Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:55: 4 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: ./RbNaS.save/ file Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 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 56 46 13 3076 2302 351 Max 57 47 14 3085 2325 356 Sum 2025 1685 481 110857 83343 12695 bravais-lattice index = 14 lattice parameter (alat) = 8.8742 a.u. unit-cell volume = 1124.9081 (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 = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.874153 celldm(2)= 1.000000 celldm(3)= 1.609668 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 1.609668 ) 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 0.621246 ) PseudoPot. # 1 for S read from file: /users/gautes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for 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. # 3 for Rb read from file: /users/gautes/Pseudo/Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 948b8f0a9070089a35782939cf30e963 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 1219 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) Na 9.00 22.98980 Na( 1.00) Rb 9.00 85.46780 Rb( 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 0.0147916), wk = 0.0032895 k( 122) = ( 0.0000000 0.0000000 0.0295832), wk = 0.0032895 k( 123) = ( 0.0000000 0.0000000 0.0443747), wk = 0.0032895 k( 124) = ( 0.0000000 0.0000000 0.0591663), wk = 0.0032895 k( 125) = ( 0.0000000 0.0000000 0.0739579), wk = 0.0032895 k( 126) = ( 0.0000000 0.0000000 0.0887495), wk = 0.0032895 k( 127) = ( 0.0000000 0.0000000 0.1035410), wk = 0.0032895 k( 128) = ( 0.0000000 0.0000000 0.1183326), wk = 0.0032895 k( 129) = ( 0.0000000 0.0000000 0.1331242), wk = 0.0032895 k( 130) = ( 0.0000000 0.0000000 0.1479158), wk = 0.0032895 k( 131) = ( 0.0000000 0.0000000 0.1627073), wk = 0.0032895 k( 132) = ( 0.0000000 0.0000000 0.1774989), wk = 0.0032895 k( 133) = ( 0.0000000 0.0000000 0.1922905), wk = 0.0032895 k( 134) = ( 0.0000000 0.0000000 0.2070821), wk = 0.0032895 k( 135) = ( 0.0000000 0.0000000 0.2218736), wk = 0.0032895 k( 136) = ( 0.0000000 0.0000000 0.2366652), wk = 0.0032895 k( 137) = ( 0.0000000 0.0000000 0.2514568), wk = 0.0032895 k( 138) = ( 0.0000000 0.0000000 0.2662484), wk = 0.0032895 k( 139) = ( 0.0000000 0.0000000 0.2810399), wk = 0.0032895 k( 140) = ( 0.0000000 0.0000000 0.2958315), wk = 0.0032895 k( 141) = ( 0.0000000 0.0000000 0.3106231), wk = 0.0032895 k( 142) = ( 0.0000000 0.0000000 0.3106231), wk = 0.0032895 k( 143) = ( 0.0000000 0.0147059 0.3106231), wk = 0.0032895 k( 144) = ( 0.0000000 0.0294118 0.3106231), wk = 0.0032895 k( 145) = ( 0.0000000 0.0441177 0.3106231), wk = 0.0032895 k( 146) = ( 0.0000000 0.0588235 0.3106231), wk = 0.0032895 k( 147) = ( 0.0000000 0.0735294 0.3106231), wk = 0.0032895 k( 148) = ( 0.0000000 0.0882353 0.3106231), wk = 0.0032895 k( 149) = ( 0.0000000 0.1029412 0.3106231), wk = 0.0032895 k( 150) = ( 0.0000000 0.1176471 0.3106231), wk = 0.0032895 k( 151) = ( 0.0000000 0.1323529 0.3106231), wk = 0.0032895 k( 152) = ( 0.0000000 0.1470588 0.3106231), wk = 0.0032895 k( 153) = ( 0.0000000 0.1617647 0.3106231), wk = 0.0032895 k( 154) = ( 0.0000000 0.1764706 0.3106231), wk = 0.0032895 k( 155) = ( 0.0000000 0.1911765 0.3106231), wk = 0.0032895 k( 156) = ( 0.0000000 0.2058823 0.3106231), wk = 0.0032895 k( 157) = ( 0.0000000 0.2205882 0.3106231), wk = 0.0032895 k( 158) = ( 0.0000000 0.2352941 0.3106231), wk = 0.0032895 k( 159) = ( 0.0000000 0.2500000 0.3106231), wk = 0.0032895 k( 160) = ( 0.0000000 0.2647059 0.3106231), wk = 0.0032895 k( 161) = ( 0.0000000 0.2794118 0.3106231), wk = 0.0032895 k( 162) = ( 0.0000000 0.2941177 0.3106231), wk = 0.0032895 k( 163) = ( 0.0000000 0.3088235 0.3106231), wk = 0.0032895 k( 164) = ( 0.0000000 0.3235294 0.3106231), wk = 0.0032895 k( 165) = ( 0.0000000 0.3382353 0.3106231), wk = 0.0032895 k( 166) = ( 0.0000000 0.3529412 0.3106231), wk = 0.0032895 k( 167) = ( 0.0000000 0.3676471 0.3106231), wk = 0.0032895 k( 168) = ( 0.0000000 0.3823529 0.3106231), wk = 0.0032895 k( 169) = ( 0.0000000 0.3970588 0.3106231), wk = 0.0032895 k( 170) = ( 0.0000000 0.4117647 0.3106231), wk = 0.0032895 k( 171) = ( 0.0000000 0.4264706 0.3106231), wk = 0.0032895 k( 172) = ( 0.0000000 0.4411765 0.3106231), wk = 0.0032895 k( 173) = ( 0.0000000 0.4558823 0.3106231), wk = 0.0032895 k( 174) = ( 0.0000000 0.4705882 0.3106231), wk = 0.0032895 k( 175) = ( 0.0000000 0.4852941 0.3106231), wk = 0.0032895 k( 176) = ( 0.0000000 0.5000000 0.3106231), wk = 0.0032895 k( 177) = ( 0.0000000 0.5000000 0.3106231), wk = 0.0032895 k( 178) = ( 0.0147059 0.5000000 0.3106231), wk = 0.0032895 k( 179) = ( 0.0294118 0.5000000 0.3106231), wk = 0.0032895 k( 180) = ( 0.0441177 0.5000000 0.3106231), wk = 0.0032895 k( 181) = ( 0.0588235 0.5000000 0.3106231), wk = 0.0032895 k( 182) = ( 0.0735294 0.5000000 0.3106231), wk = 0.0032895 k( 183) = ( 0.0882353 0.5000000 0.3106231), wk = 0.0032895 k( 184) = ( 0.1029412 0.5000000 0.3106231), wk = 0.0032895 k( 185) = ( 0.1176471 0.5000000 0.3106231), wk = 0.0032895 k( 186) = ( 0.1323529 0.5000000 0.3106231), wk = 0.0032895 k( 187) = ( 0.1470588 0.5000000 0.3106231), wk = 0.0032895 k( 188) = ( 0.1617647 0.5000000 0.3106231), wk = 0.0032895 k( 189) = ( 0.1764706 0.5000000 0.3106231), wk = 0.0032895 k( 190) = ( 0.1911765 0.5000000 0.3106231), wk = 0.0032895 k( 191) = ( 0.2058823 0.5000000 0.3106231), wk = 0.0032895 k( 192) = ( 0.2205882 0.5000000 0.3106231), wk = 0.0032895 k( 193) = ( 0.2352941 0.5000000 0.3106231), wk = 0.0032895 k( 194) = ( 0.2500000 0.5000000 0.3106231), wk = 0.0032895 k( 195) = ( 0.2647059 0.5000000 0.3106231), wk = 0.0032895 k( 196) = ( 0.2794118 0.5000000 0.3106231), wk = 0.0032895 k( 197) = ( 0.2941177 0.5000000 0.3106231), wk = 0.0032895 k( 198) = ( 0.3088235 0.5000000 0.3106231), wk = 0.0032895 k( 199) = ( 0.3235294 0.5000000 0.3106231), wk = 0.0032895 k( 200) = ( 0.3382353 0.5000000 0.3106231), wk = 0.0032895 k( 201) = ( 0.3529412 0.5000000 0.3106231), wk = 0.0032895 k( 202) = ( 0.3676471 0.5000000 0.3106231), wk = 0.0032895 k( 203) = ( 0.3823529 0.5000000 0.3106231), wk = 0.0032895 k( 204) = ( 0.3970588 0.5000000 0.3106231), wk = 0.0032895 k( 205) = ( 0.4117647 0.5000000 0.3106231), wk = 0.0032895 k( 206) = ( 0.4264706 0.5000000 0.3106231), wk = 0.0032895 k( 207) = ( 0.4411765 0.5000000 0.3106231), wk = 0.0032895 k( 208) = ( 0.4558823 0.5000000 0.3106231), wk = 0.0032895 k( 209) = ( 0.4705882 0.5000000 0.3106231), wk = 0.0032895 k( 210) = ( 0.4852941 0.5000000 0.3106231), wk = 0.0032895 k( 211) = ( 0.5000000 0.5000000 0.3106231), wk = 0.0032895 k( 212) = ( 0.5000000 0.5000000 0.3106231), wk = 0.0032895 k( 213) = ( 0.4895833 0.4895833 0.3106231), wk = 0.0032895 k( 214) = ( 0.4791667 0.4791667 0.3106231), wk = 0.0032895 k( 215) = ( 0.4687500 0.4687500 0.3106231), wk = 0.0032895 k( 216) = ( 0.4583333 0.4583333 0.3106231), wk = 0.0032895 k( 217) = ( 0.4479167 0.4479167 0.3106231), wk = 0.0032895 k( 218) = ( 0.4375000 0.4375000 0.3106231), wk = 0.0032895 k( 219) = ( 0.4270833 0.4270833 0.3106231), wk = 0.0032895 k( 220) = ( 0.4166667 0.4166667 0.3106231), wk = 0.0032895 k( 221) = ( 0.4062500 0.4062500 0.3106231), wk = 0.0032895 k( 222) = ( 0.3958333 0.3958333 0.3106231), wk = 0.0032895 k( 223) = ( 0.3854167 0.3854167 0.3106231), wk = 0.0032895 k( 224) = ( 0.3750000 0.3750000 0.3106231), wk = 0.0032895 k( 225) = ( 0.3645833 0.3645833 0.3106231), wk = 0.0032895 k( 226) = ( 0.3541667 0.3541667 0.3106231), wk = 0.0032895 k( 227) = ( 0.3437500 0.3437500 0.3106231), wk = 0.0032895 k( 228) = ( 0.3333333 0.3333333 0.3106231), wk = 0.0032895 k( 229) = ( 0.3229167 0.3229167 0.3106231), wk = 0.0032895 k( 230) = ( 0.3125000 0.3125000 0.3106231), wk = 0.0032895 k( 231) = ( 0.3020833 0.3020833 0.3106231), wk = 0.0032895 k( 232) = ( 0.2916667 0.2916667 0.3106231), wk = 0.0032895 k( 233) = ( 0.2812500 0.2812500 0.3106231), wk = 0.0032895 k( 234) = ( 0.2708333 0.2708333 0.3106231), wk = 0.0032895 k( 235) = ( 0.2604167 0.2604167 0.3106231), wk = 0.0032895 k( 236) = ( 0.2500000 0.2500000 0.3106231), wk = 0.0032895 k( 237) = ( 0.2395833 0.2395833 0.3106231), wk = 0.0032895 k( 238) = ( 0.2291667 0.2291667 0.3106231), wk = 0.0032895 k( 239) = ( 0.2187500 0.2187500 0.3106231), wk = 0.0032895 k( 240) = ( 0.2083333 0.2083333 0.3106231), wk = 0.0032895 k( 241) = ( 0.1979167 0.1979167 0.3106231), wk = 0.0032895 k( 242) = ( 0.1875000 0.1875000 0.3106231), wk = 0.0032895 k( 243) = ( 0.1770833 0.1770833 0.3106231), wk = 0.0032895 k( 244) = ( 0.1666667 0.1666667 0.3106231), wk = 0.0032895 k( 245) = ( 0.1562500 0.1562500 0.3106231), wk = 0.0032895 k( 246) = ( 0.1458333 0.1458333 0.3106231), wk = 0.0032895 k( 247) = ( 0.1354167 0.1354167 0.3106231), wk = 0.0032895 k( 248) = ( 0.1250000 0.1250000 0.3106231), wk = 0.0032895 k( 249) = ( 0.1145833 0.1145833 0.3106231), wk = 0.0032895 k( 250) = ( 0.1041667 0.1041667 0.3106231), wk = 0.0032895 k( 251) = ( 0.0937500 0.0937500 0.3106231), wk = 0.0032895 k( 252) = ( 0.0833333 0.0833333 0.3106231), wk = 0.0032895 k( 253) = ( 0.0729167 0.0729167 0.3106231), wk = 0.0032895 k( 254) = ( 0.0625000 0.0625000 0.3106231), wk = 0.0032895 k( 255) = ( 0.0520833 0.0520833 0.3106231), wk = 0.0032895 k( 256) = ( 0.0416667 0.0416667 0.3106231), wk = 0.0032895 k( 257) = ( 0.0312500 0.0312500 0.3106231), wk = 0.0032895 k( 258) = ( 0.0208333 0.0208333 0.3106231), wk = 0.0032895 k( 259) = ( 0.0104167 0.0104167 0.3106231), wk = 0.0032895 k( 260) = ( 0.0000000 0.0000000 0.3106231), wk = 0.0032895 k( 261) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0032895 k( 262) = ( 0.0000000 0.5000000 0.0147916), wk = 0.0032895 k( 263) = ( 0.0000000 0.5000000 0.0295832), wk = 0.0032895 k( 264) = ( 0.0000000 0.5000000 0.0443747), wk = 0.0032895 k( 265) = ( 0.0000000 0.5000000 0.0591663), wk = 0.0032895 k( 266) = ( 0.0000000 0.5000000 0.0739579), wk = 0.0032895 k( 267) = ( 0.0000000 0.5000000 0.0887495), wk = 0.0032895 k( 268) = ( 0.0000000 0.5000000 0.1035410), wk = 0.0032895 k( 269) = ( 0.0000000 0.5000000 0.1183326), wk = 0.0032895 k( 270) = ( 0.0000000 0.5000000 0.1331242), wk = 0.0032895 k( 271) = ( 0.0000000 0.5000000 0.1479158), wk = 0.0032895 k( 272) = ( 0.0000000 0.5000000 0.1627073), wk = 0.0032895 k( 273) = ( 0.0000000 0.5000000 0.1774989), wk = 0.0032895 k( 274) = ( 0.0000000 0.5000000 0.1922905), wk = 0.0032895 k( 275) = ( 0.0000000 0.5000000 0.2070821), wk = 0.0032895 k( 276) = ( 0.0000000 0.5000000 0.2218736), wk = 0.0032895 k( 277) = ( 0.0000000 0.5000000 0.2366652), wk = 0.0032895 k( 278) = ( 0.0000000 0.5000000 0.2514568), wk = 0.0032895 k( 279) = ( 0.0000000 0.5000000 0.2662484), wk = 0.0032895 k( 280) = ( 0.0000000 0.5000000 0.2810399), wk = 0.0032895 k( 281) = ( 0.0000000 0.5000000 0.2958315), wk = 0.0032895 k( 282) = ( 0.0000000 0.5000000 0.3106231), wk = 0.0032895 k( 283) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032895 k( 284) = ( 0.5000000 0.5000000 0.0147916), wk = 0.0032895 k( 285) = ( 0.5000000 0.5000000 0.0295832), wk = 0.0032895 k( 286) = ( 0.5000000 0.5000000 0.0443747), wk = 0.0032895 k( 287) = ( 0.5000000 0.5000000 0.0591663), wk = 0.0032895 k( 288) = ( 0.5000000 0.5000000 0.0739579), wk = 0.0032895 k( 289) = ( 0.5000000 0.5000000 0.0887495), wk = 0.0032895 k( 290) = ( 0.5000000 0.5000000 0.1035410), wk = 0.0032895 k( 291) = ( 0.5000000 0.5000000 0.1183326), wk = 0.0032895 k( 292) = ( 0.5000000 0.5000000 0.1331242), wk = 0.0032895 k( 293) = ( 0.5000000 0.5000000 0.1479158), wk = 0.0032895 k( 294) = ( 0.5000000 0.5000000 0.1627073), wk = 0.0032895 k( 295) = ( 0.5000000 0.5000000 0.1774989), wk = 0.0032895 k( 296) = ( 0.5000000 0.5000000 0.1922905), wk = 0.0032895 k( 297) = ( 0.5000000 0.5000000 0.2070821), wk = 0.0032895 k( 298) = ( 0.5000000 0.5000000 0.2218736), wk = 0.0032895 k( 299) = ( 0.5000000 0.5000000 0.2366652), wk = 0.0032895 k( 300) = ( 0.5000000 0.5000000 0.2514568), wk = 0.0032895 k( 301) = ( 0.5000000 0.5000000 0.2662484), wk = 0.0032895 k( 302) = ( 0.5000000 0.5000000 0.2810399), wk = 0.0032895 k( 303) = ( 0.5000000 0.5000000 0.2958315), wk = 0.0032895 k( 304) = ( 0.5000000 0.5000000 0.3106231), 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: 110857 G-vectors FFT dimensions: ( 54, 54, 81) Smooth grid: 83343 G-vectors FFT dimensions: ( 48, 48, 75) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.53 Mb ( 602, 58) NL pseudopotentials 0.75 Mb ( 301, 164) Each V/rho on FFT grid 0.13 Mb ( 8748) Each G-vector array 0.02 Mb ( 3080) G-vector shells 0.01 Mb ( 1421) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.13 Mb ( 602, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.29 Mb ( 164, 2, 58) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./RbNaS.