 0.0033223 k( 284) = ( 0.5000000 0.5000000 0.0750000), wk = 0.0033223 k( 285) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0033223 k( 286) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0033223 k( 287) = ( 0.5000000 0.5000000 0.1500000), wk = 0.0033223 k( 288) = ( 0.5000000 0.5000000 0.1750000), wk = 0.0033223 k( 289) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0033223 k( 290) = ( 0.5000000 0.5000000 0.2250000), wk = 0.0033223 k( 291) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0033223 k( 292) = ( 0.5000000 0.5000000 0.2750000), wk = 0.0033223 k( 293) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0033223 k( 294) = ( 0.5000000 0.5000000 0.3250000), wk = 0.0033223 k( 295) = ( 0.5000000 0.5000000 0.3500000), wk = 0.0033223 k( 296) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0033223 k( 297) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0033223 k( 298) = ( 0.5000000 0.5000000 0.4250000), wk = 0.0033223 k( 299) = ( 0.5000000 0.5000000 0.4500000), wk = 0.0033223 k( 300) = ( 0.5000000 0.5000000 0.4750000), wk = 0.0033223 k( 301) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033223 Dense grid: 147437 G-vectors FFT dimensions: ( 60, 60, 96) Smooth grid: 70633 G-vectors FFT dimensions: ( 45, 45, 75) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.44 Mb ( 496, 58) NL pseudopotentials 0.48 Mb ( 248, 126) Each V/rho on FFT grid 0.16 Mb ( 10800) Each G-vector array 0.03 Mb ( 4093) G-vector shells 0.01 Mb ( 1946) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.76 Mb ( 496, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.22 Mb ( 126, 2, 58) Check: negative/imaginary core charge= -0.000005 0.000000 The potential is recalculated from file : ./BaMgGe.save/charge-density.dat Starting wfc are 56 randomized atomic wfcs + 2 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.9 secs Computing kpt #: 2 total cpu time spent up to now is 3.5 secs Computing kpt #: 3 total cpu time spent up to now is 4.2 secs Computing kpt #: 4 total cpu time spent up to now is 4.9 secs Computing kpt #: 5 total cpu time spent up to now is 5.6 secs Computing kpt #: 6 total cpu time spent up to now is 6.4 secs Computing kpt #: 7 total cpu time spent up to now is 7.1 secs Computing kpt #: 8 total cpu time spent up to now is 7.9 secs Computing kpt #: 9 total cpu time spent up to now is 8.8 secs Computing kpt #: 10 total cpu time spent up to now is 9.7 secs Computing kpt #: 11 total cpu time spent up to now is 10.5 secs Computing kpt #: 12 total cpu time spent up to now is 11.5 secs Computing kpt #: 13 total cpu time spent up to now is 12.4 secs Computing kpt #: 14 total cpu time spent up to now is 13.2 secs Computing kpt #: 15 total cpu time spent up to now is 14.0 secs Computing kpt #: 16 total cpu time spent up to now is 14.9 secs Computing kpt #: 17 total cpu time spent up to now is 15.7 secs Computing kpt #: 18 total cpu time spent up to now is 16.5 secs Computing kpt #: 19 total cpu time spent up to now is 17.4 secs Computing kpt #: 20 total cpu time spent up to now is 18.3 secs Computing kpt #: 21 total cpu time spent up to now is 19.1 secs Computing kpt #: 22 total cpu time spent up to now is 20.0 secs Computing kpt #: 23 total cpu time spent up to now is 20.8 secs Computing kpt #: 24 total cpu time spent up to now is 21.6 secs Computing kpt #: 25 total cpu time spent up to now is 22.4 secs Computing kpt #: 26 total cpu time spent up to now is 23.3 secs Computing kpt #: 27 total cpu time spent up to now is 24.1 secs Computing kpt #: 28 total cpu time spent up to now is 24.9 secs Computing kpt #: 29 total cpu time spent up to now is 25.7 secs Computing kpt #: 30 total cpu time spent up to now is 26.4 secs Computing kpt #: 31 total cpu time spent up to now is 27.1 secs Computing kpt #: 32 total cpu time spent up to now is 27.8 secs Computing kpt #: 33 total cpu time spent up to now is 28.6 secs Computing kpt #: 34 total cpu time spent up to now is 29.4 secs Computing kpt #: 35 total cpu time spent up to now is 30.1 secs Computing kpt #: 36 total cpu time spent up to now is 30.8 secs Computing kpt #: 37 total cpu time spent up to now is 31.7 secs Computing kpt #: 38 total cpu time spent up to now is 32.6 secs Computing kpt #: 39 total cpu time spent up to now is 33.5 secs Computing kpt #: 40 total cpu time spent up to now is 34.4 secs Computing kpt #: 41 total cpu time spent up to now is 35.4 secs Computing kpt #: 42 total cpu time spent up to now is 36.5 secs Computing kpt #: 43 total cpu time spent up to now is 37.4 secs Computing kpt #: 44 total cpu time spent up to now is 38.3 secs Computing kpt #: 45 total cpu time spent up to now is 39.4 secs Computing kpt #: 46 total cpu time spent up to now is 40.5 secs Computing kpt #: 47 total cpu time spent up to now is 41.7 secs Computing kpt #: 48 total cpu time spent up to now is 42.8 secs Computing kpt #: 49 total cpu time spent up to now is 43.9 secs Computing kpt #: 50 total cpu time spent up to now is 45.1 secs Computing kpt #: 51 total cpu time spent up to now is 46.2 secs Computing kpt #: 52 total cpu time spent up to now is 47.4 secs Computing kpt #: 53 total cpu time spent up to now is 48.5 secs Computing kpt #: 54 total cpu time spent up to now is 49.6 secs Computing kpt #: 55 total cpu time spent up to now is 50.7 secs Computing kpt #: 56 total cpu time spent up to now is 51.9 secs Computing kpt #: 57 total cpu time spent up to now is 53.0 secs Computing kpt #: 58 total cpu time spent up to now is 54.2 secs Computing kpt #: 59 total cpu time spent up to now is 55.5 secs Computing kpt #: 60 total cpu time spent up to now is 56.7 secs Computing kpt #: 61 total cpu time spent up to now is 58.0 secs Computing kpt #: 62 total cpu time spent up to now is 59.7 secs Computing kpt #: 63 total cpu time spent up to now is 61.1 secs Computing kpt #: 64 total cpu time spent up to now is 62.8 secs Computing kpt #: 65 total cpu time spent up to now is 64.5 secs Computing kpt #: 66 total cpu time spent up to now is 66.2 secs Computing kpt #: 67 total cpu time spent up to now is 68.0 secs Computing kpt #: 68 total cpu time spent up to now is 69.8 secs Computing kpt #: 69 total cpu time spent up to now is 72.0 secs Computing kpt #: 70 total cpu time spent up to now is 73.1 secs Computing kpt #: 71 total cpu time spent up to now is 74.1 secs Computing kpt #: 72 total cpu time spent up to now is 76.2 secs Computing kpt #: 73 total cpu time spent up to now is 77.6 secs Computing kpt #: 74 total cpu time spent up to now is 78.8 secs Computing kpt #: 75 total cpu time spent up to now is 80.1 secs Computing kpt #: 76 total cpu time spent up to now is 81.7 secs Computing kpt #: 77 total cpu time spent up to now is 82.9 secs Computing kpt #: 78 total cpu time spent up to now is 84.0 secs Computing kpt #: 79 total cpu time spent up to now is 85.0 secs Computing kpt #: 80 total cpu time spent up to now is 85.9 secs Computing kpt #: 81 total cpu time spent up to now is 86.8 secs Computing kpt #: 82 total cpu time spent up to now is 87.8 secs Computing kpt #: 83 total cpu time spent up to now is 88.7 secs Computing kpt #: 84 total cpu time spent up to now is 89.7 secs Computing kpt #: 85 total cpu time spent up to now is 90.8 secs Computing kpt #: 86 total cpu time spent up to now is 91.9 secs Computing kpt #: 87 total cpu time spent up to now is 93.1 secs Computing kpt #: 88 total cpu time spent up to now is 94.1 secs Computing kpt #: 89 total cpu time spent up to now is 95.0 secs Computing kpt #: 90 total cpu time spent up to now is 95.9 secs Computing kpt #: 91 total cpu time spent up to now is 96.7 secs Computing kpt #: 92 total cpu time spent up to now is 97.5 secs Computing kpt #: 93 total cpu time spent up to now is 98.4 secs Computing kpt #: 94 total cpu time spent up to now is 99.2 secs Computing kpt #: 95 total cpu time spent up to now is 99.9 secs Computing kpt #: 96 total cpu time spent up to now is 100.7 secs Computing kpt #: 97 total cpu time spent up to now is 101.5 secs Computing kpt #: 98 total cpu time spent up to now is 102.3 secs Computing kpt #: 99 total cpu time spent up to now is 103.2 secs Computing kpt #: 100 total cpu time spent up to now is 104.0 secs Computing kpt #: 101 total cpu time spent up to now is 104.8 secs Computing kpt #: 102 total cpu time spent up to now is 105.7 secs Computing kpt #: 103 total cpu time spent up to now is 106.6 secs Computing kpt #: 104 total cpu time spent up to now is 107.4 secs Computing kpt #: 105 total cpu time spent up to now is 108.3 secs Computing kpt #: 106 total cpu time spent up to now is 109.2 secs Computing kpt #: 107 total cpu time spent up to now is 110.1 secs Computing kpt #: 108 total cpu time spent up to now is 111.0 secs Computing kpt #: 109 total cpu time spent up to now is 111.8 secs Computing kpt #: 110 total cpu time spent up to now is 112.5 secs Computing kpt #: 111 total cpu time spent up to now is 113.2 secs Computing kpt #: 112 total cpu time spent up to now is 113.9 secs Computing kpt #: 113 total cpu time spent up to now is 114.6 secs Computing kpt #: 114 total cpu time spent up to now is 115.3 secs Computing kpt #: 115 total cpu time spent up to now is 116.0 secs Computing kpt #: 116 total cpu time spent up to now is 116.7 secs Computing kpt #: 117 total cpu time spent up to now is 117.4 secs Computing kpt #: 118 total cpu time spent up to now is 118.1 secs Computing kpt #: 119 total cpu time spent up to now is 118.8 secs Computing kpt #: 120 total cpu time spent up to now is 119.6 secs Computing kpt #: 121 total cpu time spent up to now is 120.3 secs Computing kpt #: 122 total cpu time spent up to now is 121.0 secs Computing kpt #: 123 total cpu time spent up to now is 121.6 secs Computing kpt #: 124 total cpu time spent up to now is 122.3 secs Computing kpt #: 125 total cpu time spent up to now is 123.0 secs Computing kpt #: 126 total cpu time spent up to now is 123.6 secs Computing kpt #: 127 total cpu time spent up to now is 124.3 secs Computing kpt #: 128 total cpu time spent up to now is 125.0 secs Computing kpt #: 129 total cpu time spent up to now is 125.6 secs Computing kpt #: 130 total cpu time spent up to now is 126.5 secs Computing kpt #: 131 total cpu time spent up to now is 127.3 secs Computing kpt #: 132 total cpu time spent up to now is 128.1 secs Computing kpt #: 133 total cpu time spent up to now is 128.8 secs Computing kpt #: 134 total cpu time spent up to now is 129.5 secs Computing kpt #: 135 total cpu time spent up to now is 130.2 secs Computing kpt #: 136 total cpu time spent up to now is 130.9 secs Computing kpt #: 137 total cpu time spent up to now is 131.6 secs Computing kpt #: 138 total cpu time spent up to now is 132.3 secs Computing kpt #: 139 total cpu time spent up to now is 133.0 secs Computing kpt #: 140 total cpu time spent up to now is 133.7 secs Computing kpt #: 141 total cpu time spent up to now is 134.4 secs Computing kpt #: 142 total cpu time spent up to now is 135.1 secs Computing kpt #: 143 total cpu time spent up to now is 135.8 secs Computing kpt #: 144 total cpu time spent up to now is 136.5 secs Computing kpt #: 145 total cpu time spent up to now is 137.2 secs Computing kpt #: 146 total cpu time spent up to now is 138.1 secs Computing kpt #: 147 total cpu time spent up to now is 138.9 secs Computing kpt #: 148 total cpu time spent up to now is 139.8 secs Computing kpt #: 149 total cpu time spent up to now is 140.6 secs Computing kpt #: 150 total cpu time spent up to now is 141.3 secs Computing kpt #: 151 total cpu time spent up to now is 142.2 secs Computing kpt #: 152 total cpu time spent up to now is 143.0 secs Computing kpt #: 153 total cpu time spent up to now is 143.8 secs Computing kpt #: 154 total cpu time spent up to now is 144.7 secs Computing kpt #: 155 total cpu time spent up to now is 145.5 secs Computing kpt #: 156 total cpu time spent up to now is 146.4 secs Computing kpt #: 157 total cpu time spent up to now is 147.2 secs Computing kpt #: 158 total cpu time spent up to now is 148.1 secs Computing kpt #: 159 total cpu time spent up to now is 148.9 secs Computing kpt #: 160 total cpu time spent up to now is 149.7 secs Computing kpt #: 161 total cpu time spent up to now is 150.5 secs Computing kpt #: 162 total cpu time spent up to now is 151.3 secs Computing kpt #: 163 total cpu time spent up to now is 152.2 secs Computing kpt #: 164 total cpu time spent up to now is 153.0 secs Computing kpt #: 165 total cpu time spent up to now is 153.8 secs Computing kpt #: 166 total cpu time spent up to now is 154.6 secs Computing kpt #: 167 total cpu time spent up to now is 155.5 secs Computing kpt #: 168 total cpu time spent up to now is 156.3 secs Computing kpt #: 169 total cpu time spent up to now is 157.1 secs Computing kpt #: 170 total cpu time spent up to now is 158.0 secs Computing kpt #: 171 total cpu time spent up to now is 158.9 secs Computing kpt #: 172 total cpu time spent up to now is 159.9 secs Computing kpt #: 173 total cpu time spent up to now is 160.8 secs Computing kpt #: 174 total cpu time spent up to now is 161.8 secs Computing kpt #: 175 total cpu time spent up to now is 162.6 secs Computing kpt #: 176 total cpu time spent up to now is 163.5 secs Computing kpt #: 177 total cpu time spent up to now is 164.6 secs Computing kpt #: 178 total cpu time spent up to now is 165.8 secs Computing kpt #: 179 total cpu time spent up to now is 167.0 secs Computing kpt #: 180 total cpu time spent up to now is 168.2 secs Computing kpt #: 181 total cpu time spent up to now is 169.5 secs Computing kpt #: 182 total cpu time spent up to now is 170.7 secs Computing kpt #: 183 total cpu time spent up to now is 171.8 secs Computing kpt #: 184 total cpu time spent up to now is 172.9 secs Computing kpt #: 185 total cpu time spent up to now is 174.1 secs Computing kpt #: 186 total cpu time spent up to now is 175.0 secs Computing kpt #: 187 total cpu time spent up to now is 175.9 secs Computing kpt #: 188 total cpu time spent up to now is 176.8 secs Computing kpt #: 189 total cpu time spent up to now is 177.6 secs Computing kpt #: 190 total cpu time spent up to now is 178.5 secs Computing kpt #: 191 total cpu time spent up to now is 179.4 secs Computing kpt #: 192 total cpu time spent up to now is 180.2 secs Computing kpt #: 193 total cpu time spent up to now is 181.1 secs Computing kpt #: 194 total cpu time spent up to now is 181.9 secs Computing kpt #: 195 total cpu time spent up to now is 182.8 secs Computing kpt #: 196 total cpu time spent up to now is 183.6 secs Computing kpt #: 197 total cpu time spent up to now is 184.4 secs Computing kpt #: 198 total cpu time spent up to now is 185.2 secs Computing kpt #: 199 total cpu time spent up to now is 186.1 secs Computing kpt #: 200 total cpu time spent up to now is 186.9 secs Computing kpt #: 201 total cpu time spent up to now is 187.8 secs Computing kpt #: 202 total cpu time spent up to now is 188.7 secs Computing kpt #: 203 total cpu time spent up to now is 189.6 secs Computing kpt #: 204 total cpu time spent up to now is 190.5 secs Computing kpt #: 205 total cpu time spent up to now is 191.4 secs Computing kpt #: 206 total cpu time spent up to now is 192.3 secs Computing kpt #: 207 total cpu time spent up to now is 193.2 secs Computing kpt #: 208 total cpu time spent up to now is 194.1 secs Computing kpt #: 209 total cpu time spent up to now is 195.0 secs Computing kpt #: 210 total cpu time spent up to now is 195.8 secs Computing kpt #: 211 total cpu time spent up to now is 196.6 secs Computing kpt #: 212 total cpu time spent up to now is 197.5 secs Computing kpt #: 213 total cpu time spent up to now is 198.3 secs Computing kpt #: 214 total cpu time spent up to now is 199.1 secs Computing kpt #: 215 total cpu time spent up to now is 199.9 secs Computing kpt #: 216 total cpu time spent up to now is 200.6 secs Computing kpt #: 217 total cpu time spent up to now is 201.2 secs Computing kpt #: 218 total cpu time spent up to now is 201.9 secs Computing kpt #: 219 total cpu time spent up to now is 202.7 secs Computing kpt #: 220 total cpu time spent up to now is 203.6 secs Computing kpt #: 221 total cpu time spent up to now is 204.4 secs Computing kpt #: 222 total cpu time spent up to now is 205.3 secs Computing kpt #: 223 total cpu time spent up to now is 206.1 secs Computing kpt #: 224 total cpu time spent up to now is 207.0 secs Computing kpt #: 225 total cpu time spent up to now is 207.9 secs Computing kpt #: 226 total cpu time spent up to now is 208.7 secs Computing kpt #: 227 total cpu time spent up to now is 209.6 secs Computing kpt #: 228 total cpu time spent up to now is 210.5 secs Computing kpt #: 229 total cpu time spent up to now is 211.3 secs Computing kpt #: 230 total cpu time spent up to now is 213.1 secs Computing kpt #: 231 total cpu time spent up to now is 214.0 secs Computing kpt #: 232 total cpu time spent up to now is 214.9 secs Computing kpt #: 233 total cpu time spent up to now is 215.8 secs Computing kpt #: 234 total cpu time spent up to now is 216.7 secs Computing kpt #: 235 total cpu time spent up to now is 217.7 secs Computing kpt #: 236 total cpu time spent up to now is 218.6 secs Computing kpt #: 237 total cpu time spent up to now is 219.6 secs Computing kpt #: 238 total cpu time spent up to now is 220.5 secs Computing kpt #: 239 total cpu time spent up to now is 221.5 secs Computing kpt #: 240 total cpu time spent up to now is 222.4 secs Computing kpt #: 241 total cpu time spent up to now is 223.2 secs Computing kpt #: 242 total cpu time spent up to now is 224.0 secs Computing kpt #: 243 total cpu time spent up to now is 224.9 secs Computing kpt #: 244 total cpu time spent up to now is 225.8 secs Computing kpt #: 245 total cpu time spent up to now is 226.6 secs Computing kpt #: 246 total cpu time spent up to now is 227.5 secs Computing kpt #: 247 total cpu time spent up to now is 228.3 secs Computing kpt #: 248 total cpu time spent up to now is 229.2 secs Computing kpt #: 249 total cpu time spent up to now is 230.1 secs Computing kpt #: 250 total cpu time spent up to now is 230.9 secs Computing kpt #: 251 total cpu time spent up to now is 231.8 secs Computing kpt #: 252 total cpu time spent up to now is 232.6 secs Computing kpt #: 253 total cpu time spent up to now is 233.3 secs Computing kpt #: 254 total cpu time spent up to now is 234.1 secs Computing kpt #: 255 total cpu time spent up to now is 234.8 secs Computing kpt #: 256 total cpu time spent up to now is 235.5 secs Computing kpt #: 257 total cpu time spent up to now is 236.2 secs Computing kpt #: 258 total cpu time spent up to now is 237.1 secs Computing kpt #: 259 total cpu time spent up to now is 237.9 secs Computing kpt #: 260 total cpu time spent up to now is 238.6 secs Computing kpt #: 261 total cpu time spent up to now is 239.3 secs Computing kpt #: 262 total cpu time spent up to now is 240.2 secs Computing kpt #: 263 total cpu time spent up to now is 241.1 secs Computing kpt #: 264 total cpu time spent up to now is 241.9 secs Computing kpt #: 265 total cpu time spent up to now is 242.8 secs Computing kpt #: 266 total cpu time spent up to now is 243.7 secs Computing kpt #: 267 total cpu time spent up to now is 244.5 secs Computing kpt #: 268 total cpu time spent up to now is 245.4 secs Computing kpt #: 269 total cpu time spent up to now is 246.3 secs Computing kpt #: 270 total cpu time spent up to now is 247.2 secs Computing kpt #: 271 total cpu time spent up to now is 248.1 secs Computing kpt #: 272 total cpu time spent up to now is 249.0 secs Computing kpt #: 273 total cpu time spent up to now is 249.8 secs Computing kpt #: 274 total cpu time spent up to now is 250.6 secs Computing kpt #: 275 total cpu time spent up to now is 251.4 secs Computing kpt #: 276 total cpu time spent up to now is 252.2 secs Computing kpt #: 277 total cpu time spent up to now is 253.0 secs Computing kpt #: 278 total cpu time spent up to now is 253.8 secs Computing kpt #: 279 total cpu time spent up to now is 254.6 secs Computing kpt #: 280 total cpu time spent up to now is 255.5 secs Computing kpt #: 281 total cpu time spent up to now is 256.6 secs Computing kpt #: 282 total cpu time spent up to now is 257.7 secs Computing kpt #: 283 total cpu time spent up to now is 258.7 secs Computing kpt #: 284 total cpu time spent up to now is 259.7 secs Computing kpt #: 285 total cpu time spent up to now is 260.6 secs Computing kpt #: 286 total cpu time spent up to now is 261.5 secs Computing kpt #: 287 total cpu time spent up to now is 262.3 secs Computing kpt #: 288 total cpu time spent up to now is 263.1 secs Computing kpt #: 289 total cpu time spent up to now is 263.8 secs Computing kpt #: 290 total cpu time spent up to now is 264.4 secs Computing kpt #: 291 total cpu time spent up to now is 265.1 secs Computing kpt #: 292 total cpu time spent up to now is 265.7 secs Computing kpt #: 293 total cpu time spent up to now is 266.4 secs Computing kpt #: 294 total cpu time spent up to now is 267.0 secs Computing kpt #: 295 total cpu time spent up to now is 267.6 secs Computing kpt #: 296 total cpu time spent up to now is 268.3 secs Computing kpt #: 297 total cpu time spent up to now is 268.9 secs Computing kpt #: 298 total cpu time spent up to now is 269.6 secs Computing kpt #: 299 total cpu time spent up to now is 270.2 secs Computing kpt #: 300 total cpu time spent up to now is 270.9 secs Computing kpt #: 301 total cpu time spent up to now is 271.7 secs ethr = 2.08E-08, avg # of iterations = 29.1 total cpu time spent up to now is 271.