Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20: 8: 5 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: ./NaMgSb.save/ file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 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 66 45 13 3966 2290 349 Max 67 46 14 3972 2305 353 Sum 2377 1649 481 142891 82707 12633 bravais-lattice index = 14 lattice parameter (alat) = 8.7929 a.u. unit-cell volume = 1116.2359 (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 = 67.0000 Ry charge density cutoff = 386.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.792895 celldm(2)= 1.000000 celldm(3)= 1.641951 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 1.641951 ) 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 0.609031 ) PseudoPot. # 1 for Na read from file: /users/gautes/Pseudo/Na.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 13bcaa2858b974004ed12db349b14e76 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1121 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 Sb read from file: /users/gautes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 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 Na 9.00 22.98980 Na( 1.00) Sb 5.00 121.76000 Sb( 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= 304 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032895 k( 2) = ( 0.0000000 0.0147059 -0.0000000), wk = 0.0032895 k( 3) = ( 0.0000000 0.0294118 -0.0000000), wk = 0.0032895 k( 4) = ( 0.0000000 0.0441177 -0.0000000), wk = 0.0032895 k( 5) = ( 0.0000000 0.0588235 -0.0000000), wk = 0.0032895 k( 6) = ( 0.0000000 0.0735294 -0.0000000), wk = 0.0032895 k( 7) = ( 0.0000000 0.0882353 -0.0000000), wk = 0.0032895 k( 8) = ( 0.0000000 0.1029412 -0.0000000), wk = 0.0032895 k( 9) = ( 0.0000000 0.1176471 -0.0000000), wk = 0.0032895 k( 10) = ( 0.0000000 0.1323529 -0.0000000), wk = 0.0032895 k( 11) = ( 0.0000000 0.1470588 -0.0000000), wk = 0.0032895 k( 12) = ( 0.0000000 0.1617647 -0.0000000), wk = 0.0032895 k( 13) = ( 0.0000000 0.1764706 -0.0000000), wk = 0.0032895 k( 14) = ( 0.0000000 0.1911765 -0.0000000), wk = 0.0032895 k( 15) = ( 0.0000000 0.2058823 -0.0000000), wk = 0.0032895 k( 16) = ( 0.0000000 0.2205882 -0.0000000), wk = 0.0032895 k( 17) = ( 0.0000000 0.2352941 -0.0000000), wk = 0.0032895 k( 18) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0032895 k( 19) = ( 0.0000000 0.2647059 -0.0000000), wk = 0.0032895 k( 20) = ( 0.0000000 0.2794118 -0.0000000), wk = 0.0032895 k( 21) = ( 0.0000000 0.2941177 -0.0000000), wk = 0.0032895 k( 22) = ( 0.0000000 0.3088235 -0.0000000), wk = 0.0032895 k( 23) = ( 0.0000000 0.3235294 -0.0000000), wk = 0.0032895 k( 24) = ( 0.0000000 0.3382353 -0.0000000), wk = 0.0032895 k( 25) = ( 0.0000000 0.3529412 -0.0000000), wk = 0.0032895 k( 26) = ( 0.0000000 0.3676471 -0.0000000), wk = 0.0032895 k( 27) = ( 0.0000000 0.3823529 -0.0000000), wk = 0.0032895 k( 28) = ( 0.0000000 0.3970588 -0.0000000), wk = 0.0032895 k( 29) = ( 0.0000000 0.4117647 -0.0000000), wk = 0.0032895 k( 30) = ( 0.0000000 0.4264706 -0.0000000), wk = 0.0032895 k( 31) = ( 0.0000000 0.4411765 -0.0000000), wk = 0.0032895 k( 32) = ( 0.0000000 0.4558823 -0.0000000), wk = 0.0032895 k( 33) = ( 0.0000000 0.4705882 -0.0000000), wk = 0.0032895 k( 34) = ( 0.0000000 0.4852941 -0.0000000), wk = 0.0032895 k( 35) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0032895 k( 36) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0032895 k( 37) = ( 0.0147059 0.5000000 -0.0000000), wk = 0.0032895 k( 38) = ( 0.0294118 0.5000000 -0.0000000), wk = 0.0032895 k( 39) = ( 0.0441177 0.5000000 -0.0000000), wk = 0.0032895 k( 40) = ( 0.0588235 0.5000000 -0.0000000), wk = 0.0032895 k( 41) = ( 0.0735294 0.5000000 -0.0000000), wk = 0.0032895 k( 42) = ( 0.0882353 0.5000000 -0.0000000), wk = 0.0032895 k( 43) = ( 0.1029412 0.5000000 -0.0000000), wk = 0.0032895 k( 44) = ( 0.1176471 0.5000000 -0.0000000), wk = 0.0032895 k( 45) = ( 0.1323529 0.5000000 -0.0000000), wk = 0.0032895 k( 46) = ( 0.1470588 0.5000000 -0.0000000), wk = 0.0032895 k( 47) = ( 0.1617647 0.5000000 -0.0000000), wk = 0.0032895 k( 48) = ( 0.1764706 0.5000000 -0.0000000), wk = 0.0032895 k( 49) = ( 0.1911765 0.5000000 -0.0000000), wk = 0.0032895 k( 50) = ( 0.2058823 0.5000000 -0.0000000), wk = 0.0032895 k( 51) = ( 0.2205882 0.5000000 -0.0000000), wk = 0.0032895 k( 52) = ( 0.2352941 0.5000000 -0.0000000), wk = 0.0032895 k( 53) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0032895 k( 54) = ( 0.2647059 0.5000000 -0.0000000), wk = 0.0032895 k( 55) = ( 0.2794118 0.5000000 -0.0000000), wk = 0.0032895 k( 56) = ( 0.2941177 0.5000000 -0.0000000), wk = 0.0032895 k( 57) = ( 0.3088235 0.5000000 -0.0000000), wk = 0.0032895 k( 58) = ( 0.3235294 0.5000000 -0.0000000), wk = 0.0032895 k( 59) = ( 0.3382353 0.5000000 -0.0000000), wk = 0.0032895 k( 60) = ( 0.3529412 0.5000000 -0.0000000), wk = 0.0032895 k( 61) = ( 0.3676471 0.5000000 -0.0000000), wk = 0.0032895 k( 62) = ( 0.3823529 0.5000000 -0.0000000), wk = 0.0032895 k( 63) = ( 0.3970588 0.5000000 -0.0000000), wk = 0.0032895 k( 64) = ( 0.4117647 0.5000000 -0.0000000), wk = 0.0032895 k( 65) = ( 0.4264706 0.5000000 -0.0000000), wk = 0.0032895 k( 66) = ( 0.4411765 0.5000000 -0.0000000), wk = 0.0032895 k( 67) = ( 0.4558823 0.5000000 -0.0000000), wk = 0.0032895 k( 68) = ( 0.4705882 0.5000000 -0.0000000), wk = 0.0032895 k( 69) = ( 0.4852941 0.5000000 -0.0000000), wk = 0.0032895 k( 70) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032895 k( 71) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032895 k( 72) = ( 0.4895833 0.4895833 -0.0000000), wk = 0.0032895 k( 73) = ( 0.4791667 0.4791667 -0.0000000), wk = 0.0032895 k( 74) = ( 0.4687500 0.4687500 -0.0000000), wk = 0.0032895 k( 75) = ( 0.4583333 0.4583333 -0.0000000), wk = 0.0032895 k( 76) = ( 0.4479167 0.4479167 -0.0000000), wk = 0.0032895 k( 77) = ( 0.4375000 0.4375000 -0.0000000), wk = 0.0032895 k( 78) = ( 0.4270833 0.4270833 -0.0000000), wk = 0.0032895 k( 79) = ( 0.4166667 0.4166667 -0.0000000), wk = 0.0032895 k( 80) = ( 0.4062500 0.4062500 -0.0000000), wk = 0.0032895 k( 81) = ( 0.3958333 0.3958333 -0.0000000), wk = 0.0032895 k( 82) = ( 0.3854167 0.3854167 -0.0000000), wk = 0.0032895 k( 83) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0032895 k( 84) = ( 0.3645833 0.3645833 -0.0000000), wk = 0.0032895 k( 85) = ( 0.3541667 0.3541667 -0.0000000), wk = 0.0032895 k( 86) = ( 0.3437500 0.3437500 -0.0000000), wk = 0.0032895 k( 87) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0032895 k( 88) = ( 0.3229167 0.3229167 -0.0000000), wk = 0.0032895 k( 89) = ( 0.3125000 0.3125000 -0.0000000), wk = 0.0032895 k( 90) = ( 0.3020833 0.3020833 -0.0000000), wk = 0.0032895 k( 91) = ( 0.2916667 0.2916667 -0.0000000), wk = 0.0032895 k( 92) = ( 0.2812500 0.2812500 -0.0000000), wk = 0.0032895 k( 93) = ( 0.2708333 0.2708333 -0.0000000), wk = 0.0032895 k( 94) = ( 0.2604167 0.2604167 -0.0000000), wk = 0.0032895 k( 95) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0032895 k( 96) = ( 0.2395833 0.2395833 -0.0000000), wk = 0.0032895 k( 97) = ( 0.2291667 0.2291667 -0.0000000), wk = 0.0032895 k( 98) = ( 0.2187500 0.2187500 -0.0000000), wk = 0.0032895 k( 99) = ( 0.2083333 0.2083333 -0.0000000), wk = 0.0032895 k( 100) = ( 0.1979167 0.1979167 -0.0000000), wk = 0.0032895 k( 101) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0032895 k( 102) = ( 0.1770833 0.1770833 -0.0000000), wk = 0.0032895 k( 103) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0032895 k( 104) = ( 0.1562500 0.1562500 -0.0000000), wk = 0.0032895 k( 105) = ( 0.1458333 0.1458333 -0.0000000), wk = 0.0032895 k( 106) = ( 0.1354167 0.1354167 -0.0000000), wk = 0.0032895 k( 107) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0032895 k( 108) = ( 0.1145833 0.1145833 -0.0000000), wk = 0.0032895 k( 109) = ( 0.1041667 0.1041667 -0.0000000), wk = 0.0032895 k( 110) = ( 0.0937500 0.0937500 -0.0000000), wk = 0.0032895 k( 111) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0032895 k( 112) = ( 0.0729167 0.0729167 -0.0000000), wk = 0.0032895 k( 113) = ( 0.0625000 0.0625000 -0.0000000), wk = 0.0032895 k( 114) = ( 0.0520833 0.0520833 -0.0000000), wk = 0.0032895 k( 115) = ( 0.0416667 0.0416667 -0.0000000), wk = 0.0032895 k( 116) = ( 0.0312500 0.0312500 -0.0000000), wk = 0.0032895 k( 117) = ( 0.0208333 0.0208333 -0.0000000), wk = 0.0032895 k( 118) = ( 0.0104167 0.0104167 -0.0000000), wk = 0.0032895 k( 119) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032895 k( 120) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032895 k( 121) = ( 0.0000000 0.0000000 0.0145007), wk = 0.0032895 k( 122) = ( 0.0000000 0.0000000 0.0290015), wk = 0.0032895 k( 123) = ( 0.0000000 0.0000000 0.0435022), wk = 0.0032895 k( 124) = ( 0.0000000 0.0000000 0.0580030), wk = 0.0032895 k( 125) = ( 0.0000000 0.0000000 0.0725037), wk = 0.0032895 k( 126) = ( 0.0000000 0.0000000 0.0870045), wk = 0.0032895 k( 127) = ( 0.0000000 0.0000000 0.1015052), wk = 0.0032895 k( 128) = ( 0.0000000 0.0000000 0.1160060), wk = 0.0032895 k( 129) = ( 0.0000000 0.0000000 0.1305067), wk = 0.0032895 k( 130) = ( 0.0000000 0.0000000 0.1450075), wk = 0.0032895 k( 131) = ( 0.0000000 0.0000000 0.1595082), wk = 0.0032895 k( 132) = ( 0.0000000 0.0000000 0.1740090), wk = 0.0032895 k( 133) = ( 0.0000000 0.0000000 0.1885097), wk = 0.0032895 k( 134) = ( 0.0000000 0.0000000 0.2030105), wk = 0.0032895 k( 135) = ( 0.0000000 0.0000000 0.2175112), wk = 0.0032895 k( 136) = ( 0.0000000 0.0000000 0.2320120), wk = 0.0032895 k( 137) = ( 0.0000000 0.0000000 0.2465127), wk = 0.0032895 k( 138) = ( 0.0000000 0.0000000 0.2610135), wk = 0.0032895 k( 139) = ( 0.0000000 0.0000000 0.2755142), wk = 0.0032895 k( 140) = ( 0.0000000 0.0000000 0.2900150), wk = 0.0032895 k( 141) = ( 0.0000000 0.0000000 0.3045157), wk = 0.0032895 k( 142) = ( 0.0000000 0.0000000 0.3045157), wk = 0.0032895 k( 143) = ( 0.0000000 0.0147059 0.3045157), wk = 0.0032895 k( 144) = ( 0.0000000 0.0294118 0.3045157), wk = 0.0032895 k( 145) = ( 0.0000000 0.0441177 0.3045157), wk = 0.0032895 k( 146) = ( 0.0000000 0.0588235 0.3045157), wk = 0.0032895 k( 147) = ( 0.0000000 0.0735294 0.3045157), wk = 0.0032895 k( 148) = ( 0.0000000 0.0882353 0.3045157), wk = 0.0032895 k( 149) = ( 0.0000000 0.1029412 0.3045157), wk = 0.0032895 k( 150) = ( 0.0000000 0.1176471 0.3045157), wk = 0.0032895 k( 151) = ( 0.0000000 0.1323529 0.3045157), wk = 0.0032895 k( 152) = ( 0.0000000 0.1470588 0.3045157), wk = 0.0032895 k( 153) = ( 0.0000000 0.1617647 0.3045157), wk = 0.0032895 k( 154) = ( 0.0000000 0.1764706 0.3045157), wk = 0.0032895 k( 155) = ( 0.0000000 0.1911765 0.3045157), wk = 0.0032895 k( 156) = ( 0.0000000 0.2058823 0.3045157), wk = 0.0032895 k( 157) = ( 0.0000000 0.2205882 0.3045157), wk = 0.0032895 k( 158) = ( 0.0000000 0.2352941 0.3045157), wk = 0.0032895 k( 159) = ( 0.0000000 0.2500000 0.3045157), wk = 0.0032895 k( 160) = ( 0.0000000 0.2647059 0.3045157), wk = 0.0032895 k( 161) = ( 0.0000000 0.2794118 0.3045157), wk = 0.0032895 k( 162) = ( 0.0000000 0.2941177 0.3045157), wk = 0.0032895 k( 163) = ( 0.0000000 0.3088235 0.3045157), wk = 0.0032895 k( 164) = ( 0.0000000 0.3235294 0.3045157), wk = 0.0032895 k( 165) = ( 0.0000000 0.3382353 0.3045157), wk = 0.0032895 k( 166) = ( 0.0000000 0.3529412 0.3045157), wk = 0.0032895 k( 167) = ( 0.0000000 0.3676471 0.3045157), wk = 0.0032895 k( 168) = ( 0.0000000 0.3823529 0.3045157), wk = 0.0032895 k( 169) = ( 0.0000000 0.3970588 0.3045157), wk = 0.0032895 k( 170) = ( 0.0000000 0.4117647 0.3045157), wk = 0.0032895 k( 171) = ( 0.0000000 0.4264706 0.3045157), wk = 0.0032895 k( 172) = ( 0.0000000 0.4411765 0.3045157), wk = 0.0032895 k( 173) = ( 0.0000000 0.4558823 0.3045157), wk = 0.0032895 k( 174) = ( 0.0000000 0.4705882 0.3045157), wk = 0.0032895 k( 175) = ( 0.0000000 0.4852941 0.3045157), wk = 0.0032895 k( 176) = ( 0.0000000 0.5000000 0.3045157), wk = 0.0032895 k( 177) = ( 0.0000000 0.5000000 0.3045157), wk = 0.0032895 k( 178) = ( 0.0147059 0.5000000 0.3045157), wk = 0.0032895 k( 179) = ( 0.0294118 0.5000000 0.3045157), wk = 0.0032895 k( 180) = ( 0.0441177 0.5000000 0.3045157), wk = 0.0032895 k( 181) = ( 0.0588235 0.5000000 0.3045157), wk = 0.0032895 k( 182) = ( 0.0735294 0.5000000 0.3045157), wk = 0.0032895 k( 183) = ( 0.0882353 0.5000000 0.3045157), wk = 0.0032895 k( 184) = ( 0.1029412 0.5000000 0.3045157), wk = 0.0032895 k( 185) = ( 0.1176471 0.5000000 0.3045157), wk = 0.0032895 k( 186) = ( 0.1323529 0.5000000 0.3045157), wk = 0.0032895 k( 187) = ( 0.1470588 0.5000000 0.3045157), wk = 0.0032895 k( 188) = ( 0.1617647 0.5000000 0.3045157), wk = 0.0032895 k( 189) = ( 0.1764706 0.5000000 0.3045157), wk = 0.0032895 k( 190) = ( 0.1911765 0.5000000 0.3045157), wk = 0.0032895 k( 191) = ( 0.2058823 0.5000000 0.3045157), wk = 0.0032895 k( 192) = ( 0.2205882 0.5000000 0.3045157), wk = 0.0032895 k( 193) = ( 0.2352941 0.5000000 0.3045157), wk = 0.0032895 k( 194) = ( 0.2500000 0.5000000 0.3045157), wk = 0.0032895 k( 195) = ( 0.2647059 0.5000000 0.3045157), wk = 0.0032895 k( 196) = ( 0.2794118 0.5000000 0.3045157), wk = 0.0032895 k( 197) = ( 0.2941177 0.5000000 0.3045157), wk = 0.0032895 k( 198) = ( 0.3088235 0.5000000 0.3045157), wk = 0.0032895 k( 199) = ( 0.3235294 0.5000000 0.3045157), wk = 0.0032895 k( 200) = ( 0.3382353 0.5000000 0.3045157), wk = 0.0032895 k( 201) = ( 0.3529412 0.5000000 0.3045157), wk = 0.0032895 k( 202) = ( 0.3676471 0.5000000 0.3045157), wk = 0.0032895 k( 203) = ( 0.3823529 0.5000000 0.3045157), wk = 0.0032895 k( 204) = ( 0.3970588 0.5000000 0.3045157), wk = 0.0032895 k( 205) = ( 0.4117647 0.5000000 0.3045157), wk = 0.0032895 k( 206) = ( 0.4264706 0.5000000 0.3045157), wk = 0.0032895 k( 207) = ( 0.4411765 0.5000000 0.3045157), wk = 0.0032895 k( 208) = ( 0.4558823 0.5000000 0.3045157), wk = 0.0032895 k( 209) = ( 0.4705882 0.5000000 0.3045157), wk = 0.0032895 k( 210) = ( 0.4852941 0.5000000 0.3045157), wk = 0.0032895 k( 211) = ( 0.5000000 0.5000000 0.3045157), wk = 0.0032895 k( 212) = ( 0.5000000 0.5000000 0.3045157), wk = 0.0032895 k( 213) = ( 0.4895833 0.4895833 0.3045157), wk = 0.0032895 k( 214) = ( 0.4791667 0.4791667 0.3045157), wk = 0.0032895 k( 215) = ( 0.4687500 0.4687500 0.3045157), wk = 0.0032895 k( 216) = ( 0.4583333 0.4583333 0.3045157), wk = 0.0032895 k( 217) = ( 0.4479167 0.4479167 0.3045157), wk = 0.0032895 k( 218) = ( 0.4375000 0.4375000 0.3045157), wk = 0.0032895 k( 219) = ( 0.4270833 0.4270833 0.3045157), wk = 0.0032895 k( 220) = ( 0.4166667 0.4166667 0.3045157), wk = 0.0032895 k( 221) = ( 0.4062500 0.4062500 0.3045157), wk = 0.0032895 k( 222) = ( 0.3958333 0.3958333 0.3045157), wk = 0.0032895 k( 223) = ( 0.3854167 0.3854167 0.3045157), wk = 0.0032895 k( 224) = ( 0.3750000 0.3750000 0.3045157), wk = 0.0032895 k( 225) = ( 0.3645833 0.3645833 0.3045157), wk = 0.0032895 k( 226) = ( 0.3541667 0.3541667 0.3045157), wk = 0.0032895 k( 227) = ( 0.3437500 0.3437500 0.3045157), wk = 0.0032895 k( 228) = ( 0.3333333 0.3333333 0.3045157), wk = 0.0032895 k( 229) = ( 0.3229167 0.3229167 0.3045157), wk = 0.0032895 k( 230) = ( 0.3125000 0.3125000 0.3045157), wk = 0.0032895 k( 231) = ( 0.3020833 0.3020833 0.3045157), wk = 0.0032895 k( 232) = ( 0.2916667 0.2916667 0.3045157), wk = 0.0032895 k( 233) = ( 0.2812500 0.2812500 0.3045157), wk = 0.0032895 k( 234) = ( 0.2708333 0.2708333 0.3045157), wk = 0.0032895 k( 235) = ( 0.2604167 0.2604167 0.3045157), wk = 0.0032895 k( 236) = ( 0.2500000 0.2500000 0.3045157), wk = 0.0032895 k( 237) = ( 0.2395833 0.2395833 0.3045157), wk = 0.0032895 k( 238) = ( 0.2291667 0.2291667 0.3045157), wk = 0.0032895 k( 239) = ( 0.2187500 0.2187500 0.3045157), wk = 0.0032895 k( 240) = ( 0.2083333 0.2083333 0.3045157), wk = 0.0032895 k( 241) = ( 0.1979167 0.1979167 0.3045157), wk = 0.0032895 k( 242) = ( 0.1875000 0.1875000 0.3045157), wk = 0.0032895 k( 243) = ( 0.1770833 0.1770833 0.3045157), wk = 0.0032895 k( 244) = ( 0.1666667 0.1666667 0.3045157), wk = 0.0032895 k( 245) = ( 0.1562500 0.1562500 0.3045157), wk = 0.0032895 k( 246) = ( 0.1458333 0.1458333 0.3045157), wk = 0.0032895 k( 247) = ( 0.1354167 0.1354167 0.3045157), wk = 0.0032895 k( 248) = ( 0.1250000 0.1250000 0.3045157), wk = 0.0032895 k( 249) = ( 0.1145833 0.1145833 0.3045157), wk = 0.0032895 k( 250) = ( 0.1041667 0.1041667 0.3045157), wk = 0.0032895 k( 251) = ( 0.0937500 0.0937500 0.3045157), wk = 0.0032895 k( 252) = ( 0.0833333 0.0833333 0.3045157), wk = 0.0032895 k( 253) = ( 0.0729167 0.0729167 0.3045157), wk = 0.0032895 k( 254) = ( 0.0625000 0.0625000 0.3045157), wk = 0.0032895 k( 255) = ( 0.0520833 0.0520833 0.3045157), wk = 0.0032895 k( 256) = ( 0.0416667 0.0416667 0.3045157), wk = 0.0032895 k( 257) = ( 0.0312500 0.0312500 0.3045157), wk = 0.0032895 k( 258) = ( 0.0208333 0.0208333 0.3045157), wk = 0.0032895 k( 259) = ( 0.0104167 0.0104167 0.3045157), wk = 0.0032895 k( 260) = ( 0.0000000 0.0000000 0.3045157), wk = 0.0032895 k( 261) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0032895 k( 262) = ( 0.0000000 0.5000000 0.0145007), wk = 0.0032895 k( 263) = ( 0.0000000 0.5000000 0.0290015), wk = 0.0032895 k( 264) = ( 0.0000000 0.5000000 0.0435022), wk = 0.0032895 k( 265) = ( 0.0000000 0.5000000 0.0580030), wk = 0.0032895 k( 266) = ( 0.0000000 0.5000000 0.0725037), wk = 0.0032895 k( 267) = ( 0.0000000 0.5000000 0.0870045), wk = 0.0032895 k( 268) = ( 0.0000000 0.5000000 0.1015052), wk = 0.0032895 k( 269) = ( 0.0000000 0.5000000 0.1160060), wk = 0.0032895 k( 270) = ( 0.0000000 0.5000000 0.1305067), wk = 0.0032895 k( 271) = ( 0.0000000 0.5000000 0.1450075), wk = 0.0032895 k( 272) = ( 0.0000000 0.5000000 0.1595082), wk = 0.0032895 k( 273) = ( 0.0000000 0.5000000 0.1740090), wk = 0.0032895 k( 274) = ( 0.0000000 0.5000000 0.1885097), wk = 0.0032895 k( 275) = ( 0.0000000 0.5000000 0.2030105), wk = 0.0032895 k( 276) = ( 0.0000000 0.5000000 0.2175112), wk = 0.0032895 k( 277) = ( 0.0000000 0.5000000 0.2320120), wk = 0.0032895 k( 278) = ( 0.0000000 0.5000000 0.2465127), wk = 0.0032895 k( 279) = ( 0.0000000 0.5000000 0.2610135), wk = 0.0032895 k( 280) = ( 0.0000000 0.5000000 0.2755142), wk = 0.0032895 k( 281) = ( 0.0000000 0.5000000 0.2900150), wk = 0.0032895 k( 282) = ( 0.0000000 0.5000000 0.3045157), wk = 0.0032895 k( 283) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032895 k( 284) = ( 0.5000000 0.5000000 0.0145007), wk = 0.0032895 k( 285) = ( 0.5000000 0.5000000 0.0290015), wk = 0.0032895 k( 286) = ( 0.5000000 0.5000000 0.0435022), wk = 0.0032895 k( 287) = ( 0.5000000 0.5000000 0.0580030), wk = 0.0032895 k( 288) = ( 0.5000000 0.5000000 0.0725037), wk = 0.0032895 k( 289) = ( 0.5000000 0.5000000 0.0870045), wk = 0.0032895 k( 290) = ( 0.5000000 0.5000000 0.1015052), wk = 0.0032895 k( 291) = ( 0.5000000 0.5000000 0.1160060), wk = 0.0032895 k( 292) = ( 0.5000000 0.5000000 0.1305067), wk = 0.0032895 k( 293) = ( 0.5000000 0.5000000 0.1450075), wk = 0.0032895 k( 294) = ( 0.5000000 0.5000000 0.1595082), wk = 0.0032895 k( 295) = ( 0.5000000 0.5000000 0.1740090), wk = 0.0032895 k( 296) = ( 0.5000000 0.5000000 0.1885097), wk = 0.0032895 k( 297) = ( 0.5000000 0.5000000 0.2030105), wk = 0.0032895 k( 298) = ( 0.5000000 0.5000000 0.2175112), wk = 0.0032895 k( 299) = ( 0.5000000 0.5000000 0.2320120), wk = 0.0032895 k( 300) = ( 0.5000000 0.5000000 0.2465127), wk = 0.0032895 k( 301) = ( 0.5000000 0.5000000 0.2610135), wk = 0.0032895 k( 302) = ( 0.5000000 0.5000000 0.2755142), wk = 0.0032895 k( 303) = ( 0.5000000 0.5000000 0.2900150), wk = 0.0032895 k( 304) = ( 0.5000000 0.5000000 0.3045157), wk = 0.0032895 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032895 k( 2) = ( 0.0000000 0.0147059 0.0000000), wk = 0.0032895 k( 3) = ( 0.0000000 0.0294118 0.0000000), wk = 0.0032895 k( 4) = ( 0.0000000 0.0441177 0.0000000), wk = 0.0032895 k( 5) = ( 0.0000000 0.0588235 0.0000000), wk = 0.0032895 k( 6) = ( 0.0000000 0.0735294 0.0000000), wk = 0.0032895 k( 7) = ( 0.0000000 0.0882353 0.0000000), wk = 0.0032895 k( 8) = ( 0.0000000 0.1029412 0.0000000), wk = 0.0032895 k( 9) = ( 0.0000000 0.1176471 0.0000000), wk = 0.0032895 k( 10) = ( 0.0000000 0.1323529 -0.0000000), wk = 0.0032895 k( 11) = ( 0.0000000 0.1470588 0.0000000), wk = 0.0032895 k( 12) = ( 0.0000000 0.1617647 0.0000000), wk = 0.0032895 k( 13) = ( 0.0000000 0.1764706 0.0000000), wk = 0.0032895 k( 14) = ( 0.0000000 0.1911765 0.0000000), wk = 0.0032895 k( 15) = ( 0.0000000 0.2058823 0.0000000), wk = 0.0032895 k( 16) = ( 0.0000000 0.2205882 -0.0000000), wk = 0.0032895 k( 17) = ( 0.0000000 0.2352941 0.0000000), wk = 0.0032895 k( 18) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0032895 k( 19) = ( 0.0000000 0.2647059 -0.0000000), wk = 0.0032895 k( 20) = ( 0.0000000 0.2794118 0.0000000), wk = 0.0032895 k( 21) = ( 0.0000000 0.2941177 -0.0000000), wk = 0.0032895 k( 22) = ( 0.0000000 0.3088235 0.0000000), wk = 0.0032895 k( 23) = ( 0.0000000 0.3235294 -0.0000000), wk = 0.0032895 k( 24) = ( 0.0000000 0.3382353 -0.0000000), wk = 0.0032895 k( 25) = ( 0.0000000 0.3529412 0.0000000), wk = 0.0032895 k( 26) = ( 0.0000000 0.3676471 0.0000000), wk = 0.0032895 k( 27) = ( 0.0000000 0.3823529 0.0000000), wk = 0.0032895 k( 28) = ( 0.0000000 0.3970588 0.0000000), wk = 0.0032895 k( 29) = ( 0.0000000 0.4117647 -0.0000000), wk = 0.0032895 k( 30) = ( 0.0000000 0.4264706 0.0000000), wk = 0.0032895 k( 31) = ( 0.0000000 0.4411765 0.0000000), wk = 0.0032895 k( 32) = ( 0.0000000 0.4558823 0.0000000), wk = 0.0032895 k( 33) = ( 0.0000000 0.4705882 0.0000000), wk = 0.0032895 k( 34) = ( 0.0000000 0.4852941 -0.0000000), wk = 0.0032895 k( 35) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0032895 k( 36) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0032895 k( 37) = ( 0.0147059 0.5000000 0.0000000), wk = 0.0032895 k( 38) = ( 0.0294118 0.5000000 0.0000000), wk = 0.0032895 k( 39) = ( 0.0441177 0.5000000 0.0000000), wk = 0.0032895 k( 40) = ( 0.0588235 0.5000000 0.0000000), wk = 0.0032895 k( 41) = ( 0.0735294 0.5000000 0.0000000), wk = 0.0032895 k( 42) = ( 0.0882353 0.5000000 0.0000000), wk = 0.0032895 k( 43) = ( 0.1029412 0.5000000 0.0000000), wk = 0.0032895 k( 44) = ( 0.1176471 0.5000000 0.0000000), wk = 0.0032895 k( 45) = ( 0.1323529 0.5000000 -0.0000000), wk = 0.0032895 k( 46) = ( 0.1470588 0.5000000 0.0000000), wk = 0.0032895 k( 47) = ( 0.1617647 0.5000000 0.0000000), wk = 0.0032895 k( 48) = ( 0.1764706 0.5000000 0.0000000), wk = 0.0032895 k( 49) = ( 0.1911765 0.5000000 0.0000000), wk = 0.0032895 k( 50) = ( 0.2058823 0.5000000 -0.0000000), wk = 0.0032895 k( 51) = ( 0.2205882 0.5000000 0.0000000), wk = 0.0032895 k( 52) = ( 0.2352941 0.5000000 0.0000000), wk = 0.0032895 k( 53) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0032895 k( 54) = ( 0.2647059 0.5000000 0.0000000), wk = 0.0032895 k( 55) = ( 0.2794118 0.5000000 -0.0000000), wk = 0.0032895 k( 56) = ( 0.2941177 0.5000000 0.0000000), wk = 0.0032895 k( 57) = ( 0.3088235 0.5000000 -0.0000000), wk = 0.0032895 k( 58) = ( 0.3235294 0.5000000 0.0000000), wk = 0.0032895 k( 59) = ( 0.3382353 0.5000000 0.0000000), wk = 0.0032895 k( 60) = ( 0.3529412 0.5000000 0.0000000), wk = 0.0032895 k( 61) = ( 0.3676471 0.5000000 -0.0000000), wk = 0.0032895 k( 62) = ( 0.3823529 0.5000000 -0.0000000), wk = 0.0032895 k( 63) = ( 0.3970588 0.5000000 0.0000000), wk = 0.0032895 k( 64) = ( 0.4117647 0.5000000 0.0000000), wk = 0.0032895 k( 65) = ( 0.4264706 0.5000000 0.0000000), wk = 0.0032895 k( 66) = ( 0.4411765 0.5000000 -0.0000000), wk = 0.0032895 k( 67) = ( 0.4558823 0.5000000 0.0000000), wk = 0.0032895 k( 68) = ( 0.4705882 0.5000000 0.0000000), wk = 0.0032895 k( 69) = ( 0.4852941 0.5000000 -0.0000000), wk = 0.0032895 k( 70) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0032895 k( 71) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0032895 k( 72) = ( 0.4895833 0.4895833 0.0000000), wk = 0.0032895 k( 73) = ( 0.4791667 0.4791667 0.0000000), wk = 0.0032895 k( 74) = ( 0.4687500 0.4687500 -0.0000000), wk = 0.0032895 k( 75) = ( 0.4583333 0.4583333 0.0000000), wk = 0.0032895 k( 76) = ( 0.4479167 0.4479167 -0.0000000), wk = 0.0032895 k( 77) = ( 0.4375000 0.4375000 0.0000000), wk = 0.0032895 k( 78) = ( 0.4270833 0.4270833 -0.0000000), wk = 0.0032895 k( 79) = ( 0.4166667 0.4166667 -0.0000000), wk = 0.0032895 k( 80) = ( 0.4062500 0.4062500 -0.0000000), wk = 0.0032895 k( 81) = ( 0.3958333 0.3958333 0.0000000), wk = 0.0032895 k( 82) = ( 0.3854167 0.3854167 0.0000000), wk = 0.0032895 k( 83) = ( 0.3750000 0.3750000 0.0000000), wk = 0.0032895 k( 84) = ( 0.3645833 0.3645833 -0.0000000), wk = 0.0032895 k( 85) = ( 0.3541667 0.3541667 0.0000000), wk = 0.0032895 k( 86) = ( 0.3437500 0.3437500 -0.0000000), wk = 0.0032895 k( 87) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0032895 k( 88) = ( 0.3229167 0.3229167 0.0000000), wk = 0.0032895 k( 89) = ( 0.3125000 0.3125000 -0.0000000), wk = 0.0032895 k( 90) = ( 0.3020833 0.3020833 0.0000000), wk = 0.0032895 k( 91) = ( 0.2916667 0.2916667 -0.0000000), wk = 0.0032895 k( 92) = ( 0.2812500 0.2812500 -0.0000000), wk = 0.0032895 k( 93) = ( 0.2708333 0.2708333 0.0000000), wk = 0.0032895 k( 94) = ( 0.2604167 0.2604167 0.0000000), wk = 0.0032895 k( 95) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0032895 k( 96) = ( 0.2395833 0.2395833 0.0000000), wk = 0.0032895 k( 97) = ( 0.2291667 0.2291667 -0.0000000), wk = 0.0032895 k( 98) = ( 0.2187500 0.2187500 0.0000000), wk = 0.0032895 k( 99) = ( 0.2083333 0.2083333 0.0000000), wk = 0.0032895 k( 100) = ( 0.1979167 0.1979167 0.0000000), wk = 0.0032895 k( 101) = ( 0.1875000 0.1875000 0.0000000), wk = 0.0032895 k( 102) = ( 0.1770833 0.1770833 0.0000000), wk = 0.0032895 k( 103) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0032895 k( 104) = ( 0.1562500 0.1562500 -0.0000000), wk = 0.0032895 k( 105) = ( 0.1458333 0.1458333 0.0000000), wk = 0.0032895 k( 106) = ( 0.1354167 0.1354167 0.0000000), wk = 0.0032895 k( 107) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0032895 k( 108) = ( 0.1145833 0.1145833 -0.0000000), wk = 0.0032895 k( 109) = ( 0.1041667 0.1041667 -0.0000000), wk = 0.0032895 k( 110) = ( 0.0937500 0.0937500 0.0000000), wk = 0.0032895 k( 111) = ( 0.0833333 0.0833333 0.0000000), wk = 0.0032895 k( 112) = ( 0.0729167 0.0729167 0.0000000), wk = 0.0032895 k( 113) = ( 0.0625000 0.0625000 0.0000000), wk = 0.0032895 k( 114) = ( 0.0520833 0.0520833 0.0000000), wk = 0.0032895 k( 115) = ( 0.0416667 0.0416667 0.0000000), wk = 0.0032895 k( 116) = ( 0.0312500 0.0312500 0.0000000), wk = 0.0032895 k( 117) = ( 0.0208333 0.0208333 0.0000000), wk = 0.0032895 k( 118) = ( 0.0104167 0.0104167 0.0000000), wk = 0.0032895 k( 119) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032895 k( 120) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032895 k( 121) = ( 0.0000000 0.0000000 0.0238095), wk = 0.0032895 k( 122) = ( 0.0000000 0.0000000 0.0476191), wk = 0.0032895 k( 123) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0032895 k( 124) = ( 0.0000000 0.0000000 0.0952381), wk = 0.0032895 k( 125) = ( 0.0000000 0.0000000 0.1190476), wk = 0.0032895 k( 126) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0032895 k( 127) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0032895 k( 128) = ( 0.0000000 0.0000000 0.1904762), wk = 0.0032895 k( 129) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0032895 k( 130) = ( 0.0000000 0.0000000 0.2380952), wk = 0.0032895 k( 131) = ( 0.0000000 0.0000000 0.2619048), wk = 0.0032895 k( 132) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0032895 k( 133) = ( 0.0000000 0.0000000 0.3095238), wk = 0.0032895 k( 134) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0032895 