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.8 secs Computing kpt #: 2 total cpu time spent up to now is 5.0 secs Computing kpt #: 3 total cpu time spent up to now is 6.0 secs Computing kpt #: 4 total cpu time spent up to now is 7.0 secs Computing kpt #: 5 total cpu time spent up to now is 8.0 secs Computing kpt #: 6 total cpu time spent up to now is 8.9 secs Computing kpt #: 7 total cpu time spent up to now is 9.8 secs Computing kpt #: 8 total cpu time spent up to now is 10.8 secs Computing kpt #: 9 total cpu time spent up to now is 11.7 secs Computing kpt #: 10 total cpu time spent up to now is 12.7 secs Computing kpt #: 11 total cpu time spent up to now is 13.6 secs Computing kpt #: 12 total cpu time spent up to now is 14.5 secs Computing kpt #: 13 total cpu time spent up to now is 15.3 secs Computing kpt #: 14 total cpu time spent up to now is 16.1 secs Computing kpt #: 15 total cpu time spent up to now is 16.9 secs Computing kpt #: 16 total cpu time spent up to now is 17.7 secs Computing kpt #: 17 total cpu time spent up to now is 18.5 secs Computing kpt #: 18 total cpu time spent up to now is 19.3 secs Computing kpt #: 19 total cpu time spent up to now is 20.1 secs Computing kpt #: 20 total cpu time spent up to now is 20.8 secs Computing kpt #: 21 total cpu time spent up to now is 21.6 secs Computing kpt #: 22 total cpu time spent up to now is 22.4 secs Computing kpt #: 23 total cpu time spent up to now is 23.2 secs Computing kpt #: 24 total cpu time spent up to now is 23.9 secs Computing kpt #: 25 total cpu time spent up to now is 24.7 secs Computing kpt #: 26 total cpu time spent up to now is 25.5 secs Computing kpt #: 27 total cpu time spent up to now is 26.3 secs Computing kpt #: 28 total cpu time spent up to now is 27.1 secs Computing kpt #: 29 total cpu time spent up to now is 27.9 secs Computing kpt #: 30 total cpu time spent up to now is 28.7 secs Computing kpt #: 31 total cpu time spent up to now is 29.5 secs Computing kpt #: 32 total cpu time spent up to now is 30.2 secs Computing kpt #: 33 total cpu time spent up to now is 31.0 secs Computing kpt #: 34 total cpu time spent up to now is 31.8 secs Computing kpt #: 35 total cpu time spent up to now is 32.6 secs Computing kpt #: 36 total cpu time spent up to now is 33.4 secs Computing kpt #: 37 total cpu time spent up to now is 34.4 secs Computing kpt #: 38 total cpu time spent up to now is 35.3 secs Computing kpt #: 39 total cpu time spent up to now is 36.3 secs Computing kpt #: 40 total cpu time spent up to now is 37.2 secs Computing kpt #: 41 total cpu time spent up to now is 38.2 secs Computing kpt #: 42 total cpu time spent up to now is 39.1 secs Computing kpt #: 43 total cpu time spent up to now is 40.1 secs Computing kpt #: 44 total cpu time spent up to now is 41.0 secs Computing kpt #: 45 total cpu time spent up to now is 42.0 secs Computing kpt #: 46 total cpu time spent up to now is 43.0 secs Computing kpt #: 47 total cpu time spent up to now is 44.0 secs Computing kpt #: 48 total cpu time spent up to now is 44.9 secs Computing kpt #: 49 total cpu time spent up to now is 46.0 secs Computing kpt #: 50 total cpu time spent up to now is 47.3 secs Computing kpt #: 51 total cpu time spent up to now is 48.3 secs Computing kpt #: 52 total cpu time spent up to now is 49.3 secs Computing kpt #: 53 total cpu time spent up to now is 50.4 secs Computing kpt #: 54 total cpu time spent up to now is 51.3 secs Computing kpt #: 55 total cpu time spent up to now is 52.3 secs Computing kpt #: 56 total cpu time spent up to now is 53.3 secs Computing kpt #: 57 total cpu time spent up to now is 54.3 secs Computing kpt #: 58 total cpu time spent up to now is 55.3 secs Computing kpt #: 59 total cpu time spent up to now is 56.3 secs Computing kpt #: 60 total cpu time spent up to now is 57.3 secs Computing kpt #: 61 total cpu time spent up to now is 58.5 secs Computing kpt #: 62 total cpu time spent up to now is 59.5 secs Computing kpt #: 63 total cpu time spent up to now is 60.9 secs Computing kpt #: 64 total cpu time spent up to now is 62.2 secs Computing kpt #: 65 total cpu time spent up to now is 63.5 secs Computing kpt #: 66 total cpu time spent up to now is 65.7 secs Computing kpt #: 67 total cpu time spent up to now is 67.6 secs Computing kpt #: 68 total cpu time spent up to now is 69.6 secs Computing kpt #: 69 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 71.9 secs Computing kpt #: 70 total cpu time spent up to now is 73.0 secs Computing kpt #: 71 total cpu time spent up to now is 73.9 secs Computing kpt #: 72 total cpu time spent up to now is 75.6 secs Computing kpt #: 73 total cpu time spent up to now is 76.9 secs Computing kpt #: 74 total cpu time spent up to now is 78.2 secs Computing kpt #: 75 total cpu time spent up to now is 79.5 secs Computing kpt #: 76 total cpu time spent up to now is 80.8 secs Computing kpt #: 77 total cpu time spent up to now is 81.8 secs Computing kpt #: 78 total cpu time spent up to now is 82.9 secs Computing kpt #: 79 total cpu time spent up to now is 84.0 secs Computing kpt #: 80 total cpu time spent up to now is 85.1 secs Computing kpt #: 81 total cpu time spent up to now is 86.3 secs Computing kpt #: 82 total cpu time spent up to now is 87.7 secs Computing kpt #: 83 total cpu time spent up to now is 89.0 secs Computing kpt #: 84 total cpu time spent up to now is 90.0 secs Computing kpt #: 85 total cpu time spent up to now is 91.0 secs Computing kpt #: 86 total cpu time spent up to now is 91.9 secs Computing kpt #: 87 total cpu time spent up to now is 92.9 secs Computing kpt #: 88 total cpu time spent up to now is 93.8 secs Computing kpt #: 89 total cpu time spent up to now is 94.8 secs Computing kpt #: 90 total cpu time spent up to now is 95.7 secs Computing kpt #: 91 total cpu time spent up to now is 96.7 secs Computing kpt #: 92 total cpu time spent up to now is 97.7 secs Computing kpt #: 93 total cpu time spent up to now is 98.6 secs Computing kpt #: 94 total cpu time spent up to now is 99.5 secs Computing kpt #: 95 total cpu time spent up to now is 100.3 secs Computing kpt #: 96 total cpu time spent up to now is 101.1 secs Computing kpt #: 97 total cpu time spent up to now is 101.9 secs Computing kpt #: 98 total cpu time spent up to now is 102.7 secs Computing kpt #: 99 total cpu time spent up to now is 103.5 secs Computing kpt #: 100 total cpu time spent up to now is 104.3 secs Computing kpt #: 101 total cpu time spent up to now is 105.2 secs Computing kpt #: 102 total cpu time spent up to now is 106.0 secs Computing kpt #: 103 total cpu time spent up to now is 106.8 secs Computing kpt #: 104 total cpu time spent up to now is 107.6 secs Computing kpt #: 105 total cpu time spent up to now is 108.4 secs Computing kpt #: 106 total cpu time spent up to now is 109.2 secs Computing kpt #: 107 total cpu time spent up to now is 110.2 secs Computing kpt #: 108 total cpu time spent up to now is 111.1 secs Computing kpt #: 109 total cpu time spent up to now is 112.1 secs Computing kpt #: 110 total cpu time spent up to now is 113.1 secs Computing kpt #: 111 total cpu time spent up to now is 114.1 secs Computing kpt #: 112 total cpu time spent up to now is 115.0 secs Computing kpt #: 113 total cpu time spent up to now is 115.9 secs Computing kpt #: 114 total cpu time spent up to now is 116.9 secs Computing kpt #: 115 total cpu time spent up to now is 117.8 secs Computing kpt #: 116 total cpu time spent up to now is 118.8 secs Computing kpt #: 117 total cpu time spent up to now is 119.8 secs Computing kpt #: 118 total cpu time spent up to now is 121.1 secs Computing kpt #: 119 total cpu time spent up to now is 122.4 secs Computing kpt #: 120 total cpu time spent up to now is 124.1 secs Computing kpt #: 121 total cpu time spent up to now is 125.3 secs Computing kpt #: 122 total cpu time spent up to now is 126.6 secs Computing kpt #: 123 total cpu time spent up to now is 127.6 secs Computing kpt #: 124 total cpu time spent up to now is 128.5 secs Computing kpt #: 125 total cpu time spent up to now is 129.4 secs Computing kpt #: 126 total cpu time spent up to now is 130.4 secs Computing kpt #: 127 total cpu time spent up to now is 131.3 secs Computing kpt #: 128 total cpu time spent up to now is 132.2 secs Computing kpt #: 129 total cpu time spent up to now is 133.0 secs Computing kpt #: 130 total cpu time spent up to now is 133.8 secs Computing kpt #: 131 total cpu time spent up to now is 134.6 secs Computing kpt #: 132 total cpu time spent up to now is 135.4 secs Computing kpt #: 133 total cpu time spent up to now is 136.1 secs Computing kpt #: 134 total cpu time spent up to now is 136.9 secs Computing kpt #: 135 total cpu time spent up to now is 137.7 secs Computing kpt #: 136 total cpu time spent up to now is 138.4 secs Computing kpt #: 137 total cpu time spent up to now is 139.2 secs Computing kpt #: 138 total cpu time spent up to now is 140.0 secs Computing kpt #: 139 total cpu time spent up to now is 140.8 secs Computing kpt #: 140 total cpu time spent up to now is 141.5 secs Computing kpt #: 141 total cpu time spent up to now is 142.3 secs Computing kpt #: 142 total cpu time spent up to now is 143.0 secs Computing kpt #: 143 total cpu time spent up to now is 143.8 secs Computing kpt #: 144 total cpu time spent up to now is 144.5 secs Computing kpt #: 145 total cpu time spent up to now is 145.3 secs Computing kpt #: 146 total cpu time spent up to now is 146.1 secs Computing kpt #: 147 total cpu time spent up to now is 146.9 secs Computing kpt #: 148 total cpu time spent up to now is 147.6 secs Computing kpt #: 149 total cpu time spent up to now is 148.4 secs Computing kpt #: 150 total cpu time spent up to now is 149.3 secs Computing kpt #: 151 total cpu time spent up to now is 150.1 secs Computing kpt #: 152 total cpu time spent up to now is 150.9 secs Computing kpt #: 153 total cpu time spent up to now is 151.7 secs Computing kpt #: 154 total cpu time spent up to now is 152.5 secs Computing kpt #: 155 total cpu time spent up to now is 153.3 secs Computing kpt #: 156 total cpu time spent up to now is 154.2 secs Computing kpt #: 157 total cpu time spent up to now is 155.0 secs Computing kpt #: 158 total cpu time spent up to now is 155.9 secs Computing kpt #: 159 total cpu time spent up to now is 156.7 secs Computing kpt #: 160 total cpu time spent up to now is 157.7 secs Computing kpt #: 161 total cpu time spent up to now is 158.6 secs Computing kpt #: 162 total cpu time spent up to now is 159.6 secs Computing kpt #: 163 total cpu time spent up to now is 160.5 secs Computing kpt #: 164 total cpu time spent up to now is 161.5 secs Computing kpt #: 165 total cpu time spent up to now is 162.5 secs Computing kpt #: 166 total cpu time spent up to now is 163.5 secs Computing kpt #: 167 total cpu time spent up to now is 164.6 secs Computing kpt #: 168 total cpu time spent up to now is 165.6 secs Computing kpt #: 169 total cpu time spent up to now is 166.6 secs Computing kpt #: 170 total cpu time spent up to now is 167.7 secs Computing kpt #: 171 total cpu time spent up to now is 169.5 secs Computing kpt #: 172 total cpu time spent up to now is 171.8 secs Computing kpt #: 173 total cpu time spent up to now is 172.8 secs Computing kpt #: 174 total cpu time spent up to now is 173.9 secs Computing kpt #: 175 total cpu time spent up to now is 174.9 secs Computing kpt #: 176 total cpu time spent up to now is 175.9 secs Computing kpt #: 177 total cpu time spent up to now is 176.8 secs Computing kpt #: 178 total cpu time spent up to now is 178.1 secs Computing kpt #: 179 total cpu time spent up to now is 179.3 secs Computing kpt #: 180 total cpu time spent up to now is 180.4 secs Computing kpt #: 181 total cpu time spent up to now is 181.4 secs Computing kpt #: 182 total cpu time spent up to now is 182.4 secs Computing kpt #: 183 total cpu time spent up to now is 183.5 secs Computing kpt #: 184 total cpu time spent up to now is 184.5 secs Computing kpt #: 185 total cpu time spent up to now is 185.4 secs Computing kpt #: 186 total cpu time spent up to now is 186.4 secs Computing kpt #: 187 total cpu time spent up to now is 187.4 secs Computing kpt #: 188 total cpu time spent up to now is 188.3 secs Computing kpt #: 189 total cpu time spent up to now is 189.3 secs Computing kpt #: 190 total cpu time spent up to now is 190.3 secs Computing kpt #: 191 total cpu time spent up to now is 191.2 secs Computing kpt #: 192 total cpu time spent up to now is 192.2 secs Computing kpt #: 193 total cpu time spent up to now is 193.1 secs Computing kpt #: 194 total cpu time spent up to now is 194.1 secs Computing kpt #: 195 total cpu time spent up to now is 194.9 secs Computing kpt #: 196 total cpu time spent up to now is 195.8 secs Computing kpt #: 197 total cpu time spent up to now is 196.8 secs Computing kpt #: 198 total cpu time spent up to now is 197.6 secs Computing kpt #: 199 total cpu time spent up to now is 198.6 secs Computing kpt #: 200 total cpu time spent up to now is 199.6 secs Computing kpt #: 201 total cpu time spent up to now is 200.5 secs Computing kpt #: 202 total cpu time spent up to now is 201.5 secs Computing kpt #: 203 total cpu time spent up to now is 202.5 secs Computing kpt #: 204 total cpu time spent up to now is 203.4 secs Computing kpt #: 205 total cpu time spent up to now is 204.4 secs Computing kpt #: 206 total cpu time spent up to now is 205.4 secs Computing kpt #: 207 total cpu time spent up to now is 206.4 secs Computing kpt #: 208 total cpu time spent up to now is 207.4 secs Computing kpt #: 209 total cpu time spent up to now is 208.5 secs Computing kpt #: 210 total cpu time spent up to now is 209.5 secs Computing kpt #: 211 total cpu time spent up to now is 210.5 secs Computing kpt #: 212 total cpu time spent up to now is 211.4 secs Computing kpt #: 213 total cpu time spent up to now is 212.4 secs Computing kpt #: 214 total cpu time spent up to now is 213.4 secs Computing kpt #: 215 total cpu time spent up to now is 214.3 secs Computing kpt #: 216 total cpu time spent up to now is 215.2 secs Computing kpt #: 217 total cpu time spent up to now is 216.0 secs Computing kpt #: 218 total cpu time spent up to now is 216.8 secs Computing kpt #: 219 total cpu time spent up to now is 217.6 secs Computing kpt #: 220 total cpu time spent up to now is 218.4 secs Computing kpt #: 221 total cpu time spent up to now is 219.2 secs Computing kpt #: 222 total cpu time spent up to now is 220.0 secs Computing kpt #: 223 total cpu time spent up to now is 220.8 secs Computing kpt #: 224 total cpu time spent up to now is 221.6 secs Computing kpt #: 225 total cpu time spent up to now is 222.4 secs Computing kpt #: 226 total cpu time spent up to now is 223.2 secs Computing kpt #: 227 total cpu time spent up to now is 224.0 secs Computing kpt #: 228 total cpu time spent up to now is 224.8 secs Computing kpt #: 229 total cpu time spent up to now is 225.6 secs Computing kpt #: 230 total cpu time spent up to now is 226.6 secs Computing kpt #: 231 total cpu time spent up to now is 227.6 secs Computing kpt #: 232 total cpu time spent up to now is 228.6 secs Computing kpt #: 233 total cpu time spent up to now is 229.5 secs Computing kpt #: 234 total cpu time spent up to now is 230.5 secs Computing kpt #: 235 total cpu time spent up to now is 231.5 secs Computing kpt #: 236 total cpu time spent up to now is 232.5 secs Computing kpt #: 237 total cpu time spent up to now is 233.5 secs Computing kpt #: 238 total cpu time spent up to now is 234.4 secs Computing kpt #: 239 total cpu time spent up to now is 235.4 secs Computing kpt #: 240 total cpu time spent up to now is 236.4 secs Computing kpt #: 241 total cpu time spent up to now is 237.2 secs Computing kpt #: 242 total cpu time spent up to now is 238.0 secs Computing kpt #: 243 total cpu time spent up to now is 239.0 secs Computing kpt #: 244 total cpu time spent up to now is 239.8 secs Computing kpt #: 245 total cpu time spent up to now is 240.6 secs Computing kpt #: 246 total cpu time spent up to now is 241.4 secs Computing kpt #: 247 total cpu time spent up to now is 242.3 secs Computing kpt #: 248 total cpu time spent up to now is 243.2 secs Computing kpt #: 249 total cpu time spent up to now is 244.1 secs Computing kpt #: 250 total cpu time spent up to now is 244.9 secs Computing kpt #: 251 total cpu time spent up to now is 245.7 secs Computing kpt #: 252 total cpu time spent up to now is 246.5 secs Computing kpt #: 253 total cpu time spent up to now is 247.2 secs Computing kpt #: 254 total cpu time spent up to now is 248.0 secs Computing kpt #: 255 total cpu time spent up to now is 248.8 secs Computing kpt #: 256 total cpu time spent up to now is 249.5 secs Computing kpt #: 257 total cpu time spent up to now is 250.3 secs Computing kpt #: 258 total cpu time spent up to now is 251.0 secs