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 8825 PWs) bands (ev): -68.1312 -68.1312 -68.1300 -68.1300 -35.0744 -35.0744 -35.0678 -35.0678 -34.7872 -34.7872 -34.7863 -34.7863 -34.7839 -34.7839 -34.7757 -34.7757 -20.6160 -20.6160 -20.5449 -20.5449 -7.3525 -7.3525 -7.1500 -7.1500 -5.4692 -5.4692 -5.2928 -5.2928 -5.1780 -5.1780 -5.0356 -5.0356 -1.0354 -1.0354 0.0449 0.0449 4.6163 4.6163 6.3703 6.3703 6.4780 6.4780 6.8679 6.8679 7.0491 7.0491 7.6077 7.6077 7.7654 7.7654 8.4331 8.4331 8.5574 8.5574 8.6814 8.6814 9.7765 9.7765 k = 0.0000 0.0147-0.0000 ( 8821 PWs) bands (ev): -68.1312 -68.1312 -68.1300 -68.1300 -35.0744 -35.0744 -35.0678 -35.0678 -34.7872 -34.7872 -34.7863 -34.7863 -34.7839 -34.7839 -34.7757 -34.7757 -20.6160 -20.6160 -20.5449 -20.5449 -7.3525 -7.3525 -7.1502 -7.1502 -5.4691 -5.4691 -5.2934 -5.2934 -5.1778 -5.1778 -5.0360 -5.0360 -1.0340 -1.0340 0.0454 0.0454 4.6177 4.6177 6.3616 6.3616 6.4694 6.4694 6.8732 6.8732 7.0600 7.0600 7.5936 7.5936 7.7495 7.7495 8.4511 8.4511 8.5697 8.5697 8.6830 8.6830 9.7711 9.7711 k = 0.0000 0.0294-0.0000 ( 8811 PWs) bands (ev): -68.1312 -68.1312 -68.1300 -68.1300 -35.0743 -35.0743 -35.0678 -35.0678 -34.7872 -34.7872 -34.7862 -34.7862 -34.7839 -34.7839 -34.7757 -34.7757 -20.6158 -20.6158 -20.5450 -20.5450 -7.3525 -7.3525 -7.1509 -7.1509 -5.4689 -5.4689 -5.2951 -5.2951 -5.1770 -5.1770 -5.0373 -5.0373 -1.0297 -1.0297 0.0470 0.0470 4.6221 4.6221 6.3307 6.3307 6.4538 6.4538 6.8855 6.8855 7.0915 7.0915 7.5465 7.5465 7.7158 7.7158 8.4864 8.4864 8.6148 8.6148 8.6886 8.6886 9.7554 9.7554 k = 0.0000 0.0441-0.0000 ( 8789 PWs) bands (ev): -68.1312 -68.1312 -68.1300 -68.1300 -35.0743 -35.0743 -35.0678 -35.0678 -34.7871 -34.7871 -34.7862 -34.7862 -34.7839 -34.7839 -34.7757 -34.7757 -20.6155 -20.6155 -20.5450 -20.5450 -7.3525 -7.3525 -7.1521 -7.1521 -5.4685 -5.4685 -5.2979 -5.2979 -5.1758 -5.1758 -5.0395 -5.0395 -1.0226 -1.0226 0.0496 0.0496 4.6293 4.6293 6.2738 6.2738 6.4445 6.4445 6.8991 6.8991 7.1394 7.1394 7.4651 7.4651 7.6837 7.6837 8.5156 8.5156 8.6776 8.6776 8.7183 8.7183 9.7311 9.7311 k = 0.0000 0.0588-0.0000 ( 8791 PWs) bands (ev): -68.1312 -68.1312 -68.1300 -68.1300 -35.0743 -35.0743 -35.0678 -35.0678 -34.7871 -34.7871 -34.7862 -34.7862 -34.7839 -34.7839 -34.7758 -34.7758 -20.6151 -20.6151 -20.5452 -20.5452 -7.3525 -7.3525 -7.1537 -7.1537 -5.4681 -5.4681 -5.3016 -5.3016 -5.1743 -5.1743 -5.0424 -5.0424 -1.0128 -1.0128 0.0532 0.0532 4.6394 4.6394 6.1982 6.1982 6.4420 6.4420 6.9122 6.9122 7.1980 7.1980 7.3608 7.3608 7.6550 7.6550 8.5404 8.5404 8.6921 8.6921 8.8222 8.8222 9.6998 9.6998 k = 0.0000 0.0735-0.0000 ( 8783 PWs) bands (ev): -68.1312 -68.1312 -68.1300 -68.1300 -35.0742 -35.0742 -35.0679 -35.0679 -34.7870 -34.7870 -34.7862 -34.7862 -34.7839 -34.7839 -34.7758 -34.7758 -20.6146 -20.6146 -20.5453 -20.5453 -7.3525 -7.3525 -7.1557 -7.1557 -5.4676 -5.4676 -5.3060 -5.3060 -5.1728 -5.1728 -5.0461 -5.0461 -1.0002 -1.0002 0.0577 0.0577 4.6523 4.6523 6.1119 6.1119 6.4435 6.4435 6.9245 6.9245 7.2401 7.2401 7.2674 7.2674 7.6261 7.6261 8.5664 8.5664 8.6982 8.6982 8.9459 8.9459 9.6629 9.6629 k = 0.0000 0.0882-0.0000 ( 8797 PWs) bands (ev): -68.1312 -68.1312 -68.1300 -68.1300 -35.0742 -35.0742 -35.0679 -35.0679 -34.7869 -34.7869 -34.7862 -34.7862 -34.7839 -34.7839 -34.7759 -34.7759 -20.6139 -20.6139 -20.5455 -20.5455 -7.3525 -7.3525 -7.1582 -7.1582 -5.4670 -5.4670 -5.3111 -5.3111 -5.1712 -5.1712 -5.0503 -5.0503 -0.9849 -0.9849 0.0630 0.0630 4.6679 4.6679 6.0194 6.0194 6.4472 6.4472 6.9350 6.9350 7.1240 7.1240 7.3315 7.3315 7.5953 7.5953 8.5955 8.5955 8.7014 8.7014 9.0758 9.0758 9.6208 9.6208 k = 0.0000 0.1029-0.0000 ( 8791 PWs) bands (ev): -68.1312 -68.1312 -68.1300 -68.1300 -35.0741 -35.0741 -35.0680 -35.0680 -34.7868 -34.7868 -34.7861 -34.7861 -34.7839 -34.7839 -34.7760 -34.7760 -20.6132 -20.6132 -20.5457 -20.5457 -7.3525 -7.3525 -7.1611 -7.1611 -5.4664 -5.4664 -5.3165 -5.3165 -5.1699 -5.1699 -5.0551 -5.0551 -0.9670 -0.9670 0.0692 0.0692 4.6862 4.6862 5.9234 5.9234 6.4526 6.4526 6.9317 6.9317 7.0163 7.0163 7.4002 7.4002 7.5619 7.5619 8.6283 8.6283 8.7009 8.7009 9.2074 9.2074 9.5736 9.5736 k = 0.0000 0.1176-0.0000 ( 8777 PWs) bands (ev): -68.1312 -68.1312 -68.1300 -68.1300 -35.0741 -35.0741 -35.0680 -35.0680 -34.7867 -34.7867 -34.7861 -34.7861 -34.7839 -34.7839 -34.7761 -34.7761 -20.6123 -20.6123 -20.5460 -20.5460 -7.3525 -7.3525 -7.1644 -7.1644 -5.4659 -5.4659 -5.3221 -5.3221 -5.1689 -5.1689 -5.0601 -5.0601 -0.9467 -0.9467 0.0760 0.0760 4.7070 4.7070 5.8257 5.8257 6.4592 6.4592 6.8514 6.8514 6.9854 6.9854 7.4694 7.4694 7.5261 7.5261 8.6634 8.6634 8.6976 8.6976 9.3372 9.3372 9.5222 9.5222 k = 0.0000 0.1324-0.0000 ( 8785 PWs) bands (ev): -68.1312 -68.1312 -68.1300 -68.1300 -35.0740 -35.0740 -35.0681 -35.0681 -34.7866 -34.7866 -34.7861 -34.7861 -34.7840 -34.7840 -34.7762 -34.7762 -20.6114 -20.6114 -20.5463 -20.5463 -7.3524 -7.3524 -7.1680 -7.1680 -5.4654 -5.4654 -5.3279 -5.3279 -5.1685 -5.1685 -5.0654 -5.0654 -0.9240 -0.9240 0.0833 0.0833 4.7302 4.7302 5.7275 5.7275 6.4667 6.4667 6.7327 6.7327 6.9936 6.9936 7.4881 7.4881 7.5387 7.5387 8.6785 8.6785 8.7134 8.7134 9.4504 9.4504 9.4802 9.4802 k = 0.0000 0.1471-0.0000 ( 8787 PWs) bands (ev): -68.1312 -68.1312 -68.1300 -68.1300 -35.0740 -35.0740 -35.0681 -35.0681 -34.7865 -34.7865 -34.7861 -34.7861 -34.7840 -34.7840 -34.7763 -34.7763 -20.6104 -20.6104 -20.5466 -20.5466 -7.3524 -7.3524 -7.1721 -7.1721 -5.4651 -5.4651 -5.3337 -5.3337 -5.1686 -5.1686 -5.0706 -5.0706 -0.8990 -0.8990 0.0912 0.0912 4.7556 4.7556 5.6295 5.6295 6.4750 6.4750 6.6112 6.6112 7.0060 7.0060 7.4485 7.4485 7.6077 7.6077 8.6656 8.6656 8.7565 8.7565 9.4081 9.4081 9.5847 9.5847 k = 0.0000 0.1618-0.0000 ( 8779 PWs) bands (ev): -68.1311 -68.1311 -68.1300 -68.1300 -35.0739 -35.0739 -35.0682 -35.0682 -34.7864 -34.7864 -34.7861 -34.7861 -34.7840 -34.7840 -34.7764 -34.7764 -20.6092 -20.6092 -20.5470 -20.5470 -7.3522 -7.3522 -7.1765 -7.1765 -5.4650 -5.4650 -5.3394 -5.3394 -5.1694 -5.1694 -5.0757 -5.0757 -0.8719 -0.8719 0.0993 0.0993 4.7829 4.7829 5.5327 5.5327 6.4836 6.4836 6.4913 6.4913 7.0185 7.0185 7.4076 7.4076 7.6764 7.6764 8.6467 8.6467 8.8055 8.8055 9.3521 9.3521 9.6687 9.6687 k = 0.0000 0.1765-0.0000 ( 8791 PWs) bands (ev): -68.1311 -68.1311 -68.1300 -68.1300 -35.0738 -35.0738 -35.0683 -35.0683 -34.7863 -34.7863 -34.7860 -34.7860 -34.7841 -34.7841 -34.7766 -34.7766 -20.6080 -20.6080 -20.5475 -20.5475 -7.3521 -7.3521 -7.1813 -7.1813 -5.4652 -5.4652 -5.3448 -5.3448 -5.1710 -5.1710 -5.0806 -5.0806 -0.8427 -0.8427 0.1075 0.1075 4.8120 4.8120 5.4375 5.4375 6.3732 6.3732 6.4935 6.4935 7.0298 7.0298 7.3660 7.3660 7.7448 7.7448 8.6249 8.6249 8.8582 8.8582 9.2969 9.2969 9.6715 9.6715 k = 0.0000 0.1912-0.0000 ( 8797 PWs) bands (ev): -68.1311 -68.1311 -68.1301 -68.1301 -35.0737 -35.0737 -35.0684 -35.0684 -34.7861 -34.7861 -34.7860 -34.7860 -34.7841 -34.7841 -34.7767 -34.7767 -20.6067 -20.6067 -20.5479 -20.5479 -7.3519 -7.3519 -7.1863 -7.1863 -5.4656 -5.4656 -5.3501 -5.3501 -5.1733 -5.1733 -5.0850 -5.0850 -0.8117 -0.8117 0.1158 0.1158 4.8425 4.8425 5.3445 5.3445 6.2590 6.2590 6.5034 6.5034 7.0389 7.0389 7.3241 7.3241 7.8124 7.8124 8.6023 8.6023 8.9138 8.9138 9.2440 9.2440 9.6770 9.6770 k = 0.0000 0.2059-0.0000 ( 8815 PWs) bands (ev): -68.1311 -68.1311 -68.1301 -68.1301 -35.0737 -35.0737 -35.0685 -35.0685 -34.7860 -34.7860 -34.7860 -34.7860 -34.7842 -34.7842 -34.7769 -34.7769 -20.6053 -20.6053 -20.5485 -20.5485 -7.3516 -7.3516 -7.1916 -7.1916 -5.4664 -5.4664 -5.3551 -5.3551 -5.1762 -5.1762 -5.0891 -5.0891 -0.7789 -0.7789 0.1239 0.1239 4.8737 4.8737 5.2543 5.2543 6.1490 6.1490 6.5134 6.5134 7.0447 7.0447 7.2824 7.2824 7.8792 7.8792 8.5806 8.5806 8.9715 8.9715 9.1944 9.1944 9.6856 9.6856 k = 0.0000 0.2206-0.0000 ( 8811 PWs) bands (ev): -68.1311 -68.1311 -68.1301 -68.1301 -35.0736 -35.0736 -35.0686 -35.0686 -34.7860 -34.7860 -34.7858 -34.7858 -34.7842 -34.7842 -34.7771 -34.7771 -20.6038 -20.6038 -20.5490 -20.5490 -7.3512 -7.3512 -7.1972 -7.1972 -5.4674 -5.4674 -5.3599 -5.3599 -5.1796 -5.1796 -5.0927 -5.0927 -0.7445 -0.7445 0.1316 0.1316 4.9049 4.9049 5.1673 5.1673 6.0441 6.0441 6.5237 6.5237 7.0465 7.0465 7.2413 7.2413 7.9446 7.9446 8.5618 8.5618 9.0292 9.0292 9.1498 9.1498 9.6972 9.6972 k = 0.0000 0.2353-0.0000 ( 8815 PWs) bands (ev): -68.1311 -68.1311 -68.1301 -68.1301 -35.0735 -35.0735 -35.0687 -35.0687 -34.7859 -34.7859 -34.7857 -34.7857 -34.7842 -34.7842 -34.7773 -34.7773 -20.6023 -20.6023 -20.5497 -20.5497 -7.3508 -7.3508 -7.2030 -7.2030 -5.4688 -5.4688 -5.3645 -5.3645 -5.1832 -5.1832 -5.0960 -5.0960 -0.7087 -0.7087 0.1387 0.1387 4.9350 4.9350 5.0843 5.0843 5.9454 5.9454 6.5339 6.5339 7.0431 7.0431 7.2012 7.2012 8.0081 8.0081 8.5476 8.5476 9.0740 9.0740 9.1225 9.1225 9.7116 9.7116 k = 0.0000 0.2500-0.0000 ( 8815 PWs) bands (ev): -68.1311 -68.1311 -68.1301 -68.1301 -35.0734 -35.0734 -35.0688 -35.0688 -34.7859 -34.7859 -34.7855 -34.7855 -34.7843 -34.7843 -34.7775 -34.7775 -20.6007 -20.6007 -20.5503 -20.5503 -7.3502 -7.3502 -7.2090 -7.2090 -5.4704 -5.4704 -5.3691 -5.3691 -5.1869 -5.1869 -5.0990 -5.0990 -0.6717 -0.6717 0.1451 0.1451 4.9596 4.9596 5.0084 5.0084 5.8544 5.8544 6.5440 6.5440 7.0339 7.0339 7.1626 7.1626 8.0690 8.0690 8.5397 8.5397 9.0576 9.0576 9.1599 9.1599 9.7293 9.7293 k = 0.0000 0.2647-0.0000 ( 8815 PWs) bands (ev): -68.1310 -68.1310 -68.1301 -68.1301 -35.0732 -35.0732 -35.0689 -35.0689 -34.7859 -34.7859 -34.7853 -34.7853 -34.7843 -34.7843 -34.7776 -34.7776 -20.5991 -20.5991 -20.5511 -20.5511 -7.3495 -7.3495 -7.2152 -7.2152 -5.4721 -5.4721 -5.3736 -5.3736 -5.1904 -5.1904 -5.1019 -5.1019 -0.6335 -0.6335 0.1505 0.1505 4.9234 4.9234 4.9932 4.9932 5.7733 5.7733 6.5539 6.5539 7.0182 7.0182 7.1255 7.1255 8.1266 8.1266 8.5392 8.5392 9.0270 9.0270 9.2128 9.2128 9.7502 9.7502 k = 0.0000 0.2794-0.0000 ( 8799 PWs) bands (ev): -68.1310 -68.1310 -68.1302 -68.1302 -35.0731 -35.0731 -35.0690 -35.0690 -34.7858 -34.7858 -34.7851 -34.7851 -34.7843 -34.7843 -34.7778 -34.7778 -20.5974 -20.5974 -20.5519 -20.5519 -7.3487 -7.3487 -7.2215 -7.2215 -5.4739 -5.4739 -5.3783 -5.3783 -5.1934 -5.1934 -5.1046 -5.1046 -0.5944 -0.5944 0.1548 0.1548 4.8544 4.8544 5.0084 5.0084 5.7050 5.7050 6.5636 6.5636 6.9963 6.9963 7.0897 7.0897 8.1807 8.1807 8.5467 8.5467 8.9997 8.9997 9.2609 9.2609 9.7728 9.7728 k = 0.0000 0.2941-0.0000 ( 8802 PWs) bands (ev): -68.1310 -68.1310 -68.1302 -68.1302 -35.0730 -35.0730 -35.0691 -35.0691 -34.7858 -34.7858 -34.7849 -34.7849 -34.7844 -34.7844 -34.7780 -34.7780 -20.5957 -20.5957 -20.5527 -20.5527 -7.3477 -7.3477 -7.2279 -7.2279 -5.4757 -5.4757 -5.3831 -5.3831 -5.1959 -5.1959 -5.1074 -5.1074 -0.5545 -0.5545 0.1577 0.1577 4.7886 4.7886 5.0146 5.0146 5.6531 5.6531 6.5728 6.5728 6.9689 6.9689 7.0544 7.0544 8.2314 8.2314 8.5619 8.5619 8.9774 8.9774 9.2990 9.2990 9.7848 9.7848 k = 0.0000 0.3088-0.0000 ( 8804 PWs) bands (ev): -68.1310 -68.1310 -68.1302 -68.1302 -35.0729 -35.0729 -35.0693 -35.0693 -34.7857 -34.7857 -34.7847 -34.7847 -34.7844 -34.7844 -34.7783 -34.7783 -20.5939 -20.5939 -20.5536 -20.5536 -7.3466 -7.3466 -7.2343 -7.2343 -5.4774 -5.4774 -5.3883 -5.3883 -5.1976 -5.1976 -5.1102 -5.1102 -0.5141 -0.5141 0.1591 0.1591 4.7277 4.7277 5.0073 5.0073 5.6207 5.6207 6.5816 6.5816 6.9370 6.9370 7.0187 7.0187 8.2794 8.2794 8.5837 8.5837 8.9607 8.9607 9.3227 9.3227 9.7742 9.7742 k = 0.0000 0.3235-0.0000 ( 8798 PWs) bands (ev): -68.1309 -68.1309 -68.1302 -68.1302 -35.0728 -35.0728 -35.0694 -35.0694 -34.7857 -34.7857 -34.7845 -34.7845 -34.7845 -34.7845 -34.7785 -34.7785 -20.5921 -20.5921 -20.5546 -20.5546 -7.3453 -7.3453 -7.2408 -7.2408 -5.4789 -5.4789 -5.3937 -5.3937 -5.1986 -5.1986 -5.1132 -5.1132 -0.4732 -0.4732 0.1587 0.1587 4.6720 4.6720 4.9853 4.9853 5.6092 5.6092 6.5900 6.5900 6.9013 6.9013 6.9825 6.9825 8.3259 8.3259 8.6104 8.6104 8.9496 8.9496 9.3295 9.3295 9.7598 9.7598 k = 0.0000 0.3382-0.0000 ( 8798 PWs) bands (ev): -68.1309 -68.1309 -68.1303 -68.1303 -35.0726 -35.0726 -35.0695 -35.0695 -34.7856 -34.7856 -34.7845 -34.7845 -34.7843 -34.7843 -34.7787 -34.7787 -20.5903 -20.5903 -20.5556 -20.5556 -7.3437 -7.3437 -7.2473 -7.2473 -5.4802 -5.4802 -5.3994 -5.3994 -5.1987 -5.1987 -5.1163 -5.1163 -0.4321 -0.4321 0.1564 0.1564 4.6219 4.6219 4.9500 4.9500 5.6171 5.6171 6.5978 6.5978 6.8618 6.8618 6.9465 6.9465 8.3723 8.3723 8.6401 8.6401 8.9444 8.9444 9.3201 9.3201 9.7446 9.7446 k = 0.0000 0.3529-0.0000 ( 8812 PWs) bands (ev): -68.1309 -68.1309 -68.1303 -68.1303 -35.0725 -35.0725 -35.0696 -35.0696 -34.7856 -34.7856 -34.7846 -34.7846 -34.7840 -34.7840 -34.7790 -34.7790 -20.5885 -20.5885 -20.5567 -20.5567 -7.3420 -7.3420 -7.2538 -7.2538 -5.4811 -5.4811 -5.4054 -5.4054 -5.1981 -5.1981 -5.1196 -5.1196 -0.3911 -0.3911 0.1521 0.1521 4.5776 4.5776 4.9052 4.9052 5.6405 5.6405 6.6052 6.6052 6.8180 6.8180 6.9118 6.9118 8.4198 8.4198 8.6711 8.6711 8.9452 8.9452 9.2980 9.2980 9.7230 9.7230 k = 0.0000 0.3676-0.0000 ( 8814 PWs) bands (ev): -68.1309 -68.1309 -68.1303 -68.1303 -35.0724 -35.0724 -35.0698 -35.0698 -34.7856 -34.7856 -34.7846 -34.7846 -34.7838 -34.7838 -34.7792 -34.7792 -20.5866 -20.5866 -20.5578 -20.5578 -7.3400 -7.3400 -7.2602 -7.2602 -5.4817 -5.4817 -5.4116 -5.4116 -5.1966 -5.1966 -5.1231 -5.1231 -0.3501 -0.3501 0.1456 0.1456 4.5394 4.5394 4.8549 4.8549 5.6757 5.6757 6.6118 6.6118 6.7699 6.7699 6.8794 6.8794 8.4692 8.4692 8.7023 8.7023 8.9519 8.9519 9.2674 9.2674 9.6904 9.6904 k = 0.0000 0.3824-0.0000 ( 8822 PWs) bands (ev): -68.1308 -68.1308 -68.1304 -68.1304 -35.0722 -35.0722 -35.0699 -35.0699 -34.7855 -34.7855 -34.7847 -34.7847 -34.7836 -34.7836 -34.7795 -34.7795 -20.5848 -20.5848 -20.5590 -20.5590 -7.3378 -7.3378 -7.2665 -7.2665 -5.4818 -5.4818 -5.4180 -5.4180 -5.1945 -5.1945 -5.1268 -5.1268 -0.3096 -0.3096 0.1367 0.1367 4.5072 4.5072 4.8023 4.8023 5.7194 5.7194 6.6169 6.6169 6.7186 6.7186 6.8497 6.8497 8.5208 8.5208 8.7334 8.7334 8.9644 8.9644 9.2320 9.2320 9.6452 9.6452 k = 0.0000 0.3971-0.0000 ( 8818 PWs) bands (ev): -68.1308 -68.1308 -68.1304 -68.1304 -35.0721 -35.0721 -35.0701 -35.0701 -34.7855 -34.7855 -34.7847 -34.7847 -34.7833 -34.7833 -34.7797 -34.7797 -20.5830 -20.5830 -20.5603 -20.5603 -7.3354 -7.3354 -7.2727 -7.2727 -5.4814 -5.4814 -5.4244 -5.4244 -5.1917 -5.1917 -5.1307 -5.1307 -0.2696 -0.2696 0.1254 0.1254 4.4814 4.4814 4.7498 4.7498 5.7693 5.7693 6.6159 6.6159 6.6697 6.6697 6.8228 6.8228 8.5747 8.5747 8.7642 8.7642 8.9824 8.9824 9.1944 9.1944 9.5892 9.5892 k = 0.0000 0.4118-0.0000 ( 8822 PWs) bands (ev): -68.1308 -68.1308 -68.1304 -68.1304 -35.0720 -35.0720 -35.0702 -35.0702 -34.7854 -34.7854 -34.7848 -34.7848 -34.7831 -34.7831 -34.7800 -34.7800 -20.5811 -20.5811 -20.5616 -20.5616 -7.3327 -7.3327 -7.2787 -7.2787 -5.4805 -5.4805 -5.4307 -5.4307 -5.1884 -5.1884 -5.1348 -5.1348 -0.2304 -0.2304 0.1116 0.1116 4.4619 4.4619 4.6990 4.6990 5.8238 5.8238 6.5845 6.5845 6.6481 6.6481 6.7984 6.7984 8.6304 8.6304 8.7953 8.7953 9.0055 9.0055 9.1567 9.1567 9.5250 9.5250 k = 0.0000 0.4265-0.0000 ( 8816 PWs) bands (ev): -68.1307 -68.1307 -68.1304 -68.1304 -35.0718 -35.0718 -35.0704 -35.0704 -34.7854 -34.7854 -34.7849 -34.7849 -34.7828 -34.7828 -34.7802 -34.7802 -20.5793 -20.5793 -20.5630 -20.5630 -7.3297 -7.3297 -7.2845 -7.2845 -5.4790 -5.4790 -5.4370 -5.4370 -5.1847 -5.1847 -5.1390 -5.1390 -0.1922 -0.1922 0.0953 0.0953 4.4489 4.4489 4.6511 4.6511 5.8818 5.8818 6.5275 6.5275 6.6500 6.6500 6.7763 6.7763 8.6871 8.6871 8.8278 8.8278 9.0315 9.0315 9.1217 9.1217 9.4554 9.4554 k = 0.0000 0.4412-0.0000 ( 8814 PWs) bands (ev): -68.1307 -68.1307 -68.1305 -68.1305 -35.0717 -35.0717 -35.0705 -35.0705 -34.7853 -34.7853 -34.7849 -34.7849 -34.7826 -34.7826 -34.7805 -34.7805 -20.5775 -20.5775 -20.5644 -20.5644 -7.3264 -7.3264 -7.2902 -7.2902 -5.4770 -5.4770 -5.4430 -5.4430 -5.1806 -5.1806 -5.1435 -5.1435 -0.1552 -0.1552 0.0765 0.0765 4.4422 4.4422 4.6069 4.6069 5.9424 5.9424 6.4648 6.4648 6.6564 6.6564 6.7564 6.7564 8.7430 8.7430 8.8635 8.8635 9.0480 9.0480 9.1027 9.1027 9.3828 9.3828 k = 0.0000 0.4559-0.0000 ( 8818 PWs) bands (ev): -68.1307 -68.1307 -68.1305 -68.1305 -35.0715 -35.0715 -35.0707 -35.0707 -34.7853 -34.7853 -34.7850 -34.7850 -34.7823 -34.7823 -34.7808 -34.7808 -20.5757 -20.5757 -20.5659 -20.5659 -7.3228 -7.3228 -7.2956 -7.2956 -5.4745 -5.4745 -5.4487 -5.4487 -5.1763 -5.1763 -5.1480 -5.1480 -0.1195 -0.1195 0.0552 0.0552 4.4419 4.4419 4.5672 4.5672 6.0051 6.0051 6.3999 6.3999 6.6643 6.6643 6.7385 6.7385 8.7954 8.7954 8.9044 8.9044 9.0297 9.0297 9.1255 9.1255 9.3089 9.3089 k = 0.0000 0.4706-0.0000 ( 8804 PWs) bands (ev): -68.1306 -68.1306 -68.1305 -68.1305 -35.0714 -35.0714 -35.0708 -35.0708 -34.7852 -34.7852 -34.7850 -34.7850 -34.7820 -34.7820 -34.7810 -34.7810 -20.5740 -20.5740 -20.5674 -20.5674 -7.3190 -7.3190 -7.3008 -7.3008 -5.4714 -5.4714 -5.4542 -5.4542 -5.1717 -5.1717 -5.1527 -5.1527 -0.0855 -0.0855 0.0315 0.0315 4.4480 4.4480 4.5323 4.5323 6.0694 6.0694 6.3339 6.3339 6.6733 6.6733 6.7224 6.7224 8.8418 8.8418 8.9478 8.9478 9.0046 9.0046 9.1661 9.1661 9.2362 9.2362 k = 0.0000 0.4853-0.0000 ( 8806 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0712 -35.0712 -35.0709 -35.0709 -34.7852 -34.7852 -34.7851 -34.7851 -34.7818 -34.7818 -34.7813 -34.7813 -20.5723 -20.5723 -20.5690 -20.5690 -7.3149 -7.3149 -7.3058 -7.3058 -5.4678 -5.4678 -5.4592 -5.4592 -5.1670 -5.1670 -5.1575 -5.1575 -0.0532 -0.0532 0.0055 0.0055 4.4602 4.4602 4.5026 4.5026 6.1348 6.1348 6.2675 6.2675 6.6836 6.6836 6.7079 6.7079 8.8822 8.8822 8.9494 8.9494 9.0283 9.0283 9.1581 9.1581 9.2209 9.2209 k = 0.0000 0.5000-0.0000 ( 8826 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0711 -35.0711 -35.0711 -35.0711 -34.7851 -34.7851 -34.7851 -34.7851 -34.7815 -34.7815 -34.7815 -34.7815 -20.5706 -20.5706 -20.5706 -20.5706 -7.3105 -7.3105 -7.3105 -7.3105 -5.4637 -5.4637 -5.4637 -5.4637 -5.1623 -5.1623 -5.1623 -5.1623 -0.0228 -0.0228 -0.0228 -0.0228 4.4785 4.4785 4.4785 4.4785 6.2009 6.2009 6.2009 6.2009 6.6950 6.6950 6.6950 6.6950 8.9182 8.9182 8.9182 8.9182 9.0903 9.0903 9.0903 9.0903 9.2740 9.2740 k = 0.0000 0.5000-0.0000 ( 8826 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0711 -35.0711 -35.0711 -35.0711 -34.7851 -34.7851 -34.7851 -34.7851 -34.7815 -34.7815 -34.7815 -34.7815 -20.5706 -20.5706 -20.5706 -20.5706 -7.3105 -7.3105 -7.3105 -7.3105 -5.4637 -5.4637 -5.4637 -5.4637 -5.1623 -5.1623 -5.1623 -5.1623 -0.0228 -0.0228 -0.0228 -0.0228 4.4785 4.4785 4.4785 4.4785 6.2009 6.2009 6.2009 6.2009 6.6950 6.6950 6.6950 6.6950 8.9182 8.9182 8.9182 8.9182 9.0903 9.0903 9.0903 9.0903 9.2740 9.2740 k = 0.0147 0.5000-0.0000 ( 8818 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0711 -35.0711 -35.0711 -35.0711 -34.7851 -34.7851 -34.7851 -34.7851 -34.7815 -34.7815 -34.7815 -34.7815 -20.5706 -20.5706 -20.5706 -20.5706 -7.3106 -7.3106 -7.3104 -7.3104 -5.4682 -5.4682 -5.4591 -5.4591 -5.1674 -5.1674 -5.1577 -5.1577 -0.0228 -0.0228 -0.0228 -0.0228 4.4765 4.4765 4.4818 4.4818 6.1917 6.1917 6.2032 6.2032 6.6909 6.6909 6.7026 6.7026 8.9090 8.9090 8.9213 8.9213 9.0378 9.0378 9.0534 9.0534 9.3225 9.3225 k = 0.0294 0.5000-0.0000 ( 8826 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0711 -35.0711 -35.0711 -35.0711 -34.7852 -34.7852 -34.7852 -34.7852 -34.7815 -34.7815 -34.7815 -34.7815 -20.5705 -20.5705 -20.5705 -20.5705 -7.3108 -7.3108 -7.3105 -7.3105 -5.4725 -5.4725 -5.4544 -5.4544 -5.1732 -5.1732 -5.1537 -5.1537 -0.0228 -0.0228 -0.0228 -0.0228 4.4758 4.4758 4.4863 4.4863 6.1761 6.1761 6.1982 6.1982 6.6904 6.6904 6.7127 6.7127 8.8786 8.8786 8.9048 8.9048 8.9710 8.9710 8.9971 8.9971 9.4223 9.4223 k = 0.0441 0.5000-0.0000 ( 8820 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0711 -35.0711 -35.0711 -35.0711 -34.7852 -34.7852 -34.7852 -34.7852 -34.7815 -34.7815 -34.7814 -34.7814 -20.5704 -20.5704 -20.5704 -20.5704 -7.3110 -7.3110 -7.3106 -7.3106 -5.4767 -5.4767 -5.4495 -5.4495 -5.1795 -5.1795 -5.1504 -5.1504 -0.0228 -0.0228 -0.0227 -0.0227 4.4763 4.4763 4.4920 4.4920 6.1555 6.1555 6.1865 6.1865 6.6930 6.6930 6.7244 6.7244 8.8101 8.8101 8.8308 8.8308 8.9602 8.9602 8.9767 8.9767 9.5347 9.5348 k = 0.0588 0.5000-0.0000 ( 8820 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0711 -35.0711 -35.0711 -35.0711 -34.7853 -34.7853 -34.7853 -34.7853 -34.7814 -34.7814 -34.7814 -34.7814 -20.5703 -20.5703 -20.5703 -20.5703 -7.3114 -7.3114 -7.3108 -7.3108 -5.4806 -5.4806 -5.4445 -5.4445 -5.1864 -5.1864 -5.1477 -5.1477 -0.0228 -0.0228 -0.0227 -0.0227 4.4779 4.4779 4.4986 4.4986 6.1311 6.1311 6.1692 6.1692 6.6979 6.6979 6.7362 6.7362 8.7247 8.7247 8.7412 8.7412 8.9696 8.9696 8.9782 8.9782 9.6524 9.6524 k = 0.0735 0.5000-0.0000 ( 8828 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0711 -35.0711 -35.0711 -35.0711 -34.7854 -34.7854 -34.7853 -34.7853 -34.7813 -34.7813 -34.7813 -34.7813 -20.5701 -20.5701 -20.5701 -20.5701 -7.3118 -7.3118 -7.3111 -7.3111 -5.4844 -5.4844 -5.4393 -5.4393 -5.1938 -5.1938 -5.1456 -5.1456 -0.0228 -0.0228 -0.0227 -0.0227 4.4804 4.4804 4.5059 4.5059 6.1044 6.1044 6.1479 6.1479 6.7036 6.7036 6.7471 6.7471 8.6378 8.6378 8.6532 8.6532 8.9840 8.9840 8.9879 8.9879 9.7727 9.7727 k = 0.0882 0.5000-0.0000 ( 8812 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0711 -35.0711 -35.0711 -35.0711 -34.7855 -34.7855 -34.7854 -34.7854 -34.7812 -34.7812 -34.7812 -34.7812 -20.5699 -20.5699 -20.5699 -20.5699 -7.3123 -7.3123 -7.3115 -7.3115 -5.4880 -5.4880 -5.4341 -5.4341 -5.2017 -5.2017 -5.1440 -5.1440 -0.0227 -0.0227 -0.0226 -0.0226 4.4836 4.4836 4.5137 4.5137 6.0766 6.0766 6.1238 6.1238 6.7090 6.7090 6.7559 6.7559 8.5543 8.5543 8.5697 8.5697 9.0009 9.0009 9.0018 9.0018 9.8942 9.8942 k = 0.1029 0.5000-0.0000 ( 8808 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0711 -35.0711 -35.0711 -35.0711 -34.7855 -34.7855 -34.7855 -34.7855 -34.7811 -34.7811 -34.7811 -34.7811 -20.5697 -20.5697 -20.5696 -20.5696 -7.3129 -7.3129 -7.3119 -7.3119 -5.4914 -5.4914 -5.4287 -5.4287 -5.2100 -5.2100 -5.1431 -5.1431 -0.0227 -0.0227 -0.0226 -0.0226 4.4871 4.4871 4.5214 4.5214 6.0489 6.0489 6.0985 6.0985 6.7129 6.7129 6.7617 6.7617 8.4761 8.4761 8.4918 8.4918 9.0179 9.0179 9.0194 9.0194 10.0159 10.0159 k = 0.1176 0.5000-0.0000 ( 8804 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0711 -35.0711 -35.0711 -35.0711 -34.7857 -34.7857 -34.7856 -34.7856 -34.7810 -34.7810 -34.7810 -34.7810 -20.5694 -20.5694 -20.5694 -20.5694 -7.3135 -7.3135 -7.3124 -7.3124 -5.4946 -5.4946 -5.4233 -5.4233 -5.2187 -5.2187 -5.1427 -5.1427 -0.0227 -0.0227 -0.0226 -0.0226 4.4907 4.4907 4.5289 4.5289 6.0223 6.0223 6.0731 6.0731 6.7144 6.7144 6.7639 6.7639 8.4042 8.4042 8.4203 8.4203 9.0354 9.0354 9.0387 9.0387 10.1364 10.1365 k = 0.1324 0.5000-0.0000 ( 8794 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0711 -35.0711 -35.0711 -35.0711 -34.7858 -34.7858 -34.7857 -34.7857 -34.7809 -34.7809 -34.7808 -34.7808 -20.5691 -20.5691 -20.5691 -20.5691 -7.3142 -7.3142 -7.3130 -7.3130 -5.4975 -5.4975 -5.4178 -5.4178 -5.2278 -5.2278 -5.1428 -5.1428 -0.0227 -0.0227 -0.0226 -0.0226 4.4941 4.4941 4.5356 4.5356 5.9978 5.9978 6.0487 6.0487 6.7127 6.7127 6.7618 6.7618 8.3393 8.3393 8.3558 8.3558 9.0532 9.0532 9.0581 9.0581 10.2545 10.2545 k = 0.1471 0.5000-0.0000 ( 8806 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0711 -35.0711 -35.0711 -35.0711 -34.7859 -34.7859 -34.7858 -34.7858 -34.7808 -34.7808 -34.7807 -34.7807 -20.5687 -20.5687 -20.5687 -20.5687 -7.3150 -7.3150 -7.3137 -7.3137 -5.5003 -5.5003 -5.4122 -5.4122 -5.2371 -5.2371 -5.1434 -5.1434 -0.0227 -0.0227 -0.0226 -0.0226 4.4968 4.4968 4.5412 4.5412 5.9759 5.9759 6.0262 6.0262 6.7072 6.7072 6.7550 6.7550 8.2819 8.2819 8.2985 8.2985 9.0708 9.0708 9.0770 9.0770 10.3685 10.3685 k = 0.1618 0.5000-0.0000 ( 8808 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0711 -35.0711 -35.0711 -35.0711 -34.7860 -34.7860 -34.7860 -34.7860 -34.7807 -34.7807 -34.7806 -34.7806 -20.5683 -20.5683 -20.5683 -20.5683 -7.3158 -7.3158 -7.3145 -7.3145 -5.5028 -5.5028 -5.4066 -5.4066 -5.2467 -5.2467 -5.1446 -5.1446 -0.0227 -0.0227 -0.0226 -0.0226 4.4986 4.4986 4.5453 4.5453 5.9576 5.9576 6.0065 6.0065 6.6976 6.6976 6.7434 6.7434 8.2323 8.2323 8.2489 8.2489 9.0873 9.0873 9.0948 9.0948 10.4772 10.4772 k = 0.1765 0.5000-0.0000 ( 8800 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0711 -35.0711 -35.0711 -35.0711 -34.7861 -34.7861 -34.7861 -34.7861 -34.7805 -34.7805 -34.7805 -34.7805 -20.5680 -20.5680 -20.5680 -20.5680 -7.3167 -7.3167 -7.3153 -7.3153 -5.5050 -5.5050 -5.4010 -5.4010 -5.2564 -5.2564 -5.1461 -5.1461 -0.0227 -0.0227 -0.0226 -0.0226 4.4991 4.4991 4.5475 4.5475 5.9432 5.9432 5.9899 5.9899 6.6837 6.6837 6.7270 6.7270 8.1907 8.1907 8.2069 8.2069 9.1022 9.1022 9.1108 9.1108 10.5792 10.5793 k = 0.1912 0.5000-0.0000 ( 8812 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0711 -35.0711 -35.0711 -35.0711 -34.7862 -34.7862 -34.7862 -34.7862 -34.7804 -34.7804 -34.7804 -34.7804 -20.5676 -20.5676 -20.5676 -20.5676 -7.3176 -7.3176 -7.3162 -7.3162 -5.5070 -5.5070 -5.3955 -5.3955 -5.2661 -5.2661 -5.1481 -5.1481 -0.0228 -0.0228 -0.0227 -0.0227 4.4981 4.4981 4.5476 4.5476 5.9330 5.9330 5.9771 5.9771 6.6656 6.6656 6.7059 6.7059 8.1569 8.1569 8.1726 8.1726 9.1150 9.1150 9.1248 9.1248 10.6743 10.6743 k = 0.2059 0.5000-0.0000 ( 8806 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0711 -35.0711 -35.0711 -35.0711 -34.7864 -34.7864 -34.7863 -34.7863 -34.7803 -34.7803 -34.7803 -34.7803 -20.5671 -20.5671 -20.5671 -20.5671 -7.3186 -7.3186 -7.3172 -7.3172 -5.5087 -5.5087 -5.3901 -5.3901 -5.2758 -5.2758 -5.1505 -5.1505 -0.0228 -0.0228 -0.0228 -0.0228 4.4956 4.4956 4.5453 4.5453 5.9274 5.9274 5.9681 5.9681 6.6437 6.6437 6.6806 6.6806 8.1308 8.1308 8.1457 8.1457 9.1253 9.1253 9.1362 9.1362 10.7625 10.7625 k = 0.2206 0.5000-0.0000 ( 8806 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0711 -35.0711 -35.0711 -35.0711 -34.7865 -34.7865 -34.7864 -34.7864 -34.7802 -34.7802 -34.7802 -34.7802 -20.5667 -20.5667 -20.5667 -20.5667 -7.3197 -7.3197 -7.3182 -7.3182 -5.5101 -5.5101 -5.3850 -5.3850 -5.2852 -5.2852 -5.1532 -5.1532 -0.0229 -0.0229 -0.0229 -0.0229 4.4913 4.4913 4.5407 4.5407 5.9262 5.9262 5.9632 5.9632 6.6183 6.6183 6.6517 6.6517 8.1119 8.1119 8.1259 8.1259 9.1328 9.1328 9.1447 9.1447 10.8448 10.8448 k = 0.2353 0.5000-0.0000 ( 8810 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0712 -35.0712 -35.0711 -35.0711 -34.7866 -34.7866 -34.7865 -34.7865 -34.7801 -34.7801 -34.7800 -34.7800 -20.5663 -20.5663 -20.5663 -20.5663 -7.3207 -7.3207 -7.3192 -7.3192 -5.5113 -5.5113 -5.3802 -5.3802 -5.2943 -5.2943 -5.1563 -5.1563 -0.0231 -0.0231 -0.0230 -0.0230 4.4852 4.4852 4.5338 4.5338 5.9294 5.9294 5.9622 5.9622 6.5899 6.5899 6.6197 6.6197 8.0998 8.0998 8.1128 8.1128 9.1370 9.1370 9.1501 9.1501 10.9221 10.9221 k = 0.2500 0.5000-0.0000 ( 8802 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0712 -35.0712 -35.0711 -35.0711 -34.7867 -34.7867 -34.7867 -34.7867 -34.7800 -34.7800 -34.7799 -34.7799 -20.5658 -20.5658 -20.5658 -20.5658 -7.3218 -7.3218 -7.3203 -7.3203 -5.5121 -5.5121 -5.3761 -5.3761 -5.3026 -5.3026 -5.1597 -5.1597 -0.0232 -0.0232 -0.0232 -0.0232 4.4776 4.4776 4.5248 4.5248 5.9365 5.9365 5.9650 5.9650 6.5593 6.5593 6.5855 6.5855 8.0939 8.0939 8.1058 8.1058 9.1378 9.1378 9.1520 9.1520 10.9955 10.9956 k = 0.2647 0.5000-0.0000 ( 8802 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0712 -35.0712 -35.0712 -35.0712 -34.7868 -34.7868 -34.7868 -34.7868 -34.7798 -34.7798 -34.7798 -34.7798 -20.5654 -20.5654 -20.5654 -20.5654 -7.3229 -7.3229 -7.3214 -7.3214 -5.5126 -5.5126 -5.3731 -5.3731 -5.3097 -5.3097 -5.1634 -5.1634 -0.0234 -0.0234 -0.0234 -0.0234 4.4684 4.4684 4.5138 4.5138 5.9472 5.9472 5.9712 5.9712 6.5272 6.5272 6.5499 6.5499 8.0936 8.0936 8.1044 8.1044 9.1349 9.1349 9.1504 9.1504 11.0657 11.0658 k = 0.2794 0.5000-0.0000 ( 8804 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0712 -35.0712 -35.0712 -35.0712 -34.7869 -34.7869 -34.7869 -34.7869 -34.7797 -34.7797 -34.7797 -34.7797 -20.5649 -20.5649 -20.5649 -20.5649 -7.3241 -7.3241 -7.3226 -7.3226 -5.5127 -5.5127 -5.3719 -5.3719 -5.3149 -5.3149 -5.1674 -5.1674 -0.0236 -0.0236 -0.0236 -0.0236 4.4581 4.4581 4.5013 4.5013 5.9609 5.9609 5.9803 5.9803 6.4942 6.4942 6.5135 6.5135 8.0984 8.0984 8.1081 8.1081 9.1283 9.1283 9.1449 9.1449 11.1333 11.1333 k = 0.2941 0.5000-0.0000 ( 8798 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0712 -35.0712 -35.0712 -35.0712 -34.7870 -34.7870 -34.7870 -34.7870 -34.7796 -34.7796 -34.7796 -34.7796 -20.5645 -20.5645 -20.5645 -20.5645 -7.3252 -7.3252 -7.3237 -7.3237 -5.5125 -5.5125 -5.3730 -5.3730 -5.3177 -5.3177 -5.1716 -5.1716 -0.0238 -0.0238 -0.0238 -0.0238 4.4468 4.4468 4.4876 4.4876 5.9769 5.9769 5.9919 5.9919 6.4611 6.4611 6.4772 6.4772 8.1078 8.1078 8.1164 8.1164 9.1179 9.1179 9.1356 9.1356 11.1985 11.1985 k = 0.3088 0.5000-0.0000 ( 8806 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0712 -35.0712 -35.0712 -35.0712 -34.7871 -34.7871 -34.7871 -34.7871 -34.7795 -34.7795 -34.7795 -34.7795 -20.5641 -20.5641 -20.5641 -20.5641 -7.3263 -7.3263 -7.3249 -7.3249 -5.5120 -5.5120 -5.3766 -5.3766 -5.3177 -5.3177 -5.1760 -5.1760 -0.0241 -0.0241 -0.0241 -0.0241 4.4348 4.4348 4.4730 4.4730 5.9945 5.9945 6.0052 6.0052 6.4285 6.4285 6.4415 6.4415 8.1213 8.1213 8.1288 8.1288 9.1035 9.1035 9.1223 9.1223 11.2615 11.2615 k = 0.3235 0.5000-0.0000 ( 8798 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0712 -35.0712 -35.0712 -35.0712 -34.7872 -34.7872 -34.7872 -34.7872 -34.7795 -34.7795 -34.7794 -34.7794 -20.5637 -20.5637 -20.5637 -20.5637 -7.3273 -7.3273 -7.3260 -7.3260 -5.5110 -5.5110 -5.3822 -5.3822 -5.3156 -5.3156 -5.1806 -5.1806 -0.0243 -0.0243 -0.0243 -0.0243 4.4225 4.4225 4.4579 4.4579 6.0129 6.0129 6.0197 6.0197 6.3971 6.3971 6.4072 6.4072 8.1386 8.1386 8.1449 8.1449 9.0852 9.0852 9.1050 9.1050 11.3226 11.3226 k = 0.3382 0.5000-0.0000 ( 8802 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0712 -35.0712 -35.0712 -35.0712 -34.7873 -34.7873 -34.7872 -34.7872 -34.7794 -34.7794 -34.7793 -34.7793 -20.5633 -20.5633 -20.5633 -20.5633 -7.3284 -7.3284 -7.3271 -7.3271 -5.5097 -5.5097 -5.3891 -5.3891 -5.3119 -5.3119 -5.1854 -5.1854 -0.0246 -0.0246 -0.0246 -0.0246 4.4101 4.4101 4.4427 4.4427 6.0316 6.0316 6.0346 6.0346 6.3675 6.3675 6.3748 6.3748 8.1593 8.1593 8.1643 8.1643 9.0632 9.0632 9.0837 9.0837 11.3820 11.3820 k = 0.3529 0.5000-0.0000 ( 8804 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0712 -35.0712 -35.0712 -35.0712 -34.7874 -34.7874 -34.7873 -34.7873 -34.7793 -34.7793 -34.7793 -34.7793 -20.5629 -20.5629 -20.5629 -20.5629 -7.3294 -7.3294 -7.3282 -7.3282 -5.5081 -5.5081 -5.3967 -5.3967 -5.3072 -5.3072 -5.1904 -5.1904 -0.0249 -0.0249 -0.0249 -0.0249 4.3980 4.3980 4.4276 4.4276 6.0492 6.0492 6.0495 6.0495 6.3403 6.3403 6.3451 6.3451 8.1830 8.1830 8.1868 8.1868 9.0376 9.0376 9.0587 9.0587 11.4399 11.4399 k = 0.3676 0.5000-0.0000 ( 8816 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0712 -35.0712 -35.0712 -35.0712 -34.7874 -34.7874 -34.7874 -34.7874 -34.7792 -34.7792 -34.7792 -34.7792 -20.5626 -20.5626 -20.5626 -20.5626 -7.3303 -7.3303 -7.3292 -7.3292 -5.5060 -5.5060 -5.4046 -5.4046 -5.3019 -5.3019 -5.1956 -5.1956 -0.0252 -0.0252 -0.0251 -0.0251 4.3864 4.3864 4.4131 4.4131 6.0628 6.0628 6.0659 6.0659 6.3160 6.3160 6.3185 6.3185 8.2095 8.2095 8.2119 8.2119 9.0088 9.0088 9.0302 9.0302 11.4967 11.4967 k = 0.3824 0.5000-0.0000 ( 8820 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0712 -35.0712 -35.0712 -35.0712 -34.7875 -34.7875 -34.7875 -34.7875 -34.7792 -34.7792 -34.7791 -34.7791 -20.5623 -20.5623 -20.5623 -20.5623 -7.3312 -7.3312 -7.3302 -7.3302 -5.5035 -5.5035 -5.4127 -5.4127 -5.2963 -5.2963 -5.2008 -5.2008 -0.0255 -0.0255 -0.0254 -0.0254 4.3755 4.3755 4.3993 4.3993 6.0746 6.0746 6.0800 6.0800 6.2954 6.2954 6.2958 6.2958 8.2384 8.2384 8.2394 8.2394 8.9772 8.9772 8.9986 8.9986 11.5527 11.5527 k = 0.3971 0.5000-0.0000 ( 8826 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0712 -35.0712 -35.0712 -35.0712 -34.7876 -34.7876 -34.7875 -34.7875 -34.7791 -34.7791 -34.7791 -34.7791 -20.5620 -20.5620 -20.5620 -20.5620 -7.3319 -7.3319 -7.3311 -7.3311 -5.5007 -5.5007 -5.4206 -5.4206 -5.2904 -5.2904 -5.2063 -5.2063 -0.0257 -0.0257 -0.0257 -0.0257 4.3657 4.3657 4.3864 4.3864 6.0838 6.0838 6.0909 6.0909 6.2776 6.2776 6.2789 6.2789 8.2688 8.2688 8.2692 8.2692 8.9434 8.9434 8.9644 8.9644 11.6079 11.6079 k = 0.4118 0.5000-0.0000 ( 8826 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0712 -35.0712 -35.0712 -35.0712 -34.7876 -34.7876 -34.7876 -34.7876 -34.7791 -34.7791 -34.7790 -34.7790 -20.5617 -20.5617 -20.5617 -20.5617 -7.3326 -7.3326 -7.3319 -7.3319 -5.4974 -5.4974 -5.4285 -5.4285 -5.2844 -5.2844 -5.2118 -5.2118 -0.0260 -0.0260 -0.0259 -0.0259 4.3569 4.3569 4.3747 4.3747 6.0901 6.0901 6.0981 6.0981 6.2644 6.2644 6.2668 6.2668 8.2997 8.2997 8.3014 8.3014 8.9082 8.9082 8.9284 8.9284 11.6623 11.6623 k = 0.4265 0.5000-0.0000 ( 8828 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0712 -35.0712 -35.0712 -35.0712 -34.7876 -34.7876 -34.7876 -34.7876 -34.7790 -34.7790 -34.7790 -34.7790 -20.5615 -20.5615 -20.5615 -20.5615 -7.3332 -7.3332 -7.3326 -7.3326 -5.4938 -5.4938 -5.4361 -5.4361 -5.2782 -5.2782 -5.2175 -5.2175 -0.0262 -0.0262 -0.0261 -0.0261 4.3495 4.3495 4.3644 4.3644 6.0935 6.0935 6.1014 6.1014 6.2561 6.2561 6.2589 6.2589 8.3313 8.3313 8.3343 8.3343 8.8726 8.8726 8.8916 8.8916 11.7153 11.7153 k = 0.4412 0.5000-0.0000 ( 8840 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0713 -35.0713 -35.0713 -35.0713 -34.7877 -34.7877 -34.7877 -34.7877 -34.7790 -34.7790 -34.7790 -34.7790 -20.5613 -20.5613 -20.5613 -20.5613 -7.3337 -7.3337 -7.3332 -7.3332 -5.4897 -5.4897 -5.4434 -5.4434 -5.2720 -5.2720 -5.2233 -5.2233 -0.0263 -0.0263 -0.0263 -0.0263 4.3436 4.3436 4.3554 4.3554 6.0945 6.0945 6.1015 6.1015 6.2519 6.2519 6.2545 6.2545 8.3628 8.3628 8.3667 8.3667 8.8379 8.8379 8.8550 8.8550 11.7660 11.7660 k = 0.4559 0.5000-0.0000 ( 8840 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0713 -35.0713 -35.0713 -35.0713 -34.7877 -34.7877 -34.7877 -34.7877 -34.7790 -34.7790 -34.7790 -34.7790 -20.5612 -20.5612 -20.5612 -20.5612 -7.3341 -7.3341 -7.3337 -7.3337 -5.4853 -5.4853 -5.4505 -5.4505 -5.2658 -5.2658 -5.2292 -5.2292 -0.0265 -0.0265 -0.0264 -0.0264 4.3392 4.3392 4.3481 4.3481 6.0941 6.0941 6.0996 6.0996 6.2505 6.2505 6.2526 6.2526 8.3926 8.3926 8.3970 8.3970 8.8060 8.8060 8.8205 8.8205 11.8127 11.8127 k = 0.4706 0.5000-0.0000 ( 8838 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0713 -35.0713 -35.0713 -35.0713 -34.7877 -34.7877 -34.7877 -34.7877 -34.7789 -34.7789 -34.7789 -34.7789 -20.5611 -20.5611 -20.5611 -20.5611 -7.3343 -7.3343 -7.3341 -7.3341 -5.4804 -5.4804 -5.4572 -5.4572 -5.2596 -5.2596 -5.2351 -5.2351 -0.0266 -0.0266 -0.0266 -0.0266 4.3364 4.3364 4.3423 4.3423 6.0933 6.0933 6.0970 6.0970 6.2506 6.2506 6.2520 6.2520 8.4185 8.4185 8.4225 8.4225 8.7797 8.7797 8.7906 8.7906 11.8537 11.8537 k = 0.4853 0.5000-0.0000 ( 8848 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0713 -35.0713 -35.0713 -35.0713 -34.7878 -34.7878 -34.7878 -34.7878 -34.7789 -34.7789 -34.7789 -34.7789 -20.5610 -20.5610 -20.5610 -20.5610 -7.3344 -7.3344 -7.3343 -7.3343 -5.4752 -5.4752 -5.4635 -5.4635 -5.2534 -5.2534 -5.2412 -5.2412 -0.0266 -0.0266 -0.0266 -0.0266 4.3353 4.3353 4.3383 4.3383 6.0928 6.0928 6.0947 6.0947 6.2512 6.2512 6.2519 6.2519 8.4372 8.4372 8.4396 8.4396 8.7627 8.7627 8.7687 8.7687 11.8865 11.8865 k = 0.5000 0.5000-0.0000 ( 8872 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0713 -35.0713 -35.0713 -35.0713 -34.7878 -34.7878 -34.7878 -34.7878 -34.7789 -34.7789 -34.7789 -34.7789 -20.5610 -20.5610 -20.5610 -20.5610 -7.3344 -7.3344 -7.3344 -7.3344 -5.4695 -5.4695 -5.4695 -5.4695 -5.2473 -5.2473 -5.2473 -5.2473 -0.0267 -0.0267 -0.0267 -0.0267 4.3359 4.3359 4.3359 4.3359 6.0932 6.0932 6.0932 6.0932 6.2517 6.2517 6.2517 6.2517 8.4450 8.4450 8.4450 8.4450 8.7586 8.7586 8.7586 8.7586 11.9084 11.9084 k = 0.5000 0.5000-0.0000 ( 8872 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0713 -35.0713 -35.0713 -35.0713 -34.7878 -34.7878 -34.7878 -34.7878 -34.7789 -34.7789 -34.7789 -34.7789 -20.5610 -20.5610 -20.5610 -20.5610 -7.3344 -7.3344 -7.3344 -7.3344 -5.4695 -5.4695 -5.4695 -5.4695 -5.2473 -5.2473 -5.2473 -5.2473 -0.0267 -0.0267 -0.0267 -0.0267 4.3359 4.3359 4.3359 4.3359 6.0932 6.0932 6.0932 6.0932 6.2517 6.2517 6.2517 6.2517 8.4450 8.4450 8.4450 8.4450 8.7586 8.7586 8.7586 8.7586 11.9084 11.9084 k = 0.4896 0.4896-0.0000 ( 8852 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0713 -35.0713 -35.0713 -35.0713 -34.7878 -34.7878 -34.7878 -34.7878 -34.7789 -34.7789 -34.7789 -34.7789 -20.5611 -20.5611 -20.5610 -20.5610 -7.3345 -7.3345 -7.3343 -7.3343 -5.4752 -5.4752 -5.4635 -5.4635 -5.2534 -5.2534 -5.2411 -5.2411 -0.0274 -0.0274 -0.0259 -0.0259 4.3353 4.3353 4.3383 4.3383 6.0926 6.0926 6.0948 6.0948 6.2506 6.2506 6.2525 6.2525 8.4325 8.4325 8.4444 8.4444 8.7617 8.7617 8.7697 8.7697 11.8864 11.8864 k = 0.4792 0.4792-0.0000 ( 8842 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0713 -35.0713 -35.0712 -35.0712 -34.7878 -34.7878 -34.7877 -34.7877 -34.7790 -34.7790 -34.7789 -34.7789 -20.5613 -20.5613 -20.5609 -20.5609 -7.3346 -7.3346 -7.3338 -7.3338 -5.4804 -5.4804 -5.4572 -5.4572 -5.2596 -5.2596 -5.2351 -5.2351 -0.0296 -0.0296 -0.0235 -0.0235 4.3362 4.3362 4.3426 4.3426 6.0920 6.0920 6.0979 6.0979 6.2482 6.2482 6.2549 6.2549 8.3995 8.3995 8.4421 8.4421 8.7744 8.7744 8.7950 8.7950 11.8547 11.8547 k = 0.4688 0.4687-0.0000 ( 8832 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0713 -35.0713 -35.0712 -35.0712 -34.7877 -34.7877 -34.7877 -34.7877 -34.7790 -34.7790 -34.7789 -34.7789 -20.5615 -20.5615 -20.5609 -20.5609 -7.3348 -7.3348 -7.3329 -7.3329 -5.4852 -5.4852 -5.4505 -5.4505 -5.2659 -5.2659 -5.2291 -5.2291 -0.0334 -0.0334 -0.0197 -0.0197 4.3386 4.3386 4.3490 4.3490 6.0891 6.0891 6.1026 6.1026 6.2466 6.2466 6.2588 6.2588 8.3532 8.3532 8.4385 8.4385 8.7952 8.7952 8.8286 8.8286 11.8176 11.8176 k = 0.4583 0.4583-0.0000 ( 8834 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0713 -35.0713 -35.0712 -35.0712 -34.7877 -34.7877 -34.7876 -34.7876 -34.7791 -34.7791 -34.7789 -34.7789 -20.5620 -20.5620 -20.5607 -20.5607 -7.3351 -7.3351 -7.3318 -7.3318 -5.4896 -5.4896 -5.4435 -5.4435 -5.2721 -5.2721 -5.2232 -5.2232 -0.0386 -0.0386 -0.0143 -0.0143 4.3424 4.3424 4.3576 4.3576 6.0813 6.0813 6.1091 6.1091 6.2487 6.2487 6.2644 6.2644 8.2992 8.2992 8.4335 8.4335 8.8228 8.8228 8.8650 8.8650 11.7746 11.7746 k = 0.4479 0.4479-0.0000 ( 8830 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0713 -35.0713 -35.0712 -35.0712 -34.7877 -34.7877 -34.7876 -34.7876 -34.7791 -34.7791 -34.7789 -34.7789 -20.5625 -20.5625 -20.5606 -20.5606 -7.3354 -7.3354 -7.3303 -7.3303 -5.4935 -5.4935 -5.4362 -5.4362 -5.2784 -5.2784 -5.2174 -5.2174 -0.0453 -0.0453 -0.0076 -0.0076 4.3477 4.3477 4.3684 4.3684 6.0663 6.0663 6.1173 6.1173 6.2570 6.2570 6.2716 6.2716 8.2410 8.2410 8.4273 8.4273 8.8558 8.8558 8.9012 8.9012 11.7206 11.7206 k = 0.4375 0.4375-0.0000 ( 8824 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0714 -35.0714 -35.0711 -35.0711 -34.7877 -34.7877 -34.7875 -34.7875 -34.7792 -34.7792 -34.7789 -34.7789 -20.5631 -20.5631 -20.5604 -20.5604 -7.3358 -7.3358 -7.3286 -7.3286 -5.4969 -5.4969 -5.4287 -5.4287 -5.2847 -5.2847 -5.2116 -5.2116 -0.0535 -0.0535 0.0004 0.0004 4.3545 4.3545 4.3815 4.3815 6.0441 6.0441 6.1271 6.1271 6.2720 6.2720 6.2806 6.2806 8.1811 8.1811 8.4198 8.4198 8.8927 8.8927 8.9357 8.9357 11.6587 11.6587 k = 0.4271 0.4271-0.0000 ( 8810 PWs) bands (ev): -68.1306 -68.1306 -68.1305 -68.1305 -35.0714 -35.0714 -35.0711 -35.0711 -34.7877 -34.7877 -34.7874 -34.7874 -34.7793 -34.7793 -34.7789 -34.7789 -20.5639 -20.5639 -20.5602 -20.5602 -7.3362 -7.3362 -7.3264 -7.3264 -5.4998 -5.4998 -5.4210 -5.4210 -5.2909 -5.2909 -5.2059 -5.2059 -0.0633 -0.0633 0.0095 0.0095 4.3630 4.3630 4.3969 4.3969 6.0157 6.0157 6.1386 6.1386 6.2909 6.2909 6.2930 6.2930 8.1210 8.1210 8.4112 8.4112 8.9314 8.9314 8.9676 8.9676 11.5961 11.5961 k = 0.4167 0.4167-0.0000 ( 8817 PWs) bands (ev): -68.1306 -68.1306 -68.1305 -68.1305 -35.0714 -35.0714 -35.0710 -35.0710 -34.7876 -34.7876 -34.7873 -34.7873 -34.7794 -34.7794 -34.7789 -34.7789 -20.5647 -20.5647 -20.5599 -20.5599 -7.3367 -7.3367 -7.3240 -7.3240 -5.5022 -5.5022 -5.4131 -5.4131 -5.2971 -5.2971 -5.2003 -5.2003 -0.0746 -0.0746 0.0197 0.0197 4.3734 4.3734 4.4146 4.4146 5.9830 5.9830 6.1516 6.1516 6.3037 6.3037 6.3170 6.3170 8.0626 8.0626 8.4015 8.4015 8.9696 8.9696 8.9972 8.9972 11.5372 11.5372 k = 0.4062 0.4062-0.0000 ( 8817 PWs) bands (ev): -68.1306 -68.1306 -68.1305 -68.1305 -35.0715 -35.0715 -35.0710 -35.0710 -34.7876 -34.7876 -34.7872 -34.7872 -34.7796 -34.7796 -34.7788 -34.7788 -20.5657 -20.5657 -20.5596 -20.5596 -7.3373 -7.3373 -7.3213 -7.3213 -5.5040 -5.5040 -5.4051 -5.4051 -5.3031 -5.3031 -5.1948 -5.1948 -0.0874 -0.0874 0.0306 0.0306 4.3857 4.3857 4.4345 4.4345 5.9475 5.9475 6.1661 6.1661 6.3182 6.3182 6.3432 6.3432 8.0073 8.0073 8.3909 8.3909 9.0042 9.0042 9.0255 9.0255 11.4844 11.4844 k = 0.3958 0.3958-0.0000 ( 8815 PWs) bands (ev): -68.1307 -68.1307 -68.1305 -68.1305 -35.0715 -35.0715 -35.0709 -35.0709 -34.7876 -34.7876 -34.7871 -34.7871 -34.7797 -34.7797 -34.7788 -34.7788 -20.5667 -20.5667 -20.5593 -20.5593 -7.3379 -7.3379 -7.3183 -7.3183 -5.5054 -5.5054 -5.3970 -5.3970 -5.3090 -5.3090 -5.1894 -5.1894 -0.1017 -0.1017 0.0423 0.0423 4.4001 4.4001 4.4568 4.4568 5.9107 5.9107 6.1820 6.1820 6.3347 6.3347 6.3693 6.3693 7.9570 7.9570 8.3792 8.3792 9.0323 9.0323 9.0543 9.0543 11.4387 11.4387 k = 0.3854 0.3854-0.0000 ( 8807 PWs) bands (ev): -68.1307 -68.1307 -68.1305 -68.1305 -35.0716 -35.0716 -35.0708 -35.0708 -34.7876 -34.7876 -34.7870 -34.7870 -34.7799 -34.7799 -34.7788 -34.7788 -20.5678 -20.5678 -20.5590 -20.5590 -7.3386 -7.3386 -7.3149 -7.3149 -5.5061 -5.5061 -5.3889 -5.3889 -5.3147 -5.3147 -5.1841 -5.1841 -0.1176 -0.1176 0.0544 0.0544 4.4167 4.4167 4.4813 4.4813 5.8735 5.8735 6.1991 6.1991 6.3533 6.3533 6.3934 6.3934 7.9137 7.9137 8.3668 8.3668 9.0543 9.0543 9.0816 9.0816 11.3998 11.3998 k = 0.3750 0.3750-0.0000 ( 8803 PWs) bands (ev): -68.1307 -68.1307 -68.1305 -68.1305 -35.0717 -35.0717 -35.0707 -35.0707 -34.7875 -34.7875 -34.7869 -34.7869 -34.7801 -34.7801 -34.7788 -34.7788 -20.5691 -20.5691 -20.5586 -20.5586 -7.3393 -7.3393 -7.3113 -7.3113 -5.5064 -5.5064 -5.3810 -5.3810 -5.3200 -5.3200 -5.1790 -5.1790 -0.1350 -0.1350 0.0668 0.0668 4.4357 4.4357 4.5081 4.5081 5.8370 5.8370 6.2175 6.2175 6.3740 6.3740 6.4134 6.4134 7.8794 7.8794 8.3535 8.3535 9.0730 9.0730 9.1041 9.1041 11.3656 11.3656 k = 0.3646 0.3646-0.0000 ( 8789 PWs) bands (ev): -68.1307 -68.1307 -68.1305 -68.1305 -35.0717 -35.0717 -35.0706 -35.0706 -34.7875 -34.7875 -34.7867 -34.7867 -34.7802 -34.7802 -34.7787 -34.7787 -20.5704 -20.5704 -20.5582 -20.5582 -7.3400 -7.3400 -7.3074 -7.3074 -5.5061 -5.5061 -5.3734 -5.3734 -5.3246 -5.3246 -5.1739 -5.1739 -0.1540 -0.1540 0.0792 0.0792 4.4572 4.4572 4.5371 4.5371 5.8018 5.8018 6.2370 6.2370 6.3968 6.3968 6.4274 6.4274 7.8563 7.8563 8.3396 8.3396 9.0899 9.0899 9.1202 9.1202 11.3314 11.3314 k = 0.3542 0.3542-0.0000 ( 8783 PWs) bands (ev): -68.1307 -68.1307 -68.1305 -68.1305 -35.0718 -35.0718 -35.0705 -35.0705 -34.7875 -34.7875 -34.7866 -34.7866 -34.7804 -34.7804 -34.7787 -34.7787 -20.5718 -20.5718 -20.5578 -20.5578 -7.3407 -7.3407 -7.3033 -7.3033 -5.5052 -5.5052 -5.3669 -5.3669 -5.3280 -5.3280 -5.1690 -5.1690 -0.1744 -0.1744 0.0916 0.0916 4.4810 4.4810 4.5684 4.5684 5.7687 5.7687 6.2575 6.2575 6.4217 6.4217 6.4337 6.4337 7.8462 7.8462 8.3250 8.3250 9.1057 9.1057 9.1295 9.1295 11.2902 11.2902 k = 0.3438 0.3437-0.0000 ( 8783 PWs) bands (ev): -68.1307 -68.1307 -68.1304 -68.1304 -35.0719 -35.0719 -35.0704 -35.0704 -34.7874 -34.7874 -34.7864 -34.7864 -34.7807 -34.7807 -34.7786 -34.7786 -20.5732 -20.5732 -20.5573 -20.5573 -7.3415 -7.3415 -7.2988 -7.2988 -5.5039 -5.5039 -5.3624 -5.3624 -5.3291 -5.3291 -5.1642 -5.1642 -0.1964 -0.1964 0.1036 0.1036 4.5073 4.5073 4.6018 4.6018 5.7383 5.7383 6.2789 6.2789 6.4308 6.4308 6.4492 6.4492 7.8504 7.8504 8.3098 8.3098 9.1201 9.1201 9.1332 9.1332 11.2339 11.2339 k = 0.3333 0.3333-0.0000 ( 8795 PWs) bands (ev): -68.1307 -68.1307 -68.1304 -68.1304 -35.0720 -35.0720 -35.0704 -35.0704 -34.7874 -34.7874 -34.7863 -34.7863 -34.7809 -34.7809 -34.7786 -34.7786 -20.5748 -20.5748 -20.5569 -20.5569 -7.3423 -7.3423 -7.2942 -7.2942 -5.5020 -5.5020 -5.3610 -5.3610 -5.3267 -5.3267 -5.1595 -5.1595 -0.2197 -0.2197 0.1150 0.1150 4.5361 4.5361 4.6373 4.6373 5.7109 5.7109 6.3008 6.3008 6.4196 6.4196 6.4784 6.4784 7.8695 7.8695 8.2940 8.2940 9.1234 9.1234 9.1425 9.1425 11.1573 11.1573 k = 0.3229 0.3229-0.0000 ( 8801 PWs) bands (ev): -68.1308 -68.1308 -68.1304 -68.1304 -35.0720 -35.0720 -35.0703 -35.0703 -34.7874 -34.7874 -34.7862 -34.7862 -34.7811 -34.7811 -34.7786 -34.7786 -20.5764 -20.5764 -20.5564 -20.5564 -7.3431 -7.3431 -7.2893 -7.2893 -5.4996 -5.4996 -5.3626 -5.3626 -5.3212 -5.3212 -5.1550 -5.1550 -0.2445 -0.2445 0.1258 0.1258 4.5671 4.5671 4.6750 4.6750 5.6870 5.6870 6.3220 6.3220 6.4012 6.4012 6.5097 6.5097 7.9033 7.9033 8.2778 8.2778 9.1145 9.1145 9.1600 9.1600 11.0611 11.0611 k = 0.3125 0.3125-0.0000 ( 8797 PWs) bands (ev): -68.1308 -68.1308 -68.1304 -68.1304 -35.0721 -35.0721 -35.0702 -35.0702 -34.7873 -34.7873 -34.7860 -34.7860 -34.7814 -34.7814 -34.7785 -34.7785 -20.5780 -20.5780 -20.5559 -20.5559 -7.3438 -7.3438 -7.2842 -7.2842 -5.4968 -5.4968 -5.3657 -5.3657 -5.3137 -5.3137 -5.1506 -5.1506 -0.2707 -0.2707 0.1356 0.1356 4.6001 4.6001 4.7147 4.7147 5.6669 5.6669 6.3351 6.3351 6.3845 6.3845 6.5428 6.5428 7.9507 7.9507 8.2611 8.2611 9.1006 9.1006 9.1804 9.1804 10.9495 10.9495 k = 0.3021 0.3021-0.0000 ( 8805 PWs) bands (ev): -68.1308 -68.1308 -68.1304 -68.1304 -35.0722 -35.0722 -35.0701 -35.0701 -34.7873 -34.7873 -34.7859 -34.7859 -34.7816 -34.7816 -34.7784 -34.7784 -20.5797 -20.5797 -20.5554 -20.5554 -7.3446 -7.3446 -7.2788 -7.2788 -5.4936 -5.4936 -5.3696 -5.3696 -5.3052 -5.3052 -5.1465 -5.1465 -0.2982 -0.2982 0.1445 0.1445 4.6350 4.6350 4.7565 4.7565 5.6509 5.6509 6.3190 6.3190 6.3924 6.3924 6.5777 6.5777 8.0102 8.0102 8.2438 8.2438 9.0835 9.0835 9.2036 9.2036 10.8279 10.8279 k = 0.2917 0.2917-0.0000 ( 8809 PWs) bands (ev): -68.1308 -68.1308 -68.1303 -68.1303 -35.0723 -35.0723 -35.0700 -35.0700 -34.7873 -34.7873 -34.7857 -34.7857 -34.7819 -34.7819 -34.7784 -34.7784 -20.5814 -20.5814 -20.5549 -20.5549 -7.3454 -7.3454 -7.2733 -7.2733 -5.4900 -5.4900 -5.3736 -5.3736 -5.2961 -5.2961 -5.1424 -5.1424 -0.3268 -0.3268 0.1521 0.1521 4.6712 4.6712 4.8003 4.8003 5.6392 5.6392 6.2845 6.2845 6.4161 6.4161 6.6142 6.6142 8.0800 8.0800 8.2261 8.2261 9.0648 9.0648 9.2301 9.2301 10.7005 10.7005 k = 0.2812 0.2812-0.0000 ( 8809 PWs) bands (ev): -68.1308 -68.1308 -68.1303 -68.1303 -35.0724 -35.0724 -35.0698 -35.0698 -34.7872 -34.7872 -34.7856 -34.7856 -34.7821 -34.7821 -34.7783 -34.7783 -20.5832 -20.5832 -20.5544 -20.5544 -7.3461 -7.3461 -7.2677 -7.2677 -5.4860 -5.4860 -5.3776 -5.3776 -5.2867 -5.2867 -5.1386 -5.1386 -0.3567 -0.3567 0.1585 0.1585 4.7081 4.7081 4.8461 4.8461 5.6318 5.6318 6.2454 6.2454 6.4442 6.4442 6.6520 6.6520 8.1581 8.1581 8.2078 8.2078 9.0456 9.0456 9.2603 9.2603 10.5701 10.5701 k = 0.2708 0.2708-0.0000 ( 8807 PWs) bands (ev): -68.1309 -68.1309 -68.1303 -68.1303 -35.0725 -35.0725 -35.0697 -35.0697 -34.7872 -34.7872 -34.7854 -34.7854 -34.7824 -34.7824 -34.7782 -34.7782 -20.5849 -20.5849 -20.5539 -20.5539 -7.3468 -7.3468 -7.2619 -7.2619 -5.4819 -5.4819 -5.3814 -5.3814 -5.2770 -5.2770 -5.1350 -5.1350 -0.3875 -0.3875 0.1635 0.1635 4.7452 4.7452 4.8938 4.8938 5.6289 5.6289 6.2059 6.2059 6.4746 6.4746 6.6908 6.6908 8.1883 8.1883 8.2431 8.2431 9.0272 9.0272 9.2948 9.2948 10.4389 10.4389 k = 0.2604 0.2604-0.0000 ( 8819 PWs) bands (ev): -68.1309 -68.1309 -68.1303 -68.1303 -35.0726 -35.0726 -35.0696 -35.0696 -34.7871 -34.7871 -34.7853 -34.7853 -34.7826 -34.7826 -34.7781 -34.7781 -20.5867 -20.5867 -20.5534 -20.5534 -7.3475 -7.3475 -7.2560 -7.2560 -5.4776 -5.4776 -5.3848 -5.3848 -5.2672 -5.2672 -5.1315 -5.1315 -0.4193 -0.4193 0.1671 0.1671 4.7813 4.7813 4.9433 4.9433 5.6304 5.6304 6.1686 6.1686 6.5069 6.5069 6.7304 6.7304 8.1684 8.1684 8.3321 8.3321 9.0106 9.0106 9.3342 9.3342 10.3083 10.3083 k = 0.2500 0.2500-0.0000 ( 8803 PWs) bands (ev): -68.1309 -68.1309 -68.1303 -68.1303 -35.0727 -35.0727 -35.0695 -35.0695 -34.7871 -34.7871 -34.7852 -34.7852 -34.7829 -34.7829 -34.7780 -34.7780 -20.5885 -20.5885 -20.5528 -20.5528 -7.3481 -7.3481 -7.2500 -7.2500 -5.4733 -5.4733 -5.3877 -5.3877 -5.2574 -5.2574 -5.1283 -5.1283 -0.4518 -0.4518 0.1693 0.1693 4.8155 4.8155 4.9947 4.9947 5.6364 5.6364 6.1360 6.1360 6.5410 6.5410 6.7705 6.7705 8.1474 8.1474 8.4237 8.4237 8.9966 8.9966 9.3792 9.3792 10.1795 10.1795 k = 0.2396 0.2396-0.0000 ( 8807 PWs) bands (ev): -68.1309 -68.1309 -68.1302 -68.1302 -35.0728 -35.0728 -35.0694 -35.0694 -34.7871 -34.7871 -34.7850 -34.7850 -34.7831 -34.7831 -34.7779 -34.7779 -20.5903 -20.5903 -20.5523 -20.5523 -7.3487 -7.3487 -7.2439 -7.2439 -5.4690 -5.4690 -5.3900 -5.3900 -5.2476 -5.2476 -5.1251 -5.1251 -0.4851 -0.4851 0.1700 0.1700 4.8464 4.8464 5.0479 5.0479 5.6467 5.6467 6.1102 6.1102 6.5768 6.5768 6.8106 6.8106 8.1251 8.1251 8.5158 8.5158 8.9862 8.9862 9.4305 9.4305 10.0532 10.0532 k = 0.2292 0.2292-0.0000 ( 8807 PWs) bands (ev): -68.1310 -68.1310 -68.1302 -68.1302 -35.0729 -35.0729 -35.0693 -35.0693 -34.7870 -34.7870 -34.7849 -34.7849 -34.7834 -34.7834 -34.7778 -34.7778 -20.5921 -20.5921 -20.5518 -20.5518 -7.3492 -7.3492 -7.2378 -7.2378 -5.4651 -5.4651 -5.3915 -5.3915 -5.2378 -5.2378 -5.1222 -5.1222 -0.5189 -0.5189 0.1694 0.1694 4.8727 4.8727 5.1028 5.1028 5.6612 5.6612 6.0933 6.0933 6.6145 6.6145 6.8504 6.8504 8.1012 8.1012 8.6062 8.6062 8.9800 8.9800 9.4889 9.4889 9.9305 9.9305 k = 0.2188 0.2187-0.0000 ( 8813 PWs) bands (ev): -68.1310 -68.1310 -68.1302 -68.1302 -35.0730 -35.0730 -35.0692 -35.0692 -34.7870 -34.7870 -34.7848 -34.7848 -34.7836 -34.7836 -34.7777 -34.7777 -20.5939 -20.5939 -20.5513 -20.5513 -7.3497 -7.3497 -7.2317 -7.2317 -5.4617 -5.4617 -5.3920 -5.3920 -5.2282 -5.2282 -5.1193 -5.1193 -0.5530 -0.5530 0.1674 0.1674 4.8931 4.8931 5.1595 5.1595 5.6797 5.6797 6.0870 6.0870 6.6539 6.6539 6.8893 6.8893 8.0753 8.0753 8.6927 8.6927 8.9787 8.9787 9.5546 9.5546 9.8127 9.8127 k = 0.2083 0.2083-0.0000 ( 8821 PWs) bands (ev): -68.1310 -68.1310 -68.1302 -68.1302 -35.0731 -35.0731 -35.0691 -35.0691 -34.7870 -34.7870 -34.7847 -34.7847 -34.7839 -34.7839 -34.7776 -34.7776 -20.5957 -20.5957 -20.5508 -20.5508 -7.3502 -7.3502 -7.2256 -7.2256 -5.4590 -5.4590 -5.3914 -5.3914 -5.2188 -5.2188 -5.1164 -5.1164 -0.5873 -0.5873 0.1641 0.1641 4.9065 4.9065 5.2177 5.2177 5.7020 5.7020 6.0930 6.0930 6.6951 6.6951 6.9269 6.9269 8.0473 8.0473 8.7731 8.7731 8.9830 8.9830 9.6198 9.6198 9.7087 9.7087 k = 0.1979 0.1979-0.0000 ( 8825 PWs) bands (ev): -68.1310 -68.1310 -68.1302 -68.1302 -35.0732 -35.0732 -35.0690 -35.0690 -34.7869 -34.7869 -34.7846 -34.7846 -34.7842 -34.7842 -34.7774 -34.7774 -20.5974 -20.5974 -20.5503 -20.5503 -7.3506 -7.3506 -7.2195 -7.2195 -5.4570 -5.4570 -5.3896 -5.3896 -5.2098 -5.2098 -5.1136 -5.1136 -0.6217 -0.6217 0.1597 0.1597 4.9124 4.9124 5.2775 5.2775 5.7279 5.7279 6.1121 6.1121 6.7381 6.7381 6.9625 6.9625 8.0165 8.0165 8.8453 8.8453 8.9934 8.9934 9.5743 9.5743 9.7298 9.7298 k = 0.1875 0.1875-0.0000 ( 8819 PWs) bands (ev): -68.1310 -68.1310 -68.1301 -68.1301 -35.0733 -35.0733 -35.0689 -35.0689 -34.7869 -34.7869 -34.7845 -34.7845 -34.7844 -34.7844 -34.7773 -34.7773 -20.5991 -20.5991 -20.5498 -20.5498 -7.3510 -7.3510 -7.2135 -7.2135 -5.4559 -5.4559 -5.3866 -5.3866 -5.2013 -5.2013 -5.1106 -5.1106 -0.6559 -0.6559 0.1543 0.1543 4.9109 4.9109 5.3389 5.3389 5.7571 5.7571 6.1443 6.1443 6.7830 6.7830 6.9956 6.9956 7.9828 7.9828 8.9079 8.9079 9.0104 9.0104 9.4736 9.4736 9.8200 9.8200 k = 0.1771 0.1771-0.0000 ( 8817 PWs) bands (ev): -68.1311 -68.1311 -68.1301 -68.1301 -35.0734 -35.0734 -35.0688 -35.0688 -34.7869 -34.7869 -34.7846 -34.7846 -34.7844 -34.7844 -34.7772 -34.7772 -20.6007 -20.6007 -20.5493 -20.5493 -7.3513 -7.3513 -7.2077 -7.2077 -5.4555 -5.4555 -5.3824 -5.3824 -5.1935 -5.1935 -5.1075 -5.1075 -0.6898 -0.6898 0.1480 0.1480 4.9026 4.9026 5.4016 5.4016 5.7893 5.7893 6.1893 6.1893 6.8295 6.8295 7.0256 7.0256 7.9457 7.9457 8.9598 8.9598 9.0341 9.0341 9.3757 9.3757 9.9061 9.9061 k = 0.1667 0.1667-0.0000 ( 8809 PWs) bands (ev): -68.1311 -68.1311 -68.1301 -68.1301 -35.0735 -35.0735 -35.0687 -35.0687 -34.7868 -34.7868 -34.7848 -34.7848 -34.7844 -34.7844 -34.7770 -34.7770 -20.6023 -20.6023 -20.5488 -20.5488 -7.3516 -7.3516 -7.2019 -7.2019 -5.4558 -5.4558 -5.3774 -5.3774 -5.1865 -5.1865 -5.1039 -5.1039 -0.7231 -0.7231 0.1409 0.1409 4.8886 4.8886 5.4657 5.4657 5.8243 5.8243 6.2460 6.2460 6.8778 6.8778 7.0520 7.0520 7.9050 7.9050 9.0013 9.0013 9.0633 9.0633 9.2840 9.2840 9.8729 9.8729 k = 0.1562 0.1562-0.0000 ( 8803 PWs) bands (ev): -68.1311 -68.1311 -68.1301 -68.1301 -35.0736 -35.0736 -35.0686 -35.0686 -34.7868 -34.7868 -34.7850 -34.7850 -34.7843 -34.7843 -34.7769 -34.7769 -20.6038 -20.6038 -20.5484 -20.5484 -7.3518 -7.3518 -7.1963 -7.1963 -5.4564 -5.4564 -5.3716 -5.3716 -5.1805 -5.1805 -5.0999 -5.0999 -0.7557 -0.7557 0.1332 0.1332 4.8701 4.8701 5.5310 5.5310 5.8618 5.8618 6.3132 6.3132 6.9274 6.9274 7.0745 7.0745 7.8604 7.8604 9.0330 9.0330 9.0952 9.0952 9.2014 9.2014 9.8241 9.8241 k = 0.1458 0.1458-0.0000 ( 8799 PWs) bands (ev): -68.1311 -68.1311 -68.1301 -68.1301 -35.0737 -35.0737 -35.0685 -35.0685 -34.7868 -34.7868 -34.7852 -34.7852 -34.7842 -34.7842 -34.7768 -34.7768 -20.6053 -20.6053 -20.5480 -20.5480 -7.3520 -7.3520 -7.1910 -7.1910 -5.4574 -5.4574 -5.3652 -5.3652 -5.1756 -5.1756 -5.0954 -5.0954 -0.7874 -0.7874 0.1251 0.1251 4.8483 4.8483 5.5974 5.5974 5.9015 5.9015 6.3897 6.3897 6.9777 6.9777 7.0930 7.0930 7.8119 7.8119 9.0488 9.0488 9.1121 9.1121 9.1517 9.1517 9.7450 9.7450 k = 0.1354 0.1354-0.0000 ( 8807 PWs) bands (ev): -68.1311 -68.1311 -68.1301 -68.1301 -35.0738 -35.0738 -35.0684 -35.0684 -34.7868 -34.7868 -34.7854 -34.7854 -34.7842 -34.7842 -34.7767 -34.7767 -20.6067 -20.6067 -20.5476 -20.5476 -7.3522 -7.3522 -7.1858 -7.1858 -5.4586 -5.4586 -5.3585 -5.3585 -5.1718 -5.1718 -5.0904 -5.0904 -0.8180 -0.8180 0.1167 0.1167 4.8246 4.8246 5.6647 5.6647 5.9433 5.9433 6.4740 6.4740 7.0266 7.0266 7.1092 7.1092 7.7596 7.7596 9.0211 9.0211 9.0907 9.0907 9.1853 9.1853 9.6295 9.6295 k = 0.1250 0.1250-0.0000 ( 8803 PWs) bands (ev): -68.1311 -68.1311 -68.1300 -68.1300 -35.0738 -35.0738 -35.0683 -35.0683 -34.7868 -34.7868 -34.7856 -34.7856 -34.7841 -34.7841 -34.7765 -34.7765 -20.6080 -20.6080 -20.5472 -20.5472 -7.3523 -7.3523 -7.1809 -7.1809 -5.4598 -5.4598 -5.3516 -5.3516 -5.1692 -5.1692 -5.0849 -5.0849 -0.8473 -0.8473 0.1082 0.1082 4.7998 4.7998 5.7328 5.7328 5.9867 5.9867 6.5649 6.5649 7.0661 7.0661 7.1308 7.1308 7.7035 7.7035 8.9644 8.9644 9.0835 9.0835 9.2348 9.2348 9.5141 9.5141 k = 0.1146 0.1146-0.0000 ( 8789 PWs) bands (ev): -68.1312 -68.1312 -68.1300 -68.1300 -35.0739 -35.0739 -35.0682 -35.0682 -34.7868 -34.7868 -34.7857 -34.7857 -34.7841 -34.7841 -34.7764 -34.7764 -20.6092 -20.6092 -20.5468 -20.5468 -7.3524 -7.3524 -7.1763 -7.1763 -5.4611 -5.4611 -5.3446 -5.3446 -5.1677 -5.1677 -5.0791 -5.0791 -0.8751 -0.8751 0.0998 0.0998 4.7748 4.7748 5.8015 5.8015 6.0315 6.0315 6.6612 6.6612 7.0830 7.0830 7.1708 7.1708 7.6442 7.6442 8.9091 8.9091 9.0688 9.0688 9.2905 9.2905 9.4010 9.4010 k = 0.1042 0.1042-0.0000 ( 8797 PWs) bands (ev): -68.1312 -68.1312 -68.1300 -68.1300 -35.0740 -35.0740 -35.0682 -35.0682 -34.7868 -34.7868 -34.7858 -34.7858 -34.7840 -34.7840 -34.7763 -34.7763 -20.6103 -20.6103 -20.5465 -20.5465 -7.3524 -7.3524 -7.1719 -7.1719 -5.4624 -5.4624 -5.3376 -5.3376 -5.1671 -5.1671 -5.0730 -5.0730 -0.9011 -0.9011 0.0915 0.0915 4.7503 4.7503 5.8704 5.8704 6.0776 6.0776 6.7616 6.7616 7.0827 7.0827 7.2240 7.2240 7.5819 7.5819 8.8597 8.8597 9.0423 9.0423 9.2906 9.2906 9.3507 9.3507 k = 0.0938 0.0937-0.0000 ( 8793 PWs) bands (ev): -68.1312 -68.1312 -68.1300 -68.1300 -35.0740 -35.0740 -35.0681 -35.0681 -34.7868 -34.7868 -34.7859 -34.7859 -34.7840 -34.7840 -34.7762 -34.7762 -20.6114 -20.6114 -20.5462 -20.5462 -7.3525 -7.3525 -7.1679 -7.1679 -5.4636 -5.4636 -5.3307 -5.3307 -5.1673 -5.1673 -5.0670 -5.0670 -0.9253 -0.9253 0.0836 0.0836 4.7270 4.7270 5.9393 5.9393 6.1246 6.1246 6.8641 6.8641 7.0745 7.0745 7.2821 7.2821 7.5173 7.5173 8.8169 8.8169 9.0036 9.0036 9.1841 9.1841 9.4131 9.4131 k = 0.0833 0.0833-0.0000 ( 8795 PWs) bands (ev): -68.1312 -68.1312 -68.1300 -68.1300 -35.0741 -35.0741 -35.0680 -35.0680 -34.7869 -34.7869 -34.7860 -34.7860 -34.7840 -34.7840 -34.7761 -34.7761 -20.6123 -20.6123 -20.5459 -20.5459 -7.3525 -7.3525 -7.1643 -7.1643 -5.4647 -5.4647 -5.3240 -5.3240 -5.1681 -5.1681 -5.0612 -5.0612 -0.9475 -0.9475 0.0762 0.0762 4.7052 4.7052 6.0075 6.0075 6.1723 6.1723 6.9617 6.9617 7.0670 7.0670 7.3424 7.3424 7.4512 7.4512 8.7805 8.7805 8.9528 8.9528 9.0816 9.0816 9.4765 9.4765 k = 0.0729 0.0729-0.0000 ( 8791 PWs) bands (ev): -68.1312 -68.1312 -68.1300 -68.1300 -35.0741 -35.0741 -35.0680 -35.0680 -34.7869 -34.7869 -34.7861 -34.7861 -34.7840 -34.7840 -34.7760 -34.7760 -20.6132 -20.6132 -20.5457 -20.5457 -7.3525 -7.3525 -7.1610 -7.1610 -5.4657 -5.4657 -5.3176 -5.3176 -5.1693 -5.1693 -5.0557 -5.0557 -0.9675 -0.9675 0.0693 0.0693 4.6852 4.6852 6.0745 6.0745 6.2203 6.2203 7.0075 7.0075 7.1073 7.1073 7.3829 7.3829 7.4053 7.4053 8.7498 8.7498 8.8917 8.8917 8.9836 8.9836 9.5387 9.5387 k = 0.0625 0.0625-0.0000 ( 8795 PWs) bands (ev): -68.1312 -68.1312 -68.1300 -68.1300 -35.0742 -35.0742 -35.0679 -35.0679 -34.7870 -34.7870 -34.7861 -34.7861 -34.7839 -34.7839 -34.7759 -34.7759 -20.6139 -20.6139 -20.5455 -20.5455 -7.3525 -7.3525 -7.1582 -7.1582 -5.4666 -5.4666 -5.3117 -5.3117 -5.1709 -5.1709 -5.0507 -5.0507 -0.9851 -0.9851 0.0631 0.0631 4.6675 4.6675 6.1391 6.1391 6.2683 6.2683 6.9928 6.9928 7.2039 7.2039 7.3172 7.3172 7.4665 7.4665 8.7231 8.7231 8.8233 8.8233 8.8906 8.8906 9.5973 9.5973 k = 0.0521 0.0521-0.0000 ( 8789 PWs) bands (ev): -68.1312 -68.1312 -68.1300 -68.1300 -35.0742 -35.0742 -35.0679 -35.0679 -34.7870 -34.7870 -34.7862 -34.7862 -34.7839 -34.7839 -34.7758 -34.7758 -20.6145 -20.6145 -20.5453 -20.5453 -7.3525 -7.3525 -7.1557 -7.1557 -5.4674 -5.4674 -5.3064 -5.3064 -5.1726 -5.1726 -5.0463 -5.0463 -1.0002 -1.0002 0.0577 0.0577 4.6522 4.6522 6.2000 6.2000 6.3160 6.3160 6.9671 6.9671 7.2522 7.2522 7.3061 7.3061 7.5285 7.5285 8.6945 8.6945 8.7558 8.7558 8.8037 8.8037 9.6496 9.6496 k = 0.0417 0.0417-0.0000 ( 8793 PWs) bands (ev): -68.1312 -68.1312 -68.1300 -68.1300 -35.0743 -35.0743 -35.0678 -35.0678 -34.7871 -34.7871 -34.7862 -34.7862 -34.7839 -34.7839 -34.7758 -34.7758 -20.6151 -20.6151 -20.5452 -20.5452 -7.3525 -7.3525 -7.1537 -7.1537 -5.4680 -5.4680 -5.3018 -5.3018 -5.1743 -5.1743 -5.0425 -5.0425 -1.0128 -1.0128 0.0532 0.0532 4.6394 4.6394 6.2553 6.2553 6.3623 6.3623 6.9392 6.9392 7.1908 7.1908 7.4030 7.4030 7.5898 7.5898 8.6435 8.6435 8.7086 8.7086 8.7284 8.7284 9.6938 9.6938 k = 0.0312 0.0312-0.0000 ( 8799 PWs) bands (ev): -68.1312 -68.1312 -68.1300 -68.1300 -35.0743 -35.0743 -35.0678 -35.0678 -34.7871 -34.7871 -34.7862 -34.7862 -34.7839 -34.7839 -34.7757 -34.7757 -20.6155 -20.6155 -20.5450 -20.5450 -7.3525 -7.3525 -7.1521 -7.1521 -5.4685 -5.4685 -5.2980 -5.2980 -5.1758 -5.1758 -5.0395 -5.0395 -1.0226 -1.0226 0.0496 0.0496 4.6293 4.6293 6.3024 6.3024 6.4056 6.4056 6.9122 6.9122 7.1356 7.1356 7.4880 7.4880 7.6496 7.6496 8.5722 8.5722 8.6530 8.6530 8.6984 8.6984 9.7291 9.7291 k = 0.0208 0.0208-0.0000 ( 8807 PWs) bands (ev): -68.1312 -68.1312 -68.1300 -68.1300 -35.0743 -35.0743 -35.0678 -35.0678 -34.7871 -34.7871 -34.7862 -34.7862 -34.7839 -34.7839 -34.7757 -34.7757 -20.6158 -20.6158 -20.5450 -20.5450 -7.3525 -7.3525 -7.1509 -7.1509 -5.4689 -5.4689 -5.2952 -5.2952 -5.1770 -5.1770 -5.0373 -5.0373 -1.0297 -1.0297 0.0470 0.0470 4.6221 4.6221 6.3390 6.3390 6.4427 6.4427 6.8893 6.8893 7.0903 7.0903 7.5535 7.5535 7.7054 7.7054 8.5035 8.5035 8.6017 8.6017 8.6882 8.6882 9.7550 9.7550 k = 0.0104 0.0104-0.0000 ( 8823 PWs) bands (ev): -68.1312 -68.1312 -68.1300 -68.1300 -35.0744 -35.0744 -35.0678 -35.0678 -34.7872 -34.7872 -34.7863 -34.7863 -34.7839 -34.7839 -34.7757 -34.7757 -20.6160 -20.6160 -20.5449 -20.5449 -7.3525 -7.3525 -7.1502 -7.1502 -5.4691 -5.4691 -5.2934 -5.2934 -5.1778 -5.1778 -5.0360 -5.0360 -1.0340 -1.0340 0.0454 0.0454 4.6177 4.6177 6.3623 6.3623 6.4685 6.4685 6.8736 6.8736 7.0599 7.0599 7.5941 7.5941 7.7486 7.7486 8.4524 8.4524 8.5688 8.5688 8.6830 8.6830 9.7710 9.7710 k = 0.0000 0.0000 0.0000 ( 8825 PWs) bands (ev): -68.1312 -68.1312 -68.1300 -68.1300 -35.0744 -35.0744 -35.0678 -35.0678 -34.7872 -34.7872 -34.7863 -34.7863 -34.7839 -34.7839 -34.7757 -34.7757 -20.6160 -20.6160 -20.5449 -20.5449 -7.3525 -7.3525 -7.1500 -7.1500 -5.4692 -5.4692 -5.2928 -5.2928 -5.1780 -5.1780 -5.0356 -5.0356 -1.0354 -1.0354 0.0449 0.0449 4.6163 4.6163 6.3703 6.3703 6.4780 6.4780 6.8679 6.8679 7.0491 7.0491 7.6077 7.6077 7.7654 7.7654 8.4331 8.4331 8.5574 8.5574 8.6814 8.6814 9.7765 9.7765 k = 0.0000 0.0000 0.0000 ( 8825 PWs) bands (ev): -68.1312 -68.1312 -68.1300 -68.1300 -35.0744 -35.0744 -35.0678 -35.0678 -34.7872 -34.7872 -34.7863 -34.7863 -34.7839 -34.7839 -34.7757 -34.7757 -20.6160 -20.6160 -20.5449 -20.5449 -7.3525 -7.3525 -7.1500 -7.1500 -5.4692 -5.4692 -5.2928 -5.2928 -5.1780 -5.1780 -5.0356 -5.0356 -1.0354 -1.0354 0.0449 0.0449 4.6163 4.6163 6.3703 6.3703 6.4780 6.4780 6.8679 6.8679 7.0491 7.0491 7.6077 7.6077 7.7654 7.7654 8.4331 8.4331 8.5574 8.5574 8.6814 8.6814 9.7765 9.7765 k = 0.0000 0.0000 0.0146 ( 8825 PWs) bands (ev): -68.1312 -68.1312 -68.1300 -68.1300 -35.0744 -35.0744 -35.0678 -35.0678 -34.7872 -34.7872 -34.7863 -34.7863 -34.7839 -34.7839 -34.7757 -34.7757 -20.6160 -20.6160 -20.5449 -20.5449 -7.3525 -7.3525 -7.1501 -7.1501 -5.4690 -5.4690 -5.2928 -5.2928 -5.1783 -5.1783 -5.0356 -5.0356 -1.0341 -1.0341 0.0441 0.0441 4.6137 4.6137 6.3695 6.3695 6.4772 6.4772 6.8617 6.8617 7.0502 7.0502 7.6092 7.6092 7.7671 7.7671 8.4362 8.4362 8.5528 8.5528 8.6945 8.6945 9.7761 9.7761 k = 0.0000 0.0000 0.0293 ( 8821 PWs) bands (ev): -68.1312 -68.1312 -68.1300 -68.1300 -35.0744 -35.0744 -35.0678 -35.0678 -34.7872 -34.7872 -34.7862 -34.7862 -34.7839 -34.7839 -34.7757 -34.7757 -20.6160 -20.6160 -20.5449 -20.5449 -7.3523 -7.3523 -7.1503 -7.1503 -5.4686 -5.4686 -5.2927 -5.2927 -5.1790 -5.1790 -5.0356 -5.0356 -1.0303 -1.0303 0.0416 0.0416 4.6060 4.6060 6.3671 6.3671 6.4750 6.4750 6.8434 6.8434 7.0538 7.0538 7.6135 7.6135 7.7721 7.7721 8.4469 8.4469 8.5393 8.5393 8.7320 8.7320 9.7750 9.7750 k = 0.0000 0.0000 0.0439 ( 8801 PWs) bands (ev): -68.1312 -68.1312 -68.1299 -68.1299 -35.0743 -35.0743 -35.0678 -35.0678 -34.7872 -34.7872 -34.7862 -34.7862 -34.7839 -34.7839 -34.7757 -34.7757 -20.6160 -20.6160 -20.5449 -20.5449 -7.3521 -7.3521 -7.1506 -7.1506 -5.4678 -5.4678 -5.2927 -5.2927 -5.1803 -5.1803 -5.0357 -5.0357 -1.0239 -1.0239 0.0376 0.0376 4.5936 4.5936 6.3631 6.3631 6.4714 6.4714 6.8141 6.8141 7.0596 7.0596 7.6206 7.6206 7.7804 7.7804 8.4678 8.4678 8.5173 8.5173 8.7897 8.7897 9.7733 9.7733 k = 0.0000 0.0000 0.0586 ( 8785 PWs) bands (ev): -68.1312 -68.1312 -68.1299 -68.1299 -35.0743 -35.0743 -35.0678 -35.0678 -34.7872 -34.7872 -34.7862 -34.7862 -34.7839 -34.7839 -34.7757 -34.7757 -20.6160 -20.6160 -20.5449 -20.5449 -7.3517 -7.3517 -7.1511 -7.1511 -5.4668 -5.4668 -5.2925 -5.2925 -5.1820 -5.1820 -5.0359 -5.0359 -1.0151 -1.0151 0.0320 0.0320 4.5770 4.5770 6.3578 6.3578 6.4665 6.4665 6.7754 6.7754 7.0677 7.0677 7.6304 7.6304 7.7916 7.7916 8.4879 8.4879 8.5006 8.5006 8.8632 8.8632 9.7710 9.7710 k = 0.0000 0.0000 0.0732 ( 8809 PWs) bands (ev): -68.1312 -68.1312 -68.1300 -68.1300 -35.0743 -35.0743 -35.0678 -35.0678 -34.7872 -34.7872 -34.7862 -34.7862 -34.7839 -34.7839 -34.7757 -34.7757 -20.6159 -20.6159 -20.5450 -20.5450 -7.3513 -7.3513 -7.1517 -7.1517 -5.4655 -5.4655 -5.2924 -5.2924 -5.1842 -5.1842 -5.0360 -5.0360 -1.0039 -1.0039 0.0248 0.0248 4.5567 4.5567 6.3512 6.3512 6.4606 6.4606 6.7292 6.7292 7.0781 7.0781 7.6427 7.6427 7.8055 7.8055 8.4521 8.4521 8.5460 8.5460 8.9489 8.9489 9.7682 9.7682 k = 0.0000 0.0000 0.0879 ( 8801 PWs) bands (ev): -68.1312 -68.1312 -68.1300 -68.1300 -35.0743 -35.0743 -35.0678 -35.0678 -34.7872 -34.7872 -34.7863 -34.7863 -34.7839 -34.7839 -34.7757 -34.7757 -20.6159 -20.6159 -20.5450 -20.5450 -7.3508 -7.3508 -7.1523 -7.1523 -5.4640 -5.4640 -5.2922 -5.2922 -5.1867 -5.1867 -5.0362 -5.0362 -0.9906 -0.9906 0.0161 0.0161 4.5337 4.5337 6.3437 6.3437 6.4537 6.4537 6.6774 6.6774 7.0906 7.0906 7.6573 7.6573 7.8217 7.8217 8.4110 8.4110 8.6034 8.6034 9.0441 9.0441 9.7652 9.7652 k = 0.0000 0.0000 0.1025 ( 8797 PWs) bands (ev): -68.1312 -68.1312 -68.1300 -68.1300 -35.0743 -35.0743 -35.0678 -35.0678 -34.7872 -34.7872 -34.7862 -34.7862 -34.7838 -34.7838 -34.7757 -34.7757 -20.6159 -20.6159 -20.5450 -20.5450 -7.3502 -7.3502 -7.1531 -7.1531 -5.4622 -5.4622 -5.2920 -5.2920 -5.1896 -5.1896 -5.0364 -5.0364 -0.9753 -0.9753 0.0059 0.0059 4.5085 4.5085 6.3354 6.3354 6.4462 6.4462 6.6221 6.6221 7.1053 7.1053 7.6738 7.6738 7.8398 7.8398 8.3658 8.3658 8.6714 8.6714 9.1467 9.1467 9.7620 9.7620 k = 0.0000 0.0000 0.1172 ( 8789 PWs) bands (ev): -68.1312 -68.1312 -68.1299 -68.1299 -35.0743 -35.0743 -35.0678 -35.0678 -34.7872 -34.7872 -34.7862 -34.7862 -34.7838 -34.7838 -34.7757 -34.7757 -20.6158 -20.6158 -20.5450 -20.5450 -7.3496 -7.3496 -7.1539 -7.1539 -5.4603 -5.4603 -5.2918 -5.2918 -5.1928 -5.1928 -5.0367 -5.0367 -0.9583 -0.9583 -0.0056 -0.0056 4.4822 4.4822 6.3266 6.3266 6.4382 6.4382 6.5651 6.5651 7.1221 7.1221 7.6917 7.6917 7.8594 7.8594 8.3177 8.3177 8.7485 8.7485 9.2547 9.2547 9.7589 9.7589 k = 0.0000 0.0000 0.1318 ( 8785 PWs) bands (ev): -68.1312 -68.1312 -68.1299 -68.1299 -35.0743 -35.0743 -35.0678 -35.0678 -34.7871 -34.7871 -34.7862 -34.7862 -34.7839 -34.7839 -34.7757 -34.7757 -20.6158 -20.6158 -20.5451 -20.5451 -7.3489 -7.3489 -7.1548 -7.1548 -5.4582 -5.4582 -5.2916 -5.2916 -5.1962 -5.1962 -5.0369 -5.0369 -0.9398 -0.9398 -0.0183 -0.0183 4.4553 4.4553 6.3174 6.3174 6.4299 6.4299 6.5079 6.5079 7.1407 7.1407 7.7105 7.7105 7.8799 7.8799 8.2675 8.2675 8.8325 8.8325 9.3670 9.3670 9.7561 9.7561 k = 0.0000 0.0000 0.1465 ( 8797 PWs) bands (ev): -68.1312 -68.1312 -68.1299 -68.1299 -35.0743 -35.0743 -35.0678 -35.0678 -34.7871 -34.7871 -34.7862 -34.7862 -34.7839 -34.7839 -34.7757 -34.7757 -20.6158 -20.6158 -20.5451 -20.5451 -7.3482 -7.3482 -7.1557 -7.1557 -5.4560 -5.4560 -5.2913 -5.2913 -5.1997 -5.1997 -5.0372 -5.0372 -0.9202 -0.9202 -0.0320 -0.0320 4.4287 4.4287 6.3080 6.3080 6.4217 6.4217 6.4521 6.4521 7.1612 7.1612 7.7298 7.7298 7.9009 7.9009 8.2163 8.2163 8.9215 8.9215 9.4822 9.4822 9.7538 9.7538 k = 0.0000 0.0000 0.1611 ( 8789 PWs) bands (ev): -68.1312 -68.1312 -68.1299 -68.1299 -35.0743 -35.0743 -35.0678 -35.0678 -34.7871 -34.7871 -34.7862 -34.7862 -34.7839 -34.7839 -34.7757 -34.7757 -20.6157 -20.6157 -20.5452 -20.5452 -7.3475 -7.3475 -7.1566 -7.1566 -5.4538 -5.4538 -5.2911 -5.2911 -5.2033 -5.2033 -5.0374 -5.0374 -0.8998 -0.8998 -0.0465 -0.0465 4.4030 4.4030 6.2982 6.2982 6.3992 6.3992 6.4136 6.4136 