k( 135) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0032895 k( 136) = ( 0.0000000 0.0000000 0.3809524), wk = 0.0032895 k( 137) = ( 0.0000000 0.0000000 0.4047619), wk = 0.0032895 k( 138) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0032895 k( 139) = ( 0.0000000 0.0000000 0.4523810), wk = 0.0032895 k( 140) = ( 0.0000000 0.0000000 0.4761905), wk = 0.0032895 k( 141) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032895 k( 142) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032895 k( 143) = ( 0.0000000 0.0147059 0.5000000), wk = 0.0032895 k( 144) = ( 0.0000000 0.0294118 0.5000000), wk = 0.0032895 k( 145) = ( 0.0000000 0.0441177 0.5000000), wk = 0.0032895 k( 146) = ( 0.0000000 0.0588235 0.5000000), wk = 0.0032895 k( 147) = ( 0.0000000 0.0735294 0.5000000), wk = 0.0032895 k( 148) = ( 0.0000000 0.0882353 0.5000000), wk = 0.0032895 k( 149) = ( 0.0000000 0.1029412 0.5000000), wk = 0.0032895 k( 150) = ( 0.0000000 0.1176471 0.5000000), wk = 0.0032895 k( 151) = ( 0.0000000 0.1323529 0.5000000), wk = 0.0032895 k( 152) = ( 0.0000000 0.1470588 0.5000000), wk = 0.0032895 k( 153) = ( 0.0000000 0.1617647 0.5000000), wk = 0.0032895 k( 154) = ( 0.0000000 0.1764706 0.5000000), wk = 0.0032895 k( 155) = ( 0.0000000 0.1911765 0.5000000), wk = 0.0032895 k( 156) = ( 0.0000000 0.2058823 0.5000000), wk = 0.0032895 k( 157) = ( 0.0000000 0.2205882 0.5000000), wk = 0.0032895 k( 158) = ( 0.0000000 0.2352941 0.5000000), wk = 0.0032895 k( 159) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0032895 k( 160) = ( 0.0000000 0.2647059 0.5000000), wk = 0.0032895 k( 161) = ( 0.0000000 0.2794118 0.5000000), wk = 0.0032895 k( 162) = ( 0.0000000 0.2941177 0.5000000), wk = 0.0032895 k( 163) = ( 0.0000000 0.3088235 0.5000000), wk = 0.0032895 k( 164) = ( 0.0000000 0.3235294 0.5000000), wk = 0.0032895 k( 165) = ( 0.0000000 0.3382353 0.5000000), wk = 0.0032895 k( 166) = ( 0.0000000 0.3529412 0.5000000), wk = 0.0032895 k( 167) = ( 0.0000000 0.3676471 0.5000000), wk = 0.0032895 k( 168) = ( 0.0000000 0.3823529 0.5000000), wk = 0.0032895 k( 169) = ( 0.0000000 0.3970588 0.5000000), wk = 0.0032895 k( 170) = ( 0.0000000 0.4117647 0.5000000), wk = 0.0032895 k( 171) = ( 0.0000000 0.4264706 0.5000000), wk = 0.0032895 k( 172) = ( 0.0000000 0.4411765 0.5000000), wk = 0.0032895 k( 173) = ( 0.0000000 0.4558823 0.5000000), wk = 0.0032895 k( 174) = ( 0.0000000 0.4705882 0.5000000), wk = 0.0032895 k( 175) = ( 0.0000000 0.4852941 0.5000000), wk = 0.0032895 k( 176) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0032895 k( 177) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0032895 k( 178) = ( 0.0147059 0.5000000 0.5000000), wk = 0.0032895 k( 179) = ( 0.0294118 0.5000000 0.5000000), wk = 0.0032895 k( 180) = ( 0.0441177 0.5000000 0.5000000), wk = 0.0032895 k( 181) = ( 0.0588235 0.5000000 0.5000000), wk = 0.0032895 k( 182) = ( 0.0735294 0.5000000 0.5000000), wk = 0.0032895 k( 183) = ( 0.0882353 0.5000000 0.5000000), wk = 0.0032895 k( 184) = ( 0.1029412 0.5000000 0.5000000), wk = 0.0032895 k( 185) = ( 0.1176471 0.5000000 0.5000000), wk = 0.0032895 k( 186) = ( 0.1323529 0.5000000 0.5000000), wk = 0.0032895 k( 187) = ( 0.1470588 0.5000000 0.5000000), wk = 0.0032895 k( 188) = ( 0.1617647 0.5000000 0.5000000), wk = 0.0032895 k( 189) = ( 0.1764706 0.5000000 0.5000000), wk = 0.0032895 k( 190) = ( 0.1911765 0.5000000 0.5000000), wk = 0.0032895 k( 191) = ( 0.2058823 0.5000000 0.5000000), wk = 0.0032895 k( 192) = ( 0.2205882 0.5000000 0.5000000), wk = 0.0032895 k( 193) = ( 0.2352941 0.5000000 0.5000000), wk = 0.0032895 k( 194) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0032895 k( 195) = ( 0.2647059 0.5000000 0.5000000), wk = 0.0032895 k( 196) = ( 0.2794118 0.5000000 0.5000000), wk = 0.0032895 k( 197) = ( 0.2941177 0.5000000 0.5000000), wk = 0.0032895 k( 198) = ( 0.3088235 0.5000000 0.5000000), wk = 0.0032895 k( 199) = ( 0.3235294 0.5000000 0.5000000), wk = 0.0032895 k( 200) = ( 0.3382353 0.5000000 0.5000000), wk = 0.0032895 k( 201) = ( 0.3529412 0.5000000 0.5000000), wk = 0.0032895 k( 202) = ( 0.3676471 0.5000000 0.5000000), wk = 0.0032895 k( 203) = ( 0.3823529 0.5000000 0.5000000), wk = 0.0032895 k( 204) = ( 0.3970588 0.5000000 0.5000000), wk = 0.0032895 k( 205) = ( 0.4117647 0.5000000 0.5000000), wk = 0.0032895 k( 206) = ( 0.4264706 0.5000000 0.5000000), wk = 0.0032895 k( 207) = ( 0.4411765 0.5000000 0.5000000), wk = 0.0032895 k( 208) = ( 0.4558823 0.5000000 0.5000000), wk = 0.0032895 k( 209) = ( 0.4705882 0.5000000 0.5000000), wk = 0.0032895 k( 210) = ( 0.4852941 0.5000000 0.5000000), wk = 0.0032895 k( 211) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032895 k( 212) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032895 k( 213) = ( 0.4895833 0.4895833 0.5000000), wk = 0.0032895 k( 214) = ( 0.4791667 0.4791667 0.5000000), wk = 0.0032895 k( 215) = ( 0.4687500 0.4687500 0.5000000), wk = 0.0032895 k( 216) = ( 0.4583333 0.4583333 0.5000000), wk = 0.0032895 k( 217) = ( 0.4479167 0.4479167 0.5000000), wk = 0.0032895 k( 218) = ( 0.4375000 0.4375000 0.5000000), wk = 0.0032895 k( 219) = ( 0.4270833 0.4270833 0.5000000), wk = 0.0032895 k( 220) = ( 0.4166667 0.4166667 0.5000000), wk = 0.0032895 k( 221) = ( 0.4062500 0.4062500 0.5000000), wk = 0.0032895 k( 222) = ( 0.3958333 0.3958333 0.5000000), wk = 0.0032895 k( 223) = ( 0.3854167 0.3854167 0.5000000), wk = 0.0032895 k( 224) = ( 0.3750000 0.3750000 0.5000000), wk = 0.0032895 k( 225) = ( 0.3645833 0.3645833 0.5000000), wk = 0.0032895 k( 226) = ( 0.3541667 0.3541667 0.5000000), wk = 0.0032895 k( 227) = ( 0.3437500 0.3437500 0.5000000), wk = 0.0032895 k( 228) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0032895 k( 229) = ( 0.3229167 0.3229167 0.5000000), wk = 0.0032895 k( 230) = ( 0.3125000 0.3125000 0.5000000), wk = 0.0032895 k( 231) = ( 0.3020833 0.3020833 0.5000000), wk = 0.0032895 k( 232) = ( 0.2916667 0.2916667 0.5000000), wk = 0.0032895 k( 233) = ( 0.2812500 0.2812500 0.5000000), wk = 0.0032895 k( 234) = ( 0.2708333 0.2708333 0.5000000), wk = 0.0032895 k( 235) = ( 0.2604167 0.2604167 0.5000000), wk = 0.0032895 k( 236) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0032895 k( 237) = ( 0.2395833 0.2395833 0.5000000), wk = 0.0032895 k( 238) = ( 0.2291667 0.2291667 0.5000000), wk = 0.0032895 k( 239) = ( 0.2187500 0.2187500 0.5000000), wk = 0.0032895 k( 240) = ( 0.2083333 0.2083333 0.5000000), wk = 0.0032895 k( 241) = ( 0.1979167 0.1979167 0.5000000), wk = 0.0032895 k( 242) = ( 0.1875000 0.1875000 0.5000000), wk = 0.0032895 k( 243) = ( 0.1770833 0.1770833 0.5000000), wk = 0.0032895 k( 244) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0032895 k( 245) = ( 0.1562500 0.1562500 0.5000000), wk = 0.0032895 k( 246) = ( 0.1458333 0.1458333 0.5000000), wk = 0.0032895 k( 247) = ( 0.1354167 0.1354167 0.5000000), wk = 0.0032895 k( 248) = ( 0.1250000 0.1250000 0.5000000), wk = 0.0032895 k( 249) = ( 0.1145833 0.1145833 0.5000000), wk = 0.0032895 k( 250) = ( 0.1041667 0.1041667 0.5000000), wk = 0.0032895 k( 251) = ( 0.0937500 0.0937500 0.5000000), wk = 0.0032895 k( 252) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0032895 k( 253) = ( 0.0729167 0.0729167 0.5000000), wk = 0.0032895 k( 254) = ( 0.0625000 0.0625000 0.5000000), wk = 0.0032895 k( 255) = ( 0.0520833 0.0520833 0.5000000), wk = 0.0032895 k( 256) = ( 0.0416667 0.0416667 0.5000000), wk = 0.0032895 k( 257) = ( 0.0312500 0.0312500 0.5000000), wk = 0.0032895 k( 258) = ( 0.0208333 0.0208333 0.5000000), wk = 0.0032895 k( 259) = ( 0.0104167 0.0104167 0.5000000), wk = 0.0032895 k( 260) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032895 k( 261) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0032895 k( 262) = ( 0.0000000 0.5000000 0.0238095), wk = 0.0032895 k( 263) = ( 0.0000000 0.5000000 0.0476191), wk = 0.0032895 k( 264) = ( 0.0000000 0.5000000 0.0714286), wk = 0.0032895 k( 265) = ( 0.0000000 0.5000000 0.0952381), wk = 0.0032895 k( 266) = ( 0.0000000 0.5000000 0.1190476), wk = 0.0032895 k( 267) = ( 0.0000000 0.5000000 0.1428571), wk = 0.0032895 k( 268) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0032895 k( 269) = ( 0.0000000 0.5000000 0.1904762), wk = 0.0032895 k( 270) = ( 0.0000000 0.5000000 0.2142857), wk = 0.0032895 k( 271) = ( 0.0000000 0.5000000 0.2380952), wk = 0.0032895 k( 272) = ( 0.0000000 0.5000000 0.2619048), wk = 0.0032895 k( 273) = ( 0.0000000 0.5000000 0.2857143), wk = 0.0032895 k( 274) = ( 0.0000000 0.5000000 0.3095238), wk = 0.0032895 k( 275) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0032895 k( 276) = ( 0.0000000 0.5000000 0.3571429), wk = 0.0032895 k( 277) = ( 0.0000000 0.5000000 0.3809524), wk = 0.0032895 k( 278) = ( 0.0000000 0.5000000 0.4047619), wk = 0.0032895 k( 279) = ( 0.0000000 0.5000000 0.4285714), wk = 0.0032895 k( 280) = ( 0.0000000 0.5000000 0.4523810), wk = 0.0032895 k( 281) = ( 0.0000000 0.5000000 0.4761905), wk = 0.0032895 k( 282) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0032895 k( 283) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0032895 k( 284) = ( 0.5000000 0.5000000 0.0238095), wk = 0.0032895 k( 285) = ( 0.5000000 0.5000000 0.0476191), wk = 0.0032895 k( 286) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0032895 k( 287) = ( 0.5000000 0.5000000 0.0952381), wk = 0.0032895 k( 288) = ( 0.5000000 0.5000000 0.1190476), wk = 0.0032895 k( 289) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0032895 k( 290) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0032895 k( 291) = ( 0.5000000 0.5000000 0.1904762), wk = 0.0032895 k( 292) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0032895 k( 293) = ( 0.5000000 0.5000000 0.2380952), wk = 0.0032895 k( 294) = ( 0.5000000 0.5000000 0.2619048), wk = 0.0032895 k( 295) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0032895 k( 296) = ( 0.5000000 0.5000000 0.3095238), wk = 0.0032895 k( 297) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0032895 k( 298) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0032895 k( 299) = ( 0.5000000 0.5000000 0.3809524), wk = 0.0032895 k( 300) = ( 0.5000000 0.5000000 0.4047619), wk = 0.0032895 k( 301) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0032895 k( 302) = ( 0.5000000 0.5000000 0.4523810), wk = 0.0032895 k( 303) = ( 0.5000000 0.5000000 0.4761905), wk = 0.0032895 k( 304) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032895 Dense grid: 142891 G-vectors FFT dimensions: ( 60, 60, 96) Smooth grid: 82707 G-vectors FFT dimensions: ( 45, 45, 75) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.52 Mb ( 592, 58) NL pseudopotentials 0.56 Mb ( 296, 124) Each V/rho on FFT grid 0.16 Mb ( 10800) Each G-vector array 0.03 Mb ( 3972) G-vector shells 0.01 Mb ( 1949) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.10 Mb ( 592, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.22 Mb ( 124, 2, 58) Check: negative/imaginary core charge= -0.000006 0.000000 The potential is recalculated from file : ./NaMgSb.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 2.7 secs Computing kpt #: 2 total cpu time spent up to now is 3.3 secs Computing kpt #: 3 total cpu time spent up to now is 4.0 secs Computing kpt #: 4 total cpu time spent up to now is 4.7 secs Computing kpt #: 5 total cpu time spent up to now is 5.3 secs Computing kpt #: 6 total cpu time spent up to now is 6.0 secs Computing kpt #: 7 total cpu time spent up to now is 6.7 secs Computing kpt #: 8 total cpu time spent up to now is 7.4 secs Computing kpt #: 9 total cpu time spent up to now is 8.1 secs Computing kpt #: 10 total cpu time spent up to now is 8.7 secs Computing kpt #: 11 total cpu time spent up to now is 9.4 secs Computing kpt #: 12 total cpu time spent up to now is 10.1 secs Computing kpt #: 13 total cpu time spent up to now is 10.8 secs Computing kpt #: 14 total cpu time spent up to now is 11.5 secs Computing kpt #: 15 total cpu time spent up to now is 12.1 secs Computing kpt #: 16 total cpu time spent up to now is 12.8 secs Computing kpt #: 17 total cpu time spent up to now is 13.5 secs Computing kpt #: 18 total cpu time spent up to now is 14.1 secs Computing kpt #: 19 total cpu time spent up to now is 14.8 secs Computing kpt #: 20 total cpu time spent up to now is 15.4 secs Computing kpt #: 21 total cpu time spent up to now is 16.1 secs Computing kpt #: 22 total cpu time spent up to now is 16.8 secs Computing kpt #: 23 total cpu time spent up to now is 17.5 secs Computing kpt #: 24 total cpu time spent up to now is 18.2 secs Computing kpt #: 25 total cpu time spent up to now is 18.9 secs Computing kpt #: 26 total cpu time spent up to now is 19.5 secs Computing kpt #: 27 total cpu time spent up to now is 20.2 secs Computing kpt #: 28 total cpu time spent up to now is 20.9 secs Computing kpt #: 29 total cpu time spent up to now is 21.5 secs Computing kpt #: 30 total cpu time spent up to now is 22.2 secs Computing kpt #: 31 total cpu time spent up to now is 22.9 secs Computing kpt #: 32 total cpu time spent up to now is 23.5 secs Computing kpt #: 33 total cpu time spent up to now is 24.2 secs Computing kpt #: 34 total cpu time spent up to now is 24.8 secs Computing kpt #: 35 total cpu time spent up to now is 25.5 secs Computing kpt #: 36 total cpu time spent up to now is 26.1 secs Computing kpt #: 37 total cpu time spent up to now is 26.8 secs Computing kpt #: 38 total cpu time spent up to now is 27.4 secs Computing kpt #: 39 total cpu time spent up to now is 28.1 secs Computing kpt #: 40 total cpu time spent up to now is 28.7 secs Computing kpt #: 41 total cpu time spent up to now is 29.4 secs Computing kpt #: 42 total cpu time spent up to now is 30.0 secs Computing kpt #: 43 total cpu time spent up to now is 30.7 secs Computing kpt #: 44 total cpu time spent up to now is 31.3 secs Computing kpt #: 45 total cpu time spent up to now is 32.0 secs Computing kpt #: 46 total cpu time spent up to now is 32.6 secs Computing kpt #: 47 total cpu time spent up to now is 33.3 secs Computing kpt #: 48 total cpu time spent up to now is 33.9 secs Computing kpt #: 49 total cpu time spent up to now is 34.6 secs Computing kpt #: 50 total cpu time spent up to now is 35.3 secs Computing kpt #: 51 total cpu time spent up to now is 36.0 secs Computing kpt #: 52 total cpu time spent up to now is 36.7 secs Computing kpt #: 53 total cpu time spent up to now is 37.6 secs Computing kpt #: 54 total cpu time spent up to now is 38.5 secs Computing kpt #: 55 total cpu time spent up to now is 39.4 secs Computing kpt #: 56 total cpu time spent up to now is 40.6 secs Computing kpt #: 57 total cpu time spent up to now is 41.5 secs Computing kpt #: 58 total cpu time spent up to now is 42.3 secs Computing kpt #: 59 total cpu time spent up to now is 43.1 secs Computing kpt #: 60 total cpu time spent up to now is 43.9 secs Computing kpt #: 61 total cpu time spent up to now is 44.7 secs Computing kpt #: 62 total cpu time spent up to now is 45.5 secs Computing kpt #: 63 total cpu time spent up to now is 46.4 secs Computing kpt #: 64 total cpu time spent up to now is 47.1 secs Computing kpt #: 65 total cpu time spent up to now is 48.0 secs Computing kpt #: 66 total cpu time spent up to now is 48.8 secs Computing kpt #: 67 total cpu time spent up to now is 49.7 secs Computing kpt #: 68 total cpu time spent up to now is 50.6 secs Computing kpt #: 69 total cpu time spent up to now is 51.8 secs Computing kpt #: 70 total cpu time spent up to now is 52.5 secs Computing kpt #: 71 total cpu time spent up to now is 53.2 secs Computing kpt #: 72 total cpu time spent up to now is 54.3 secs Computing kpt #: 73 total cpu time spent up to now is 55.1 secs Computing kpt #: 74 total cpu time spent up to now is 55.8 secs Computing kpt #: 75 total cpu time spent up to now is 56.6 secs Computing kpt #: 76 total cpu time spent up to now is 57.3 secs Computing kpt #: 77 total cpu time spent up to now is 58.0 secs Computing kpt #: 78 total cpu time spent up to now is 58.8 secs Computing kpt #: 79 total cpu time spent up to now is 59.5 secs Computing kpt #: 80 total cpu time spent up to now is 60.2 secs Computing kpt #: 81 total cpu time spent up to now is 60.9 secs Computing kpt #: 82 total cpu time spent up to now is 61.6 secs Computing kpt #: 83 total cpu time spent up to now is 62.4 secs Computing kpt #: 84 total cpu time spent up to now is 63.1 secs Computing kpt #: 85 total cpu time spent up to now is 63.8 secs Computing kpt #: 86 total cpu time spent up to now is 64.5 secs Computing kpt #: 87 total cpu time spent up to now is 65.2 secs Computing kpt #: 88 total cpu time spent up to now is 65.9 secs Computing kpt #: 89 total cpu time spent up to now is 66.6 secs Computing kpt #: 90 total cpu time spent up to now is 67.2 secs Computing kpt #: 91 total cpu time spent up to now is 67.9 secs Computing kpt #: 92 total cpu time spent up to now is 68.5 secs Computing kpt #: 93 total cpu time spent up to now is 69.1 secs Computing kpt #: 94 total cpu time spent up to now is 69.8 secs Computing kpt #: 95 total cpu time spent up to now is 70.4 secs Computing kpt #: 96 total cpu time spent up to now is 71.0 secs Computing kpt #: 97 total cpu time spent up to now is 71.7 secs Computing kpt #: 98 total cpu time spent up to now is 72.4 secs Computing kpt #: 99 total cpu time spent up to now is 73.0 secs Computing kpt #: 100 total cpu time spent up to now is 73.7 secs Computing kpt #: 101 total cpu time spent up to now is 74.3 secs Computing kpt #: 102 total cpu time spent up to now is 75.0 secs Computing kpt #: 103 total cpu time spent up to now is 75.6 secs Computing kpt #: 104 total cpu time spent up to now is 76.2 secs Computing kpt #: 105 total cpu time spent up to now is 76.9 secs Computing kpt #: 106 total cpu time spent up to now is 77.5 secs Computing kpt #: 107 total cpu time spent up to now is 78.1 secs Computing kpt #: 108 total cpu time spent up to now is 78.8 secs Computing kpt #: 109 total cpu time spent up to now is 79.4 secs Computing kpt #: 110 total cpu time spent up to now is 80.1 secs Computing kpt #: 111 total cpu time spent up to now is 80.7 secs Computing kpt #: 112 total cpu time spent up to now is 81.4 secs Computing kpt #: 113 total cpu time spent up to now is 82.1 secs Computing kpt #: 114 total cpu time spent up to now is 82.8 secs Computing kpt #: 115 total cpu time spent up to now is 83.4 secs Computing kpt #: 116 total cpu time spent up to now is 84.1 secs Computing kpt #: 117 total cpu time spent up to now is 84.7 secs Computing kpt #: 118 total cpu time spent up to now is 85.4 secs Computing kpt #: 119 total cpu time spent up to now is 86.1 secs Computing kpt #: 120 total cpu time spent up to now is 86.9 secs Computing kpt #: 121 total cpu time spent up to now is 87.6 secs Computing kpt #: 122 total cpu time spent up to now is 88.3 secs Computing kpt #: 123 total cpu time spent up to now is 89.0 secs Computing kpt #: 124 total cpu time spent up to now is 89.6 secs Computing kpt #: 125 total cpu time spent up to now is 90.3 secs Computing kpt #: 126 total cpu time spent up to now is 91.0 secs Computing kpt #: 127 total cpu time spent up to now is 91.7 secs Computing kpt #: 128 total cpu time spent up to now is 92.3 secs Computing kpt #: 129 total cpu time spent up to now is 93.0 secs Computing kpt #: 130 total cpu time spent up to now is 93.6 secs Computing kpt #: 131 total cpu time spent up to now is 94.3 secs Computing kpt #: 132 total cpu time spent up to now is 95.0 secs Computing kpt #: 133 total cpu time spent up to now is 95.6 secs Computing kpt #: 134 total cpu time spent up to now is 96.3 secs Computing kpt #: 135 total cpu time spent up to now is 97.0 secs Computing kpt #: 136 total cpu time spent up to now is 97.6 secs Computing kpt #: 137 total cpu time spent up to now is 98.3 secs Computing kpt #: 138 total cpu time spent up to now is 98.9 secs Computing kpt #: 139 total cpu time spent up to now is 99.6 secs Computing kpt #: 140 total cpu time spent up to now is 100.3 secs Computing kpt #: 141 total cpu time spent up to now is 101.0 secs Computing kpt #: 142 total cpu time spent up to now is 101.7 secs Computing kpt #: 143 total cpu time spent up to now is 102.3 secs Computing kpt #: 144 total cpu time spent up to now is 103.0 secs Computing kpt #: 145 total cpu time spent up to now is 103.6 secs Computing kpt #: 146 total cpu time spent up to now is 104.3 secs Computing kpt #: 147 total cpu time spent up to now is 104.9 secs Computing kpt #: 148 total cpu time spent up to now is 105.6 secs Computing kpt #: 149 total cpu time spent up to now is 106.3 secs Computing kpt #: 150 total cpu time spent up to now is 107.0 secs Computing kpt #: 151 total cpu time spent up to now is 107.6 secs Computing kpt #: 152 total cpu time spent up to now is 108.3 secs Computing kpt #: 153 total cpu time spent up to now is 109.1 secs Computing kpt #: 154 total cpu time spent up to now is 109.9 secs Computing kpt #: 155 total cpu time spent up to now is 110.5 secs Computing kpt #: 156 total cpu time spent up to now is 111.2 secs Computing kpt #: 157 total cpu time spent up to now is 111.8 secs Computing kpt #: 158 total cpu time spent up to now is 112.4 secs Computing kpt #: 159 total cpu time spent up to now is 113.1 secs Computing kpt #: 160 total cpu time spent up to now is 113.7 secs Computing kpt #: 161 total cpu time spent up to now is 114.4 secs Computing kpt #: 162 total cpu time spent up to now is 115.0 secs Computing kpt #: 163 total cpu time spent up to now is 115.7 secs Computing kpt #: 164 total cpu time spent up to now is 116.3 secs Computing kpt #: 165 total cpu time spent up to now is 117.0 secs Computing kpt #: 166 total cpu time spent up to now is 117.6 secs Computing kpt #: 167 total cpu time spent up to now is 118.3 secs Computing kpt #: 168 total cpu time spent up to now is 118.9 secs Computing kpt #: 169 total cpu time spent up to now is 119.6 secs Computing kpt #: 170 total cpu time spent up to now is 120.2 secs Computing kpt #: 171 total cpu time spent up to now is 120.9 secs Computing kpt #: 172 total cpu time spent up to now is 121.5 secs Computing kpt #: 173 total cpu time spent up to now is 122.2 secs Computing kpt #: 174 total cpu time spent up to now is 122.8 secs Computing kpt #: 175 total cpu time spent up to now is 123.5 secs Computing kpt #: 176 total cpu time spent up to now is 124.1 secs Computing kpt #: 177 total cpu time spent up to now is 124.8 secs Computing kpt #: 178 total cpu time spent up to now is 125.4 secs Computing kpt #: 179 total cpu time spent up to now is 126.1 secs Computing kpt #: 180 total cpu time spent up to now is 126.7 secs Computing kpt #: 181 total cpu time spent up to now is 127.3 secs Computing kpt #: 182 total cpu time spent up to now is 128.0 secs Computing kpt #: 183 total cpu time spent up to now is 128.8 secs Computing kpt #: 184 total cpu time spent up to now is 129.5 secs Computing kpt #: 185 total cpu time spent up to now is 130.3 secs Computing kpt #: 186 total cpu time spent up to now is 131.1 secs Computing kpt #: 187 total cpu time spent up to now is 131.8 secs Computing kpt #: 188 total cpu time spent up to now is 132.6 secs Computing kpt #: 189 total cpu time spent up to now is 133.4 secs Computing kpt #: 190 total cpu time spent up to now is 134.2 secs Computing kpt #: 191 total cpu time spent up to now is 134.9 secs Computing kpt #: 192 total cpu time spent up to now is 135.6 secs Computing kpt #: 193 total cpu time spent up to now is 136.7 secs Computing kpt #: 194 total cpu time spent up to now is 137.5 secs Computing kpt #: 195 total cpu time spent up to now is 138.2 secs Computing kpt #: 196 total cpu time spent up to now is 139.0 secs Computing kpt #: 197 total cpu time spent up to now is 139.6 secs Computing kpt #: 198 total cpu time spent up to now is 140.6 secs Computing kpt #: 199 total cpu time spent up to now is 141.4 secs Computing kpt #: 200 total cpu time spent up to now is 142.1 secs Computing kpt #: 201 total cpu time spent up to now is 142.9 secs Computing kpt #: 202 total cpu time spent up to now is 143.6 secs Computing kpt #: 203 total cpu time spent up to now is 144.4 secs Computing kpt #: 204 total cpu time spent up to now is 145.1 secs Computing kpt #: 205 total cpu time spent up to now is 145.9 secs Computing kpt #: 206 total cpu time spent up to now is 146.7 secs Computing kpt #: 207 total cpu time spent up to now is 147.3 secs Computing kpt #: 208 total cpu time spent up to now is 148.1 secs Computing kpt #: 209 total cpu time spent up to now is 148.9 secs Computing kpt #: 210 total cpu time spent up to now is 149.6 secs Computing kpt #: 211 total cpu time spent up to now is 150.2 secs Computing kpt #: 212 total cpu time spent up to now is 150.9 secs Computing kpt #: 213 total cpu time spent up to now is 151.6 secs Computing kpt #: 214 total cpu time spent up to now is 152.2 secs Computing kpt #: 215 total cpu time spent up to now is 152.8 secs Computing kpt #: 216 total cpu time spent up to now is 153.5 secs Computing kpt #: 217 total cpu time spent up to now is 154.1 secs Computing kpt #: 218 total cpu time spent up to now is 154.7 secs Computing kpt #: 219 total cpu time spent up to now is 155.3 secs Computing kpt #: 220 total cpu time spent up to now is 156.0 secs Computing kpt #: 221 total cpu time spent up to now is 156.6 secs Computing kpt #: 222 total cpu time spent up to now is 157.2 secs Computing kpt #: 223 total cpu time spent up to now is 157.9 secs Computing kpt #: 224 total cpu time spent up to now is 158.5 secs Computing kpt #: 225 total cpu time spent up to now is 159.1 secs Computing kpt #: 226 total cpu time spent up to now is 159.8 secs Computing kpt #: 227 total cpu time spent up to now is 160.4 secs Computing kpt #: 228 total cpu time spent up to now is 161.0 secs Computing kpt #: 229 total cpu time spent up to now is 161.6 secs Computing kpt #: 230 total cpu time spent up to now is 162.3 secs Computing kpt #: 231 total cpu time spent up to now is 162.9 secs Computing kpt #: 232 total cpu time spent up to now is 163.5 secs Computing kpt #: 233 total cpu time spent up to now is 164.2 secs Computing kpt #: 234 total cpu time spent up to now is 164.8 secs Computing kpt #: 235 total cpu time spent up to now is 165.4 secs Computing kpt #: 236 total cpu time spent up to now is 166.1 secs Computing kpt #: 237 total cpu time spent up to now is 166.7 secs Computing kpt #: 238 total cpu time spent up to now is 167.3 secs Computing kpt #: 239 total cpu time spent up to now is 168.0 secs Computing kpt #: 240 total cpu time spent up to now is 168.6 secs Computing kpt #: 241 total cpu time spent up to now is 169.2 secs Computing kpt #: 242 total cpu time spent up to now is 169.8 secs Computing kpt #: 243 total cpu time spent up to now is 170.5 secs Computing kpt #: 244 total cpu time spent up to now is 171.1 secs Computing kpt #: 245 total cpu time spent up to now is 171.7 secs Computing kpt #: 246 total cpu time spent up to now is 172.3 secs Computing kpt #: 247 total cpu time spent up to now is 173.0 secs Computing kpt #: 248 total cpu time spent up to now is 173.6 secs Computing kpt #: 249 total cpu time spent up to now is 174.4 secs Computing kpt #: 250 total cpu time spent up to now is 175.0 secs Computing kpt #: 251 total cpu time spent up to now is 175.7 secs Computing kpt #: 252 total cpu time spent up to now is 176.9 secs Computing kpt #: 253 total cpu time spent up to now is 177.5 secs Computing kpt #: 254 total cpu time spent up to now is 178.2 secs Computing kpt #: 255 total cpu time spent up to now is 178.8 secs Computing kpt #: 256 total cpu time spent up to now is 179.5 secs Computing kpt #: 257 total cpu time spent up to now is 180.2 secs Computing kpt #: 258 total cpu time spent up to now is 180.9 secs Computing kpt #: 259 total cpu time spent up to now is 181.5 secs Computing kpt #: 260 total cpu time spent up to now is 182.2 secs Computing kpt #: 261 total cpu time spent up to now is 182.9 secs Computing kpt #: 262 total cpu time spent up to now is 183.5 secs Computing kpt #: 263 total cpu time spent up to now is 184.2 secs Computing kpt #: 264 total cpu time spent up to now is 184.8 secs Computing kpt #: 265 total cpu time spent up to now is 185.5 secs Computing kpt #: 266 total cpu time spent up to now is 186.1 secs Computing kpt #: 267 total cpu time spent up to now is 186.8 secs Computing kpt #: 268 total cpu time spent up to now is 187.4 secs Computing kpt #: 269 total cpu time spent up to now is 188.1 secs Computing kpt #: 270 total cpu time spent up to now is 188.7 secs Computing kpt #: 271 total cpu time spent up to now is 189.4 secs Computing kpt #: 272 total cpu time spent up to now is 190.0 secs Computing kpt #: 273 total cpu time spent up to now is 190.6 secs Computing kpt #: 274 total cpu time spent up to now is 191.2 secs Computing kpt #: 275 total cpu time spent up to now is 191.9 secs Computing kpt #: 276 total cpu time spent up to now is 192.5 secs Computing kpt #: 277 total cpu time spent up to now is 193.1 secs Computing kpt #: 278 total cpu time spent up to now is 193.7 secs Computing kpt #: 279 total cpu time spent up to now is 194.3 secs Computing kpt #: 280 total cpu time spent up to now is 195.0 secs Computing kpt #: 281 total cpu time spent up to now is 195.6 secs Computing kpt #: 282 total cpu time spent up to now is 196.2 secs Computing kpt #: 283 total cpu time spent up to now is 196.9 secs Computing kpt #: 284 total cpu time spent up to now is 197.7 secs Computing kpt #: 285 total cpu time spent up to now is 198.4 secs Computing kpt #: 286 total cpu time spent up to now is 199.0 secs Computing kpt #: 287 total cpu time spent up to now is 199.7 secs Computing kpt #: 288 total cpu time spent up to now is 200.4 secs Computing kpt #: 289 total cpu time spent up to now is 201.1 secs Computing kpt #: 290 total cpu time spent up to now is 201.8 secs Computing kpt #: 291 total cpu time spent up to now is 202.5 secs Computing kpt #: 292 total cpu time spent up to now is 203.1 secs Computing kpt #: 293 total cpu time spent up to now is 203.8 secs Computing kpt #: 294 total cpu time spent up to now is 204.5 secs Computing kpt #: 295 total cpu time spent up to now is 205.1 secs Computing kpt #: 296 total cpu time spent up to now is 205.8 secs Computing kpt #: 297 total cpu time spent up to now is 206.5 secs Computing kpt #: 298 total cpu time spent up to now is 207.1 secs Computing kpt #: 299 total cpu time spent up to now is 207.8 secs Computing kpt #: 300 total cpu time spent up to now is 208.4 secs Computing kpt #: 301 total cpu time spent up to now is 209.1 secs Computing kpt #: 302 total cpu time spent up to now is 209.7 secs Computing kpt #: 303 total cpu time spent up to now is 210.3 secs Computing kpt #: 304 total cpu time spent up to now is 211.0 secs ethr = 2.08E-08, avg # of iterations = 16.7 total cpu time spent up to now is 211.