Computing kpt #: 259 total cpu time spent up to now is 251.8 secs Computing kpt #: 260 total cpu time spent up to now is 252.6 secs Computing kpt #: 261 total cpu time spent up to now is 253.4 secs Computing kpt #: 262 total cpu time spent up to now is 254.2 secs Computing kpt #: 263 total cpu time spent up to now is 255.0 secs Computing kpt #: 264 total cpu time spent up to now is 255.8 secs Computing kpt #: 265 total cpu time spent up to now is 256.6 secs Computing kpt #: 266 total cpu time spent up to now is 257.4 secs Computing kpt #: 267 total cpu time spent up to now is 258.2 secs Computing kpt #: 268 total cpu time spent up to now is 259.0 secs Computing kpt #: 269 total cpu time spent up to now is 259.8 secs Computing kpt #: 270 total cpu time spent up to now is 260.6 secs Computing kpt #: 271 total cpu time spent up to now is 261.4 secs Computing kpt #: 272 total cpu time spent up to now is 262.2 secs Computing kpt #: 273 total cpu time spent up to now is 263.1 secs Computing kpt #: 274 total cpu time spent up to now is 263.9 secs Computing kpt #: 275 total cpu time spent up to now is 264.9 secs Computing kpt #: 276 total cpu time spent up to now is 265.8 secs Computing kpt #: 277 total cpu time spent up to now is 266.8 secs Computing kpt #: 278 total cpu time spent up to now is 267.7 secs Computing kpt #: 279 total cpu time spent up to now is 268.7 secs Computing kpt #: 280 total cpu time spent up to now is 269.7 secs Computing kpt #: 281 total cpu time spent up to now is 270.6 secs Computing kpt #: 282 total cpu time spent up to now is 271.6 secs Computing kpt #: 283 total cpu time spent up to now is 272.6 secs Computing kpt #: 284 total cpu time spent up to now is 273.6 secs Computing kpt #: 285 total cpu time spent up to now is 274.5 secs Computing kpt #: 286 total cpu time spent up to now is 275.5 secs Computing kpt #: 287 total cpu time spent up to now is 276.5 secs Computing kpt #: 288 total cpu time spent up to now is 277.5 secs Computing kpt #: 289 total cpu time spent up to now is 278.5 secs Computing kpt #: 290 total cpu time spent up to now is 279.5 secs Computing kpt #: 291 total cpu time spent up to now is 280.4 secs Computing kpt #: 292 total cpu time spent up to now is 281.4 secs Computing kpt #: 293 total cpu time spent up to now is 282.4 secs Computing kpt #: 294 total cpu time spent up to now is 283.4 secs Computing kpt #: 295 total cpu time spent up to now is 284.3 secs Computing kpt #: 296 total cpu time spent up to now is 285.3 secs Computing kpt #: 297 total cpu time spent up to now is 286.3 secs Computing kpt #: 298 total cpu time spent up to now is 287.3 secs Computing kpt #: 299 total cpu time spent up to now is 288.2 secs Computing kpt #: 300 total cpu time spent up to now is 289.2 secs Computing kpt #: 301 total cpu time spent up to now is 290.2 secs Computing kpt #: 302 total cpu time spent up to now is 291.1 secs Computing kpt #: 303 total cpu time spent up to now is 292.1 secs Computing kpt #: 304 total cpu time spent up to now is 293.1 secs ethr = 2.08E-08, avg # of iterations = 25.5 total cpu time spent up to now is 293.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 10441 PWs) bands (ev): -46.8229 -46.8229 -46.8163 -46.8163 -22.6071 -22.6071 -22.5551 -22.5551 -18.8965 -18.8965 -18.8673 -18.8673 -18.7274 -18.7274 -18.7080 -18.7080 -18.6989 -18.6989 -18.6703 -18.6703 -7.3944 -7.3944 -7.2733 -7.2733 -6.6048 -6.6048 -6.5874 -6.5874 -6.5038 -6.5038 -6.4379 -6.4379 -6.2781 -6.2781 -5.9009 -5.9009 2.4621 2.4621 3.2651 3.2651 3.3222 3.3222 3.3564 3.3564 3.5319 3.5319 3.5791 3.5791 6.0214 6.0214 7.3275 7.3275 8.2122 8.2122 9.0800 9.0800 9.6478 9.6478 k = 0.0000 0.0147-0.0000 ( 10429 PWs) bands (ev): -46.8229 -46.8229 -46.8163 -46.8163 -22.6070 -22.6070 -22.5551 -22.5551 -18.8966 -18.8966 -18.8672 -18.8672 -18.7274 -18.7274 -18.7080 -18.7080 -18.6988 -18.6988 -18.6703 -18.6703 -7.3946 -7.3946 -7.2735 -7.2735 -6.6094 -6.6094 -6.5842 -6.5842 -6.5026 -6.5026 -6.4391 -6.4391 -6.2763 -6.2763 -5.9009 -5.9009 2.4629 2.4629 3.2619 3.2619 3.3168 3.3168 3.3627 3.3627 3.5300 3.5300 3.5770 3.5770 6.0266 6.0266 7.3304 7.3304 8.2134 8.2134 9.0827 9.0827 9.6408 9.6408 k = 0.0000 0.0294-0.0000 ( 10421 PWs) bands (ev): -46.8229 -46.8229 -46.8163 -46.8163 -22.6069 -22.6069 -22.5552 -22.5552 -18.8965 -18.8965 -18.8672 -18.8672 -18.7273 -18.7273 -18.7080 -18.7080 -18.6989 -18.6989 -18.6704 -18.6704 -7.3951 -7.3951 -7.2740 -7.2740 -6.6188 -6.6188 -6.5788 -6.5788 -6.4993 -6.4993 -6.4423 -6.4423 -6.2711 -6.2711 -5.9007 -5.9007 2.4652 2.4652 3.2516 3.2516 3.3081 3.3081 3.3748 3.3748 3.5236 3.5236 3.5715 3.5715 6.0421 6.0421 7.3392 7.3392 8.2169 8.2169 9.0906 9.0906 9.6159 9.6159 k = 0.0000 0.0441-0.0000 ( 10425 PWs) bands (ev): -46.8228 -46.8228 -46.8163 -46.8163 -22.6067 -22.6067 -22.5553 -22.5553 -18.8964 -18.8964 -18.8673 -18.8673 -18.7272 -18.7272 -18.7080 -18.7080 -18.6989 -18.6989 -18.6706 -18.6706 -7.3961 -7.3961 -7.2749 -7.2749 -6.6300 -6.6300 -6.5738 -6.5738 -6.4948 -6.4948 -6.4466 -6.4466 -6.2629 -6.2629 -5.9004 -5.9004 2.4690 2.4690 3.2339 3.2339 3.3018 3.3018 3.3871 3.3871 3.5116 3.5116 3.5643 3.5643 6.0675 6.0675 7.3539 7.3539 8.2227 8.2227 9.1035 9.1035 9.5745 9.5745 k = 0.0000 0.0588-0.0000 ( 10435 PWs) bands (ev): -46.8228 -46.8228 -46.8164 -46.8164 -22.6065 -22.6065 -22.5554 -22.5554 -18.8963 -18.8963 -18.8674 -18.8674 -18.7271 -18.7271 -18.7080 -18.7080 -18.6990 -18.6990 -18.6708 -18.6708 -7.3974 -7.3974 -7.2761 -7.2761 -6.6421 -6.6421 -6.5695 -6.5695 -6.4910 -6.4910 -6.4501 -6.4501 -6.2524 -6.2524 -5.9000 -5.9000 2.4744 2.4744 3.2104 3.2104 3.2981 3.2981 3.3975 3.3975 3.4934 3.4934 3.5572 3.5572 6.1023 6.1023 7.3741 7.3741 8.2305 8.2305 9.1211 9.1211 9.5232 9.5232 k = 0.0000 0.0735-0.0000 ( 10437 PWs) bands (ev): -46.8228 -46.8228 -46.8164 -46.8164 -22.6062 -22.6062 -22.5556 -22.5556 -18.8962 -18.8962 -18.8675 -18.8675 -18.7268 -18.7268 -18.7080 -18.7080 -18.6991 -18.6991 -18.6711 -18.6711 -7.3990 -7.3990 -7.2778 -7.2778 -6.6547 -6.6547 -6.5658 -6.5658 -6.4905 -6.4905 -6.4503 -6.4503 -6.2402 -6.2402 -5.8995 -5.8995 2.4812 2.4812 3.1828 3.1828 3.2958 3.2958 3.4037 3.4037 3.4710 3.4710 3.5507 3.5507 6.1459 6.1459 7.3999 7.3999 8.2400 8.2400 9.1427 9.1427 9.4668 9.4668 k = 0.0000 0.0882-0.0000 ( 10437 PWs) bands (ev): -46.8227 -46.8227 -46.8164 -46.8164 -22.6058 -22.6058 -22.5558 -22.5558 -18.8960 -18.8960 -18.8677 -18.8677 -18.7265 -18.7265 -18.7080 -18.7080 -18.6992 -18.6992 -18.6715 -18.6715 -7.4010 -7.4010 -7.2798 -7.2798 -6.6673 -6.6673 -6.5625 -6.5625 -6.4944 -6.4944 -6.4459 -6.4459 -6.2268 -6.2268 -5.8989 -5.8989 2.4895 2.4895 3.1522 3.1522 3.2942 3.2942 3.3986 3.3986 3.4525 3.4525 3.5447 3.5447 6.1974 6.1974 7.4308 7.4308 8.2508 8.2508 9.1671 9.1671 9.4081 9.4081 k = 0.0000 0.1029-0.0000 ( 10439 PWs) bands (ev): -46.8227 -46.8227 -46.8165 -46.8165 -22.6053 -22.6053 -22.5560 -22.5560 -18.8958 -18.8958 -18.8678 -18.8678 -18.7262 -18.7262 -18.7080 -18.7080 -18.6993 -18.6993 -18.6719 -18.6719 -7.4033 -7.4033 -7.2822 -7.2822 -6.6799 -6.6799 -6.5596 -6.5596 -6.5012 -6.5012 -6.4384 -6.4384 -6.2124 -6.2124 -5.8981 -5.8981 2.4991 2.4991 3.1192 3.1192 3.2929 3.2929 3.3738 3.3738 3.4473 3.4473 3.5387 3.5387 6.2562 6.2562 7.4667 7.4667 8.2626 8.2626 9.1925 9.1925 9.3491 9.3491 k = 0.0000 0.1176-0.0000 ( 10427 PWs) bands (ev): -46.8226 -46.8226 -46.8165 -46.8165 -22.6048 -22.6048 -22.5563 -22.5563 -18.8955 -18.8955 -18.8680 -18.8680 -18.7257 -18.7257 -18.7079 -18.7079 -18.6994 -18.6994 -18.6724 -18.6724 -7.4059 -7.4059 -7.2851 -7.2851 -6.6922 -6.6922 -6.5572 -6.5572 -6.5091 -6.5091 -6.4295 -6.4295 -6.1974 -6.1974 -5.8972 -5.8972 2.5099 2.5099 3.0842 3.0842 3.2917 3.2917 3.3365 3.3365 3.4495 3.4495 3.5326 3.5326 6.3213 6.3213 7.5071 7.5071 8.2748 8.2748 9.2159 9.2159 9.2914 9.2914 k = 0.0000 0.1324-0.0000 ( 10431 PWs) bands (ev): -46.8226 -46.8226 -46.8166 -46.8166 -22.6042 -22.6042 -22.5566 -22.5566 -18.8952 -18.8952 -18.8682 -18.8682 -18.7253 -18.7253 -18.7079 -18.7079 -18.6996 -18.6996 -18.6730 -18.6730 -7.4087 -7.4087 -7.2883 -7.2883 -6.7042 -6.7042 -6.5560 -6.5560 -6.5164 -6.5164 -6.4200 -6.4200 -6.1820 -6.1820 -5.8962 -5.8962 2.5219 2.5219 3.0477 3.0477 3.2904 3.2904 3.2939 3.2939 3.4529 3.4529 3.5263 3.5263 6.3921 6.3921 7.5517 7.5517 8.2869 8.2869 9.2291 9.2291 9.2400 9.2400 k = 0.0000 0.1471-0.0000 ( 10421 PWs) bands (ev): -46.8225 -46.8225 -46.8166 -46.8166 -22.6035 -22.6035 -22.5570 -22.5570 -18.8949 -18.8949 -18.8685 -18.8685 -18.7248 -18.7248 -18.7079 -18.7079 -18.6997 -18.6997 -18.6736 -18.6736 -7.4117 -7.4117 -7.2920 -7.2920 -6.7156 -6.7156 -6.5569 -6.5569 -6.5217 -6.5217 -6.4106 -6.4106 -6.1664 -6.1664 -5.8950 -5.8950 2.5349 2.5349 3.0099 3.0099 3.2480 3.2480 3.2897 3.2897 3.4557 3.4557 3.5200 3.5200 6.4678 6.4678 7.6001 7.6001 8.2983 8.2983 9.1829 9.1829 9.2397 9.2397 k = 0.0000 0.1618-0.0000 ( 10405 PWs) bands (ev): -46.8224 -46.8224 -46.8167 -46.8167 -22.6028 -22.6028 -22.5574 -22.5574 -18.8945 -18.8945 -18.8687 -18.8687 -18.7242 -18.7242 -18.7078 -18.7078 -18.6999 -18.6999 -18.6742 -18.6742 -7.4150 -7.4150 -7.2962 -7.2962 -6.7263 -6.7263 -6.5609 -6.5609 -6.5237 -6.5237 -6.4013 -6.4013 -6.1506 -6.1506 -5.8937 -5.8937 2.5488 2.5488 2.9711 2.9711 3.2010 3.2010 3.2886 3.2886 3.4571 3.4571 3.5138 3.5138 6.5477 6.5477 7.6516 7.6516 8.3086 8.3086 9.1354 9.1354 9.2290 9.2290 k = 0.0000 0.1765-0.0000 ( 10409 PWs) bands (ev): -46.8224 -46.8224 -46.8168 -46.8168 -22.6020 -22.6020 -22.5579 -22.5579 -18.8942 -18.8942 -18.8690 -18.8690 -18.7236 -18.7236 -18.7078 -18.7078 -18.7001 -18.7001 -18.6749 -18.6749 -7.4183 -7.4183 -7.3008 -7.3008 -6.7363 -6.7363 -6.5677 -6.5677 -6.5226 -6.5226 -6.3925 -6.3925 -6.1348 -6.1348 -5.8923 -5.8923 2.5631 2.5631 2.9316 2.9316 3.1536 3.1536 3.2876 3.2876 3.4570 3.4570 3.5078 3.5078 6.6314 6.6314 7.7057 7.7057 8.3174 8.3174 9.0928 9.0928 9.2025 9.2025 k = 0.0000 0.1912-0.0000 ( 10409 PWs) bands (ev): -46.8223 -46.8223 -46.8169 -46.8169 -22.6012 -22.6012 -22.5583 -22.5583 -18.8938 -18.8938 -18.8693 -18.8693 -18.7230 -18.7230 -18.7078 -18.7078 -18.7003 -18.7003 -18.6757 -18.6757 -7.4218 -7.4218 -7.3058 -7.3058 -6.7456 -6.7456 -6.5762 -6.5762 -6.5195 -6.5195 -6.3843 -6.3843 -6.1191 -6.1191 -5.8908 -5.8908 2.5777 2.5777 2.8917 2.8917 3.1067 3.1067 3.2867 3.2867 3.4550 3.4550 3.5023 3.5023 6.7182 6.7182 7.7615 7.7615 8.3247 8.3247 9.0557 9.0557 9.1636 9.1636 k = 0.0000 0.2059-0.0000 ( 10417 PWs) bands (ev): -46.8222 -46.8222 -46.8170 -46.8170 -22.6003 -22.6003 -22.5589 -22.5589 -18.8934 -18.8934 -18.8697 -18.8697 -18.7223 -18.7223 -18.7078 -18.7078 -18.7005 -18.7005 -18.6766 -18.6766 -7.4254 -7.4254 -7.3113 -7.3113 -6.7539 -6.7539 -6.5853 -6.5853 -6.5152 -6.5152 -6.3767 -6.3767 -6.1035 -6.1035 -5.8891 -5.8891 2.5919 2.5919 2.8517 2.8517 3.0614 3.0614 3.2857 3.2857 3.4512 3.4512 3.4971 3.4971 6.8077 6.8077 7.8178 7.8178 8.3311 8.3311 9.0246 9.0246 9.1160 9.1160 k = 0.0000 0.2206-0.0000 ( 10421 PWs) bands (ev): -46.8221 -46.8221 -46.8171 -46.8171 -22.5994 -22.5994 -22.5594 -22.5594 -18.8929 -18.8929 -18.8701 -18.8701 -18.7215 -18.7215 -18.7077 -18.7077 -18.7008 -18.7008 -18.6775 -18.6775 -7.4289 -7.4289 -7.3172 -7.3172 -6.7614 -6.7614 -6.5948 -6.5948 -6.5102 -6.5102 -6.3698 -6.3698 -6.0882 -6.0882 -5.8874 -5.8874 2.6051 2.6051 2.8118 2.8118 3.0188 3.0188 3.2848 3.2848 3.4458 3.4458 3.4922 3.4922 6.8994 6.8994 7.8730 7.8730 8.3377 8.3377 8.9992 8.9992 9.0629 9.0629 k = 0.0000 0.2353-0.0000 ( 10425 PWs) bands (ev): -46.8220 -46.8220 -46.8172 -46.8172 -22.5984 -22.5984 -22.5600 -22.5600 -18.8924 -18.8924 -18.8705 -18.8705 -18.7207 -18.7207 -18.7076 -18.7076 -18.7011 -18.7011 -18.6784 -18.6784 -7.4325 -7.4325 -7.3235 -7.3235 -6.7679 -6.7679 -6.6044 -6.6044 -6.5047 -6.5047 -6.3636 -6.3636 -6.0732 -6.0732 -5.8856 -5.8856 2.6162 2.6162 2.7724 2.7724 2.9803 2.9803 3.2840 3.2840 3.4389 3.4389 3.4873 3.4873 6.9929 6.9929 7.9250 7.9250 8.3466 8.3466 8.9788 8.9788 9.0069 9.0069 k = 0.0000 0.2500-0.0000 ( 10421 PWs) bands (ev): -46.8219 -46.8219 -46.8173 -46.8173 -22.5974 -22.5974 -22.5607 -22.5607 -18.8919 -18.8919 -18.8709 -18.8709 -18.7199 -18.7199 -18.7076 -18.7076 -18.7013 -18.7013 -18.6794 -18.6794 -7.4359 -7.4359 -7.3301 -7.3301 -6.7735 -6.7735 -6.6139 -6.6139 -6.4987 -6.4987 -6.3582 -6.3582 -6.0584 -6.0584 -5.8838 -5.8838 2.6237 2.6237 2.7336 2.7336 2.9476 2.9476 3.2832 3.2832 3.4311 3.4311 3.4820 3.4820 7.0879 7.0879 7.9707 7.9707 8.3611 8.3611 8.9446 8.9446 8.9675 8.9675 k = 0.0000 0.2647-0.0000 ( 10425 PWs) bands (ev): -46.8218 -46.8218 -46.8174 -46.8174 -22.5964 -22.5964 -22.5613 -22.5613 -18.8914 -18.8914 -18.8714 -18.8714 -18.7190 -18.7190 -18.7075 -18.7075 -18.7016 -18.7016 -18.6804 -18.6804 -7.4392 -7.4392 -7.3371 -7.3371 -6.7781 -6.7781 -6.6233 -6.6233 -6.4924 -6.4924 -6.3537 -6.3537 -6.0441 -6.0441 -5.8820 -5.8820 2.6257 2.6257 2.6958 2.6958 2.9227 2.9227 3.2825 3.2825 3.4225 3.4225 3.4761 3.4761 7.1840 7.1840 8.0070 8.0070 8.3846 8.3846 8.8858 8.8858 8.9555 8.9555 k = 0.0000 0.2794-0.0000 ( 10427 PWs) bands (ev): -46.8217 -46.8217 -46.8175 -46.8175 -22.5953 -22.5953 -22.5621 -22.5621 -18.8909 -18.8909 -18.8718 -18.8718 -18.7182 -18.7182 -18.7075 -18.7075 -18.7018 -18.7018 -18.6814 -18.6814 -7.4423 -7.4423 -7.3443 -7.3443 -6.7817 -6.7817 -6.6326 -6.6326 -6.4858 -6.4858 -6.3499 -6.3499 -6.0302 -6.0302 -5.8802 -5.8802 2.6208 2.6208 2.6592 2.6592 2.9074 2.9074 3.2820 3.2820 3.4134 3.4134 3.4694 3.4694 7.2809 7.2809 8.0319 8.0319 8.4197 8.4197 8.8257 8.8257 8.9475 8.9475 k = 0.0000 0.2941-0.0000 ( 10415 PWs) bands (ev): -46.8215 -46.8215 -46.8176 -46.8176 -22.5942 -22.5942 -22.5628 -22.5628 -18.8903 -18.8903 -18.8723 -18.8723 -18.7172 -18.7172 -18.7074 -18.7074 -18.7020 -18.7020 -18.6825 -18.6825 -7.4453 -7.4453 -7.3518 -7.3518 -6.7844 -6.7844 -6.6417 -6.6417 -6.4790 -6.4790 -6.3470 -6.3470 -6.0167 -6.0167 -5.8785 -5.8785 2.6084 2.6084 2.6239 2.6239 2.9023 2.9023 3.2816 3.2816 3.4041 3.4041 3.4617 3.4617 7.3783 7.3783 8.0458 8.0458 8.4665 8.4665 8.7656 8.7656 8.9416 8.9416 k = 0.0000 0.3088-0.0000 ( 10425 PWs) bands (ev): -46.8214 -46.8214 -46.8177 -46.8177 -22.5930 -22.5930 -22.5636 -22.5636 -18.8897 -18.8897 -18.8728 -18.8728 -18.7162 -18.7162 -18.7073 -18.7073 -18.7023 -18.7023 -18.6837 -18.6837 -7.4479 -7.4479 -7.3593 -7.3593 -6.7863 -6.7863 -6.6506 -6.6506 -6.4720 -6.4720 -6.3449 -6.3449 -6.0037 -6.0037 -5.8769 -5.8769 2.5892 2.5892 2.5908 2.5908 2.9064 2.9064 3.2813 3.2813 3.3946 3.3946 3.4529 3.4529 7.4757 7.4757 8.0510 8.0510 8.5228 8.5228 8.7063 8.7063 8.9366 8.9366 k = 0.0000 0.3235-0.0000 ( 10425 PWs) bands (ev): -46.8213 -46.8213 -46.8179 -46.8179 -22.5918 -22.5918 -22.5645 -22.5645 -18.8891 -18.8891 -18.8733 -18.8733 -18.7152 -18.7152 -18.7072 -18.7072 -18.7026 -18.7026 -18.6848 -18.6848 -7.4502 -7.4502 -7.3670 -7.3670 -6.7873 -6.7873 -6.6594 -6.6594 -6.4649 -6.4649 -6.3436 -6.3436 -5.9913 -5.9913 -5.8755 -5.8755 2.5583 2.5583 2.5670 2.5670 2.9176 2.9176 3.2813 3.2813 3.3849 3.3849 3.4430 3.4430 7.5730 7.5730 8.0508 8.0508 8.5855 8.5855 8.6487 8.6487 8.9315 8.9315 k = 0.0000 0.3382-0.0000 ( 10435 PWs) bands (ev): -46.8212 -46.8212 -46.8180 -46.8180 -22.5906 -22.5906 -22.5653 -22.5653 -18.8885 -18.8885 -18.8739 -18.8739 -18.7142 -18.7142 -18.7071 -18.7071 -18.7029 -18.7029 -18.6860 -18.6860 -7.4522 -7.4522 -7.3747 -7.3747 -6.7874 -6.7874 -6.6679 -6.6679 -6.4576 -6.4576 -6.3431 -6.3431 -5.9794 -5.9794 -5.8744 -5.8744 2.5284 2.5284 2.5419 2.5419 2.9340 2.9340 3.2815 3.2815 3.3752 3.3752 3.4320 3.4320 7.6697 7.6697 8.0477 8.0477 8.5898 8.5898 8.6551 8.6551 8.9256 8.9256 k = 0.0000 0.3529-0.0000 ( 10425 PWs) bands (ev): -46.8210 -46.8210 -46.8181 -46.8181 -22.5894 -22.5894 -22.5662 -22.5662 -18.8878 -18.8878 -18.8745 -18.8745 -18.7131 -18.7131 -18.7070 -18.7070 -18.7031 -18.7031 -18.6873 -18.6873 -7.4538 -7.4538 -7.3823 -7.3823 -6.7868 -6.7868 -6.6763 -6.6763 -6.4503 -6.4503 -6.3434 -6.3434 -5.9680 -5.9680 -5.8735 -5.8735 2.5006 2.5006 2.5163 2.5163 2.9540 2.9540 3.2819 3.2819 3.3655 3.3655 3.4200 3.4200 7.7655 7.7655 8.0437 8.0437 8.5354 8.5354 8.7240 8.7240 8.9184 8.9184 k = 0.0000 0.3676-0.0000 ( 10425 PWs) bands (ev): -46.8209 -46.8209 -46.8183 -46.8183 -22.5882 -22.5882 -22.5672 -22.5672 -18.8872 -18.8872 -18.8750 -18.8750 -18.7120 -18.7120 -18.7069 -18.7069 -18.7034 -18.7034 -18.6885 -18.6885 -7.4550 -7.4550 -7.3897 -7.3897 -6.7855 -6.7855 -6.6845 -6.6845 -6.4429 -6.4429 -6.3444 -6.3444 -5.9573 -5.9573 -5.8729 -5.8729 2.4751 2.4751 2.4913 2.4913 2.9764 2.9764 3.2826 3.2826 3.3556 3.3556 3.4070 3.4070 7.8600 7.8600 8.0403 8.0403 8.4826 8.4826 8.7925 8.7925 8.9106 8.9106 k = 0.0000 0.3824-0.0000 ( 10421 PWs) bands (ev): -46.8207 -46.8207 -46.8184 -46.8184 -22.5869 -22.5869 -22.5681 -22.5681 -18.8865 -18.8865 -18.8757 -18.8757 -18.7108 -18.7108 -18.7067 -18.7067 -18.7036 -18.7036 -18.6898 -18.6898 -7.4557 -7.4557 -7.3970 -7.3970 -6.7835 -6.7835 -6.6925 -6.6925 -6.4355 -6.4355 -6.3460 -6.3460 -5.9471 -5.9471 -5.8727 -5.8727 2.4520 2.4520 2.4676 2.4676 3.0005 3.0005 3.2836 3.2836 3.3455 3.3455 3.3933 3.3933 7.9527 7.9527 8.0383 8.0383 8.4320 8.4320 8.8488 8.8488 8.9119 8.9119 k = 0.0000 0.3971-0.0000 ( 10413 PWs) bands (ev): -46.8206 -46.8206 -46.8185 -46.8185 -22.5857 -22.5857 -22.5692 -22.5692 -18.8858 -18.8858 -18.8763 -18.8763 -18.7097 -18.7097 -18.7065 -18.7065 -18.7038 -18.7038 -18.6910 -18.6910 -7.4559 -7.4559 -7.4041 -7.4041 -6.7808 -6.7808 -6.7003 -6.7003 -6.4281 -6.4281 -6.3484 -6.3484 -5.9376 -5.9376 -5.8729 -5.8729 2.4314 2.4314 2.4458 2.4458 3.0257 3.0257 3.2849 3.2849 3.3349 3.3349 3.3792 3.3792 8.0384 8.0384 8.0433 8.0433 8.3841 8.3841 8.8573 8.8573 8.9565 8.9565 k = 0.0000 0.4118-0.0000 ( 10407 PWs) bands (ev): -46.8205 -46.8205 -46.8187 -46.8187 -22.5844 -22.5844 -22.5702 -22.5702 -18.8851 -18.8851 -18.8769 -18.8769 -18.7086 -18.7086 -18.7063 -18.7063 -18.7040 -18.7040 -18.6923 -18.6923 -7.4557 -7.4557 -7.4109 -7.4109 -6.7776 -6.7776 -6.7079 -6.7079 -6.4207 -6.4207 -6.3514 -6.3514 -5.9288 -5.9288 -5.8736 -5.8736 2.4136 2.4136 2.4262 2.4262 3.0516 3.0516 3.2862 3.2862 3.3234 3.3234 3.3654 3.3654 8.0414 8.0414 8.1308 8.1308 8.3392 8.3392 8.8389 8.8389 9.0220 9.0220 k = 0.0000 0.4265-0.0000 ( 10401 PWs) bands (ev): -46.8203 -46.8203 -46.8188 -46.8188 -22.5832 -22.5832 -22.5713 -22.5713 -18.8844 -18.8844 -18.8776 -18.8776 -18.7077 -18.7077 -18.7060 -18.7060 -18.7041 -18.7041 -18.6936 -18.6936 -7.4549 -7.4549 -7.4173 -7.4173 -6.7739 -6.7739 -6.7153 -6.7153 -6.4135 -6.4135 -6.3549 -6.3549 -5.9205 -5.9205 -5.8748 -5.8748 2.3984 2.3984 2.4092 2.4092 3.0778 3.0778 3.2871 3.2871 3.3110 3.3110 3.3525 3.3525 8.0472 8.0472 8.2130 8.2130 8.2994 8.2994 8.8119 8.8119 9.0895 9.0895 k = 0.0000 0.4412-0.0000 ( 10404 PWs) bands (ev): -46.8202 -46.8202 -46.8189 -46.8189 -22.5819 -22.5819 -22.5724 -22.5724 -18.8837 -18.8837 -18.8782 -18.8782 -18.7070 -18.7070 -18.7056 -18.7056 -18.7040 -18.7040 -18.6949 -18.6949 -7.4535 -7.4535 -7.4233 -7.4233 -6.7696 -6.7696 -6.7225 -6.7225 -6.4064 -6.4064 -6.3591 -6.3591 -5.9130 -5.9130 -5.8765 -5.8765 2.3861 2.3861 2.3949 2.3949 3.1042 3.1042 3.2837 3.2837 3.3010 3.3010 3.3413 3.3413 8.0563 8.0563 8.2469 8.2469 8.3076 8.3076 8.7785 8.7785 9.1561 9.1561 k = 0.0000 0.4559-0.0000 ( 10426 PWs) bands (ev): -46.8200 -46.8200 -46.8191 -46.8191 -22.5807 -22.5807 -22.5735 -22.5735 -18.8830 -18.8830 -18.8789 -18.8789 -18.7066 -18.7066 -18.7055 -18.7055 -18.7034 -18.7034 -18.6962 -18.6962 -7.4516 -7.4516 -7.4288 -7.4288 -6.7650 -6.7650 -6.7294 -6.7294 -6.3995 -6.3995 -6.3637 -6.3637 -5.9061 -5.9061 -5.8789 -5.8789 2.3768 2.3768 2.3833 2.3833 3.1303 3.1303 3.2700 3.2700 3.2996 3.2996 3.3318 3.3318 8.0688 8.0688 8.2154 8.2154 8.3803 8.3803 8.7389 8.7389 9.2210 9.2210 k = 0.0000 0.4706-0.0000 ( 10436 PWs) bands (ev): -46.8199 -46.8199 -46.8193 -46.8193 -22.5794 -22.5794 -22.5746 -22.5746 -18.8823 -18.8823 -18.8796 -18.8796 -18.7063 -18.7063 -18.7056 -18.7056 -18.7024 -18.7024 -18.6976 -18.6976 -7.4492 -7.4492 -7.4340 -7.4340 -6.7599 -6.7599 -6.7361 -6.7361 -6.3927 -6.3927 -6.3687 -6.3687 -5.8999 -5.8999 -5.8818 -5.8818 2.3703 2.3703 2.3747 2.3747 3.1561 3.1561 3.2506 3.2506 3.3022 3.3022 3.3237 3.3237 8.0847 8.0847 8.1830 8.1830 8.4527 8.4527 8.6931 8.6931 9.2839 9.2839 k = 0.0000 0.4853-0.0000 ( 10434 PWs) bands (ev): -46.8197 -46.8197 -46.8194 -46.8194 -22.5782 -22.5782 -22.5758 -22.5758 -18.8817 -18.8817 -18.8803 -18.8803 -18.7061 -18.7061 -18.7057 -18.7057 -18.7013 -18.7013 -18.6988 -18.6988 -7.4462 -7.4462 -7.4386 -7.4386 -6.7544 -6.7544 -6.7425 -6.7425 -6.3863 -6.3863 -6.3742 -6.3742 -5.8944 -5.8944 -5.8853 -5.8853 2.3669 2.3669 2.3691 2.3691 3.1813 3.1813 3.2289 3.2289 3.3062 3.3062 3.3169 3.3169 8.1042 8.1042 8.1534 8.1534 8.5208 8.5208 8.6414 8.6414 9.3446 9.3446 k = 0.0000 0.5000-0.0000 ( 10432 PWs) bands (ev): -46.8196 -46.8196 -46.8196 -46.8196 -22.5770 -22.5770 -22.5770 -22.5770 -18.8810 -18.8810 -18.8810 -18.8810 -18.7059 -18.7059 -18.7059 -18.7059 -18.7001 -18.7001 -18.7001 -18.7001 -7.4426 -7.4426 -7.4426 -7.4426 -6.7486 -6.7486 -6.7486 -6.7486 -6.3801 -6.3801 -6.3801 -6.3801 -5.8895 -5.8895 -5.8895 -5.8895 2.3665 2.3665 2.3665 2.3665 3.2057 3.2057 3.2057 3.2057 3.3111 3.3111 3.3111 3.3111 8.1271 8.1271 8.1271 8.1271 8.5839 8.5839 8.5839 8.5839 9.4033 9.4033 k = 0.0000 0.5000-0.0000 ( 10432 PWs) bands (ev): -46.8196 -46.8196 -46.8196 -46.8196 -22.5770 -22.5770 -22.5770 -22.5770 -18.8810 -18.8810 -18.8810 -18.8810 -18.7059 -18.7059 -18.7059 -18.7059 -18.7001 -18.7001 -18.7001 -18.7001 -7.4426 -7.4426 -7.4426 -7.4426 -6.7486 -6.7486 -6.7486 -6.7486 -6.3801 -6.3801 -6.3801 -6.3801 -5.8895 -5.8895 -5.8895 -5.8895 2.3665 2.3665 2.3665 2.3665 3.2057 3.2057 3.2057 3.2057 3.3111 3.3111 3.3111 3.3111 8.1271 8.1271 8.1271 8.1271 8.5839 8.5839 8.5839 8.5839 9.4033 9.4033 k = 0.0147 0.5000-0.0000 ( 10420 PWs) bands (ev): -46.8196 -46.8196 -46.8196 -46.8196 -22.5770 -22.5770 -22.5770 -22.5770 -18.8810 -18.8810 -18.8809 -18.8809 -18.7064 -18.7064 -18.7057 -18.7057 -18.7002 -18.7002 -18.6996 -18.6996 -7.4432 -7.4432 -7.4418 -7.4418 -6.7520 -6.7520 -6.7450 -6.7450 -6.3834 -6.3834 -6.3770 -6.3770 -5.8903 -5.8903 -5.8896 -5.8896 2.3665 2.3665 2.3677 2.3677 3.2028 3.2028 3.2079 3.2079 3.3079 3.3079 3.3131 3.3131 8.1258 8.1258 8.1269 8.1269 8.5824 8.5824 8.5828 8.5828 9.4049 9.4049 k = 0.0294 0.5000-0.0000 ( 10434 PWs) bands (ev): -46.8196 -46.8196 -46.8196 -46.8196 -22.5770 -22.5770 -22.5770 -22.5770 -18.8811 -18.8811 -18.8810 -18.8810 -18.7071 -18.7071 -18.7060 -18.7060 -18.6999 -18.6999 -18.6989 -18.6989 -7.4434 -7.4434 -7.4406 -7.4406 -6.7550 -6.7550 -6.7411 -6.7411 -6.3870 -6.3870 -6.3742 -6.3742 -5.8919 -5.8919 -5.8906 -5.8906 2.3677 2.3677 2.3700 2.3700 3.1992 3.1992 3.2095 3.2095 3.3036 3.3036 3.3139 3.3139 8.1230 8.1230 8.1251 8.1251 8.5785 8.5785 8.5792 8.5792 9.4113 9.4113 k = 0.0441 0.5000-0.0000 ( 10434 PWs) bands (ev): -46.8196 -46.8196 -46.8196 -46.8196 -22.5769 -22.5769 -22.5769 -22.5769 -18.8812 -18.8812 -18.8810 -18.8810 -18.7079 -18.7079 -18.7065 -18.7065 -18.6993 -18.6993 -18.6981 -18.6981 -7.4433 -7.4433 -7.4390 -7.4390 -6.7577 -6.7577 -6.7369 -6.7369 -6.3909 -6.3909 -6.3717 -6.3717 -5.8943 -5.8943 -5.8924 -5.8924 2.3700 2.3700 2.3735 2.3735 3.1951 3.1951 3.2103 3.2103 3.2983 3.2983 3.3137 3.3137 8.1186 8.1186 8.1216 8.1216 8.5722 8.5722 8.5734 8.5734 9.4230 9.4230 k = 0.0588 0.5000-0.0000 ( 10434 PWs) bands (ev): -46.8196 -46.8196 -46.8196 -46.8196 -22.5769 -22.5769 -22.5769 -22.5769 -18.8813 -18.8813 -18.8810 -18.8810 -18.7088 -18.7088 -18.7072 -18.7072 -18.6986 -18.6986 -18.6972 -18.6972 -7.4428 -7.4428 -7.4372 -7.4372 -6.7602 -6.7602 -6.7324 -6.7324 -6.3950 -6.3950 -6.3694 -6.3694 -5.8976 -5.8976 -5.8949 -5.8949 2.3735 2.3735 2.3781 2.3781 3.1903 3.1903 3.2103 3.2103 3.2921 3.2921 3.3123 3.3123 8.1126 8.1126 8.1165 8.1165 8.5641 8.5641 8.5657 8.5657 9.4401 9.4401 k = 0.0735 0.5000-0.0000 ( 10434 PWs) bands (ev): -46.8196 -46.8196 -46.8196 -46.8196 -22.5768 -22.5768 -22.5768 -22.5768 -18.8815 -18.8815 -18.8811 -18.8811 -18.7097 -18.7097 -18.7079 -18.7079 -18.6977 -18.6977 -18.6963 -18.6963 -7.4421 -7.4421 -7.4351 -7.4351 -6.7623 -6.7623 -6.7276 -6.7276 -6.3994 -6.3994 -6.3673 -6.3673 -5.9017 -5.9017 -5.8983 -5.8983 2.3780 2.3780 2.3836 2.3836 3.1849 3.1849 3.2094 3.2094 3.2853 3.2853 3.3100 3.3100 8.1050 8.1050 8.1096 8.1096 8.5544 8.5544 8.5567 8.5567 9.4629 9.4629 k = 0.0882 0.5000-0.0000 ( 10434 PWs) bands (ev): -46.8196 -46.8196 -46.8196 -46.8196 -22.5767 -22.5767 -22.5767 -22.5767 -18.8816 -18.8816 -18.8812 -18.8812 -18.7106 -18.7106 -18.7088 -18.7088 -18.6967 -18.6967 -18.6954 -18.6954 -7.4410 -7.4410 -7.4327 -7.4327 -6.7641 -6.7641 -6.7225 -6.7225 -6.4041 -6.4041 -6.3655 -6.3655 -5.9066 -5.9066 -5.9025 -5.9025 2.3835 2.3835 2.3901 2.3901 3.1789 3.1789 3.2074 3.2074 3.2780 3.2780 3.3069 3.3069 8.0957 8.0957 8.1010 8.1010 8.5437 8.5437 8.5466 8.5466 9.4916 9.4916 k = 0.1029 0.5000-0.0000 ( 10422 PWs) bands (ev): -46.8196 -46.8196 -46.8196 -46.8196 -22.5766 -22.5766 -22.5766 -22.5766 -18.8818 -18.8818 -18.8813 -18.8813 -18.7114 -18.7114 -18.7096 -18.7096 -18.6957 -18.6957 -18.6944 -18.6944 -7.4396 -7.4396 -7.4300 -7.4300 -6.7655 -6.7655 -6.7171 -6.7171 -6.4090 -6.4090 -6.3639 -6.3639 -5.9123 -5.9123 -5.9074 -5.9074 2.3900 2.3900 2.3975 2.3975 3.1724 3.1724 3.2042 3.2042 3.2707 3.2707 3.3030 3.3030 8.0849 8.0849 8.0907 8.0907 8.5322 8.5322 8.5359 8.5359 9.5262 9.5262 k = 0.1176 0.5000-0.0000 ( 10422 PWs) bands (ev): -46.8196 -46.8196 -46.8196 -46.8196 -22.5765 -22.5765 -22.5765 -22.5765 -18.8820 -18.8820 -18.8814 -18.8814 -18.7123 -18.7123 -18.7105 -18.7105 -18.6947 -18.6947 -18.6934 -18.6934 -7.4380 -7.4380 -7.4272 -7.4272 -6.7665 -6.7665 -6.7114 -6.7114 -6.4141 -6.4141 -6.3624 -6.3624 -5.9188 -5.9188 -5.9131 -5.9131 2.3972 2.3972 2.4055 2.4055 3.1654 3.1654 3.1996 3.1996 3.2637 3.2637 3.2985 3.2985 8.0728 8.0728 8.0787 8.0787 8.5203 8.5203 8.5248 8.5248 9.5665 9.5665 k = 0.1324 0.5000-0.0000 ( 10418 PWs) bands (ev): -46.8196 -46.8196 -46.8196 -46.8196 -22.5764 -22.5764 -22.5764 -22.5764 -18.8822 -18.8822 -18.8816 -18.8816 -18.7132 -18.7132 -18.7113 -18.7113 -18.6937 -18.6937 -18.6925 -18.6925 -7.4361 -7.4361 -7.4242 -7.4242 -6.7672 -6.7672 -6.7054 -6.7054 -6.4194 -6.4194 -6.3612 -6.3612 -5.9261 -5.9261 -5.9194 -5.9194 2.4051 2.4051 2.4141 2.4141 3.1580 3.1580 3.1935 3.1935 3.2573 3.2573 3.2936 3.2936 8.0594 8.0594 8.0655 8.0655 8.5079 8.5079 8.5134 8.5134 9.6125 9.6125 k = 0.1471 0.5000-0.0000 ( 10402 PWs) bands (ev): -46.8196 -46.8196 -46.8196 -46.8196 -22.5762 -22.5762 -22.5762 -22.5762 -18.8824 -18.8824 -18.8817 -18.8817 -18.7140 -18.7140 -18.7121 -18.7121 -18.6927 -18.6927 -18.6915 -18.6915 -7.4340 -7.4340 -7.4210 -7.4210 -6.7674 -6.7674 -6.6989 -6.6989 -6.4250 -6.4250 -6.3601 -6.3601 -5.9340 -5.9340 -5.9265 -5.9265 2.4136 2.4136 2.4232 2.4232 3.1503 3.1503 3.1858 3.1858 3.2517 3.2517 3.2882 3.2882 8.0450 8.0450 8.0511 8.0511 8.4953 8.4953 8.5018 8.5018 9.6638 9.6638 k = 0.1618 0.5000-0.0000 ( 10398 PWs) bands (ev): -46.8195 -46.8195 -46.8195 -46.8195 -22.5761 -22.5761 -22.5761 -22.5761 -18.8826 -18.8826 -18.8819 -18.8819 -18.7148 -18.7148 -18.7130 -18.7130 -18.6917 -18.6917 -18.6906 -18.6906 -7.4317 -7.4317 -7.4177 -7.4177 -6.7672 -6.7672 -6.6922 -6.6922 -6.4308 -6.4308 -6.3592 -6.3592 -5.9427 -5.9427 -5.9341 -5.9341 2.4225 2.4225 2.4326 2.4326 3.1424 3.1424 3.1769 3.1769 3.2469 3.2469 3.2826 3.2826 8.0301 8.0301 8.0360 8.0360 8.4823 8.4823 8.4898 8.4898 9.7200 9.7200 k = 0.1765 0.5000-0.0000 ( 10404 PWs) bands (ev): -46.8196 -46.8196 -46.8196 -46.8196 -22.5759 -22.5759 -22.5759 -22.5759 -18.8829 -18.8829 -18.8822 -18.8822 -18.7156 -18.7156 -18.7138 -18.7138 -18.6908 -18.6908 -18.6897 -18.6897 -7.4293 -7.4293 -7.4143 -7.4143 -6.7665 -6.7665 -6.6851 -6.6851 -6.4367 -6.4367 -6.3584 -6.3584 -5.9521 -5.9521 -5.9424 -5.9424 2.4317 2.4317 2.4420 2.4420 3.1345 3.1345 3.1670 3.1670 3.2427 3.2427 3.2767 3.2767 8.0148 8.0148 8.0204 8.0204 8.4689 8.4689 8.4774 8.4774 9.7808 9.7808 k = 0.1912 0.5000-0.0000 ( 10406 PWs) bands (ev): -46.8196 -46.8196 -46.8196 -46.8196 -22.5758 -22.5758 -22.5758 -22.5758 -18.8831 -18.8831 -18.8824 -18.8824 -18.7164 -18.7164 -18.7146 -18.7146 -18.6898 -18.6898 -18.6888 -18.6888 -7.4267 -7.4267 -7.4109 -7.4109 -6.7653 -6.7653 -6.6776 -6.6776 -6.4428 -6.4428 -6.3577 -6.3577 -5.9621 -5.9621 -5.9512 -5.9512 2.4410 2.4410 2.4514 2.4514 3.1268 3.1268 3.1567 3.1567 3.2391 3.2391 3.2707 3.2707 7.9997 7.9997 8.0049 8.0049 8.4549 8.4549 8.4644 8.4644 9.8457 9.8457 k = 0.2059 0.5000-0.0000 ( 10400 PWs) bands (ev): -46.8195 -46.8195 -46.8195 -46.8195 -22.5756 -22.5756 -22.5756 -22.5756 -18.8834 -18.8834 -18.8826 -18.8826 -18.7171 -18.7171 -18.7153 -18.7153 -18.6889 -18.6889 -18.6879 -18.6879 -7.4239 -7.4239 -7.4075 -7.4075 -6.7636 -6.7636 -6.6697 -6.6697 -6.4491 -6.4491 -6.3572 -6.3572 -5.9726 -5.9726 -5.9605 -5.9605 2.4502 2.4502 2.4606 2.4606 3.1194 3.1194 3.1461 3.1461 3.2357 3.2357 3.2646 3.2646 7.9849 7.9849 7.9896 7.9896 8.4403 8.4403 8.4507 8.4507 9.9141 9.9141 k = 0.2206 0.5000-0.0000 ( 10400 PWs) bands (ev): -46.8195 -46.8195 -46.8195 -46.8195 -22.5754 -22.5754 -22.5754 -22.5754 -18.8836 -18.8836 -18.8829 -18.8829 -18.7178 -18.7178 -18.7161 -18.7161 -18.6880 -18.6880 -18.6871 -18.6871 -7.4211 -7.4211 -7.4041 -7.4041 -6.7614 -6.7614 -6.6614 -6.6614 -6.4555 -6.4555 -6.3567 -6.3567 -5.9837 -5.9837 -5.9703 -5.9703 2.4592 2.4592 2.4695 2.4695 3.1124 3.1124 3.1358 3.1358 3.2325 3.2325 3.2585 3.2585 7.9708 7.9708 7.9750 7.9750 8.4249 8.4249 8.4363 8.4363 9.9855 9.9855 k = 0.2353 0.5000-0.0000 ( 10396 PWs) bands (ev): -46.8195 -46.8195 -46.8195 -46.8195 -22.5752 -22.5752 -22.5752 -22.5752 -18.8839 -18.8839 -18.8831 -18.8831 -18.7185 -18.7185 -18.7168 -18.7168 -18.6871 -18.6871 -18.6862 -18.6862 -7.4182 -7.4182 -7.4008 -7.4008 -6.7586 -6.7586 -6.6528 -6.6528 -6.4620 -6.4620 -6.3564 -6.3564 -5.9952 -5.9952 -5.9805 -5.9805 2.4679 2.4679 2.4778 2.4778 3.1061 3.1061 3.1259 3.1259 3.2295 3.2295 3.2524 3.2524 7.9577 7.9577 7.9612 7.9612 8.4087 8.4087 8.4209 8.4209 10.0593 10.0593 k = 0.2500 0.5000-0.0000 ( 10408 PWs) bands (ev): -46.8195 -46.8195 -46.8195 -46.8195 -22.5751 -22.5751 -22.5750 -22.5750 -18.8842 -18.8842 -18.8834 -18.8834 -18.7191 -18.7191 -18.7175 -18.7175 -18.6863 -18.6863 -18.6855 -18.6855 -7.4153 -7.4153 -7.3977 -7.3977 -6.7552 -6.7552 -6.6437 -6.6437 -6.4686 -6.4686 -6.3563 -6.3563 -6.0071 -6.0071 -5.9910 -5.9910 2.4760 2.4760 2.4855 2.4855 3.1005 3.1005 3.1167 3.1167 3.2265 3.2265 3.2464 3.2464 7.9458 7.9458 7.9486 7.9486 8.3916 8.3916 8.4046 8.4046 10.1350 10.1350 k = 0.2647 0.5000-0.0000 ( 10408 PWs) bands (ev): -46.8195 -46.8195 -46.8195 -46.8195 -22.5749 -22.5749 -22.5749 -22.5749 -18.8844 -18.8844 -18.8837 -18.8837 -18.7197 -18.7197 -18.7181 -18.7181 -18.6855 -18.6855 -18.6847 -18.6847 -7.4124 -7.4124 -7.3946 -7.3946 -6.7513 -6.7513 -6.6344 -6.6344 -6.4753 -6.4753 -6.3562 -6.3562 -6.0193 -6.0193 -6.0018 -6.0018 2.4835 2.4835 2.4924 2.4924 3.0958 3.0958 3.1083 3.1083 3.2236 3.2236 3.2404 3.2404 7.9353 7.9353 7.9374 7.9374 8.3736 8.3736 8.3873 8.3873 10.2120 10.2120 k = 0.2794 0.5000-0.0000 ( 10396 PWs) bands (ev): -46.8195 -46.8195 -46.8195 -46.8195 -22.5747 -22.5747 -22.5747 -22.5747 -18.8847 -18.8847 -18.8839 -18.8839 -18.7202 -18.7202 -18.7187 -18.7187 -18.6847 -18.6847 -18.6840 -18.6840 -7.4095 -7.4095 -7.3918 -7.3918 -6.7467 -6.7467 -6.6247 -6.6247 -6.4820 -6.4820 -6.3564 -6.3564 -6.0317 -6.0317 -6.0127 -6.0127 2.4903 2.4903 2.4984 2.4984 3.0920 3.0920 3.1010 3.1010 3.2207 3.2207 3.2344 3.2344 7.9264 7.9264 7.9277 7.9277 8.3548 8.3548 8.3690 8.3690 10.2898 10.2898 k = 0.2941 0.5000-0.0000 ( 10414 PWs) bands (ev): -46.8195 -46.8195 -46.8195 -46.8195 -22.5745 -22.5745 -22.5745 -22.5745 -18.8849 -18.8849 -18.8842 -18.8842 -18.7208 -18.7208 -18.7193 -18.7193 -18.6841 -18.6841 -18.6834 -18.6834 -7.4066 -7.4066 -7.3891 -7.3891 -6.7416 -6.7416 -6.6147 -6.6147 -6.4887 -6.4887 -6.3567 -6.3567 -6.0442 -6.0442 -6.0239 -6.0239 2.4963 2.4963 2.5036 2.5036 3.0893 3.0893 3.0948 3.0948 3.2178 3.2178 3.2286 3.2286 7.9191 7.9191 7.9197 7.9197 8.3350 8.3350 8.3498 8.3498 10.3676 10.3676 k = 0.3088 0.5000-0.0000 ( 10418 PWs) bands (ev): -46.8195 -46.8195 -46.8195 -46.8195 -22.5743 -22.5743 -22.5743 -22.5743 -18.8852 -18.8852 -18.8845 -18.8845 -18.7212 -18.7212 -18.7199 -18.7199 -18.6834 -18.6834 -18.6827 -18.6827 -7.4038 -7.4038 -7.3867 -7.3867 -6.7358 -6.7358 -6.6047 -6.6047 -6.4952 -6.4952 -6.3574 -6.3574 -6.0566 -6.0566 -6.0350 -6.0350 2.5014 2.5014 2.5078 2.5078 3.0875 3.0875 3.0898 3.0898 3.2149 3.2149 3.2230 3.2230 7.9134 7.9134 7.9137 7.9137 8.3146 8.3146 8.3297 8.3297 10.4451 10.4451 k = 0.3235 0.5000-0.0000 ( 10414 PWs) bands (ev): -46.8195 -46.8195 -46.8195 -46.8195 -22.5742 -22.5742 -22.5742 -22.5742 -18.8854 -18.8854 -18.8847 -18.8847 -18.7217 -18.7217 -18.7204 -18.7204 -18.6827 -18.6827 -18.6821 -18.6821 -7.4011 -7.4011 -7.3845 -7.3845 -6.7295 -6.7295 -6.5946 -6.5946 -6.5015 -6.5015 -6.3583 -6.3583 -6.0689 -6.0689 -6.0461 -6.0461 2.5056 2.5056 2.5112 2.5112 3.0860 3.0860 3.0866 3.0866 3.2120 3.2120 3.2175 3.2175 7.9090 7.9090 7.9102 7.9102 8.2934 8.2934 8.3089 8.3089 10.5217 10.5217 k = 0.3382 0.5000-0.0000 ( 10418 PWs) bands (ev): -46.8195 -46.8195 -46.8195 -46.8195 -22.5740 -22.5740 -22.5740 -22.5740 -18.8856 -18.8856 -18.8850 -18.8850 -18.7221 -18.7221 -18.7209 -18.7209 -18.6821 -18.6821 -18.6816 -18.6816 -7.3984 -7.3984 -7.3826 -7.3826 -6.7227 -6.7227 -6.5851 -6.5851 -6.5071 -6.5071 -6.3597 -6.3597 -6.0809 -6.0809 -6.0572 -6.0572 2.5090 2.5090 2.5138 2.5138 3.0833 3.0833 3.0866 3.0866 3.2091 3.2091 3.2122 3.2122 7.9065 7.9065 7.9086 7.9086 8.2717 8.2717 8.2874 8.2874 10.5966 10.5966 k = 0.3529 0.5000-0.0000 ( 10428 PWs) bands (ev): -46.8195 -46.8195 -46.8195 -46.8195 -22.5739 -22.5739 -22.5739 -22.5739 -18.8858 -18.8858 -18.8852 -18.8852 -18.7225 -18.7225 -18.7214 -18.7214 -18.6815 -18.6815 -18.6811 -18.6811 -7.3959 -7.3959 -7.3810 -7.3810 -6.7153 -6.7153 -6.5766 -6.5766 -6.5115 -6.5115 -6.3615 -6.3615 -6.0923 -6.0923 -6.0680 -6.0680 2.5116 2.5116 2.5156 2.5156 3.0817 3.0817 3.0873 3.0873 3.2062 3.2062 3.2072 3.2072 7.9059 7.9059 7.9089 7.9089 8.2497 8.2497 8.2654 8.2654 10.6694 10.6694 k = 0.3676 0.5000-0.0000 ( 10428 PWs) bands (ev): -46.8195 -46.8195 -46.8195 -46.8195 -22.5737 -22.5737 -22.5737 -22.5737 -18.8860 -18.8860 -18.8854 -18.8854 -18.7228 -18.7228 -18.7218 -18.7218 -18.6810 -18.6810 -18.6806 -18.6806 -7.3935 -7.3935 -7.3796 -7.3796 -6.7074 -6.7074 -6.5704 -6.5704 -6.5134 -6.5134 -6.3640 -6.3640 -6.1031 -6.1031 -6.0785 -6.0785 2.5135 2.5135 2.5167 2.5167 3.0811 3.0811 3.0885 3.0885 3.2024 3.2024 3.2034 3.2034 7.9072 7.9072 7.9110 7.9110 8.2275 8.2275 8.2432 8.2432 10.7393 10.7393 k = 0.3824 0.5000-0.0000 ( 10420 PWs) bands (ev): -46.8195 -46.8195 -46.8195 -46.8195 -22.5736 -22.5736 -22.5736 -22.5736 -18.8862 -18.8862 -18.8857 -18.8857 -18.7230 -18.7230 -18.7221 -18.7221 -18.6806 -18.6806 -18.6802 -18.6802 -7.3912 -7.3912 -7.3785 -7.3785 -6.6991 -6.6991 -6.5678 -6.5678 -6.5117 -6.5117 -6.3672 -6.3672 -6.1130 -6.1130 -6.0886 -6.0886 2.5147 2.5147 2.5173 2.5173 3.0813 3.0813 3.0901 3.0901 3.1981 3.1981 3.2006 3.2006 7.9103 7.9103 7.9150 7.9150 8.2053 8.2053 8.2208 8.2208 10.8055 10.8055 k = 0.3971 0.5000-0.0000 ( 10428 PWs) bands (ev): -46.8195 -46.8195 -46.8195 -46.8195 -22.5735 -22.5735 -22.5735 -22.5735 -18.8863 -18.8863 -18.8859 -18.8859 -18.7233 -18.7233 -18.7225 -18.7225 -18.6802 -18.6802 -18.6798 -18.6798 -7.3891 -7.3891 -7.3776 -7.3776 -6.6904 -6.6904 -6.5692 -6.5692 -6.5060 -6.5060 -6.3712 -6.3712 -6.1218 -6.1218 -6.0983 -6.0983 2.5155 2.5155 2.5175 2.5175 3.0823 3.0823 3.0919 3.0919 3.1942 3.1942 3.1979 3.1979 7.9152 7.9152 7.9206 7.9206 8.1833 8.1833 8.1985 8.1985 10.8672 10.8672 k = 0.4118 0.5000-0.0000 ( 10432 PWs) bands (ev): -46.8195 -46.8195 -46.8195 -46.8195 -22.5734 -22.5734 -22.5734 -22.5734 -18.8864 -18.8864 -18.8860 -18.8860 -18.7235 -18.7235 -18.7228 -18.7228 -18.6798 -18.6798 -18.6795 -18.6795 -7.3871 -7.3871 -7.3770 -7.3770 -6.6814 -6.6814 -6.5738 -6.5738 -6.4972 -6.4972 -6.3762 -6.3762 -6.1294 -6.1294 -6.1073 -6.1073 2.5159 2.5159 2.5174 2.5174 3.0838 3.0838 3.0937 3.0937 3.1908 3.1908 3.1953 3.1953 7.9216 7.9216 7.9277 7.9277 8.1619 8.1619 8.1765 8.1765 10.9236 10.9236 k = 0.4265 0.5000-0.0000 ( 10418 PWs) bands (ev): -46.8195 -46.8195 -46.8195 -46.8195 -22.5733 -22.5733 -22.5733 -22.5733 -18.8865 -18.8865 -18.8862 -18.8862 -18.7236 -18.7236 -18.7230 -18.7230 -18.6795 -18.6795 -18.6792 -18.6792 -7.3852 -7.3852 -7.3767 -7.3767 -6.6721 -6.6721 -6.5803 -6.5803 -6.4866 -6.4866 -6.3823 -6.3823 -6.1355 -6.1355 -6.1156 -6.1156 2.5160 2.5160 2.5171 2.5171 3.0857 3.0857 3.0953 3.0953 3.1879 3.1879 3.1928 3.1928 7.9294 7.9294 7.9360 7.9360 8.1415 8.1415 8.1553 8.1553 10.9737 10.9737 k = 0.4412 0.5000-0.0000 ( 10412 PWs) bands (ev): -46.8195 -46.8195 -46.8195 -46.8195 -22.5732 -22.5732 -22.5732 -22.5732 -18.8866 -18.8866 -18.8863 -18.8863 -18.7237 -18.7237 -18.7233 -18.7233 -18.6792 -18.6792 -18.6790 -18.6790 -7.3835 -7.3835 -7.3766 -7.3766 -6.6627 -6.6627 -6.5879 -6.5879 -6.4750 -6.4750 -6.3894 -6.3894 -6.1402 -6.1402 -6.1232 -6.1232 2.5159 2.5159 2.5167 2.5167 3.0879 3.0879 3.0965 3.0965 3.1858 3.1858 3.1904 3.1904 7.9383 7.9383 7.9451 7.9451 8.1226 8.1226 8.1352 8.1352 11.0167 11.0167 k = 0.4559 0.5000-0.0000 ( 10414 PWs) bands (ev): -46.8195 -46.8195 -46.8195 -46.8195 -22.5732 -22.5732 -22.5732 -22.5732 -18.8866 -18.8866 -18.8864 -18.8864 -18.7238 -18.7238 -18.7235 -18.7235 -18.6790 -18.6790 -18.6789 -18.6789 -7.3820 -7.3820 -7.3768 -7.3768 -6.6530 -6.6530 -6.5963 -6.5963 -6.4631 -6.4631 -6.3975 -6.3975 -6.1432 -6.1432 -6.1297 -6.1297 2.5158 2.5158 2.5163 2.5163 3.0901 3.0901 3.0972 3.0972 3.1843 3.1843 3.1883 3.1883 7.9476 7.9476 7.9541 7.9541 8.1059 8.1059 8.1168 8.1168 11.0517 11.0517 k = 0.4706 0.5000-0.0000 ( 10412 PWs) bands (ev): -46.8195 -46.8195 -46.8195 -46.8195 -22.5731 -22.5731 -22.5731 -22.5731 -18.8866 -18.8866 -18.8865 -18.8865 -18.7238 -18.7238 -18.7236 -18.7236 -18.6788 -18.6788 -18.6788 -18.6788 -7.3807 -7.3807 -7.3771 -7.3771 -6.6433 -6.6433 -6.6052 -6.6052 -6.4510 -6.4510 -6.4067 -6.4067 -6.1446 -6.1446 -6.1353 -6.1353 2.5156 2.5156 2.5160 2.5160 3.0923 3.0923 3.0973 3.0973 3.1835 3.1835 3.1864 3.1864 7.9567 7.9567 7.9621 7.9621 8.0927 8.0927 8.1011 8.1011 11.0779 11.0779 k = 0.4853 0.5000-0.0000 ( 10400 PWs) bands (ev): -46.8195 -46.8195 -46.8195 -46.8195 -22.5731 -22.5731 -22.5731 -22.5731 -18.8866 -18.8866 -18.8866 -18.8866 -18.7238 -18.7238 -18.7237 -18.7237 -18.6787 -18.6787 -18.6787 -18.6787 -7.3795 -7.3795 -7.3777 -7.3777 -6.6336 -6.6336 -6.6145 -6.6145 -6.4392 -6.4392 -6.4168 -6.4168 -6.1444 -6.1444 -6.1397 -6.1397 2.5155 2.5155 2.5157 2.5157 3.0942 3.0942 3.0968 3.0968 3.1834 3.1834 3.1849 3.1849 7.9640 7.9640 7.9672 7.9672 8.0847 8.0847 8.0894 8.0894 11.0945 11.0956 k = 0.5000 0.5000-0.0000 ( 10384 PWs) bands (ev): -46.8195 -46.8195 -46.8195 -46.8195 -22.5731 -22.5731 -22.5731 -22.5731 -18.8866 -18.8866 -18.8866 -18.8866 -18.7238 -18.7238 -18.7238 -18.7238 -18.6786 -18.6786 -18.6786 -18.6786 -7.3785 -7.3785 -7.3785 -7.3785 -6.6240 -6.6240 -6.6240 -6.6240 -6.4277 -6.4277 -6.4277 -6.4277 -6.1427 -6.1427 -6.1427 -6.1427 2.5156 2.5156 2.5156 2.5156 3.0957 3.0957 3.0957 3.0957 3.1839 3.1839 3.1839 3.1839 7.9680 7.9680 7.9680 7.9680 8.0835 8.0835 8.0835 8.0835 11.1012 11.1012 k = 0.5000 0.5000-0.0000 ( 10384 PWs) bands (ev): -46.8195 -46.8195 -46.8195 -46.8195 -22.5731 -22.5731 -22.5731 -22.5731 -18.8866 -18.8866 -18.8866 -18.8866 -18.7238 -18.7238 -18.7238 -18.7238 -18.6786 -18.6786 -18.6786 -18.6786 -7.3785 -7.3785 -7.3785 -7.3785 -6.6240 -6.6240 -6.6240 -6.6240 -6.4277 -6.4277 -6.4277 -6.4277 -6.1427 -6.1427 -6.1427 -6.1427 2.5156 2.5156 2.5156 2.5156 3.0957 3.0957 3.0957 3.0957 3.1839 3.1839 3.1839 3.1839 7.9680 7.9680 7.9680 7.9680 8.0835 8.0835 8.0835 8.0835 11.1012 11.1012 k = 0.4896 0.4896-0.0000 ( 10400 PWs) bands (ev): -46.8195 -46.8195 -46.8195 -46.8195 -22.5731 -22.5731 -22.5731 -22.5731 -18.8866 -18.8866 -18.8866 -18.8866 -18.7238 -18.7238 -18.7237 -18.7237 -18.6787 -18.6787 -18.6786 -18.6786 -7.3795 -7.3795 -7.3777 -7.3777 -6.6336 -6.6336 -6.6145 -6.6145 -6.4392 -6.4392 -6.4168 -6.4168 -6.1445 -6.1445 -6.1396 -6.1396 2.5151 2.5151 2.5162 2.5162 3.0940 3.0940 3.0970 3.0970 3.1833 3.1833 3.1850 3.1850 7.9602 7.9602 7.9714 7.9714 8.0830 8.0830 8.0908 8.0908 11.0934 11.0934 k = 0.4792 0.4792-0.0000 ( 10416 PWs) bands (ev): -46.8196 -46.8196 -46.8195 -46.8195 -22.5732 -22.5732 -22.5730 -22.5730 -18.8867 -18.8867 -18.8865 -18.8865 -18.7239 -18.7239 -18.7236 -18.7236 -18.6789 -18.6789 -18.6787 -18.6787 -7.3806 -7.3806 -7.3771 -7.3771 -6.6433 -6.6433 -6.6052 -6.6052 -6.4511 -6.4511 -6.4067 -6.4067 -6.1450 -6.1450 -6.1349 -6.1349 2.5136 2.5136 2.5180 2.5180 3.0911 3.0911 3.0983 3.0983 3.1832 3.1832 3.1867 3.1867 7.9414 7.9414 7.9806 7.9806 8.0841 8.0841 8.1065 8.1065 11.0723 11.0723 k = 0.4688 0.4687-0.0000 ( 10424 PWs) bands (ev): -46.8196 -46.8196 -46.8195 -46.8195 -22.5734 -22.5734 -22.5729 -22.5729 -18.8867 -18.8867 -18.8864 -18.8864 -18.7238 -18.7238 -18.7235 -18.7235 -18.6791 -18.6791 -18.6787 -18.6787 -7.3819 -7.3819 -7.3768 -7.3768 -6.6530 -6.6530 -6.5964 -6.5964 -6.4631 -6.4631 -6.3974 -6.3974 -6.1445 -6.1445 -6.1285 -6.1285 2.5112 2.5112 2.5211 2.5211 3.0867 3.0867 3.1003 3.1003 3.1835 3.1835 3.1892 3.1892 7.9170 7.9170 7.9959 7.9959 8.0858 8.0858 8.1258 8.1258 11.0404 11.0404 k = 0.4583 0.4583-0.0000 ( 10432 PWs) bands (ev): -46.8196 -46.8196 -46.8195 -46.8195 -22.5737 -22.5737 -22.5728 -22.5728 -18.8868 -18.8868 -18.8862 -18.8862 -18.7238 -18.7238 -18.7232 -18.7232 -18.6795 -18.6795 -18.6787 -18.6787 -7.3833 -7.3833 -7.3767 -7.3767 -6.6625 -6.6625 -6.5882 -6.5882 -6.4751 -6.4751 -6.3889 -6.3889 -6.1431 -6.1431 -6.1205 -6.1205 2.5081 2.5081 2.5255 2.5255 3.0807 3.0807 3.1028 3.1028 3.1840 3.1840 3.1924 3.1924 7.8904 7.8904 8.0170 8.0170 8.0884 8.0884 8.1456 8.1456 11.0005 11.0005 k = 0.4479 0.4479-0.0000 ( 10430 PWs) bands (ev): -46.8196 -46.8196 -46.8195 -46.8195 -22.5740 -22.5740 -22.5726 -22.5726 -18.8868 -18.8868 -18.8859 -18.8859 -18.7238 -18.7238 -18.7229 -18.7229 -18.6799 -18.6799 -18.6788 -18.6788 -7.3848 -7.3848 -7.3769 -7.3769 -6.6719 -6.6719 -6.5807 -6.5807 -6.4866 -6.4866 -6.3814 -6.3814 -6.1410 -6.1410 -6.1111 -6.1111 2.5044 2.5044 2.5310 2.5310 3.0730 3.0730 3.1060 3.1060 3.1845 3.1845 3.1965 3.1965 7.8633 7.8633 8.0433 8.0433 8.0918 8.0918 8.1643 8.1643 10.9552 10.9552 k = 0.4375 0.4375-0.0000 ( 10426 PWs) bands (ev): -46.8197 -46.8197 -46.8194 -46.8194 -22.5744 -22.5744 -22.5724 -22.5724 -18.8869 -18.8869 -18.8856 -18.8856 -18.7237 -18.7237 -18.7226 -18.7226 -18.6805 -18.6805 -18.6788 -18.6788 -7.3863 -7.3863 -7.3773 -7.3773 -6.6811 -6.6811 -6.5744 -6.5744 -6.4973 -6.4973 -6.3746 -6.3746 -6.1382 -6.1382 -6.1003 -6.1003 2.5003 2.5003 2.5378 2.5378 3.0639 3.0639 3.1100 3.1100 3.1850 3.1850 3.2014 3.2014 7.8368 7.8368 8.0740 8.0740 8.0967 8.0967 8.1812 8.1812 10.9064 10.9064 k = 0.4271 0.4271-0.0000 ( 10438 PWs) bands (ev): -46.8197 -46.8197 -46.8194 -46.8194 -22.5748 -22.5748 -22.5721 -22.5721 -18.8870 -18.8870 -18.8853 -18.8853 -18.7236 -18.7236 -18.7222 -18.7222 -18.6811 -18.6811 -18.6789 -18.6789 -7.3879 -7.3879 -7.3779 -7.3779 -6.6900 -6.6900 -6.5696 -6.5696 -6.5067 -6.5067 -6.3687 -6.3687 -6.1347 -6.1347 -6.0884 -6.0884 2.4960 2.4960 2.5458 2.5458 3.0534 3.0534 3.1146 3.1146 3.1853 3.1853 3.2072 3.2072 7.8115 7.8115 8.0970 8.0970 8.1143 8.1143 8.1961 8.1961 10.8555 10.8555 k = 0.4167 0.4167-0.0000 ( 10444 PWs) bands (ev): -46.8198 -46.8198 -46.8193 -46.8193 -22.5754 -22.5754 -22.5719 -22.5719 -18.8871 -18.8871 -18.8848 -18.8848 -18.7235 -18.7235 -18.7218 -18.7218 -18.6818 -18.6818 -18.6790 -18.6790 -7.3894 -7.3894 -7.3788 -7.3788 -6.6986 -6.6986 -6.5671 -6.5671 -6.5139 -6.5139 -6.3634 -6.3634 -6.1306 -6.1306 -6.0758 -6.0758 2.4917 2.4917 2.5549 2.5549 3.0418 3.0418 3.1199 3.1199 3.1850 3.1850 3.2137 3.2137 7.7879 7.7879 8.1040 8.1040 8.1525 8.1525 8.2088 8.2088 10.8034 10.8034 k = 0.4062 0.4062-0.0000 ( 10434 PWs) bands (ev): -46.8198 -46.8198 -46.8193 -46.8193 -22.5759 -22.5759 -22.5716 -22.5716 -18.8871 -18.8871 -18.8844 -18.8844 -18.7233 -18.7233 -18.7213 -18.7213 -18.6826 -18.6826 -18.6790 -18.6790 -7.3909 -7.3909 -7.3798 -7.3798 -6.7069 -6.7069 -6.5674 -6.5674 -6.5185 -6.5185 -6.3587 -6.3587 -6.1260 -6.1260 -6.0626 -6.0626 2.4877 2.4877 2.5652 2.5652 3.0294 3.0294 3.1258 3.1258 3.1839 3.1839 3.2211 3.2211 7.7665 7.7665 8.1103 8.1103 8.1947 8.1947 8.2200 8.2200 10.7508 10.7508 k = 0.3958 0.3958-0.0000 ( 