7.1831 7.1831 7.7491 7.7491 7.9219 7.9219 8.1649 8.1649 9.0130 9.0130 9.5986 9.5986 9.7530 9.7530 k = 0.0000 0.0000 0.1758 ( 8788 PWs) bands (ev): -68.1312 -68.1312 -68.1299 -68.1299 -35.0743 -35.0743 -35.0678 -35.0678 -34.7871 -34.7871 -34.7862 -34.7862 -34.7839 -34.7839 -34.7757 -34.7757 -20.6157 -20.6157 -20.5452 -20.5452 -7.3469 -7.3469 -7.1575 -7.1575 -5.4515 -5.4515 -5.2909 -5.2909 -5.2068 -5.2068 -5.0377 -5.0377 -0.8792 -0.8792 -0.0615 -0.0615 4.3787 4.3787 6.2873 6.2873 6.3510 6.3510 6.4059 6.4059 7.2064 7.2064 7.7679 7.7679 7.9422 7.9422 8.1142 8.1142 9.1047 9.1047 9.7073 9.7073 9.7620 9.7620 k = 0.0000 0.0000 0.1904 ( 8804 PWs) bands (ev): -68.1312 -68.1312 -68.1299 -68.1299 -35.0743 -35.0743 -35.0678 -35.0678 -34.7871 -34.7871 -34.7862 -34.7862 -34.7839 -34.7839 -34.7757 -34.7757 -20.6157 -20.6157 -20.5452 -20.5452 -7.3462 -7.3462 -7.1584 -7.1584 -5.4494 -5.4494 -5.2907 -5.2907 -5.2102 -5.2102 -5.0379 -5.0379 -0.8586 -0.8586 -0.0767 -0.0767 4.3563 4.3563 6.2719 6.2719 6.3121 6.3121 6.3987 6.3987 7.2305 7.2305 7.7857 7.7857 7.9615 7.9615 8.0649 8.0649 9.1939 9.1939 9.7396 9.7396 9.8486 9.8486 k = 0.0000 0.0000 0.2051 ( 8796 PWs) bands (ev): -68.1312 -68.1312 -68.1299 -68.1299 -35.0743 -35.0743 -35.0678 -35.0678 -34.7871 -34.7871 -34.7862 -34.7862 -34.7839 -34.7839 -34.7757 -34.7757 -20.6156 -20.6156 -20.5453 -20.5453 -7.3456 -7.3456 -7.1592 -7.1592 -5.4473 -5.4473 -5.2905 -5.2905 -5.2134 -5.2134 -5.0381 -5.0381 -0.8388 -0.8388 -0.0916 -0.0916 4.3363 4.3363 6.2451 6.2451 6.2901 6.2901 6.3921 6.3921 7.2550 7.2550 7.8021 7.8021 7.9790 7.9790 8.0183 8.0183 9.2782 9.2782 9.7416 9.7416 9.8551 9.8551 k = 0.0000 0.0000 0.2197 ( 8792 PWs) bands (ev): -68.1312 -68.1312 -68.1299 -68.1299 -35.0743 -35.0743 -35.0678 -35.0678 -34.7871 -34.7871 -34.7862 -34.7862 -34.7839 -34.7839 -34.7757 -34.7757 -20.6156 -20.6156 -20.5453 -20.5453 -7.3450 -7.3450 -7.1599 -7.1599 -5.4454 -5.4454 -5.2903 -5.2903 -5.2163 -5.2163 -5.0383 -5.0383 -0.8204 -0.8204 -0.1057 -0.1057 4.3188 4.3188 6.2134 6.2134 6.2794 6.2794 6.3864 6.3864 7.2792 7.2792 7.8167 7.8167 7.9728 7.9728 7.9968 7.9968 9.3548 9.3548 9.7420 9.7420 9.8517 9.8517 k = 0.0000 0.0000 0.2343 ( 8792 PWs) bands (ev): -68.1312 -68.1312 -68.1299 -68.1299 -35.0743 -35.0743 -35.0678 -35.0678 -34.7871 -34.7871 -34.7862 -34.7862 -34.7839 -34.7839 -34.7757 -34.7757 -20.6156 -20.6156 -20.5453 -20.5453 -7.3446 -7.3446 -7.1605 -7.1605 -5.4437 -5.4437 -5.2901 -5.2901 -5.2188 -5.2188 -5.0385 -5.0385 -0.8040 -0.8040 -0.1185 -0.1185 4.3043 4.3043 6.1847 6.1847 6.2726 6.2726 6.3816 6.3816 7.3021 7.3021 7.8291 7.8291 7.9344 7.9344 8.0096 8.0096 9.4214 9.4214 9.7423 9.7423 9.8490 9.8490 k = 0.0000 0.0000 0.2490 ( 8804 PWs) bands (ev): -68.1312 -68.1312 -68.1299 -68.1299 -35.0743 -35.0743 -35.0679 -35.0679 -34.7871 -34.7871 -34.7862 -34.7862 -34.7839 -34.7839 -34.7757 -34.7757 -20.6156 -20.6156 -20.5453 -20.5453 -7.3442 -7.3442 -7.1610 -7.1610 -5.4424 -5.4424 -5.2900 -5.2900 -5.2209 -5.2209 -5.0386 -5.0386 -0.7902 -0.7902 -0.1292 -0.1292 4.2927 4.2927 6.1614 6.1614 6.2677 6.2677 6.3777 6.3777 7.3226 7.3226 7.8391 7.8391 7.9013 7.9013 8.0204 8.0204 9.4757 9.4757 9.7429 9.7429 9.8469 9.8469 k = 0.0000 0.0000 0.2636 ( 8800 PWs) bands (ev): -68.1312 -68.1312 -68.1299 -68.1299 -35.0742 -35.0742 -35.0679 -35.0679 -34.7871 -34.7871 -34.7861 -34.7861 -34.7839 -34.7839 -34.7757 -34.7757 -20.6155 -20.6155 -20.5454 -20.5454 -7.3439 -7.3439 -7.1614 -7.1614 -5.4414 -5.4414 -5.2899 -5.2899 -5.2224 -5.2224 -5.0387 -5.0387 -0.7798 -0.7798 -0.1375 -0.1375 4.2844 4.2844 6.1444 6.1444 6.2643 6.2643 6.3750 6.3750 7.3390 7.3390 7.8464 7.8464 7.8757 7.8757 8.0284 8.0284 9.5158 9.5158 9.7435 9.7435 9.8454 9.8454 k = 0.0000 0.0000 0.2783 ( 8820 PWs) bands (ev): -68.1313 -68.1313 -68.1299 -68.1299 -35.0743 -35.0743 -35.0679 -35.0679 -34.7871 -34.7871 -34.7862 -34.7862 -34.7840 -34.7840 -34.7758 -34.7758 -20.6155 -20.6155 -20.5454 -20.5454 -7.3437 -7.3437 -7.1616 -7.1616 -5.4407 -5.4407 -5.2899 -5.2899 -5.2233 -5.2233 -5.0388 -5.0388 -0.7734 -0.7734 -0.1426 -0.1426 4.2794 4.2794 6.1341 6.1341 6.2623 6.2623 6.3733 6.3733 7.3497 7.3497 7.8509 7.8509 7.8594 7.8594 8.0333 8.0333 9.5403 9.5403 9.7441 9.7441 9.8445 9.8445 k = 0.0000 0.0000 0.2929 ( 8820 PWs) bands (ev): -68.1313 -68.1313 -68.1299 -68.1299 -35.0743 -35.0743 -35.0679 -35.0679 -34.7871 -34.7871 -34.7862 -34.7862 -34.7840 -34.7840 -34.7758 -34.7758 -20.6155 -20.6155 -20.5454 -20.5454 -7.3437 -7.3437 -7.1617 -7.1617 -5.4405 -5.4405 -5.2899 -5.2899 -5.2236 -5.2236 -5.0388 -5.0388 -0.7712 -0.7712 -0.1444 -0.1444 4.2777 4.2777 6.1306 6.1306 6.2616 6.2616 6.3727 6.3727 7.3535 7.3535 7.8524 7.8524 7.8538 7.8538 8.0349 8.0349 9.5485 9.5485 9.7444 9.7444 9.8442 9.8442 k = 0.0000 0.0000 0.2929 ( 8820 PWs) bands (ev): -68.1313 -68.1313 -68.1299 -68.1299 -35.0743 -35.0743 -35.0679 -35.0679 -34.7871 -34.7871 -34.7862 -34.7862 -34.7840 -34.7840 -34.7758 -34.7758 -20.6155 -20.6155 -20.5454 -20.5454 -7.3437 -7.3437 -7.1617 -7.1617 -5.4405 -5.4405 -5.2899 -5.2899 -5.2236 -5.2236 -5.0388 -5.0388 -0.7712 -0.7712 -0.1444 -0.1444 4.2777 4.2777 6.1306 6.1306 6.2616 6.2616 6.3727 6.3727 7.3535 7.3535 7.8524 7.8524 7.8538 7.8538 8.0349 8.0349 9.5485 9.5485 9.7444 9.7444 9.8442 9.8442 k = 0.0000 0.0147 0.2929 ( 8816 PWs) bands (ev): -68.1312 -68.1312 -68.1299 -68.1299 -35.0743 -35.0743 -35.0679 -35.0679 -34.7871 -34.7871 -34.7862 -34.7862 -34.7840 -34.7840 -34.7758 -34.7758 -20.6155 -20.6155 -20.5454 -20.5454 -7.3437 -7.3437 -7.1619 -7.1619 -5.4405 -5.4405 -5.2909 -5.2909 -5.2228 -5.2228 -5.0392 -5.0392 -0.7702 -0.7702 -0.1433 -0.1433 4.2788 4.2788 6.0924 6.0924 6.2797 6.2797 6.3863 6.3863 7.3488 7.3488 7.8523 7.8523 7.8634 7.8634 8.0333 8.0333 9.5482 9.5482 9.7385 9.7385 9.8367 9.8367 k = 0.0000 0.0294 0.2929 ( 8798 PWs) bands (ev): -68.1312 -68.1312 -68.1299 -68.1299 -35.0742 -35.0742 -35.0679 -35.0679 -34.7871 -34.7871 -34.7861 -34.7861 -34.7839 -34.7839 -34.7758 -34.7758 -20.6153 -20.6153 -20.5454 -20.5454 -7.3438 -7.3438 -7.1625 -7.1625 -5.4405 -5.4405 -5.2940 -5.2940 -5.2204 -5.2204 -5.0404 -5.0404 -0.7672 -0.7672 -0.1401 -0.1401 4.2819 4.2819 6.0147 6.0147 6.2987 6.2987 6.4258 6.4258 7.3347 7.3347 7.8521 7.8521 7.8917 7.8917 8.0286 8.0286 9.5473 9.5473 9.7215 9.7215 9.8157 9.8157 k = 0.0000 0.0441 0.2929 ( 8798 PWs) bands (ev): -68.1312 -68.1312 -68.1299 -68.1299 -35.0742 -35.0742 -35.0679 -35.0679 -34.7871 -34.7871 -34.7861 -34.7861 -34.7839 -34.7839 -34.7758 -34.7758 -20.6150 -20.6150 -20.5455 -20.5455 -7.3438 -7.3438 -7.1636 -7.1636 -5.4404 -5.4404 -5.2987 -5.2987 -5.2170 -5.2170 -5.0423 -5.0423 -0.7623 -0.7623 -0.1349 -0.1349 4.2871 4.2871 5.9231 5.9231 6.3069 6.3069 6.4784 6.4784 7.3106 7.3106 7.8521 7.8521 7.9375 7.9375 8.0219 8.0219 9.5456 9.5456 9.6953 9.6953 9.7843 9.7843 k = 0.0000 0.0588 0.2929 ( 8802 PWs) bands (ev): -68.1312 -68.1312 -68.1300 -68.1300 -35.0742 -35.0742 -35.0679 -35.0679 -34.7870 -34.7870 -34.7862 -34.7862 -34.7839 -34.7839 -34.7758 -34.7758 -20.6146 -20.6146 -20.5456 -20.5456 -7.3440 -7.3440 -7.1651 -7.1651 -5.4404 -5.4404 -5.3045 -5.3045 -5.2129 -5.2129 -5.0449 -5.0449 -0.7555 -0.7555 -0.1276 -0.1276 4.2944 4.2944 5.8246 5.8246 6.3104 6.3104 6.5326 6.5326 7.2761 7.2761 7.8519 7.8519 7.9977 7.9977 8.0161 8.0161 9.5430 9.5430 9.6620 9.6620 9.7463 9.7463 k = 0.0000 0.0735 0.2929 ( 8802 PWs) bands (ev): -68.1312 -68.1312 -68.1300 -68.1300 -35.0742 -35.0742 -35.0679 -35.0679 -34.7870 -34.7870 -34.7861 -34.7861 -34.7840 -34.7840 -34.7759 -34.7759 -20.6141 -20.6141 -20.5458 -20.5458 -7.3441 -7.3441 -7.1670 -7.1670 -5.4404 -5.4404 -5.3111 -5.3111 -5.2086 -5.2086 -5.0482 -5.0482 -0.7467 -0.7467 -0.1184 -0.1184 4.3035 4.3035 5.7220 5.7220 6.3121 6.3121 6.5848 6.5848 7.2313 7.2313 7.8503 7.8503 8.0088 8.0088 8.0750 8.0750 9.5390 9.5390 9.6241 9.6241 9.7049 9.7049 k = 0.0000 0.0882 0.2929 ( 8806 PWs) bands (ev): -68.1312 -68.1312 -68.1300 -68.1300 -35.0742 -35.0742 -35.0680 -35.0680 -34.7869 -34.7869 -34.7861 -34.7861 -34.7840 -34.7840 -34.7760 -34.7760 -20.6135 -20.6135 -20.5460 -20.5460 -7.3443 -7.3443 -7.1694 -7.1694 -5.4404 -5.4404 -5.3181 -5.3181 -5.2042 -5.2042 -5.0520 -5.0520 -0.7360 -0.7360 -0.1073 -0.1073 4.3145 4.3145 5.6168 5.6168 6.3130 6.3130 6.6341 6.6341 7.1767 7.1767 7.8445 7.8445 8.0099 8.0099 8.1607 8.1607 9.5327 9.5327 9.5837 9.5837 9.6628 9.6628 k = 0.0000 0.1029 0.2929 ( 8810 PWs) bands (ev): -68.1312 -68.1312 -68.1300 -68.1300 -35.0741 -35.0741 -35.0680 -35.0680 -34.7868 -34.7868 -34.7861 -34.7861 -34.7840 -34.7840 -34.7760 -34.7760 -20.6127 -20.6127 -20.5462 -20.5462 -7.3445 -7.3445 -7.1721 -7.1721 -5.4407 -5.4407 -5.3253 -5.3253 -5.2000 -5.2000 -5.0562 -5.0562 -0.7234 -0.7234 -0.0946 -0.0946 4.3271 4.3271 5.5105 5.5105 6.3136 6.3136 6.6809 6.6809 7.1132 7.1132 7.8319 7.8319 8.0198 8.0198 8.2547 8.2547 9.5201 9.5201 9.5455 9.5455 9.6222 9.6222 k = 0.0000 0.1176 0.2929 ( 8798 PWs) bands (ev): -68.1312 -68.1312 -68.1300 -68.1300 -35.0740 -35.0740 -35.0681 -35.0681 -34.7867 -34.7867 -34.7861 -34.7861 -34.7840 -34.7840 -34.7761 -34.7761 -20.6119 -20.6119 -20.5464 -20.5464 -7.3447 -7.3447 -7.1752 -7.1752 -5.4411 -5.4411 -5.3325 -5.3325 -5.1961 -5.1961 -5.0609 -5.0609 -0.7090 -0.7090 -0.0804 -0.0804 4.3413 4.3413 5.4040 5.4040 6.3141 6.3141 6.7255 6.7255 7.0424 7.0424 7.8111 7.8111 8.0398 8.0398 8.3544 8.3544 9.4877 9.4877 9.5229 9.5229 9.5850 9.5850 k = 0.0000 0.1324 0.2929 ( 8792 PWs) bands (ev): -68.1312 -68.1312 -68.1300 -68.1300 -35.0740 -35.0740 -35.0681 -35.0681 -34.7866 -34.7866 -34.7861 -34.7861 -34.7840 -34.7840 -34.7762 -34.7762 -20.6110 -20.6110 -20.5467 -20.5467 -7.3449 -7.3449 -7.1787 -7.1787 -5.4418 -5.4418 -5.3397 -5.3397 -5.1927 -5.1927 -5.0657 -5.0657 -0.6928 -0.6928 -0.0649 -0.0649 4.3567 4.3567 5.2982 5.2982 6.3145 6.3145 6.7685 6.7685 6.9659 6.9659 7.7829 7.7829 8.0689 8.0689 8.4568 8.4568 9.4449 9.4449 9.5062 9.5062 9.5524 9.5524 k = 0.0000 0.1471 0.2929 ( 8796 PWs) bands (ev): -68.1312 -68.1312 -68.1300 -68.1300 -35.0739 -35.0739 -35.0682 -35.0682 -34.7865 -34.7865 -34.7861 -34.7861 -34.7841 -34.7841 -34.7763 -34.7763 -20.6099 -20.6099 -20.5471 -20.5471 -7.3452 -7.3452 -7.1825 -7.1825 -5.4428 -5.4428 -5.3465 -5.3465 -5.1898 -5.1898 -5.0707 -5.0707 -0.6748 -0.6748 -0.0482 -0.0482 4.3732 4.3732 5.1938 5.1938 6.3150 6.3150 6.8099 6.8099 6.8856 6.8856 7.7484 7.7484 8.1056 8.1056 8.5589 8.5589 9.4009 9.4009 9.4850 9.4850 9.5255 9.5255 k = 0.0000 0.1618 0.2929 ( 8810 PWs) bands (ev): -68.1312 -68.1312 -68.1300 -68.1300 -35.0739 -35.0739 -35.0683 -35.0683 -34.7864 -34.7864 -34.7860 -34.7860 -34.7841 -34.7841 -34.7765 -34.7765 -20.6088 -20.6088 -20.5474 -20.5474 -7.3454 -7.3454 -7.1867 -7.1867 -5.4442 -5.4442 -5.3531 -5.3531 -5.1874 -5.1874 -5.0756 -5.0756 -0.6551 -0.6551 -0.0307 -0.0307 4.3904 4.3904 5.0914 5.0914 6.3156 6.3156 6.8004 6.8004 6.8525 6.8525 7.7088 7.7088 8.1483 8.1483 8.6574 8.6574 9.3579 9.3579 9.4561 9.4561 9.5051 9.5051 k = 0.0000 0.1765 0.2929 ( 8812 PWs) bands (ev): -68.1311 -68.1311 -68.1300 -68.1300 -35.0738 -35.0738 -35.0684 -35.0684 -34.7863 -34.7863 -34.7860 -34.7860 -34.7841 -34.7841 -34.7766 -34.7766 -20.6076 -20.6076 -20.5479 -20.5479 -7.3455 -7.3455 -7.1911 -7.1911 -5.4461 -5.4461 -5.3593 -5.3593 -5.1856 -5.1856 -5.0803 -5.0803 -0.6338 -0.6338 -0.0125 -0.0125 4.4080 4.4080 4.9916 4.9916 6.3165 6.3165 6.7167 6.7167 6.8913 6.8913 7.6649 7.6649 8.1955 8.1955 8.7477 8.7477 9.3170 9.3170 9.4190 9.4190 9.4915 9.4915 k = 0.0000 0.1912 0.2929 ( 8820 PWs) bands (ev): -68.1311 -68.1311 -68.1301 -68.1301 -35.0737 -35.0737 -35.0684 -35.0684 -34.7861 -34.7861 -34.7860 -34.7860 -34.7842 -34.7842 -34.7768 -34.7768 -20.6063 -20.6063 -20.5483 -20.5483 -7.3457 -7.3457 -7.1959 -7.1959 -5.4484 -5.4484 -5.3651 -5.3651 -5.1844 -5.1844 -5.0848 -5.0848 -0.6109 -0.6109 0.0061 0.0061 4.4255 4.4255 4.8949 4.8949 6.3176 6.3176 6.6328 6.6328 6.9294 6.9294 7.6174 7.6174 8.2459 8.2459 8.8240 8.8240 9.2792 9.2792 9.3771 9.3771 9.4844 9.4844 k = 0.0000 0.2059 0.2929 ( 8816 PWs) bands (ev): -68.1311 -68.1311 -68.1301 -68.1301 -35.0736 -35.0736 -35.0685 -35.0685 -34.7860 -34.7860 -34.7860 -34.7860 -34.7842 -34.7842 -34.7769 -34.7769 -20.6049 -20.6049 -20.5488 -20.5488 -7.3458 -7.3458 -7.2010 -7.2010 -5.4511 -5.4511 -5.3705 -5.3705 -5.1838 -5.1838 -5.0889 -5.0889 -0.5864 -0.5864 0.0249 0.0249 4.4425 4.4425 4.8018 4.8018 6.3190 6.3190 6.5505 6.5505 6.9657 6.9657 7.5669 7.5669 8.2980 8.2980 8.8783 8.8783 9.2456 9.2456 9.3381 9.3381 9.4833 9.4833 k = 0.0000 0.2206 0.2929 ( 8812 PWs) bands (ev): -68.1311 -68.1311 -68.1301 -68.1301 -35.0735 -35.0735 -35.0686 -35.0686 -34.7859 -34.7859 -34.7858 -34.7858 -34.7842 -34.7842 -34.7771 -34.7771 -20.6035 -20.6035 -20.5494 -20.5494 -7.3458 -7.3458 -7.2062 -7.2062 -5.4542 -5.4542 -5.3756 -5.3756 -5.1836 -5.1836 -5.0927 -5.0927 -0.5605 -0.5605 0.0435 0.0435 4.4584 4.4584 4.7127 4.7127 6.3207 6.3207 6.4714 6.4714 6.9997 6.9997 7.5142 7.5142 8.3499 8.3499 8.9015 8.9015 9.2184 9.2184 9.3114 9.3114 9.4883 9.4883 k = 0.0000 0.2353 0.2929 ( 8808 PWs) bands (ev): -68.1311 -68.1311 -68.1301 -68.1301 -35.0734 -35.0734 -35.0687 -35.0687 -34.7859 -34.7859 -34.7857 -34.7857 -34.7842 -34.7842 -34.7773 -34.7773 -20.6020 -20.6020 -20.5500 -20.5500 -7.3457 -7.3457 -7.2117 -7.2117 -5.4576 -5.4576 -5.3805 -5.3805 -5.1837 -5.1837 -5.0961 -5.0961 -0.5333 -0.5333 0.0616 0.0616 4.4724 4.4724 4.6281 4.6281 6.3219 6.3219 6.3975 6.3975 7.0306 7.0306 7.4598 7.4598 8.3996 8.3996 8.8896 8.8896 9.2001 9.2001 9.3023 9.3023 9.4989 9.4989 k = 0.0000 0.2500 0.2929 ( 8816 PWs) bands (ev): -68.1310 -68.1310 -68.1301 -68.1301 -35.0734 -35.0734 -35.0688 -35.0688 -34.7859 -34.7859 -34.7855 -34.7855 -34.7843 -34.7843 -34.7774 -34.7774 -20.6004 -20.6004 -20.5507 -20.5507 -7.3456 -7.3456 -7.2174 -7.2174 -5.4612 -5.4612 -5.3852 -5.3852 -5.1841 -5.1841 -5.0991 -5.0991 -0.5048 -0.5048 0.0790 0.0790 4.4836 4.4836 4.5486 4.5486 6.3114 6.3114 6.3413 6.3413 7.0573 7.0573 7.4043 7.4043 8.4448 8.4448 8.8504 8.8504 9.1927 9.1927 9.3069 9.3069 9.5150 9.5150 k = 0.0000 0.2647 0.2929 ( 8808 PWs) bands (ev): -68.1310 -68.1310 -68.1302 -68.1302 -35.0732 -35.0732 -35.0689 -35.0689 -34.7858 -34.7858 -34.7853 -34.7853 -34.7843 -34.7843 -34.7776 -34.7776 -20.5988 -20.5988 -20.5514 -20.5514 -7.3453 -7.3453 -7.2232 -7.2232 -5.4649 -5.4649 -5.3899 -5.3899 -5.1845 -5.1845 -5.1018 -5.1018 -0.4751 -0.4751 0.0953 0.0953 4.4698 4.4698 4.4961 4.4961 6.2580 6.2580 6.3354 6.3354 7.0787 7.0787 7.3482 7.3482 8.4830 8.4830 8.7964 8.7964 9.1972 9.1972 9.3177 9.3177 9.5361 9.5361 k = 0.0000 0.2794 0.2929 ( 8812 PWs) bands (ev): -68.1310 -68.1310 -68.1302 -68.1302 -35.0731 -35.0731 -35.0690 -35.0690 -34.7858 -34.7858 -34.7851 -34.7851 -34.7844 -34.7844 -34.7778 -34.7778 -20.5971 -20.5971 -20.5522 -20.5522 -7.3449 -7.3449 -7.2292 -7.2292 -5.4686 -5.4686 -5.3947 -5.3947 -5.1849 -5.1849 -5.1043 -5.1043 -0.4444 -0.4444 0.1103 0.1103 4.4024 4.4024 4.4986 4.4986 6.2037 6.2037 6.3392 6.3392 7.0935 7.0935 7.2921 7.2921 8.5124 8.5124 8.7374 8.7374 9.2145 9.2145 9.3298 9.3298 9.5621 9.5621 k = 0.0000 0.2941 0.2929 ( 8818 PWs) bands (ev): -68.1310 -68.1310 -68.1302 -68.1302 -35.0730 -35.0730 -35.0691 -35.0691 -34.7858 -34.7858 -34.7849 -34.7849 -34.7844 -34.7844 -34.7781 -34.7781 -20.5954 -20.5954 -20.5530 -20.5530 -7.3444 -7.3444 -7.2352 -7.2352 -5.4721 -5.4721 -5.3997 -5.3997 -5.1850 -5.1850 -5.1067 -5.1067 -0.4127 -0.4127 0.1236 0.1236 4.3389 4.3389 4.4983 4.4983 6.1573 6.1573 6.3448 6.3448 7.1002 7.1002 7.2369 7.2369 8.5323 8.5323 8.6796 8.6796 9.2446 9.2446 9.3414 9.3414 9.5926 9.5926 k = 0.0000 0.3088 0.2929 ( 8812 PWs) bands (ev): -68.1310 -68.1310 -68.1302 -68.1302 -35.0729 -35.0729 -35.0693 -35.0693 -34.7857 -34.7857 -34.7847 -34.7847 -34.7845 -34.7845 -34.7783 -34.7783 -20.5936 -20.5936 -20.5539 -20.5539 -7.3437 -7.3437 -7.2414 -7.2414 -5.4754 -5.4754 -5.4049 -5.4049 -5.1847 -5.1847 -5.1090 -5.1090 -0.3802 -0.3802 0.1350 0.1350 4.2813 4.2813 4.4930 4.4930 6.1204 6.1204 6.3517 6.3517 7.0968 7.0968 7.1837 7.1837 8.5430 8.5430 8.6267 8.6267 9.2861 9.2861 9.3526 9.3526 9.6273 9.6273 k = 0.0000 0.3235 0.2929 ( 8818 PWs) bands (ev): -68.1309 -68.1309 -68.1302 -68.1302 -35.0728 -35.0728 -35.0694 -35.0694 -34.7857 -34.7857 -34.7845 -34.7845 -34.7845 -34.7845 -34.7785 -34.7785 -20.5919 -20.5919 -20.5548 -20.5548 -7.3428 -7.3428 -7.2475 -7.2475 -5.4783 -5.4783 -5.4103 -5.4103 -5.1841 -5.1841 -5.1113 -5.1113 -0.3471 -0.3471 0.1442 0.1442 4.2298 4.2298 4.4823 4.4823 6.0938 6.0938 6.3599 6.3599 7.0799 7.0799 7.1356 7.1356 8.5457 8.5457 8.5809 8.5809 9.3362 9.3362 9.3642 9.3642 9.6660 9.6660 k = 0.0000 0.3382 0.2929 ( 8816 PWs) bands (ev): -68.1309 -68.1309 -68.1303 -68.1303 -35.0726 -35.0726 -35.0695 -35.0695 -34.7856 -34.7856 -34.7846 -34.7846 -34.7843 -34.7843 -34.7787 -34.7787 -20.5901 -20.5901 -20.5558 -20.5558 -7.3417 -7.3417 -7.2536 -7.2536 -5.4809 -5.4809 -5.4159 -5.4159 -5.1830 -5.1830 -5.1136 -5.1136 -0.3134 -0.3134 0.1510 0.1510 4.1848 4.1848 4.4659 4.4659 6.0777 6.0777 6.3695 6.3695 7.0457 7.0457 7.0961 7.0961 8.5368 8.5368 8.5491 8.5491 9.3769 9.3769 9.3918 9.3918 9.7084 9.7084 k = 0.0000 0.3529 0.2929 ( 8812 PWs) bands (ev): -68.1309 -68.1309 -68.1303 -68.1303 -35.0725 -35.0725 -35.0697 -35.0697 -34.7856 -34.7856 -34.7846 -34.7846 -34.7840 -34.7840 -34.7790 -34.7790 -20.5883 -20.5883 -20.5569 -20.5569 -7.3404 -7.3404 -7.2598 -7.2598 -5.4830 -5.4830 -5.4216 -5.4216 -5.1815 -5.1815 -5.1161 -5.1161 -0.2793 -0.2793 0.1552 0.1552 4.1464 4.1464 4.4441 4.4441 6.0723 6.0723 6.3805 6.3805 7.0001 7.0001 7.0599 7.0599 8.5095 8.5095 8.5396 8.5396 9.3916 9.3916 9.4495 9.4495 9.7542 9.7542 k = 0.0000 0.3676 0.2929 ( 8820 PWs) bands (ev): -68.1309 -68.1309 -68.1303 -68.1303 -35.0724 -35.0724 -35.0698 -35.0698 -34.7855 -34.7855 -34.7846 -34.7846 -34.7838 -34.7838 -34.7792 -34.7792 -20.5864 -20.5864 -20.5580 -20.5580 -7.3389 -7.3389 -7.2658 -7.2658 -5.4847 -5.4847 -5.4275 -5.4275 -5.1795 -5.1795 -5.1187 -5.1187 -0.2451 -0.2451 0.1565 0.1565 4.1146 4.1146 4.4176 4.4176 6.0772 6.0772 6.3931 6.3931 6.9511 6.9511 7.0195 7.0195 8.4869 8.4869 8.5308 8.5308 9.4088 9.4088 9.5062 9.5062 9.8031 9.8031 k = 0.0000 0.3824 0.2929 ( 8828 PWs) bands (ev): -68.1308 -68.1308 -68.1304 -68.1304 -35.0722 -35.0722 -35.0699 -35.0699 -34.7855 -34.7855 -34.7847 -34.7847 -34.7836 -34.7836 -34.7795 -34.7795 -20.5846 -20.5846 -20.5592 -20.5592 -7.3371 -7.3371 -7.2717 -7.2717 -5.4858 -5.4858 -5.4334 -5.4334 -5.1771 -5.1771 -5.1214 -5.1214 -0.2108 -0.2108 0.1549 0.1549 4.0897 4.0897 4.3870 4.3870 6.0919 6.0919 6.4074 6.4074 6.9019 6.9019 6.9732 6.9732 8.4706 8.4706 8.5210 8.5210 9.4289 9.4289 9.5588 9.5588 9.8548 9.8548 k = 0.0000 0.3971 0.2929 ( 8838 PWs) bands (ev): -68.1308 -68.1308 -68.1304 -68.1304 -35.0721 -35.0721 -35.0701 -35.0701 -34.7855 -34.7855 -34.7848 -34.7848 -34.7833 -34.7833 -34.7797 -34.7797 -20.5828 -20.5828 -20.5604 -20.5604 -7.3350 -7.3350 -7.2776 -7.2776 -5.4863 -5.4863 -5.4393 -5.4393 -5.1743 -5.1743 -5.1243 -5.1243 -0.1768 -0.1768 0.1503 0.1503 4.0715 4.0715 4.3534 4.3534 6.1155 6.1155 6.4234 6.4234 6.8532 6.8532 6.9215 6.9215 8.4596 8.4596 8.5109 8.5109 9.4521 9.4521 9.6048 9.6048 9.9091 9.9091 k = 0.0000 0.4118 0.2929 ( 8822 PWs) bands (ev): -68.1308 -68.1308 -68.1304 -68.1304 -35.0720 -35.0720 -35.0702 -35.0702 -34.7854 -34.7854 -34.7848 -34.7848 -34.7831 -34.7831 -34.7800 -34.7800 -20.5810 -20.5810 -20.5617 -20.5617 -7.3327 -7.3327 -7.2832 -7.2832 -5.4863 -5.4863 -5.4451 -5.4451 -5.1712 -5.1712 -5.1274 -5.1274 -0.1432 -0.1432 0.1427 0.1427 4.0599 4.0599 4.3177 4.3177 6.1471 6.1471 6.4412 6.4412 6.8050 6.8050 6.8662 6.8662 8.4529 8.4529 8.5010 8.5010 9.4783 9.4783 9.6423 9.6423 9.9655 9.9655 k = 0.0000 0.4265 0.2929 ( 8826 PWs) bands (ev): -68.1307 -68.1307 -68.1304 -68.1304 -35.0718 -35.0718 -35.0704 -35.0704 -34.7854 -34.7854 -34.7849 -34.7849 -34.7828 -34.7828 -34.7802 -34.7802 -20.5792 -20.5792 -20.5631 -20.5631 -7.3301 -7.3301 -7.2887 -7.2887 -5.4857 -5.4857 -5.4507 -5.4507 -5.1679 -5.1679 -5.1307 -5.1307 -0.1102 -0.1102 0.1320 0.1320 4.0549 4.0549 4.2812 4.2812 6.1859 6.1859 6.4610 6.4610 6.7559 6.7559 6.8099 6.8099 8.4493 8.4493 8.4916 8.4916 9.5070 9.5070 9.6696 9.6696 10.0237 10.0237 k = 0.0000 0.4412 0.2929 ( 8834 PWs) bands (ev): -68.1307 -68.1307 -68.1305 -68.1305 -35.0717 -35.0717 -35.0705 -35.0705 -34.7853 -34.7853 -34.7849 -34.7849 -34.7826 -34.7826 -34.7805 -34.7805 -20.5774 -20.5774 -20.5645 -20.5645 -7.3272 -7.3272 -7.2940 -7.2940 -5.4845 -5.4845 -5.4561 -5.4561 -5.1643 -5.1643 -5.1341 -5.1341 -0.0781 -0.0781 0.1184 0.1184 4.0563 4.0563 4.2447 4.2447 6.2309 6.2309 6.4826 6.4826 6.7037 6.7037 6.7564 6.7564 8.4482 8.4482 8.4830 8.4830 9.5375 9.5375 9.6861 9.6861 10.0829 10.0829 k = 0.0000 0.4559 0.2929 ( 8830 PWs) bands (ev): -68.1307 -68.1307 -68.1305 -68.1305 -35.0715 -35.0715 -35.0707 -35.0707 -34.7853 -34.7853 -34.7850 -34.7850 -34.7823 -34.7823 -34.7808 -34.7808 -20.5757 -20.5757 -20.5659 -20.5659 -7.3241 -7.3241 -7.2991 -7.2991 -5.4827 -5.4827 -5.4612 -5.4612 -5.1606 -5.1606 -5.1377 -5.1377 -0.0470 -0.0470 0.1019 0.1019 4.0636 4.0636 4.2092 4.2092 6.2813 6.2813 6.5060 6.5060 6.6468 6.6468 6.7089 6.7089 8.4488 8.4488 8.4753 8.4753 9.5689 9.5689 9.6919 9.6919 10.1424 10.1424 k = 0.0000 0.4706 0.2929 ( 8828 PWs) bands (ev): -68.1307 -68.1307 -68.1305 -68.1305 -35.0714 -35.0714 -35.0708 -35.0708 -34.7852 -34.7852 -34.7850 -34.7850 -34.7820 -34.7820 -34.7810 -34.7810 -20.5739 -20.5739 -20.5674 -20.5674 -7.3206 -7.3206 -7.3039 -7.3039 -5.4804 -5.4804 -5.4659 -5.4659 -5.1568 -5.1568 -5.1414 -5.1414 -0.0174 -0.0174 0.0827 0.0827 4.0766 4.0766 4.1758 4.1758 6.3360 6.3360 6.5289 6.5289 6.5885 6.5885 6.6673 6.6673 8.4507 8.4507 8.4685 8.4685 9.5998 9.5998 9.6876 9.6876 10.2008 10.2008 k = 0.0000 0.4853 0.2929 ( 8830 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0712 -35.0712 -35.0709 -35.0709 -34.7852 -34.7852 -34.7851 -34.7851 -34.7818 -34.7818 -34.7813 -34.7813 -20.5723 -20.5723 -20.5690 -20.5690 -7.3169 -7.3169 -7.3085 -7.3085 -5.4775 -5.4775 -5.4703 -5.4703 -5.1529 -5.1529 -5.1452 -5.1452 0.0107 0.0107 0.0609 0.0609 4.0949 4.0949 4.1451 4.1451 6.3941 6.3941 6.5134 6.5134 6.5696 6.5696 6.6302 6.6302 8.4537 8.4537 8.4626 8.4626 9.6289 9.6289 9.6745 9.6745 10.2560 10.2560 k = 0.0000 