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 10385 PWs) bands (ev): -71.6562 -71.6562 -71.6549 -71.6549 -48.2315 -48.2315 -48.2309 -48.2309 -38.6053 -38.6053 -38.5989 -38.5989 -38.3195 -38.3195 -38.3153 -38.3153 -38.3133 -38.3133 -38.3081 -38.3081 -20.2756 -20.2756 -20.2698 -20.2698 -20.0993 -20.0993 -20.0950 -20.0950 -20.0938 -20.0938 -20.0883 -20.0883 -5.1671 -5.1671 -4.1898 -4.1898 0.6089 0.6089 2.5833 2.5833 2.8492 2.8492 3.4674 3.4674 4.0456 4.0456 4.2822 4.2822 5.2818 5.2818 5.3124 5.3124 5.8463 5.8463 7.8869 7.8869 8.2533 8.2533 k = 0.0000 0.0147-0.0000 ( 10377 PWs) bands (ev): -71.6562 -71.6562 -71.6549 -71.6549 -48.2315 -48.2315 -48.2309 -48.2309 -38.6052 -38.6052 -38.5989 -38.5989 -38.3194 -38.3194 -38.3153 -38.3153 -38.3133 -38.3133 -38.3082 -38.3082 -20.2756 -20.2756 -20.2698 -20.2698 -20.0993 -20.0993 -20.0950 -20.0950 -20.0938 -20.0938 -20.0883 -20.0883 -5.1661 -5.1661 -4.1896 -4.1896 0.6099 0.6099 2.5779 2.5779 2.8429 2.8429 3.4686 3.4686 4.0411 4.0411 4.2726 4.2726 5.2949 5.2949 5.3189 5.3189 5.8540 5.8540 7.8923 7.8923 8.2493 8.2493 k = 0.0000 0.0294-0.0000 ( 10379 PWs) bands (ev): -71.6562 -71.6562 -71.6549 -71.6549 -48.2315 -48.2315 -48.2309 -48.2309 -38.6052 -38.6052 -38.5990 -38.5990 -38.3193 -38.3193 -38.3153 -38.3153 -38.3133 -38.3133 -38.3082 -38.3082 -20.2756 -20.2756 -20.2698 -20.2698 -20.0993 -20.0993 -20.0950 -20.0950 -20.0938 -20.0938 -20.0883 -20.0883 -5.1632 -5.1632 -4.1887 -4.1887 0.6129 0.6129 2.5605 2.5605 2.8267 2.8267 3.4708 3.4708 4.0260 4.0260 4.2487 4.2487 5.3217 5.3217 5.3475 5.3475 5.8774 5.8774 7.9081 7.9081 8.2345 8.2345 k = 0.0000 0.0441-0.0000 ( 10369 PWs) bands (ev): -71.6562 -71.6562 -71.6549 -71.6549 -48.2315 -48.2315 -48.2309 -48.2309 -38.6052 -38.6052 -38.5989 -38.5989 -38.3193 -38.3193 -38.3153 -38.3153 -38.3133 -38.3133 -38.3083 -38.3083 -20.2756 -20.2756 -20.2698 -20.2698 -20.0993 -20.0993 -20.0951 -20.0951 -20.0937 -20.0937 -20.0883 -20.0883 -5.1584 -5.1584 -4.1874 -4.1874 0.6179 0.6179 2.5275 2.5275 2.8078 2.8078 3.4705 3.4705 3.9962 3.9962 4.2213 4.2213 5.3454 5.3454 5.4068 5.4068 5.9176 5.9176 7.9343 7.9343 8.2043 8.2043 k = 0.0000 0.0588-0.0000 ( 10361 PWs) bands (ev): -71.6561 -71.6561 -71.6549 -71.6549 -48.2315 -48.2315 -48.2309 -48.2309 -38.6052 -38.6052 -38.5989 -38.5989 -38.3192 -38.3192 -38.3153 -38.3153 -38.3133 -38.3133 -38.3083 -38.3083 -20.2756 -20.2756 -20.2698 -20.2698 -20.0993 -20.0993 -20.0951 -20.0951 -20.0937 -20.0937 -20.0883 -20.0883 -5.1517 -5.1517 -4.1855 -4.1855 0.6249 0.6249 2.4764 2.4764 2.7929 2.7929 3.4629 3.4629 3.9506 3.9506 4.2002 4.2002 5.3711 5.3711 5.4824 5.4824 5.9757 5.9757 7.9701 7.9701 8.1595 8.1595 k = 0.0000 0.0735-0.0000 ( 10347 PWs) bands (ev): -71.6561 -71.6561 -71.6549 -71.6549 -48.2315 -48.2315 -48.2309 -48.2309 -38.6051 -38.6051 -38.5989 -38.5989 -38.3191 -38.3191 -38.3152 -38.3152 -38.3133 -38.3133 -38.3083 -38.3083 -20.2755 -20.2755 -20.2698 -20.2698 -20.0992 -20.0992 -20.0952 -20.0952 -20.0936 -20.0936 -20.0883 -20.0883 -5.1431 -5.1431 -4.1832 -4.1832 0.6337 0.6337 2.4080 2.4080 2.7853 2.7853 3.4431 3.4431 3.8952 3.8952 4.1875 4.1875 5.3985 5.3985 5.5665 5.5665 6.0524 6.0524 8.0146 8.0146 8.1047 8.1047 k = 0.0000 0.0882-0.0000 ( 10333 PWs) bands (ev): -71.6561 -71.6561 -71.6550 -71.6550 -48.2315 -48.2315 -48.2309 -48.2309 -38.6051 -38.6051 -38.5989 -38.5989 -38.3191 -38.3191 -38.3152 -38.3152 -38.3133 -38.3133 -38.3083 -38.3083 -20.2755 -20.2755 -20.2698 -20.2698 -20.0992 -20.0992 -20.0952 -20.0952 -20.0935 -20.0935 -20.0883 -20.0883 -5.1326 -5.1326 -4.1805 -4.1805 0.6444 0.6444 2.3259 2.3259 2.7848 2.7848 3.4063 3.4063 3.8396 3.8396 4.1808 4.1808 5.4261 5.4261 5.6548 5.6548 6.1478 6.1478 8.0392 8.0392 8.0713 8.0713 k = 0.0000 0.1029-0.0000 ( 10329 PWs) bands (ev): -71.6561 -71.6561 -71.6550 -71.6550 -48.2315 -48.2315 -48.2309 -48.2309 -38.6050 -38.6050 -38.5990 -38.5990 -38.3190 -38.3190 -38.3152 -38.3152 -38.3133 -38.3133 -38.3084 -38.3084 -20.2754 -20.2754 -20.2699 -20.2699 -20.0992 -20.0992 -20.0953 -20.0953 -20.0935 -20.0935 -20.0883 -20.0883 -5.1202 -5.1202 -4.1774 -4.1774 0.6568 0.6568 2.2344 2.2344 2.7899 2.7899 3.3499 3.3499 3.7913 3.7913 4.1770 4.1770 5.4533 5.4533 5.7443 5.7443 6.2607 6.2607 7.9770 7.9770 8.1277 8.1277 k = 0.0000 0.1176-0.0000 ( 10321 PWs) bands (ev): -71.6561 -71.6561 -71.6550 -71.6550 -48.2315 -48.2315 -48.2309 -48.2309 -38.6050 -38.6050 -38.5990 -38.5990 -38.3189 -38.3189 -38.3152 -38.3152 -38.3133 -38.3133 -38.3084 -38.3084 -20.2754 -20.2754 -20.2699 -20.2699 -20.0991 -20.0991 -20.0954 -20.0954 -20.0934 -20.0934 -20.0884 -20.0884 -5.1061 -5.1061 -4.1740 -4.1740 0.6708 0.6708 2.1367 2.1367 2.7994 2.7994 3.2753 3.2753 3.7523 3.7523 4.1745 4.1745 5.4798 5.4798 5.8332 5.8332 6.3897 6.3897 7.9121 7.9121 8.1898 8.1898 k = 0.0000 0.1324-0.0000 ( 10321 PWs) bands (ev): -71.6561 -71.6561 -71.6550 -71.6550 -48.2315 -48.2315 -48.2309 -48.2309 -38.6049 -38.6049 -38.5991 -38.5991 -38.3188 -38.3188 -38.3152 -38.3152 -38.3133 -38.3133 -38.3085 -38.3085 -20.2753 -20.2753 -20.2700 -20.2700 -20.0991 -20.0991 -20.0955 -20.0955 -20.0933 -20.0933 -20.0885 -20.0885 -5.0902 -5.0902 -4.1704 -4.1704 0.6863 0.6863 2.0354 2.0354 2.8124 2.8124 3.1870 3.1870 3.7205 3.7205 4.1722 4.1722 5.5059 5.5059 5.9204 5.9204 6.5327 6.5327 7.8485 7.8485 8.2527 8.2527 k = 0.0000 0.1471-0.0000 ( 10323 PWs) bands (ev): -71.6561 -71.6561 -71.6550 -71.6550 -48.2315 -48.2315 -48.2309 -48.2309 -38.6048 -38.6048 -38.5991 -38.5991 -38.3187 -38.3187 -38.3152 -38.3152 -38.3133 -38.3133 -38.3086 -38.3086 -20.2753 -20.2753 -20.2701 -20.2701 -20.0991 -20.0991 -20.0955 -20.0955 -20.0932 -20.0932 -20.0886 -20.0886 -5.0725 -5.0725 -4.1668 -4.1668 0.7031 0.7031 1.9325 1.9325 2.8282 2.8282 3.0902 3.0902 3.6928 3.6928 4.1693 4.1693 5.5322 5.5322 6.0050 6.0050 6.6878 6.6878 7.7879 7.7879 8.3123 8.3123 k = 0.0000 0.1618-0.0000 ( 10335 PWs) bands (ev): -71.6561 -71.6561 -71.6550 -71.6550 -48.2315 -48.2315 -48.2309 -48.2309 -38.6048 -38.6048 -38.5992 -38.5992 -38.3186 -38.3186 -38.3152 -38.3152 -38.3134 -38.3134 -38.3088 -38.3088 -20.2753 -20.2753 -20.2702 -20.2702 -20.0990 -20.0990 -20.0957 -20.0957 -20.0932 -20.0932 -20.0887 -20.0887 -5.0532 -5.0532 -4.1631 -4.1631 0.7210 0.7210 1.8293 1.8293 2.8460 2.8460 2.9891 2.9891 3.6663 3.6663 4.1657 4.1657 5.5589 5.5589 6.0870 6.0870 6.8533 6.8533 7.7313 7.7313 8.3646 8.3646 k = 0.0000 0.1765-0.0000 ( 10339 PWs) bands (ev): -71.6561 -71.6561 -71.6550 -71.6550 -48.2315 -48.2315 -48.2309 -48.2309 -38.6048 -38.6048 -38.5993 -38.5993 -38.3185 -38.3185 -38.3152 -38.3152 -38.3134 -38.3134 -38.3089 -38.3089 -20.2752 -20.2752 -20.2703 -20.2703 -20.0990 -20.0990 -20.0958 -20.0958 -20.0931 -20.0931 -20.0888 -20.0888 -5.0322 -5.0322 -4.1595 -4.1595 0.7397 0.7397 1.7271 1.7271 2.8585 2.8585 2.8940 2.8940 3.6391 3.6391 4.1611 4.1611 5.5866 5.5866 6.1661 6.1661 7.0275 7.0275 7.6799 7.6799 8.3924 8.3924 k = 0.0000 0.1912-0.0000 ( 10345 PWs) bands (ev): -71.6560 -71.6560 -71.6550 -71.6550 -48.2314 -48.2314 -48.2309 -48.2309 -38.6047 -38.6047 -38.5994 -38.5994 -38.3184 -38.3184 -38.3152 -38.3152 -38.3134 -38.3134 -38.3091 -38.3091 -20.2752 -20.2752 -20.2704 -20.2704 -20.0990 -20.0990 -20.0959 -20.0959 -20.0930 -20.0930 -20.0889 -20.0889 -5.0097 -5.0097 -4.1561 -4.1561 0.7589 0.7589 1.6267 1.6267 2.7785 2.7785 2.8940 2.8940 3.6099 3.6099 4.1553 4.1553 5.6157 5.6157 6.2427 6.2427 7.2089 7.2089 7.6343 7.6343 8.4066 8.4066 k = 0.0000 0.2059-0.0000 ( 10339 PWs) bands (ev): -71.6560 -71.6560 -71.6551 -71.6551 -48.2314 -48.2314 -48.2309 -48.2309 -38.6046 -38.6046 -38.5994 -38.5994 -38.3182 -38.3182 -38.3151 -38.3151 -38.3135 -38.3135 -38.3092 -38.3092 -20.2751 -20.2751 -20.2705 -20.2705 -20.0990 -20.0990 -20.0960 -20.0960 -20.0929 -20.0929 -20.0889 -20.0889 -4.9857 -4.9857 -4.1531 -4.1531 0.7782 0.7782 1.5290 1.5290 2.6788 2.6788 2.9178 2.9178 3.5781 3.5781 4.1485 4.1485 5.6463 5.6463 6.3167 6.3167 7.3960 7.3960 7.5951 7.5951 8.4204 8.4204 k = 0.0000 0.2206-0.0000 ( 10343 PWs) bands (ev): -71.6560 -71.6560 -71.6551 -71.6551 -48.2314 -48.2314 -48.2309 -48.2309 -38.6045 -38.6045 -38.5996 -38.5996 -38.3180 -38.3180 -38.3151 -38.3151 -38.3135 -38.3135 -38.3094 -38.3094 -20.2751 -20.2751 -20.2706 -20.2706 -20.0989 -20.0989 -20.0961 -20.0961 -20.0929 -20.0929 -20.0890 -20.0890 -4.9603 -4.9603 -4.1506 -4.1506 0.7969 0.7969 1.4346 1.4346 2.5819 2.5819 2.9442 2.9442 3.5430 3.5430 4.1404 4.1404 5.6789 5.6789 6.3886 6.3886 7.5626 7.5626 7.5873 7.5873 8.4301 8.4301 k = 0.0000 0.2353-0.0000 ( 10323 PWs) bands (ev): -71.6560 -71.6560 -71.6551 -71.6551 -48.2314 -48.2314 -48.2309 -48.2309 -38.6044 -38.6044 -38.5996 -38.5996 -38.3178 -38.3178 -38.3150 -38.3150 -38.3135 -38.3135 -38.3095 -38.3095 -20.2750 -20.2750 -20.2707 -20.2707 -20.0989 -20.0989 -20.0961 -20.0961 -20.0928 -20.0928 -20.0891 -20.0891 -4.9335 -4.9335 -4.1488 -4.1488 0.8146 0.8146 1.3442 1.3442 2.4896 2.4896 2.9724 2.9724 3.5046 3.5046 4.1310 4.1310 5.7135 5.7135 6.4584 6.4584 7.5371 7.5371 7.7809 7.7809 8.4162 8.4162 k = 0.0000 0.2500-0.0000 ( 10321 PWs) bands (ev): -71.6560 -71.6560 -71.6551 -71.6551 -48.2314 -48.2314 -48.2309 -48.2309 -38.6042 -38.6042 -38.5997 -38.5997 -38.3176 -38.3176 -38.3150 -38.3150 -38.3135 -38.3135 -38.3097 -38.3097 -20.2749 -20.2749 -20.2708 -20.2708 -20.0988 -20.0988 -20.0962 -20.0962 -20.0927 -20.0927 -20.0892 -20.0892 -4.9055 -4.9055 -4.1477 -4.1477 0.8303 0.8303 1.2583 1.2583 2.4033 2.4033 3.0021 3.0021 3.4627 3.4627 4.1203 4.1203 5.7504 5.7504 6.5265 6.5265 7.5187 7.5187 7.9738 7.9738 8.3845 8.3845 k = 0.0000 0.2647-0.0000 ( 10321 PWs) bands (ev): -71.6560 -71.6560 -71.6551 -71.6551 -48.2314 -48.2314 -48.2310 -48.2310 -38.6041 -38.6041 -38.5998 -38.5998 -38.3174 -38.3174 -38.3150 -38.3150 -38.3136 -38.3136 -38.3099 -38.3099 -20.2748 -20.2748 -20.2709 -20.2709 -20.0988 -20.0988 -20.0963 -20.0963 -20.0926 -20.0926 -20.0893 -20.0893 -4.8763 -4.8763 -4.1475 -4.1475 0.8430 0.8430 1.1777 1.1777 2.3241 2.3241 3.0329 3.0329 3.4175 3.4175 4.1082 4.1082 5.7898 5.7898 6.5929 6.5929 7.5073 7.5073 8.1599 8.1599 8.3436 8.3436 k = 0.0000 0.2794-0.0000 ( 10327 PWs) bands (ev): -71.6559 -71.6559 -71.6552 -71.6552 -48.2314 -48.2314 -48.2310 -48.2310 -38.6041 -38.6041 -38.5999 -38.5999 -38.3173 -38.3173 -38.3150 -38.3150 -38.3136 -38.3136 -38.3101 -38.3101 -20.2748 -20.2748 -20.2710 -20.2710 -20.0987 -20.0987 -20.0964 -20.0964 -20.0925 -20.0925 -20.0894 -20.0894 -4.8461 -4.8461 -4.1485 -4.1485 0.8514 0.8514 1.1033 1.1033 2.2534 2.2534 3.0644 3.0644 3.3697 3.3697 4.0946 4.0946 5.8316 5.8316 6.6576 6.6576 7.5029 7.5029 8.2715 8.2715 8.3501 8.3501 k = 0.0000 0.2941-0.0000 ( 10329 PWs) bands (ev): -71.6559 -71.6559 -71.6552 -71.6552 -48.2314 -48.2314 -48.2310 -48.2310 -38.6039 -38.6039 -38.6001 -38.6001 -38.3171 -38.3171 -38.3149 -38.3149 -38.3137 -38.3137 -38.3103 -38.3103 -20.2747 -20.2747 -20.2712 -20.2712 -20.0987 -20.0987 -20.0965 -20.0965 -20.0925 -20.0925 -20.0895 -20.0895 -4.8149 -4.8149 -4.1506 -4.1506 0.8534 0.8534 1.0364 1.0364 2.1922 2.1922 3.0954 3.0954 3.3203 3.3203 4.0794 4.0794 5.8760 5.8760 6.7205 6.7205 7.5052 7.5052 8.2232 8.2232 8.4374 8.4374 k = 0.0000 0.3088-0.0000 ( 10323 PWs) bands (ev): -71.6559 -71.6559 -71.6552 -71.6552 -48.2313 -48.2313 -48.2310 -48.2310 -38.6038 -38.6038 -38.6002 -38.6002 -38.3168 -38.3168 -38.3149 -38.3149 -38.3137 -38.3137 -38.3105 -38.3105 -20.2746 -20.2746 -20.2713 -20.2713 -20.0986 -20.0986 -20.0966 -20.0966 -20.0924 -20.0924 -20.0896 -20.0896 -4.7829 -4.7829 -4.1542 -4.1542 0.8461 0.8461 0.9796 0.9796 2.1418 2.1418 3.1223 3.1223 3.2733 3.2733 4.0625 4.0625 5.9231 5.9231 6.7811 6.7811 7.5141 7.5141 8.1621 8.1621 8.4411 8.4411 k = 0.0000 0.3235-0.0000 ( 10321 PWs) bands (ev): -71.6559 -71.6559 -71.6552 -71.6552 -48.2313 -48.2313 -48.2310 -48.2310 -38.6036 -38.6036 -38.6004 -38.6004 -38.3166 -38.3166 -38.3148 -38.3148 -38.3138 -38.3138 -38.3108 -38.3108 -20.2745 -20.2745 -20.2714 -20.2714 -20.0986 -20.0986 -20.0967 -20.0967 -20.0923 -20.0923 -20.0898 -20.0898 -4.7503 -4.7503 -4.1592 -4.1592 0.8258 0.8258 0.9359 0.9359 2.1029 2.1029 3.1315 3.1315 3.2422 3.2422 4.0439 4.0439 5.9728 5.9728 6.8389 6.8389 7.5291 7.5291 8.0986 8.0986 8.3893 8.3893 k = 0.0000 0.3382-0.0000 ( 10329 PWs) bands (ev): -71.6558 -71.6558 -71.6552 -71.6552 -48.2313 -48.2313 -48.2310 -48.2310 -38.6035 -38.6035 -38.6005 -38.6005 -38.3164 -38.3164 -38.3148 -38.3148 -38.3139 -38.3139 -38.3110 -38.3110 -20.2744 -20.2744 -20.2716 -20.2716 -20.0985 -20.0985 -20.0968 -20.0968 -20.0922 -20.0922 -20.0899 -20.0899 -4.7171 -4.7171 -4.1659 -4.1659 0.7934 0.7934 0.9045 0.9045 2.0761 2.0761 3.1025 3.1025 3.2481 3.2481 4.0234 4.0234 6.0250 6.0250 6.8927 6.8927 7.5499 7.5499 8.0361 8.0361 8.3430 8.3430 k = 0.0000 0.3529-0.0000 ( 10339 PWs) bands (ev): -71.6558 -71.6558 -71.6553 -71.6553 -48.2313 -48.2313 -48.2310 -48.2310 -38.6034 -38.6034 -38.6006 -38.6006 -38.3162 -38.3162 -38.3148 -38.3148 -38.3139 -38.3139 -38.3112 -38.3112 -20.2743 -20.2743 -20.2717 -20.2717 -20.0985 -20.0985 -20.0969 -20.0969 -20.0921 -20.0921 -20.0900 -20.0900 -4.6835 -4.6835 -4.1743 -4.1743 0.7557 0.7557 0.8787 0.8787 2.0616 2.0616 3.0497 3.0497 3.2766 3.2766 4.0010 4.0010 6.0799 6.0799 6.9408 6.9408 7.5758 7.5758 7.9780 7.9780 8.3035 8.3035 k = 0.0000 0.3676-0.0000 ( 10341 PWs) bands (ev): -71.6558 -71.6558 -71.6553 -71.6553 -48.2313 -48.2313 -48.2310 -48.2310 -38.6033 -38.6033 -38.6007 -38.6007 -38.3160 -38.3160 -38.3147 -38.3147 -38.3139 -38.3139 -38.3115 -38.3115 -20.2742 -20.2742 -20.2719 -20.2719 -20.0984 -20.0984 -20.0970 -20.0970 -20.0920 -20.0920 -20.0902 -20.0902 -4.6497 -4.6497 -4.1845 -4.1845 0.7188 0.7188 0.8533 0.8533 2.0589 2.0589 2.9888 2.9888 3.3123 3.3123 3.9767 3.9767 6.1372 6.1372 6.9809 6.9809 7.6061 7.6061 7.9280 7.9280 8.2708 8.2708 k = 0.0000 0.3824-0.0000 ( 10359 PWs) bands (ev): -71.6558 -71.6558 -71.6553 -71.6553 -48.2313 -48.2313 -48.2311 -48.2311 -38.6032 -38.6032 -38.6009 -38.6009 -38.3158 -38.3158 -38.3147 -38.3147 -38.3140 -38.3140 -38.3117 -38.3117 -20.2741 -20.2741 -20.2721 -20.2721 -20.0984 -20.0984 -20.0971 -20.0971 -20.0920 -20.0920 -20.0903 -20.0903 -4.6157 -4.6157 -4.1967 -4.1967 0.6856 0.6856 0.8262 0.8262 2.0672 2.0672 2.9245 2.9245 3.3509 3.3509 3.9504 3.9504 6.1970 6.1970 7.0099 7.0099 7.6397 7.6397 7.8907 7.8907 8.2448 8.2448 k = 0.0000 0.3971-0.0000 ( 10353 PWs) bands (ev): -71.6557 -71.6557 -71.6553 -71.6553 -48.2313 -48.2313 -48.2311 -48.2311 -38.6031 -38.6031 -38.6010 -38.6010 -38.3156 -38.3156 -38.3147 -38.3147 -38.3140 -38.3140 -38.3120 -38.3120 -20.2740 -20.2740 -20.2722 -20.2722 -20.0983 -20.0983 -20.0972 -20.0972 -20.0919 -20.0919 -20.0904 -20.0904 -4.5819 -4.5819 -4.2107 -4.2107 0.6575 0.6575 0.7974 0.7974 2.0855 2.0855 2.8585 2.8585 3.3909 3.3909 3.9222 3.9222 6.2589 6.2589 7.0245 7.0245 7.6754 7.6754 7.8709 7.8709 8.2255 8.2255 k = 0.0000 0.4118-0.0000 ( 10363 PWs) bands (ev): -71.6557 -71.6557 -71.6554 -71.6554 -48.2313 -48.2313 -48.2311 -48.2311 -38.6030 -38.6030 -38.6012 -38.6012 -38.3153 -38.3153 -38.3147 -38.3147 -38.3141 -38.3141 -38.3122 -38.3122 -20.2739 -20.2739 -20.2723 -20.2723 -20.0983 -20.0983 -20.0973 -20.0973 -20.0918 -20.0918 -20.0905 -20.0905 -4.5483 -4.5483 -4.2267 -4.2267 0.6350 0.6350 0.7676 0.7676 2.1126 2.1126 2.7915 2.7915 3.4318 3.4318 3.8921 3.8921 6.3230 6.3230 7.0221 7.0221 7.7123 7.7123 7.8719 7.8719 8.2126 8.2126 k = 0.0000 0.4265-0.0000 ( 10377 PWs) bands (ev): -71.6557 -71.6557 -71.6554 -71.6554 -48.2313 -48.2313 -48.2311 -48.2311 -38.6028 -38.6028 -38.6014 -38.6014 -38.3151 -38.3151 -38.3146 -38.3146 -38.3142 -38.3142 -38.3125 -38.3125 -20.2738 -20.2738 -20.2725 -20.2725 -20.0982 -20.0982 -20.0974 -20.0974 -20.0917 -20.0917 -20.0907 -20.0907 -4.5152 -4.5152 -4.2447 -4.2447 0.6184 0.6184 0.7377 0.7377 2.1474 2.1474 2.7242 2.7242 3.4731 3.4731 3.8602 3.8602 6.3889 6.3889 7.0021 7.0021 7.7511 7.7511 7.8930 7.8930 8.2059 8.2059 k = 0.0000 0.4412-0.0000 ( 10367 PWs) bands (ev): -71.6557 -71.6557 -71.6554 -71.6554 -48.2312 -48.2312 -48.2311 -48.2311 -38.6027 -38.6027 -38.6015 -38.6015 -38.3148 -38.3148 -38.3145 -38.3145 -38.3142 -38.3142 -38.3128 -38.3128 -20.2737 -20.2737 -20.2726 -20.2726 -20.0981 -20.0981 -20.0975 -20.0975 -20.0916 -20.0916 -20.0908 -20.0908 -4.4827 -4.4827 -4.2646 -4.2646 0.6077 0.6077 0.7090 0.7090 2.1886 2.1886 2.6572 2.6572 3.5146 3.5146 3.8265 3.8265 6.4563 6.4563 6.9664 6.9664 7.7939 7.7939 7.9288 7.9288 8.2051 8.2051 k = 0.0000 0.4559-0.0000 ( 10350 PWs) bands (ev): -71.6556 -71.6556 -71.6555 -71.6555 -48.2312 -48.2312 -48.2311 -48.2311 -38.6025 -38.6025 -38.6016 -38.6016 -38.3146 -38.3146 -38.3145 -38.3145 -38.3142 -38.3142 -38.3130 -38.3130 -20.2735 -20.2735 -20.2727 -20.2727 -20.0980 -20.0980 -20.0975 -20.0975 -20.0915 -20.0915 -20.0909 -20.0909 -4.4510 -4.4510 -4.2864 -4.2864 0.6029 0.6029 0.6822 0.6822 2.2354 2.2354 2.5909 2.5909 3.5560 3.5560 3.7913 3.7913 6.5249 6.5249 6.9183 6.9183 7.8417 7.8417 7.9713 7.9713 8.2093 8.2093 k = 0.0000 0.4706-0.0000 ( 10350 PWs) bands (ev): -71.6556 -71.6556 -71.6555 -71.6555 -48.2312 -48.2312 -48.2311 -48.2311 -38.6023 -38.6023 -38.6018 -38.6018 -38.3144 -38.3144 -38.3144 -38.3144 -38.3142 -38.3142 -38.3133 -38.3133 -20.2734 -20.2734 -20.2729 -20.2729 -20.0980 -20.0980 -20.0976 -20.0976 -20.0914 -20.0914 -20.0910 -20.0910 -4.4202 -4.4202 -4.3100 -4.3100 0.6038 0.6038 0.6582 0.6582 2.2869 2.2869 2.5258 2.5258 3.5971 3.5971 3.7546 3.7546 6.5942 6.5942 6.8614 6.8614 7.8936 7.8936 8.0085 8.0085 8.2128 8.2128 k = 0.0000 0.4853-0.0000 ( 10350 PWs) bands (ev): -71.6556 -71.6556 -71.6555 -71.6555 -48.2312 -48.2312 -48.2312 -48.2312 -38.6022 -38.6022 -38.6019 -38.6019 -38.3144 -38.3144 -38.3143 -38.3143 -38.3140 -38.3140 -38.3135 -38.3135 -20.2733 -20.2733 -20.2730 -20.2730 -20.0979 -20.0979 -20.0977 -20.0977 -20.0913 -20.0913 -20.0911 -20.0911 -4.3906 -4.3906 -4.3353 -4.3353 0.6102 0.6102 0.6378 0.6378 2.3423 2.3423 2.4623 2.4623 3.6377 3.6377 3.7167 3.7167 6.6635 6.6635 6.7986 6.7986 7.9464 7.9464 8.0194 8.0194 8.2104 8.2104 k = 0.0000 0.5000-0.0000 ( 10346 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2312 -48.2312 -48.2312 -48.2312 -38.6020 -38.6020 -38.6020 -38.6020 -38.3144 -38.3144 -38.3144 -38.3144 -38.3138 -38.3138 -38.3138 -38.3138 -20.2731 -20.2731 -20.2731 -20.2731 -20.0978 -20.0978 -20.0978 -20.0978 -20.0912 -20.0912 -20.0912 -20.0912 -4.3622 -4.3622 -4.3622 -4.3622 0.6216 0.6216 0.6216 0.6216 2.4010 2.4010 2.4010 2.4010 3.6777 3.6777 3.6777 3.6777 6.7321 6.7321 6.7321 6.7321 7.9932 7.9932 7.9932 7.9932 8.2264 8.2264 k = 0.0000 0.5000-0.0000 ( 10346 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2312 -48.2312 -48.2312 -48.2312 -38.6020 -38.6020 -38.6020 -38.6020 -38.3144 -38.3144 -38.3144 -38.3144 -38.3138 -38.3138 -38.3138 -38.3138 -20.2731 -20.2731 -20.2731 -20.2731 -20.0978 -20.0978 -20.0978 -20.0978 -20.0912 -20.0912 -20.0912 -20.0912 -4.3622 -4.3622 -4.3622 -4.3622 0.6216 0.6216 0.6216 0.6216 2.4010 2.4010 2.4010 2.4010 3.6777 3.6777 3.6777 3.6777 6.7321 6.7321 6.7321 6.7321 7.9932 7.9932 7.9932 7.9932 8.2264 8.2264 k = 0.0147 0.5000-0.0000 ( 10346 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2312 -48.2312 -48.2312 -48.2312 -38.6020 -38.6020 -38.6020 -38.6020 -38.3144 -38.3144 -38.3144 -38.3144 -38.3137 -38.3137 -38.3137 -38.3137 -20.2731 -20.2731 -20.2731 -20.2731 -20.0979 -20.0979 -20.0977 -20.0977 -20.0913 -20.0913 -20.0911 -20.0911 -4.3616 -4.3616 -4.3615 -4.3615 0.6214 0.6214 0.6232 0.6232 2.3994 2.3994 2.4035 2.4035 3.6681 3.6681 3.6704 3.6704 6.7381 6.7381 6.7490 6.7490 7.9254 7.9254 7.9760 7.9760 8.1549 8.1549 k = 0.0294 0.5000-0.0000 ( 10346 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2312 -48.2312 -48.2312 -48.2312 -38.6020 -38.6020 -38.6020 -38.6020 -38.3146 -38.3146 -38.3145 -38.3145 -38.3136 -38.3136 -38.3135 -38.3135 -20.2731 -20.2731 -20.2731 -20.2731 -20.0980 -20.0980 -20.0976 -20.0976 -20.0914 -20.0914 -20.0910 -20.0910 -4.3597 -4.3597 -4.3595 -4.3595 0.6224 0.6224 0.6261 0.6261 2.3987 2.3987 2.4069 2.4069 3.6423 3.6423 3.6465 3.6465 6.7661 6.7661 6.7880 6.7880 7.8226 7.8226 7.8715 7.8715 8.1370 8.1370 k = 0.0441 0.5000-0.0000 ( 10346 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2312 -48.2312 -48.2312 -48.2312 -38.6021 -38.6021 -38.6020 -38.6020 -38.3147 -38.3147 -38.3146 -38.3146 -38.3135 -38.3135 -38.3134 -38.3134 -20.2732 -20.2732 -20.2731 -20.2731 -20.0981 -20.0981 -20.0975 -20.0975 -20.0915 -20.0915 -20.0909 -20.0909 -4.3565 -4.3565 -4.3562 -4.3562 0.6246 0.6246 0.6302 0.6302 2.3988 2.3988 2.4114 2.4114 3.6018 3.6018 3.6072 3.6072 6.8133 6.8133 6.8470 6.8470 7.7080 7.7080 7.7439 7.7439 8.1209 8.1209 k = 0.0588 0.5000-0.0000 ( 10344 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2312 -48.2312 -48.2312 -48.2312 -38.6021 -38.6021 -38.6020 -38.6020 -38.3149 -38.3149 -38.3148 -38.3148 -38.3133 -38.3133 -38.3132 -38.3132 -20.2732 -20.2732 -20.2732 -20.2732 -20.0981 -20.0981 -20.0975 -20.0975 -20.0915 -20.0915 -20.0909 -20.0909 -4.3520 -4.3520 -4.3516 -4.3516 0.6281 0.6281 0.6355 0.6355 2.3993 2.3993 2.4170 2.4170 3.5488 3.5488 3.5543 3.5543 6.8742 6.8742 6.9211 6.9211 7.5942 7.5942 7.6164 7.6164 8.0943 8.0944 k = 0.0735 0.5000-0.0000 ( 10356 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2312 -48.2312 -48.2312 -48.2312 -38.6021 -38.6021 -38.6021 -38.6021 -38.3151 -38.3151 -38.3150 -38.3150 -38.3132 -38.3132 -38.3131 -38.3131 -20.2732 -20.2732 -20.2732 -20.2732 -20.0982 -20.0982 -20.0974 -20.0974 -20.0917 -20.0917 -20.0908 -20.0908 -4.3463 -4.3463 -4.3458 -4.3458 0.6326 0.6326 0.6420 0.6420 2.4001 2.4001 2.4235 2.4235 3.4857 3.4857 3.4900 3.4900 6.9376 6.9376 6.9997 6.9997 7.4940 7.4940 7.5017 7.5017 8.0571 8.0571 k = 0.0882 0.5000-0.0000 ( 10352 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2312 -48.2312 -48.2312 -48.2312 -38.6021 -38.6021 -38.6021 -38.6021 -38.3153 -38.3153 -38.3151 -38.3151 -38.3130 -38.3130 -38.3129 -38.3129 -20.2732 -20.2732 -20.2732 -20.2732 -20.0983 -20.0983 -20.0973 -20.0973 -20.0918 -20.0918 -20.0908 -20.0908 -4.3394 -4.3394 -4.3387 -4.3387 0.6381 0.6381 0.6496 0.6496 2.4008 2.4008 2.4310 2.4310 3.4152 3.4152 3.4167 3.4167 6.9786 6.9786 7.0539 7.0539 7.4282 7.4282 7.4310 7.4310 8.0105 8.0105 k = 0.1029 0.5000-0.0000 ( 10350 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2312 -48.2312 -48.2312 -48.2312 -38.6021 -38.6021 -38.6021 -38.6021 -38.3154 -38.3154 -38.3153 -38.3153 -38.3128 -38.3128 -38.3127 -38.3127 -20.2732 -20.2732 -20.2732 -20.2732 -20.0984 -20.0984 -20.0972 -20.0972 -20.0919 -20.0919 -20.0907 -20.0907 -4.3312 -4.3312 -4.3305 -4.3305 0.6446 0.6446 0.6581 0.6581 2.4010 2.4010 2.4393 2.4393 3.3367 3.3367 3.3399 3.3399 6.9623 6.9623 7.0320 7.0320 7.4372 7.4372 7.4456 7.4456 7.9560 7.9560 k = 0.1176 0.5000-0.0000 ( 10354 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2312 -48.2312 -48.2312 -48.2312 -38.6021 -38.6021 -38.6021 -38.6021 -38.3156 -38.3156 -38.3155 -38.3155 -38.3127 -38.3127 -38.3126 -38.3126 -20.2732 -20.2732 -20.2732 -20.2732 -20.0985 -20.0985 -20.0972 -20.0972 -20.0920 -20.0920 -20.0907 -20.0907 -4.3219 -4.3219 -4.3211 -4.3211 0.6517 0.6517 0.6674 0.6674 2.4001 2.4001 2.4484 2.4484 3.2520 3.2520 3.2623 3.2623 6.8888 6.8888 6.9422 6.9422 7.5055 7.5055 7.5419 7.5419 7.8970 7.8970 k = 0.1324 0.5000-0.0000 ( 10362 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2312 -48.2312 -48.2312 -48.2312 -38.6021 -38.6021 -38.6021 -38.6021 -38.3158 -38.3158 -38.3156 -38.3156 -38.3125 -38.3125 -38.3124 -38.3124 -20.2732 -20.2732 -20.2732 -20.2732 -20.0985 -20.0985 -20.0971 -20.0971 -20.0921 -20.0921 -20.0906 -20.0906 -4.3116 -4.3116 -4.3106 -4.3106 0.6593 0.6593 0.6774 0.6774 2.3974 2.3974 2.4581 2.4581 3.1647 3.1647 3.1848 3.1848 6.7870 6.7870 6.8274 6.8274 7.5865 7.5865 7.6590 7.6590 7.8486 7.8486 k = 0.1471 0.5000-0.0000 ( 10354 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2312 -48.2312 -48.2312 -48.2312 -38.6021 -38.6021 -38.6021 -38.6021 -38.3159 -38.3159 -38.3158 -38.3158 -38.3124 -38.3124 -38.3122 -38.3122 -20.2732 -20.2732 -20.2732 -20.2732 -20.0986 -20.0986 -20.0970 -20.0970 -20.0922 -20.0922 -20.0906 -20.0906 -4.3002 -4.3002 -4.2992 -4.2992 0.6673 0.6673 0.6878 0.6878 2.3918 2.3918 2.4682 2.4682 3.0764 3.0764 3.1100 3.1100 6.6746 6.6746 6.7055 6.7055 7.6143 7.6143 7.6904 7.6904 7.8992 7.8992 k = 0.1618 0.5000-0.0000 ( 10354 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2312 -48.2312 -48.2312 -48.2312 -38.6021 -38.6021 -38.6021 -38.6021 -38.3161 -38.3161 -38.3159 -38.3159 -38.3122 -38.3122 -38.3121 -38.3121 -20.2733 -20.2733 -20.2732 -20.2732 -20.0986 -20.0986 -20.0970 -20.0970 -20.0922 -20.0922 -20.0906 -20.0906 -4.2879 -4.2879 -4.2868 -4.2868 0.6753 0.6753 0.6983 0.6983 2.3824 2.3824 2.4784 2.4784 2.9889 2.9889 3.0401 3.0401 6.5591 6.5591 6.5826 6.5826 7.5731 7.5731 7.6273 7.6273 8.0518 8.0518 k = 0.1765 0.5000-0.0000 ( 10350 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2312 -48.2312 -48.2312 -48.2312 -38.6021 -38.6021 -38.6021 -38.6021 -38.3162 -38.3162 -38.3161 -38.3161 -38.3120 -38.3120 -38.3119 -38.3119 -20.2733 -20.2733 -20.2733 -20.2733 -20.0987 -20.0987 -20.0969 -20.0969 -20.0923 -20.0923 -20.0906 -20.0906 -4.2747 -4.2747 -4.2735 -4.2735 0.6832 0.6832 0.7086 0.7086 2.3680 2.3680 2.4883 2.4883 2.9035 2.9035 2.9774 2.9774 6.4438 6.4438 6.4611 6.4611 7.5006 7.5006 7.5448 7.5448 8.2290 8.2290 k = 0.1912 0.5000-0.0000 ( 10328 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2312 -48.2312 -48.2312 -48.2312 -38.6021 -38.6021 -38.6020 -38.6020 -38.3163 -38.3163 -38.3162 -38.3162 -38.3118 -38.3118 -38.3117 -38.3117 -20.2732 -20.2732 -20.2732 -20.2732 -20.0987 -20.0987 -20.0968 -20.0968 -20.0924 -20.0924 -20.0905 -20.0905 -4.2607 -4.2607 -4.2595 -4.2595 0.6905 0.6905 0.7186 0.7186 2.3477 2.3477 2.4974 2.4974 2.8219 2.8219 2.9238 2.9238 6.3304 6.3304 6.3423 6.3423 7.4157 7.4157 7.4554 7.4554 8.4079 8.4079 k = 0.2059 0.5000-0.0000 ( 10328 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2312 -48.2312 -48.2312 -48.2312 -38.6021 -38.6021 -38.6020 -38.6020 -38.3165 -38.3165 -38.3163 -38.3163 -38.3117 -38.3117 -38.3116 -38.3116 -20.2733 -20.2733 -20.2733 -20.2733 -20.0987 -20.0987 -20.0968 -20.0968 -20.0924 -20.0924 -20.0905 -20.0905 -4.2461 -4.2461 -4.2448 -4.2448 0.6970 0.6970 0.7276 0.7276 2.3213 2.3213 2.5044 2.5044 2.7460 2.7460 2.8802 2.8802 6.2202 6.2202 6.2270 6.2270 7.3245 7.3245 7.3623 7.3623 8.5972 8.5972 k = 0.2206 0.5000-0.0000 ( 10324 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2312 -48.2312 -48.2312 -48.2312 -38.6021 -38.6021 -38.6020 -38.6020 -38.3166 -38.3166 -38.3165 -38.3165 -38.3115 -38.3115 -38.3115 -38.3115 -20.2733 -20.2733 -20.2733 -20.2733 -20.0987 -20.0987 -20.0968 -20.0968 -20.0925 -20.0925 -20.0905 -20.0905 -4.2308 -4.2308 -4.2295 -4.2295 0.7023 0.7023 0.7354 0.7354 2.2895 2.2895 2.5069 2.5069 2.6790 2.6790 2.8466 2.8466 6.1138 6.1138 6.1159 6.1159 7.2299 7.2299 7.2667 7.2667 8.7941 8.7941 k = 0.2353 0.5000-0.0000 ( 10324 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2312 -48.2312 -48.2312 -48.2312 -38.6021 -38.6021 -38.6021 -38.6021 -38.3167 -38.3167 -38.3166 -38.3166 -38.3114 -38.3114 -38.3113 -38.3113 -20.2733 -20.2733 -20.2733 -20.2733 -20.0988 -20.0988 -20.0968 -20.0968 -20.0925 -20.0925 -20.0905 -20.0905 -4.2151 -4.2151 -4.2138 -4.2138 0.7061 0.7061 0.7415 0.7415 2.2540 2.2540 2.4992 2.4992 2.6272 2.6272 2.8221 2.8221 6.0096 6.0096 6.0118 6.0118 7.1333 7.1333 7.1697 7.1697 8.9969 8.9969 k = 0.2500 0.5000-0.0000 ( 10344 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2312 -48.2312 -48.2312 -48.2312 -38.6021 -38.6021 -38.6021 -38.6021 -38.3169 -38.3169 -38.3168 -38.3168 -38.3113 -38.3113 -38.3112 -38.3112 -20.2733 -20.2733 -20.2733 -20.2733 -20.0988 -20.0988 -20.0968 -20.0968 -20.0926 -20.0926 -20.0906 -20.0906 -4.1991 -4.1991 -4.1977 -4.1977 0.7081 0.7081 0.7454 0.7454 2.2171 2.2171 2.4739 2.4739 2.5985 2.5985 2.8049 2.8049 5.9084 5.9084 5.9149 5.9149 7.0359 7.0359 7.0722 7.0722 9.2040 9.2040 k = 0.2647 0.5000-0.0000 ( 10340 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2312 -48.2312 -48.2312 -48.2312 -38.6021 -38.6021 -38.6021 -38.6021 -38.3170 -38.3170 -38.3169 -38.3169 -38.3112 -38.3112 -38.3111 -38.3111 -20.2734 -20.2734 -20.2733 -20.2733 -20.0988 -20.0988 -20.0968 -20.0968 -20.0926 -20.0926 -20.0906 -20.0906 -4.1828 -4.1828 -4.1814 -4.1814 0.7079 0.7079 0.7468 0.7468 2.1811 2.1811 2.4351 2.4351 2.5889 2.5889 2.7929 2.7929 5.8130 5.8130 5.8235 5.8235 6.9384 6.9384 6.9747 6.9747 9.4140 9.4140 k = 0.2794 0.5000-0.0000 ( 10332 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2312 -48.2312 -48.2312 -48.2312 -38.6021 -38.6021 -38.6021 -38.6021 -38.3171 -38.3171 -38.3170 -38.3170 -38.3111 -38.3111 -38.3110 -38.3110 -20.2734 -20.2734 -20.2733 -20.2733 -20.0988 -20.0988 -20.0969 -20.0969 -20.0926 -20.0926 -20.0906 -20.0906 -4.1664 -4.1664 -4.1650 -4.1650 0.7053 0.7053 0.7454 0.7454 2.1481 2.1481 2.3942 2.3942 2.5873 2.5873 2.7845 2.7845 5.7236 5.7236 5.7379 5.7379 6.8416 6.8416 6.8779 6.8779 9.6253 9.6253 k = 0.2941 0.5000-0.0000 ( 10316 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2311 -48.2311 -48.2311 -48.2311 -38.6021 -38.6021 -38.6021 -38.6021 -38.3172 -38.3172 -38.3171 -38.3171 -38.3109 -38.3109 -38.3108 -38.3108 -20.2733 -20.2733 -20.2733 -20.2733 -20.0988 -20.0988 -20.0969 -20.0969 -20.0926 -20.0926 -20.0906 -20.0906 -4.1501 -4.1501 -4.1487 -4.1487 0.7003 0.7003 0.7408 0.7408 2.1198 2.1198 2.3574 2.3574 2.5876 2.5876 2.7780 2.7780 5.6407 5.6407 5.6586 5.6586 6.7461 6.7461 6.7823 6.7823 9.8357 9.8357 k = 0.3088 0.5000-0.0000 ( 10316 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2311 -48.2311 -48.2311 -48.2311 -38.6021 -38.6021 -38.6021 -38.6021 -38.3173 -38.3173 -38.3172 -38.3172 -38.3108 -38.3108 -38.3107 -38.3107 -20.2734 -20.2734 -20.2734 -20.2734 -20.0988 -20.0988 -20.0970 -20.0970 -20.0925 -20.0925 -20.0907 -20.0907 -4.1339 -4.1339 -4.1326 -4.1326 0.6929 0.6929 0.7331 0.7331 2.0974 2.0974 2.3268 2.3268 2.5875 2.5875 2.7721 2.7721 5.5647 5.5647 5.5860 5.5860 6.6525 6.6525 6.6886 6.6886 10.0378 10.0380 k = 0.3235 0.5000-0.0000 ( 10322 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2311 -48.2311 -48.2311 -48.2311 -38.6021 -38.6021 -38.6021 -38.6021 -38.3174 -38.3174 -38.3173 -38.3173 -38.3107 -38.3107 -38.3106 -38.3106 -20.2734 -20.2734 -20.2734 -20.2734 -20.0988 -20.0988 -20.0970 -20.0970 -20.0925 -20.0925 -20.0907 -20.0907 -4.1181 -4.1181 -4.1169 -4.1169 0.6831 0.6831 0.7224 0.7224 2.0814 2.0814 2.3033 2.3033 2.5859 2.5859 2.7657 2.7657 5.4960 5.4960 5.5203 5.5203 6.5614 6.5614 6.5973 6.5973 10.1966 10.1966 k = 0.3382 0.5000-0.0000 ( 10330 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2312 -48.2312 -48.2312 -48.2312 -38.6021 -38.6021 -38.6021 -38.6021 -38.3175 -38.3175 -38.3174 -38.3174 -38.3106 -38.3106 -38.3106 -38.3106 -20.2734 -20.2734 -20.2734 -20.2734 -20.0988 -20.0988 -20.0971 -20.0971 -20.0925 -20.0925 -20.0908 -20.0908 -4.1029 -4.1029 -4.1016 -4.1016 0.6713 0.6713 0.7090 0.7090 2.0723 2.0723 2.2870 2.2870 2.5821 2.5821 2.7582 2.7582 5.4348 5.4348 5.4616 5.4616 6.4733 6.4733 6.5089 6.5089 10.3192 10.3192 k = 0.3529 0.5000-0.0000 ( 10324 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2311 -48.2311 -48.2311 -48.2311 -38.6021 -38.6021 -38.6021 -38.6021 -38.3175 -38.3175 -38.3175 -38.3175 -38.3106 -38.3106 -38.3105 -38.3105 -20.2734 -20.2734 -20.2734 -20.2734 -20.0988 -20.0988 -20.0972 -20.0972 -20.0924 -20.0924 -20.0908 -20.0908 -4.0882 -4.0882 -4.0871 -4.0871 0.6579 0.6579 0.6934 0.6934 2.0700 2.0700 2.2777 2.2777 2.5758 2.5758 2.7488 2.7488 5.3813 5.3813 5.4101 5.4101 6.3889 6.3889 6.4240 6.4240 10.4151 10.4151 k = 0.3676 0.5000-0.0000 ( 10326 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2311 -48.2311 -48.2311 -48.2311 -38.6021 -38.6021 -38.6021 -38.6021 -38.3176 -38.3176 -38.3175 -38.3175 -38.3105 -38.3105 -38.3104 -38.3104 -20.2734 -20.2734 -20.2734 -20.2734 -20.0987 -20.0987 -20.0973 -20.0973 -20.0924 -20.0924 -20.0909 -20.0909 -4.0744 -4.0744 -4.0734 -4.0734 0.6435 0.6435 0.6763 0.6763 2.0741 2.0741 2.2748 2.2748 2.5670 2.5670 2.7371 2.7371 5.3356 5.3356 5.3659 5.3659 6.3089 6.3089 6.3430 6.3430 10.4971 10.4971 k = 0.3824 0.5000-0.0000 ( 10318 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2311 -48.2311 -48.2311 -48.2311 -38.6021 -38.6021 -38.6021 -38.6021 -38.3177 -38.3177 -38.3176 -38.3176 -38.3104 -38.3104 -38.3104 -38.3104 -20.2734 -20.2734 -20.2734 -20.2734 -20.0987 -20.0987 -20.0974 -20.0974 -20.0923 -20.0923 -20.0910 -20.0910 -4.0616 -4.0616 -4.0606 -4.0606 0.6286 0.6286 0.6582 0.6582 2.0840 2.0840 2.2775 2.2775 2.5557 2.5557 2.7227 2.7227 5.2976 5.2976 5.3285 5.3285 6.2338 6.2338 6.2667 6.2667 10.5718 10.5718 k = 0.3971 0.5000-0.0000 ( 10318 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2311 -48.2311 -48.2311 -48.2311 -38.6021 -38.6021 -38.6021 -38.6021 -38.3177 -38.3177 -38.3177 -38.3177 -38.3103 -38.3103 -38.3103 -38.3103 -20.2735 -20.2735 -20.2734 -20.2734 -20.0986 -20.0986 -20.0975 -20.0975 -20.0922 -20.0922 -20.0911 -20.0911 -4.0498 -4.0498 -4.0489 -4.0489 0.6138 0.6138 0.6401 0.6401 2.0992 2.0992 2.2848 2.2848 2.5424 2.5424 2.7057 2.7057 5.2671 5.2671 5.2979 5.2979 6.1645 6.1645 6.1958 6.1958 10.6420 10.6420 k = 0.4118 0.5000-0.0000 ( 10320 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2311 -48.2311 -48.2311 -48.2311 -38.6021 -38.6021 -38.6021 -38.6021 -38.3178 -38.3178 -38.3177 -38.3177 -38.3103 -38.3103 -38.3103 -38.3103 -20.2735 -20.2735 -20.2735 -20.2735 -20.0986 -20.0986 -20.0976 -20.0976 -20.0921 -20.0921 -20.0911 -20.0911 -4.0393 -4.0393 -4.0385 -4.0385 0.5999 0.5999 0.6225 0.6225 2.1187 2.1187 2.2952 2.2952 2.5278 2.5278 2.6859 2.6859 5.2438 5.2438 5.2733 5.2733 6.1018 6.1018 6.1309 6.1309 10.7085 10.7085 k = 0.4265 0.5000-0.0000 ( 10318 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2311 -48.2311 -48.2311 -48.2311 -38.6021 -38.6021 -38.6021 -38.6021 -38.3178 -38.3178 -38.3178 -38.3178 -38.3102 -38.3102 -38.3102 -38.3102 -20.2735 -20.2735 -20.2735 -20.2735 -20.0985 -20.0985 -20.0977 -20.0977 -20.0921 -20.0921 -20.0912 -20.0912 -4.0302 -4.0302 -4.0295 -4.0295 0.5873 0.5873 0.6062 0.6062 2.1418 2.1418 2.3067 2.3067 2.5136 2.5136 2.6637 2.6637 5.2269 5.2269 5.2542 5.2542 6.0467 6.0467 6.0729 6.0729 10.7712 10.7712 k = 0.4412 0.5000-0.0000 ( 10312 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2311 -48.2311 -48.2311 -48.2311 -38.6021 -38.6021 -38.6021 -38.6021 -38.3178 -38.3178 -38.3178 -38.3178 -38.3102 -38.3102 -38.3102 -38.3102 -20.2735 -20.2735 -20.2735 -20.2735 -20.0984 -20.0984 -20.0978 -20.0978 -20.0920 -20.0920 -20.0913 -20.0913 -4.0225 -4.0225 -4.0220 -4.0220 0.5765 0.5765 0.5917 0.5917 2.1677 2.1677 2.3161 2.3161 2.5023 2.5023 2.6394 2.6394 5.2158 5.2158 5.2396 5.2396 6.0003 6.0003 6.0227 6.0227 10.8290 10.8290 k = 0.4559 0.5000-0.0000 ( 10302 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2311 -48.2311 -48.2311 -48.2311 -38.6021 -38.6021 -38.6021 -38.6021 -38.3178 -38.3178 -38.3178 -38.3178 -38.3101 -38.3101 -38.3101 -38.3101 -20.2735 -20.2735 -20.2735 -20.2735 -20.0984 -20.0984 -20.0978 -20.0978 -20.0919 -20.0919 -20.0913 -20.0913 -4.0165 -4.0165 -4.0160 -4.0160 0.5681 0.5681 0.5795 0.5795 2.1953 2.1953 2.3197 2.3197 2.4973 2.4973 2.6135 2.6135 5.2096 5.2096 5.2288 5.2288 5.9635 5.9635 5.9814 5.9814 10.8803 10.8804 k = 0.4706 0.5000-0.0000 ( 10296 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2311 -48.2311 -48.2311 -48.2311 -38.6021 -38.6021 -38.6021 -38.6021 -38.3179 -38.3179 -38.3178 -38.3178 -38.3101 -38.3101 -38.3101 -38.3101 -20.2735 -20.2735 -20.2735 -20.2735 -20.0983 -20.0983 -20.0979 -20.0979 -20.0918 -20.0918 -20.0914 -20.0914 -4.0120 -4.0120 -4.0118 -4.0118 0.5624 0.5624 0.5700 0.5700 2.2237 2.2237 2.3142 2.3142 2.5017 2.5017 2.5869 2.5869 5.2072 5.2072 5.2207 5.2207 5.9374 5.9374 5.9499 5.9499 10.9231 10.9231 k = 0.4853 0.5000-0.0000 ( 10292 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2311 -48.2311 -48.2311 -48.2311 -38.6021 -38.6021 -38.6021 -38.6021 -38.3179 -38.3179 -38.3179 -38.3179 -38.3101 -38.3101 -38.3100 -38.3100 -20.2734 -20.2734 -20.2734 -20.2734 -20.0982 -20.0982 -20.0980 -20.0980 -20.0917 -20.0917 -20.0915 -20.0915 -4.0093 -4.0093 -4.0092 -4.0092 0.5596 0.5596 0.5634 0.5634 2.2517 2.2517 2.2994 2.2994 2.5155 2.5155 2.5606 2.5606 5.2077 5.2077 5.2147 5.2147 5.9228 5.9228 5.9292 5.9292 10.9546 10.9546 k = 0.5000 0.5000-0.0000 ( 10304 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2311 -48.2311 -48.2311 -48.2311 -38.6021 -38.6021 -38.6021 -38.6021 -38.3179 -38.3179 -38.3179 -38.3179 -38.3101 -38.3101 -38.3101 -38.3101 -20.2735 -20.2735 -20.2735 -20.2735 -20.0981 -20.0981 -20.0981 -20.0981 -20.0916 -20.0916 -20.0916 -20.0916 -4.0084 -4.0084 -4.0084 -4.0084 0.5599 0.5599 0.5599 0.5599 2.2776 2.2776 2.2776 2.2776 2.5360 2.5360 2.5360 2.5360 5.2103 5.2103 5.2103 5.2103 5.9200 5.9200 5.9200 5.9200 10.9725 10.9725 k = 0.5000 0.5000-0.0000 ( 10304 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2311 -48.2311 -48.2311 -48.2311 -38.6021 -38.6021 -38.6021 -38.6021 -38.3179 -38.3179 -38.3179 -38.3179 -38.3101 -38.3101 -38.3101 -38.3101 -20.2735 -20.2735 -20.2735 -20.2735 -20.0981 -20.0981 -20.0981 -20.0981 -20.0916 -20.0916 -20.0916 -20.0916 -4.0084 -4.0084 -4.0084 -4.0084 0.5599 0.5599 0.5599 0.5599 2.2776 2.2776 2.2776 2.2776 2.5360 2.5360 2.5360 2.5360 5.2103 5.2103 5.2103 5.2103 5.9200 5.9200 5.9200 5.9200 10.9725 10.9725 k = 0.4896 0.4896-0.0000 ( 10292 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2311 -48.2311 -48.2311 -48.2311 -38.6021 -38.6021 -38.6021 -38.6021 -38.3179 -38.3179 -38.3178 -38.3178 -38.3101 -38.3101 -38.3100 -38.3100 -20.2735 -20.2735 -20.2734 -20.2734 -20.0982 -20.0982 -20.0980 -20.0980 -20.0917 -20.0917 -20.0915 -20.0915 -4.0101 -4.0101 -4.0085 -4.0085 0.5596 0.5596 0.5634 0.5634 2.2512 2.2512 2.3000 2.3000 2.5149 2.5149 2.5611 2.5611 5.2057 5.2057 5.2166 5.2166 5.9204 5.9204 5.9316 5.9316 10.9523 10.9524 k = 0.4792 0.4792-0.0000 ( 10298 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2311 -48.2311 -48.2311 -48.2311 -38.6021 -38.6021 -38.6021 -38.6021 -38.3179 -38.3179 -38.3178 -38.3178 -38.3101 -38.3101 -38.3100 -38.3100 -20.2735 -20.2735 -20.2735 -20.2735 -20.0983 -20.0983 -20.0979 -20.0979 -20.0918 -20.0918 -20.0914 -20.0914 -4.0151 -4.0151 -4.0088 -4.0088 0.5624 0.5624 0.5702 0.5702 2.2208 2.2208 2.3190 2.3190 2.4966 2.4966 2.5901 2.5901 5.1967 5.1967 5.2318 5.2318 5.9244 5.9244 5.9625 5.9625 10.9094 10.9094 k = 0.4688 0.4687-0.0000 ( 10288 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2311 -48.2311 -48.2311 -48.2311 -38.6021 -38.6021 -38.6020 -38.6020 -38.3178 -38.3178 -38.3178 -38.3178 -38.3102 -38.3102 -38.3100 -38.3100 -20.2735 -20.2735 -20.2734 -20.2734 -20.0983 -20.0983 -20.0978 -20.0978 -20.0918 -20.0918 -20.0913 -20.0913 -4.0234 -4.0234 -4.0093 -4.0093 0.5681 0.5681 0.5802 0.5802 2.1870 2.1870 2.3358 2.3358 2.4801 2.4801 2.6227 2.6227 5.1844 5.1844 5.2568 5.2568 5.9312 5.9312 6.0111 6.0111 10.8459 10.8459 k = 0.4583 0.4583-0.0000 ( 10304 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2311 -48.2311 -48.2311 -48.2311 -38.6021 -38.6021 -38.6021 -38.6021 -38.3178 -38.3178 -38.3178 -38.3178 -38.3102 -38.3102 -38.3101 -38.3101 -20.2735 -20.2735 -20.2734 -20.2734 -20.0984 -20.0984 -20.0977 -20.0977 -20.0920 -20.0920 -20.0912 -20.0912 -4.0348 -4.0348 -4.0100 -4.0100 0.5767 0.5767 0.5936 0.5936 2.1509 2.1509 2.3516 2.3516 2.4642 2.4642 2.6581 2.6581 5.1716 5.1716 5.2914 5.2914 5.9408 5.9408 6.0747 6.0747 10.7676 10.7676 k = 0.4479 0.4479-0.0000 ( 10320 PWs) bands (ev): -71.6556 -71.6556 -71.6555 -71.6555 -48.2311 -48.2311 -48.2311 -48.2311 -38.6022 -38.6022 -38.6021 -38.6021 -38.3179 -38.3179 -38.3177 -38.3177 -38.3103 -38.3103 -38.3101 -38.3101 -20.2736 -20.2736 -20.2734 -20.2734 -20.0985 -20.0985 -20.0977 -20.0977 -20.0921 -20.0921 -20.0912 -20.0912 -4.0494 -4.0494 -4.0108 -4.0108 0.5880 0.5880 0.6101 0.6101 2.1132 2.1132 2.3673 2.3673 2.4479 2.4479 2.6954 2.6954 5.1609 5.1609 5.3356 5.3356 5.9530 5.9530 6.1508 6.1508 10.6793 10.6793 k = 0.4375 0.4375-0.0000 ( 10314 PWs) bands (ev): -71.6556 -71.6556 -71.6555 -71.6555 -48.2312 -48.2312 -48.2311 -48.2311 -38.6022 -38.6022 -38.6020 -38.6020 -38.3178 -38.3178 -38.3176 -38.3176 -38.3104 -38.3104 -38.3101 -38.3101 -20.2736 -20.2736 -20.2733 -20.2733 -20.0986 -20.0986 -20.0976 -20.0976 -20.0921 -20.0921 -20.0911 -20.0911 -4.0669 -4.0669 -4.0120 -4.0120 0.6020 0.6020 0.6298 0.6298 2.0750 2.0750 2.3836 2.3836 2.4308 2.4308 2.7341 2.7341 5.1544 5.1544 5.3888 5.3888 5.9680 5.9680 6.2371 6.2371 10.5848 10.5848 k = 0.4271 0.4271-0.0000 ( 10316 PWs) bands (ev): -71.6556 -71.6556 -71.6555 -71.6555 -48.2312 -48.2312 -48.2311 -48.2311 -38.6023 -38.6023 -38.6019 -38.6019 -38.3179 -38.3179 -38.3175 -38.3175 -38.3105 -38.3105 -38.3101 -38.3101 -20.2736 -20.2736 -20.2733 -20.2733 -20.0986 -20.0986 -20.0975 -20.0975 -20.0922 -20.0922 -20.0910 -20.0910 -4.0873 -4.0873 -4.0133 -4.0133 0.6187 0.6187 0.6524 0.6524 2.0368 2.0368 2.3984 2.3984 2.4150 2.4150 2.7736 2.7736 5.1537 5.1537 5.4509 5.4509 5.9857 5.9857 6.3319 6.3319 10.4864 10.4864 k = 0.4167 0.4167-0.0000 ( 10312 PWs) bands (ev): -71.6556 -71.6556 -71.6555 -71.6555 -48.2312 -48.2312 -48.2311 -48.2311 -38.6023 -38.6023 -38.6019 -38.6019 -38.3178 -38.3178 -38.3174 -38.3174 -38.3106 -38.3106 -38.3101 -38.3101 -20.2736 -20.2736 -20.2732 -20.2732 -20.0987 -20.0987 -20.0973 -20.0973 -20.0923 -20.0923 -20.0909 -20.0909 -4.1102 -4.1102 -4.0149 -4.0149 0.6379 0.6379 0.6778 0.6778 1.9994 1.9994 2.3886 2.3886 2.4239 2.4239 2.8136 2.8136 5.1598 5.1598 5.5214 5.5214 6.0062 6.0062 6.4339 6.4339 10.3858 10.3858 k = 0.4062 0.4062-0.0000 ( 10316 PWs) bands (ev): -71.6556 -71.6556 -71.6555 -71.6555 -48.2312 -48.2312 -48.2311 -48.2311 -38.6024 -38.6024 -38.6019 -38.6019 -38.3178 -38.3178 -38.3174 -38.3174 -38.3107 -38.3107 -38.3101 -38.3101 -20.2737 -20.2737 -20.2732 -20.2732 -20.0987 -20.0987 -20.0973 -20.0973 -20.0924 -20.0924 -20.0909 -20.0909 -4.1356 -4.1356 -4.0167 -4.0167 0.6595 0.6595 0.7057 0.7057 1.9632 1.9632 2.3676 2.3676 2.4443 2.4443 2.8539 2.8539 5.1736 5.1736 5.5998 5.5998 6.0294 6.0294 6.5421 6.5421 10.2840 10.2840 k = 0.3958 0.3958-0.0000 ( 10316 PWs) bands (ev): -71.6556 -71.6556 -71.6555 -71.6555 -48.2312 -48.2312 -48.2311 -48.2311 -38.6024 -38.6024 -38.6018 -38.6018 -38.3178 -38.3178 -38.3172 -38.3172 -38.3108 -38.3108 -38.3101 -38.3101 -20.2737 -20.2737 -20.2731 -20.2731 -20.0988 -20.0988 -20.0972 -20.0972 -20.0924 -20.0924 -20.0908 -20.0908 -4.1632 -4.1632 -4.0188 -4.0188 0.6835 0.6835 0.7359 0.7359 1.9286 1.9286 2.3448 2.3448 2.4674 2.4674 2.8944 2.8944 5.1955 5.1955 5.6857 5.6857 6.0553 6.0553 6.6557 6.6557 10.1814 10.1814 k = 0.3854 0.3854-0.0000 ( 10316 PWs) bands (ev): -71.6556 -71.6556 -71.6555 -71.6555 -48.2312 -48.2312 -48.2311 -48.2311 -38.6025 -38.6025 -38.6017 -38.6017 -38.3178 -38.3178 -38.3171 -38.3171 -38.3110 -38.3110 -38.3101 -38.3101 -20.2737 -20.2737 -20.2730 -20.2730 -20.0988 -20.0988 -20.0971 -20.0971 -20.0925 -20.0925 -20.0907 -20.0907 -4.1928 -4.1928 -4.0211 -4.0211 0.7097 0.7097 0.7680 0.7680 1.8961 1.8961 2.3211 2.3211 2.4925 2.4925 2.9350 2.9350 5.2258 5.2258 5.7784 5.7784 6.0840 6.0840 6.7740 6.7740 10.0781 10.0781 k = 0.3750 0.3750-0.0000 ( 10312 PWs) bands (ev): -71.6556 -71.6556 -71.6554 -71.6554 -48.2312 -48.2312 -48.2311 -48.2311 -38.6025 -38.6025 -38.6016 -38.6016 -38.3178 -38.3178 -38.3169 -38.3169 -38.3112 -38.3112 -38.3101 -38.3101 -20.2738 -20.2738 -20.2729 -20.2729 -20.0988 -20.0988 -20.0970 -20.0970 -20.0925 -20.0925 -20.0907 -20.0907 -4.2242 -4.2242 -4.0237 -4.0237 0.7378 0.7378 0.8018 0.8018 1.8660 1.8660 2.2970 2.2970 2.5197 2.5197 2.9756 2.9756 5.2646 5.2646 5.8775 5.8775 6.1155 6.1155 6.8964 6.8964 9.9739 9.9739 k = 0.3646 0.3646-0.0000 ( 10318 PWs) bands (ev): -71.6556 -71.6556 -71.6554 -71.6554 -48.2312 -48.2312 -48.2311 -48.2311 -38.6026 -38.6026 -38.6016 -38.6016 -38.3178 -38.3178 -38.3168 -38.3168 -38.3113 -38.3113 -38.3102 -38.3102 -20.2738 -20.2738 -20.2729 -20.2729 -20.0988 -20.0988 -20.0969 -20.0969 -20.0926 -20.0926 -20.0906 -20.0906 -4.2572 -4.2572 -4.0266 -4.0266 0.7677 0.7677 0.8371 0.8371 1.8385 1.8385 2.2731 2.2731 2.5490 2.5490 3.0164 3.0164 5.3118 5.3118 5.9822 5.9822 6.1501 6.1501 7.0225 7.0225 9.8680 9.8680 k = 0.3542 0.3542-0.0000 ( 10326 PWs) bands (ev): -71.6557 -71.6557 -71.6554 -71.6554 -48.2312 -48.2312 -48.2311 -48.2311 -38.6027 -38.6027 -38.6015 -38.6015 -38.3178 -38.3178 -38.3166 -38.3166 -38.3115 -38.3115 -38.3102 -38.3102 -20.2739 -20.2739 -20.2728 -20.2728 -20.0989 -20.0989 -20.0968 -20.0968 -20.0927 -20.0927 -20.0905 -20.0905 -4.2915 -4.2915 -4.0298 -4.0298 0.7988 0.7988 0.8736 0.8736 1.8139 1.8139 2.2503 2.2503 2.5804 2.5804 3.0572 3.0572 5.3672 5.3672 6.0908 6.0908 6.1887 6.1887 7.1517 7.1517 9.7595 9.7595 k = 0.3438 0.3437-0.0000 ( 10336 PWs) bands (ev): -71.6557 -71.6557 -71.6554 -71.6554 -48.2312 -48.2312 -48.2311 -48.2311 -38.6028 -38.6028 -38.6014 -38.6014 -38.3178 -38.3178 -38.3165 -38.3165 -38.3117 -38.3117 -38.3102 -38.3102 -20.2740 -20.2740 -20.2727 -20.2727 -20.0989 -20.0989 -20.0968 -20.0968 -20.0927 -20.0927 -20.0905 -20.0905 -4.3270 -4.3270 -4.0333 -4.0333 0.8306 0.8306 0.9111 0.9111 1.7926 1.7926 2.2292 2.2292 2.6137 2.6137 3.0981 3.0981 5.4305 5.4305 6.1945 6.1945 6.2395 6.2395 7.2837 7.2837 9.6460 9.6460 k = 0.3333 0.3333-0.0000 ( 10332 PWs) bands (ev): -71.6557 -71.6557 -71.6554 -71.6554 -48.2312 -48.2312 -48.2311 -48.2311 -38.6029 -38.6029 -38.6013 -38.6013 -38.3177 -38.3177 -38.3163 -38.3163 -38.3119 -38.3119 -38.3102 -38.3102 -20.2740 -20.2740 -20.2726 -20.2726 -20.0989 -20.0989 -20.0967 -20.0967 -20.0928 -20.0928 -20.0904 -20.0904 -4.3634 -4.3634 -4.0371 -4.0371 0.8623 0.8623 0.9498 0.9498 1.7748 1.7748 2.2109 2.2109 2.6491 2.6491 3.1392 3.1392 5.5014 5.5014 6.2578 6.2578 6.3374 6.3374 7.4180 7.4180 9.5204 9.5204 k = 0.3229 0.3229-0.0000 ( 10338 PWs) bands (ev): -71.6557 -71.6557 -71.6554 -71.6554 -48.2312 -48.2312 -48.2311 -48.2311 -38.6030 -38.6030 -38.6012 -38.6012 -38.3177 -38.3177 -38.3161 -38.3161 -38.3121 -38.3121 -38.3102 -38.3102 -20.2741 -20.2741 -20.2725 -20.2725 -20.0989 -20.0989 -20.0967 -20.0967 -20.0928 -20.0928 -20.0903 -20.0903 -4.4005 -4.4005 -4.0412 -4.0412 0.8927 0.8927 0.9900 0.9900 1.7606 1.7606 2.1961 2.1961 2.6865 2.6865 3.1803 3.1803 5.5794 5.5794 6.3053 6.3053 6.4567 6.4567 7.5541 7.5541 9.3680 9.3680 k = 0.3125 0.3125-0.0000 ( 10350 PWs) bands (ev): -71.6557 -71.6557 -71.6554 -71.6554 -48.2313 -48.2313 -48.2311 -48.2311 -38.6031 -38.6031 -38.6012 -38.6012 -38.3177 -38.3177 -38.3160 -38.3160 -38.3123 -38.3123 -38.3102 -38.3102 -20.2742 -20.2742 -20.2724 -20.2724 -20.0989 -20.0989 -20.0966 -20.0966 -20.0928 -20.0928 -20.0903 -20.0903 -4.4381 -4.4381 -4.0456 -4.0456 0.9205 0.9205 1.0319 1.0319 1.7504 1.7504 2.1860 2.1860 2.7257 2.7257 3.2216 3.2216 5.6640 5.6640 6.3531 6.3531 6.5803 6.5803 7.6914 7.6914 9.1940 9.1940 k = 0.3021 0.3021-0.0000 ( 10330 PWs) bands (ev): -71.6557 -71.6557 -71.6553 -71.6553 -48.2313 -48.2313 -48.2311 -48.2311 -38.6031 -38.6031 -38.6010 -38.6010 -38.3177 -38.3177 -38.3158 -38.3158 -38.3125 -38.3125 -38.3101 -38.3101 -20.2742 -20.2742 -20.2722 -20.2722 -20.0989 -20.0989 -20.0965 -20.0965 -20.0928 -20.0928 -20.0902 -20.0902 -4.4761 -4.4761 -4.0503 -4.0503 0.9444 0.9444 1.0762 1.0762 1.7443 1.7443 2.1814 2.1814 2.7668 2.7668 3.2629 3.2629 5.7545 5.7545 6.4029 6.4029 6.7052 6.7052 7.8291 7.8291 9.0137 9.0137 k = 0.2917 0.2917-0.0000 ( 10326 PWs) bands (ev): -71.6558 -71.6558 -71.6553 -71.6553 -48.2313 -48.2313 -48.2310 -48.2310 -38.6032 -38.6032 -38.6009 -38.6009 -38.3177 -38.3177 -38.3156 -38.3156 -38.3127 -38.3127 -38.3101 -38.3101 -20.2743 -20.2743 -20.2721 -20.2721 -20.0989 -20.0989 -20.0965 -20.0965 -20.0928 -20.0928 -20.0901 -20.0901 -4.5142 -4.5142 -4.0553 -4.0553 0.9634 0.9634 1.1230 1.1230 1.7425 1.7425 2.1831 2.1831 2.8097 2.8097 3.3044 3.3044 5.8503 5.8503 6.4551 6.4551 6.8293 6.8293 7.9657 7.9657 8.8351 8.8351 k = 0.2812 0.2812-0.0000 ( 10334 PWs) bands (ev): -71.6558 -71.6558 -71.6553 -71.6553 -48.2313 -48.2313 -48.2310 -48.2310 -38.6033 -38.6033 -38.6008 -38.6008 -38.3177 -38.3177 -38.3154 -38.3154 -38.3130 -38.3130 -38.3100 -38.3100 -20.2744 -20.2744 -20.2720 -20.2720 -20.0989 -20.0989 -20.0965 -20.0965 -20.0928 -20.0928 -20.0900 -20.0900 -4.5523 -4.5523 -4.0606 -4.0606 0.9768 0.9768 1.1724 1.1724 1.7450 1.7450 2.1921 2.1921 2.8543 2.8543 3.3458 3.3458 5.9505 5.9505 6.5095 6.5095 6.9496 6.9496 8.0987 8.0987 8.6629 8.6629 k = 0.2708 0.2708-0.0000 ( 10338 PWs) bands (ev): -71.6558 -71.6558 -71.6553 -71.6553 -48.2313 -48.2313 -48.2310 -48.2310 -38.6034 -38.6034 -38.6007 -38.6007 -38.3177 -38.3177 -38.3152 -38.3152 -38.3132 -38.3132 -38.3100 -38.3100 -20.2745 -20.2745 -20.2719 -20.2719 -20.0989 -20.0989 -20.0964 -20.0964 -20.0929 -20.0929 -20.0899 -20.0899 -4.5902 -4.5902 -4.0661 -4.0661 0.9842 0.9842 1.2243 1.2243 1.7518 1.7518 2.2087 2.2087 2.9005 2.9005 3.3872 3.3872 6.0541 6.0541 6.5663 6.5663 7.0620 7.0620 8.2215 8.2215 8.5030 8.5030 k = 0.2604 0.2604-0.0000 ( 10344 PWs) bands (ev): -71.6558 -71.6558 -71.6553 -71.6553 -48.2313 -48.2313 -48.2310 -48.2310 -38.6035 -38.6035 -38.6006 -38.6006 -38.3177 -38.3177 -38.3150 -38.3150 -38.3134 -38.3134 -38.3100 -38.3100 -20.2745 -20.2745 -20.2718 -20.2718 -20.0989 -20.0989 -20.0964 -20.0964 -20.0929 -20.0929 -20.0899 -20.0899 -4.6278 -4.6278 -4.0718 -4.0718 0.9858 0.9858 1.2787 1.2787 1.7629 1.7629 2.2331 2.2331 2.9482 2.9482 3.4285 3.4285 6.1597 6.1597 6.6254 6.6254 7.1597 7.1597 8.2975 8.2975 8.3867 8.3867 k = 0.2500 0.2500-0.0000 ( 10346 PWs) bands (ev): -71.6558 -71.6558 -71.6552 -71.6552 -48.2313 -48.2313 -48.2310 -48.2310 -38.6036 -38.6036 -38.6005 -38.6005 -38.3178 -38.3178 -38.3149 -38.3149 -38.3136 -38.3136 -38.3099 -38.3099 -20.2746 -20.2746 -20.2716 -20.2716 -20.0989 -20.0989 -20.0964 -20.0964 -20.0929 -20.0929 -20.0898 -20.0898 -4.6648 -4.6648 -4.0778 -4.0778 0.9820 0.9820 1.3352 1.3352 1.7782 1.7782 2.2654 2.2654 2.9972 2.9972 3.4696 3.4696 6.2656 6.2656 6.6868 6.6868 7.2320 7.2320 8.2162 8.2162 8.4087 8.4087 k = 0.2396 0.2396-0.0000 ( 10346 PWs) bands (ev): -71.6559 -71.6559 -71.6552 -71.6552 -48.2313 -48.2313 -48.2310 -48.2310 -38.6037 -38.6037 -38.6004 -38.6004 -38.3178 -38.3178 -38.3147 -38.3147 -38.3137 -38.3137 -38.3099 -38.3099 -20.2747 -20.2747 -20.2715 -20.2715 -20.0989 -20.0989 -20.0963 -20.0963 -20.0929 -20.0929 -20.0897 -20.0897 -4.7013 -4.7013 -4.0839 -4.0839 0.9734 0.9734 1.3936 1.3936 1.7976 1.7976 2.3053 2.3053 3.0476 3.0476 3.5103 3.5103 6.3697 6.3697 6.7503 6.7503 7.2637 7.2637 8.1365 8.1365 8.4007 8.4007 k = 0.2292 0.2292-0.0000 ( 10350 PWs) bands (ev): -71.6559 -71.6559 -71.6552 -71.6552 -48.2314 -48.2314 -48.2310 -48.2310 -38.6038 -38.6038 -38.6003 -38.6003 -38.3178 -38.3178 -38.3146 -38.3146 -38.3139 -38.3139 -38.3099 -38.3099 -20.2747 -20.2747 -20.2714 -20.2714 -20.0989 -20.0989 -20.0963 -20.0963 -20.0929 -20.0929 -20.0896 -20.0896 -4.7370 -4.7370 -4.0902 -4.0902 0.9605 0.9605 1.4537 1.4537 1.8212 1.8212 2.3523 2.3523 3.0990 3.0990 3.5506 3.5506 6.4688 6.4688 6.8157 6.8157 7.2430 7.2430 8.1018 8.1018 8.3381 8.3381 k = 0.2188 0.2187-0.0000 ( 10354 PWs) bands (ev): -71.6559 -71.6559 -71.6552 -71.6552 -48.2314 -48.2314 -48.2310 -48.2310 -38.6039 -38.6039 -38.6002 -38.6002 -38.3179 -38.3179 -38.3144 -38.3144 -38.3141 -38.3141 -38.3098 -38.3098 -20.2748 -20.2748 -20.2713 -20.2713 -20.0989 -20.0989 -20.0963 -20.0963 -20.0929 -20.0929 -20.0895 -20.0895 -4.7719 -4.7719 -4.0966 -4.0966 0.9443 0.9443 1.5152 1.5152 