10446 PWs) bands (ev): -46.8199 -46.8199 -46.8192 -46.8192 -22.5766 -22.5766 -22.5712 -22.5712 -18.8873 -18.8873 -18.8839 -18.8839 -18.7232 -18.7232 -18.7207 -18.7207 -18.6834 -18.6834 -18.6791 -18.6791 -7.3924 -7.3924 -7.3810 -7.3810 -6.7148 -6.7148 -6.5704 -6.5704 -6.5203 -6.5203 -6.3545 -6.3545 -6.1209 -6.1209 -6.0490 -6.0490 2.4841 2.4841 2.5767 2.5767 3.0164 3.0164 3.1325 3.1325 3.1818 3.1818 3.2293 3.2293 7.7474 7.7474 8.1171 8.1171 8.2243 8.2243 8.2446 8.2446 10.6978 10.6978 k = 0.3854 0.3854-0.0000 ( 10444 PWs) bands (ev): -46.8200 -46.8200 -46.8191 -46.8191 -22.5773 -22.5773 -22.5708 -22.5708 -18.8874 -18.8874 -18.8834 -18.8834 -18.7231 -18.7231 -18.7201 -18.7201 -18.6843 -18.6843 -18.6791 -18.6791 -7.3938 -7.3938 -7.3821 -7.3821 -6.7224 -6.7224 -6.5753 -6.5753 -6.5202 -6.5202 -6.3508 -6.3508 -6.1155 -6.1155 -6.0354 -6.0354 2.4812 2.4812 2.5893 2.5893 3.0031 3.0031 3.1397 3.1397 3.1786 3.1786 3.2382 3.2382 7.7306 7.7306 8.1245 8.1245 8.2322 8.2322 8.2908 8.2908 10.6431 10.6431 k = 0.3750 0.3750-0.0000 ( 10436 PWs) bands (ev): -46.8200 -46.8200 -46.8191 -46.8191 -22.5781 -22.5781 -22.5704 -22.5704 -18.8875 -18.8875 -18.8828 -18.8828 -18.7229 -18.7229 -18.7194 -18.7194 -18.6854 -18.6854 -18.6791 -18.6791 -7.3954 -7.3954 -7.3832 -7.3832 -6.7295 -6.7295 -6.5811 -6.5811 -6.5192 -6.5192 -6.3474 -6.3474 -6.1097 -6.1097 -6.0219 -6.0219 2.4792 2.4792 2.6030 2.6030 2.9898 2.9898 3.1477 3.1477 3.1740 3.1740 3.2478 3.2478 7.7161 7.7161 8.1324 8.1324 8.2377 8.2377 8.3394 8.3394 10.5681 10.5681 k = 0.3646 0.3646-0.0000 ( 10432 PWs) bands (ev): -46.8201 -46.8201 -46.8190 -46.8190 -22.5789 -22.5789 -22.5700 -22.5700 -18.8877 -18.8877 -18.8822 -18.8822 -18.7228 -18.7228 -18.7187 -18.7187 -18.6864 -18.6864 -18.6792 -18.6792 -7.3970 -7.3970 -7.3840 -7.3840 -6.7363 -6.7363 -6.5869 -6.5869 -6.5179 -6.5179 -6.3444 -6.3444 -6.1037 -6.1037 -6.0086 -6.0086 2.4782 2.4782 2.6178 2.6178 2.9767 2.9767 3.1563 3.1563 3.1679 3.1679 3.2582 3.2582 7.7035 7.7035 8.1408 8.1408 8.2423 8.2423 8.3882 8.3882 10.4632 10.4632 k = 0.3542 0.3542-0.0000 ( 10424 PWs) bands (ev): -46.8202 -46.8202 -46.8189 -46.8189 -22.5797 -22.5797 -22.5695 -22.5695 -18.8878 -18.8878 -18.8816 -18.8816 -18.7226 -18.7226 -18.7179 -18.7179 -18.6875 -18.6875 -18.6792 -18.6792 -7.3988 -7.3988 -7.3845 -7.3845 -6.7425 -6.7425 -6.5924 -6.5924 -6.5168 -6.5168 -6.3417 -6.3417 -6.0977 -6.0977 -5.9957 -5.9957 2.4785 2.4785 2.6336 2.6336 2.9641 2.9641 3.1603 3.1603 3.1655 3.1655 3.2691 3.2691 7.6924 7.6924 8.1497 8.1497 8.2468 8.2468 8.4365 8.4365 10.3517 10.3517 k = 0.3438 0.3437-0.0000 ( 10420 PWs) bands (ev): -46.8203 -46.8203 -46.8188 -46.8188 -22.5806 -22.5806 -22.5691 -22.5691 -18.8880 -18.8880 -18.8809 -18.8809 -18.7224 -18.7224 -18.7171 -18.7171 -18.6886 -18.6886 -18.6793 -18.6793 -7.4007 -7.4007 -7.3846 -7.3846 -6.7484 -6.7484 -6.5974 -6.5974 -6.5161 -6.5161 -6.3392 -6.3392 -6.0917 -6.0917 -5.9834 -5.9834 2.4801 2.4801 2.6504 2.6504 2.9523 2.9523 3.1511 3.1511 3.1753 3.1753 3.2806 3.2806 7.6819 7.6819 8.1588 8.1588 8.2524 8.2524 8.4833 8.4833 10.2383 10.2383 k = 0.3333 0.3333-0.0000 ( 10414 PWs) bands (ev): -46.8204 -46.8204 -46.8187 -46.8187 -22.5816 -22.5816 -22.5685 -22.5685 -18.8882 -18.8882 -18.8803 -18.8803 -18.7222 -18.7222 -18.7163 -18.7163 -18.6897 -18.6897 -18.6793 -18.6793 -7.4029 -7.4029 -7.3841 -7.3841 -6.7537 -6.7537 -6.6017 -6.6017 -6.5158 -6.5158 -6.3370 -6.3370 -6.0859 -6.0859 -5.9717 -5.9717 2.4832 2.4832 2.6682 2.6682 2.9415 2.9415 3.1404 3.1404 3.1857 3.1857 3.2927 3.2927 7.6710 7.6710 8.1682 8.1682 8.2599 8.2599 8.5279 8.5279 10.1250 10.1250 k = 0.3229 0.3229-0.0000 ( 10410 PWs) bands (ev): -46.8205 -46.8205 -46.8186 -46.8186 -22.5825 -22.5825 -22.5680 -22.5680 -18.8883 -18.8883 -18.8796 -18.8796 -18.7220 -18.7220 -18.7154 -18.7154 -18.6909 -18.6909 -18.6793 -18.6793 -7.4052 -7.4052 -7.3832 -7.3832 -6.7585 -6.7585 -6.6052 -6.6052 -6.5160 -6.5160 -6.3351 -6.3351 -6.0805 -6.0805 -5.9606 -5.9606 2.4878 2.4878 2.6869 2.6869 2.9318 2.9318 3.1282 3.1282 3.1966 3.1966 3.3052 3.3052 7.6588 7.6588 8.1774 8.1774 8.2706 8.2706 8.5696 8.5696 10.0129 10.0129 k = 0.3125 0.3125-0.0000 ( 10416 PWs) bands (ev): -46.8206 -46.8206 -46.8185 -46.8185 -22.5836 -22.5836 -22.5675 -22.5675 -18.8886 -18.8886 -18.8789 -18.8789 -18.7219 -18.7219 -18.7145 -18.7145 -18.6921 -18.6921 -18.6793 -18.6793 -7.4076 -7.4076 -7.3817 -7.3817 -6.7628 -6.7628 -6.6081 -6.6081 -6.5166 -6.5166 -6.3334 -6.3334 -6.0756 -6.0756 -5.9504 -5.9504 2.4941 2.4941 2.7065 2.7065 2.9234 2.9234 3.1148 3.1148 3.2081 3.2081 3.3181 3.3181 7.6439 7.6439 8.1863 8.1863 8.2856 8.2856 8.6080 8.6080 9.9027 9.9027 k = 0.3021 0.3021-0.0000 ( 10420 PWs) bands (ev): -46.8207 -46.8207 -46.8184 -46.8184 -22.5846 -22.5846 -22.5669 -22.5669 -18.8888 -18.8888 -18.8783 -18.8783 -18.7217 -18.7217 -18.7136 -18.7136 -18.6934 -18.6934 -18.6793 -18.6793 -7.4099 -7.4099 -7.3796 -7.3796 -6.7665 -6.7665 -6.6101 -6.6101 -6.5176 -6.5176 -6.3320 -6.3320 -6.0712 -6.0712 -5.9410 -5.9410 2.5019 2.5019 2.7269 2.7269 2.9165 2.9165 3.1002 3.1002 3.2202 3.2202 3.3313 3.3313 7.6252 7.6252 8.1944 8.1944 8.3060 8.3060 8.6426 8.6426 9.7954 9.7954 k = 0.2917 0.2917-0.0000 ( 10428 PWs) bands (ev): -46.8208 -46.8208 -46.8183 -46.8183 -22.5857 -22.5857 -22.5664 -22.5664 -18.8890 -18.8890 -18.8776 -18.8776 -18.7215 -18.7215 -18.7127 -18.7127 -18.6946 -18.6946 -18.6793 -18.6793 -7.4122 -7.4122 -7.3771 -7.3771 -6.7696 -6.7696 -6.6115 -6.6115 -6.5189 -6.5189 -6.3308 -6.3308 -6.0676 -6.0676 -5.9324 -5.9324 2.5113 2.5113 2.7480 2.7480 2.9113 2.9113 3.0849 3.0849 3.2327 3.2327 3.3447 3.3447 7.6018 7.6018 8.2014 8.2014 8.3324 8.3324 8.6732 8.6732 9.6914 9.6914 k = 0.2812 0.2812-0.0000 ( 10438 PWs) bands (ev): -46.8209 -46.8209 -46.8182 -46.8182 -22.5867 -22.5867 -22.5658 -22.5658 -18.8893 -18.8893 -18.8770 -18.8770 -18.7214 -18.7214 -18.7118 -18.7118 -18.6958 -18.6958 -18.6793 -18.6793 -7.4144 -7.4144 -7.3741 -7.3741 -6.7722 -6.7722 -6.6121 -6.6121 -6.5206 -6.5206 -6.3300 -6.3300 -6.0648 -6.0648 -5.9248 -5.9248 2.5222 2.5222 2.7698 2.7698 2.9078 2.9078 3.0691 3.0691 3.2456 3.2456 3.3582 3.3582 7.5729 7.5729 8.2065 8.2065 8.3655 8.3655 8.6994 8.6994 9.5915 9.5915 k = 0.2708 0.2708-0.0000 ( 10426 PWs) bands (ev): -46.8210 -46.8210 -46.8181 -46.8181 -22.5878 -22.5878 -22.5652 -22.5652 -18.8896 -18.8896 -18.8763 -18.8763 -18.7213 -18.7213 -18.7108 -18.7108 -18.6970 -18.6970 -18.6792 -18.6792 -7.4165 -7.4165 -7.3707 -7.3707 -6.7742 -6.7742 -6.6120 -6.6120 -6.5224 -6.5224 -6.3296 -6.3296 -6.0629 -6.0629 -5.9179 -5.9179 2.5343 2.5343 2.7921 2.7921 2.9062 2.9062 3.0533 3.0533 3.2590 3.2590 3.3717 3.3717 7.5383 7.5383 8.2091 8.2091 8.4054 8.4054 8.7212 8.7212 9.4965 9.4965 k = 0.2604 0.2604-0.0000 ( 10436 PWs) bands (ev): -46.8211 -46.8211 -46.8180 -46.8180 -22.5889 -22.5889 -22.5646 -22.5646 -18.8899 -18.8899 -18.8757 -18.8757 -18.7213 -18.7213 -18.7099 -18.7099 -18.6982 -18.6982 -18.6791 -18.6791 -7.4183 -7.4183 -7.3668 -7.3668 -6.7755 -6.7755 -6.6113 -6.6113 -6.5244 -6.5244 -6.3296 -6.3296 -6.0620 -6.0620 -5.9120 -5.9120 2.5474 2.5474 2.8148 2.8148 2.9066 2.9066 3.0380 3.0380 3.2728 3.2728 3.3852 3.3852 7.4978 7.4978 8.2083 8.2083 8.4519 8.4519 8.7382 8.7382 9.4072 9.4072 k = 0.2500 0.2500-0.0000 ( 10416 PWs) bands (ev): -46.8212 -46.8212 -46.8179 -46.8179 -22.5901 -22.5901 -22.5640 -22.5640 -18.8902 -18.8902 -18.8750 -18.8750 -18.7212 -18.7212 -18.7089 -18.7089 -18.6993 -18.6993 -18.6789 -18.6789 -7.4198 -7.4198 -7.3626 -7.3626 -6.7762 -6.7762 -6.6100 -6.6100 -6.5265 -6.5265 -6.3301 -6.3301 -6.0622 -6.0622 -5.9069 -5.9069 2.5611 2.5611 2.8376 2.8376 2.9093 2.9093 3.0238 3.0238 3.2868 3.2868 3.3984 3.3984 7.4515 7.4515 8.2031 8.2031 8.5046 8.5046 8.7501 8.7501 9.3249 9.3249 k = 0.2396 0.2396-0.0000 ( 10420 PWs) bands (ev): -46.8213 -46.8213 -46.8178 -46.8178 -22.5912 -22.5912 -22.5635 -22.5635 -18.8905 -18.8905 -18.8744 -18.8744 -18.7212 -18.7212 -18.7080 -18.7080 -18.7004 -18.7004 -18.6787 -18.6787 -7.4211 -7.4211 -7.3579 -7.3579 -6.7763 -6.7763 -6.6082 -6.6082 -6.5286 -6.5286 -6.3311 -6.3311 -6.0634 -6.0634 -5.9026 -5.9026 2.5747 2.5747 2.8601 2.8601 2.9146 2.9146 3.0117 3.0117 3.3012 3.3012 3.4112 3.4112 7.3998 7.3998 8.1926 8.1926 8.5629 8.5629 8.7558 8.7558 9.2511 9.2511 k = 0.2292 0.2292-0.0000 ( 10428 PWs) bands (ev): -46.8214 -46.8214 -46.8177 -46.8177 -22.5923 -22.5923 -22.5629 -22.5629 -18.8909 -18.8909 -18.8738 -18.8738 -18.7212 -18.7212 -18.7071 -18.7071 -18.7015 -18.7015 -18.6785 -18.6785 -7.4220 -7.4220 -7.3530 -7.3530 -6.7757 -6.7757 -6.6057 -6.6057 -6.5307 -6.5307 -6.3327 -6.3327 -6.0658 -6.0658 -5.8991 -5.8991 2.5875 2.5875 2.8812 2.8812 2.9234 2.9234 3.0025 3.0025 3.3158 3.3158 3.4236 3.4236 7.3430 7.3430 8.1759 8.1759 8.6263 8.6263 8.7540 8.7540 9.1879 9.1879 k = 0.2188 0.2187-0.0000 ( 10442 PWs) bands (ev): -46.8215 -46.8215 -46.8176 -46.8176 -22.5934 -22.5934 -22.5623 -22.5623 -18.8913 -18.8913 -18.8732 -18.8732 -18.7213 -18.7213 -18.7062 -18.7062 -18.7025 -18.7025 -18.6782 -18.6782 -7.4227 -7.4227 -7.3479 -7.3479 -6.7744 -6.7744 -6.6028 -6.6028 -6.5327 -6.5327 -6.3348 -6.3348 -6.0693 -6.0693 -5.8963 -5.8963 2.5986 2.5986 2.8997 2.8997 2.9370 2.9370 2.9972 2.9972 3.3305 3.3305 3.4353 3.4353 7.2816 7.2816 8.1522 8.1522 8.6936 8.6936 8.7432 8.7432 9.1378 9.1378 k = 0.2083 0.2083-0.0000 ( 10434 PWs) bands (ev): -46.8216 -46.8216 -46.8175 -46.8175 -22.5945 -22.5945 -22.5617 -22.5617 -18.8916 -18.8916 -18.8726 -18.8726 -18.7215 -18.7215 -18.7054 -18.7054 -18.7033 -18.7033 -18.6779 -18.6779 -7.4229 -7.4229 -7.3425 -7.3425 -6.7724 -6.7724 -6.5994 -6.5994 -6.5346 -6.5346 -6.3377 -6.3377 -6.0739 -6.0739 -5.8942 -5.8942 2.6070 2.6070 2.9152 2.9152 2.9556 2.9556 2.9969 2.9969 3.3453 3.3453 3.4463 3.4463 7.2160 7.2160 8.1213 8.1213 8.7208 8.7208 8.7660 8.7660 9.1024 9.1024 k = 0.1979 0.1979-0.0000 ( 10434 PWs) bands (ev): -46.8217 -46.8217 -46.8174 -46.8174 -22.5955 -22.5955 -22.5612 -22.5612 -18.8919 -18.8919 -18.8721 -18.8721 -18.7216 -18.7216 -18.7046 -18.7046 -18.7041 -18.7041 -18.6776 -18.6776 -7.4229 -7.4229 -7.3371 -7.3371 -6.7696 -6.7696 -6.5955 -6.5955 -6.5362 -6.5362 -6.3413 -6.3413 -6.0796 -6.0796 -5.8927 -5.8927 2.6120 2.6120 2.9293 2.9293 2.9775 2.9775 3.0024 3.0024 3.3601 3.3601 3.4564 3.4564 7.1468 7.1468 8.0833 8.0833 8.6901 8.6901 8.8395 8.8395 9.0819 9.0819 k = 0.1875 0.1875-0.0000 ( 10438 PWs) bands (ev): -46.8218 -46.8218 -46.8173 -46.8173 -22.5966 -22.5966 -22.5606 -22.5606 -18.8923 -18.8923 -18.8716 -18.8716 -18.7219 -18.7219 -18.7048 -18.7048 -18.7039 -18.7039 -18.6772 -18.6772 -7.4224 -7.4224 -7.3315 -7.3315 -6.7661 -6.7661 -6.5913 -6.5913 -6.5376 -6.5376 -6.3456 -6.3456 -6.0864 -6.0864 -5.8918 -5.8918 2.6131 2.6131 2.9435 2.9435 3.0010 3.0010 3.0142 3.0142 3.3748 3.3748 3.4655 3.4655 7.0745 7.0745 8.0391 8.0391 8.6518 8.6518 8.9152 8.9152 9.0742 9.0742 k = 0.1771 0.1771-0.0000 ( 10430 PWs) bands (ev): -46.8219 -46.8219 -46.8172 -46.8172 -22.5976 -22.5976 -22.5601 -22.5601 -18.8927 -18.8927 -18.8711 -18.8711 -18.7222 -18.7222 -18.7055 -18.7055 -18.7031 -18.7031 -18.6768 -18.6768 -7.4217 -7.4217 -7.3259 -7.3259 -6.7619 -6.7619 -6.5869 -6.5869 -6.5386 -6.5386 -6.3508 -6.3508 -6.0943 -6.0943 -5.8914 -5.8914 2.6103 2.6103 2.9587 2.9587 3.0252 3.0252 3.0322 3.0322 3.3893 3.3893 3.4735 3.4735 6.9997 6.9997 7.9896 7.9896 8.6094 8.6094 8.9920 8.9920 9.0767 9.0767 k = 0.1667 0.1667-0.0000 ( 10441 PWs) bands (ev): -46.8220 -46.8220 -46.8171 -46.8171 -22.5986 -22.5986 -22.5596 -22.5596 -18.8930 -18.8930 -18.8707 -18.8707 -18.7225 -18.7225 -18.7060 -18.7060 -18.7026 -18.7026 -18.6763 -18.6763 -7.4206 -7.4206 -7.3204 -7.3204 -6.7568 -6.7568 -6.5823 -6.5823 -6.5391 -6.5391 -6.3567 -6.3567 -6.1032 -6.1032 -5.8913 -5.8913 2.6041 2.6041 2.9750 2.9750 3.0498 3.0498 3.0558 3.0558 3.4034 3.4034 3.4803 3.4803 6.9229 6.9229 7.9362 7.9362 8.5655 8.5655 9.0688 9.0688 9.0872 9.0872 k = 0.1562 0.1562-0.0000 ( 10421 PWs) bands (ev): -46.8221 -46.8221 -46.8170 -46.8170 -22.5995 -22.5995 -22.5591 -22.5591 -18.8933 -18.8933 -18.8702 -18.8702 -18.7228 -18.7228 -18.7064 -18.7064 -18.7020 -18.7020 -18.6758 -18.6758 -7.4192 -7.4192 -7.3151 -7.3151 -6.7509 -6.7509 -6.5778 -6.5778 -6.5389 -6.5389 -6.3634 -6.3634 -6.1129 -6.1129 -5.8916 -5.8916 2.5951 2.5951 2.9923 2.9923 3.0745 3.0745 3.0844 3.0844 3.4170 3.4170 3.4859 3.4859 6.8447 6.8447 7.8802 7.8802 8.5222 8.5222 9.1037 9.1037 9.1449 9.1449 k = 0.1458 0.1458-0.0000 ( 10425 PWs) bands (ev): -46.8222 -46.8222 -46.8169 -46.8169 -22.6004 -22.6004 -22.5586 -22.5586 -18.8937 -18.8937 -18.8698 -18.8698 -18.7233 -18.7233 -18.7068 -18.7068 -18.7015 -18.7015 -18.6753 -18.6753 -7.4176 -7.4176 -7.3099 -7.3099 -6.7442 -6.7442 -6.5736 -6.5736 -6.5378 -6.5378 -6.3709 -6.3709 -6.1236 -6.1236 -5.8921 -5.8921 2.5842 2.5842 3.0107 3.0107 3.0986 3.0986 3.1174 3.1174 3.4298 3.4298 3.4905 3.4905 6.7658 6.7658 7.8229 7.8229 8.4806 8.4806 9.1256 9.1256 9.2190 9.2190 k = 0.1354 0.1354-0.0000 ( 10425 PWs) bands (ev): -46.8223 -46.8223 -46.8169 -46.8169 -22.6013 -22.6013 -22.5581 -22.5581 -18.8941 -18.8941 -18.8695 -18.8695 -18.7237 -18.7237 -18.7070 -18.7070 -18.7011 -18.7011 -18.6748 -18.6748 -7.4158 -7.4158 -7.3049 -7.3049 -6.7368 -6.7368 -6.5701 -6.5701 -6.5354 -6.5354 -6.3792 -6.3792 -6.1351 -6.1351 -5.8929 -5.8929 2.5720 2.5720 3.0299 3.0299 3.1222 3.1222 3.1537 3.1537 3.4415 3.4415 3.4941 3.4941 6.6869 6.6869 7.7656 7.7656 8.4416 8.4416 9.1520 9.1520 9.2895 9.2895 k = 0.1250 0.1250-0.0000 ( 10427 PWs) bands (ev): -46.8224 -46.8224 -46.8168 -46.8168 -22.6021 -22.6021 -22.5577 -22.5577 -18.8944 -18.8944 -18.8691 -18.8691 -18.7241 -18.7241 -18.7073 -18.7073 -18.7007 -18.7007 -18.6743 -18.6743 -7.4137 -7.4137 -7.3003 -7.3003 -6.7285 -6.7285 -6.5675 -6.5675 -6.5315 -6.5315 -6.3882 -6.3882 -6.1472 -6.1472 -5.8937 -5.8937 2.5591 2.5591 3.0500 3.0500 3.1450 3.1450 3.1925 3.1925 3.4513 3.4513 3.4975 3.4975 6.6086 6.6086 7.7091 7.7091 8.4056 8.4056 9.1826 9.1826 9.3471 9.3471 k = 0.1146 0.1146-0.0000 ( 10431 PWs) bands (ev): -46.8225 -46.8225 -46.8167 -46.8167 -22.6028 -22.6028 -22.5573 -22.5573 -18.8947 -18.8947 -18.8688 -18.8688 -18.7246 -18.7246 -18.7075 -18.7075 -18.7003 -18.7003 -18.6738 -18.6738 -7.4116 -7.4116 -7.2959 -7.2959 -6.7195 -6.7195 -6.5659 -6.5659 -6.5262 -6.5262 -6.3977 -6.3977 -6.1600 -6.1600 -5.8947 -5.8947 2.5460 2.5460 3.0708 3.0708 3.1669 3.1669 3.2327 3.2327 3.4583 3.4583 3.5014 3.5014 6.5316 6.5316 7.6545 7.6545 8.3727 8.3727 9.2172 9.2172 9.3830 9.3830 k = 0.1042 0.1042-0.0000 ( 10425 PWs) bands (ev): -46.8225 -46.8225 -46.8166 -46.8166 -22.6035 -22.6035 -22.5569 -22.5569 -18.8950 -18.8950 -18.8685 -18.8685 -18.7250 -18.7250 -18.7076 -18.7076 -18.7000 -18.7000 -18.6732 -18.6732 -7.4093 -7.4093 -7.2919 -7.2919 -6.7098 -6.7098 -6.5650 -6.5650 -6.5197 -6.5197 -6.4077 -6.4077 -6.1733 -6.1733 -5.8956 -5.8956 2.5331 2.5331 3.0922 3.0922 3.1877 3.1877 3.2734 