0.5000 0.2929 ( 8828 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0711 -35.0711 -35.0711 -35.0711 -34.7851 -34.7851 -34.7851 -34.7851 -34.7815 -34.7815 -34.7815 -34.7815 -20.5706 -20.5706 -20.5706 -20.5706 -7.3128 -7.3128 -7.3128 -7.3128 -5.4741 -5.4741 -5.4741 -5.4741 -5.1490 -5.1490 -5.1490 -5.1490 0.0368 0.0368 0.0368 0.0368 4.1179 4.1179 4.1179 4.1179 6.4545 6.4545 6.4545 6.4545 6.5970 6.5970 6.5970 6.5970 8.4577 8.4577 8.4577 8.4577 9.6544 9.6544 9.6544 9.6544 10.3047 10.3047 k = 0.0000 0.5000 0.2929 ( 8828 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0711 -35.0711 -35.0711 -35.0711 -34.7851 -34.7851 -34.7851 -34.7851 -34.7815 -34.7815 -34.7815 -34.7815 -20.5706 -20.5706 -20.5706 -20.5706 -7.3128 -7.3128 -7.3128 -7.3128 -5.4741 -5.4741 -5.4741 -5.4741 -5.1490 -5.1490 -5.1490 -5.1490 0.0368 0.0368 0.0368 0.0368 4.1179 4.1179 4.1179 4.1179 6.4545 6.4545 6.4545 6.4545 6.5970 6.5970 6.5970 6.5970 8.4577 8.4577 8.4577 8.4577 9.6544 9.6544 9.6544 9.6544 10.3047 10.3047 k = 0.0147 0.5000 0.2929 ( 8820 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0711 -35.0711 -35.0711 -35.0711 -34.7851 -34.7851 -34.7851 -34.7851 -34.7815 -34.7815 -34.7815 -34.7815 -20.5706 -20.5706 -20.5706 -20.5706 -7.3129 -7.3129 -7.3128 -7.3128 -5.4785 -5.4785 -5.4696 -5.4696 -5.1542 -5.1542 -5.1445 -5.1445 0.0366 0.0366 0.0371 0.0371 4.1176 4.1176 4.1186 4.1186 6.4509 6.4509 6.4567 6.4567 6.5900 6.5900 6.6010 6.6010 8.4553 8.4553 8.4558 8.4558 9.6505 9.6505 9.6562 9.6562 10.3045 10.3045 k = 0.0294 0.5000 0.2929 ( 8820 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0711 -35.0711 -35.0711 -35.0711 -34.7852 -34.7852 -34.7851 -34.7851 -34.7815 -34.7815 -34.7815 -34.7815 -20.5705 -20.5705 -20.5705 -20.5705 -7.3131 -7.3131 -7.3128 -7.3128 -5.4828 -5.4828 -5.4649 -5.4649 -5.1600 -5.1600 -5.1406 -5.1406 0.0366 0.0366 0.0376 0.0376 4.1178 4.1178 4.1197 4.1197 6.4462 6.4462 6.4573 6.4573 6.5804 6.5804 6.6020 6.6020 8.4486 8.4486 8.4497 8.4497 9.6449 9.6449 9.6560 9.6560 10.3097 10.3097 k = 0.0441 0.5000 0.2929 ( 8820 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0711 -35.0711 -35.0711 -35.0711 -34.7852 -34.7852 -34.7852 -34.7852 -34.7814 -34.7814 -34.7814 -34.7814 -20.5704 -20.5704 -20.5704 -20.5704 -7.3134 -7.3134 -7.3129 -7.3129 -5.4868 -5.4868 -5.4600 -5.4600 -5.1664 -5.1664 -5.1374 -5.1374 0.0366 0.0366 0.0381 0.0381 4.1185 4.1185 4.1212 4.1212 6.4406 6.4406 6.4564 6.4564 6.5682 6.5682 6.5997 6.5997 8.4378 8.4378 8.4398 8.4398 9.6382 9.6382 9.6541 9.6541 10.3199 10.3199 k = 0.0588 0.5000 0.2929 ( 8828 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0711 -35.0711 -35.0711 -35.0711 -34.7853 -34.7853 -34.7852 -34.7852 -34.7814 -34.7814 -34.7814 -34.7814 -20.5703 -20.5703 -20.5703 -20.5703 -7.3137 -7.3137 -7.3130 -7.3130 -5.4907 -5.4907 -5.4550 -5.4550 -5.1734 -5.1734 -5.1349 -5.1349 0.0368 0.0368 0.0387 0.0387 4.1195 4.1195 4.1231 4.1231 6.4344 6.4344 6.4540 6.4540 6.5534 6.5534 6.5937 6.5937 8.4235 8.4235 8.4265 8.4265 9.6310 9.6310 9.6510 9.6510 10.3347 10.3347 k = 0.0735 0.5000 0.2929 ( 8828 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0711 -35.0711 -35.0711 -35.0711 -34.7854 -34.7854 -34.7853 -34.7853 -34.7813 -34.7813 -34.7813 -34.7813 -20.5701 -20.5701 -20.5701 -20.5701 -7.3141 -7.3141 -7.3133 -7.3133 -5.4944 -5.4944 -5.4499 -5.4499 -5.1810 -5.1810 -5.1330 -5.1330 0.0371 0.0371 0.0394 0.0394 4.1210 4.1210 4.1252 4.1252 6.4279 6.4279 6.4501 6.4501 6.5361 6.5361 6.5839 6.5839 8.4063 8.4063 8.4106 8.4106 9.6241 9.6241 9.6473 9.6473 10.3536 10.3536 k = 0.0882 0.5000 0.2929 ( 8824 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0711 -35.0711 -35.0711 -35.0711 -34.7854 -34.7854 -34.7854 -34.7854 -34.7812 -34.7812 -34.7812 -34.7812 -20.5699 -20.5699 -20.5699 -20.5699 -7.3145 -7.3145 -7.3136 -7.3136 -5.4979 -5.4979 -5.4446 -5.4446 -5.1892 -5.1892 -5.1318 -5.1318 0.0375 0.0375 0.0402 0.0402 4.1229 4.1229 4.1277 4.1277 6.4213 6.4213 6.4450 6.4450 6.5161 6.5161 6.5701 6.5701 8.3869 8.3869 8.3927 8.3927 9.6184 9.6184 9.6440 9.6440 10.3760 10.3760 k = 0.1029 0.5000 0.2929 ( 8824 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0711 -35.0711 -35.0711 -35.0711 -34.7855 -34.7855 -34.7855 -34.7855 -34.7811 -34.7811 -34.7811 -34.7811 -20.5696 -20.5696 -20.5696 -20.5696 -7.3150 -7.3150 -7.3140 -7.3140 -5.5012 -5.5012 -5.4392 -5.4392 -5.1978 -5.1978 -5.1311 -5.1311 0.0379 0.0379 0.0411 0.0411 4.1253 4.1253 4.1304 4.1304 6.4147 6.4147 6.4385 6.4385 6.4936 6.4936 6.5523 6.5523 8.3660 8.3660 8.3736 8.3736 9.6145 9.6145 9.6417 9.6417 10.4011 10.4011 k = 0.1176 0.5000 0.2929 ( 8824 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0711 -35.0711 -35.0711 -35.0711 -34.7856 -34.7856 -34.7856 -34.7856 -34.7810 -34.7810 -34.7810 -34.7810 -20.5694 -20.5694 -20.5694 -20.5694 -7.3156 -7.3156 -7.3144 -7.3144 -5.5042 -5.5042 -5.4337 -5.4337 -5.2068 -5.2068 -5.1311 -5.1311 0.0384 0.0384 0.0420 0.0420 4.1279 4.1279 4.1333 4.1333 6.4083 6.4083 6.4305 6.4305 6.4691 6.4691 6.5305 6.5305 8.3446 8.3446 8.3541 8.3541 9.6131 9.6131 9.6413 9.6413 10.4283 10.4283 k = 0.1324 0.5000 0.2929 ( 8816 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0711 -35.0711 -35.0711 -35.0711 -34.7858 -34.7858 -34.7857 -34.7857 -34.7809 -34.7809 -34.7809 -34.7809 -20.5691 -20.5691 -20.5690 -20.5690 -7.3162 -7.3162 -7.3149 -7.3149 -5.5070 -5.5070 -5.4281 -5.4281 -5.2163 -5.2163 -5.1317 -5.1317 0.0390 0.0390 0.0429 0.0429 4.1310 4.1310 4.1364 4.1364 6.4018 6.4018 6.4183 6.4183 6.4454 6.4454 6.5050 6.5050 8.3232 8.3232 8.3349 8.3349 9.6147 9.6147 9.6434 9.6434 10.4568 10.4568 k = 0.1471 0.5000 0.2929 ( 8812 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0711 -35.0711 -35.0711 -35.0711 -34.7859 -34.7859 -34.7858 -34.7858 -34.7808 -34.7808 -34.7808 -34.7808 -20.5687 -20.5687 -20.5687 -20.5687 -7.3169 -7.3169 -7.3155 -7.3155 -5.5096 -5.5096 -5.4224 -5.4224 -5.2261 -5.2261 -5.1328 -5.1328 0.0396 0.0396 0.0437 0.0437 4.1344 4.1344 4.1397 4.1397 6.3947 6.3947 6.3950 6.3950 6.4293 6.4293 6.4766 6.4766 8.3028 8.3028 8.3166 8.3166 9.6199 9.6199 9.6487 9.6487 10.4859 10.4859 k = 0.1618 0.5000 0.2929 ( 8804 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0711 -35.0711 -35.0711 -35.0711 -34.7860 -34.7860 -34.7859 -34.7859 -34.7807 -34.7807 -34.7806 -34.7806 -20.5683 -20.5683 -20.5683 -20.5683 -7.3177 -7.3177 -7.3162 -7.3162 -5.5119 -5.5119 -5.4167 -5.4167 -5.2362 -5.2362 -5.1344 -5.1344 0.0402 0.0402 0.0446 0.0446 4.1382 4.1382 4.1433 4.1433 6.3621 6.3621 6.3850 6.3850 6.4198 6.4198 6.4475 6.4475 8.2839 8.2839 8.2999 8.2999 9.6291 9.6291 9.6577 9.6577 10.5149 10.5149 k = 0.1765 0.5000 0.2929 ( 8808 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0711 -35.0711 -35.0711 -35.0711 -34.7861 -34.7861 -34.7861 -34.7861 -34.7806 -34.7806 -34.7805 -34.7805 -20.5680 -20.5680 -20.5680 -20.5680 -7.3185 -7.3185 -7.3169 -7.3169 -5.5139 -5.5139 -5.4108 -5.4108 -5.2465 -5.2465 -5.1365 -5.1365 0.0408 0.0408 0.0454 0.0454 4.1424 4.1424 4.1470 4.1470 6.3243 6.3243 6.3673 6.3673 6.4125 6.4125 6.4232 6.4232 8.2671 8.2671 8.2851 8.2851 9.6425 9.6425 9.6709 9.6709 10.5431 10.5431 k = 0.1912 0.5000 0.2929 ( 8812 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0711 -35.0711 -35.0711 -35.0711 -34.7862 -34.7862 -34.7862 -34.7862 -34.7804 -34.7804 -34.7804 -34.7804 -20.5676 -20.5676 -20.5675 -20.5675 -7.3193 -7.3193 -7.3177 -7.3177 -5.5157 -5.5157 -5.4049 -5.4049 -5.2570 -5.2570 -5.1391 -5.1391 0.0414 0.0414 0.0462 0.0462 4.1470 4.1470 4.1510 4.1510 6.2830 6.2830 6.3364 6.3364 6.4061 6.4061 6.4092 6.4092 8.2530 8.2530 8.2729 8.2729 9.6605 9.6605 9.6888 9.6888 10.5700 10.5700 k = 0.2059 0.5000 0.2929 ( 8796 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0711 -35.0711 -35.0711 -35.0711 -34.7863 -34.7863 -34.7863 -34.7863 -34.7803 -34.7803 -34.7803 -34.7803 -20.5671 -20.5671 -20.5671 -20.5671 -7.3202 -7.3202 -7.3185 -7.3185 -5.5171 -5.5171 -5.3990 -5.3990 -5.2676 -5.2676 -5.1421 -5.1421 0.0419 0.0419 0.0469 0.0469 4.1520 4.1520 4.1554 4.1554 6.2388 6.2388 6.2958 6.2958 6.4002 6.4002 6.4022 6.4022 8.2418 8.2418 8.2633 8.2633 9.6832 9.6832 9.7115 9.7115 10.5951 10.5951 k = 0.2206 0.5000 0.2929 ( 8788 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0711 -35.0711 -35.0711 -35.0711 -34.7865 -34.7865 -34.7864 -34.7864 -34.7802 -34.7802 -34.7801 -34.7801 -20.5667 -20.5667 -20.5667 -20.5667 -7.3212 -7.3212 -7.3194 -7.3194 -5.5182 -5.5182 -5.3931 -5.3931 -5.2782 -5.2782 -5.1456 -5.1456 0.0424 0.0424 0.0475 0.0475 4.1575 4.1575 4.1601 4.1601 6.1922 6.1922 6.2500 6.2500 6.3949 6.3949 6.3980 6.3980 8.2338 8.2338 8.2567 8.2567 9.7108 9.7108 9.7393 9.7393 10.6178 10.6178 k = 0.2353 0.5000 0.2929 ( 8784 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0711 -35.0711 -35.0711 -35.0711 -34.7866 -34.7866 -34.7865 -34.7865 -34.7801 -34.7801 -34.7800 -34.7800 -20.5663 -20.5663 -20.5663 -20.5663 -7.3221 -7.3221 -7.3204 -7.3204 -5.5190 -5.5190 -5.3873 -5.3873 -5.2886 -5.2886 -5.1494 -5.1494 0.0428 0.0428 0.0479 0.0479 4.1635 4.1635 4.1652 4.1652 6.1437 6.1437 6.2009 6.2009 6.3898 6.3898 6.3951 6.3951 8.2293 8.2293 8.2531 8.2531 9.7434 9.7434 9.7725 9.7725 10.6380 10.6380 k = 0.2500 0.5000 0.2929 ( 8788 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0711 -35.0711 -35.0711 -35.0711 -34.7867 -34.7867 -34.7866 -34.7866 -34.7799 -34.7799 -34.7799 -34.7799 -20.5658 -20.5658 -20.5658 -20.5658 -7.3231 -7.3231 -7.3214 -7.3214 -5.5194 -5.5194 -5.3816 -5.3816 -5.2989 -5.2989 -5.1535 -5.1535 0.0432 0.0432 0.0483 0.0483 4.1701 4.1701 4.1709 4.1709 6.0936 6.0936 6.1495 6.1495 6.3850 6.3850 6.3925 6.3925 8.2283 8.2283 8.2526 8.2526 9.7809 9.7809 9.8111 9.8111 10.6553 10.6553 k = 0.2647 0.5000 0.2929 ( 8800 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0712 -35.0712 -35.0712 -35.0712 -34.7868 -34.7868 -34.7868 -34.7868 -34.7798 -34.7798 -34.7798 -34.7798 -20.5654 -20.5654 -20.5654 -20.5654 -7.3241 -7.3241 -7.3224 -7.3224 -5.5195 -5.5195 -5.3764 -5.3764 -5.3086 -5.3086 -5.1580 -5.1580 0.0435 0.0435 0.0485 0.0485 4.1771 4.1771 4.1772 4.1772 6.0424 6.0424 6.0966 6.0966 6.3804 6.3804 6.3901 6.3901 8.2308 8.2308 8.2552 8.2552 9.8235 9.8235 9.8551 9.8551 10.6697 10.6697 k = 0.2794 0.5000 0.2929 ( 8792 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0712 -35.0712 -35.0712 -35.0712 -34.7869 -34.7869 -34.7869 -34.7869 -34.7797 -34.7797 -34.7797 -34.7797 -20.5649 -20.5649 -20.5649 -20.5649 -7.3251 -7.3251 -7.3234 -7.3234 -5.5193 -5.5193 -5.3719 -5.3719 -5.3175 -5.3175 -5.1627 -5.1627 0.0437 0.0437 0.0487 0.0487 4.1839 4.1839 4.1850 4.1850 5.9906 5.9906 6.0428 6.0428 6.3759 6.3759 6.3875 6.3875 8.2366 8.2366 8.2606 8.2606 9.8708 9.8708 9.9045 9.9045 10.6813 10.6813 k = 0.2941 0.5000 0.2929 ( 8788 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0712 -35.0712 -35.0712 -35.0712 -34.7870 -34.7870 -34.7870 -34.7870 -34.7796 -34.7796 -34.7796 -34.7796 -20.5645 -20.5645 -20.5645 -20.5645 -7.3261 -7.3261 -7.3245 -7.3245 -5.5186 -5.5186 -5.3691 -5.3691 -5.3245 -5.3245 -5.1678 -5.1678 0.0438 0.0438 0.0487 0.0487 4.1914 4.1914 4.1933 4.1933 5.9387 5.9387 5.9885 5.9885 6.3715 6.3715 6.3846 6.3846 8.2455 8.2455 8.2687 8.2687 9.9227 9.9227 9.9592 9.9592 10.6905 10.6905 k = 0.3088 0.5000 0.2929 ( 8796 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0712 -35.0712 -35.0712 -35.0712 -34.7871 -34.7871 -34.7871 -34.7871 -34.7795 -34.7795 -34.7795 -34.7795 -20.5641 -20.5641 -20.5641 -20.5641 -7.3271 -7.3271 -7.3256 -7.3256 -5.5176 -5.5176 -5.3690 -5.3690 -5.3286 -5.3286 -5.1730 -5.1730 0.0439 0.0439 0.0486 0.0486 4.1995 4.1995 4.2023 4.2023 5.8872 5.8872 5.9345 5.9345 6.3671 6.3671 6.3814 6.3814 8.2572 8.2572 8.2792 8.2792 9.9788 9.9788 10.0189 10.0189 10.6975 10.6975 k = 0.3235 0.5000 0.2929 ( 8800 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0712 -35.0712 -35.0712 -35.0712 -34.7872 -34.7872 -34.7872 -34.7872 -34.7795 -34.7795 -34.7794 -34.7794 -20.5637 -20.5637 -20.5637 -20.5637 -7.3281 -7.3281 -7.3266 -7.3266 -5.5161 -5.5161 -5.3725 -5.3725 -5.3288 -5.3288 -5.1785 -5.1785 0.0439 0.0439 0.0484 0.0484 4.2082 4.2082 4.2118 4.2118 5.8365 5.8365 5.8812 5.8812 6.3627 6.3627 6.3777 6.3777 8.2712 8.2712 8.2917 8.2917 10.0385 10.0385 10.0831 10.0831 10.7032 10.7032 k = 0.3382 0.5000 0.2929 ( 8808 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0712 -35.0712 -35.0712 -35.0712 -34.7873 -34.7873 -34.7873 -34.7873 -34.7794 -34.7794 -34.7793 -34.7793 -20.5633 -20.5633 -20.5633 -20.5633 -7.3291 -7.3291 -7.3277 -7.3277 -5.5143 -5.5143 -5.3788 -5.3788 -5.3260 -5.3260 -5.1842 -5.1842 0.0438 0.0438 0.0481 0.0481 4.2175 4.2175 4.2218 4.2218 5.7872 5.7872 5.8291 5.8291 6.3584 6.3584 6.3738 6.3738 8.2870 8.2870 8.3059 8.3059 10.1008 10.1008 10.1512 10.1512 10.7087 10.7087 k = 0.3529 0.5000 0.2929 ( 8820 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0712 -35.0712 -35.0712 -35.0712 -34.7874 -34.7874 -34.7873 -34.7873 -34.7793 -34.7793 -34.7793 -34.7793 -20.5629 -20.5629 -20.5629 -20.5629 -7.3300 -7.3300 -7.3287 -7.3287 -5.5121 -5.5121 -5.3867 -5.3867 -5.3214 -5.3214 -5.1901 -5.1901 0.0437 0.0437 0.0477 0.0477 4.2273 4.2273 4.2321 4.2321 5.7397 5.7397 5.7787 5.7787 6.3543 6.3543 6.3695 6.3695 8.3042 8.3042 8.3212 8.3212 10.1645 10.1645 10.2222 10.2222 10.7101 10.7101 k = 0.3676 0.5000 0.2929 ( 8808 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0712 -35.0712 -35.0712 -35.0712 -34.7874 -34.7874 -34.7874 -34.7874 -34.7792 -34.7792 -34.7792 -34.7792 -20.5626 -20.5626 -20.5626 -20.5626 -7.3308 -7.3308 -7.3296 -7.3296 -5.5094 -5.5094 -5.3952 -5.3952 -5.3158 -5.3158 -5.1961 -5.1961 0.0436 0.0436 0.0473 0.0473 4.2375 4.2375 4.2426 4.2426 5.6947 5.6947 5.7305 5.7305 6.3503 6.3503 6.3650 6.3650 8.3222 8.3222 8.3371 8.3371 10.2277 10.2277 10.2940 10.2940 10.7061 10.7061 k = 0.3824 0.5000 0.2929 ( 8804 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0712 -35.0712 -35.0712 -35.0712 -34.7875 -34.7875 -34.7875 -34.7875 -34.7792 -34.7792 -34.7791 -34.7791 -20.5623 -20.5623 -20.5623 -20.5623 -7.3316 -7.3316 -7.3305 -7.3305 -5.5063 -5.5063 -5.4039 -5.4039 -5.3097 -5.3097 -5.2023 -5.2023 0.0434 0.0434 0.0468 0.0468 4.2477 4.2477 4.2531 4.2531 5.6526 5.6526 5.6852 5.6852 6.3465 6.3465 6.3604 6.3604 8.3404 8.3404 8.3533 8.3533 10.2876 10.2876 10.3636 10.3636 10.7064 10.7064 k = 0.3971 0.5000 0.2929 ( 8808 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0712 -35.0712 -35.0712 -35.0712 -34.7876 -34.7876 -34.7875 -34.7875 -34.7791 -34.7791 -34.7791 -34.7791 -20.5620 -20.5620 -20.5620 -20.5620 -7.3323 -7.3323 -7.3313 -7.3313 -5.5028 -5.5028 -5.4127 -5.4127 -5.3032 -5.3032 -5.2086 -5.2086 0.0433 0.0433 0.0463 0.0463 4.2580 4.2580 4.2634 4.2634 5.6140 5.6140 5.6431 5.6431 6.3430 6.3430 6.3558 6.3558 8.3582 8.3582 8.3690 8.3690 10.3411 10.3411 10.4253 10.4253 10.7164 10.7164 k = 0.4118 0.5000 0.2929 ( 8804 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0712 -35.0712 -35.0712 -35.0712 -34.7876 -34.7876 -34.7876 -34.7876 -34.7791 -34.7791 -34.7790 -34.7790 -20.5617 -20.5617 -20.5617 -20.5617 -7.3330 -7.3330 -7.3321 -7.3321 -5.4989 -5.4989 -5.4213 -5.4213 -5.2966 -5.2966 -5.2150 -5.2150 0.0432 0.0432 0.0458 0.0458 4.2679 4.2679 4.2731 4.2731 5.5794 5.5794 5.6049 5.6049 6.3400 6.3400 6.3514 6.3514 8.3750 8.3750 8.3839 8.3839 10.3853 10.3853 10.4715 10.4715 10.7431 10.7431 k = 0.4265 0.5000 0.2929 ( 8792 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0712 -35.0712 -35.0712 -35.0712 -34.7876 -34.7876 -34.7876 -34.7876 -34.7790 -34.7790 -34.7790 -34.7790 -20.5615 -20.5615 -20.5615 -20.5615 -7.3335 -7.3335 -7.3328 -7.3328 -5.4946 -5.4946 -5.4296 -5.4296 -5.2898 -5.2898 -5.2216 -5.2216 0.0431 0.0431 0.0453 0.0453 4.2771 4.2771 4.2819 4.2819 5.5494 5.5494 5.5711 5.5711 6.3374 6.3374 6.3473 6.3473 8.3903 8.3903 8.3974 8.3974 10.4188 10.4188 10.4977 10.4977 10.7895 10.7895 k = 0.4412 0.5000 0.2929 ( 8804 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0712 -35.0712 -35.0712 -35.0712 -34.7877 -34.7877 -34.7877 -34.7877 -34.7790 -34.7790 -34.7790 -34.7790 -20.5613 -20.5613 -20.5613 -20.5613 -7.3339 -7.3339 -7.3333 -7.3333 -5.4899 -5.4899 -5.4377 -5.4377 -5.2830 -5.2830 -5.2282 -5.2282 0.0430 0.0430 0.0448 0.0448 4.2855 4.2855 4.2896 4.2896 5.5245 5.5245 5.5421 5.5421 6.3354 6.3354 6.3435 6.3435 8.4036 8.4036 8.4091 8.4091 10.4427 10.4427 10.5075 10.5075 10.8499 10.8499 k = 0.4559 0.5000 0.2929 ( 8796 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0712 -35.0712 -35.0712 -35.0712 -34.7877 -34.7877 -34.7877 -34.7877 -34.7789 -34.7789 -34.7789 -34.7789 -20.5612 -20.5612 -20.5612 -20.5612 -7.3343 -7.3343 -7.3338 -7.3338 -5.4847 -5.4847 -5.4455 -5.4455 -5.2761 -5.2761 -5.2349 -5.2349 0.0430 0.0430 0.0444 0.0444 4.2925 4.2925 4.2958 4.2958 5.5050 5.5050 5.5184 5.5184 6.3340 6.3340 6.3402 6.3402 8.4146 8.4146 8.4186 8.4186 10.4594 10.4594 10.5078 10.5078 10.9143 10.9143 k = 0.4706 0.5000 0.2929 ( 8800 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0712 -35.0712 -35.0712 -35.0712 -34.7877 -34.7877 -34.7877 -34.7877 -34.7789 -34.7789 -34.7789 -34.7789 -20.5611 -20.5611 -20.5611 -20.5611 -7.3345 -7.3345 -7.3342 -7.3342 -5.4791 -5.4791 -5.4530 -5.4530 -5.2692 -5.2692 -5.2417 -5.2417 0.0431 0.0431 0.0440 0.0440 4.2980 4.2980 4.3003 4.3003 5.4915 5.4915 5.5005 5.5005 6.3333 6.3333 6.3375 6.3375 8.4228 8.4228 8.4254 8.4254 10.4716 10.4716 10.5035 10.5035 10.9725 10.9725 k = 0.4853 0.5000 0.2929 ( 8808 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0712 -35.0712 -35.0712 -35.0712 -34.7877 -34.7877 -34.7877 -34.7877 -34.7789 -34.7789 -34.7789 -34.7789 -20.5610 -20.5610 -20.5610 -20.5610 -7.3346 -7.3346 -7.3344 -7.3344 -5.4732 -5.4732 -5.4601 -5.4601 -5.2623 -5.2623 -5.2485 -5.2485 0.0432 0.0432 0.0437 0.0437 4.3016 4.3016 4.3028 4.3028 5.4842 5.4842 5.4887 5.4887 6.3333 6.3333 6.3354 6.3354 8.4281 8.4281 8.4294 8.4294 10.4812 10.4812 10.4970 10.4970 11.0154 11.0154 k = 0.5000 0.5000 0.2929 ( 8808 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0712 -35.0712 -35.0712 -35.0712 -34.7877 -34.7877 -34.7877 -34.7877 -34.7789 -34.7789 -34.7789 -34.7789 -20.5610 -20.5610 -20.5610 -20.5610 -7.3346 -7.3346 -7.3346 -7.3346 -5.4668 -5.4668 -5.4668 -5.4668 -5.2554 -5.2554 -5.2554 -5.2554 0.0434 0.0434 0.0434 0.0434 4.3033 4.3033 4.3033 4.3033 5.4832 5.4832 5.4832 5.4832 6.3340 6.3340 6.3340 6.3340 8.4303 8.4303 8.4303 8.4303 10.4895 10.4895 10.4895 10.4895 11.0352 11.0352 k = 0.5000 0.5000 0.2929 ( 8808 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0712 -35.0712 -35.0712 -35.0712 -34.7877 -34.7877 -34.7877 -34.7877 -34.7789 -34.7789 -34.7789 -34.7789 -20.5610 -20.5610 -20.5610 -20.5610 -7.3346 -7.3346 -7.3346 -7.3346 -5.4668 -5.4668 -5.4668 -5.4668 -5.2554 -5.2554 -5.2554 -5.2554 0.0434 0.0434 0.0434 0.0434 4.3033 4.3033 4.3033 4.3033 5.4832 5.4832 5.4832 5.4832 6.3340 6.3340 6.3340 6.3340 8.4303 8.4303 8.4303 8.4303 10.4895 10.4895 10.4895 10.4895 11.0352 11.0352 k = 0.4896 0.4896 0.2929 ( 8806 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0712 -35.0712 -35.0712 -35.0712 -34.7877 -34.7877 -34.7877 -34.7877 -34.7789 -34.7789 -34.7789 -34.7789 -20.5611 -20.5611 -20.5610 -20.5610 -7.3346 -7.3346 -7.3344 -7.3344 -5.4732 -5.4732 -5.4601 -5.4601 -5.2623 -5.2623 -5.2485 -5.2485 0.0430 0.0430 0.0439 0.0439 4.3000 4.3000 4.3045 4.3045 5.4827 5.4827 5.4902 5.4902 6.3332 6.3332 6.3355 6.3355 8.4275 8.4275 8.4300 8.4300 10.4808 10.4808 10.4974 10.4974 11.0094 11.0094 k = 0.4792 0.4792 0.2929 ( 8786 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0712 -35.0712 -35.0712 -35.0712 -34.7877 -34.7877 -34.7877 -34.7877 -34.7789 -34.7789 -34.7789 -34.7789 -20.5612 -20.5612 -20.5609 -20.5609 -7.3347 -7.3347 -7.3339 -7.3339 -5.4791 -5.4791 -5.4530 -5.4530 -5.2692 -5.2692 -5.2417 -5.2417 0.0419 0.0419 0.0452 0.0452 4.2908 4.2908 4.3078 4.3078 5.4833 5.4833 5.5085 5.5085 6.3329 6.3329 6.3379 6.3379 8.4196 8.4196 8.4287 8.4287 10.4689 10.4689 10.5063 10.5063 10.9459 10.9459 k = 0.4688 0.4687 0.2929 ( 8796 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0713 -35.0713 -35.0712 -35.0712 -34.7877 -34.7877 -34.7877 -34.7877 -34.7790 -34.7790 -34.7789 -34.7789 -20.5615 -20.5615 -20.5609 -20.5609 -7.3349 -7.3349 -7.3332 -7.3332 -5.4847 -5.4847 -5.4455 -5.4455 -5.2761 -5.2761 -5.2349 -5.2349 0.0400 0.0400 0.0473 0.0473 4.2764 4.2764 4.3133 4.3133 5.4842 5.4842 5.5376 5.5376 6.3329 6.3329 6.3416 6.3416 8.4073 8.4073 8.4265 8.4265 10.4508 10.4508 10.5172 10.5172 10.8609 10.8609 k = 0.4583 0.4583 0.2929 ( 8798 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0713 -35.0713 -35.0712 -35.0712 -34.7877 -34.7877 -34.7876 -34.7876 -34.7790 -34.7790 -34.7789 -34.7789 -20.5619 -20.5619 -20.5607 -20.5607 -7.3351 -7.3351 -7.3321 -7.3321 -5.4897 -5.4897 -5.4378 -5.4378 -5.2830 -5.2830 -5.2282 -5.2282 0.0373 0.0373 0.0502 0.0502 4.2583 4.2583 4.3210 4.3210 5.4853 5.4853 5.5763 5.5763 6.3331 6.3331 6.3466 6.3466 8.3915 8.3915 8.4236 8.4236 10.4231 10.4231 10.5300 10.5300 10.7707 10.7707 k = 0.4479 0.4479 0.2929 ( 8794 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0713 -35.0713 -35.0711 -35.0711 -34.7877 -34.7877 -34.7875 -34.7875 -34.7791 -34.7791 -34.7789 -34.7789 -20.5625 -20.5625 -20.5606 -20.5606 -7.3354 -7.3354 -7.3308 -7.3308 -5.4943 -5.4943 -5.4298 -5.4298 -5.2899 -5.2899 -5.2216 -5.2216 0.0337 0.0337 0.0539 0.0539 4.2377 4.2377 4.3309 4.3309 5.4861 5.4861 5.6227 5.6227 6.3336 6.3336 6.3529 6.3529 8.3734 8.3734 8.4200 8.4200 10.3814 10.3814 10.5439 10.5439 10.6881 10.6881 k = 0.4375 0.4375 0.2929 ( 8806 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0714 -35.0714 -35.0711 -35.0711 -34.7877 -34.7877 -34.7875 -34.7875 -34.7792 -34.7792 -34.7789 -34.7789 -20.5631 -20.5631 -20.5604 -20.5604 -7.3358 -7.3358 -7.3291 -7.3291 -5.4984 -5.4984 -5.4216 -5.4216 -5.2966 -5.2966 -5.2150 -5.2150 0.0291 0.0291 0.0583 0.0583 4.2162 4.2162 4.3430 4.3430 5.4863 5.4863 5.6750 5.6750 6.3347 6.3347 6.3605 6.3605 8.3544 8.3544 8.4157 8.4157 10.3226 10.3226 10.5576 10.5576 10.6218 10.6218 k = 0.4271 0.4271 0.2929 ( 8806 PWs) bands (ev): -68.1306 -68.1306 -68.1305 -68.1305 -35.0714 -35.0714 -35.0711 -35.0711 -34.7877 -34.7877 -34.7874 -34.7874 -34.7793 -34.7793 -34.7789 -34.7789 -20.5638 -20.5638 -20.5602 -20.5602 -7.3362 -7.3362 -7.3271 -7.3271 -5.5019 -5.5019 -5.4132 -5.4132 -5.3033 -5.3033 -5.2086 -5.2086 0.0234 0.0234 0.0633 0.0633 4.1951 4.1951 4.3574 4.3574 5.4855 5.4855 5.7315 5.7315 6.3367 6.3367 6.3695 6.3695 8.3357 8.3357 8.4110 8.4110 10.2495 10.2495 10.5620 10.5620 10.5807 10.5807 k = 0.4167 0.4167 0.2929 ( 8804 PWs) bands (ev): -68.1306 -68.1306 -68.1305 -68.1305 -35.0714 -35.0714 -35.0710 -35.0710 -34.7876 -34.7876 -34.7873 -34.7873 -34.7794 -34.7794 -34.7789 -34.7789 -20.5647 -20.5647 -20.5599 -20.5599 -7.3366 -7.3366 -7.3249 -7.3249 -5.5049 -5.5049 -5.4046 -5.4046 -5.3098 -5.3098 -5.2024 -5.2024 0.0164 0.0164 0.0689 0.0689 4.1756 4.1756 4.3739 4.3739 5.4831 5.4831 5.7904 5.7904 6.3399 6.3399 6.3797 6.3797 8.3188 8.3188 8.4060 8.4060 10.1695 10.1695 10.5288 10.5288 10.5872 10.5872 k = 0.4062 0.4062 0.2929 ( 8808 PWs) bands (ev): -68.1306 -68.1306 -68.1305 -68.1305 -35.0715 -35.0715 -35.0710 -35.0710 -34.7876 -34.7876 -34.7872 -34.7872 -34.7796 -34.7796 -34.7788 -34.7788 -20.5656 -20.5656 -20.5597 -20.5597 -7.3371 -7.3371 -7.3224 -7.3224 -5.5073 -5.5073 -5.3960 -5.3960 -5.3161 -5.3161 -5.1962 -5.1962 0.0080 0.0080 0.0749 0.0749 4.1586 4.1586 4.3926 4.3926 5.4786 5.4786 5.8502 5.8502 6.3449 6.3449 6.3911 6.3911 8.3048 8.3048 8.4007 8.4007 10.0898 10.0898 10.4961 10.4961 10.5973 10.5973 k = 0.3958 0.3958 0.2929 ( 8808 PWs) bands (ev): -68.1307 -68.1307 -68.1305 -68.1305 -35.0715 -35.0715 -35.0709 -35.0709 -34.7876 -34.7876 -34.7871 -34.7871 -34.7797 -34.7797 -34.7788 -34.7788 -20.5667 -20.5667 -20.5593 -20.5593 -7.3377 -7.3377 -7.3195 -7.3195 -5.5092 -5.5092 -5.3873 -5.3873 -5.3222 -5.3222 -5.1902 -5.1902 -0.0018 -0.0018 0.0813 0.0813 4.1448 4.1448 4.4135 4.4135 5.4715 5.4715 5.9094 5.9094 6.3522 6.3522 6.4038 6.4038 8.2946 8.2946 8.3955 8.3955 10.0155 10.0155 10.4654 10.4654 10.6054 10.6054 k = 0.3854 0.3854 0.2929 ( 8824 PWs) bands (ev): -68.1307 -68.1307 -68.1305 -68.1305 -35.0716 -35.0716 -35.0708 -35.0708 -34.7876 -34.7876 -34.7870 -34.7870 -34.7799 -34.7799 -34.7788 -34.7788 -20.5678 -20.5678 -20.5590 -20.5590 -7.3382 -7.3382 -7.3164 -7.3164 -5.5105 -5.5105 -5.3787 -5.3787 -5.3278 -5.3278 -5.1844 -5.1844 -0.0131 -0.0131 0.0880 0.0880 4.1348 4.1348 4.4366 4.4366 5.4613 5.4613 5.9666 5.9666 6.3624 6.3624 6.4176 6.4176 8.2890 8.2890 8.3904 8.3904 9.9499 9.9499 10.4353 10.4353 10.6108 10.6108 k = 0.3750 0.3750 0.2929 ( 8818 PWs) bands (ev): -68.1307 -68.1307 -68.1305 -68.1305 -35.0717 -35.0717 -35.0707 -35.0707 -34.7876 -34.7876 -34.7869 -34.7869 -34.7801 -34.7801 -34.7788 -34.7788 -20.5690 -20.5690 -20.5587 -20.5587 -7.3388 -7.3388 -7.3131 -7.3131 -5.5113 -5.5113 -5.3707 -5.3707 -5.3327 -5.3327 -5.1788 -5.1788 -0.0261 -0.0261 0.0948 0.0948 4.1291 4.1291 4.4619 4.4619 5.4478 5.4478 6.0206 6.0206 6.3762 6.3762 6.4326 6.4326 8.2884 8.2884 8.3857 8.3857 9.8953 9.8953 10.4047 10.4047 10.6134 10.6134 k = 0.3646 0.3646 0.2929 ( 8822 PWs) bands (ev): -68.1307 -68.1307 -68.1305 -68.1305 -35.0717 -35.0717 -35.0707 -35.0707 -34.7875 -34.7875 -34.7867 -34.7867 -34.7803 -34.7803 -34.7787 -34.7787 -20.5703 -20.5703 -20.5583 -20.5583 -7.3394 -7.3394 -7.3095 -7.3095 -5.5114 -5.5114 -5.3640 -5.3640 -5.3359 -5.3359 -5.1733 -5.1733 -0.0409 -0.0409 0.1016 0.1016 4.1279 4.1279 4.4894 4.4894 5.4307 5.4307 6.0705 6.0705 6.3939 6.3939 6.4486 6.4486 8.2929 8.2929 8.3818 8.3818 9.8534 9.8534 10.3732 10.3732 10.6133 10.6133 k = 0.3542 0.3542 0.2929 ( 8818 PWs) bands (ev): -68.1307 -68.1307 -68.1305 -68.1305 -35.0718 -35.0718 -35.0706 -35.0706 -34.7875 -34.7875 -34.7866 -34.7866 -34.7805 -34.7805 -34.7787 -34.7787 -20.5717 -20.5717 -20.5579 -20.5579 -7.3401 -7.3401 -7.3056 -7.3056 -5.5110 -5.5110 -5.3605 -5.3605 -5.3357 -5.3357 -5.1681 -5.1681 -0.0573 -0.0573 0.1083 0.1083 4.1314 4.1314 4.5190 4.5190 5.4103 5.4103 6.1154 6.1154 6.4160 6.4160 6.4656 6.4656 8.3023 8.3023 8.3789 8.3789 9.8252 9.8252 10.3407 10.3407 10.6104 10.6104 k = 0.3438 0.3437 0.2929 ( 8816 PWs) bands (ev): -68.1307 -68.1307 -68.1304 -68.1304 -35.0719 -35.0719 -35.0705 -35.0705 -34.7875 -34.7875 -34.7864 -34.7864 -34.7807 -34.7807 -34.7787 -34.7787 -20.5731 -20.5731 -20.5575 -20.5575 -7.3407 -7.3407 -7.3014 -7.3014 -5.5100 -5.5100 -5.3612 -5.3612 -5.3309 -5.3309 -5.1630 -5.1630 -0.0755 -0.0755 0.1146 0.1146 4.1393 4.1393 4.5508 4.5508 5.3868 5.3868 6.1548 6.1548 6.4427 6.4427 6.4836 6.4836 8.3159 8.3159 8.3782 8.3782 9.8114 9.8114 10.3074 10.3074 10.6051 10.6051 k = 0.3333 0.3333 0.2929 ( 8800 PWs) bands (ev): -68.1307 -68.1307 -68.1304 -68.1304 -35.0720 -35.0720 -35.0704 -35.0704 -34.7874 -34.7874 -34.7863 -34.7863 -34.7809 -34.7809 -34.7786 -34.7786 -20.5747 -20.5747 -20.5570 -20.5570 -7.3413 -7.3413 -7.2971 -7.2971 -5.5084 -5.5084 -5.3644 -5.3644 -5.3234 -5.3234 -5.1582 -5.1582 -0.0954 -0.0954 0.1204 0.1204 4.1518 4.1518 4.5848 4.5848 5.3608 5.3608 6.1885 6.1885 6.4738 6.4738 6.5024 6.5024 8.3312 8.3312 8.3816 8.3816 9.8121 9.8121 10.2736 10.2736 10.5975 10.5975 k = 0.3229 0.3229 0.2929 ( 8804 PWs) bands (ev): -68.1308 -68.1308 -68.1304 -68.1304 -35.0721 -35.0721 -35.0703 -35.0703 -34.7874 -34.7874 -34.7862 -34.7862 -34.7811 -34.7811 -34.7786 -34.7786 -20.5762 -20.5762 -20.5566 -20.5566 -7.3419 -7.3419 -7.2925 -7.2925 -5.5062 -5.5062 -5.3685 -5.3685 -5.3147 -5.3147 -5.1536 -5.1536 -0.1169 -0.1169 0.1257 0.1257 4.1683 4.1683 4.6210 4.6210 5.3329 5.3329 6.2167 6.2167 6.5093 6.5093 6.5222 6.5222 8.3437 8.3437 8.3936 8.3936 9.8268 9.8268 10.2404 10.2404 10.5878 10.5878 k = 0.3125 0.3125 0.2929 ( 8800 PWs) bands (ev): -68.1308 -68.1308 -68.1304 -68.1304 -35.0721 -35.0721 -35.0702 -35.0702 -34.7873 -34.7873 -34.7860 -34.7860 -34.7814 -34.7814 -34.7785 -34.7785 -20.5779 -20.5779 -20.5561 -20.5561 -7.3425 -7.3425 -7.2877 -7.2877 -5.5036 -5.5036 -5.3729 -5.3729 -5.3055 -5.3055 -5.1493 -5.1493 -0.1400 -0.1400 0.1301 0.1301 4.1885 4.1885 4.6593 4.6593 5.3039 5.3039 6.2398 6.2398 6.5420 6.5420 6.5497 6.5497 8.3504 8.3504 8.4168 8.4168 9.8536 9.8536 10.2095 10.2095 10.5532 10.5532 k = 0.3021 0.3021 0.2929 ( 8800 PWs) bands (ev): -68.1308 -68.1308 -68.1304 -68.1304 -35.0722 -35.0722 -35.0701 -35.0701 -34.7873 -34.7873 -34.7859 -34.7859 -34.7816 -34.7816 -34.7784 -34.7784 -20.5795 -20.5795 -20.5556 -20.5556 -7.3431 -7.3431 -7.2827 -7.2827 -5.5004 -5.5004 -5.3772 -5.3772 -5.2961 -5.2961 -5.1452 -5.1452 -0.1645 -0.1645 0.1335 0.1335 4.2118 4.2118 4.6998 4.6998 5.2748 5.2748 6.2587 6.2587 6.5635 6.5635 6.5928 6.5928 8.3540 8.3540 8.4480 8.4480 9.8884 9.8884 10.1846 10.1846 10.5083 10.5083 k = 0.2917 0.2917 0.2929 ( 8796 PWs) bands (ev): -68.1308 -68.1308 -68.1303 -68.1303 -35.0723 -35.0723 -35.0699 -35.0699 -34.7873 -34.7873 -34.7857 -34.7857 -34.7818 -34.7818 -34.7784 -34.7784 -20.5812 -20.5812 -20.5551 -20.5551 -7.3436 -7.3436 -7.2776 -7.2776 -5.4967 -5.4967 -5.3813 -5.3813 -5.2866 -5.2866 -5.1413 -5.1413 -0.1904 -0.1904 0.1359 0.1359 4.2376 4.2376 4.7423 4.7423 5.2462 5.2462 6.2744 6.2744 6.5856 6.5856 6.6394 6.6394 8.3569 8.3569 8.4844 8.4844 9.9221 9.9221 10.1745 10.1745 10.4588 10.4588 k = 0.2812 0.2812 0.2929 ( 8786 PWs) bands (ev): -68.1308 -68.1308 -68.1303 -68.1303 -35.0724 -35.0724 -35.0698 -35.0698 -34.7872 -34.7872 -34.7855 -34.7855 -34.7821 -34.7821 -34.7783 -34.7783 -20.5830 -20.5830 -20.5546 -20.5546 -7.3441 -7.3441 -7.2723 -7.2723 -5.4925 -5.4925 -5.3853 -5.3853 -5.2771 -5.2771 -5.1377 -5.1377 -0.2173 -0.2173 0.1370 0.1370 4.2650 4.2650 4.7871 4.7871 5.2191 5.2191 6.2885 6.2885 6.6083 6.6083 6.6889 6.6889 8.3599 8.3599 8.5243 8.5243 9.9396 9.9396 10.1931 10.1931 10.4036 10.4036 k = 0.2708 0.2708 0.2929 ( 8788 PWs) bands (ev): -68.1309 -68.1309 -68.1303 -68.1303 -35.0725 -35.0725 -35.0697 -35.0697 -34.7872 -34.7872 -34.7854 -34.7854 -34.7823 -34.7823 -34.7782 -34.7782 -20.5847 -20.5847 -20.5541 -20.5541 -7.3446 -7.3446 -7.2669 -7.2669 -5.4880 -5.4880 -5.3890 -5.3890 -5.2676 -5.2676 -5.1343 -5.1343 -0.2453 -0.2453 0.1367 0.1367 4.2932 4.2932 4.8339 4.8339 5.1942 5.1942 6.3023 6.3023 6.6317 6.6317 6.7404 6.7404 8.3636 8.3636 8.5667 8.5667 9.9329 9.9329 10.2474 10.2474 10.3419 10.3419 k = 0.2604 0.2604 0.2929 ( 8784 PWs) bands (ev): -68.1309 -68.1309 -68.1303 -68.1303 -35.0726 -35.0726 -35.0696 -35.0696 -34.7871 -34.7871 -34.7853 -34.7853 -34.7826 -34.7826 -34.7781 -34.7781 -20.5865 -20.5865 -20.5536 -20.5536 -7.3450 -7.3450 -7.2613 -7.2613 -5.4830 -5.4830 -5.3923 -5.3923 -5.2581 -5.2581 -5.1312 -5.1312 -0.2740 -0.2740 0.1350 0.1350 4.3212 4.3212 4.8827 4.8827 5.1722 5.1722 6.3176 6.3176 6.6559 6.6559 6.7934 6.7934 8.3678 8.3678 8.6110 8.6110 9.9090 9.9090 10.2690 10.2690 10.3322 10.3322 k = 0.2500 0.2500 0.2929 ( 8776 PWs) bands (ev): -68.1309 -68.1309 -68.1303 -68.1303 -35.0727 -35.0727 -35.0695 -35.0695 -34.7871 -34.7871 -34.7851 -34.7851 -34.7828 -34.7828 -34.7780 -34.7780 -20.5883 -20.5883 -20.5531 -20.5531 -7.3454 -7.3454 -7.2557 -7.2557 -5.4778 -5.4778 -5.3953 -5.3953 -5.2488 -5.2488 -5.1282 -5.1282 -0.3034 -0.3034 0.1316 0.1316 4.3481 4.3481 4.9337 4.9337 5.1538 5.1538 6.3360 6.3360 6.6807 6.6807 6.8471 6.8471 8.3726 8.3726 8.6566 8.6566 9.8767 9.8767 10.1910 10.1910 10.4294 10.4294 k = 0.2396 0.2396 0.2929 ( 8788 PWs) bands (ev): -68.1309 -68.1309 -68.1302 -68.1302 -35.0728 -35.0728 -35.0694 -35.0694 -34.7871 -34.7871 -34.7850 -34.7850 -34.7831 -34.7831 -34.7779 -34.7779 -20.5901 -20.5901 -20.5526 -20.5526 -7.3457 -7.3457 -7.2500 -7.2500 -5.4723 -5.4723 -5.3979 -5.3979 -5.2397 -5.2397 -5.1255 -5.1255 -0.3331 -0.3331 0.1267 0.1267 4.3728 4.3728 4.9866 4.9866 5.1395 5.1395 6.3590 6.3590 6.7062 6.7062 6.9004 6.9004 8.3776 8.3776 8.7029 8.7029 9.8405 9.8405 10.1030 10.1030 10.4509 10.4509 k = 0.2292 0.2292 0.2929 ( 8800 PWs) bands (ev): -68.1310 -68.1310 -68.1302 -68.1302 -35.0729 -35.0729 -35.0693 -35.0693 -34.7870 -34.7870 -34.7849 -34.7849 -34.7834 -34.7834 -34.7778 -34.7778 -20.5918 -20.5918 -20.5521 -20.5521 -7.3459 -7.3459 -7.2443 -7.2443 -5.4667 -5.4667 -5.4000 -5.4000 -5.2309 -5.2309 -5.1228 -5.1228 -0.3631 -0.3631 0.1201 0.1201 4.3946 4.3946 5.0415 5.0415 5.1299 5.1299 6.3881 6.3881 6.7324 6.7324 6.9524 6.9524 8.3827 8.3827 8.7497 8.7497 9.8027 9.8027 10.0065 10.0065 10.4138 10.4138 k = 0.2188 0.2187 0.2929 ( 8810 PWs) bands (ev): -68.1310 -68.1310 -68.1302 -68.1302 -35.0730 -35.0730 -35.0692 -35.0692 -34.7870 -34.7870 -34.7848 -34.7848 -34.7837 -34.7837 -34.7777 -34.7777 -20.5936 -20.5936 -20.5516 -20.5516 -7.3461 -7.3461 -7.2385 -7.2385 -5.4611 -5.4611 -5.4015 -5.4015 -5.2225 -5.2225 -5.1202 -5.1202 -0.3930 -0.3930 0.1118 0.1118 4.4126 4.4126 5.0978 5.0978 5.1258 5.1258 6.4244 6.4244 6.7593 6.7593 7.0020 7.0020 8.3873 8.3873 8.7968 8.7968 9.7643 9.7643 9.9026 9.9026 10.3382 10.3382 k = 0.2083 0.2083 0.2929 ( 8804 PWs) bands (ev): -68.1310 -68.1310 -68.1302 -68.1302 -35.0731 -35.0731 -35.0691 -35.0691 -34.7869 -34.7869 -34.7847 -34.7847 -34.7839 -34.7839 -34.7776 -34.7776 -20.5953 -20.5953 -20.5511 -20.5511 -7.3462 -7.3462 -7.2328 -7.2328 -5.4557 -5.4557 -5.4023 -5.4023 -5.2146 -5.2146 -5.1176 -5.1176 -0.4228 -0.4228 0.1020 0.1020 4.4265 4.4265 5.1246 5.1246 5.1584 5.1584 6.4686 6.4686 6.7870 6.7870 7.0477 7.0477 8.3910 8.3910 8.8443 8.8443 9.7245 9.7245 9.7939 9.7939 10.2513 10.2513 k = 0.1979 0.1979 0.2929 ( 8802 PWs) bands (ev): -68.1310 -68.1310 -68.1302 -68.1302 -35.0732 -35.0732 -35.0690 -35.0690 -34.7869 -34.7869 -34.7846 -34.7846 -34.7841 -34.7841 -34.7774 -34.7774 -20.5971 -20.5971 -20.5506 -20.5506 -7.3463 -7.3463 -7.2271 -7.2271 -5.4508 -5.4508 -5.4020 -5.4020 -5.2074 -5.2074 -5.1149 -5.1149 -0.4522 -0.4522 0.0907 0.0907 4.4359 4.4359 5.1312 5.1312 5.2187 5.2187 6.5213 6.5213 6.8156 6.8156 7.0883 7.0883 8.3932 8.3932 8.8925 8.8925 9.6618 9.6618 9.7042 9.7042 10.1678 10.1678 k = 0.1875 0.1875 0.2929 ( 8806 PWs) bands (ev): -68.1310 -68.1310 -68.1301 -68.1301 -35.0733 -35.0733 -35.0688 -35.0688 -34.7869 -34.7869 -34.7845 -34.7845 -34.7844 -34.7844 -34.7773 -34.7773 -20.5987 -20.5987 -20.5501 -20.5501 -7.3464 -7.3464 -7.2215 -7.2215 -5.4466 -5.4466 -5.4006 -5.4006 -5.2009 -5.2009 -5.1119 -5.1119 -0.4810 -0.4810 0.0780 0.0780 4.4407 4.4407 5.1431 5.1431 5.2810 5.2810 6.5823 6.5823 6.8451 6.8451 7.1223 7.1223 8.3933 8.3933 8.9416 8.9416 9.5486 9.5486 9.6626 9.6626 10.0901 10.0901 k = 0.1771 0.1771 0.2929 ( 8810 PWs) bands (ev): -68.1311 -68.1311 -68.1301 -68.1301 -35.0734 -35.0734 -35.0687 -35.0687 -34.7869 -34.7869 -34.7846 -34.7846 -34.7844 -34.7844 -34.7772 -34.7772 -20.6003 -20.6003 -20.5496 -20.5496 -7.3463 -7.3463 -7.2159 -7.2159 -5.4433 -5.4433 -5.3978 -5.3978 -5.1955 -5.1955 -5.1085 -5.1085 -0.5092 -0.5092 0.0640 0.0640 4.4413 4.4413 5.1608 5.1608 5.3452 5.3452 6.6513 6.6513 6.8757 6.8757 7.1481 7.1481 8.3906 8.3906 8.9924 8.9924 9.4266 9.4266 9.6293 9.6293 10.0195 10.0195 k = 0.1667 0.1667 0.2929 ( 8802 PWs) bands (ev): -68.1311 -68.1311 -68.1301 -68.1301 -35.0735 -35.0735 -35.0686 -35.0686 -34.7868 -34.7868 -34.7848 -34.7848 -34.7844 -34.7844 -34.7770 -34.7770 -20.6019 -20.6019 -20.5492 -20.5492 -7.3463 -7.3463 -7.2105 -7.2105 -5.4410 -5.4410 -5.3936 -5.3936 -5.1911 -5.1911 -5.1047 -5.1047 -0.5365 -0.5365 0.0490 0.0490 4.4380 4.4380 5.1842 5.1842 5.4109 5.4109 6.7273 6.7273 6.9081 6.9081 7.1646 7.1646 8.3844 8.3844 9.0451 9.0451 9.3025 9.3025 9.5994 9.5994 9.9566 9.9566 k = 0.1562 0.1562 0.2929 ( 8818 PWs) bands (ev): -68.1311 -68.1311 -68.1301 -68.1301 -35.0736 -35.0736 -35.0686 -35.0686 -34.7868 -34.7868 -34.7850 -34.7850 -34.7843 -34.7843 -34.7769 -34.7769 -20.6034 -20.6034 -20.5488 -20.5488 -7.3462 -7.3462 -7.2053 -7.2053 -5.4396 -5.4396 -5.3882 -5.3882 -5.1880 -5.1880 -5.1003 -5.1003 -0.5628 -0.5628 0.0331 0.0331 4.4313 4.4313 5.2135 5.2135 5.4781 5.4781 6.8081 6.8081 6.9434 6.9434 7.1705 7.1705 8.3740 8.3740 9.0991 9.0991 9.1787 9.1787 9.5728 9.5728 9.9022 9.9022 k = 0.1458 0.1458 0.2929 ( 8814 PWs) bands (ev): -68.1311 -68.1311 -68.1301 -68.1301 -35.0737 -35.0737 -35.0685 -35.0685 -34.7868 -34.7868 -34.7852 -34.7852 -34.7842 -34.7842 -34.7768 -34.7768 -20.6049 -20.6049 -20.5484 -20.5484 -7.3460 -7.3460 -7.2002 -7.2002 -5.4389 -5.4389 -5.3818 -5.3818 -5.1860 -5.1860 -5.0954 -5.0954 -0.5879 -0.5879 0.0166 0.0166 4.4217 4.4217 5.2484 5.2484 5.5465 5.5465 6.8889 6.8889 6.9855 6.9855 7.1653 7.1653 8.3591 8.3591 9.0501 9.0501 9.1606 9.1606 9.5499 9.5499 9.8566 9.8566 k = 0.1354 0.1354 0.2929 ( 8810 PWs) bands (ev): -68.1311 -68.1311 -68.1301 -68.1301 -35.0737 -35.0737 -35.0684 -35.0684 -34.7868 -34.7868 -34.7854 -34.7854 -34.7842 -34.7842 -34.7767 -34.7767 -20.6063 -20.6063 -20.5480 -20.5480 -7.3458 -7.3458 -7.1954 -7.1954 -5.4386 -5.4386 -5.3747 -5.3747 -5.1853 -5.1853 -5.0901 -5.0901 -0.6118 -0.6118 -0.0003 -0.0003 4.4100 4.4100 5.2890 5.2890 5.6160 5.6160 6.9576 6.9576 7.0452 7.0452 7.1487 7.1487 8.3394 8.3394 8.9270 8.9270 9.2196 9.2196 9.5312 9.5312 9.8200 9.8200 k = 0.1250 0.1250 0.2929 ( 8818 PWs) bands (ev): -68.1311 -68.1311 -68.1300 -68.1300 -35.0738 -35.0738 -35.0683 -35.0683 -34.7868 -34.7868 -34.7856 -34.7856 -34.7842 -34.7842 -34.7765 -34.7765 -20.6076 -20.6076 -20.5476 -20.5476 -7.3456 -7.3456 -7.1907 -7.1907 -5.4386 -5.4386 -5.3671 -5.3671 -5.1856 -5.1856 -5.0845 -5.0845 -0.6344 -0.6344 -0.0173 -0.0173 4.3968 4.3968 5.3349 5.3349 5.6863 5.6863 7.0070 7.0070 7.1171 7.1171 7.1318 7.1318 8.3149 8.3149 8.8050 8.8050 9.2798 9.2798 9.5172 9.5172 9.7924 9.7924 k = 0.1146 0.1146 0.2929 ( 8832 PWs) bands (ev): -68.1312 -68.1312 -68.1300 -68.1300 -35.0739 -35.0739 -35.0683 -35.0683 -34.7868 -34.7868 -34.7857 -34.7857 -34.7841 -34.7841 -34.7764 -34.7764 -20.6088 -20.6088 -20.5473 -20.5473 -7.3454 -7.3454 -7.1864 -7.1864 -5.4387 -5.4387 -5.3592 -5.3592 -5.1869 -5.1869 -5.0788 -5.0788 -0.6554 -0.6554 -0.0342 -0.0342 4.3825 4.3825 5.3860 5.3860 5.7571 5.7571 7.0462 7.0462 7.0819 7.0819 7.2238 7.2238 8.2859 8.2859 8.6856 8.6856 9.3385 9.3385 9.5086 9.5086 9.7731 9.7731 k = 0.1042 0.1042 0.2929 ( 8830 PWs) bands (ev): -68.1312 -68.1312 -68.1300 -68.1300 -35.0740 -35.0740 -35.0682 -35.0682 -34.7868 -34.7868 -34.7859 -34.7859 -34.7841 -34.7841 -34.7763 -34.7763 -20.6099 -20.6099 -20.5469 -20.5469 -7.3452 -7.3452 -7.1823 -7.1823 -5.4389 -5.4389 -5.3510 -5.3510 -5.1891 -5.1891 -5.0730 -5.0730 -0.6749 -0.6749 -0.0506 -0.0506 4.3679 4.3679 5.4421 5.4421 5.8279 5.8279 7.0305 7.0305 7.0860 7.0860 7.3221 7.3221 8.2531 8.2531 8.5694 8.5694 9.3929 9.3929 9.5060 9.5060 9.7614 9.7614 k = 0.0938 0.0937 0.2929 ( 8830 PWs) bands (ev): -68.1312 -68.1312 -68.1300 -68.1300 -35.0740 -35.0740 -35.0681 -35.0681 -34.7868 -34.7868 -34.7860 -34.7860 -34.7841 -34.7841 -34.7762 -34.7762 -20.6109 -20.6109 -20.5467 -20.5467 -7.3450 -7.3450 -7.1786 -7.1786 -5.4392 -5.4392 -5.3429 -5.3429 -5.1920 -5.1920 -5.0673 -5.0673 -0.6928 -0.6928 -0.0665 -0.0665 4.3533 4.3533 5.5029 5.5029 5.8981 5.8981 6.9732 6.9732 7.1217 7.1217 7.4199 7.4199 8.2174 8.2174 8.4574 8.4574 9.4401 9.4401 9.5102 9.5102 9.7561 9.7561 k = 0.0833 0.0833 0.2929 ( 8834 PWs) bands (ev): -68.1312 -68.1312 -68.1300 -68.1300 -35.0741 -35.0741 -35.0681 -35.0681 -34.7869 -34.7869 -34.7860 -34.7860 -34.7840 -34.7840 -34.7761 -34.7761 -20.6119 -20.6119 -20.5464 -20.5464 -7.3447 -7.3447 -7.1751 -7.1751 -5.4395 -5.4395 -5.3347 -5.3347 -5.1956 -5.1956 -5.0619 -5.0619 -0.7090 -0.7090 -0.0814 -0.0814 4.3392 4.3392 5.5681 5.5681 5.9671 5.9671 6.9078 6.9078 7.1573 7.1573 7.5143 7.5143 8.1799 8.1799 8.3505 8.3505 9.4778 9.4778 9.5219 9.5219 9.7562 9.7562 k = 0.0729 0.0729 0.2929 ( 8822 PWs) bands (ev): -68.1312 -68.1312 -68.1300 -68.1300 -35.0741 -35.0741 -35.0680 -35.0680 -34.7869 -34.7869 -34.7861 -34.7861 -34.7840 -34.7840 -34.7760 -34.7760 -20.6127 -20.6127 -20.5462 -20.5462 -7.3445 -7.3445 -7.1721 -7.1721 -5.4397 -5.4397 -5.3267 -5.3267 -5.1996 -5.1996 -5.0569 -5.0569 -0.7233 -0.7233 -0.0952 -0.0952 4.3260 4.3260 5.6372 5.6372 6.0339 6.0339 6.8362 6.8362 7.1924 7.1924 7.6024 7.6024 8.1420 8.1420 8.2498 8.2498 9.5050 9.5050 9.5422 9.5422 9.7604 9.7604 k = 0.0625 0.0625 0.2929 ( 8822 PWs) bands (ev): -68.1312 -68.1312 -68.1300 -68.1300 -35.0742 -35.0742 -35.0680 -35.0680 -34.7869 -34.7869 -34.7861 -34.7861 -34.7840 -34.7840 -34.7760 -34.7760 -20.6135 -20.6135 -20.5459 -20.5459 -7.3443 -7.3443 -7.1694 -7.1694 -5.4399 -5.4399 -5.3189 -5.3189 -5.2039 -5.2039 -5.0523 -5.0523 -0.7359 -0.7359 -0.1076 -0.1076 4.3139 4.3139 5.7099 5.7099 6.0974 6.0974 6.7596 6.7596 7.2266 7.2266 7.6815 7.6815 8.1055 8.1055 8.1567 8.1567 9.5228 9.5228 9.5714 9.5714 9.7677 9.7677 k = 0.0521 0.0521 0.2929 ( 8814 PWs) bands (ev): -68.1312 -68.1312 -68.1300 -68.1300 -35.0742 -35.0742 -35.0679 -35.0679 -34.7870 -34.7870 -34.7861 -34.7861 -34.7840 -34.7840 -34.7759 -34.7759 -20.6141 -20.6141 -20.5458 -20.5458 -7.3441 -7.3441 -7.1670 -7.1670 -5.4401 -5.4401 -5.3116 -5.3116 -5.2084 -5.2084 -5.0483 -5.0483 -0.7466 -0.7466 -0.1185 -0.1185 4.3033 4.3033 5.7857 5.7857 6.1559 6.1559 6.6795 6.6795 7.2591 7.2591 7.7485 7.7485 8.0669 8.0669 8.0788 8.0788 9.5340 9.5340 9.6073 9.6073 9.7775 9.7775 k = 0.0417 0.0417 0.2929 ( 8810 PWs) bands (ev): -68.1312 -68.1312 -68.1300 -68.1300 -35.0742 -35.0742 -35.0679 -35.0679 -34.7870 -34.7870 -34.7862 -34.7862 -34.7839 -34.7839 -34.7758 -34.7758 -20.6146 -20.6146 -20.5456 -20.5456 -7.3440 -7.3440 -7.1651 -7.1651 -5.4403 -5.4403 -5.3048 -5.3048 -5.2128 -5.2128 -5.0450 -5.0450 -0.7554 -0.7554 -0.1276 -0.1276 4.2943 4.2943 5.8638 5.8638 6.2074 6.2074 6.5977 6.5977 7.2891 7.2891 7.7999 7.7999 7.9974 7.9974 8.0497 8.0497 9.5410 9.5410 9.6474 9.6474 9.7893 9.7893 k = 0.0312 0.0312 0.2929 ( 8802 PWs) bands (ev): -68.1312 -68.1312 -68.1299 -68.1299 -35.0742 -35.0742 -35.0679 -35.0679 -34.7870 -34.7870 -34.7862 -34.7862 -34.7839 -34.7839 -34.7758 -34.7758 -20.6150 -20.6150 -20.5455 -20.5455 -7.3438 -7.3438 -7.1636 -7.1636 -5.4404 -5.4404 -5.2988 -5.2988 -5.2170 -5.2170 -5.0423 -5.0423 -0.7623 -0.7623 -0.1349 -0.1349 4.2871 4.2871 5.9432 5.9432 6.2491 6.2491 6.5165 6.5165 7.3151 7.3151 7.8328 7.8328 7.9371 7.9371 8.0350 8.0350 9.5450 9.5450 9.6870 9.6870 9.8036 9.8036 k = 0.0208 0.0208 0.2929 ( 8800 PWs) bands (ev): -68.1312 -68.1312 -68.1299 -68.1299 -35.0742 -35.0742 -35.0679 -35.0679 -34.7871 -34.7871 -34.7862 -34.7862 -34.7839 -34.7839 -34.7758 -34.7758 -20.6153 -20.6153 -20.5454 -20.5454 -7.3438 -7.3438 -7.1625 -7.1625 -5.4405 -5.4405 -5.2941 -5.2941 -5.2204 -5.2204 -5.0404 -5.0404 -0.7672 -0.7672 -0.1401 -0.1401 4.2819 4.2819 6.0219 6.0219 6.2759 6.2759 6.4416 6.4416 7.3356 7.3356 7.8480 7.8480 7.8917 7.8917 8.0314 8.0314 9.5472 9.5472 9.7191 9.7191 9.8207 9.8207 k = 0.0104 0.0104 0.2929 ( 8816 PWs) bands (ev): -68.1312 -68.1312 -68.1299 -68.1299 -35.0743 -35.0743 -35.0679 -35.0679 -34.7871 -34.7871 -34.7862 -34.7862 -34.7839 -34.7839 -34.7758 -34.7758 -20.6155 -20.6155 -20.5454 -20.5454 -7.3437 -7.3437 -7.1619 -7.1619 -5.4405 -5.4405 -5.2910 -5.2910 -5.2228 -5.2228 -5.0392 -5.0392 -0.7702 -0.7702 -0.1433 -0.1433 4.2788 4.2788 6.0933 6.0933 6.2768 6.2768 6.3882 6.3882 7.3489 7.3489 7.8520 7.8520 7.8634 7.8634 8.0334 8.0334 9.5482 9.5482 9.7383 9.7383 9.8371 9.8371 k = 0.0000 0.0000 0.2929 ( 8820 PWs) bands (ev): -68.1313 -68.1313 -68.1299 -68.1299 -35.0743 -35.0743 -35.0679 -35.0679 -34.7871 -34.7871 -34.7862 -34.7862 -34.7840 -34.7840 -34.7758 -34.7758 -20.6155 -20.6155 -20.5454 -20.5454 -7.3437 -7.3437 -7.1617 -7.1617 -5.4405 -5.4405 -5.2899 -5.2899 -5.2236 -5.2236 -5.0388 -5.0388 -0.7712 -0.7712 -0.1444 -0.1444 4.2777 4.2777 6.1306 6.1306 6.2616 6.2616 6.3727 6.3727 7.3535 7.3535 7.8524 7.8524 7.8538 7.8538 8.0349 8.0349 9.5485 9.5485 9.7444 9.7444 9.8442 9.8442 k = 0.0000 0.5000-0.0000 ( 8826 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0711 -35.0711 -35.0711 -35.0711 -34.7851 -34.7851 -34.7851 -34.7851 -34.7815 -34.7815 -34.7815 -34.7815 -20.5706 -20.5706 -20.5706 -20.5706 -7.3105 -7.3105 -7.3105 -7.3105 -5.4637 -5.4637 -5.4637 -5.4637 -5.1623 -5.1623 -5.1623 -5.1623 -0.0228 -0.0228 -0.0228 -0.0228 4.4785 4.4785 4.4785 4.4785 6.2009 6.2009 6.2009 6.2009 6.6950 6.6950 6.6950 6.6950 8.9182 8.9182 8.9182 8.9182 9.0903 9.0903 9.0903 9.0903 9.2740 9.2740 k = 0.0000 0.5000 0.0146 ( 8818 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0711 -35.0711 -35.0711 -35.0711 -34.7851 -34.7851 -34.7851 -34.7851 -34.7815 -34.7815 -34.7815 -34.7815 -20.5706 -20.5706 -20.5706 -20.5706 -7.3105 -7.3105 -7.3105 -7.3105 -5.4638 -5.4638 -5.4638 -5.4638 -5.1622 -5.1622 -5.1622 -5.1622 -0.0225 -0.0225 -0.0225 -0.0225 4.4759 4.4759 4.4759 4.4759 6.2032 6.2032 6.2032 6.2032 6.6944 6.6944 6.6944 6.6944 8.8877 8.8877 8.8877 8.8877 9.1242 9.1242 9.1242 9.1242 9.2781 9.2781 k = 0.0000 0.5000 0.0293 ( 8818 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0711 -35.0711 -35.0711 -35.0711 -34.7851 -34.7851 -34.7851 -34.7851 -34.7815 -34.7815 -34.7815 -34.7815 -20.5706 -20.5706 -20.5706 -20.5706 -7.3105 -7.3105 -7.3105 -7.3105 -5.4640 -5.4640 -5.4640 -5.4640 -5.1619 -5.1619 -5.1619 -5.1619 -0.0214 -0.0214 -0.0214 -0.0214 4.4681 4.4681 4.4681 4.4681 6.2099 6.2099 6.2099 6.2099 6.6923 6.6923 6.6923 6.6923 8.8282 8.8282 8.8282 8.8282 9.1930 9.1930 9.1930 9.1930 9.2909 9.2909 k = 0.0000 0.5000 0.0439 ( 8820 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0711 -35.0711 -35.0711 -35.0711 -34.7851 -34.7851 -34.7851 -34.7851 -34.7815 -34.7815 -34.7815 -34.7815 -20.5706 -20.5706 -20.5706 -20.5706 -7.3106 -7.3106 -7.3106 -7.3106 -5.4643 -5.4643 -5.4643 -5.4643 -5.1615 -5.1615 -5.1615 -5.1615 -0.0197 -0.0197 -0.0197 -0.0197 4.4556 4.4556 4.4556 4.4556 6.2207 6.2207 6.2207 6.2207 6.6890 6.6890 6.6890 6.6890 8.7649 8.7649 8.7649 8.7649 9.2667 9.2667 9.2667 9.2667 9.3164 9.3164 k = 0.0000 0.5000 0.0586 ( 8840 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0711 -35.0711 -35.0711 -35.0711 -34.7851 -34.7851 -34.7851 -34.7851 -34.7815 -34.7815 -34.7815 -34.7815 -20.5706 -20.5706 -20.5706 -20.5706 -7.3107 -7.3107 -7.3107 -7.3107 -5.4648 -5.4648 -5.4648 -5.4648 -5.1609 -5.1609 -5.1609 -5.1609 -0.0173 -0.0173 -0.0173 -0.0173 4.4386 4.4386 4.4386 4.4386 6.2350 6.2350 6.2350 6.2350 6.6845 6.6845 6.6845 6.6845 8.7046 8.7046 8.7046 8.7046 9.3190 9.3190 9.3190 9.3190 9.3728 9.3728 k = 0.0000 0.5000 0.0732 ( 8838 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0711 -35.0711 -35.0711 -35.0711 -34.7851 -34.7851 -34.7851 -34.7851 -34.7815 -34.7815 -34.7815 -34.7815 -20.5706 -20.5706 -20.5706 -20.5706 -7.3108 -7.3108 -7.3108 -7.3108 -5.4653 -5.4653 -5.4653 -5.4653 -5.1603 -5.1603 -5.1603 -5.1603 -0.0143 -0.0143 -0.0143 -0.0143 4.4180 4.4180 4.4180 4.4180 6.2523 6.2523 6.2523 6.2523 6.6790 6.6790 6.6790 6.6790 8.6493 8.6493 8.6493 8.6493 9.3567 9.3567 9.3567 9.3567 9.4493 9.4493 k = 0.0000 0.5000 0.0879 ( 8812 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0711 -35.0711 -35.0711 -35.0711 -34.7851 -34.7851 -34.7851 -34.7851 -34.7815 -34.7815 -34.7815 -34.7815 -20.5706 -20.5706 -20.5706 -20.5706 -7.3109 -7.3109 -7.3109 -7.3109 -5.4660 -5.4660 -5.4660 -5.4660 -5.1594 -5.1594 -5.1594 -5.1594 -0.0108 -0.0108 -0.0108 -0.0108 4.3944 4.3944 4.3944 4.3944 6.2716 6.2716 6.2716 6.2716 6.6726 6.6726 6.6726 6.6726 8.6000 8.6000 8.6000 8.6000 9.3974 9.3974 9.3974 9.3974 9.5246 9.5246 k = 0.0000 0.5000 0.1025 ( 8816 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0711 -35.0711 -35.0711 -35.0711 -34.7851 -34.7851 -34.7851 -34.7851 -34.7815 -34.7815 -34.7815 -34.7815 -20.5706 -20.5706 -20.5706 -20.5706 -7.3111 -7.3111 -7.3111 -7.3111 -5.4667 -5.4667 -5.4667 -5.4667 -5.1585 -5.1585 -5.1585 -5.1585 -0.0069 -0.0069 -0.0069 -0.0069 4.3685 4.3685 4.3685 4.3685 6.2923 6.2923 6.2923 6.2923 6.6655 6.6655 6.6655 6.6655 8.5574 8.5574 8.5574 8.5574 9.4436 9.4436 9.4436 9.4436 9.5926 9.5926 k = 0.0000 0.5000 0.1172 ( 8804 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0711 -35.0711 -35.0711 -35.0711 -34.7851 -34.7851 -34.7851 -34.7851 -34.7815 -34.7815 -34.7815 -34.7815 -20.5706 -20.5706 -20.5706 -20.5706 -7.3113 -7.3113 -7.3113 -7.3113 -5.4674 -5.4674 -5.4674 -5.4674 -5.1576 -5.1576 -5.1576 -5.1576 -0.0026 -0.0026 -0.0026 -0.0026 4.3411 4.3411 4.3411 4.3411 6.3136 6.3136 6.3136 6.3136 6.6580 6.6580 6.6580 6.6580 8.5216 8.5216 8.5216 8.5216 9.4956 9.4956 9.4956 9.4956 9.6499 9.6499 k = 0.0000 0.5000 0.1318 ( 8822 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0711 -35.0711 -35.0711 -35.0711 -34.7851 -34.7851 -34.7851 -34.7851 -34.7815 -34.7815 -34.7815 -34.7815 -20.5706 -20.5706 -20.5706 -20.5706 -7.3115 -7.3115 -7.3115 -7.3115 -5.4682 -5.4682 -5.4682 -5.4682 -5.1566 -5.1566 -5.1566 -5.1566 0.0019 0.0019 0.0019 0.0019 4.3130 4.3130 4.3130 4.3130 6.3347 6.3347 6.3347 6.3347 6.6502 6.6502 6.6502 6.6502 8.4926 8.4926 8.4926 8.4926 9.5530 9.5530 9.5530 9.5530 9.6942 9.6942 k = 0.0000 0.5000 0.1465 ( 8830 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0711 -35.0711 -35.0711 -35.0711 -34.7851 -34.7851 -34.7851 -34.7851 -34.7815 -34.7815 -34.7815 -34.7815 -20.5706 -20.5706 -20.5706 -20.5706 -7.3116 -7.3116 -7.3116 -7.3116 -5.4691 -5.4691 -5.4691 -5.4691 -5.1555 -5.1555 -5.1555 -5.1555 0.0065 0.0065 0.0065 0.0065 4.2848 4.2848 4.2848 4.2848 6.3550 6.3550 6.3550 6.3550 6.6424 6.6424 6.6424 6.6424 8.4704 8.4704 8.4704 8.4704 9.6151 9.6151 9.6151 9.6151 9.7248 9.7248 k = 0.0000 0.5000 0.1611 ( 8818 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0711 -35.0711 -35.0711 -35.0711 -34.7851 -34.7851 -34.7851 -34.7851 -34.7815 -34.7815 -34.7815 -34.7815 -20.5706 -20.5706 -20.5706 -20.5706 -7.3118 -7.3118 -7.3118 -7.3118 -5.4699 -5.4699 -5.4699 -5.4699 -5.1545 -5.1545 -5.1545 -5.1545 0.0112 0.0112 0.0112 0.0112 4.2573 4.2573 4.2573 4.2573 6.3740 6.3740 6.3740 6.3740 6.6348 6.6348 6.6348 6.6348 8.4545 8.4545 8.4545 8.4545 9.6798 9.6798 9.6798 9.6798 9.7443 9.7443 k = 0.0000 0.5000 0.1758 ( 8820 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0711 -35.0711 -35.0711 -35.0711 -34.7851 -34.7851 -34.7851 -34.7851 -34.7815 -34.7815 -34.7815 -34.7815 -20.5706 -20.5706 -20.5706 -20.5706 -7.3120 -7.3120 -7.3120 -7.3120 -5.4707 -5.4707 -5.4707 -5.4707 -5.1535 -5.1535 -5.1535 -5.1535 0.0158 0.0158 0.0158 0.0158 4.2310 4.2310 4.2310 4.2310 6.3913 6.3913 6.3913 6.3913 6.6275 6.6275 6.6275 6.6275 8.4444 8.4444 8.4444 8.4444 9.7275 9.7275 9.7275 9.7275 9.7735 9.7735 k = 0.0000 0.5000 0.1904 ( 8806 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0711 -35.0711 -35.0711 -35.0711 -34.7851 -34.7851 -34.7851 -34.7851 -34.7815 -34.7815 -34.7815 -34.7815 -20.5706 -20.5706 -20.5706 -20.5706 -7.3122 -7.3122 -7.3122 -7.3122 -5.4714 -5.4714 -5.4714 -5.4714 -5.1525 -5.1525 -5.1525 -5.1525 0.0202 0.0202 0.0202 0.0202 4.2065 4.2065 4.2065 4.2065 6.4066 6.4066 6.4066 6.4066 6.6208 6.6208 6.6208 6.6208 8.4393 8.4393 8.4393 8.4393 9.7315 9.7315 9.7315 9.7315 9.8411 9.8411 k = 0.0000 0.5000 0.2051 ( 8798 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0711 -35.0711 -35.0711 -35.0711 -34.7851 -34.7851 -34.7851 -34.7851 -34.7815 -34.7815 -34.7815 -34.7815 -20.5706 -20.5706 -20.5706 -20.5706 -7.3123 -7.3123 -7.3123 -7.3123 -5.4721 -5.4721 -5.4721 -5.4721 -5.1517 -5.1517 -5.1517 -5.1517 0.0242 0.0242 0.0242 0.0242 4.1843 4.1843 4.1843 4.1843 6.4198 6.4198 6.4198 6.4198 6.6147 6.6147 6.6147 6.6147 8.4384 8.4384 8.4384 8.4384 9.7220 9.7220 9.7220 9.7220 9.9191 9.9191 k = 0.0000 0.5000 0.2197 ( 8798 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0711 -35.0711 -35.0711 -35.0711 -34.7851 -34.7851 -34.7851 -34.7851 -34.7815 -34.7815 -34.7815 -34.7815 -20.5706 -20.5706 -20.5706 -20.5706 -7.3125 -7.3125 -7.3125 -7.3125 -5.4727 -5.4727 -5.4727 -5.4727 -5.1509 -5.1509 -5.1509 -5.1509 0.0279 0.0279 0.0279 0.0279 4.1647 4.1647 4.1647 4.1647 6.4307 6.4307 6.4307 6.4307 6.6094 6.6094 6.6094 6.6094 8.4406 8.4406 8.4406 8.4406 9.7076 9.7076 9.7076 9.7076 10.0003 10.0003 k = 0.0000 0.5000 0.2343 ( 8824 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0711 -35.0711 -35.0711 -35.0711 -34.7851 -34.7851 -34.7851 -34.7851 -34.7815 -34.7815 -34.7815 -34.7815 -20.5706 -20.5706 -20.5706 -20.5706 -7.3126 -7.3126 -7.3126 -7.3126 -5.4732 -5.4732 -5.4732 -5.4732 -5.1502 -5.1502 -5.1502 -5.1502 0.0310 0.0310 0.0310 0.0310 4.1483 4.1483 4.1483 4.1483 6.4395 6.4395 6.4395 6.4395 6.6050 6.6050 6.6050 6.6050 8.4446 8.4446 8.4446 8.4446 9.6918 9.6918 9.6918 9.6918 10.0821 10.0821 k = 0.0000 0.5000 0.2490 ( 8816 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0711 -35.0711 -35.0711 -35.0711 -34.7851 -34.7851 -34.7851 -34.7851 -34.7815 -34.7815 -34.7815 -34.7815 -20.5706 -20.5706 -20.5706 -20.5706 -7.3127 -7.3127 -7.3127 -7.3127 -5.4736 -5.4736 -5.4736 -5.4736 -5.1497 -5.1497 -5.1497 -5.1497 0.0335 0.0335 0.0335 0.0335 4.1352 4.1352 4.1352 4.1352 6.4462 6.4462 6.4462 6.4462 6.6015 6.6015 6.6015 6.6015 8.4493 8.4493 8.4493 8.4493 9.6769 9.6769 9.6769 9.6769 10.1612 10.1612 k = 0.0000 0.5000 0.2636 ( 8808 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0711 -35.0711 -35.0711 -35.0711 -34.7851 -34.7851 -34.7851 -34.7851 -34.7815 -34.7815 -34.7815 -34.7815 -20.5706 -20.5706 -20.5706 -20.5706 -7.3128 -7.3128 -7.3128 -7.3128 -5.4739 -5.4739 -5.4739 -5.4739 -5.1493 -5.1493 -5.1493 -5.1493 0.0353 0.0353 0.0353 0.0353 4.1256 4.1256 4.1256 4.1256 6.4508 6.4508 6.4508 6.4508 6.5990 6.5990 6.5990 6.5990 8.4537 8.4537 8.4537 8.4537 9.6649 9.6649 9.6649 9.6649 10.2321 10.2321 k = 0.0000 0.5000 0.2783 ( 8816 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0711 -35.0711 -35.0711 -35.0711 -34.7851 -34.7851 -34.7851 -34.7851 -34.7815 -34.7815 -34.7815 -34.7815 -20.5706 -20.5706 -20.5706 -20.5706 -7.3128 -7.3128 -7.3128 -7.3128 -5.4741 -5.4741 -5.4741 -5.4741 -5.1491 -5.1491 -5.1491 -5.1491 0.0365 0.0365 0.0365 0.0365 4.1198 4.1198 4.1198 4.1198 6.4536 6.4536 6.4536 6.4536 6.5975 6.5975 6.5975 6.5975 8.4567 8.4567 8.4567 8.4567 9.6571 9.6571 9.6571 9.6571 10.2846 10.2846 k = 0.0000 0.5000 0.2929 ( 8828 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0711 -35.0711 -35.0711 -35.0711 -34.7851 -34.7851 -34.7851 -34.7851 -34.7815 -34.7815 -34.7815 -34.7815 -20.5706 -20.5706 -20.5706 -20.5706 -7.3128 -7.3128 -7.3128 -7.3128 -5.4741 -5.4741 -5.4741 -5.4741 -5.1490 -5.1490 -5.1490 -5.1490 0.0368 0.0368 0.0368 0.0368 4.1179 4.1179 4.1179 4.1179 6.4545 6.4545 6.4545 6.4545 6.5970 6.5970 6.5970 6.5970 8.4577 8.4577 8.4577 8.4577 9.6544 9.6544 9.6544 9.6544 10.3047 10.3047 k = 0.5000 0.5000-0.0000 ( 8872 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0713 -35.0713 -35.0713 -35.0713 -34.7878 -34.7878 -34.7878 -34.7878 -34.7789 -34.7789 -34.7789 -34.7789 -20.5610 -20.5610 -20.5610 -20.5610 -7.3344 -7.3344 -7.3344 -7.3344 -5.4695 -5.4695 -5.4695 -5.4695 -5.2473 -5.2473 -5.2473 -5.2473 -0.0267 -0.0267 -0.0267 -0.0267 4.3359 4.3359 4.3359 4.3359 6.0932 6.0932 6.0932 6.0932 6.2517 6.2517 6.2517 6.2517 8.4450 8.4450 8.4450 8.4450 8.7586 8.7586 8.7586 8.7586 11.9084 11.9084 k = 0.5000 0.5000 0.0146 ( 8856 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0713 -35.0713 -35.0713 -35.0713 -34.7878 -34.7878 -34.7878 -34.7878 -34.7789 -34.7789 -34.7789 -34.7789 -20.5610 -20.5610 -20.5610 -20.5610 -7.3344 -7.3344 -7.3344 -7.3344 -5.4695 -5.4695 -5.4695 -5.4695 -5.2473 -5.2473 -5.2473 -5.2473 -0.0262 -0.0262 -0.0262 -0.0262 4.3357 4.3357 4.3357 4.3357 6.0906 6.0906 6.0906 6.0906 6.2495 6.2495 6.2495 6.2495 8.4448 8.4448 8.4448 8.4448 8.7688 8.7688 8.7688 8.7688 11.9038 11.9038 k = 0.5000 0.5000 0.0293 ( 8840 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0713 -35.0713 -35.0713 -35.0713 -34.7878 -34.7878 -34.7878 -34.7878 -34.7789 -34.7789 -34.7789 -34.7789 -20.5610 -20.5610 -20.5610 -20.5610 -7.3344 -7.3344 -7.3344 -7.3344 -5.4695 -5.4695 -5.4695 -5.4695 -5.2475 -5.2475 -5.2475 -5.2475 -0.0250 -0.0250 -0.0250 -0.0250 4.3351 4.3351 4.3351 4.3351 6.0822 6.0822 6.0822 6.0822 6.2437 6.2437 6.2437 6.2437 8.4443 8.4443 8.4443 8.4443 8.7987 8.7987 8.7987 8.7987 11.8874 11.8874 k = 0.5000 0.5000 0.0439 ( 8844 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0713 -35.0713 -35.0713 -35.0713 -34.7878 -34.7878 -34.7878 -34.7878 -34.7789 -34.7789 -34.7789 -34.7789 -20.5610 -20.5610 -20.5610 -20.5610 -7.3344 -7.3344 -7.3344 -7.3344 -5.4694 -5.4694 -5.4694 -5.4694 -5.2477 -5.2477 -5.2477 -5.2477 -0.0229 -0.0229 -0.0229 -0.0229 4.3341 4.3341 4.3341 4.3341 6.0664 6.0664 6.0664 6.0664 6.2369 6.2369 6.2369 6.2369 8.4435 8.4435 8.4435 8.4435 8.8474 8.8474 8.8474 8.8474 11.8549 11.8549 k = 0.5000 0.5000 0.0586 ( 8820 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0712 -35.0712 -35.0712 -35.0712 -34.7877 -34.7877 -34.7877 -34.7877 -34.7789 -34.7789 -34.7789 -34.7789 -20.5610 -20.5610 -20.5610 -20.5610 -7.3345 -7.3345 -7.3345 -7.3345 -5.4693 -5.4693 -5.4693 -5.4693 -5.2480 -5.2480 -5.2480 -5.2480 -0.0201 -0.0201 -0.0201 -0.0201 4.3327 4.3327 4.3327 4.3327 6.0418 6.0418 6.0418 6.0418 6.2318 6.2318 6.2318 6.2318 8.4426 8.4426 8.4426 8.4426 8.9131 8.9131 8.9131 8.9131 11.8071 11.8071 k = 0.5000 0.5000 0.0732 ( 8788 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0712 -35.0712 -35.0712 -35.0712 -34.7877 -34.7877 -34.7877 -34.7877 -34.7789 -34.7789 -34.7789 -34.7789 -20.5610 -20.5610 -20.5610 -20.5610 -7.3345 -7.3345 -7.3345 -7.3345 -5.4692 -5.4692 -5.4692 -5.4692 -5.2484 -5.2484 -5.2484 -5.2484 -0.0166 -0.0166 -0.0166 -0.0166 4.3309 4.3309 4.3309 4.3309 6.0083 6.0083 6.0083 6.0083 6.2301 6.2301 6.2301 6.2301 8.4416 8.4416 8.4416 8.4416 8.9941 8.9941 8.9941 8.9941 11.7482 11.7482 k = 0.5000 0.5000 0.0879 ( 8788 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0712 -35.0712 -35.0712 -35.0712 -34.7877 -34.7877 -34.7877 -34.7877 -34.7789 -34.7789 -34.7789 -34.7789 -20.5610 -20.5610 -20.5610 -20.5610 -7.3345 -7.3345 -7.3345 -7.3345 -5.4690 -5.4690 -5.4690 -5.4690 -5.2489 -5.2489 -5.2489 -5.2489 -0.0125 -0.0125 -0.0125 -0.0125 4.3289 4.3289 4.3289 4.3289 5.9673 5.9673 5.9673 5.9673 6.2320 6.2320 6.2320 6.2320 8.4406 8.4406 8.4406 8.4406 9.0881 9.0881 9.0881 9.0881 11.6824 11.6824 k = 0.5000 0.5000 0.1025 ( 8796 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0712 -35.0712 -35.0712 -35.0712 -34.7877 -34.7877 -34.7877 -34.7877 -34.7789 -34.7789 -34.7789 -34.7789 -20.5610 -20.5610 -20.5610 -20.5610 -7.3345 -7.3345 -7.3345 -7.3345 -5.4688 -5.4688 -5.4688 -5.4688 -5.2495 -5.2495 -5.2495 -5.2495 -0.0079 -0.0079 -0.0079 -0.0079 4.3267 4.3267 4.3267 4.3267 5.9210 5.9210 5.9210 5.9210 6.2369 6.2369 6.2369 6.2369 8.4395 8.4395 8.4395 8.4395 9.1930 9.1930 9.1930 9.1930 11.6128 11.6128 k = 0.5000 0.5000 0.1172 ( 8804 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0712 -35.0712 -35.0712 -35.0712 -34.7877 -34.7877 -34.7877 -34.7877 -34.7789 -34.7789 -34.7789 -34.7789 -20.5610 -20.5610 -20.5610 -20.5610 -7.3345 -7.3345 -7.3345 -7.3345 -5.4686 -5.4686 -5.4686 -5.4686 -5.2500 -5.2500 -5.2500 -5.2500 -0.0029 -0.0029 -0.0029 -0.0029 4.3243 4.3243 4.3243 4.3243 5.8716 5.8716 5.8716 5.8716 6.2441 6.2441 6.2441 6.2441 8.4384 8.4384 8.4384 8.4384 9.3070 9.3070 9.3070 9.3070 11.5419 11.5419 k = 0.5000 0.5000 0.1318 ( 8804 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0712 -35.0712 -35.0712 -35.0712 -34.7877 -34.7877 -34.7877 -34.7877 -34.7789 -34.7789 -34.7789 -34.7789 -20.5610 -20.5610 -20.5610 -20.5610 -7.3345 -7.3345 -7.3345 -7.3345 -5.4684 -5.4684 -5.4684 -5.4684 -5.2507 -5.2507 -5.2507 -5.2507 0.0024 0.0024 0.0024 0.0024 4.3218 4.3218 4.3218 4.3218 5.8209 5.8209 5.8209 5.8209 6.2530 6.2530 6.2530 6.2530 8.4372 8.4372 8.4372 8.4372 9.4278 9.4278 9.4278 9.4278 11.4715 11.4715 k = 0.5000 0.5000 0.1465 ( 8816 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0712 -35.0712 -35.0712 -35.0712 -34.7877 -34.7877 -34.7877 -34.7877 -34.7789 -34.7789 -34.7789 -34.7789 -20.5610 -20.5610 -20.5610 -20.5610 -7.3345 -7.3345 -7.3345 -7.3345 -5.4682 -5.4682 -5.4682 -5.4682 -5.2513 -5.2513 -5.2513 -5.2513 0.0079 0.0079 0.0079 0.0079 4.3192 4.3192 4.3192 4.3192 5.7705 5.7705 5.7705 5.7705 6.2628 6.2628 6.2628 6.2628 8.4362 8.4362 8.4362 8.4362 9.5536 9.5536 9.5536 9.5536 11.4032 11.4032 k = 0.5000 0.5000 0.1611 ( 8792 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0712 -35.0712 -35.0712 -35.0712 -34.7877 -34.7877 -34.7877 -34.7877 -34.7789 -34.7789 -34.7789 -34.7789 -20.5610 -20.5610 -20.5610 -20.5610 -7.3345 -7.3345 -7.3345 -7.3345 -5.4680 -5.4680 -5.4680 -5.4680 -5.2519 -5.2519 -5.2519 -5.2519 0.0134 0.0134 0.0134 0.0134 4.3167 4.3167 4.3167 4.3167 5.7218 5.7218 5.7218 5.7218 6.2732 6.2732 6.2732 6.2732 8.4351 8.4351 8.4351 8.4351 9.6822 9.6822 9.6822 9.6822 11.3383 11.3383 k = 0.5000 0.5000 0.1758 ( 8788 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0712 -35.0712 -35.0712 -35.0712 -34.7877 -34.7877 -34.7877 -34.7877 -34.7789 -34.7789 -34.7789 -34.7789 -20.5610 -20.5610 -20.5610 -20.5610 -7.3345 -7.3345 -7.3345 -7.3345 -5.4678 -5.4678 -5.4678 -5.4678 -5.2526 -5.2526 -5.2526 -5.2526 0.0187 0.0187 0.0187 0.0187 4.3142 4.3142 4.3142 4.3142 5.6757 5.6757 5.6757 5.6757 6.2837 6.2837 6.2837 6.2837 8.4342 8.4342 8.4342 8.4342 9.8114 9.8114 9.8114 9.8114 11.2778 11.2778 k = 0.5000 0.5000 0.1904 ( 8788 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0712 -35.0712 -35.0712 -35.0712 -34.7877 -34.7877 -34.7877 -34.7877 -34.7789 -34.7789 -34.7789 -34.7789 -20.5610 -20.5610 -20.5610 -20.5610 -7.3345 -7.3345 -7.3345 -7.3345 -5.4676 -5.4676 -5.4676 -5.4676 -5.2531 -5.2531 -5.2531 -5.2531 0.0239 0.0239 0.0239 0.0239 4.3119 4.3119 4.3119 4.3119 5.6332 5.6332 5.6332 5.6332 6.2939 6.2939 6.2939 6.2939 8.4333 8.4333 8.4333 8.4333 9.9388 9.9388 9.9388 9.9388 11.2227 11.2227 k = 0.5000 0.5000 0.2051 ( 8788 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0712 -35.0712 -35.0712 -35.0712 -34.7877 -34.7877 -34.7877 -34.7877 -34.7789 -34.7789 -34.7789 -34.7789 -20.5610 -20.5610 -20.5610 -20.5610 -7.3345 -7.3345 -7.3345 -7.3345 -5.4674 -5.4674 -5.4674 -5.4674 -5.2537 -5.2537 -5.2537 -5.2537 0.0286 0.0286 0.0286 0.0286 4.3097 4.3097 4.3097 4.3097 5.5951 5.5951 5.5951 5.5951 6.3035 6.3035 6.3035 6.3035 8.4325 8.4325 8.4325 8.4325 10.0616 10.0616 10.0616 10.0616 11.1737 11.1737 k = 0.5000 0.5000 0.2197 ( 8792 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0712 -35.0712 -35.0712 -35.0712 -34.7877 -34.7877 -34.7877 -34.7877 -34.7789 -34.7789 -34.7789 -34.7789 -20.5610 -20.5610 -20.5610 -20.5610 -7.3346 -7.3346 -7.3346 -7.3346 -5.4672 -5.4672 -5.4672 -5.4672 -5.2542 -5.2542 -5.2542 -5.2542 0.0329 0.0329 0.0329 0.0329 4.3079 4.3079 4.3079 4.3079 5.5619 5.5619 5.5619 5.5619 6.3122 6.3122 6.3122 6.3122 8.4318 8.4318 8.4318 8.4318 10.1765 10.1765 10.1765 10.1765 11.1315 11.1315 k = 0.5000 0.5000 0.2343 ( 8800 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0712 -35.0712 -35.0712 -35.0712 -34.7877 -34.7877 -34.7877 -34.7877 -34.7789 -34.7789 -34.7789 -34.7789 -20.5610 -20.5610 -20.5610 -20.5610 -7.3346 -7.3346 -7.3346 -7.3346 -5.4671 -5.4671 -5.4671 -5.4671 -5.2546 -5.2546 -5.2546 -5.2546 0.0365 0.0365 0.0365 0.0365 4.3063 4.3063 4.3063 4.3063 5.5340 5.5340 5.5340 5.5340 6.3197 6.3197 6.3197 6.3197 8.4313 8.4313 8.4313 8.4313 10.2797 10.2797 10.2797 10.2797 11.0966 11.0966 k = 0.5000 0.5000 0.2490 ( 8816 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0712 -35.0712 -35.0712 -35.0712 -34.7877 -34.7877 -34.7877 -34.7877 -34.7789 -34.7789 -34.7789 -34.7789 -20.5610 -20.5610 -20.5610 -20.5610 -7.3346 -7.3346 -7.3346 -7.3346 -5.4670 -5.4670 -5.4670 -5.4670 -5.2549 -5.2549 -5.2549 -5.2549 0.0395 0.0395 0.0395 0.0395 4.3050 4.3050 4.3050 4.3050 5.5120 5.5120 5.5120 5.5120 6.3258 6.3258 6.3258 6.3258 8.4308 8.4308 8.4308 8.4308 10.3668 10.3668 10.3668 10.3668 11.0695 11.0695 k = 0.5000 0.5000 0.2636 ( 8808 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0712 -35.0712 -35.0712 -35.0712 -34.7877 -34.7877 -34.7877 -34.7877 -34.7789 -34.7789 -34.7789 -34.7789 -20.5610 -20.5610 -20.5610 -20.5610 -7.3346 -7.3346 -7.3346 -7.3346 -5.4669 -5.4669 -5.4669 -5.4669 -5.2552 -5.2552 -5.2552 -5.2552 0.0416 0.0416 0.0416 0.0416 4.3040 4.3040 4.3040 4.3040 5.4961 5.4961 5.4961 5.4961 6.3303 6.3303 6.3303 6.3303 8.4305 8.4305 8.4305 8.4305 10.4333 10.4333 10.4333 10.4333 11.0503 11.0503 k = 0.5000 0.5000 0.2783 ( 8808 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0712 -35.0712 -35.0712 -35.0712 -34.7877 -34.7877 -34.7877 -34.7877 -34.7789 -34.7789 -34.7789 -34.7789 -20.5610 -20.5610 -20.5610 -20.5610 -7.3346 -7.3346 -7.3346 -7.3346 -5.4668 -5.4668 -5.4668 -5.4668 -5.2553 -5.2553 -5.2553 -5.2553 0.0430 0.0430 0.0430 0.0430 4.3035 4.3035 4.3035 4.3035 5.4865 5.4865 5.4865 5.4865 6.3331 6.3331 6.3331 6.3331 8.4304 8.4304 8.4304 8.4304 10.4752 10.4752 10.4752 10.4752 11.0389 11.0389 k = 0.5000 0.5000 0.2929 ( 8808 PWs) bands (ev): -68.1306 -68.1306 -68.1306 -68.1306 -35.0712 -35.0712 -35.0712 -35.0712 -34.7877 -34.7877 -34.7877 -34.7877 -34.7789 -34.7789 -34.7789 -34.7789 -20.5610 -20.5610 -20.5610 -20.5610 -7.3346 -7.3346 -7.3346 -7.3346 -5.4668 -5.4668 -5.4668 -5.4668 -5.2554 -5.2554 -5.2554 -5.2554 0.0434 0.0434 0.0434 0.0434 4.3033 4.3033 4.3033 4.3033 5.4832 5.4832 5.4832 5.4832 6.3340 6.3340 6.3340 6.3340 8.4303 8.4303 8.4303 8.4303 10.4895 10.4895 10.4895 10.4895 11.0352 11.0352 Writing output data file BaMgGe.save init_run : 0.39s CPU 0.56s WALL ( 1 calls) electrons : 266.22s CPU 269.68s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 266.20s CPU 269.67s 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 : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.08s CPU 0.13s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.09s CPU 0.12s WALL ( 301 calls) cegterg : 247.92s CPU 250.50s WALL ( 604 calls) Called by sum_band: Called by *egterg: h_psi : 150.83s CPU 152.85s WALL ( 9673 calls) s_psi : 6.30s CPU 6.30s WALL ( 9673 calls) g_psi : 0.46s CPU 0.49s WALL ( 8768 calls) cdiaghg : 66.17s CPU 67.09s WALL ( 9069 calls) cegterg:over : 12.38s CPU 12.26s WALL ( 8768 calls) cegterg:upda : 14.21s CPU 14.30s WALL ( 8768 calls) cegterg:last : 5.81s CPU 5.78s WALL ( 1206 calls) cdiaghg:chol : 3.88s CPU 3.90s WALL ( 9069 calls) cdiaghg:inve : 2.45s CPU 2.56s WALL ( 9069 calls) cdiaghg:para : 3.82s CPU 4.00s WALL ( 18138 calls) Called by h_psi: h_psi:vloc : 135.72s CPU 137.74s WALL ( 9673 calls) h_psi:vnl : 14.48s CPU 14.53s WALL ( 9673 calls) add_vuspsi : 6.77s CPU 6.85s WALL ( 9673 calls) General routines calbec : 7.67s CPU 7.66s WALL ( 9673 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 127.03s CPU 128.97s WALL ( 817608 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.27s CPU 0.43s WALL ( 602 calls) Parallel routines fft_scatter : 41.59s CPU 42.34s WALL ( 817631 calls) PWSCF : 4m52.21s CPU 5m 6.12s WALL This run was terminated on: 14:23: 7 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=