1.8488 1.8488 2.4059 2.4059 3.1513 3.1513 3.5904 3.5904 6.5588 6.5588 6.8822 6.8822 7.1732 7.1732 8.1053 8.1053 8.1871 8.1871 k = 0.2083 0.2083-0.0000 ( 10354 PWs) bands (ev): -71.6559 -71.6559 -71.6552 -71.6552 -48.2314 -48.2314 -48.2310 -48.2310 -38.6041 -38.6041 -38.6001 -38.6001 -38.3179 -38.3179 -38.3143 -38.3143 -38.3143 -38.3143 -38.3097 -38.3097 -20.2748 -20.2748 -20.2712 -20.2712 -20.0989 -20.0989 -20.0962 -20.0962 -20.0929 -20.0929 -20.0895 -20.0895 -4.8057 -4.8057 -4.1031 -4.1031 0.9254 0.9254 1.5778 1.5778 1.8806 1.8806 2.4652 2.4652 3.2044 3.2044 3.6294 3.6294 6.6344 6.6344 6.9457 6.9457 7.0740 7.0740 8.0080 8.0080 8.1442 8.1442 k = 0.1979 0.1979-0.0000 ( 10340 PWs) bands (ev): -71.6559 -71.6559 -71.6551 -71.6551 -48.2314 -48.2314 -48.2310 -48.2310 -38.6041 -38.6041 -38.6000 -38.6000 -38.3180 -38.3180 -38.3144 -38.3144 -38.3141 -38.3141 -38.3096 -38.3096 -20.2749 -20.2749 -20.2710 -20.2710 -20.0989 -20.0989 -20.0962 -20.0962 -20.0929 -20.0929 -20.0894 -20.0894 -4.8385 -4.8385 -4.1097 -4.1097 0.9045 0.9045 1.6412 1.6412 1.9166 1.9166 2.5297 2.5297 3.2580 3.2580 3.6676 3.6676 6.6893 6.6893 6.9254 6.9254 7.0414 7.0414 7.8416 7.8416 8.1758 8.1758 k = 0.1875 0.1875-0.0000 ( 10352 PWs) bands (ev): -71.6560 -71.6560 -71.6551 -71.6551 -48.2314 -48.2314 -48.2310 -48.2310 -38.6043 -38.6043 -38.5999 -38.5999 -38.3181 -38.3181 -38.3146 -38.3146 -38.3140 -38.3140 -38.3095 -38.3095 -20.2750 -20.2750 -20.2709 -20.2709 -20.0990 -20.0990 -20.0961 -20.0961 -20.0929 -20.0929 -20.0893 -20.0893 -4.8701 -4.8701 -4.1162 -4.1162 0.8822 0.8822 1.7050 1.7050 1.9569 1.9569 2.5988 2.5988 3.3118 3.3118 3.7048 3.7048 6.7175 6.7175 6.8004 6.8004 7.1063 7.1063 7.6776 7.6776 8.2005 8.2005 k = 0.1771 0.1771-0.0000 ( 10344 PWs) bands (ev): -71.6560 -71.6560 -71.6551 -71.6551 -48.2314 -48.2314 -48.2309 -48.2309 -38.6043 -38.6043 -38.5997 -38.5997 -38.3181 -38.3181 -38.3147 -38.3147 -38.3139 -38.3139 -38.3094 -38.3094 -20.2750 -20.2750 -20.2708 -20.2708 -20.0990 -20.0990 -20.0961 -20.0961 -20.0930 -20.0930 -20.0892 -20.0892 -4.9005 -4.9005 -4.1227 -4.1227 0.8591 0.8591 1.7689 1.7689 2.0015 2.0015 2.6716 2.6716 3.3656 3.3656 3.7409 3.7409 6.6629 6.6629 6.7187 6.7187 7.1780 7.1780 7.5186 7.5186 8.2332 8.2332 k = 0.1667 0.1667-0.0000 ( 10332 PWs) bands (ev): -71.6560 -71.6560 -71.6551 -71.6551 -48.2314 -48.2314 -48.2309 -48.2309 -38.6044 -38.6044 -38.5996 -38.5996 -38.3182 -38.3182 -38.3148 -38.3148 -38.3137 -38.3137 -38.3093 -38.3093 -20.2750 -20.2750 -20.2707 -20.2707 -20.0989 -20.0989 -20.0960 -20.0960 -20.0930 -20.0930 -20.0891 -20.0891 -4.9295 -4.9295 -4.1292 -4.1292 0.8356 0.8356 1.8325 1.8325 2.0504 2.0504 2.7477 2.7477 3.4190 3.4190 3.7758 3.7758 6.5277 6.5277 6.6875 6.6875 7.2423 7.2423 7.3736 7.3736 8.2683 8.2683 k = 0.1562 0.1562-0.0000 ( 10356 PWs) bands (ev): -71.6560 -71.6560 -71.6551 -71.6551 -48.2314 -48.2314 -48.2309 -48.2309 -38.6046 -38.6046 -38.5996 -38.5996 -38.3183 -38.3183 -38.3149 -38.3149 -38.3137 -38.3137 -38.3092 -38.3092 -20.2751 -20.2751 -20.2706 -20.2706 -20.0990 -20.0990 -20.0960 -20.0960 -20.0931 -20.0931 -20.0890 -20.0890 -4.9571 -4.9571 -4.1355 -4.1355 0.8122 0.8122 1.8956 1.8956 2.1033 2.1033 2.8262 2.8262 3.4718 3.4718 3.8094 3.8094 6.3940 6.3940 6.6314 6.6314 7.1875 7.1875 7.3541 7.3541 8.2830 8.2830 k = 0.1458 0.1458-0.0000 ( 10360 PWs) bands (ev): -71.6560 -71.6560 -71.6550 -71.6550 -48.2314 -48.2314 -48.2309 -48.2309 -38.6047 -38.6047 -38.5994 -38.5994 -38.3185 -38.3185 -38.3151 -38.3151 -38.3135 -38.3135 -38.3091 -38.3091 -20.2752 -20.2752 -20.2705 -20.2705 -20.0990 -20.0990 -20.0959 -20.0959 -20.0931 -20.0931 -20.0889 -20.0889 -4.9833 -4.9833 -4.1416 -4.1416 0.7891 0.7891 1.9580 1.9580 2.1599 2.1599 2.9064 2.9064 3.5234 3.5234 3.8417 3.8417 6.2640 6.2640 6.5554 6.5554 7.0475 7.0475 7.4258 7.4258 8.2902 8.2902 k = 0.1354 0.1354-0.0000 ( 10362 PWs) bands (ev): -71.6561 -71.6561 -71.6550 -71.6550 -48.2315 -48.2315 -48.2309 -48.2309 -38.6048 -38.6048 -38.5994 -38.5994 -38.3186 -38.3186 -38.3151 -38.3151 -38.3135 -38.3135 -38.3090 -38.3090 -20.2752 -20.2752 -20.2704 -20.2704 -20.0991 -20.0991 -20.0958 -20.0958 -20.0931 -20.0931 -20.0889 -20.0889 -5.0078 -5.0078 -4.1476 -4.1476 0.7666 0.7666 2.0196 2.0196 2.2197 2.2197 2.9874 2.9874 3.5736 3.5736 3.8729 3.8729 6.1392 6.1392 6.4645 6.4645 6.9068 6.9068 7.5046 7.5046 8.2933 8.2933 k = 0.1250 0.1250-0.0000 ( 10362 PWs) bands (ev): -71.6561 -71.6561 -71.6550 -71.6550 -48.2315 -48.2315 -48.2309 -48.2309 -38.6048 -38.6048 -38.5993 -38.5993 -38.3186 -38.3186 -38.3152 -38.3152 -38.3135 -38.3135 -38.3089 -38.3089 -20.2753 -20.2753 -20.2703 -20.2703 -20.0991 -20.0991 -20.0957 -20.0957 -20.0932 -20.0932 -20.0888 -20.0888 -5.0308 -5.0308 -4.1533 -4.1533 0.7451 0.7451 2.0805 2.0805 2.2818 2.2818 3.0682 3.0682 3.6220 3.6220 3.9031 3.9031 6.0207 6.0207 6.3633 6.3633 6.7707 6.7707 7.5851 7.5851 8.2940 8.2940 k = 0.1146 0.1146-0.0000 ( 10354 PWs) bands (ev): -71.6561 -71.6561 -71.6550 -71.6550 -48.2315 -48.2315 -48.2309 -48.2309 -38.6049 -38.6049 -38.5992 -38.5992 -38.3187 -38.3187 -38.3152 -38.3152 -38.3134 -38.3134 -38.3087 -38.3087 -20.2753 -20.2753 -20.2702 -20.2702 -20.0991 -20.0991 -20.0956 -20.0956 -20.0933 -20.0933 -20.0887 -20.0887 -5.0521 -5.0521 -4.1587 -4.1587 0.7247 0.7247 2.1406 2.1406 2.3454 2.3454 3.1473 3.1473 3.6685 3.6685 3.9327 3.9327 5.9092 5.9092 6.2552 6.2552 6.6406 6.6406 7.6661 7.6661 8.2932 8.2932 k = 0.1042 0.1042-0.0000 ( 10342 PWs) bands (ev): -71.6561 -71.6561 -71.6550 -71.6550 -48.2315 -48.2315 -48.2309 -48.2309 -38.6049 -38.6049 -38.5991 -38.5991 -38.3188 -38.3188 -38.3152 -38.3152 -38.3134 -38.3134 -38.3086 -38.3086 -20.2753 -20.2753 -20.2701 -20.2701 -20.0991 -20.0991 -20.0956 -20.0956 -20.0933 -20.0933 -20.0886 -20.0886 -5.0717 -5.0717 -4.1637 -4.1637 0.7056 0.7056 2.1997 2.1997 2.4097 2.4097 3.2229 3.2229 3.7132 3.7132 3.9621 3.9621 5.8057 5.8057 6.1429 6.1429 6.5172 6.5172 7.7468 7.7468 8.2908 8.2908 k = 0.0938 0.0937-0.0000 ( 10339 PWs) bands (ev): -71.6561 -71.6561 -71.6550 -71.6550 -48.2315 -48.2315 -48.2309 -48.2309 -38.6050 -38.6050 -38.5991 -38.5991 -38.3189 -38.3189 -38.3152 -38.3152 -38.3133 -38.3133 -38.3085 -38.3085 -20.2754 -20.2754 -20.2700 -20.2700 -20.0991 -20.0991 -20.0955 -20.0955 -20.0934 -20.0934 -20.0885 -20.0885 -5.0896 -5.0896 -4.1685 -4.1685 0.6879 0.6879 2.2577 2.2577 2.4737 2.4737 3.2925 3.2925 3.7567 3.7567 3.9919 3.9919 5.7109 5.7109 6.0286 6.0286 6.4013 6.4013 7.8265 7.8265 8.2745 8.2745 k = 0.0833 0.0833-0.0000 ( 10331 PWs) bands (ev): -71.6561 -71.6561 -71.6550 -71.6550 -48.2315 -48.2315 -48.2309 -48.2309 -38.6050 -38.6050 -38.5990 -38.5990 -38.3189 -38.3189 -38.3152 -38.3152 -38.3133 -38.3133 -38.3084 -38.3084 -20.2754 -20.2754 -20.2700 -20.2700 -20.0991 -20.0991 -20.0954 -20.0954 -20.0934 -20.0934 -20.0884 -20.0884 -5.1057 -5.1057 -4.1728 -4.1728 0.6718 0.6718 2.3139 2.3139 2.5365 2.5365 3.3533 3.3533 3.8001 3.8001 4.0225 4.0225 5.6254 5.6254 5.9141 5.9141 6.2938 6.2938 7.9041 7.9041 8.2060 8.2060 k = 0.0729 0.0729-0.0000 ( 10325 PWs) bands (ev): -71.6561 -71.6561 -71.6550 -71.6550 -48.2315 -48.2315 -48.2309 -48.2309 -38.6050 -38.6050 -38.5989 -38.5989 -38.3190 -38.3190 -38.3152 -38.3152 -38.3132 -38.3132 -38.3083 -38.3083 -20.2754 -20.2754 -20.2699 -20.2699 -20.0991 -20.0991 -20.0953 -20.0953 -20.0935 -20.0935 -20.0884 -20.0884 -5.1200 -5.1200 -4.1766 -4.1766 0.6574 0.6574 2.3677 2.3677 2.5971 2.5971 3.4024 3.4024 3.8446 3.8446 4.0547 4.0547 5.5499 5.5499 5.8013 5.8013 6.1956 6.1956 7.9785 7.9785 8.1355 8.1355 k = 0.0625 0.0625-0.0000 ( 10321 PWs) bands (ev): -71.6561 -71.6561 -71.6550 -71.6550 -48.2315 -48.2315 -48.2309 -48.2309 -38.6051 -38.6051 -38.5989 -38.5989 -38.3191 -38.3191 -38.3152 -38.3152 -38.3132 -38.3132 -38.3083 -38.3083 -20.2754 -20.2754 -20.2698 -20.2698 -20.0992 -20.0992 -20.0952 -20.0952 -20.0935 -20.0935 -20.0883 -20.0883 -5.1324 -5.1324 -4.1801 -4.1801 0.6447 0.6447 2.4182 2.4182 2.6543 2.6543 3.4380 3.4380 3.8899 3.8899 4.0890 4.0890 5.4845 5.4845 5.6919 5.6919 6.1075 6.1075 8.0481 8.0481 8.0723 8.0723 k = 0.0521 0.0521-0.0000 ( 10331 PWs) bands (ev): -71.6561 -71.6561 -71.6549 -71.6549 -48.2315 -48.2315 -48.2309 -48.2309 -38.6051 -38.6051 -38.5989 -38.5989 -38.3191 -38.3191 -38.3152 -38.3152 -38.3133 -38.3133 -38.3083 -38.3083 -20.2755 -20.2755 -20.2698 -20.2698 -20.0992 -20.0992 -20.0951 -20.0951 -20.0936 -20.0936 -20.0883 -20.0883 -5.1429 -5.1429 -4.1830 -4.1830 0.6339 0.6339 2.4642 2.4642 2.7071 2.7071 3.4601 3.4601 3.9342 3.9342 4.1263 4.1263 5.4296 5.4296 5.5883 5.5883 6.0306 6.0306 8.0170 8.0170 8.1116 8.1116 k = 0.0417 0.0417-0.0000 ( 10345 PWs) bands (ev): -71.6561 -71.6561 -71.6549 -71.6549 -48.2315 -48.2315 -48.2309 -48.2309 -38.6051 -38.6051 -38.5989 -38.5989 -38.3192 -38.3192 -38.3152 -38.3152 -38.3133 -38.3133 -38.3082 -38.3082 -20.2755 -20.2755 -20.2698 -20.2698 -20.0992 -20.0992 -20.0951 -20.0951 -20.0937 -20.0937 -20.0883 -20.0883 -5.1516 -5.1516 -4.1854 -4.1854 0.6250 0.6250 2.5045 2.5045 2.7540 2.7540 3.4708 3.4708 3.9738 3.9738 4.1667 4.1667 5.3848 5.3848 5.4934 5.4934 5.9659 5.9659 7.9710 7.9710 8.1658 8.1658 k = 0.0312 0.0312-0.0000 ( 10351 PWs) bands (ev): -71.6562 -71.6562 -71.6549 -71.6549 -48.2315 -48.2315 -48.2309 -48.2309 -38.6052 -38.6052 -38.5989 -38.5989 -38.3192 -38.3192 -38.3152 -38.3152 -38.3133 -38.3133 -38.3082 -38.3082 -20.2756 -20.2756 -20.2697 -20.2697 -20.0993 -20.0993 -20.0951 -20.0951 -20.0937 -20.0937 -20.0882 -20.0882 -5.1584 -5.1584 -4.1874 -4.1874 0.6180 0.6180 2.5378 2.5378 2.7934 2.7934 3.4733 3.4733 4.0056 4.0056 4.2081 4.2081 5.3499 5.3499 5.4113 5.4113 5.9143 5.9143 7.9346 7.9346 8.2080 8.2080 k = 0.0208 0.0208-0.0000 ( 10379 PWs) bands (ev): -71.6562 -71.6562 -71.6549 -71.6549 -48.2315 -48.2315 -48.2309 -48.2309 -38.6052 -38.6052 -38.5990 -38.5990 -38.3193 -38.3193 -38.3153 -38.3153 -38.3134 -38.3134 -38.3083 -38.3083 -20.2756 -20.2756 -20.2698 -20.2698 -20.0993 -20.0993 -20.0951 -20.0951 -20.0938 -20.0938 -20.0882 -20.0882 -5.1632 -5.1632 -4.1887 -4.1887 0.6129 0.6129 2.5626 2.5626 2.8236 2.8236 3.4714 3.4714 4.0281 4.0281 4.2457 4.2457 5.3226 5.3226 5.3487 5.3487 5.8768 5.8768 7.9082 7.9082 8.2356 8.2356 k = 0.0104 0.0104-0.0000 ( 10387 PWs) bands (ev): -71.6562 -71.6562 -71.6549 -71.6549 -48.2315 -48.2315 -48.2309 -48.2309 -38.6053 -38.6053 -38.5989 -38.5989 -38.3194 -38.3194 -38.3153 -38.3153 -38.3133 -38.3133 -38.3082 -38.3082 -20.2757 -20.2757 -20.2697 -20.2697 -20.0993 -20.0993 -20.0951 -20.0951 -20.0938 -20.0938 -20.0882 -20.0882 -5.1661 -5.1661 -4.1896 -4.1896 0.6099 0.6099 2.5780 2.5780 2.8426 2.8426 3.4686 3.4686 4.0413 4.0413 4.2724 4.2724 5.2950 5.2950 5.3190 5.3190 5.8540 5.8540 7.8923 7.8923 8.2494 8.2494 k = 0.0000 0.0000 0.0000 ( 10385 PWs) bands (ev): -71.6562 -71.6562 -71.6549 -71.6549 -48.2315 -48.2315 -48.2309 -48.2309 -38.6053 -38.6053 -38.5989 -38.5989 -38.3195 -38.3195 -38.3153 -38.3153 -38.3133 -38.3133 -38.3081 -38.3081 -20.2756 -20.2756 -20.2698 -20.2698 -20.0993 -20.0993 -20.0950 -20.0950 -20.0938 -20.0938 -20.0883 -20.0883 -5.1671 -5.1671 -4.1898 -4.1898 0.6089 0.6089 2.5833 2.5833 2.8492 2.8492 3.4674 3.4674 4.0456 4.0456 4.2822 4.2822 5.2818 5.2818 5.3124 5.3124 5.8463 5.8463 7.8869 7.8869 8.2533 8.2533 k = 0.0000 0.0000 0.0000 ( 10385 PWs) bands (ev): -71.6562 -71.6562 -71.6549 -71.6549 -48.2315 -48.2315 -48.2309 -48.2309 -38.6053 -38.6053 -38.5989 -38.5989 -38.3195 -38.3195 -38.3153 -38.3153 -38.3133 -38.3133 -38.3081 -38.3081 -20.2756 -20.2756 -20.2698 -20.2698 -20.0993 -20.0993 -20.0950 -20.0950 -20.0938 -20.0938 -20.0883 -20.0883 -5.1671 -5.1671 -4.1898 -4.1898 0.6089 0.6089 2.5833 2.5833 2.8492 2.8492 3.4674 3.4674 4.0456 4.0456 4.2822 4.2822 5.2818 5.2818 5.3124 5.3124 5.8463 5.8463 7.8869 7.8869 8.2533 8.2533 k = 0.0000 0.0000 0.0145 ( 10381 PWs) bands (ev): -71.6562 -71.6562 -71.6549 -71.6549 -48.2315 -48.2315 -48.2309 -48.2309 -38.6053 -38.6053 -38.5989 -38.5989 -38.3194 -38.3194 -38.3153 -38.3153 -38.3133 -38.3133 -38.3082 -38.3082 -20.2756 -20.2756 -20.2698 -20.2698 -20.0993 -20.0993 -20.0950 -20.0950 -20.0938 -20.0938 -20.0883 -20.0883 -5.1666 -5.1666 -4.1907 -4.1907 0.6114 0.6114 2.5837 2.5837 2.8496 2.8496 3.4612 3.4612 4.0410 4.0410 4.2809 4.2809 5.2635 5.2635 5.3426 5.3426 5.8470 5.8470 7.8833 7.8833 8.2568 8.2568 k = 0.0000 0.0000 0.0290 ( 10373 PWs) bands (ev): -71.6562 -71.6562 -71.6549 -71.6549 -48.2315 -48.2315 -48.2309 -48.2309 -38.6053 -38.6053 -38.5989 -38.5989 -38.3194 -38.3194 -38.3153 -38.3153 -38.3133 -38.3133 -38.3082 -38.3082 -20.2756 -20.2756 -20.2697 -20.2697 -20.0993 -20.0993 -20.0950 -20.0950 -20.0938 -20.0938 -20.0882 -20.0882 -5.1651 -5.1651 -4.1933 -4.1933 0.6191 0.6191 2.5850 2.5850 2.8510 2.8510 3.4428 3.4428 4.0278 4.0278 4.2772 4.2772 5.2452 5.2452 5.3957 5.3957 5.8491 5.8491 7.8723 7.8723 8.2672 8.2672 k = 0.0000 0.0000 0.0435 ( 10369 PWs) bands (ev): -71.6562 -71.6562 -71.6549 -71.6549 -48.2315 -48.2315 -48.2309 -48.2309 -38.6053 -38.6053 -38.5988 -38.5988 -38.3194 -38.3194 -38.3153 -38.3153 -38.3132 -38.3132 -38.3081 -38.3081 -20.2756 -20.2756 -20.2697 -20.2697 -20.0993 -20.0993 -20.0950 -20.0950 -20.0938 -20.0938 -20.0882 -20.0882 -5.1628 -5.1628 -4.1975 -4.1975 0.6318 0.6318 2.5872 2.5872 2.8531 2.8531 3.4124 3.4124 4.0079 4.0079 4.2711 4.2711 5.2353 5.2353 5.4614 5.4614 5.8525 5.8525 7.8547 7.8547 8.2844 8.2844 k = 0.0000 0.0000 0.0580 ( 10357 PWs) bands (ev): -71.6562 -71.6562 -71.6549 -71.6549 -48.2315 -48.2315 -48.2309 -48.2309 -38.6053 -38.6053 -38.5988 -38.5988 -38.3193 -38.3193 -38.3154 -38.3154 -38.3132 -38.3132 -38.3081 -38.3081 -20.2756 -20.2756 -20.2697 -20.2697 -20.0993 -20.0993 -20.0949 -20.0949 -20.0938 -20.0938 -20.0882 -20.0882 -5.1595 -5.1595 -4.2034 -4.2034 0.6495 0.6495 2.5901 2.5901 2.8562 2.8562 3.3703 3.3703 3.9838 3.9838 4.2628 4.2628 5.2329 5.2329 5.5376 5.5376 5.8573 5.8573 7.8309 7.8309 8.3083 8.3083 k = 0.0000 0.0000 0.0725 ( 10361 PWs) bands (ev): -71.6562 -71.6562 -71.6549 -71.6549 -48.2315 -48.2315 -48.2309 -48.2309 -38.6053 -38.6053 -38.5988 -38.5988 -38.3193 -38.3193 -38.3154 -38.3154 -38.3132 -38.3132 -38.3081 -38.3081 -20.2756 -20.2756 -20.2697 -20.2697 -20.0993 -20.0993 -20.0949 -20.0949 -20.0938 -20.0938 -20.0882 -20.0882 -5.1553 -5.1553 -4.2107 -4.2107 0.6719 0.6719 2.5938 2.5938 2.8600 2.8600 3.3174 3.3174 3.9576 3.9576 4.2524 4.2524 5.2366 5.2366 5.6224 5.6224 5.8633 5.8633 7.8020 7.8020 8.3387 8.3387 k = 0.0000 0.0000 0.0870 ( 10361 PWs) bands (ev): -71.6562 -71.6562 -71.6549 -71.6549 -48.2315 -48.2315 -48.2309 -48.2309 -38.6053 -38.6053 -38.5988 -38.5988 -38.3193 -38.3193 -38.3154 -38.3154 -38.3132 -38.3132 -38.3081 -38.3081 -20.2756 -20.2756 -20.2697 -20.2697 -20.0993 -20.0993 -20.0949 -20.0949 -20.0938 -20.0938 -20.0882 -20.0882 -5.1504 -5.1504 -4.2194 -4.2194 0.6991 0.6991 2.5982 2.5982 2.8645 2.8645 3.2550 3.2550 3.9309 3.9309 4.2403 4.2403 5.2454 5.2454 5.7137 5.7137 5.8705 5.8705 7.7689 7.7689 8.3753 8.3753 k = 0.0000 0.0000 0.1015 ( 10357 PWs) bands (ev): -71.6562 -71.6562 -71.6549 -71.6549 -48.2315 -48.2315 -48.2309 -48.2309 -38.6052 -38.6052 -38.5988 -38.5988 -38.3193 -38.3193 -38.3154 -38.3154 -38.3132 -38.3132 -38.3081 -38.3081 -20.2756 -20.2756 -20.2697 -20.2697 -20.0993 -20.0993 -20.0949 -20.0949 -20.0938 -20.0938 -20.0882 -20.0882 -5.1447 -5.1447 -4.2292 -4.2292 0.7306 0.7306 2.6032 2.6032 2.8697 2.8697 3.1847 3.1847 3.9047 3.9047 4.2265 4.2265 5.2584 5.2584 5.8096 5.8096 5.8788 5.8788 7.7325 7.7325 8.4178 8.4178 k = 0.0000 0.0000 0.1160 ( 10329 PWs) bands (ev): -71.6562 -71.6562 -71.6549 -71.6549 -48.2315 -48.2315 -48.2309 -48.2309 -38.6052 -38.6052 -38.5988 -38.5988 -38.3192 -38.3192 -38.3154 -38.3154 -38.3131 -38.3131 -38.3081 -38.3081 -20.2755 -20.2755 -20.2697 -20.2697 -20.0992 -20.0992 -20.0949 -20.0949 -20.0938 -20.0938 -20.0882 -20.0882 -5.1383 -5.1383 -4.2401 -4.2401 0.7664 0.7664 2.6087 2.6087 2.8754 2.8754 3.1081 3.1081 3.8794 3.8794 4.2116 4.2116 5.2750 5.2750 5.8880 5.8880 5.9081 5.9081 7.6940 7.6940 8.4658 8.4658 k = 0.0000 0.0000 0.1305 ( 10358 PWs) bands (ev): -71.6562 -71.6562 -71.6549 -71.6549 -48.2315 -48.2315 -48.2309 -48.2309 -38.6052 -38.6052 -38.5989 -38.5989 -38.3192 -38.3192 -38.3154 -38.3154 -38.3132 -38.3132 -38.3082 -38.3082 -20.2755 -20.2755 -20.2698 -20.2698 -20.0992 -20.0992 -20.0949 -20.0949 -20.0939 -20.0939 -20.0882 -20.0882 -5.1315 -5.1315 -4.2517 -4.2517 0.8060 0.8060 2.6145 2.6145 2.8816 2.8816 3.0271 3.0271 3.8553 3.8553 4.1958 4.1958 5.2943 5.2943 5.8980 5.8980 6.0075 6.0075 7.6541 7.6541 8.5189 8.5189 k = 0.0000 0.0000 0.1450 ( 10354 PWs) bands (ev): -71.6562 -71.6562 -71.6549 -71.6549 -48.2315 -48.2315 -48.2309 -48.2309 -38.6052 -38.6052 -38.5989 -38.5989 -38.3192 -38.3192 -38.3154 -38.3154 -38.3132 -38.3132 -38.3082 -38.3082 -20.2755 -20.2755 -20.2698 -20.2698 -20.0992 -20.0992 -20.0949 -20.0949 -20.0939 -20.0939 -20.0882 -20.0882 -5.1242 -5.1242 -4.2639 -4.2639 0.8492 0.8492 2.6204 2.6204 2.8881 2.8881 2.9432 2.9432 3.8324 3.8324 4.1794 4.1794 5.3159 5.3159 5.9087 5.9087 6.1060 6.1060 7.6139 7.6139 8.5300 8.5300 k = 0.0000 0.0000 0.1595 ( 10358 PWs) bands (ev): -71.6562 -71.6562 -71.6549 -71.6549 -48.2315 -48.2315 -48.2309 -48.2309 -38.6052 -38.6052 -38.5989 -38.5989 -38.3193 -38.3193 -38.3154 -38.3154 -38.3132 -38.3132 -38.3082 -38.3082 -20.2756 -20.2756 -20.2697 -20.2697 -20.0992 -20.0992 -20.0950 -20.0950 -20.0939 -20.0939 -20.0882 -20.0882 -5.1167 -5.1167 -4.2764 -4.2764 0.8954 0.8954 2.6259 2.6259 2.8583 2.8583 2.8949 2.8949 3.8108 3.8108 4.1628 4.1628 5.3393 5.3393 5.9197 5.9197 6.2017 6.2017 7.5741 7.5741 8.4539 8.4539 k = 0.0000 0.0000 0.1740 ( 10362 PWs) bands (ev): -71.6562 -71.6562 -71.6549 -71.6549 -48.2315 -48.2315 -48.2309 -48.2309 -38.6052 -38.6052 -38.5989 -38.5989 -38.3193 -38.3193 -38.3154 -38.3154 -38.3132 -38.3132 -38.3082 -38.3082 -20.2756 -20.2756 -20.2698 -20.2698 -20.0993 -20.0993 -20.0950 -20.0950 -20.0939 -20.0939 -20.0882 -20.0882 -5.1090 -5.1090 -4.2889 -4.2889 0.9442 0.9442 2.6299 2.6299 2.7746 2.7746 2.9016 2.9016 3.7906 3.7906 4.1463 4.1463 5.3637 5.3637 5.9310 5.9310 6.2927 6.2927 7.5354 7.5354 8.3871 8.3871 k = 0.0000 0.0000 0.1885 ( 10362 PWs) bands (ev): -71.6562 -71.6562 -71.6549 -71.6549 -48.2315 -48.2315 -48.2309 -48.2309 -38.6052 -38.6052 -38.5989 -38.5989 -38.3193 -38.3193 -38.3154 -38.3154 -38.3132 -38.3132 -38.3082 -38.3082 -20.2756 -20.2756 -20.2698 -20.2698 -20.0993 -20.0993 -20.0950 -20.0950 -20.0939 -20.0939 -20.0882 -20.0882 -5.1014 -5.1014 -4.3012 -4.3012 0.9949 0.9949 2.6261 2.6261 2.6995 2.6995 2.9083 2.9083 3.7718 3.7718 4.1304 4.1304 5.3886 5.3886 5.9421 5.9421 6.3771 6.3771 7.4987 7.4987 8.3317 8.3317 k = 0.0000 0.0000 0.2030 ( 10370 PWs) bands (ev): -71.6562 -71.6562 -71.6549 -71.6549 -48.2315 -48.2315 -48.2309 -48.2309 -38.6053 -38.6053 -38.5989 -38.5989 -38.3193 -38.3193 -38.3154 -38.3154 -38.3132 -38.3132 -38.3082 -38.3082 -20.2756 -20.2756 -20.2697 -20.2697 -20.0993 -20.0993 -20.0950 -20.0950 -20.0939 -20.0939 -20.0882 -20.0882 -5.0940 -5.0940 -4.3130 -4.3130 1.0467 1.0467 2.5836 2.5836 2.6651 2.6651 2.9147 2.9147 3.7546 3.7546 4.1154 4.1154 5.4133 5.4133 5.9530 5.9530 6.4531 6.4531 7.4645 7.4645 8.2888 8.2888 k = 0.0000 0.0000 0.2175 ( 10370 PWs) bands (ev): -71.6562 -71.6562 -71.6549 -71.6549 -48.2315 -48.2315 -48.2309 -48.2309 -38.6053 -38.6053 -38.5989 -38.5989 -38.3193 -38.3193 -38.3154 -38.3154 -38.3132 -38.3132 -38.3082 -38.3082 -20.2756 -20.2756 -20.2698 -20.2698 -20.0993 -20.0993 -20.0950 -20.0950 -20.0939 -20.0939 -20.0882 -20.0882 -5.0871 -5.0871 -4.3239 -4.3239 1.0984 1.0984 2.5119 2.5119 2.6632 2.6632 2.9207 2.9207 3.7392 3.7392 4.1015 4.1015 5.4371 5.4371 5.9632 5.9632 6.5192 6.5192 7.4335 7.4335 8.2592 8.2592 k = 0.0000 0.0000 0.2320 ( 10366 PWs) bands (ev): -71.6562 -71.6562 -71.6549 -71.6549 -48.2315 -48.2315 -48.2309 -48.2309 -38.6052 -38.6052 -38.5989 -38.5989 -38.3193 -38.3193 -38.3154 -38.3154 -38.3133 -38.3133 -38.3082 -38.3082 -20.2756 -20.2756 -20.2697 -20.2697 -20.0993 -20.0993 -20.0950 -20.0950 -20.0939 -20.0939 -20.0882 -20.0882 -5.0808 -5.0808 -4.3338 -4.3338 1.1487 1.1487 2.4400 2.4400 2.6664 2.6664 2.9261 2.9261 3.7257 3.7257 4.0892 4.0892 5.4591 5.4591 5.9726 5.9726 6.5742 6.5742 7.4062 7.4062 8.2426 8.2426 k = 0.0000 0.0000 0.2465 ( 10390 PWs) bands (ev): -71.6562 -71.6562 -71.6549 -71.6549 -48.2315 -48.2315 -48.2309 -48.2309 -38.6053 -38.6053 -38.5989 -38.5989 -38.3193 -38.3193 -38.3155 -38.3155 -38.3133 -38.3133 -38.3082 -38.3082 -20.2756 -20.2756 -20.2698 -20.2698 -20.0993 -20.0993 -20.0950 -20.0950 -20.0940 -20.0940 -20.0882 -20.0882 -5.0753 -5.0753 -4.3423 -4.3423 1.1958 1.1958 2.3741 2.3741 2.6700 2.6700 2.9308 2.9308 3.7144 3.7144 4.0787 4.0787 5.4786 5.4786 5.9807 5.9807 6.6177 6.6177 7.3831 7.3831 8.2375 8.2375 k = 0.0000 0.0000 0.2610 ( 10382 PWs) bands (ev): -71.6562 -71.6562 -71.6549 -71.6549 -48.2315 -48.2315 -48.2309 -48.2309 -38.6053 -38.6053 -38.5989 -38.5989 -38.3193 -38.3193 -38.3155 -38.3155 -38.3133 -38.3133 -38.3081 -38.3081 -20.2756 -20.2756 -20.2698 -20.2698 -20.0993 -20.0993 -20.0950 -20.0950 -20.0940 -20.0940 -20.0882 -20.0882 -5.0708 -5.0708 -4.3492 -4.3492 1.2372 1.2372 2.3177 2.3177 2.6733 2.6733 2.9346 2.9346 3.7054 3.7054 4.0703 4.0703 5.4948 5.4948 5.9874 5.9874 6.6500 6.6500 7.3646 7.3646 8.2408 8.2408 k = 0.0000 0.0000 0.2755 ( 10390 PWs) bands (ev): -71.6562 -71.6562 -71.6549 -71.6549 -48.2315 -48.2315 -48.2309 -48.2309 -38.6053 -38.6053 -38.5989 -38.5989 -38.3193 -38.3193 -38.3155 -38.3155 -38.3133 -38.3133 -38.3082 -38.3082 -20.2756 -20.2756 -20.2698 -20.2698 -20.0993 -20.0993 -20.0950 -20.0950 -20.0940 -20.0940 -20.0882 -20.0882 -5.0675 -5.0675 -4.3542 -4.3542 1.2701 1.2701 2.2740 2.2740 2.6759 2.6759 2.9374 2.9374 3.6989 3.6989 4.0641 4.0641 5.5070 5.5070 5.9923 5.9923 6.6720 6.6720 7.3511 7.3511 8.2484 8.2484 k = 0.0000 0.0000 0.2900 ( 10394 PWs) bands (ev): -71.6562 -71.6562 -71.6549 -71.6549 -48.2315 -48.2315 -48.2309 -48.2309 -38.6054 -38.6054 -38.5989 -38.5989 -38.3193 -38.3193 -38.3155 -38.3155 -38.3132 -38.3132 -38.3082 -38.3082 -20.2756 -20.2756 -20.2699 -20.2699 -20.0992 -20.0992 -20.0950 -20.0950 -20.0940 -20.0940 -20.0883 -20.0883 -5.0654 -5.0654 -4.3574 -4.3574 1.2914 1.2914 2.2460 2.2460 2.6775 2.6775 2.9391 2.9391 3.6949 3.6949 4.0604 4.0604 5.5145 5.5145 5.9953 5.9953 6.6846 6.6846 7.3429 7.3429 8.2555 8.2555 k = 0.0000 0.0000 0.3045 ( 10414 PWs) bands (ev): -71.6562 -71.6562 -71.6549 -71.6549 -48.2315 -48.2315 -48.2309 -48.2309 -38.6054 -38.6054 -38.5989 -38.5989 -38.3194 -38.3194 -38.3156 -38.3156 -38.3133 -38.3133 -38.3082 -38.3082 -20.2756 -20.2756 -20.2699 -20.2699 -20.0993 -20.0993 -20.0950 -20.0950 -20.0941 -20.0941 -20.0883 -20.0883 -5.0648 -5.0648 -4.3584 -4.3584 1.2989 1.2989 2.2364 2.2364 2.6780 2.6780 2.9397 2.9397 3.6936 3.6936 4.0591 4.0591 5.5171 5.5171 5.9964 5.9964 6.6887 6.6887 7.3402 7.3402 8.2583 8.2583 k = 0.0000 0.0000 0.3045 ( 10414 PWs) bands (ev): -71.6562 -71.6562 -71.6549 -71.6549 -48.2315 -48.2315 -48.2309 -48.2309 -38.6054 -38.6054 -38.5989 -38.5989 -38.3194 -38.3194 -38.3156 -38.3156 -38.3133 -38.3133 -38.3082 -38.3082 -20.2756 -20.2756 -20.2699 -20.2699 -20.0993 -20.0993 -20.0950 -20.0950 -20.0941 -20.0941 -20.0883 -20.0883 -5.0648 -5.0648 -4.3584 -4.3584 1.2989 1.2989 2.2364 2.2364 2.6780 2.6780 2.9397 2.9397 3.6936 3.6936 4.0591 4.0591 5.5171 5.5171 5.9964 5.9964 6.6887 6.6887 7.3402 7.3402 8.2583 8.2583 k = 0.0000 0.0147 0.3045 ( 10410 PWs) bands (ev): -71.6562 -71.6562 -71.6549 -71.6549 -48.2315 -48.2315 -48.2309 -48.2309 -38.6054 -38.6054 -38.5989 -38.5989 -38.3194 -38.3194 -38.3156 -38.3156 -38.3133 -38.3133 -38.3082 -38.3082 -20.2756 -20.2756 -20.2699 -20.2699 -20.0993 -20.0993 -20.0950 -20.0950 -20.0940 -20.0940 -20.0883 -20.0883 -5.0638 -5.0638 -4.3580 -4.3580 1.2984 1.2984 2.2291 2.2291 2.6796 2.6796 2.9391 2.9391 3.6905 3.6905 4.0552 4.0552 5.5224 5.5224 6.0038 6.0038 6.6954 6.6954 7.3461 7.3461 8.2447 8.2447 k = 0.0000 0.0294 0.3045 ( 10392 PWs) bands (ev): -71.6562 -71.6562 -71.6549 -71.6549 -48.2315 -48.2315 -48.2309 -48.2309 -38.6053 -38.6053 -38.5989 -38.5989 -38.3193 -38.3193 -38.3155 -38.3155 -38.3133 -38.3133 -38.3082 -38.3082 -20.2756 -20.2756 -20.2699 -20.2699 -20.0992 -20.0992 -20.0950 -20.0950 -20.0940 -20.0940 -20.0883 -20.0883 -5.0611 -5.0611 -4.3566 -4.3566 1.2969 1.2969 2.2075 2.2075 2.6844 2.6844 2.9376 2.9376 3.6812 3.6812 4.0442 4.0442 5.5377 5.5377 6.0266 6.0266 6.7146 6.7146 7.3641 7.3641 8.2059 8.2059 k = 0.0000 0.0441 0.3045 ( 10384 PWs) bands (ev): -71.6562 -71.6562 -71.6549 -71.6549 -48.2315 -48.2315 -48.2309 -48.2309 -38.6053 -38.6053 -38.5989 -38.5989 -38.3193 -38.3193 -38.3155 -38.3155 -38.3133 -38.3133 -38.3082 -38.3082 -20.2755 -20.2755 -20.2699 -20.2699 -20.0992 -20.0992 -20.0950 -20.0950 -20.0939 -20.0939 -20.0883 -20.0883 -5.0565 -5.0565 -4.3544 -4.3544 1.2942 1.2942 2.1723 2.1723 2.6920 2.6920 2.9356 2.9356 3.6647 3.6647 4.0282 4.0282 5.5608 5.5608 6.0658 6.0658 6.7437 6.7437 7.3956 7.3956 8.1463 8.1463 k = 0.0000 0.0588 0.3045 ( 10382 PWs) bands (ev): -71.6561 -71.6561 -71.6549 -71.6549 -48.2315 -48.2315 -48.2309 -48.2309 -38.6053 -38.6053 -38.5989 -38.5989 -38.3192 -38.3192 -38.3155 -38.3155 -38.3133 -38.3133 -38.3082 -38.3082 -20.2755 -20.2755 -20.2699 -20.2699 -20.0992 -20.0992 -20.0951 -20.0951 -20.0938 -20.0938 -20.0883 -20.0883 -5.0501 -5.0501 -4.3514 -4.3514 1.2903 1.2903 2.1246 2.1246 2.7021 2.7021 2.9341 2.9341 3.6401 3.6401 4.0099 4.0099 5.5890 5.5890 6.1225 6.1225 6.7790 6.7790 7.4421 7.4421 8.0714 8.0714 k = 0.0000 0.0735 0.3045 ( 10382 PWs) bands (ev): -71.6561 -71.6561 -71.6549 -71.6549 -48.2315 -48.2315 -48.2309 -48.2309 -38.6052 -38.6052 -38.5989 -38.5989 -38.3192 -38.3192 -38.3154 -38.3154 -38.3133 -38.3133 -38.3083 -38.3083 -20.2755 -20.2755 -20.2699 -20.2699 -20.0992 -20.0992 -20.0952 -20.0952 -20.0938 -20.0938 -20.0883 -20.0883 -5.0419 -5.0419 -4.3476 -4.3476 1.2850 1.2850 2.0657 2.0657 2.7142 2.7142 2.9336 2.9336 3.6069 3.6069 3.9922 3.9922 5.6196 5.6196 6.1975 6.1975 6.8163 6.8163 7.5053 7.5053 7.9859 7.9859 k = 0.0000 0.0882 0.3045 ( 10374 PWs) bands (ev): -71.6561 -71.6561 -71.6550 -71.6550 -48.2315 -48.2315 -48.2309 -48.2309 -38.6052 -38.6052 -38.5990 -38.5990 -38.3191 -38.3191 -38.3154 -38.3154 -38.3133 -38.3133 -38.3083 -38.3083 -20.2755 -20.2755 -20.2700 -20.2700 -20.0992 -20.0992 -20.0953 -20.0953 -20.0937 -20.0937 -20.0884 -20.0884 -5.0319 -5.0319 -4.3430 -4.3430 1.2780 1.2780 1.9973 1.9973 2.7283 2.7283 2.9348 2.9348 3.5653 3.5653 3.9771 3.9771 5.6509 5.6509 6.2903 6.2903 6.8519 6.8519 7.5854 7.5854 7.8947 7.8947 k = 0.0000 0.1029 0.3045 ( 10374 PWs) bands (ev): -71.6561 -71.6561 -71.6550 -71.6550 -48.2315 -48.2315 -48.2309 -48.2309 -38.6051 -38.6051 -38.5990 -38.5990 -38.3190 -38.3190 -38.3154 -38.3154 -38.3133 -38.3133 -38.3084 -38.3084 -20.2755 -20.2755 -20.2700 -20.2700 -20.0992 -20.0992 -20.0953 -20.0953 -20.0936 -20.0936 -20.0884 -20.0884 -5.0202 -5.0202 -4.3377 -4.3377 1.2690 1.2690 1.9209 1.9209 2.7439 2.7439 2.9378 2.9378 3.5168 3.5168 3.9656 3.9656 5.6819 5.6819 6.3995 6.3995 6.8835 6.8835 7.6749 7.6749 7.8078 7.8078 k = 0.0000 0.1176 0.3045 ( 10368 PWs) bands (ev): -71.6561 -71.6561 -71.6550 -71.6550 -48.2315 -48.2315 -48.2309 -48.2309 -38.6051 -38.6051 -38.5991 -38.5991 -38.3189 -38.3189 -38.3154 -38.3154 -38.3133 -38.3133 -38.3085 -38.3085 -20.2754 -20.2754 -20.2701 -20.2701 -20.0991 -20.0991 -20.0954 -20.0954 -20.0935 -20.0935 -20.0885 -20.0885 -5.0068 -5.0068 -4.3317 -4.3317 1.2578 1.2578 1.8383 1.8383 2.7611 2.7611 2.9427 2.9427 3.4636 3.4636 3.9576 3.9576 5.7125 5.7125 6.5223 6.5223 6.9098 6.9098 7.6748 7.6748 7.8259 7.8259 k = 0.0000 0.1324 0.3045 ( 10366 PWs) bands (ev): -71.6561 -71.6561 -71.6550 -71.6550 -48.2315 -48.2315 -48.2309 -48.2309 -38.6050 -38.6050 -38.5991 -38.5991 -38.3188 -38.3188 -38.3153 -38.3153 -38.3134 -38.3134 -38.3086 -38.3086 -20.2754 -20.2754 -20.2701 -20.2701 -20.0991 -20.0991 -20.0955 -20.0955 -20.0934 -20.0934 -20.0885 -20.0885 -4.9918 -4.9918 -4.3252 -4.3252 1.2438 1.2438 1.7509 1.7509 2.7798 2.7798 2.9493 2.9493 3.4084 3.4084 3.9527 3.9527 5.7429 5.7429 6.6547 6.6547 6.9312 6.9312 7.5861 7.5861 7.9488 7.9488 k = 0.0000 0.1471 0.3045 ( 10362 PWs) bands (ev): -71.6561 -71.6561 -71.6550 -71.6550 -48.2315 -48.2315 -48.2309 -48.2309 -38.6049 -38.6049 -38.5992 -38.5992 -38.3187 -38.3187 -38.3153 -38.3153 -38.3134 -38.3134 -38.3087 -38.3087 -20.2753 -20.2753 -20.2702 -20.2702 -20.0991 -20.0991 -20.0956 -20.0956 -20.0933 -20.0933 -20.0886 -20.0886 -4.9751 -4.9751 -4.3183 -4.3183 1.2268 1.2268 1.6603 1.6603 2.7998 2.7998 2.9570 2.9570 3.3539 3.3539 3.9503 3.9503 5.7735 5.7735 6.7882 6.7882 6.9501 6.9501 7.4968 7.4968 8.0910 8.0910 k = 0.0000 0.1618 0.3045 ( 10362 PWs) bands (ev): -71.6561 -71.6561 -71.6550 -71.6550 -48.2315 -48.2315 -48.2309 -48.2309 -38.6049 -38.6049 -38.5993 -38.5993 -38.3186 -38.3186 -38.3153 -38.3153 -38.3134 -38.3134 -38.3088 -38.3088 -20.2753 -20.2753 -20.2703 -20.2703 -20.0990 -20.0990 -20.0957 -20.0957 -20.0932 -20.0932 -20.0887 -20.0887 -4.9568 -4.9568 -4.3109 -4.3109 1.2063 1.2063 1.5677 1.5677 2.8210 2.8210 2.9651 2.9651 3.3029 3.3029 3.9496 3.9496 5.8045 5.8045 6.8932 6.8932 6.9828 6.9828 7.4255 7.4255 8.2438 8.2438 k = 0.0000 0.1765 0.3045 ( 10350 PWs) bands (ev): -71.6561 -71.6561 -71.6550 -71.6550 -48.2315 -48.2315 -48.2309 -48.2309 -38.6048 -38.6048 -38.5993 -38.5993 -38.3184 -38.3184 -38.3152 -38.3152 -38.3134 -38.3134 -38.3090 -38.3090 -20.2752 -20.2752 -20.2703 -20.2703 -20.0990 -20.0990 -20.0958 -20.0958 -20.0932 -20.0932 -20.0887 -20.0887 -4.9371 -4.9371 -4.3033 -4.3033 1.1821 1.1821 1.4744 1.4744 2.8434 2.8434 2.9723 2.9723 3.2583 3.2583 3.9502 3.9502 5.8361 5.8361 6.9236 6.9236 7.0386 7.0386 7.4091 7.4091 8.4018 8.4018 k = 0.0000 0.1912 0.3045 ( 10354 PWs) bands (ev): -71.6560 -71.6560 -71.6550 -71.6550 -48.2314 -48.2314 -48.2309 -48.2309 -38.6047 -38.6047 -38.5994 -38.5994 -38.3183 -38.3183 -38.3152 -38.3152 -38.3134 -38.3134 -38.3091 -38.3091 -20.2752 -20.2752 -20.2704 -20.2704 -20.0990 -20.0990 -20.0959 -20.0959 -20.0931 -20.0931 -20.0888 -20.0888 -4.9159 -4.9159 -4.2955 -4.2955 1.1536 1.1536 1.3815 1.3815 2.8668 2.8668 2.9768 2.9768 3.2229 3.2229 3.9515 3.9515 5.8683 5.8683 6.9188 6.9188 7.0341 7.0341 7.4909 7.4909 8.3397 8.3397 k = 0.0000 0.2059 0.3045 ( 10352 PWs) bands (ev): -71.6560 -71.6560 -71.6551 -71.6551 -48.2314 -48.2314 -48.2309 -48.2309 -38.6046 -38.6046 -38.5995 -38.5995 -38.3182 -38.3182 -38.3152 -38.3152 -38.3135 -38.3135 -38.3093 -38.3093 -20.2751 -20.2751 -20.2705 -20.2705 -20.0990 -20.0990 -20.0960 -20.0960 -20.0930 -20.0930 -20.0889 -20.0889 -4.8934 -4.8934 -4.2877 -4.2877 1.1204 1.1204 1.2902 1.2902 2.8909 2.8909 2.9770 2.9770 3.1997 3.1997 3.9534 3.9534 5.9008 5.9008 6.8943 6.8943 6.9834 6.9834 7.6405 7.6405 8.2561 8.2561 k = 0.0000 0.2206 0.3045 ( 10342 PWs) bands (ev): -71.6560 -71.6560 -71.6551 -71.6551 -48.2314 -48.2314 -48.2309 -48.2309 -38.6045 -38.6045 -38.5995 -38.5995 -38.3180 -38.3180 -38.3152 -38.3152 -38.3135 -38.3135 -38.3094 -38.3094 -20.2751 -20.2751 -20.2706 -20.2706 -20.0989 -20.0989 -20.0961 -20.0961 -20.0929 -20.0929 -20.0890 -20.0890 -4.8697 -4.8697 -4.2801 -4.2801 1.0819 1.0819 1.2020 1.2020 2.9152 2.9152 2.9725 2.9725 3.1898 3.1898 3.9553 3.9553 5.9333 5.9333 6.8438 6.8438 6.9319 6.9319 7.8182 7.8182 8.1811 8.1811 k = 0.0000 0.2353 0.3045 ( 10350 PWs) bands (ev): -71.6560 -71.6560 -71.6551 -71.6551 -48.2314 -48.2314 -48.2309 -48.2309 -38.6044 -38.6044 -38.5996 -38.5996 -38.3179 -38.3179 -38.3152 -38.3152 -38.3135 -38.3135 -38.3096 -38.3096 -20.2750 -20.2750 -20.2707 -20.2707 -20.0989 -20.0989 -20.0962 -20.0962 -20.0928 -20.0928 -20.0891 -20.0891 -4.8447 -4.8447 -4.2727 -4.2727 1.0363 1.0363 1.1194 1.1194 2.9370 2.9370 2.9673 2.9673 3.1922 3.1922 3.9571 3.9571 5.9649 5.9649 6.7733 6.7733 6.8882 6.8882 8.0080 8.0080 8.1169 8.1169 k = 0.0000 0.2500 0.3045 ( 10354 PWs) bands (ev): -71.6560 -71.6560 -71.6551 -71.6551 -48.2314 -48.2314 -48.2310 -48.2310 -38.6043 -38.6043 -38.5998 -38.5998 -38.3177 -38.3177 -38.3152 -38.3152 -38.3135 -38.3135 -38.3098 -38.3098 -20.2750 -20.2750 -20.2709 -20.2709 -20.0989 -20.0989 -20.0963 -20.0963 -20.0927 -20.0927 -20.0892 -20.0892 -4.8187 -4.8187 -4.2657 -4.2657 0.9801 0.9801 1.0467 1.0467 2.9430 2.9430 2.9772 2.9772 3.2041 3.2041 3.9583 3.9583 5.9942 5.9942 6.6990 6.6990 6.8428 6.8428 8.0563 8.0563 8.2112 8.2112 k = 0.0000 0.2647 0.3045 ( 10350 PWs) bands (ev): -71.6560 -71.6560 -71.6551 -71.6551 -48.2314 -48.2314 -48.2310 -48.2310 -38.6042 -38.6042 -38.5998 -38.5998 -38.3175 -38.3175 -38.3151 -38.3151 -38.3136 -38.3136 -38.3099 -38.3099 -20.2749 -20.2749 -20.2710 -20.2710 -20.0988 -20.0988 -20.0964 -20.0964 -20.0926 -20.0926 -20.0893 -20.0893 -4.7917 -4.7917 -4.2593 -4.2593 0.9126 0.9126 0.9856 0.9856 2.9373 2.9373 3.0008 3.0008 3.2225 3.2225 3.9589 3.9589 6.0192 6.0192 6.6300 6.6300 6.7913 6.7913 8.0095 8.0095 8.4120 8.4120 k = 0.0000 0.2794 0.3045 ( 10346 PWs) bands (ev): -71.6559 -71.6559 -71.6552 -71.6552 -48.2314 -48.2314 -48.2310 -48.2310 -38.6041 -38.6041 -38.6000 -38.6000 -38.3173 -38.3173 -38.3151 -38.3151 -38.3136 -38.3136 -38.3101 -38.3101 -20.2748 -20.2748 -20.2711 -20.2711 -20.0988 -20.0988 -20.0965 -20.0965 -20.0926 -20.0926 -20.0894 -20.0894 -4.7639 -4.7639 -4.2536 -4.2536 0.8404 0.8404 0.9306 0.9306 2.9326 2.9326 3.0267 3.0267 3.2455 3.2455 3.9586 3.9586 6.0364 6.0364 6.5725 6.5725 6.7332 6.7332 7.9693 7.9693 8.3534 8.3534 k = 0.0000 0.2941 0.3045 ( 10350 PWs) bands (ev): -71.6559 -71.6559 -71.6552 -71.6552 -48.2314 -48.2314 -48.2310 -48.2310 -38.6040 -38.6040 -38.6001 -38.6001 -38.3171 -38.3171 -38.3150 -38.3150 -38.3137 -38.3137 -38.3104 -38.3104 -20.2747 -20.2747 -20.2712 -20.2712 -20.0987 -20.0987 -20.0966 -20.0966 -20.0925 -20.0925 -20.0896 -20.0896 -4.7354 -4.7354 -4.2488 -4.2488 0.7691 0.7691 0.8771 0.8771 2.9314 2.9314 3.0527 3.0527 3.2717 3.2717 3.9571 3.9571 6.0418 6.0418 6.5319 6.5319 6.6695 6.6695 7.9344 7.9344 8.2796 8.2796 k = 0.0000 0.3088 0.3045 ( 10352 PWs) bands (ev): -71.6559 -71.6559 -71.6552 -71.6552 -48.2314 -48.2314 -48.2310 -48.2310 -38.6038 -38.6038 -38.6003 -38.6003 -38.3169 -38.3169 -38.3149 -38.3149 -38.3137 -38.3137 -38.3106 -38.3106 -20.2746 -20.2746 -20.2714 -20.2714 -20.0986 -20.0986 -20.0967 -20.0967 -20.0924 -20.0924 -20.0897 -20.0897 -4.7063 -4.7063 -4.2451 -4.2451 0.7009 0.7009 0.8238 0.8238 2.9344 2.9344 3.0783 3.0783 3.3004 3.3004 3.9543 3.9543 6.0322 6.0322 6.5114 6.5114 6.6023 6.6023 7.9027 7.9027 8.2121 8.2121 k = 0.0000 0.3235 0.3045 ( 10340 PWs) bands (ev): -71.6559 -71.6559 -71.6552 -71.6552 -48.2313 -48.2313 -48.2310 -48.2310 -38.6037 -38.6037 -38.6004 -38.6004 -38.3166 -38.3166 -38.3149 -38.3149 -38.3138 -38.3138 -38.3108 -38.3108 -20.2745 -20.2745 -20.2715 -20.2715 -20.0986 -20.0986 -20.0968 -20.0968 -20.0923 -20.0923 -20.0898 -20.0898 -4.6767 -4.6767 -4.2427 -4.2427 0.6371 0.6371 0.7706 0.7706 2.9415 2.9415 3.1028 3.1028 3.3308 3.3308 3.9499 3.9499 6.0080 6.0080 6.5013 6.5013 6.5433 6.5433 7.8717 7.8717 8.1510 8.1510 k = 0.0000 0.3382 0.3045 ( 10340 PWs) bands (ev): -71.6558 -71.6558 -71.6552 -71.6552 -48.2313 -48.2313 -48.2310 -48.2310 -38.6036 -38.6036 -38.6005 -38.6005 -38.3164 -38.3164 -38.3148 -38.3148 -38.3138 -38.3138 -38.3110 -38.3110 -20.2744 -20.2744 -20.2716 -20.2716 -20.0985 -20.0985 -20.0969 -20.0969 -20.0922 -20.0922 -20.0899 -20.0899 -4.6469 -4.6469 -4.2416 -4.2416 0.5781 0.5781 0.7180 0.7180 2.9524 2.9524 3.1259 3.1259 3.3627 3.3627 3.9437 3.9437 5.9733 5.9733 6.4459 6.4459 6.5459 6.5459 7.8393 7.8393 8.0965 8.0965 k = 0.0000 0.3529 0.3045 ( 10344 PWs) bands (ev): -71.6558 -71.6558 -71.6553 -71.6553 -48.2313 -48.2313 -48.2310 -48.2310 -38.6034 -38.6034 -38.6006 -38.6006 -38.3162 -38.3162 -38.3148 -38.3148 -38.3139 -38.3139 -38.3113 -38.3113 -20.2743 -20.2743 -20.2718 -20.2718 -20.0985 -20.0985 -20.0970 -20.0970 -20.0921 -20.0921 -20.0900 -20.0900 -4.6170 -4.6170 -4.2420 -4.2420 0.5246 0.5246 0.6664 0.6664 2.9668 2.9668 3.1470 3.1470 3.3957 3.3957 3.9357 3.9357 5.9335 5.9335 6.3733 6.3733 6.5787 6.5787 7.8036 7.8036 8.0488 8.0488 k = 0.0000 0.3676 0.3045 ( 10346 PWs) bands (ev): -71.6558 -71.6558 -71.6553 -71.6553 -48.2313 -48.2313 -48.2310 -48.2310 -38.6033 -38.6033 -38.6008 -38.6008 -38.3160 -38.3160 -38.3148 -38.3148 -38.3139 -38.3139 -38.3115 -38.3115 -20.2742 -20.2742 -20.2719 -20.2719 -20.0984 -20.0984 -20.0971 -20.0971 -20.0920 -20.0920 -20.0901 -20.0901 -4.5871 -4.5871 -4.2442 -4.2442 0.4767 0.4767 0.6164 0.6164 2.9841 2.9841 3.1656 3.1656 3.4296 3.4296 3.9257 3.9257 5.8931 5.8931 6.2997 6.2997 6.6226 6.6226 7.7631 7.7631 8.0079 8.0079 k = 0.0000 0.3824 0.3045 ( 10338 PWs) bands (ev): -71.6558 -71.6558 -71.6553 -71.6553 -48.2313 -48.2313 -48.2310 -48.2310 -38.6032 -38.6032 -38.6009 -38.6009 -38.3157 -38.3157 -38.3147 -38.3147 -38.3140 -38.3140 -38.3117 -38.3117 -20.2741 -20.2741 -20.2721 -20.2721 -20.0983 -20.0983 -20.0972 -20.0972 -20.0919 -20.0919 -20.0903 -20.0903 -4.5574 -4.5574 -4.2481 -4.2481 0.4348 0.4348 0.5686 0.5686 3.0038 3.0038 3.1814 3.1814 3.4642 3.4642 3.9136 3.9136 5.8554 5.8554 6.2274 6.2274 6.6739 6.6739 7.7172 7.7172 7.9740 7.9740 k = 0.0000 0.3971 0.3045 ( 10338 PWs) bands (ev): -71.6557 -71.6557 -71.6553 -71.6553 -48.2313 -48.2313 -48.2311 -48.2311 -38.6030 -38.6030 -38.6010 -38.6010 -38.3155 -38.3155 -38.3147 -38.3147 -38.3140 -38.3140 -38.3119 -38.3119 -20.2740 -20.2740 -20.2722 -20.2722 -20.0983 -20.0983 -20.0972 -20.0972 -20.0918 -20.0918 -20.0904 -20.0904 -4.5282 -4.5282 -4.2539 -4.2539 0.3989 0.3989 0.5235 0.5235 3.0253 3.0253 3.1940 3.1940 3.4991 3.4991 3.8991 3.8991 5.8226 5.8226 6.1574 6.1574 6.7304 6.7304 7.6657 7.6657 7.9471 7.9471 k = 0.0000 0.4118 0.3045 ( 10322 PWs) bands (ev): -71.6557 -71.6557 -71.6554 -71.6554 -48.2313 -48.2313 -48.2311 -48.2311 -38.6029 -38.6029 -38.6011 -38.6011 -38.3152 -38.3152 -38.3146 -38.3146 -38.3140 -38.3140 -38.3122 -38.3122 -20.2738 -20.2738 -20.2723 -20.2723 -20.0982 -20.0982 -20.0973 -20.0973 -20.0917 -20.0917 -20.0905 -20.0905 -4.4996 -4.4996 -4.2616 -4.2616 0.3693 0.3693 0.4817 0.4817 3.0479 3.0479 3.2029 3.2029 3.5343 3.5343 3.8825 3.8825 5.7960 5.7960 6.0909 6.0909 6.7910 6.7910 7.6090 7.6090 7.9270 7.9270 k = 0.0000 0.4265 0.3045 ( 10312 PWs) bands (ev): -71.6557 -71.6557 -71.6554 -71.6554 -48.2312 -48.2312 -48.2311 -48.2311 -38.6027 -38.6027 -38.6012 -38.6012 -38.3150 -38.3150 -38.3145 -38.3145 -38.3141 -38.3141 -38.3124 -38.3124 -20.2737 -20.2737 -20.2724 -20.2724 -20.0981 -20.0981 -20.0974 -20.0974 -20.0916 -20.0916 -20.0905 -20.0905 -4.4717 -4.4717 -4.2714 -4.2714 0.3459 0.3459 0.4436 0.4436 3.0711 3.0711 3.2079 3.2079 3.5694 3.5694 3.8634 3.8634 5.7768 5.7768 6.0286 6.0286 6.8547 6.8547 7.5477 7.5477 7.9139 7.9139 k = 0.0000 0.4412 0.3045 ( 10322 PWs) bands (ev): -71.6557 -71.6557 -71.6554 -71.6554 -48.2312 -48.2312 -48.2311 -48.2311 -38.6026 -38.6026 -38.6014 -38.6014 -38.3148 -38.3148 -38.3145 -38.3145 -38.3141 -38.3141 -38.3127 -38.3127 -20.2736 -20.2736 -20.2726 -20.2726 -20.0981 -20.0981 -20.0975 -20.0975 -20.0915 -20.0915 -20.0907 -20.0907 -4.4448 -4.4448 -4.2832 -4.2832 0.3289 0.3289 0.4097 0.4097 3.0943 3.0943 3.2089 3.2089 3.6042 3.6042 3.8421 3.8421 5.7656 5.7656 5.9713 5.9713 6.9210 6.9210 7.4826 7.4826 7.9076 7.9076 k = 0.0000 0.4559 0.3045 ( 10316 PWs) bands (ev): -71.6556 -71.6556 -71.6555 -71.6555 -48.2312 -48.2312 -48.2311 -48.2311 -38.6024 -38.6024 -38.6015 -38.6015 -38.3145 -38.3145 -38.3144 -38.3144 -38.3141 -38.3141 -38.3129 -38.3129 -20.2735 -20.2735 -20.2727 -20.2727 -20.0980 -20.0980 -20.0976 -20.0976 -20.0914 -20.0914 -20.0908 -20.0908 -4.4190 -4.4190 -4.2970 -4.2970 0.3183 0.3183 0.3803 0.3803 3.1168 3.1168 3.2058 3.2058 3.6385 3.6385 3.8185 3.8185 5.7628 5.7628 5.9197 5.9197 6.9894 6.9894 7.4147 7.4147 7.9078 7.9078 k = 0.0000 0.4706 0.3045 ( 10316 PWs) bands (ev): -71.6556 -71.6556 -71.6555 -71.6555 -48.2312 -48.2312 -48.2311 -48.2311 -38.6023 -38.6023 -38.6017 -38.6017 -38.3144 -38.3144 -38.3143 -38.3143 -38.3141 -38.3141 -38.3132 -38.3132 -20.2733 -20.2733 -20.2729 -20.2729 -20.0979 -20.0979 -20.0976 -20.0976 -20.0913 -20.0913 -20.0909 -20.0909 -4.3946 -4.3946 -4.3128 -4.3128 0.3139 0.3139 0.3560 0.3560 3.1380 3.1380 3.1989 3.1989 3.6720 3.6720 3.7928 3.7928 5.7686 5.7686 5.8745 5.8745 7.0593 7.0593 7.3447 7.3447 7.9146 7.9146 k = 0.0000 0.4853 0.3045 ( 10328 PWs) bands (ev): -71.6556 -71.6556 -71.6555 -71.6555 -48.2312 -48.2312 -48.2311 -48.2311 -38.6022 -38.6022 -38.6018 -38.6018 -38.3144 -38.3144 -38.3143 -38.3143 -38.3140 -38.3140 -38.3134 -38.3134 -20.2732 -20.2732 -20.2730 -20.2730 -20.0979 -20.0979 -20.0977 -20.0977 -20.0912 -20.0912 -20.0910 -20.0910 -4.3716 -4.3716 -4.3306 -4.3306 0.3156 0.3156 0.3369 0.3369 3.1573 3.1573 3.1882 3.1882 3.7045 3.7045 3.7651 3.7651 5.7829 5.7829 5.8363 5.8363 7.1303 7.1303 7.2736 7.2736 7.9275 7.9275 k = 0.0000 0.5000 0.3045 ( 10336 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2312 -48.2312 -48.2312 -48.2312 -38.6020 -38.6020 -38.6020 -38.6020 -38.3143 -38.3143 -38.3143 -38.3143 -38.3137 -38.3137 -38.3137 -38.3137 -20.2731 -20.2731 -20.2731 -20.2731 -20.0978 -20.0978 -20.0978 -20.0978 -20.0911 -20.0911 -20.0911 -20.0911 -4.3502 -4.3502 -4.3502 -4.3502 0.3233 0.3233 0.3233 0.3233 3.1742 3.1742 3.1742 3.1742 3.7356 3.7356 3.7356 3.7356 5.8056 5.8056 5.8056 5.8056 7.2019 7.2019 7.2019 7.2019 7.9465 7.9465 k = 0.0000 0.5000 0.3045 ( 10336 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2312 -48.2312 -48.2312 -48.2312 -38.6020 -38.6020 -38.6020 -38.6020 -38.3143 -38.3143 -38.3143 -38.3143 -38.3137 -38.3137 -38.3137 -38.3137 -20.2731 -20.2731 -20.2731 -20.2731 -20.0978 -20.0978 -20.0978 -20.0978 -20.0911 -20.0911 -20.0911 -20.0911 -4.3502 -4.3502 -4.3502 -4.3502 0.3233 0.3233 0.3233 0.3233 3.1742 3.1742 3.1742 3.1742 3.7356 3.7356 3.7356 3.7356 5.8056 5.8056 5.8056 5.8056 7.2019 7.2019 7.2019 7.2019 7.9465 7.9465 k = 0.0147 0.5000 0.3045 ( 10332 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2312 -48.2312 -48.2312 -48.2312 -38.6020 -38.6020 -38.6020 -38.6020 -38.3144 -38.3144 -38.3143 -38.3143 -38.3137 -38.3137 -38.3136 -38.3136 -20.2731 -20.2731 -20.2731 -20.2731 -20.0979 -20.0979 -20.0977 -20.0977 -20.0912 -20.0912 -20.0910 -20.0910 -4.3496 -4.3496 -4.3495 -4.3495 0.3236 0.3236 0.3251 0.3251 3.1647 3.1647 3.1804 3.1804 3.7205 3.7205 3.7326 3.7326 5.8106 5.8106 5.8157 5.8157 7.2059 7.2059 7.2077 7.2077 7.9329 7.9329 k = 0.0294 0.5000 0.3045 ( 10328 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2312 -48.2312 -48.2312 -48.2312 -38.6020 -38.6020 -38.6020 -38.6020 -38.3145 -38.3145 -38.3144 -38.3144 -38.3136 -38.3136 -38.3135 -38.3135 -20.2731 -20.2731 -20.2731 -20.2731 -20.0980 -20.0980 -20.0976 -20.0976 -20.0913 -20.0913 -20.0910 -20.0910 -4.3478 -4.3478 -4.3475 -4.3475 0.3260 0.3260 0.3288 0.3288 3.1511 3.1511 3.1835 3.1835 3.6874 3.6874 3.7130 3.7130 5.8301 5.8301 5.8402 5.8402 7.2189 7.2189 7.2230 7.2230 7.8989 7.8989 k = 0.0441 0.5000 0.3045 ( 10324 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2312 -48.2312 -48.2312 -48.2312 -38.6020 -38.6020 -38.6020 -38.6020 -38.3147 -38.3147 -38.3146 -38.3146 -38.3134 -38.3134 -38.3133 -38.3133 -20.2731 -20.2731 -20.2731 -20.2731 -20.0981 -20.0981 -20.0975 -20.0975 -20.0914 -20.0914 -20.0909 -20.0909 -4.3446 -4.3446 -4.3443 -4.3443 0.3303 0.3303 0.3346 0.3346 3.1324 3.1324 3.1839 3.1839 3.6379 3.6379 3.6795 3.6795 5.8623 5.8623 5.8768 5.8768 7.2384 7.2384 7.2457 7.2457 7.8525 7.8525 k = 0.0588 0.5000 0.3045 ( 10320 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2312 -48.2312 -48.2312 -48.2312 -38.6020 -38.6020 -38.6020 -38.6020 -38.3149 -38.3149 -38.3147 -38.3147 -38.3133 -38.3133 -38.3132 -38.3132 -20.2731 -20.2731 -20.2731 -20.2731 -20.0981 -20.0981 -20.0974 -20.0974 -20.0915 -20.0915 -20.0908 -20.0908 -4.3402 -4.3402 -4.3397 -4.3397 0.3366 0.3366 0.3424 0.3424 3.1074 3.1074 3.1814 3.1814 3.5745 3.5745 3.6360 3.6360 5.9044 5.9044 5.9226 5.9226 7.2589 7.2589 7.2711 7.2711 7.8057 7.8057 k = 0.0735 0.5000 0.3045 ( 10336 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2312 -48.2312 -48.2312 -48.2312 -38.6020 -38.6020 -38.6020 -38.6020 -38.3151 -38.3151 -38.3149 -38.3149 -38.3131 -38.3131 -38.3130 -38.3130 -20.2732 -20.2732 -20.2731 -20.2731 -20.0982 -20.0982 -20.0974 -20.0974 -20.0916 -20.0916 -20.0908 -20.0908 -4.3345 -4.3345 -4.3340 -4.3340 0.3448 0.3448 0.3521 0.3521 3.0746 3.0746 3.1756 3.1756 3.5003 3.5003 3.5867 3.5867 5.9531 5.9531 5.9745 5.9745 7.2702 7.2702 7.2898 7.2898 7.7743 7.7743 k = 0.0882 0.5000 0.3045 ( 10336 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2312 -48.2312 -48.2312 -48.2312 -38.6020 -38.6020 -38.6020 -38.6020 -38.3152 -38.3152 -38.3151 -38.3151 -38.3130 -38.3130 -38.3129 -38.3129 -20.2732 -20.2732 -20.2732 -20.2732 -20.0983 -20.0983 -20.0973 -20.0973 -20.0917 -20.0917 -20.0907 -20.0907 -4.3277 -4.3277 -4.3270 -4.3270 0.3549 0.3549 0.3638 0.3638 3.0325 3.0325 3.1656 3.1656 3.4192 3.4192 3.5359 3.5359 6.0056 6.0056 6.0295 6.0295 7.2595 7.2595 7.2881 7.2881 7.7698 7.7700 k = 0.1029 0.5000 0.3045 ( 10348 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2312 -48.2312 -48.2312 -48.2312 -38.6021 -38.6021 -38.6021 -38.6021 -38.3154 -38.3154 -38.3153 -38.3153 -38.3128 -38.3128 -38.3127 -38.3127 -20.2732 -20.2732 -20.2732 -20.2732 -20.0984 -20.0984 -20.0972 -20.0972 -20.0918 -20.0918 -20.0907 -20.0907 -4.3197 -4.3197 -4.3189 -4.3189 0.3667 0.3667 0.3774 0.3774 2.9800 2.9800 3.1482 3.1482 3.3365 3.3365 3.4869 3.4869 6.0594 6.0594 6.0851 6.0851 7.2213 7.2213 7.2576 7.2576 7.8066 7.8066 k = 0.1176 0.5000 0.3045 ( 10348 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2312 -48.2312 -48.2312 -48.2312 -38.6021 -38.6021 -38.6021 -38.6021 -38.3156 -38.3156 -38.3154 -38.3154 -38.3127 -38.3127 -38.3126 -38.3126 -20.2732 -20.2732 -20.2732 -20.2732 -20.0985 -20.0985 -20.0972 -20.0972 -20.0919 -20.0919 -20.0906 -20.0906 -4.3105 -4.3105 -4.3097 -4.3097 0.3803 0.3803 0.3928 0.3928 2.9171 2.9171 3.1156 3.1156 3.2622 3.2622 3.4418 3.4418 6.1124 6.1124 6.1395 6.1395 7.1622 7.1622 7.2039 7.2039 7.8826 7.8826 k = 0.1324 0.5000 0.3045 ( 10352 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2312 -48.2312 -48.2312 -48.2312 -38.6021 -38.6021 -38.6021 -38.6021 -38.3157 -38.3157 -38.3156 -38.3156 -38.3125 -38.3125 -38.3124 -38.3124 -20.2732 -20.2732 -20.2732 -20.2732 -20.0985 -20.0985 -20.0971 -20.0971 -20.0920 -20.0920 -20.0906 -20.0906 -4.3003 -4.3003 -4.2994 -4.2994 0.3954 0.3954 0.4098 0.4098 2.8447 2.8447 3.0563 3.0563 3.2097 3.2097 3.4013 3.4013 6.1630 6.1630 6.1911 6.1911 7.0925 7.0925 7.1379 7.1379 7.9881 7.9881 k = 0.1471 0.5000 0.3045 ( 10348 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2312 -48.2312 -48.2312 -48.2312 -38.6021 -38.6021 -38.6021 -38.6021 -38.3159 -38.3159 -38.3158 -38.3158 -38.3124 -38.3124 -38.3122 -38.3122 -20.2732 -20.2732 -20.2732 -20.2732 -20.0986 -20.0986 -20.0970 -20.0970 -20.0921 -20.0921 -20.0906 -20.0906 -4.2891 -4.2891 -4.2881 -4.2881 0.4120 0.4120 0.4285 0.4285 2.7649 2.7649 2.9735 2.9735 3.1769 3.1769 3.3647 3.3647 6.2101 6.2101 6.2386 6.2386 7.0205 7.0205 7.0687 7.0687 8.1154 8.1154 k = 0.1618 0.5000 0.3045 ( 10340 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2312 -48.2312 -48.2312 -48.2312 -38.6021 -38.6021 -38.6021 -38.6021 -38.3160 -38.3160 -38.3159 -38.3159 -38.3122 -38.3122 -38.3121 -38.3121 -20.2732 -20.2732 -20.2732 -20.2732 -20.0986 -20.0986 -20.0970 -20.0970 -20.0922 -20.0922 -20.0905 -20.0905 -4.2770 -4.2770 -4.2759 -4.2759 0.4299 0.4299 0.4487 0.4487 2.6798 2.6798 2.8804 2.8804 3.1520 3.1520 3.3308 3.3308 6.2523 6.2523 6.2805 6.2805 6.9518 6.9518 7.0021 7.0021 8.2596 8.2596 k = 0.1765 0.5000 0.3045 ( 10320 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2312 -48.2312 -48.2312 -48.2312 -38.6021 -38.6021 -38.6020 -38.6020 -38.3162 -38.3162 -38.3160 -38.3160 -38.3120 -38.3120 -38.3119 -38.3119 -20.2732 -20.2732 -20.2732 -20.2732 -20.0987 -20.0987 -20.0969 -20.0969 -20.0923 -20.0923 -20.0905 -20.0905 -4.2640 -4.2640 -4.2628 -4.2628 0.4490 0.4490 0.4702 0.4702 2.5916 2.5916 2.7844 2.7844 3.1286 3.1286 3.2985 3.2985 6.2880 6.2880 6.3149 6.3149 6.8915 6.8915 6.9427 6.9427 8.4174 8.4174 k = 0.1912 0.5000 0.3045 ( 10324 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2312 -48.2312 -48.2312 -48.2312 -38.6021 -38.6021 -38.6020 -38.6020 -38.3163 -38.3163 -38.3162 -38.3162 -38.3118 -38.3118 -38.3117 -38.3117 -20.2732 -20.2732 -20.2732 -20.2732 -20.0987 -20.0987 -20.0968 -20.0968 -20.0924 -20.0924 -20.0905 -20.0905 -4.2503 -4.2503 -4.2490 -4.2490 0.4690 0.4690 0.4928 0.4928 2.5023 2.5023 2.6886 2.6886 3.1042 3.1042 3.2666 3.2666 6.3152 6.3152 6.3390 6.3390 6.8444 6.8444 6.8945 6.8945 8.5862 8.5862 k = 0.2059 0.5000 0.3045 ( 10324 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2312 -48.2312 -48.2312 -48.2312 -38.6021 -38.6021 -38.6020 -38.6020 -38.3165 -38.3165 -38.3163 -38.3163 -38.3117 -38.3117 -38.3116 -38.3116 -20.2733 -20.2733 -20.2732 -20.2732 -20.0987 -20.0987 -20.0968 -20.0968 -20.0924 -20.0924 -20.0905 -20.0905 -4.2358 -4.2358 -4.2346 -4.2346 0.4897 0.4897 0.5162 0.5162 2.4134 2.4134 2.5950 2.5950 3.0779 3.0779 3.2342 3.2342 6.3317 6.3317 6.3496 6.3496 6.8150 6.8150 6.8612 6.8612 8.7636 8.7636 k = 0.2206 0.5000 0.3045 ( 10316 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2312 -48.2312 -48.2312 -48.2312 -38.6021 -38.6021 -38.6020 -38.6020 -38.3166 -38.3166 -38.3165 -38.3165 -38.3115 -38.3115 -38.3114 -38.3114 -20.2733 -20.2733 -20.2733 -20.2733 -20.0988 -20.0988 -20.0968 -20.0968 -20.0925 -20.0925 -20.0905 -20.0905 -4.2208 -4.2208 -4.2195 -4.2195 0.5108 0.5108 0.5403 0.5403 2.3264 2.3264 2.5047 2.5047 3.0490 3.0490 3.2005 3.2005 6.3361 6.3361 6.3454 6.3454 6.8061 6.8061 6.8456 6.8456 8.9449 8.9449 k = 0.2353 0.5000 0.3045 ( 10324 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2312 -48.2312 -48.2312 -48.2312 -38.6021 -38.6021 -38.6021 -38.6021 -38.3167 -38.3167 -38.3166 -38.3166 -38.3114 -38.3114 -38.3113 -38.3113 -20.2733 -20.2733 -20.2733 -20.2733 -20.0988 -20.0988 -20.0968 -20.0968 -20.0925 -20.0925 -20.0905 -20.0905 -4.2054 -4.2054 -4.2041 -4.2041 0.5320 0.5320 0.5646 0.5646 2.2425 2.2425 2.4188 2.4188 3.0173 3.0173 3.1650 3.1650 6.3284 6.3284 6.3288 6.3288 6.8164 6.8164 6.8477 6.8477 9.0676 9.0676 k = 0.2500 0.5000 0.3045 ( 10320 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2312 -48.2312 -48.2312 -48.2312 -38.6021 -38.6021 -38.6021 -38.6021 -38.3169 -38.3169 -38.3168 -38.3168 -38.3112 -38.3112 -38.3112 -38.3112 -20.2733 -20.2733 -20.2733 -20.2733 -20.0988 -20.0988 -20.0968 -20.0968 -20.0925 -20.0925 -20.0905 -20.0905 -4.1896 -4.1896 -4.1882 -4.1882 0.5530 0.5530 0.5888 0.5888 2.1628 2.1628 2.3382 2.3382 2.9826 2.9826 3.1273 3.1273 6.3032 6.3032 6.3126 6.3126 6.8421 6.8421 6.8656 6.8656 8.9791 8.9791 k = 0.2647 0.5000 0.3045 ( 10316 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2311 -48.2311 -48.2311 -48.2311 -38.6021 -38.6021 -38.6021 -38.6021 -38.3170 -38.3170 -38.3169 -38.3169 -38.3111 -38.3111 -38.3111 -38.3111 -20.2733 -20.2733 -20.2733 -20.2733 -20.0988 -20.0988 -20.0968 -20.0968 -20.0926 -20.0926 -20.0905 -20.0905 -4.1736 -4.1736 -4.1722 -4.1722 0.5733 0.5733 0.6123 0.6123 2.0883 2.0883 2.2635 2.2635 2.9448 2.9448 3.0872 3.0872 6.2745 6.2745 6.2914 6.2914 6.8787 6.8787 6.8957 6.8957 8.8683 8.8683 k = 0.2794 0.5000 0.3045 ( 10312 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2311 -48.2311 -48.2311 -48.2311 -38.6021 -38.6021 -38.6021 -38.6021 -38.3171 -38.3171 -38.3170 -38.3170 -38.3110 -38.3110 -38.3109 -38.3109 -20.2733 -20.2733 -20.2733 -20.2733 -20.0988 -20.0988 -20.0968 -20.0968 -20.0926 -20.0926 -20.0906 -20.0906 -4.1575 -4.1575 -4.1561 -4.1561 0.5925 0.5925 0.6348 0.6348 2.0200 2.0200 2.1957 2.1957 2.9040 2.9040 3.0445 3.0445 6.2458 6.2458 6.2684 6.2684 6.9231 6.9231 6.9350 6.9350 8.7583 8.7583 k = 0.2941 0.5000 0.3045 ( 10312 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2311 -48.2311 -48.2311 -48.2311 -38.6021 -38.6021 -38.6021 -38.6021 -38.3172 -38.3172 -38.3171 -38.3171 -38.3109 -38.3109 -38.3108 -38.3108 -20.2733 -20.2733 -20.2733 -20.2733 -20.0988 -20.0988 -20.0969 -20.0969 -20.0926 -20.0926 -20.0906 -20.0906 -4.1414 -4.1414 -4.1401 -4.1401 0.6102 0.6102 0.6554 0.6554 1.9589 1.9589 2.1354 2.1354 2.8603 2.8603 2.9993 2.9993 6.2195 6.2195 6.2462 6.2462 6.9731 6.9731 6.9810 6.9810 8.6514 8.6514 k = 0.3088 0.5000 0.3045 ( 10312 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2311 -48.2311 -48.2311 -48.2311 -38.6021 -38.6021 -38.6021 -38.6021 -38.3173 -38.3173 -38.3172 -38.3172 -38.3108 -38.3108 -38.3107 -38.3107 -20.2734 -20.2734 -20.2734 -20.2734 -20.0988 -20.0988 -20.0969 -20.0969 -20.0926 -20.0926 -20.0907 -20.0907 -4.1256 -4.1256 -4.1243 -4.1243 0.6259 0.6259 0.6737 0.6737 1.9059 1.9059 2.0833 2.0833 2.8138 2.8138 2.9515 2.9515 6.1967 6.1967 6.2263 6.2263 7.0272 7.0272 7.0320 7.0320 8.5485 8.5485 k = 0.3235 0.5000 0.3045 ( 10280 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2311 -48.2311 -48.2311 -48.2311 -38.6020 -38.6020 -38.6020 -38.6020 -38.3173 -38.3173 -38.3172 -38.3172 -38.3106 -38.3106 -38.3106 -38.3106 -20.2733 -20.2733 -20.2733 -20.2733 -20.0987 -20.0987 -20.0969 -20.0969 -20.0925 -20.0925 -20.0907 -20.0907 -4.1101 -4.1101 -4.1088 -4.1088 0.6393 0.6393 0.6890 0.6890 1.8619 1.8619 2.0399 2.0399 2.7648 2.7648 2.9014 2.9014 6.1782 6.1782 6.2096 6.2096 7.0846 7.0846 7.0869 7.0869 8.4502 8.4502 k = 0.3382 0.5000 0.3045 ( 10300 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2311 -48.2311 -48.2311 -48.2311 -38.6021 -38.6021 -38.6021 -38.6021 -38.3174 -38.3174 -38.3173 -38.3173 -38.3106 -38.3106 -38.3105 -38.3105 -20.2734 -20.2734 -20.2734 -20.2734 -20.0987 -20.0987 -20.0970 -20.0970 -20.0925 -20.0925 -20.0908 -20.0908 -4.0951 -4.0951 -4.0939 -4.0939 0.6501 0.6501 0.7007 0.7007 1.8276 1.8276 2.0056 2.0056 2.7135 2.7135 2.8492 2.8492 6.1641 6.1641 6.1963 6.1963 7.1447 7.1447 7.1447 7.1447 8.3571 8.3571 k = 0.3529 0.5000 0.3045 ( 10296 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2311 -48.2311 -48.2311 -48.2311 -38.6021 -38.6021 -38.6021 -38.6021 -38.3175 -38.3175 -38.3174 -38.3174 -38.3105 -38.3105 -38.3104 -38.3104 -20.2734 -20.2734 -20.2734 -20.2734 -20.0987 -20.0987 -20.0971 -20.0971 -20.0924 -20.0924 -20.0908 -20.0908 -4.0808 -4.0808 -4.0796 -4.0796 0.6581 0.6581 0.7086 0.7086 1.8035 1.8035 1.9806 1.9806 2.6604 2.6604 2.7951 2.7951 6.1543 6.1543 6.1866 6.1866 7.2048 7.2048 7.2067 7.2067 8.2699 8.2699 k = 0.3676 0.5000 0.3045 ( 10292 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2311 -48.2311 -48.2311 -48.2311 -38.6021 -38.6021 -38.6021 -38.6021 -38.3176 -38.3176 -38.3175 -38.3175 -38.3104 -38.3104 -38.3104 -38.3104 -20.2734 -20.2734 -20.2734 -20.2734 -20.0987 -20.0987 -20.0972 -20.0972 -20.0924 -20.0924 -20.0909 -20.0909 -4.0672 -4.0672 -4.0661 -4.0661 0.6635 0.6635 0.7126 0.7126 1.7898 1.7898 1.9648 1.9648 2.6059 2.6059 2.7396 2.7396 6.1485 6.1485 6.1802 6.1802 7.2665 7.2665 7.2703 7.2703 8.1893 8.1893 k = 0.3824 0.5000 0.3045 ( 10284 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2311 -48.2311 -48.2311 -48.2311 -38.6021 -38.6021 -38.6020 -38.6020 -38.3176 -38.3176 -38.3175 -38.3175 -38.3103 -38.3103 -38.3103 -38.3103 -20.2734 -20.2734 -20.2734 -20.2734 -20.0986 -20.0986 -20.0973 -20.0973 -20.0923 -20.0923 -20.0909 -20.0909 -4.0546 -4.0546 -4.0536 -4.0536 0.6664 0.6664 0.7128 0.7128 1.7861 1.7861 1.9579 1.9579 2.5504 2.5504 2.6831 2.6831 6.1464 6.1464 6.1767 6.1767 7.3289 7.3289 7.3345 7.3345 8.1163 8.1163 k = 0.3971 0.5000 0.3045 ( 10276 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2311 -48.2311 -48.2311 -48.2311 -38.6021 -38.6021 -38.6020 -38.6020 -38.3177 -38.3177 -38.3176 -38.3176 -38.3102 -38.3102 -38.3102 -38.3102 -20.2734 -20.2734 -20.2734 -20.2734 -20.0986 -20.0986 -20.0974 -20.0974 -20.0922 -20.0922 -20.0910 -20.0910 -4.0431 -4.0431 -4.0422 -4.0422 0.6672 0.6672 0.7099 0.7099 1.7921 1.7921 1.9593 1.9593 2.4948 2.4948 2.6261 2.6261 6.1473 6.1473 6.1756 6.1756 7.3908 7.3908 7.3985 7.3985 8.0519 8.0519 k = 0.4118 0.5000 0.3045 ( 10268 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2311 -48.2311 -48.2311 -48.2311 -38.6020 -38.6020 -38.6020 -38.6020 -38.3177 -38.3177 -38.3176 -38.3176 -38.3102 -38.3102 -38.3101 -38.3101 -20.2734 -20.2734 -20.2734 -20.2734 -20.0985 -20.0985 -20.0975 -20.0975 -20.0921 -20.0921 -20.0911 -20.0911 -4.0328 -4.0328 -4.0320 -4.0320 0.6666 0.6666 0.7045 0.7045 1.8068 1.8068 1.9679 1.9679 2.4398 2.4398 2.5690 2.5690 6.1506 6.1506 6.1763 6.1763 7.4508 7.4508 7.4607 7.4607 7.9976 7.9976 k = 0.4265 0.5000 0.3045 ( 10272 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2311 -48.2311 -48.2311 -48.2311 -38.6021 -38.6021 -38.6020 -38.6020 -38.3177 -38.3177 -38.3177 -38.3177 -38.3101 -38.3101 -38.3101 -38.3101 -20.2734 -20.2734 -20.2734 -20.2734 -20.0984 -20.0984 -20.0976 -20.0976 -20.0920 -20.0920 -20.0911 -20.0911 -4.0238 -4.0238 -4.0232 -4.0232 0.6651 0.6651 0.6975 0.6975 1.8290 1.8290 1.9821 1.9821 2.3866 2.3866 2.5125 2.5125 6.1556 6.1556 6.1781 6.1781 7.5064 7.5064 7.5187 7.5187 7.9553 7.9553 k = 0.4412 0.5000 0.3045 ( 10272 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2311 -48.2311 -48.2311 -48.2311 -38.6021 -38.6021 -38.6020 -38.6020 -38.3178 -38.3178 -38.3178 -38.3178 -38.3101 -38.3101 -38.3100 -38.3100 -20.2734 -20.2734 -20.2734 -20.2734 -20.0984 -20.0984 -20.0977 -20.0977 -20.0919 -20.0919 -20.0912 -20.0912 -4.0163 -4.0163 -4.0158 -4.0158 0.6634 0.6634 0.6898 0.6898 1.8575 1.8575 1.9995 1.9995 2.3375 2.3375 2.4574 2.4574 6.1615 6.1615 6.1803 6.1803 7.5544 7.5544 7.5689 7.5689 7.9236 7.9236 k = 0.4559 0.5000 0.3045 ( 10268 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2311 -48.2311 -48.2311 -48.2311 -38.6020 -38.6020 -38.6020 -38.6020 -38.3178 -38.3178 -38.3178 -38.3178 -38.3100 -38.3100 -38.3100 -38.3100 -20.2734 -20.2734 -20.2734 -20.2734 -20.0983 -20.0983 -20.0978 -20.0978 -20.0918 -20.0918 -20.0913 -20.0913 -4.0104 -4.0104 -4.0100 -4.0100 0.6622 0.6622 0.6822 0.6822 1.8907 1.8907 2.0161 2.0161 2.2961 2.2961 2.4047 2.4047 6.1676 6.1676 6.1822 6.1822 7.5914 7.5914 7.6065 7.6065 7.9067 7.9067 k = 0.4706 0.5000 0.3045 ( 10264 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2311 -48.2311 -48.2311 -48.2311 -38.6020 -38.6020 -38.6020 -38.6020 -38.3178 -38.3178 -38.3178 -38.3178 -38.3100 -38.3100 -38.3100 -38.3100 -20.2734 -20.2734 -20.2734 -20.2734 -20.0982 -20.0982 -20.0979 -20.0979 -20.0917 -20.0917 -20.0914 -20.0914 -4.0061 -4.0061 -4.0058 -4.0058 0.6619 0.6619 0.6753 0.6753 1.9270 1.9270 2.0251 2.0251 2.2688 2.2688 2.3557 2.3557 6.1733 6.1733 6.1833 6.1833 7.6158 7.6158 7.6284 7.6284 7.9061 7.9061 k = 0.4853 0.5000 0.3045 ( 10260 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2311 -48.2311 -48.2311 -48.2311 -38.6020 -38.6020 -38.6020 -38.6020 -38.3178 -38.3178 -38.3178 -38.3178 -38.3100 -38.3100 -38.3100 -38.3100 -20.2734 -20.2734 -20.2734 -20.2734 -20.0981 -20.0981 -20.0979 -20.0979 -20.0916 -20.0916 -20.0915 -20.0915 -4.0034 -4.0034 -4.0033 -4.0033 0.6629 0.6629 0.6696 0.6696 1.9635 1.9635 2.0190 2.0190 2.2629 2.2629 2.3127 2.3127 6.1780 6.1780 6.1831 6.1831 7.6296 7.6296 7.6367 7.6367 7.9144 7.9144 k = 0.5000 0.5000 0.3045 ( 10240 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2311 -48.2311 -48.2311 -48.2311 -38.6020 -38.6020 -38.6020 -38.6020 -38.3178 -38.3178 -38.3178 -38.3178 -38.3100 -38.3100 -38.3100 -38.3100 -20.2734 -20.2734 -20.2734 -20.2734 -20.0980 -20.0980 -20.0980 -20.0980 -20.0915 -20.0915 -20.0915 -20.0915 -4.0025 -4.0025 -4.0025 -4.0025 0.6654 0.6654 0.6654 0.6654 1.9964 1.9964 1.9964 1.9964 2.2797 2.2797 2.2797 2.2797 6.1813 6.1813 6.1813 6.1813 7.6362 7.6362 7.6362 7.6362 7.9208 7.9208 k = 0.5000 0.5000 0.3045 ( 10240 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2311 -48.2311 -48.2311 -48.2311 -38.6020 -38.6020 -38.6020 -38.6020 -38.3178 -38.3178 -38.3178 -38.3178 -38.3100 -38.3100 -38.3100 -38.3100 -20.2734 -20.2734 -20.2734 -20.2734 -20.0980 -20.0980 -20.0980 -20.0980 -20.0915 -20.0915 -20.0915 -20.0915 -4.0025 -4.0025 -4.0025 -4.0025 0.6654 0.6654 0.6654 0.6654 1.9964 1.9964 1.9964 1.9964 2.2797 2.2797 2.2797 2.2797 6.1813 6.1813 6.1813 6.1813 7.6362 7.6362 7.6362 7.6362 7.9208 7.9208 k = 0.4896 0.4896 0.3045 ( 10268 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2311 -48.2311 -48.2311 -48.2311 -38.6021 -38.6021 -38.6020 -38.6020 -38.3178 -38.3178 -38.3178 -38.3178 -38.3100 -38.3100 -38.3100 -38.3100 -20.2734 -20.2734 -20.2734 -20.2734 -20.0981 -20.0981 -20.0980 -20.0980 -20.0916 -20.0916 -20.0915 -20.0915 -4.0039 -4.0039 -4.0028 -4.0028 0.6628 0.6628 0.6696 0.6696 1.9623 1.9623 2.0206 2.0206 2.2616 2.2616 2.3137 2.3137 6.1780 6.1780 6.1831 6.1831 7.6281 7.6281 7.6387 7.6387 7.9106 7.9106 k = 0.4792 0.4792 0.3045 ( 10268 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2311 -48.2311 -48.2311 -48.2311 -38.6020 -38.6020 -38.6020 -38.6020 -38.3178 -38.3178 -38.3178 -38.3178 -38.3100 -38.3100 -38.3100 -38.3100 -20.2734 -20.2734 -20.2734 -20.2734 -20.0982 -20.0982 -20.0979 -20.0979 -20.0917 -20.0917 -20.0914 -20.0914 -4.0083 -4.0083 -4.0036 -4.0036 0.6617 0.6617 0.6758 0.6758 1.9193 1.9193 2.0371 2.0371 2.2584 2.2584 2.3616 2.3616 6.1729 6.1729 6.1834 6.1834 7.6093 7.6093 7.6422 7.6422 7.8856 7.8856 k = 0.4688 0.4687 0.3045 ( 10288 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2311 -48.2311 -48.2311 -48.2311 -38.6021 -38.6021 -38.6021 -38.6021 -38.3178 -38.3178 -38.3178 -38.3178 -38.3101 -38.3101 -38.3101 -38.3101 -20.2735 -20.2735 -20.2734 -20.2734 -20.0983 -20.0983 -20.0978 -20.0978 -20.0919 -20.0919 -20.0913 -20.0913 -4.0154 -4.0154 -4.0051 -4.0051 0.6617 0.6617 0.6840 0.6840 1.8705 1.8705 2.0496 2.0496 2.2672 2.2672 2.4193 2.4193 6.1661 6.1661 6.1824 6.1824 7.5820 7.5820 7.6476 7.6476 7.8523 7.8523 k = 0.4583 0.4583 0.3045 ( 10290 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2311 -48.2311 -48.2311 -48.2311 -38.6021 -38.6021 -38.6020 -38.6020 -38.3178 -38.3178 -38.3177 -38.3177 -38.3101 -38.3101 -38.3101 -38.3101 -20.2735 -20.2735 -20.2734 -20.2734 -20.0984 -20.0984 -20.0977 -20.0977 -20.0919 -20.0919 -20.0912 -20.0912 -4.0254 -4.0254 -4.0071 -4.0071 0.6630 0.6630 0.6945 0.6945 1.8189 1.8189 2.0608 2.0608 2.2851 2.2851 2.4835 2.4835 6.1575 6.1575 6.1802 6.1802 7.5501 7.5501 7.6549 7.6549 7.8174 7.8174 k = 0.4479 0.4479 0.3045 ( 10270 PWs) bands (ev): -71.6556 -71.6556 -71.6555 -71.6555 -48.2311 -48.2311 -48.2311 -48.2311 -38.6021 -38.6021 -38.6020 -38.6020 -38.3178 -38.3178 -38.3176 -38.3176 -38.3102 -38.3102 -38.3101 -38.3101 -20.2735 -20.2735 -20.2733 -20.2733 -20.0984 -20.0984 -20.0976 -20.0976 -20.0920 -20.0920 -20.0911 -20.0911 -4.0380 -4.0380 -4.0097 -4.0097 0.6654 0.6654 0.7073 0.7073 1.7667 1.7667 2.0724 2.0724 2.3104 2.3104 2.5517 2.5517 6.1470 6.1470 6.1771 6.1771 7.5170 7.5170 7.6640 7.6640 7.7856 7.7856 k = 0.4375 0.4375 0.3045 ( 10278 PWs) bands (ev): -71.6556 -71.6556 -71.6555 -71.6555 -48.2311 -48.2311 -48.2311 -48.2311 -38.6021 -38.6021 -38.6020 -38.6020 -38.3178 -38.3178 -38.3176 -38.3176 -38.3103 -38.3103 -38.3101 -38.3101 -20.2735 -20.2735 -20.2732 -20.2732 -20.0985 -20.0985 -20.0975 -20.0975 -20.0921 -20.0921 -20.0911 -20.0911 -4.0533 -4.0533 -4.0129 -4.0129 0.6689 0.6689 0.7227 0.7227 1.7153 1.7153 2.0854 2.0854 2.3415 2.3415 2.6223 2.6223 6.1348 6.1348 6.1735 6.1735 7.4853 7.4853 7.6741 7.6741 7.7603 7.7603 k = 0.4271 0.4271 0.3045 ( 10296 PWs) bands (ev): -71.6556 -71.6556 -71.6555 -71.6555 -48.2311 -48.2311 -48.2311 -48.2311 -38.6022 -38.6022 -38.6019 -38.6019 -38.3178 -38.3178 -38.3175 -38.3175 -38.3104 -38.3104 -38.3101 -38.3101 -20.2736 -20.2736 -20.2732 -20.2732 -20.0986 -20.0986 -20.0974 -20.0974 -20.0922 -20.0922 -20.0910 -20.0910 -4.0710 -4.0710 -4.0167 -4.0167 0.6737 0.6737 0.7405 0.7405 1.6656 1.6656 2.1003 2.1003 2.3775 2.3775 2.6942 2.6942 6.1209 6.1209 6.1698 6.1698 7.4569 7.4569 7.6838 7.6838 7.7446 7.7446 k = 0.4167 0.4167 0.3045 ( 10292 PWs) bands (ev): -71.6556 -71.6556 -71.6555 -71.6555 -48.2311 -48.2311 -48.2311 -48.2311 -38.6023 -38.6023 -38.6019 -38.6019 -38.3178 -38.3178 -38.3174 -38.3174 -38.3105 -38.3105 -38.3101 -38.3101 -20.2736 -20.2736 -20.2732 -20.2732 -20.0986 -20.0986 -20.0973 -20.0973 -20.0923 -20.0923 -20.0909 -20.0909 -4.0911 -4.0911 -4.0211 -4.0211 0.6797 0.6797 0.7610 0.7610 1.6182 1.6182 2.1174 2.1174 2.4177 2.4177 2.7664 2.7664 6.1059 6.1059 6.1665 6.1665 7.4331 7.4331 7.6910 7.6910 7.7416 7.7416 k = 0.4062 0.4062 0.3045 ( 10304 PWs) bands (ev): -71.6556 -71.6556 -71.6555 -71.6555 -48.2312 -48.2312 -48.2311 -48.2311 -38.6024 -38.6024 -38.6018 -38.6018 -38.3178 -38.3178 -38.3173 -38.3173 -38.3107 -38.3107 -38.3101 -38.3101 -20.2737 -20.2737 -20.2731 -20.2731 -20.0987 -20.0987 -20.0972 -20.0972 -20.0924 -20.0924 -20.0909 -20.0909 -4.1133 -4.1133 -4.0260 -4.0260 0.6871 0.6871 0.7839 0.7839 1.5736 1.5736 2.1367 2.1367 2.4613 2.4613 2.8382 2.8382 6.0899 6.0899 6.1643 6.1643 7.4145 7.4145 7.6965 7.6965 7.7511 7.7511 k = 0.3958 0.3958 0.3045 ( 10314 PWs) bands (ev): -71.6556 -71.6556 -71.6555 -71.6555 -48.2312 -48.2312 -48.2311 -48.2311 -38.6024 -38.6024 -38.6018 -38.6018 -38.3178 -38.3178 -38.3172 -38.3172 -38.3109 -38.3109 -38.3101 -38.3101 -20.2737 -20.2737 -20.2731 -20.2731 -20.0988 -20.0988 -20.0971 -20.0971 -20.0925 -20.0925 -20.0908 -20.0908 -4.1376 -4.1376 -4.0315 -4.0315 0.6959 0.6959 0.8093 0.8093 1.5321 1.5321 2.1584 2.1584 2.5076 2.5076 2.9088 2.9088 6.0738 6.0738 6.1639 6.1639 7.4016 7.4016 7.7049 7.7049 7.7685 7.7685 k = 0.3854 0.3854 0.3045 ( 10314 PWs) bands (ev): -71.6556 -71.6556 -71.6555 -71.6555 -48.2312 -48.2312 -48.2311 -48.2311 -38.6025 -38.6025 -38.6017 -38.6017 -38.3178 -38.3178 -38.3170 -38.3170 -38.3110 -38.3110 -38.3101 -38.3101 -20.2738 -20.2738 -20.2730 -20.2730 -20.0988 -20.0988 -20.0970 -20.0970 -20.0925 -20.0925 -20.0907 -20.0907 -4.1638 -4.1638 -4.0376 -4.0376 0.7062 0.7062 0.8373 0.8373 1.4940 1.4940 2.1824 2.1824 2.5560 2.5560 2.9777 2.9777 6.0583 6.0583 6.1659 6.1659 7.3947 7.3947 7.7192 7.7192 7.7907 7.7907 k = 0.3750 0.3750 0.3045 ( 10318 PWs) bands (ev): -71.6556 -71.6556 -71.6554 -71.6554 -48.2312 -48.2312 -48.2311 -48.2311 -38.6026 -38.6026 -38.6016 -38.6016 -38.3178 -38.3178 -38.3169 -38.3169 -38.3112 -38.3112 -38.3101 -38.3101 -20.2738 -20.2738 -20.2729 -20.2729 -20.0988 -20.0988 -20.0970 -20.0970 -20.0926 -20.0926 -20.0907 -20.0907 -4.1917 -4.1917 -4.0443 -4.0443 0.7181 0.7181 0.8676 0.8676 1.4596 1.4596 2.2087 2.2087 2.6058 2.6058 3.0441 3.0441 6.0441 6.0441 6.1713 6.1713 7.3935 7.3935 7.7404 7.7404 7.8163 7.8163 k = 0.3646 0.3646 0.3045 ( 10314 PWs) bands (ev): -71.6556 -71.6556 -71.6554 -71.6554 -48.2312 -48.2312 -48.2311 -48.2311 -38.6026 -38.6026 -38.6015 -38.6015 -38.3178 -38.3178 -38.3167 -38.3167 -38.3113 -38.3113 -38.3101 -38.3101 -20.2738 -20.2738 -20.2729 -20.2729 -20.0988 -20.0988 -20.0969 -20.0969 -20.0926 -20.0926 -20.0906 -20.0906 -4.2211 -4.2211 -4.0516 -4.0516 0.7315 0.7315 0.9003 0.9003 1.4290 1.4290 2.2374 2.2374 2.6565 2.6565 3.1074 3.1074 6.0321 6.0321 6.1809 6.1809 7.3981 7.3981 7.7684 7.7684 7.8450 7.8450 k = 0.3542 0.3542 0.3045 ( 10328 PWs) bands (ev): -71.6557 -71.6557 -71.6554 -71.6554 -48.2312 -48.2312 -48.2311 -48.2311 -38.6028 -38.6028 -38.6014 -38.6014 -38.3178 -38.3178 -38.3166 -38.3166 -38.3116 -38.3116 -38.3101 -38.3101 -20.2739 -20.2739 -20.2728 -20.2728 -20.0989 -20.0989 -20.0968 -20.0968 -20.0927 -20.0927 -20.0905 -20.0905 -4.2518 -4.2518 -4.0594 -4.0594 0.7465 0.7465 0.9353 0.9353 1.4025 1.4025 2.2683 2.2683 2.7074 2.7074 3.1670 3.1670 6.0233 6.0233 6.1955 6.1955 7.4082 7.4082 7.8024 7.8024 7.8770 7.8770 k = 0.3438 0.3437 0.3045 ( 10332 PWs) bands (ev): -71.6557 -71.6557 -71.6554 -71.6554 -48.2312 -48.2312 -48.2311 -48.2311 -38.6029 -38.6029 -38.6014 -38.6014 -38.3178 -38.3178 -38.3164 -38.3164 -38.3118 -38.3118 -38.3101 -38.3101 -20.2739 -20.2739 -20.2727 -20.2727 -20.0989 -20.0989 -20.0968 -20.0968 -20.0927 -20.0927 -20.0905 -20.0905 -4.2836 -4.2836 -4.0677 -4.0677 0.7629 0.7629 0.9723 0.9723 1.3802 1.3802 2.3014 2.3014 2.7581 2.7581 3.2223 3.2223 6.0185 6.0185 6.2159 6.2159 7.4234 7.4234 7.8411 7.8411 7.9126 7.9126 k = 0.3333 0.3333 0.3045 ( 10336 PWs) bands (ev): -71.6557 -71.6557 -71.6554 -71.6554 -48.2312 -48.2312 -48.2311 -48.2311 -38.6029 -38.6029 -38.6013 -38.6013 -38.3178 -38.3178 -38.3162 -38.3162 -38.3120 -38.3120 -38.3101 -38.3101 -20.2740 -20.2740 -20.2726 -20.2726 -20.0989 -20.0989 -20.0967 -20.0967 -20.0928 -20.0928 -20.0904 -20.0904 -4.3164 -4.3164 -4.0766 -4.0766 0.7809 0.7809 1.0113 1.0113 1.3626 1.3626 2.3366 2.3366 2.8080 2.8080 3.2728 3.2728 6.0185 6.0185 6.2429 6.2429 7.4434 7.4434 7.8826 7.8826 7.9528 7.9528 k = 0.3229 0.3229 0.3045 ( 10348 PWs) bands (ev): -71.6557 -71.6557 -71.6554 -71.6554 -48.2313 -48.2313 -48.2311 -48.2311 -38.6031 -38.6031 -38.6012 -38.6012 -38.3178 -38.3178 -38.3161 -38.3161 -38.3122 -38.3122 -38.3101 -38.3101 -20.2741 -20.2741 -20.2725 -20.2725 -20.0989 -20.0989 -20.0967 -20.0967 -20.0928 -20.0928 -20.0903 -20.0903 -4.3500 -4.3500 -4.0859 -4.0859 0.8001 0.8001 1.0517 1.0517 1.3498 1.3498 2.3739 2.3739 2.8567 2.8567 3.3179 3.3179 6.0241 6.0241 6.2770 6.2770 7.4679 7.4679 7.9247 7.9247 7.9981 7.9981 k = 0.3125 0.3125 0.3045 ( 10352 PWs) bands (ev): -71.6557 -71.6557 -71.6553 -71.6553 -48.2313 -48.2313 -48.2311 -48.2311 -38.6031 -38.6031 -38.6011 -38.6011 -38.3178 -38.3178 -38.3159 -38.3159 -38.3124 -38.3124 -38.3101 -38.3101 -20.2742 -20.2742 -20.2724 -20.2724 -20.0989 -20.0989 -20.0966 -20.0966 -20.0928 -20.0928 -20.0903 -20.0903 -4.3841 -4.3841 -4.0957 -4.0957 0.8207 0.8207 1.0930 1.0930 1.3427 1.3427 2.4132 2.4132 2.9039 2.9039 3.3573 3.3573 6.0358 6.0358 6.3189 6.3189 7.4965 7.4965 7.9657 7.9657 8.0480 8.0480 k = 0.3021 0.3021 0.3045 ( 10352 PWs) bands (ev): -71.6557 -71.6557 -71.6553 -71.6553 -48.2313 -48.2313 -48.2311 -48.2311 -38.6032 -38.6032 -38.6010 -38.6010 -38.3178 -38.3178 -38.3157 -38.3157 -38.3126 -38.3126 -38.3101 -38.3101 -20.2742 -20.2742 -20.2723 -20.2723 -20.0989 -20.0989 -20.0966 -20.0966 -20.0928 -20.0928 -20.0902 -20.0902 -4.4187 -4.4187 -4.1060 -4.1060 0.8424 0.8424 1.1344 1.1344 1.3420 1.3420 2.4543 2.4543 2.9494 2.9494 3.3908 3.3908 6.0541 6.0541 6.3689 6.3689 7.5287 7.5287 8.0046 8.0046 8.0998 8.0998 k = 0.2917 0.2917 0.3045 ( 10340 PWs) bands (ev): -71.6558 -71.6558 -71.6553 -71.6553 -48.2313 -48.2313 -48.2310 -48.2310 -38.6033 -38.6033 -38.6009 -38.6009 -38.3178 -38.3178 -38.3155 -38.3155 -38.3128 -38.3128 -38.3100 -38.3100 -20.2743 -20.2743 -20.2722 -20.2722 -20.0989 -20.0989 -20.0965 -20.0965 -20.0928 -20.0928 -20.0901 -20.0901 -4.4536 -4.4536 -4.1166 -4.1166 0.8651 0.8651 1.1740 1.1740 1.3493 1.3493 2.4972 2.4972 2.9932 2.9932 3.4181 3.4181 6.0793 6.0793 6.4273 6.4273 7.5641 7.5641 8.0403 8.0403 8.1480 8.1480 k = 0.2812 0.2812 0.3045 ( 10340 PWs) bands (ev): -71.6558 -71.6558 -71.6553 -71.6553 -48.2313 -48.2313 -48.2310 -48.2310 -38.6034 -38.6034 -38.6008 -38.6008 -38.3178 -38.3178 -38.3153 -38.3153 -38.3130 -38.3130 -38.3100 -38.3100 -20.2743 -20.2743 -20.2720 -20.2720 -20.0989 -20.0989 -20.0965 -20.0965 -20.0928 -20.0928 -20.0900 -20.0900 -4.4885 -4.4885 -4.1276 -4.1276 0.8887 0.8887 1.2100 1.2100 1.3666 1.3666 2.5418 2.5418 3.0350 3.0350 3.4393 3.4393 6.1114 6.1114 6.4943 6.4943 7.6022 7.6022 8.0692 8.0692 8.1839 8.1839 k = 0.2708 0.2708 0.3045 ( 10342 PWs) bands (ev): -71.6558 -71.6558 -71.6553 -71.6553 -48.2313 -48.2313 -48.2310 -48.2310 -38.6035 -38.6035 -38.6007 -38.6007 -38.3178 -38.3178 -38.3151 -38.3151 -38.3132 -38.3132 -38.3100 -38.3100 -20.2744 -20.2744 -20.2719 -20.2719 -20.0989 -20.0989 -20.0965 -20.0965 -20.0928 -20.0928 -20.0900 -20.0900 -4.5234 -4.5234 -4.1389 -4.1389 0.9129 0.9129 1.2406 1.2406 1.3956 1.3956 2.5878 2.5878 3.0752 3.0752 3.4546 3.4546 6.1503 6.1503 6.5699 6.5699 7.6421 7.6421 8.0794 8.0794 8.2009 8.2009 k = 0.2604 0.2604 0.3045 ( 10334 PWs) bands (ev): -71.6558 -71.6558 -71.6553 -71.6553 -48.2313 -48.2313 -48.2310 -48.2310 -38.6036 -38.6036 -38.6006 -38.6006 -38.3178 -38.3178 -38.3150 -38.3150 -38.3134 -38.3134 -38.3100 -38.3100 -20.2745 -20.2745 -20.2718 -20.2718 -20.0989 -20.0989 -20.0964 -20.0964 -20.0928 -20.0928 -20.0899 -20.0899 -4.5580 -4.5580 -4.1505 -4.1505 0.9376 0.9376 1.2664 1.2664 1.4355 1.4355 2.6352 2.6352 3.1139 3.1139 3.4641 3.4641 6.1960 6.1960 6.6539 6.6539 7.6827 7.6827 8.0440 8.0440 8.2105 8.2105 k = 0.2500 0.2500 0.3045 ( 10344 PWs) bands (ev): -71.6558 -71.6558 -71.6552 -71.6552 -48.2313 -48.2313 -48.2310 -48.2310 -38.6036 -38.6036 -38.6005 -38.6005 -38.3178 -38.3178 -38.3148 -38.3148 -38.3136 -38.3136 -38.3100 -38.3100 -20.2745 -20.2745 -20.2717 -20.2717 -20.0989 -20.0989 -20.0964 -20.0964 -20.0928 -20.0928 -20.0898 -20.0898 -4.5924 -4.5924 -4.1623 -4.1623 0.9625 0.9625 1.2898 1.2898 1.4838 1.4838 2.6837 2.6837 3.1514 3.1514 3.4683 3.4683 6.2478 6.2478 6.7461 6.7461 7.7213 7.7213 7.9560 7.9560 8.2243 8.2243 k = 0.2396 0.2396 0.3045 ( 10348 PWs) bands (ev): -71.6559 -71.6559 -71.6552 -71.6552 -48.2313 -48.2313 -48.2310 -48.2310 -38.6038 -38.6038 -38.6004 -38.6004 -38.3178 -38.3178 -38.3147 -38.3147 -38.3138 -38.3138 -38.3099 -38.3099 -20.2746 -20.2746 -20.2716 -20.2716 -20.0989 -20.0989 -20.0964 -20.0964 -20.0928 -20.0928 -20.0898 -20.0898 -4.6262 -4.6262 -4.1742 -4.1742 0.9876 0.9876 1.3131 1.3131 1.5379 1.5379 2.7330 2.7330 3.1881 3.1881 3.4677 3.4677 6.3054 6.3054 6.8461 6.8461 7.7431 7.7431 7.8508 7.8508 8.2312 8.2312 k = 0.2292 0.2292 0.3045 ( 10360 PWs) bands (ev): -71.6559 -71.6559 -71.6552 -71.6552 -48.2314 -48.2314 -48.2310 -48.2310 -38.6039 -38.6039 -38.6003 -38.6003 -38.3178 -38.3178 -38.3145 -38.3145 -38.3140 -38.3140 -38.3099 -38.3099 -20.2747 -20.2747 -20.2715 -20.2715 -20.0989 -20.0989 -20.0964 -20.0964 -20.0929 -20.0929 -20.0897 -20.0897 -4.6594 -4.6594 -4.1862 -4.1862 1.0125 1.0125 1.3377 1.3377 1.5963 1.5963 2.7830 2.7830 3.2244 3.2244 3.4626 3.4626 6.3678 6.3678 6.9534 6.9534 7.6646 7.6646 7.8281 7.8281 8.2130 8.2130 k = 0.2188 0.2187 0.3045 ( 10350 PWs) bands (ev): -71.6559 -71.6559 -71.6552 -71.6552 -48.2314 -48.2314 -48.2310 -48.2310 -38.6040 -38.6040 -38.6002 -38.6002 -38.3179 -38.3179 -38.3143 -38.3143 -38.3142 -38.3142 -38.3098 -38.3098 -20.2747 -20.2747 -20.2713 -20.2713 -20.0989 -20.0989 -20.0963 -20.0963 -20.0929 -20.0929 -20.0896 -20.0896 -4.6919 -4.6919 -4.1983 -4.1983 1.0372 1.0372 1.3647 1.3647 1.6579 1.6579 2.8332 2.8332 3.2607 3.2607 3.4539 3.4539 6.4341 6.4341 7.0674 7.0674 7.5281 7.5281 7.8522 7.8522 8.1527 8.1527 k = 0.2083 0.2083 0.3045 ( 10346 PWs) bands (ev): -71.6559 -71.6559 -71.6552 -71.6552 -48.2314 -48.2314 -48.2310 -48.2310 -38.6041 -38.6041 -38.6000 -38.6000 -38.3179 -38.3179 -38.3143 -38.3143 -38.3142 -38.3142 -38.3097 -38.3097 -20.2748 -20.2748 -20.2712 -20.2712 -20.0989 -20.0989 -20.0963 -20.0963 -20.0929 -20.0929 -20.0895 -20.0895 -4.7235 -4.7235 -4.2104 -4.2104 1.0613 1.0613 1.3942 1.3942 1.7219 1.7219 2.8832 2.8832 3.2976 3.2976 3.4420 3.4420 6.5028 6.5028 7.1873 7.1873 7.3867 7.3867 7.8685 7.8685 8.0552 8.0552 k = 0.1979 0.1979 0.3045 ( 10342 PWs) bands (ev): -71.6559 -71.6559 -71.6551 -71.6551 -48.2314 -48.2314 -48.2310 -48.2310 -38.6042 -38.6042 -38.5999 -38.5999 -38.3180 -38.3180 -38.3145 -38.3145 -38.3140 -38.3140 -38.3096 -38.3096 -20.2749 -20.2749 -20.2711 -20.2711 -20.0989 -20.0989 -20.0962 -20.0962 -20.0929 -20.0929 -20.0894 -20.0894 -4.7542 -4.7542 -4.2223 -4.2223 1.0847 1.0847 1.4266 1.4266 1.7878 1.7878 2.9325 2.9325 3.3354 3.3354 3.4278 3.4278 6.5706 6.5706 7.2482 7.2482 7.3139 7.3139 7.8443 7.8443 7.9617 7.9617 k = 0.1875 0.1875 0.3045 ( 10354 PWs) bands (ev): -71.6560 -71.6560 -71.6551 -71.6551 -48.2314 -48.2314 -48.2310 -48.2310 -38.6043 -38.6043 -38.5998 -38.5998 -38.3181 -38.3181 -38.3147 -38.3147 -38.3139 -38.3139 -38.3095 -38.3095 -20.2749 -20.2749 -20.2710 -20.2710 -20.0989 -20.0989 -20.0962 -20.0962 -20.0929 -20.0929 -20.0893 -20.0893 -4.7839 -4.7839 -4.2341 -4.2341 1.1073 1.1073 1.4619 1.4619 1.8554 1.8554 2.9802 2.9802 3.3742 3.3742 3.4124 3.4124 6.6309 6.6309 7.1255 7.1255 7.4415 7.4415 7.7383 7.7383 7.9230 7.9230 k = 0.1771 0.1771 0.3045 ( 10350 PWs) bands (ev): -71.6560 -71.6560 -71.6551 -71.6551 -48.2314 -48.2314 -48.2309 -48.2309 -38.6044 -38.6044 -38.5997 -38.5997 -38.3181 -38.3181 -38.3148 -38.3148 -38.3138 -38.3138 -38.3094 -38.3094 -20.2750 -20.2750 -20.2709 -20.2709 -20.0989 -20.0989 -20.0961 -20.0961 -20.0930 -20.0930 -20.0892 -20.0892 -4.8124 -4.8124 -4.2457 -4.2457 1.1290 1.1290 1.4999 1.4999 1.9241 1.9241 3.0254 3.0254 3.3946 3.3946 3.4169 3.4169 6.6650 6.6650 7.0347 7.0347 7.5623 7.5623 7.6089 7.6089 7.8942 7.8942 k = 0.1667 0.1667 0.3045 ( 10346 PWs) bands (ev): -71.6560 -71.6560 -71.6551 -71.6551 -48.2314 -48.2314 -48.2309 -48.2309 -38.6045 -38.6045 -38.5996 -38.5996 -38.3182 -38.3182 -38.3149 -38.3149 -38.3137 -38.3137 -38.3093 -38.3093 -20.2750 -20.2750 -20.2707 -20.2707 -20.0989 -20.0989 -20.0960 -20.0960 -20.0930 -20.0930 -20.0891 -20.0891 -4.8397 -4.8397 -4.2570 -4.2570 1.1494 1.1494 1.5407 1.5407 1.9937 1.9937 3.0664 3.0664 3.3808 3.3808 3.4588 3.4588 6.6407 6.6407 7.0093 7.0093 7.4529 7.4529 7.6930 7.6930 7.8625 7.8625 k = 0.1562 0.1562 0.3045 ( 10348 PWs) bands (ev): -71.6560 -71.6560 -71.6551 -71.6551 -48.2314 -48.2314 -48.2309 -48.2309 -38.6046 -38.6046 -38.5995 -38.5995 -38.3183 -38.3183 -38.3149 -38.3149 -38.3136 -38.3136 -38.3092 -38.3092 -20.2751 -20.2751 -20.2706 -20.2706 -20.0990 -20.0990 -20.0960 -20.0960 -20.0931 -20.0931 -20.0890 -20.0890 -4.8658 -4.8658 -4.2680 -4.2680 1.1687 1.1687 1.5840 1.5840 2.0638 2.0638 3.1005 3.1005 3.3704 3.3704 3.5033 3.5033 6.5591 6.5591 7.0479 7.0479 7.3106 7.3106 7.7242 7.7242 7.9016 7.9016 k = 0.1458 0.1458 0.3045 ( 10356 PWs) bands (ev): -71.6560 -71.6560 -71.6550 -71.6550 -48.2314 -48.2314 -48.2309 -48.2309 -38.6046 -38.6046 -38.5995 -38.5995 -38.3184 -38.3184 -38.3150 -38.3150 -38.3136 -38.3136 -38.3091 -38.3091 -20.2752 -20.2752 -20.2705 -20.2705 -20.0990 -20.0990 -20.0959 -20.0959 -20.0931 -20.0931 -20.0889 -20.0889 -4.8904 -4.8904 -4.2786 -4.2786 1.1867 1.1867 1.6297 1.6297 2.1339 2.1339 3.1241 3.1241 3.3679 3.3679 3.5496 3.5496 6.4534 6.4534 7.1110 7.1110 7.1767 7.1767 7.6605 7.6605 8.0232 8.0232 k = 0.1354 0.1354 0.3045 ( 10358 PWs) bands (ev): -71.6561 -71.6561 -71.6550 -71.6550 -48.2315 -48.2315 -48.2309 -48.2309 -38.6047 -38.6047 -38.5994 -38.5994 -38.3185 -38.3185 -38.3151 -38.3151 -38.3135 -38.3135 -38.3090 -38.3090 -20.2752 -20.2752 -20.2704 -20.2704 -20.0990 -20.0990 -20.0958 -20.0958 -20.0932 -20.0932 -20.0888 -20.0888 -4.9136 -4.9136 -4.2887 -4.2887 1.2032 1.2032 1.6776 1.6776 2.2036 2.2036 3.1338 3.1338 3.3767 3.3767 3.5976 3.5976 6.3422 6.3422 7.0273 7.0273 7.2050 7.2050 7.5754 7.5754 8.1440 8.1440 k = 0.1250 0.1250 0.3045 ( 10354 PWs) bands (ev): -71.6561 -71.6561 -71.6550 -71.6550 -48.2315 -48.2315 -48.2309 -48.2309 -38.6048 -38.6048 -38.5993 -38.5993 -38.3186 -38.3186 -38.3151 -38.3151 -38.3135 -38.3135 -38.3089 -38.3089 -20.2752 -20.2752 -20.2704 -20.2704 -20.0990 -20.0990 -20.0958 -20.0958 -20.0932 -20.0932 -20.0888 -20.0888 -4.9354 -4.9354 -4.2984 -4.2984 1.2184 1.2184 1.7273 1.7273 2.2724 2.2724 3.1295 3.1295 3.3969 3.3969 3.6467 3.6467 6.2325 6.2325 6.8965 6.8965 7.2841 7.2841 7.4899 7.4899 8.0570 8.0570 k = 0.1146 0.1146 0.3045 ( 10358 PWs) bands (ev): -71.6561 -71.6561 -71.6550 -71.6550 -48.2315 -48.2315 -48.2309 -48.2309 -38.6049 -38.6049 -38.5992 -38.5992 -38.3187 -38.3187 -38.3152 -38.3152 -38.3134 -38.3134 -38.3088 -38.3088 -20.2753 -20.2753 -20.2703 -20.2703 -20.0991 -20.0991 -20.0957 -20.0957 -20.0933 -20.0933 -20.0887 -20.0887 -4.9556 -4.9556 -4.3074 -4.3074 1.2321 1.2321 1.7785 1.7785 2.3396 2.3396 3.1144 3.1144 3.4256 3.4256 3.6964 3.6964 6.1272 6.1272 6.7701 6.7701 7.3177 7.3177 7.4521 7.4521 7.9590 7.9590 k = 0.1042 0.1042 0.3045 ( 10344 PWs) bands (ev): -71.6561 -71.6561 -71.6550 -71.6550 -48.2315 -48.2315 -48.2309 -48.2309 -38.6049 -38.6049 -38.5991 -38.5991 -38.3188 -38.3188 -38.3152 -38.3152 -38.3134 -38.3134 -38.3086 -38.3086 -20.2753 -20.2753 -20.2702 -20.2702 -20.0991 -20.0991 -20.0956 -20.0956 -20.0934 -20.0934 -20.0886 -20.0886 -4.9742 -4.9742 -4.3159 -4.3159 1.2445 1.2445 1.8310 1.8310 2.4044 2.4044 3.0924 3.0924 3.4589 3.4589 3.7460 3.7460 6.0279 6.0279 6.6501 6.6501 7.2518 7.2518 7.5163 7.5163 7.8651 7.8651 k = 0.0938 0.0937 0.3045 ( 10350 PWs) bands (ev): -71.6561 -71.6561 -71.6550 -71.6550 -48.2315 -48.2315 -48.2309 -48.2309 -38.6050 -38.6050 -38.5991 -38.5991 -38.3189 -38.3189 -38.3153 -38.3153 -38.3133 -38.3133 -38.3085 -38.3085 -20.2754 -20.2754 -20.2701 -20.2701 -20.0991 -20.0991 -20.0955 -20.0955 -20.0934 -20.0934 -20.0885 -20.0885 -4.9911 -4.9911 -4.3236 -4.3236 1.2554 1.2554 1.8841 1.8841 2.4658 2.4658 3.0664 3.0664 3.4941 3.4941 3.7950 3.7950 5.9357 5.9357 6.5371 6.5371 7.1635 7.1635 7.6050 7.6050 7.7781 7.7781 k = 0.0833 0.0833 0.3045 ( 10366 PWs) bands (ev): -71.6561 -71.6561 -71.6550 -71.6550 -48.2315 -48.2315 -48.2309 -48.2309 -38.6051 -38.6051 -38.5990 -38.5990 -38.3190 -38.3190 -38.3154 -38.3154 -38.3133 -38.3133 -38.3085 -38.3085 -20.2754 -20.2754 -20.2701 -20.2701 -20.0991 -20.0991 -20.0954 -20.0954 -20.0935 -20.0935 -20.0885 -20.0885 -5.0064 -5.0064 -4.3307 -4.3307 1.2650 1.2650 1.9375 1.9375 2.5227 2.5227 3.0386 3.0386 3.5293 3.5293 3.8423 3.8423 5.8513 5.8513 6.4323 6.4323 7.0757 7.0757 7.6656 7.6656 7.7298 7.7298 k = 0.0729 0.0729 0.3045 ( 10360 PWs) bands (ev): -71.6561 -71.6561 -71.6550 -71.6550 -48.2315 -48.2315 -48.2309 -48.2309 -38.6051 -38.6051 -38.5990 -38.5990 -38.3190 -38.3190 -38.3154 -38.3154 -38.3133 -38.3133 -38.3084 -38.3084 -20.2754 -20.2754 -20.2700 -20.2700 -20.0991 -20.0991 -20.0953 -20.0953 -20.0936 -20.0936 -20.0884 -20.0884 -5.0199 -5.0199 -4.3371 -4.3371 1.2733 1.2733 1.9905 1.9905 2.5737 2.5737 3.0108 3.0108 3.5631 3.5631 3.8872 3.8872 5.7753 5.7753 6.3365 6.3365 6.9929 6.9929 7.6072 7.6072 7.8079 7.8079 k = 0.0625 0.0625 0.3045 ( 10372 PWs) bands (ev): -71.6561 -71.6561 -71.6550 -71.6550 -48.2315 -48.2315 -48.2309 -48.2309 -38.6052 -38.6052 -38.5990 -38.5990 -38.3191 -38.3191 -38.3154 -38.3154 -38.3133 -38.3133 -38.3083 -38.3083 -20.2755 -20.2755 -20.2700 -20.2700 -20.0992 -20.0992 -20.0953 -20.0953 -20.0937 -20.0937 -20.0884 -20.0884 -5.0318 -5.0318 -4.3426 -4.3426 1.2803 1.2803 2.0421 2.0421 2.6168 2.6168 2.9851 2.9851 3.5947 3.5947 3.9287 3.9287 5.7083 5.7083 6.2506 6.2506 6.9174 6.9174 7.5407 7.5407 7.9001 7.9001 k = 0.0521 0.0521 0.3045 ( 10386 PWs) bands (ev): -71.6561 -71.6561 -71.6549 -71.6549 -48.2315 -48.2315 -48.2309 -48.2309 -38.6053 -38.6053 -38.5989 -38.5989 -38.3192 -38.3192 -38.3155 -38.3155 -38.3133 -38.3133 -38.3083 -38.3083 -20.2755 -20.2755 -20.2700 -20.2700 -20.0992 -20.0992 -20.0952 -20.0952 -20.0938 -20.0938 -20.0884 -20.0884 -5.0418 -5.0418 -4.3474 -4.3474 1.2861 1.2861 2.0915 2.0915 2.6500 2.6500 2.9636 2.9636 3.6230 3.6230 3.9660 3.9660 5.6508 5.6508 6.1757 6.1757 6.8507 6.8507 7.4817 7.4817 7.9898 7.9898 k = 0.0417 0.0417 0.3045 ( 10376 PWs) bands (ev): -71.6561 -71.6561 -71.6549 -71.6549 -48.2315 -48.2315 -48.2309 -48.2309 -38.6053 -38.6053 -38.5989 -38.5989 -38.3192 -38.3192 -38.3155 -38.3155 -38.3133 -38.3133 -38.3082 -38.3082 -20.2755 -20.2755 -20.2699 -20.2699 -20.0992 -20.0992 -20.0951 -20.0951 -20.0938 -20.0938 -20.0883 -20.0883 -5.0500 -5.0500 -4.3513 -4.3513 1.2908 1.2908 2.1370 2.1370 2.6714 2.6714 2.9485 2.9485 3.6474 3.6474 3.9981 3.9981 5.6031 5.6031 6.1127 6.1127 6.7941 6.7941 7.4319 7.4319 8.0733 8.0733 k = 0.0312 0.0312 0.3045 ( 10370 PWs) bands (ev): -71.6562 -71.6562 -71.6549 -71.6549 -48.2315 -48.2315 -48.2309 -48.2309 -38.6053 -38.6053 -38.5989 -38.5989 -38.3193 -38.3193 -38.3155 -38.3155 -38.3133 -38.3133 -38.3081 -38.3081 -20.2755 -20.2755 -20.2699 -20.2699 -20.0992 -20.0992 -20.0950 -20.0950 -20.0939 -20.0939 -20.0882 -20.0882 -5.0565 -5.0565 -4.3544 -4.3544 1.2944 1.2944 2.1768 2.1768 2.6811 2.6811 2.9407 2.9407 3.6671 3.6671 4.0241 4.0241 5.5657 5.5657 6.0625 6.0625 6.7488 6.7488 7.3923 7.3923 8.1470 8.1470 k = 0.0208 0.0208 0.3045 ( 10388 PWs) bands (ev): -71.6562 -71.6562 -71.6549 -71.6549 -48.2315 -48.2315 -48.2309 -48.2309 -38.6053 -38.6053 -38.5989 -38.5989 -38.3193 -38.3193 -38.3155 -38.3155 -38.3133 -38.3133 -38.3082 -38.3082 -20.2756 -20.2756 -20.2699 -20.2699 -20.0992 -20.0992 -20.0950 -20.0950 -20.0940 -20.0940 -20.0883 -20.0883 -5.0611 -5.0611 -4.3566 -4.3566 1.2969 1.2969 2.2085 2.2085 2.6821 2.6821 2.9386 2.9386 3.6817 3.6817 4.0433 4.0433 5.5388 5.5388 6.0260 6.0260 6.7157 6.7157 7.3635 7.3635 8.2059 8.2059 k = 0.0104 0.0104 0.3045 ( 10408 PWs) bands (ev): -71.6562 -71.6562 -71.6549 -71.6549 -48.2315 -48.2315 -48.2309 -48.2309 -38.6054 -38.6054 -38.5989 -38.5989 -38.3194 -38.3194 -38.3156 -38.3156 -38.3133 -38.3133 -38.3082 -38.3082 -20.2756 -20.2756 -20.2699 -20.2699 -20.0993 -20.0993 -20.0950 -20.0950 -20.0940 -20.0940 -20.0883 -20.0883 -5.0638 -5.0638 -4.3580 -4.3580 1.2984 1.2984 2.2292 2.2292 2.6795 2.6795 2.9392 2.9392 3.6906 3.6906 4.0551 4.0551 5.5225 5.5225 6.0038 6.0038 6.6955 6.6955 7.3460 7.3460 8.2447 8.2447 k = 0.0000 0.0000 0.3045 ( 10414 PWs) bands (ev): -71.6562 -71.6562 -71.6549 -71.6549 -48.2315 -48.2315 -48.2309 -48.2309 -38.6054 -38.6054 -38.5989 -38.5989 -38.3194 -38.3194 -38.3156 -38.3156 -38.3133 -38.3133 -38.3082 -38.3082 -20.2756 -20.2756 -20.2699 -20.2699 -20.0993 -20.0993 -20.0950 -20.0950 -20.0941 -20.0941 -20.0883 -20.0883 -5.0648 -5.0648 -4.3584 -4.3584 1.2989 1.2989 2.2364 2.2364 2.6780 2.6780 2.9397 2.9397 3.6936 3.6936 4.0591 4.0591 5.5171 5.5171 5.9964 5.9964 6.6887 6.6887 7.3402 7.3402 8.2583 8.2583 k = 0.0000 0.5000-0.0000 ( 10346 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2312 -48.2312 -48.2312 -48.2312 -38.6020 -38.6020 -38.6020 -38.6020 -38.3144 -38.3144 -38.3144 -38.3144 -38.3138 -38.3138 -38.3138 -38.3138 -20.2731 -20.2731 -20.2731 -20.2731 -20.0978 -20.0978 -20.0978 -20.0978 -20.0912 -20.0912 -20.0912 -20.0912 -4.3622 -4.3622 -4.3622 -4.3622 0.6216 0.6216 0.6216 0.6216 2.4010 2.4010 2.4010 2.4010 3.6777 3.6777 3.6777 3.6777 6.7321 6.7321 6.7321 6.7321 7.9932 7.9932 7.9932 7.9932 8.2264 8.2264 k = 0.0000 0.5000 0.0145 ( 10358 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2312 -48.2312 -48.2312 -48.2312 -38.6021 -38.6021 -38.6021 -38.6021 -38.3144 -38.3144 -38.3144 -38.3144 -38.3138 -38.3138 -38.3138 -38.3138 -20.2732 -20.2732 -20.2732 -20.2732 -20.0978 -20.0978 -20.0978 -20.0978 -20.0912 -20.0912 -20.0912 -20.0912 -4.3622 -4.3622 -4.3622 -4.3622 0.6195 0.6195 0.6195 0.6195 2.4052 2.4052 2.4052 2.4052 3.6778 3.6778 3.6778 3.6778 6.7303 6.7303 6.7303 6.7303 7.9500 7.9500 7.9500 7.9500 8.2304 8.2304 k = 0.0000 0.5000 0.0290 ( 10358 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2312 -48.2312 -48.2312 -48.2312 -38.6021 -38.6021 -38.6021 -38.6021 -38.3144 -38.3144 -38.3144 -38.3144 -38.3138 -38.3138 -38.3138 -38.3138 -20.2732 -20.2732 -20.2732 -20.2732 -20.0978 -20.0978 -20.0978 -20.0978 -20.0912 -20.0912 -20.0912 -20.0912 -4.3620 -4.3620 -4.3620 -4.3620 0.6132 0.6132 0.6132 0.6132 2.4179 2.4179 2.4179 2.4179 3.6782 3.6782 3.6782 3.6782 6.7247 6.7247 6.7247 6.7247 7.8590 7.8590 7.8590 7.8590 8.2291 8.2291 k = 0.0000 0.5000 0.0435 ( 10358 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2312 -48.2312 -48.2312 -48.2312 -38.6021 -38.6021 -38.6021 -38.6021 -38.3144 -38.3144 -38.3144 -38.3144 -38.3138 -38.3138 -38.3138 -38.3138 -20.2732 -20.2732 -20.2732 -20.2732 -20.0978 -20.0978 -20.0978 -20.0978 -20.0912 -20.0912 -20.0912 -20.0912 -4.3616 -4.3616 -4.3616 -4.3616 0.6031 0.6031 0.6031 0.6031 2.4386 2.4386 2.4386 2.4386 3.6790 3.6790 3.6790 3.6790 6.7147 6.7147 6.7147 6.7147 7.7563 7.7563 7.7563 7.7563 8.2209 8.2209 k = 0.0000 0.5000 0.0580 ( 10368 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2312 -48.2312 -48.2312 -48.2312 -38.6021 -38.6021 -38.6021 -38.6021 -38.3144 -38.3144 -38.3144 -38.3144 -38.3138 -38.3138 -38.3138 -38.3138 -20.2732 -20.2732 -20.2732 -20.2732 -20.0978 -20.0978 -20.0978 -20.0978 -20.0912 -20.0912 -20.0912 -20.0912 -4.3612 -4.3612 -4.3612 -4.3612 0.5894 0.5894 0.5894 0.5894 2.4668 2.4668 2.4668 2.4668 3.6800 3.6800 3.6800 3.6800 6.6993 6.6993 6.6993 6.6993 7.6541 7.6541 7.6541 7.6541 8.2083 8.2083 k = 0.0000 0.5000 0.0725 ( 10372 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2312 -48.2312 -48.2312 -48.2312 -38.6021 -38.6021 -38.6021 -38.6021 -38.3144 -38.3144 -38.3144 -38.3144 -38.3138 -38.3138 -38.3138 -38.3138 -20.2732 -20.2732 -20.2732 -20.2732 -20.0979 -20.0979 -20.0979 -20.0979 -20.0912 -20.0912 -20.0912 -20.0912 -4.3606 -4.3606 -4.3606 -4.3606 0.5729 0.5729 0.5729 0.5729 2.5019 2.5019 2.5019 2.5019 3.6813 3.6813 3.6813 3.6813 6.6770 6.6770 6.6770 6.6770 7.5578 7.5578 7.5578 7.5578 8.1925 8.1925 k = 0.0000 0.5000 0.0870 ( 10352 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2312 -48.2312 -48.2312 -48.2312 -38.6021 -38.6021 -38.6021 -38.6021 -38.3144 -38.3144 -38.3144 -38.3144 -38.3138 -38.3138 -38.3138 -38.3138 -20.2732 -20.2732 -20.2732 -20.2732 -20.0978 -20.0978 -20.0978 -20.0978 -20.0912 -20.0912 -20.0912 -20.0912 -4.3600 -4.3600 -4.3600 -4.3600 0.5540 0.5540 0.5540 0.5540 2.5430 2.5430 2.5430 2.5430 3.6829 3.6829 3.6829 3.6829 6.6461 6.6461 6.6461 6.6461 7.4711 7.4711 7.4711 7.4711 8.1742 8.1742 k = 0.0000 0.5000 0.1015 ( 10360 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2312 -48.2312 -48.2312 -48.2312 -38.6021 -38.6021 -38.6021 -38.6021 -38.3144 -38.3144 -38.3144 -38.3144 -38.3138 -38.3138 -38.3138 -38.3138 -20.2732 -20.2732 -20.2732 -20.2732 -20.0978 -20.0978 -20.0978 -20.0978 -20.0912 -20.0912 -20.0912 -20.0912 -4.3592 -4.3592 -4.3592 -4.3592 0.5333 0.5333 0.5333 0.5333 2.5893 2.5893 2.5893 2.5893 3.6849 3.6849 3.6849 3.6849 6.6051 6.6051 6.6051 6.6051 7.3964 7.3964 7.3964 7.3964 8.1540 8.1540 k = 0.0000 0.5000 0.1160 ( 10352 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2312 -48.2312 -48.2312 -48.2312 -38.6021 -38.6021 -38.6021 -38.6021 -38.3144 -38.3144 -38.3144 -38.3144 -38.3138 -38.3138 -38.3138 -38.3138 -20.2732 -20.2732 -20.2732 -20.2732 -20.0978 -20.0978 -20.0978 -20.0978 -20.0912 -20.0912 -20.0912 -20.0912 -4.3584 -4.3584 -4.3584 -4.3584 0.5116 0.5116 0.5116 0.5116 2.6397 2.6397 2.6397 2.6397 3.6871 3.6871 3.6871 3.6871 6.5533 6.5533 6.5533 6.5533 7.3354 7.3354 7.3354 7.3354 8.1327 8.1327 k = 0.0000 0.5000 0.1305 ( 10342 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2312 -48.2312 -48.2312 -48.2312 -38.6020 -38.6020 -38.6020 -38.6020 -38.3144 -38.3144 -38.3144 -38.3144 -38.3137 -38.3137 -38.3137 -38.3137 -20.2731 -20.2731 -20.2731 -20.2731 -20.0978 -20.0978 -20.0978 -20.0978 -20.0912 -20.0912 -20.0912 -20.0912 -4.3576 -4.3576 -4.3576 -4.3576 0.4893 0.4893 0.4893 0.4893 2.6934 2.6934 2.6934 2.6934 3.6898 3.6898 3.6898 3.6898 6.4912 6.4912 6.4912 6.4912 7.2882 7.2882 7.2882 7.2882 8.1108 8.1108 k = 0.0000 0.5000 0.1450 ( 10324 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2312 -48.2312 -48.2312 -48.2312 -38.6020 -38.6020 -38.6020 -38.6020 -38.3143 -38.3143 -38.3143 -38.3143 -38.3137 -38.3137 -38.3137 -38.3137 -20.2731 -20.2731 -20.2731 -20.2731 -20.0978 -20.0978 -20.0978 -20.0978 -20.0911 -20.0911 -20.0911 -20.0911 -4.3567 -4.3567 -4.3567 -4.3567 0.4670 0.4670 0.4670 0.4670 2.7492 2.7492 2.7492 2.7492 3.6928 3.6928 3.6928 3.6928 6.4207 6.4207 6.4207 6.4207 7.2536 7.2536 7.2536 7.2536 8.0888 8.0888 k = 0.0000 0.5000 0.1595 ( 10324 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2312 -48.2312 -48.2312 -48.2312 -38.6020 -38.6020 -38.6020 -38.6020 -38.3143 -38.3143 -38.3143 -38.3143 -38.3137 -38.3137 -38.3137 -38.3137 -20.2731 -20.2731 -20.2731 -20.2731 -20.0978 -20.0978 -20.0978 -20.0978 -20.0911 -20.0911 -20.0911 -20.0911 -4.3558 -4.3558 -4.3558 -4.3558 0.4452 0.4452 0.4452 0.4452 2.8060 2.8060 2.8060 2.8060 3.6962 3.6962 3.6962 3.6962 6.3442 6.3442 6.3442 6.3442 7.2296 7.2296 7.2296 7.2296 8.0673 8.0673 k = 0.0000 0.5000 0.1740 ( 10320 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2312 -48.2312 -48.2312 -48.2312 -38.6020 -38.6020 -38.6020 -38.6020 -38.3143 -38.3143 -38.3143 -38.3143 -38.3137 -38.3137 -38.3137 -38.3137 -20.2731 -20.2731 -20.2731 -20.2731 -20.0978 -20.0978 -20.0978 -20.0978 -20.0911 -20.0911 -20.0911 -20.0911 -4.3549 -4.3549 -4.3549 -4.3549 0.4242 0.4242 0.4242 0.4242 2.8628 2.8628 2.8628 2.8628 3.7000 3.7000 3.7000 3.7000 6.2649 6.2649 6.2649 6.2649 7.2139 7.2139 7.2139 7.2139 8.0466 8.0466 k = 0.0000 0.5000 0.1885 ( 10318 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2312 -48.2312 -48.2312 -48.2312 -38.6020 -38.6020 -38.6020 -38.6020 -38.3143 -38.3143 -38.3143 -38.3143 -38.3137 -38.3137 -38.3137 -38.3137 -20.2731 -20.2731 -20.2731 -20.2731 -20.0978 -20.0978 -20.0978 -20.0978 -20.0911 -20.0911 -20.0911 -20.0911 -4.3540 -4.3540 -4.3540 -4.3540 0.4046 0.4046 0.4046 0.4046 2.9183 2.9183 2.9183 2.9183 3.7043 3.7043 3.7043 3.7043 6.1854 6.1854 6.1854 6.1854 7.2043 7.2043 7.2043 7.2043 8.0272 8.0272 k = 0.0000 0.5000 0.2030 ( 10326 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2312 -48.2312 -48.2312 -48.2312 -38.6020 -38.6020 -38.6020 -38.6020 -38.3143 -38.3143 -38.3143 -38.3143 -38.3137 -38.3137 -38.3137 -38.3137 -20.2731 -20.2731 -20.2731 -20.2731 -20.0978 -20.0978 -20.0978 -20.0978 -20.0911 -20.0911 -20.0911 -20.0911 -4.3532 -4.3532 -4.3532 -4.3532 0.3866 0.3866 0.3866 0.3866 2.9713 2.9713 2.9713 2.9713 3.7089 3.7089 3.7089 3.7089 6.1084 6.1084 6.1084 6.1084 7.1992 7.1992 7.1992 7.1992 8.0093 8.0093 k = 0.0000 0.5000 0.2175 ( 10322 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2312 -48.2312 -48.2312 -48.2312 -38.6020 -38.6020 -38.6020 -38.6020 -38.3143 -38.3143 -38.3143 -38.3143 -38.3137 -38.3137 -38.3137 -38.3137 -20.2731 -20.2731 -20.2731 -20.2731 -20.0978 -20.0978 -20.0978 -20.0978 -20.0911 -20.0911 -20.0911 -20.0911 -4.3525 -4.3525 -4.3525 -4.3525 0.3705 0.3705 0.3705 0.3705 3.0205 3.0205 3.0205 3.0205 3.7139 3.7139 3.7139 3.7139 6.0361 6.0361 6.0361 6.0361 7.1971 7.1971 7.1971 7.1971 7.9933 7.9933 k = 0.0000 0.5000 0.2320 ( 10314 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2312 -48.2312 -48.2312 -48.2312 -38.6020 -38.6020 -38.6020 -38.6020 -38.3143 -38.3143 -38.3143 -38.3143 -38.3137 -38.3137 -38.3137 -38.3137 -20.2731 -20.2731 -20.2731 -20.2731 -20.0978 -20.0978 -20.0978 -20.0978 -20.0911 -20.0911 -20.0911 -20.0911 -4.3518 -4.3518 -4.3518 -4.3518 0.3564 0.3564 0.3564 0.3564 3.0647 3.0647 3.0647 3.0647 3.7190 3.7190 3.7190 3.7190 5.9707 5.9707 5.9707 5.9707 7.1970 7.1970 7.1970 7.1970 7.9794 7.9794 k = 0.0000 0.5000 0.2465 ( 10340 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2312 -48.2312 -48.2312 -48.2312 -38.6020 -38.6020 -38.6020 -38.6020 -38.3144 -38.3144 -38.3144 -38.3144 -38.3137 -38.3137 -38.3137 -38.3137 -20.2731 -20.2731 -20.2731 -20.2731 -20.0978 -20.0978 -20.0978 -20.0978 -20.0911 -20.0911 -20.0911 -20.0911 -4.3513 -4.3513 -4.3513 -4.3513 0.3447 0.3447 0.3447 0.3447 3.1026 3.1026 3.1026 3.1026 3.7240 3.7240 3.7240 3.7240 5.9140 5.9140 5.9140 5.9140 7.1979 7.1979 7.1979 7.1979 7.9677 7.9677 k = 0.0000 0.5000 0.2610 ( 10340 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2312 -48.2312 -48.2312 -48.2312 -38.6020 -38.6020 -38.6020 -38.6020 -38.3144 -38.3144 -38.3144 -38.3144 -38.3137 -38.3137 -38.3137 -38.3137 -20.2731 -20.2731 -20.2731 -20.2731 -20.0978 -20.0978 -20.0978 -20.0978 -20.0911 -20.0911 -20.0911 -20.0911 -4.3508 -4.3508 -4.3508 -4.3508 0.3354 0.3354 0.3354 0.3354 3.1333 3.1333 3.1333 3.1333 3.7286 3.7286 3.7286 3.7286 5.8679 5.8679 5.8679 5.8679 7.1993 7.1993 7.1993 7.1993 7.9585 7.9585 k = 0.0000 0.5000 0.2755 ( 10332 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2312 -48.2312 -48.2312 -48.2312 -38.6020 -38.6020 -38.6020 -38.6020 -38.3143 -38.3143 -38.3143 -38.3143 -38.3137 -38.3137 -38.3137 -38.3137 -20.2731 -20.2731 -20.2731 -20.2731 -20.0978 -20.0978 -20.0978 -20.0978 -20.0911 -20.0911 -20.0911 -20.0911 -4.3505 -4.3505 -4.3505 -4.3505 0.3287 0.3287 0.3287 0.3287 3.1558 3.1558 3.1558 3.1558 3.7323 3.7323 3.7323 3.7323 5.8337 5.8337 5.8337 5.8337 7.2006 7.2006 7.2006 7.2006 7.9518 7.9518 k = 0.0000 0.5000 0.2900 ( 10332 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2312 -48.2312 -48.2312 -48.2312 -38.6020 -38.6020 -38.6020 -38.6020 -38.3143 -38.3143 -38.3143 -38.3143 -38.3137 -38.3137 -38.3137 -38.3137 -20.2731 -20.2731 -20.2731 -20.2731 -20.0978 -20.0978 -20.0978 -20.0978 -20.0911 -20.0911 -20.0911 -20.0911 -4.3503 -4.3503 -4.3503 -4.3503 0.3247 0.3247 0.3247 0.3247 3.1696 3.1696 3.1696 3.1696 3.7347 3.7347 3.7347 3.7347 5.8127 5.8127 5.8127 5.8127 7.2016 7.2016 7.2016 7.2016 7.9478 7.9478 k = 0.0000 0.5000 0.3045 ( 10336 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2312 -48.2312 -48.2312 -48.2312 -38.6020 -38.6020 -38.6020 -38.6020 -38.3143 -38.3143 -38.3143 -38.3143 -38.3137 -38.3137 -38.3137 -38.3137 -20.2731 -20.2731 -20.2731 -20.2731 -20.0978 -20.0978 -20.0978 -20.0978 -20.0911 -20.0911 -20.0911 -20.0911 -4.3502 -4.3502 -4.3502 -4.3502 0.3233 0.3233 0.3233 0.3233 3.1742 3.1742 3.1742 3.1742 3.7356 3.7356 3.7356 3.7356 5.8056 5.8056 5.8056 5.8056 7.2019 7.2019 7.2019 7.2019 7.9465 7.9465 k = 0.5000 0.5000-0.0000 ( 10304 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2311 -48.2311 -48.2311 -48.2311 -38.6021 -38.6021 -38.6021 -38.6021 -38.3179 -38.3179 -38.3179 -38.3179 -38.3101 -38.3101 -38.3101 -38.3101 -20.2735 -20.2735 -20.2735 -20.2735 -20.0981 -20.0981 -20.0981 -20.0981 -20.0916 -20.0916 -20.0916 -20.0916 -4.0084 -4.0084 -4.0084 -4.0084 0.5599 0.5599 0.5599 0.5599 2.2776 2.2776 2.2776 2.2776 2.5360 2.5360 2.5360 2.5360 5.2103 5.2103 5.2103 5.2103 5.9200 5.9200 5.9200 5.9200 10.9725 10.9725 k = 0.5000 0.5000 0.0145 ( 10304 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2311 -48.2311 -48.2311 -48.2311 -38.6021 -38.6021 -38.6021 -38.6021 -38.3179 -38.3179 -38.3179 -38.3179 -38.3101 -38.3101 -38.3101 -38.3101 -20.2735 -20.2735 -20.2735 -20.2735 -20.0981 -20.0981 -20.0981 -20.0981 -20.0916 -20.0916 -20.0916 -20.0916 -4.0084 -4.0084 -4.0084 -4.0084 0.5605 0.5605 0.5605 0.5605 2.2760 2.2760 2.2760 2.2760 2.5344 2.5344 2.5344 2.5344 5.2146 5.2146 5.2146 5.2146 5.9252 5.9252 5.9252 5.9252 10.9351 10.9351 k = 0.5000 0.5000 0.0290 ( 10308 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2311 -48.2311 -48.2311 -48.2311 -38.6021 -38.6021 -38.6021 -38.6021 -38.3179 -38.3179 -38.3179 -38.3179 -38.3101 -38.3101 -38.3101 -38.3101 -20.2735 -20.2735 -20.2735 -20.2735 -20.0981 -20.0981 -20.0981 -20.0981 -20.0916 -20.0916 -20.0916 -20.0916 -4.0083 -4.0083 -4.0083 -4.0083 0.5620 0.5620 0.5620 0.5620 2.2712 2.2712 2.2712 2.2712 2.5294 2.5294 2.5294 2.5294 5.2275 5.2275 5.2275 5.2275 5.9407 5.9407 5.9407 5.9407 10.8361 10.8361 k = 0.5000 0.5000 0.0435 ( 10316 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2311 -48.2311 -48.2311 -48.2311 -38.6021 -38.6021 -38.6021 -38.6021 -38.3179 -38.3179 -38.3179 -38.3179 -38.3101 -38.3101 -38.3101 -38.3101 -20.2735 -20.2735 -20.2735 -20.2735 -20.0981 -20.0981 -20.0981 -20.0981 -20.0916 -20.0916 -20.0916 -20.0916 -4.0081 -4.0081 -4.0081 -4.0081 0.5646 0.5646 0.5646 0.5646 2.2634 2.2634 2.2634 2.2634 2.5212 2.5212 2.5212 2.5212 5.2487 5.2487 5.2487 5.2487 5.9664 5.9664 5.9664 5.9664 10.6999 10.6999 k = 0.5000 0.5000 0.0580 ( 10324 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2311 -48.2311 -48.2311 -48.2311 -38.6022 -38.6022 -38.6022 -38.6022 -38.3179 -38.3179 -38.3179 -38.3179 -38.3101 -38.3101 -38.3101 -38.3101 -20.2735 -20.2735 -20.2735 -20.2735 -20.0982 -20.0982 -20.0982 -20.0982 -20.0916 -20.0916 -20.0916 -20.0916 -4.0079 -4.0079 -4.0079 -4.0079 0.5681 0.5681 0.5681 0.5681 2.2527 2.2527 2.2527 2.2527 2.5103 2.5103 2.5103 2.5103 5.2781 5.2781 5.2781 5.2781 6.0021 6.0021 6.0021 6.0021 10.5442 10.5442 k = 0.5000 0.5000 0.0725 ( 10324 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2311 -48.2311 -48.2311 -48.2311 -38.6022 -38.6022 -38.6022 -38.6022 -38.3179 -38.3179 -38.3179 -38.3179 -38.3101 -38.3101 -38.3101 -38.3101 -20.2735 -20.2735 -20.2735 -20.2735 -20.0982 -20.0982 -20.0982 -20.0982 -20.0916 -20.0916 -20.0916 -20.0916 -4.0076 -4.0076 -4.0076 -4.0076 0.5725 0.5725 0.5725 0.5725 2.2394 2.2394 2.2394 2.2394 2.4968 2.4968 2.4968 2.4968 5.3150 5.3150 5.3150 5.3150 6.0474 6.0474 6.0474 6.0474 10.3790 10.3790 k = 0.5000 0.5000 0.0870 ( 10316 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2311 -48.2311 -48.2311 -48.2311 -38.6021 -38.6021 -38.6021 -38.6021 -38.3179 -38.3179 -38.3179 -38.3179 -38.3101 -38.3101 -38.3101 -38.3101 -20.2735 -20.2735 -20.2735 -20.2735 -20.0982 -20.0982 -20.0982 -20.0982 -20.0916 -20.0916 -20.0916 -20.0916 -4.0073 -4.0073 -4.0073 -4.0073 0.5778 0.5778 0.5778 0.5778 2.2238 2.2238 2.2238 2.2238 2.4812 2.4812 2.4812 2.4812 5.3591 5.3591 5.3591 5.3591 6.1020 6.1020 6.1020 6.1020 10.2099 10.2099 k = 0.5000 0.5000 0.1015 ( 10316 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2311 -48.2311 -48.2311 -48.2311 -38.6021 -38.6021 -38.6021 -38.6021 -38.3179 -38.3179 -38.3179 -38.3179 -38.3101 -38.3101 -38.3101 -38.3101 -20.2735 -20.2735 -20.2735 -20.2735 -20.0981 -20.0981 -20.0981 -20.0981 -20.0916 -20.0916 -20.0916 -20.0916 -4.0069 -4.0069 -4.0069 -4.0069 0.5838 0.5838 0.5838 0.5838 2.2064 2.2064 2.2064 2.2064 2.4639 2.4639 2.4639 2.4639 5.4097 5.4097 5.4097 5.4097 6.1655 6.1655 6.1655 6.1655 10.0401 10.0401 k = 0.5000 0.5000 0.1160 ( 10308 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2311 -48.2311 -48.2311 -48.2311 -38.6021 -38.6021 -38.6021 -38.6021 -38.3179 -38.3179 -38.3179 -38.3179 -38.3101 -38.3101 -38.3101 -38.3101 -20.2735 -20.2735 -20.2735 -20.2735 -20.0981 -20.0981 -20.0981 -20.0981 -20.0916 -20.0916 -20.0916 -20.0916 -4.0065 -4.0065 -4.0065 -4.0065 0.5904 0.5904 0.5904 0.5904 2.1874 2.1874 2.1874 2.1874 2.4456 2.4456 2.4456 2.4456 5.4661 5.4661 5.4661 5.4661 6.2374 6.2374 6.2374 6.2374 9.8715 9.8715 k = 0.5000 0.5000 0.1305 ( 10328 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2311 -48.2311 -48.2311 -48.2311 -38.6022 -38.6022 -38.6022 -38.6022 -38.3179 -38.3179 -38.3179 -38.3179 -38.3101 -38.3101 -38.3101 -38.3101 -20.2735 -20.2735 -20.2735 -20.2735 -20.0982 -20.0982 -20.0982 -20.0982 -20.0916 -20.0916 -20.0916 -20.0916 -4.0061 -4.0061 -4.0061 -4.0061 0.5976 0.5976 0.5976 0.5976 2.1674 2.1674 2.1674 2.1674 2.4265 2.4265 2.4265 2.4265 5.5276 5.5276 5.5276 5.5276 6.3174 6.3174 6.3174 6.3174 9.7055 9.7055 k = 0.5000 0.5000 0.1450 ( 10304 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2311 -48.2311 -48.2311 -48.2311 -38.6021 -38.6021 -38.6021 -38.6021 -38.3179 -38.3179 -38.3179 -38.3179 -38.3101 -38.3101 -38.3101 -38.3101 -20.2735 -20.2735 -20.2735 -20.2735 -20.0981 -20.0981 -20.0981 -20.0981 -20.0916 -20.0916 -20.0916 -20.0916 -4.0057 -4.0057 -4.0057 -4.0057 0.6052 0.6052 0.6052 0.6052 2.1467 2.1467 2.1467 2.1467 2.4072 2.4072 2.4072 2.4072 5.5932 5.5932 5.5932 5.5932 6.4049 6.4049 6.4049 6.4049 9.5431 9.5431 k = 0.5000 0.5000 0.1595 ( 10320 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2311 -48.2311 -48.2311 -48.2311 -38.6021 -38.6021 -38.6021 -38.6021 -38.3179 -38.3179 -38.3179 -38.3179 -38.3101 -38.3101 -38.3101 -38.3101 -20.2735 -20.2735 -20.2735 -20.2735 -20.0982 -20.0982 -20.0982 -20.0982 -20.0916 -20.0916 -20.0916 -20.0916 -4.0052 -4.0052 -4.0052 -4.0052 0.6130 0.6130 0.6130 0.6130 2.1259 2.1259 2.1259 2.1259 2.3882 2.3882 2.3882 2.3882 5.6620 5.6620 5.6620 5.6620 6.4996 6.4996 6.4996 6.4996 9.3848 9.3848 k = 0.5000 0.5000 0.1740 ( 10312 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2311 -48.2311 -48.2311 -48.2311 -38.6021 -38.6021 -38.6021 -38.6021 -38.3179 -38.3179 -38.3179 -38.3179 -38.3101 -38.3101 -38.3101 -38.3101 -20.2735 -20.2735 -20.2735 -20.2735 -20.0981 -20.0981 -20.0981 -20.0981 -20.0916 -20.0916 -20.0916 -20.0916 -4.0048 -4.0048 -4.0048 -4.0048 0.6209 0.6209 0.6209 0.6209 2.1053 2.1053 2.1053 2.1053 2.3699 2.3699 2.3699 2.3699 5.7329 5.7329 5.7329 5.7329 6.6009 6.6009 6.6009 6.6009 9.2302 9.2302 k = 0.5000 0.5000 0.1885 ( 10312 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2311 -48.2311 -48.2311 -48.2311 -38.6021 -38.6021 -38.6021 -38.6021 -38.3179 -38.3179 -38.3179 -38.3179 -38.3101 -38.3101 -38.3101 -38.3101 -20.2735 -20.2735 -20.2735 -20.2735 -20.0981 -20.0981 -20.0981 -20.0981 -20.0916 -20.0916 -20.0916 -20.0916 -4.0044 -4.0044 -4.0044 -4.0044 0.6287 0.6287 0.6287 0.6287 2.0853 2.0853 2.0853 2.0853 2.3525 2.3525 2.3525 2.3525 5.8045 5.8045 5.8045 5.8045 6.7085 6.7085 6.7085 6.7085 9.0763 9.0763 k = 0.5000 0.5000 0.2030 ( 10304 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2311 -48.2311 -48.2311 -48.2311 -38.6021 -38.6021 -38.6021 -38.6021 -38.3179 -38.3179 -38.3179 -38.3179 -38.3101 -38.3101 -38.3101 -38.3101 -20.2735 -20.2735 -20.2735 -20.2735 -20.0981 -20.0981 -20.0981 -20.0981 -20.0916 -20.0916 -20.0916 -20.0916 -4.0040 -4.0040 -4.0040 -4.0040 0.6362 0.6362 0.6362 0.6362 2.0665 2.0665 2.0665 2.0665 2.3365 2.3365 2.3365 2.3365 5.8754 5.8754 5.8754 5.8754 6.8219 6.8219 6.8219 6.8219 8.9180 8.9180 k = 0.5000 0.5000 0.2175 ( 10296 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2311 -48.2311 -48.2311 -48.2311 -38.6021 -38.6021 -38.6021 -38.6021 -38.3179 -38.3179 -38.3179 -38.3179 -38.3101 -38.3101 -38.3101 -38.3101 -20.2735 -20.2735 -20.2735 -20.2735 -20.0981 -20.0981 -20.0981 -20.0981 -20.0916 -20.0916 -20.0916 -20.0916 -4.0036 -4.0036 -4.0036 -4.0036 0.6432 0.6432 0.6432 0.6432 2.0493 2.0493 2.0493 2.0493 2.3221 2.3221 2.3221 2.3221 5.9439 5.9439 5.9439 5.9439 6.9407 6.9407 6.9407 6.9407 8.7545 8.7545 k = 0.5000 0.5000 0.2320 ( 10292 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2311 -48.2311 -48.2311 -48.2311 -38.6021 -38.6021 -38.6021 -38.6021 -38.3178 -38.3178 -38.3178 -38.3178 -38.3101 -38.3101 -38.3101 -38.3101 -20.2734 -20.2734 -20.2734 -20.2734 -20.0981 -20.0981 -20.0981 -20.0981 -20.0916 -20.0916 -20.0916 -20.0916 -4.0033 -4.0033 -4.0033 -4.0033 0.6495 0.6495 0.6495 0.6495 2.0339 2.0339 2.0339 2.0339 2.3095 2.3095 2.3095 2.3095 6.0080 6.0080 6.0080 6.0080 7.0642 7.0642 7.0642 7.0642 8.5900 8.5900 k = 0.5000 0.5000 0.2465 ( 10284 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2311 -48.2311 -48.2311 -48.2311 -38.6021 -38.6021 -38.6021 -38.6021 -38.3178 -38.3178 -38.3178 -38.3178 -38.3100 -38.3100 -38.3100 -38.3100 -20.2734 -20.2734 -20.2734 -20.2734 -20.0981 -20.0981 -20.0981 -20.0981 -20.0916 -20.0916 -20.0916 -20.0916 -4.0030 -4.0030 -4.0030 -4.0030 0.6550 0.6550 0.6550 0.6550 2.0208 2.0208 2.0208 2.0208 2.2989 2.2989 2.2989 2.2989 6.0654 6.0654 6.0654 6.0654 7.1919 7.1919 7.1919 7.1919 8.4277 8.4277 k = 0.5000 0.5000 0.2610 ( 10300 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2311 -48.2311 -48.2311 -48.2311 -38.6021 -38.6021 -38.6021 -38.6021 -38.3179 -38.3179 -38.3179 -38.3179 -38.3101 -38.3101 -38.3101 -38.3101 -20.2735 -20.2735 -20.2735 -20.2735 -20.0981 -20.0981 -20.0981 -20.0981 -20.0916 -20.0916 -20.0916 -20.0916 -4.0028 -4.0028 -4.0028 -4.0028 0.6594 0.6594 0.6594 0.6594 2.0103 2.0103 2.0103 2.0103 2.2906 2.2906 2.2906 2.2906 6.1137 6.1137 6.1137 6.1137 7.3224 7.3224 7.3224 7.3224 8.2699 8.2699 k = 0.5000 0.5000 0.2755 ( 10292 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2311 -48.2311 -48.2311 -48.2311 -38.6021 -38.6021 -38.6021 -38.6021 -38.3179 -38.3179 -38.3179 -38.3179 -38.3101 -38.3101 -38.3101 -38.3101 -20.2735 -20.2735 -20.2735 -20.2735 -20.0981 -20.0981 -20.0981 -20.0981 -20.0916 -20.0916 -20.0916 -20.0916 -4.0026 -4.0026 -4.0026 -4.0026 0.6627 0.6627 0.6627 0.6627 2.0026 2.0026 2.0026 2.0026 2.2845 2.2845 2.2845 2.2845 6.1504 6.1504 6.1504 6.1504 7.4528 7.4528 7.4528 7.4528 8.1199 8.1199 k = 0.5000 0.5000 0.2900 ( 10260 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2311 -48.2311 -48.2311 -48.2311 -38.6020 -38.6020 -38.6020 -38.6020 -38.3178 -38.3178 -38.3178 -38.3178 -38.3100 -38.3100 -38.3100 -38.3100 -20.2734 -20.2734 -20.2734 -20.2734 -20.0981 -20.0981 -20.0981 -20.0981 -20.0915 -20.0915 -20.0915 -20.0915 -4.0025 -4.0025 -4.0025 -4.0025 0.6647 0.6647 0.6647 0.6647 1.9979 1.9979 1.9979 1.9979 2.2809 2.2809 2.2809 2.2809 6.1735 6.1735 6.1735 6.1735 7.5730 7.5730 7.5730 7.5730 7.9879 7.9879 k = 0.5000 0.5000 0.3045 ( 10240 PWs) bands (ev): -71.6555 -71.6555 -71.6555 -71.6555 -48.2311 -48.2311 -48.2311 -48.2311 -38.6020 -38.6020 -38.6020 -38.6020 -38.3178 -38.3178 -38.3178 -38.3178 -38.3100 -38.3100 -38.3100 -38.3100 -20.2734 -20.2734 -20.2734 -20.2734 -20.0980 -20.0980 -20.0980 -20.0980 -20.0915 -20.0915 -20.0915 -20.0915 -4.0025 -4.0025 -4.0025 -4.0025 0.6654 0.6654 0.6654 0.6654 1.9964 1.9964 1.9964 1.9964 2.2797 2.2797 2.2797 2.2797 6.1813 6.1813 6.1813 6.1813 7.6362 7.6362 7.6362 7.6362 7.9208 7.9208 Writing output data file NaMgSb.save init_run : 0.36s CPU 0.50s WALL ( 1 calls) electrons : 206.46s CPU 209.11s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 206.46s CPU 209.10s 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 0.12s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.10s CPU 0.14s WALL ( 304 calls) cegterg : 187.22s CPU 188.95s WALL ( 345 calls) Called by sum_band: Called by *egterg: h_psi : 114.09s CPU 115.46s WALL ( 5723 calls) s_psi : 4.73s CPU 4.60s WALL ( 5723 calls) g_psi : 0.44s CPU 0.42s WALL ( 5074 calls) cdiaghg : 51.22s CPU 51.59s WALL ( 5378 calls) cegterg:over : 10.23s CPU 10.32s WALL ( 5074 calls) cegterg:upda : 12.50s CPU 12.78s WALL ( 5074 calls) cegterg:last : 5.07s CPU 5.09s WALL ( 862 calls) cdiaghg:chol : 2.89s CPU 3.02s WALL ( 5378 calls) cdiaghg:inve : 2.10s CPU 2.09s WALL ( 5378 calls) cdiaghg:para : 3.85s CPU 3.63s WALL ( 10756 calls) Called by h_psi: h_psi:vloc : 102.87s CPU 104.11s WALL ( 5723 calls) h_psi:vnl : 10.76s CPU 10.90s WALL ( 5723 calls) add_vuspsi : 4.93s CPU 5.13s WALL ( 5723 calls) General routines calbec : 5.82s CPU 5.75s WALL ( 5723 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 96.62s CPU 97.87s WALL ( 589064 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.31s CPU 0.52s WALL ( 608 calls) Parallel routines fft_scatter : 33.00s CPU 33.27s WALL ( 589087 calls) PWSCF : 3m56.29s CPU 4m10.55s WALL This run was terminated on: 20:12:15 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=