3.2734 3.4616 3.4616 3.5068 3.5068 6.4568 6.4568 7.6024 7.6024 8.3432 8.3432 9.2554 9.2554 9.3386 9.3386 k = 0.0938 0.0937-0.0000 ( 10425 PWs) bands (ev): -46.8226 -46.8226 -46.8166 -46.8166 -22.6042 -22.6042 -22.5566 -22.5566 -18.8953 -18.8953 -18.8682 -18.8682 -18.7254 -18.7254 -18.7077 -18.7077 -18.6997 -18.6997 -18.6727 -18.6727 -7.4070 -7.4070 -7.2883 -7.2883 -6.6994 -6.6994 -6.5648 -6.5648 -6.5125 -6.5125 -6.4180 -6.4180 -6.1869 -6.1869 -5.8965 -5.8965 2.5208 2.5208 3.1141 3.1141 3.2073 3.2073 3.3135 3.3135 3.4612 3.4612 3.5137 3.5137 6.3850 6.3850 7.5536 7.5536 8.3169 8.3169 9.2900 9.2900 9.2979 9.2979 k = 0.0833 0.0833-0.0000 ( 10429 PWs) bands (ev): -46.8226 -46.8226 -46.8165 -46.8165 -22.6048 -22.6048 -22.5563 -22.5563 -18.8956 -18.8956 -18.8680 -18.8680 -18.7259 -18.7259 -18.7078 -18.7078 -18.6995 -18.6995 -18.6722 -18.6722 -7.4048 -7.4048 -7.2851 -7.2851 -6.6885 -6.6885 -6.5651 -6.5651 -6.5049 -6.5049 -6.4282 -6.4282 -6.2007 -6.2007 -5.8974 -5.8974 2.5093 2.5093 3.1361 3.1361 3.2255 3.2255 3.3516 3.3516 3.4584 3.4584 3.5217 3.5217 6.3170 6.3170 7.5085 7.5085 8.2939 8.2939 9.2475 9.2475 9.3418 9.3418 k = 0.0729 0.0729-0.0000 ( 10429 PWs) bands (ev): -46.8227 -46.8227 -46.8165 -46.8165 -22.6053 -22.6053 -22.5560 -22.5560 -18.8958 -18.8958 -18.8678 -18.8678 -18.7262 -18.7262 -18.7079 -18.7079 -18.6993 -18.6993 -18.6718 -18.6718 -7.4026 -7.4026 -7.2823 -7.2823 -6.6771 -6.6771 -6.5658 -6.5658 -6.4975 -6.4975 -6.4379 -6.4379 -6.2145 -6.2145 -5.8982 -5.8982 2.4987 2.4987 3.1582 3.1582 3.2422 3.2422 3.3850 3.3850 3.4555 3.4555 3.5299 3.5299 6.2538 6.2538 7.4676 7.4676 8.2740 8.2740 9.2089 9.2089 9.3890 9.3890 k = 0.0625 0.0625-0.0000 ( 10431 PWs) bands (ev): -46.8227 -46.8227 -46.8164 -46.8164 -22.6058 -22.6058 -22.5558 -22.5558 -18.8960 -18.8960 -18.8676 -18.8676 -18.7266 -18.7266 -18.7079 -18.7079 -18.6992 -18.6992 -18.6714 -18.6714 -7.4006 -7.4006 -7.2798 -7.2798 -6.6653 -6.6653 -6.5669 -6.5669 -6.4913 -6.4913 -6.4460 -6.4460 -6.2280 -6.2280 -5.8989 -5.8989 2.4893 2.4893 3.1800 3.1800 3.2574 3.2574 3.4067 3.4067 3.4590 3.4590 3.5382 3.5382 6.1963 6.1963 7.4315 7.4315 8.2571 8.2571 9.1752 9.1752 9.4381 9.4381 k = 0.0521 0.0521-0.0000 ( 10431 PWs) bands (ev): -46.8228 -46.8228 -46.8164 -46.8164 -22.6061 -22.6061 -22.5556 -22.5556 -18.8962 -18.8962 -18.8675 -18.8675 -18.7268 -18.7268 -18.7079 -18.7079 -18.6991 -18.6991 -18.6711 -18.6711 -7.3989 -7.3989 -7.2778 -7.2778 -6.6533 -6.6533 -6.5686 -6.5686 -6.4883 -6.4883 -6.4506 -6.4506 -6.2408 -6.2408 -5.8995 -5.8995 2.4812 2.4812 3.2012 3.2012 3.2711 3.2711 3.4094 3.4094 3.4754 3.4754 3.5465 3.5465 6.1455 6.1455 7.4003 7.4003 8.2430 8.2430 9.1463 9.1463 9.4878 9.4878 k = 0.0417 0.0417-0.0000 ( 10431 PWs) bands (ev): -46.8228 -46.8228 -46.8164 -46.8164 -22.6065 -22.6065 -22.5554 -22.5554 -18.8963 -18.8963 -18.8674 -18.8674 -18.7270 -18.7270 -18.7080 -18.7080 -18.6990 -18.6990 -18.6708 -18.6708 -7.3973 -7.3973 -7.2762 -7.2762 -6.6414 -6.6414 -6.5711 -6.5711 -6.4898 -6.4898 -6.4504 -6.4504 -6.2527 -6.2527 -5.9000 -5.9000 2.4744 2.4744 3.2210 3.2210 3.2835 3.2835 3.4012 3.4012 3.4957 3.4957 3.5548 3.5548 6.1023 6.1023 7.3744 7.3744 8.2317 8.2317 9.1226 9.1226 9.5366 9.5366 k = 0.0312 0.0312-0.0000 ( 10427 PWs) bands (ev): -46.8228 -46.8228 -46.8163 -46.8163 -22.6067 -22.6067 -22.5553 -22.5553 -18.8964 -18.8964 -18.8673 -18.8673 -18.7272 -18.7272 -18.7080 -18.7080 -18.6989 -18.6989 -18.6706 -18.6706 -7.3961 -7.3961 -7.2749 -7.2749 -6.6297 -6.6297 -6.5745 -6.5745 -6.4944 -6.4944 -6.4467 -6.4467 -6.2630 -6.2630 -5.9004 -5.9004 2.4691 2.4691 3.2388 3.2388 3.2949 3.2949 3.3891 3.3891 3.5126 3.5126 3.5633 3.5633 6.0676 6.0676 7.3540 7.3540 8.2231 8.2231 9.1040 9.1040 9.5817 9.5817 k = 0.0208 0.0208-0.0000 ( 10431 PWs) bands (ev): -46.8229 -46.8229 -46.8163 -46.8163 -22.6069 -22.6069 -22.5552 -22.5552 -18.8965 -18.8965 -18.8673 -18.8673 -18.7273 -18.7273 -18.7080 -18.7080 -18.6989 -18.6989 -18.6704 -18.6704 -7.3951 -7.3951 -7.2740 -7.2740 -6.6187 -6.6187 -6.5790 -6.5790 -6.4992 -6.4992 -6.4423 -6.4423 -6.2711 -6.2711 -5.9007 -5.9007 2.4652 2.4652 3.2529 3.2529 3.3060 3.3060 3.3755 3.3755 3.5238 3.5238 3.5712 3.5712 6.0422 6.0422 7.3393 7.3393 8.2170 8.2170 9.0907 9.0907 9.6185 9.6185 k = 0.0104 0.0104-0.0000 ( 10433 PWs) bands (ev): -46.8229 -46.8229 -46.8163 -46.8163 -22.6070 -22.6070 -22.5551 -22.5551 -18.8966 -18.8966 -18.8672 -18.8672 -18.7274 -18.7274 -18.7080 -18.7080 -18.6989 -18.6989 -18.6703 -18.6703 -7.3946 -7.3946 -7.2735 -7.2735 -6.6094 -6.6094 -6.5842 -6.5842 -6.5026 -6.5026 -6.4391 -6.4391 -6.2763 -6.2763 -5.9009 -5.9009 2.4629 2.4629 3.2620 3.2620 3.3166 3.3166 3.3628 3.3628 3.5300 3.5300 3.5770 3.5770 6.0266 6.0266 7.3304 7.3304 8.2134 8.2134 9.0827 9.0827 9.6410 9.6410 k = 0.0000 0.0000 0.0000 ( 10441 PWs) bands (ev): -46.8229 -46.8229 -46.8163 -46.8163 -22.6071 -22.6071 -22.5551 -22.5551 -18.8965 -18.8965 -18.8673 -18.8673 -18.7274 -18.7274 -18.7080 -18.7080 -18.6989 -18.6989 -18.6703 -18.6703 -7.3944 -7.3944 -7.2733 -7.2733 -6.6048 -6.6048 -6.5874 -6.5874 -6.5038 -6.5038 -6.4379 -6.4379 -6.2781 -6.2781 -5.9009 -5.9009 2.4621 2.4621 3.2651 3.2651 3.3222 3.3222 3.3564 3.3564 3.5319 3.5319 3.5791 3.5791 6.0214 6.0214 7.3275 7.3275 8.2122 8.2122 9.0800 9.0800 9.6478 9.6478 k = 0.0000 0.0000 0.0000 ( 10441 PWs) bands (ev): -46.8229 -46.8229 -46.8163 -46.8163 -22.6071 -22.6071 -22.5551 -22.5551 -18.8965 -18.8965 -18.8673 -18.8673 -18.7274 -18.7274 -18.7080 -18.7080 -18.6989 -18.6989 -18.6703 -18.6703 -7.3944 -7.3944 -7.2733 -7.2733 -6.6048 -6.6048 -6.5874 -6.5874 -6.5038 -6.5038 -6.4379 -6.4379 -6.2781 -6.2781 -5.9009 -5.9009 2.4621 2.4621 3.2651 3.2651 3.3222 3.3222 3.3564 3.3564 3.5319 3.5319 3.5791 3.5791 6.0214 6.0214 7.3275 7.3275 8.2122 8.2122 9.0800 9.0800 9.6478 9.6478 k = 0.0000 0.0000 0.0148 ( 10441 PWs) bands (ev): -46.8229 -46.8229 -46.8163 -46.8163 -22.6071 -22.6071 -22.5551 -22.5551 -18.8966 -18.8966 -18.8672 -18.8672 -18.7274 -18.7274 -18.7080 -18.7080 -18.6989 -18.6989 -18.6703 -18.6703 -7.3944 -7.3944 -7.2736 -7.2736 -6.6092 -6.6092 -6.5836 -6.5836 -6.5038 -6.5038 -6.4368 -6.4368 -6.2781 -6.2781 -5.9008 -5.9008 2.4612 2.4612 3.2645 3.2645 3.3217 3.3217 3.3539 3.3539 3.5321 3.5321 3.5797 3.5797 6.0268 6.0268 7.3284 7.3284 8.2144 8.2144 9.0770 9.0770 9.6496 9.6496 k = 0.0000 0.0000 0.0296 ( 10433 PWs) bands (ev): -46.8229 -46.8229 -46.8163 -46.8163 -22.6071 -22.6071 -22.5551 -22.5551 -18.8966 -18.8966 -18.8672 -18.8672 -18.7274 -18.7274 -18.7080 -18.7080 -18.6988 -18.6988 -18.6703 -18.6703 -7.3944 -7.3944 -7.2747 -7.2747 -6.6178 -6.6178 -6.5769 -6.5769 -6.5038 -6.5038 -6.4335 -6.4335 -6.2781 -6.2781 -5.9004 -5.9004 2.4585 2.4585 3.2630 3.2630 3.3201 3.3201 3.3463 3.3463 3.5328 3.5328 3.5812 3.5812 6.0430 6.0430 7.3310 7.3310 8.2211 8.2211 9.0679 9.0679 9.6543 9.6543 k = 0.0000 0.0000 0.0444 ( 10425 PWs) bands (ev): -46.8229 -46.8229 -46.8163 -46.8163 -22.6071 -22.6071 -22.5551 -22.5551 -18.8966 -18.8966 -18.8671 -18.8671 -18.7274 -18.7274 -18.7080 -18.7080 -18.6988 -18.6988 -18.6703 -18.6703 -7.3944 -7.3944 -7.2765 -7.2765 -6.6273 -6.6273 -6.5706 -6.5706 -6.5038 -6.5038 -6.4280 -6.4280 -6.2782 -6.2782 -5.8998 -5.8998 2.4541 2.4541 3.2605 3.2605 3.3175 3.3175 3.3340 3.3340 3.5342 3.5342 3.5837 3.5837 6.0694 6.0694 7.3354 7.3354 8.2317 8.2317 9.0531 9.0531 9.6453 9.6453 k = 0.0000 0.0000 0.0592 ( 10413 PWs) bands (ev): -46.8229 -46.8229 -46.8163 -46.8163 -22.6071 -22.6071 -22.5551 -22.5551 -18.8966 -18.8966 -18.8671 -18.8671 -18.7274 -18.7274 -18.7080 -18.7080 -18.6988 -18.6988 -18.6702 -18.6702 -7.3943 -7.3943 -7.2788 -7.2788 -6.6370 -6.6370 -6.5652 -6.5652 -6.5038 -6.5038 -6.4205 -6.4205 -6.2782 -6.2782 -5.8990 -5.8990 2.4481 2.4481 3.2570 3.2570 3.3141 3.3141 3.3173 3.3173 3.5361 3.5361 3.5871 3.5871 6.1058 6.1058 7.3415 7.3415 8.2454 8.2454 9.0330 9.0330 9.5832 9.5832 k = 0.0000 0.0000 0.0740 ( 10421 PWs) bands (ev): -46.8229 -46.8229 -46.8163 -46.8163 -22.6071 -22.6071 -22.5551 -22.5551 -18.8966 -18.8966 -18.8672 -18.8672 -18.7274 -18.7274 -18.7080 -18.7080 -18.6988 -18.6988 -18.6702 -18.6702 -7.3943 -7.3943 -7.2818 -7.2818 -6.6464 -6.6464 -6.5612 -6.5612 -6.5037 -6.5037 -6.4111 -6.4111 -6.2782 -6.2782 -5.8979 -5.8979 2.4406 2.4406 3.2525 3.2525 3.2970 3.2970 3.3100 3.3100 3.5387 3.5387 3.5912 3.5912 6.1512 6.1512 7.3492 7.3492 8.2609 8.2609 9.0081 9.0081 9.5159 9.5159 k = 0.0000 0.0000 0.0887 ( 10421 PWs) bands (ev): -46.8229 -46.8229 -46.8163 -46.8163 -22.6071 -22.6071 -22.5551 -22.5551 -18.8966 -18.8966 -18.8672 -18.8672 -18.7274 -18.7274 -18.7080 -18.7080 -18.6988 -18.6988 -18.6702 -18.6702 -7.3942 -7.3942 -7.2853 -7.2853 -6.6555 -6.6555 -6.5583 -6.5583 -6.5037 -6.5037 -6.4002 -6.4002 -6.2783 -6.2783 -5.8968 -5.8968 2.4319 2.4319 3.2463 3.2463 3.2745 3.2745 3.3053 3.3053 3.5420 3.5420 3.5958 3.5958 6.2050 6.2050 7.3585 7.3585 8.2764 8.2764 8.9792 8.9792 9.4510 9.4510 k = 0.0000 0.0000 0.1035 ( 10405 PWs) bands (ev): -46.8229 -46.8229 -46.8163 -46.8163 -22.6071 -22.6071 -22.5550 -22.5550 -18.8966 -18.8966 -18.8671 -18.8671 -18.7274 -18.7274 -18.7080 -18.7080 -18.6988 -18.6988 -18.6702 -18.6702 -7.3941 -7.3941 -7.2893 -7.2893 -6.6641 -6.6641 -6.5566 -6.5566 -6.5036 -6.5036 -6.3880 -6.3880 -6.2783 -6.2783 -5.8955 -5.8955 2.4221 2.4221 3.2343 3.2343 3.2547 3.2547 3.3001 3.3001 3.5457 3.5457 3.6009 3.6009 6.2663 6.2663 7.3692 7.3692 8.2898 8.2898 8.9469 8.9469 9.3919 9.3919 k = 0.0000 0.0000 0.1183 ( 10421 PWs) bands (ev): -46.8229 -46.8229 -46.8163 -46.8163 -22.6071 -22.6071 -22.5550 -22.5550 -18.8966 -18.8966 -18.8671 -18.8671 -18.7274 -18.7274 -18.7080 -18.7080 -18.6988 -18.6988 -18.6702 -18.6702 -7.3940 -7.3940 -7.2936 -7.2936 -6.6722 -6.6722 -6.5557 -6.5557 -6.5035 -6.5035 -6.3750 -6.3750 -6.2784 -6.2784 -5.8942 -5.8942 2.4115 2.4115 3.2109 3.2109 3.2442 3.2442 3.2947 3.2947 3.5499 3.5499 3.6062 3.6062 6.3342 6.3342 7.3812 7.3812 8.2982 8.2982 8.9120 8.9120 9.3413 9.3413 k = 0.0000 0.0000 0.1331 ( 10421 PWs) bands (ev): -46.8229 -46.8229 -46.8163 -46.8163 -22.6071 -22.6071 -22.5550 -22.5550 -18.8966 -18.8966 -18.8672 -18.8672 -18.7274 -18.7274 -18.7080 -18.7080 -18.6988 -18.6988 -18.6703 -18.6703 -7.3938 -7.3938 -7.2982 -7.2982 -6.6796 -6.6796 -6.5556 -6.5556 -6.5035 -6.5035 -6.3615 -6.3615 -6.2785 -6.2785 -5.8929 -5.8929 2.4003 2.4003 3.1825 3.1825 3.2376 3.2376 3.2892 3.2892 3.5542 3.5542 3.6117 3.6117 6.4079 6.4079 7.3944 7.3944 8.2986 8.2986 8.8753 8.8753 9.3020 9.3020 k = 0.0000 0.0000 0.1479 ( 10429 PWs) bands (ev): -46.8229 -46.8229 -46.8163 -46.8163 -22.6072 -22.6072 -22.5550 -22.5550 -18.8965 -18.8965 -18.8672 -18.8672 -18.7274 -18.7274 -18.7080 -18.7080 -18.6988 -18.6988 -18.6703 -18.6703 -7.3936 -7.3936 -7.3030 -7.3030 -6.6864 -6.6864 -6.5560 -6.5560 -6.5034 -6.5034 -6.3478 -6.3478 -6.2786 -6.2786 -5.8917 -5.8917 2.3889 2.3889 3.1530 3.1530 3.2318 3.2318 3.2836 3.2836 3.5587 3.5587 3.6171 3.6171 6.4866 6.4866 7.4085 7.4085 8.2882 8.2882 8.8375 8.8375 9.2762 9.2762 k = 0.0000 0.0000 0.1627 ( 10437 PWs) bands (ev): -46.8229 -46.8229 -46.8163 -46.8163 -22.6072 -22.6072 -22.5550 -22.5550 -18.8966 -18.8966 -18.8672 -18.8672 -18.7274 -18.7274 -18.7080 -18.7080 -18.6988 -18.6988 -18.6703 -18.6703 -7.3932 -7.3932 -7.3078 -7.3078 -6.6925 -6.6925 -6.5568 -6.5568 -6.5033 -6.5033 -6.3342 -6.3342 -6.2786 -6.2786 -5.8905 -5.8905 2.3774 2.3774 3.1236 3.1236 3.2265 3.2265 3.2782 3.2782 3.5632 3.5632 3.6224 3.6224 6.5694 6.5694 7.4233 7.4233 8.2649 8.2649 8.7994 8.7994 9.2652 9.2652 k = 0.0000 0.0000 0.1775 ( 10477 PWs) bands (ev): -46.8229 -46.8229 -46.8163 -46.8163 -22.6072 -22.6072 -22.5550 -22.5550 -18.8967 -18.8967 -18.8672 -18.8672 -18.7275 -18.7275 -18.7081 -18.7081 -18.6989 -18.6989 -18.6703 -18.6703 -7.3929 -7.3929 -7.3127 -7.3127 -6.6980 -6.6980 -6.5578 -6.5578 -6.5033 -6.5033 -6.3210 -6.3210 -6.2787 -6.2787 -5.8894 -5.8894 2.3661 2.3661 3.0950 3.0950 3.2214 3.2214 3.2730 3.2730 3.5675 3.5675 3.6275 3.6275 6.6556 6.6556 7.4385 7.4385 8.2283 8.2283 8.7618 8.7618 9.2685 9.2685 k = 0.0000 0.0000 0.1923 ( 10485 PWs) bands (ev): -46.8229 -46.8229 -46.8163 -46.8163 -22.6072 -22.6072 -22.5549 -22.5549 -18.8967 -18.8967 -18.8673 -18.8673 -18.7275 -18.7275 -18.7081 -18.7081 -18.6989 -18.6989 -18.6703 -18.6703 -7.3924 -7.3924 -7.3174 -7.3174 -6.7028 -6.7028 -6.5590 -6.5590 -6.5032 -6.5032 -6.3085 -6.3085 -6.2788 -6.2788 -5.8885 -5.8885 2.3553 2.3553 3.0680 3.0680 3.2167 3.2167 3.2681 3.2681 3.5716 3.5716 3.6323 3.6323 6.7447 6.7447 7.4539 7.4539 8.1792 8.1792 8.7253 8.7253 9.2842 9.2842 k = 0.0000 0.0000 0.2071 ( 10481 PWs) bands (ev): -46.8229 -46.8229 -46.8163 -46.8163 -22.6072 -22.6072 -22.5549 -22.5549 -18.8967 -18.8967 -18.8672 -18.8672 -18.7275 -18.7275 -18.7081 -18.7081 -18.6989 -18.6989 -18.6703 -18.6703 -7.3919 -7.3919 -7.3220 -7.3220 -6.7070 -6.7070 -6.5603 -6.5603 -6.5031 -6.5031 -6.2968 -6.2968 -6.2788 -6.2788 -5.8877 -5.8877 2.3451 2.3451 3.0430 3.0430 3.2125 3.2125 3.2636 3.2636 3.5755 3.5755 3.6367 3.6367 6.8358 6.8358 7.4691 7.4691 8.1193 8.1193 8.6908 8.6908 9.3092 9.3092 k = 0.0000 0.0000 0.2219 ( 10453 PWs) bands (ev): -46.8229 -46.8229 -46.8163 -46.8163 -22.6072 -22.6072 -22.5549 -22.5549 -18.8966 -18.8966 -18.8672 -18.8672 -18.7275 -18.7275 -18.7081 -18.7081 -18.6988 -18.6988 -18.6703 -18.6703 -7.3913 -7.3913 -7.3262 -7.3262 -6.7106 -6.7106 -6.5615 -6.5615 -6.5031 -6.5031 -6.2862 -6.2862 -6.2789 -6.2789 -5.8871 -5.8871 2.3359 2.3359 3.0206 3.0206 3.2087 3.2087 3.2596 3.2596 3.5789 3.5789 3.6406 3.6406 6.9284 6.9284 7.4835 7.4835 8.0507 8.0507 8.6589 8.6589 9.3400 9.3400 k = 0.0000 0.0000 0.2367 ( 10465 PWs) bands (ev): -46.8229 -46.8229 -46.8163 -46.8163 -22.6072 -22.6072 -22.5549 -22.5549 -18.8966 -18.8966 -18.8672 -18.8672 -18.7275 -18.7275 -18.7081 -18.7081 -18.6989 -18.6989 -18.6703 -18.6703 -7.3907 -7.3907 -7.3300 -7.3300 -6.7136 -6.7136 -6.5626 -6.5626 -6.5030 -6.5030 -6.2789 -6.2789 -6.2769 -6.2769 -5.8866 -5.8866 2.3277 2.3277 3.0009 3.0009 3.2053 3.2053 3.2561 3.2561 3.5819 3.5819 3.6440 3.6440 7.0217 7.0217 7.4969 7.4969 7.9756 7.9756 8.6304 8.6304 9.3730 9.3730 k = 0.0000 0.0000 0.2515 ( 10462 PWs) bands (ev): -46.8229 -46.8229 -46.8163 -46.8163 -22.6073 -22.6073 -22.5549 -22.5549 -18.8966 -18.8966 -18.8672 -18.8672 -18.7275 -18.7275 -18.7080 -18.7080 -18.6989 -18.6989 -18.6703 -18.6703 -7.3902 -7.3902 -7.3333 -7.3333 -6.7161 -6.7161 -6.5636 -6.5636 -6.5030 -6.5030 -6.2790 -6.2790 -6.2690 -6.2690 -5.8862 -5.8862 2.3208 2.3208 2.9845 2.9845 3.2026 3.2026 3.2532 3.2532 3.5844 3.5844 3.6469 3.6469 7.1149 7.1149 7.5087 7.5087 7.8960 7.8960 8.6059 8.6059 9.4050 9.4050 k = 0.0000 0.0000 0.2662 ( 10470 PWs) bands (ev): -46.8229 -46.8229 -46.8163 -46.8163 -22.6073 -22.6073 -22.5549 -22.5549 -18.8966 -18.8966 -18.8673 -18.8673 -18.7275 -18.7275 -18.7080 -18.7080 -18.6989 -18.6989 -18.6704 -18.6704 -7.3896 -7.3896 -7.3360 -7.3360 -6.7180 -6.7180 -6.5645 -6.5645 -6.5029 -6.5029 -6.2790 -6.2790 -6.2628 -6.2628 -5.8859 -5.8859 2.3153 2.3153 2.9714 2.9714 3.2004 3.2004 3.2509 3.2509 3.5864 3.5864 3.6492 3.6492 7.2066 7.2066 7.5185 7.5185 7.8141 7.8141 8.5860 8.5860 9.4332 9.4332 k = 0.0000 0.0000 0.2810 ( 10474 PWs) bands (ev): -46.8229 -46.8229 -46.8163 -46.8163 -22.6073 -22.6073 -22.5549 -22.5549 -18.8966 -18.8966 -18.8673 -18.8673 -18.7275 -18.7275 -18.7080 -18.7080 -18.6989 -18.6989 -18.6704 -18.6704 -7.3892 -7.3892 -7.3381 -7.3381 -6.7193 -6.7193 -6.5651 -6.5651 -6.5029 -6.5029 -6.2791 -6.2791 -6.2582 -6.2582 -5.8858 -5.8858 2.3113 2.3113 2.9619 2.9619 3.1988 3.1988 3.2492 3.2492 3.5879 3.5879 3.6508 3.6508 7.2942 7.2942 7.5259 7.5259 7.7332 7.7332 8.5714 8.5714 9.4552 9.4552 k = 0.0000 0.0000 0.2958 ( 10462 PWs) bands (ev): -46.8229 -46.8229 -46.8163 -46.8163 -22.6073 -22.6073 -22.5549 -22.5549 -18.8966 -18.8966 -18.8672 -18.8672 -18.7275 -18.7275 -18.7080 -18.7080 -18.6989 -18.6989 -18.6703 -18.6703 -7.3889 -7.3889 -7.3393 -7.3393 -6.7201 -6.7201 -6.5654 -6.5654 -6.5029 -6.5029 -6.2791 -6.2791 -6.2554 -6.2554 -5.8857 -5.8857 2.3089 2.3089 2.9562 2.9562 3.1979 3.1979 3.2482 3.2482 3.5888 3.5888 3.6518 3.6518 7.3695 7.3695 7.5304 7.5304 7.6617 7.6617 8.5625 8.5625 9.4691 9.4691 k = 0.0000 0.0000 0.3106 ( 10446 PWs) bands (ev): -46.8229 -46.8229 -46.8163 -46.8163 -22.6073 -22.6073 -22.5549 -22.5549 -18.8966 -18.8966 -18.8672 -18.8672 -18.7275 -18.7275 -18.7080 -18.7080 -18.6988 -18.6988 -18.6703 -18.6703 -7.3888 -7.3888 -7.3397 -7.3397 -6.7204 -6.7204 -6.5656 -6.5656 -6.5029 -6.5029 -6.2791 -6.2791 -6.2545 -6.2545 -5.8856 -5.8856 2.3081 2.3081 2.9543 2.9543 3.1975 3.1975 3.2479 3.2479 3.5890 3.5890 3.6521 3.6521 7.4052 7.4052 7.5320 7.5320 7.6272 7.6272 8.5595 8.5595 9.4739 9.4739 k = 0.0000 0.0000 0.3106 ( 10446 PWs) bands (ev): -46.8229 -46.8229 -46.8163 -46.8163 -22.6073 -22.6073 -22.5549 -22.5549 -18.8966 -18.8966 -18.8672 -18.8672 -18.7275 -18.7275 -18.7080 -18.7080 -18.6988 -18.6988 -18.6703 -18.6703 -7.3888 -7.3888 -7.3397 -7.3397 -6.7204 -6.7204 -6.5656 -6.5656 -6.5029 -6.5029 -6.2791 -6.2791 -6.2545 -6.2545 -5.8856 -5.8856 2.3081 2.3081 2.9543 2.9543 3.1975 3.1975 3.2479 3.2479 3.5890 3.5890 3.6521 3.6521 7.4052 7.4052 7.5320 7.5320 7.6272 7.6272 8.5595 8.5595 9.4739 9.4739 k = 0.0000 0.0147 0.3106 ( 10466 PWs) bands (ev): -46.8229 -46.8229 -46.8163 -46.8163 -22.6072 -22.6072 -22.5549 -22.5549 -18.8966 -18.8966 -18.8673 -18.8673 -18.7275 -18.7275 -18.7080 -18.7080 -18.6989 -18.6989 -18.6704 -18.6704 -7.3894 -7.3894 -7.3395 -7.3395 -6.7210 -6.7210 -6.5657 -6.5657 -6.5023 -6.5023 -6.2870 -6.2870 -6.2460 -6.2460 -5.8856 -5.8856 2.3085 2.3085 2.9499 2.9499 3.1991 3.1991 3.2491 3.2491 3.5876 3.5876 3.6506 3.6506 7.4068 7.4068 7.5345 7.5345 7.6306 7.6306 8.5627 8.5627 9.4732 9.4732 k = 0.0000 0.0294 0.3106 ( 10458 PWs) bands (ev): -46.8229 -46.8229 -46.8163 -46.8163 -22.6071 -22.6071 -22.5550 -22.5550 -18.8965 -18.8965 -18.8673 -18.8673 -18.7274 -18.7274 -18.7080 -18.7080 -18.6989 -18.6989 -18.6705 -18.6705 -7.3911 -7.3911 -7.3388 -7.3388 -6.7229 -6.7229 -6.5660 -6.5660 -6.5006 -6.5006 -6.3007 -6.3007 -6.2307 -6.2307 -5.8854 -5.8854 2.3097 2.3097 2.9372 2.9372 3.2030 3.2030 3.2531 3.2531 3.5832 3.5832 3.6464 3.6464 7.4116 7.4116 7.5419 7.5419 7.6407 7.6407 8.5723 8.5723 9.4711 9.4711 k = 0.0000 0.0441 0.3106 ( 10452 PWs) bands (ev): -46.8229 -46.8229 -46.8163 -46.8163 -22.6069 -22.6069 -22.5550 -22.5550 -18.8964 -18.8964 -18.8673 -18.8673 -18.7272 -18.7272 -18.7080 -18.7080 -18.6989 -18.6989 -18.6707 -18.6707 -7.3938 -7.3938 -7.3377 -7.3377 -6.7259 -6.7259 -6.5665 -6.5665 -6.4979 -6.4979 -6.3146 -6.3146 -6.2140 -6.2140 -5.8852 -5.8852 2.3118 2.3118 2.9177 2.9177 3.2076 3.2076 3.2604 3.2604 3.5753 3.5753 3.6401 3.6401 7.4195 7.4195 7.5539 7.5539 7.6576 7.6576 8.5883 8.5883 9.4678 9.4678 k = 0.0000 0.0588 0.3106 ( 10442 PWs) bands (ev): -46.8228 -46.8228 -46.8164 -46.8164 -22.6067 -22.6067 -22.5552 -22.5552 -18.8963 -18.8963 -18.8674 -18.8674 -18.7270 -18.7270 -18.7080 -18.7080 -18.6990 -18.6990 -18.6709 -18.6709 -7.3973 -7.3973 -7.3365 -7.3365 -6.7299 -6.7299 -6.5674 -6.5674 -6.4944 -6.4944 -6.3279 -6.3279 -6.1968 -6.1968 -5.8848 -5.8848 2.3145 2.3145 2.8929 2.8929 3.2112 3.2112 3.2708 3.2708 3.5634 3.5634 3.6324 3.6324 7.4304 7.4304 7.5699 7.5699 7.6814 7.6814 8.6104 8.6104 9.4636 9.4636 k = 0.0000 0.0735 0.3106 ( 10442 PWs) bands (ev): -46.8228 -46.8228 -46.8164 -46.8164 -22.6064 -22.6064 -22.5554 -22.5554 -18.8961 -18.8961 -18.8675 -18.8675 -18.7268 -18.7268 -18.7080 -18.7080 -18.6991 -18.6991 -18.6712 -18.6712 -7.4014 -7.4014 -7.3353 -7.3353 -6.7347 -6.7347 -6.5686 -6.5686 -6.4901 -6.4901 -6.3401 -6.3401 -6.1794 -6.1794 -5.8843 -5.8843 2.3180 2.3180 2.8640 2.8640 3.2137 3.2137 3.2837 3.2837 3.5471 3.5471 3.6242 3.6242 7.4441 7.4441 7.5896 7.5896 7.7120 7.7120 8.6383 8.6383 9.4589 9.4589 k = 0.0000 0.0882 0.3106 ( 10438 PWs) bands (ev): -46.8227 -46.8227 -46.8164 -46.8164 -22.6060 -22.6060 -22.5556 -22.5556 -18.8960 -18.8960 -18.8677 -18.8677 -18.7265 -18.7265 -18.7080 -18.7080 -18.6992 -18.6992 -18.6715 -18.6715 -7.4060 -7.4060 -7.3343 -7.3343 -6.7402 -6.7402 -6.5703 -6.5703 -6.4854 -6.4854 -6.3509 -6.3509 -6.1619 -6.1619 -5.8836 -5.8836 2.3220 2.3220 2.8321 2.8321 3.2151 3.2151 3.2980 3.2980 3.5265 3.5265 3.6159 3.6159 7.4602 7.4602 7.6125 7.6125 7.7492 7.7492 8.6715 8.6715 9.4541 9.4541 k = 0.0000 0.1029 0.3106 ( 10436 PWs) bands (ev): -46.8227 -46.8227 -46.8165 -46.8165 -22.6055 -22.6055 -22.5558 -22.5558 -18.8957 -18.8957 -18.8678 -18.8678 -18.7261 -18.7261 -18.7079 -18.7079 -18.6993 -18.6993 -18.6720 -18.6720 -7.4109 -7.4109 -7.3336 -7.3336 -6.7462 -6.7462 -6.5726 -6.5726 -6.4804 -6.4804 -6.3603 -6.3603 -6.1445 -6.1445 -5.8828 -5.8828 2.3265 2.3265 2.7980 2.7980 3.2158 3.2158 3.3128 3.3128 3.5021 3.5021 3.6075 3.6075 7.4787 7.4787 7.6384 7.6384 7.7925 7.7925 8.7096 8.7096 9.4501 9.4501 k = 0.0000 0.1176 0.3106 ( 10444 PWs) bands (ev): -46.8227 -46.8227 -46.8165 -46.8165 -22.6050 -22.6050 -22.5561 -22.5561 -18.8955 -18.8955 -18.8680 -18.8680 -18.7257 -18.7257 -18.7080 -18.7080 -18.6994 -18.6994 -18.6724 -18.6724 -7.4161 -7.4161 -7.3333 -7.3333 -6.7525 -6.7525 -6.5755 -6.5755 -6.4754 -6.4754 -6.3678 -6.3678 -6.1273 -6.1273 -5.8819 -5.8819 2.3314 2.3314 2.7621 2.7621 3.2160 3.2160 3.3275 3.3275 3.4745 3.4745 3.5990 3.5990 7.4990 7.4990 7.6670 7.6670 7.8413 7.8413 8.7516 8.7516 9.4476 9.4476 k = 0.0000 0.1324 0.3106 ( 10448 PWs) bands (ev): -46.8226 -46.8226 -46.8166 -46.8166 -22.6044 -22.6044 -22.5564 -22.5564 -18.8952 -18.8952 -18.8683 -18.8683 -18.7253 -18.7253 -18.7080 -18.7080 -18.6996 -18.6996 -18.6730 -18.6730 -7.4214 -7.4214 -7.3334 -7.3334 -6.7588 -6.7588 -6.5791 -6.5791 -6.4706 -6.4706 -6.3734 -6.3734 -6.1103 -6.1103 -5.8808 -5.8808 2.3364 2.3364 2.7250 2.7250 3.2160 3.2160 3.3417 3.3417 3.4447 3.4447 3.5902 3.5902 7.5211 7.5211 7.6981 7.6981 7.8947 7.8947 8.7964 8.7964 9.4478 9.4478 k = 0.0000 0.1471 0.3106 ( 10456 PWs) bands (ev): -46.8225 -46.8225 -46.8167 -46.8167 -22.6037 -22.6037 -22.5568 -22.5568 -18.8949 -18.8949 -18.8685 -18.8685 -18.7248 -18.7248 -18.7080 -18.7080 -18.6998 -18.6998 -18.6736 -18.6736 -7.4268 -7.4268 -7.3341 -7.3341 -6.7652 -6.7652 -6.5835 -6.5835 -6.4662 -6.4662 -6.3770 -6.3770 -6.0937 -6.0937 -5.8795 -5.8795 2.3414 2.3414 2.6872 2.6872 3.2157 3.2157 3.3549 3.3549 3.4135 3.4135 3.5811 3.5811 7.5445 7.5445 7.7314 7.7314 7.9520 7.9520 8.8427 8.8427 9.4521 9.4521 k = 0.0000 0.1618 0.3106 ( 10452 PWs) bands (ev): -46.8224 -46.8224 -46.8167 -46.8167 -22.6030 -22.6030 -22.5572 -22.5572 -18.8946 -18.8946 -18.8687 -18.8687 -18.7243 -18.7243 -18.7079 -18.7079 -18.6999 -18.6999 -18.6743 -18.6743 -7.4322 -7.4322 -7.3354 -7.3354 -6.7714 -6.7714 -6.5886 -6.5886 -6.4621 -6.4621 -6.3787 -6.3787 -6.0775 -6.0775 -5.8780 -5.8780 2.3462 2.3462 2.6488 2.6488 3.2154 3.2154 3.3646 3.3646 3.3840 3.3840 3.5715 3.5715 7.5689 7.5689 7.7666 7.7666 8.0122 8.0122 8.8887 8.8887 9.4620 9.4620 k = 0.0000 0.1765 0.3106 ( 10458 PWs) bands (ev): -46.8224 -46.8224 -46.8168 -46.8168 -22.6022 -22.6022 -22.5577 -22.5577 -18.8943 -18.8943 -18.8690 -18.8690 -18.7237 -18.7237 -18.7079 -18.7079 -18.7001 -18.7001 -18.6750 -18.6750 -7.4376 -7.4376 -7.3372 -7.3372 -6.7773 -6.7773 -6.5945 -6.5945 -6.4584 -6.4584 -6.3787 -6.3787 -6.0617 -6.0617 -5.8763 -5.8763 2.3504 2.3504 2.6103 2.6103 3.2151 3.2151 3.3457 3.3457 3.3821 3.3821 3.5614 3.5614 7.5940 7.5940 7.8033 7.8033 8.0746 8.0746 8.9325 8.9325 9.4792 9.4792 k = 0.0000 0.1912 0.3106 ( 10450 PWs) bands (ev): -46.8223 -46.8223 -46.8169 -46.8169 -22.6014 -22.6014 -22.5581 -22.5581 -18.8939 -18.8939 -18.8694 -18.8694 -18.7230 -18.7230 -18.7079 -18.7079 -18.7003 -18.7003 -18.6758 -18.6758 -7.4429 -7.4429 -7.3397 -7.3397 -6.7828 -6.7828 -6.6010 -6.6010 -6.4549 -6.4549 -6.3771 -6.3771 -6.0465 -6.0465 -5.8745 -5.8745 2.3539 2.3539 2.5720 2.5720 3.2146 3.2146 3.3148 3.3148 3.3915 3.3915 3.5509 3.5509 7.6196 7.6196 7.8411 7.8411 8.1381 8.1381 8.9722 8.9722 9.5054 9.5054 k = 0.0000 0.2059 0.3106 ( 10438 PWs) bands (ev): -46.8222 -46.8222 -46.8170 -46.8170 -22.6005 -22.6005 -22.5587 -22.5587 -18.8934 -18.8934 -18.8697 -18.8697 -18.7223 -18.7223 -18.7079 -18.7079 -18.7005 -18.7005 -18.6766 -18.6766 -7.4480 -7.4480 -7.3428 -7.3428 -6.7879 -6.7879 -6.6080 -6.6080 -6.4516 -6.4516 -6.3745 -6.3745 -6.0318 -6.0318 -5.8724 -5.8724 2.3563 2.3563 2.5342 2.5342 3.2141 3.2141 3.2848 3.2848 3.4004 3.4004 3.5401 3.5401 7.6454 7.6454 7.8795 7.8795 8.2018 8.2018 9.0063 9.0063 9.5411 9.5411 k = 0.0000 0.2206 0.3106 ( 10444 PWs) bands (ev): -46.8221 -46.8221 -46.8171 -46.8171 -22.5996 -22.5996 -22.5592 -22.5592 -18.8930 -18.8930 -18.8701 -18.8701 -18.7216 -18.7216 -18.7078 -18.7078 -18.7008 -18.7008 -18.6775 -18.6775 -7.4530 -7.4530 -7.3466 -7.3466 -6.7924 -6.7924 -6.6155 -6.6155 -6.4482 -6.4482 -6.3711 -6.3711 -6.0177 -6.0177 -5.8701 -5.8701 2.3574 2.3574 2.4970 2.4970 3.2130 3.2130 3.2572 3.2572 3.4081 3.4081 3.5288 3.5288 7.6710 7.6710 7.9178 7.9178 8.2648 8.2648 9.0345 9.0345 9.5859 9.5859 k = 0.0000 0.2353 0.3106 ( 10440 PWs) bands (ev): -46.8220 -46.8220 -46.8172 -46.8172 -22.5986 -22.5986 -22.5599 -22.5599 -18.8925 -18.8925 -18.8705 -18.8705 -18.7208 -18.7208 -18.7078 -18.7078 -18.7010 -18.7010 -18.6784 -18.6784 -7.4576 -7.4576 -7.3509 -7.3509 -6.7963 -6.7963 -6.6233 -6.6233 -6.4446 -6.4446 -6.3672 -6.3672 -6.0042 -6.0042 -5.8677 -5.8677 2.3567 2.3567 2.4608 2.4608 3.2095 3.2095 3.2348 3.2348 3.4144 3.4144 3.5173 3.5173 7.6963 7.6963 7.9553 7.9553 8.3263 8.3263 9.0572 9.0572 9.6381 9.6381 k = 0.0000 0.2500 0.3106 ( 10428 PWs) bands (ev): -46.8219 -46.8219 -46.8173 -46.8173 -22.5976 -22.5976 -22.5605 -22.5605 -18.8919 -18.8919 -18.8709 -18.8709 -18.7199 -18.7199 -18.7077 -18.7077 -18.7012 -18.7012 -18.6794 -18.6794 -7.4621 -7.4621 -7.3559 -7.3559 -6.7995 -6.7995 -6.6314 -6.6314 -6.4409 -6.4409 -6.3632 -6.3632 -5.9913 -5.9913 -5.8651 -5.8651 2.3540 2.3540 2.4259 2.4259 3.1979 3.1979 3.2237 3.2237 3.4191 3.4191 3.5055 3.5055 7.7211 7.7211 7.9914 7.9914 8.3854 8.3854 9.0755 9.0755 9.6947 9.6947 k = 0.0000 0.2647 0.3106 ( 10432 PWs) bands (ev): -46.8218 -46.8218 -46.8174 -46.8174 -22.5965 -22.5965 -22.5612 -22.5612 -18.8914 -18.8914 -18.8713 -18.8713 -18.7190 -18.7190 -18.7076 -18.7076 -18.7015 -18.7015 -18.6804 -18.6804 -7.4661 -7.4661 -7.3613 -7.3613 -6.8020 -6.8020 -6.6395 -6.6395 -6.4369 -6.4369 -6.3592 -6.3592 -5.9790 -5.9790 -5.8624 -5.8624 2.3491 2.3491 2.3925 2.3925 3.1813 3.1813 3.2215 3.2215 3.4222 3.4222 3.4937 3.4937 7.7451 7.7451 8.0252 8.0252 8.4416 8.4416 9.0907 9.0907 9.7386 9.7386 k = 0.0000 0.2794 0.3106 ( 10428 PWs) bands (ev): -46.8217 -46.8217 -46.8175 -46.8175 -22.5954 -22.5954 -22.5619 -22.5619 -18.8909 -18.8909 -18.8718 -18.8718 -18.7181 -18.7181 -18.7075 -18.7075 -18.7018 -18.7018 -18.6815 -18.6815 -7.4699 -7.4699 -7.3672 -7.3672 -6.8039 -6.8039 -6.6478 -6.6478 -6.4326 -6.4326 -6.3555 -6.3555 -5.9674 -5.9674 -5.8596 -5.8596 2.3411 2.3411 2.3615 2.3615 3.1665 3.1665 3.2218 3.2218 3.4235 3.4235 3.4819 3.4819 7.7682 7.7682 8.0559 8.0559 8.4946 8.4946 9.1039 9.1039 9.7502 9.7502 k = 0.0000 0.2941 0.3106 ( 10422 PWs) bands (ev): -46.8215 -46.8215 -46.8176 -46.8176 -22.5943 -22.5943 -22.5627 -22.5627 -18.8903 -18.8903 -18.8723 -18.8723 -18.7172 -18.7172 -18.7074 -18.7074 -18.7020 -18.7020 -18.6826 -18.6826 -7.4732 -7.4732 -7.3736 -7.3736 -6.8050 -6.8050 -6.6561 -6.6561 -6.4281 -6.4281 -6.3520 -6.3520 -5.9563 -5.9563 -5.8569 -5.8569 2.3250 2.3250 2.3382 2.3382 3.1550 3.1550 3.2229 3.2229 3.4228 3.4228 3.4704 3.4704 7.7904 7.7904 8.0827 8.0827 8.5443 8.5443 9.1157 9.1157 9.7704 9.7704 k = 0.0000 0.3088 0.3106 ( 10418 PWs) bands (ev): -46.8214 -46.8214 -46.8177 -46.8177 -22.5931 -22.5931 -22.5635 -22.5635 -18.8897 -18.8897 -18.8728 -18.8728 -18.7161 -18.7161 -18.7073 -18.7073 -18.7023 -18.7023 -18.6837 -18.6837 -7.4761 -7.4761 -7.3803 -7.3803 -6.8055 -6.8055 -6.6644 -6.6644 -6.4234 -6.4234 -6.3490 -6.3490 -5.9457 -5.9457 -5.8542 -5.8542 2.2991 2.2991 2.3245 2.3245 3.1474 3.1474 3.2248 3.2248 3.4199 3.4199 3.4595 3.4595 7.8116 7.8116 8.1050 8.1050 8.5908 8.5908 9.1265 9.1265 9.7991 9.7991 k = 0.0000 0.3235 0.3106 ( 10410 PWs) bands (ev): -46.8213 -46.8213 -46.8178 -46.8178 -22.5919 -22.5919 -22.5643 -22.5643 -18.8891 -18.8891 -18.8733 -18.8733 -18.7151 -18.7151 -18.7072 -18.7072 -18.7025 -18.7025 -18.6848 -18.6848 -7.4785 -7.4785 -7.3872 -7.3872 -6.8052 -6.8052 -6.6726 -6.6726 -6.4186 -6.4186 -6.3465 -6.3465 -5.9358 -5.9358 -5.8517 -5.8517 2.2733 2.2733 2.3109 2.3109 3.1436 3.1436 3.2272 3.2272 3.4146 3.4146 3.4494 3.4494 7.8318 7.8318 8.1223 8.1223 8.6348 8.6348 9.1364 9.1364 9.8355 9.8355 k = 0.0000 0.3382 0.3106 ( 10402 PWs) bands (ev): -46.8211 -46.8211 -46.8180 -46.8180 -22.5907 -22.5907 -22.5652 -22.5652 -18.8884 -18.8884 -18.8738 -18.8738 -18.7141 -18.7141 -18.7071 -18.7071 -18.7028 -18.7028 -18.6860 -18.6860 -7.4804 -7.4804 -7.3944 -7.3944 -6.8043 -6.8043 -6.6808 -6.6808 -6.4135 -6.4135 -6.3445 -6.3445 -5.9263 -5.9263 -5.8494 -5.8494 2.2493 2.2493 2.2961 2.2961 3.1435 3.1435 3.2301 3.2301 3.4070 3.4070 3.4400 3.4400 7.8511 7.8511 8.1344 8.1344 8.6766 8.6766 9.1452 9.1452 9.8780 9.8780 k = 0.0000 0.3529 0.3106 ( 10392 PWs) bands (ev): -46.8210 -46.8210 -46.8181 -46.8181 -22.5895 -22.5895 -22.5661 -22.5661 -18.8878 -18.8878 -18.8744 -18.8744 -18.7130 -18.7130 -18.7070 -18.7070 -18.7030 -18.7030 -18.6872 -18.6872 -7.4818 -7.4818 -7.4016 -7.4016 -6.8028 -6.8028 -6.6888 -6.6888 -6.4084 -6.4084 -6.3432 -6.3432 -5.9173 -5.9173 -5.8474 -5.8474 2.2276 2.2276 2.2804 2.2804 3.1467 3.1467 3.2336 3.2336 3.3975 3.3975 3.4310 3.4310 7.8696 7.8696 8.1413 8.1413 8.7167 8.7167 9.1523 9.1523 9.9130 9.9130 k = 0.0000 0.3676 0.3106 ( 10398 PWs) bands (ev): -46.8209 -46.8209 -46.8182 -46.8182 -22.5883 -22.5883 -22.5671 -22.5671 -18.8871 -18.8871 -18.8750 -18.8750 -18.7119 -18.7119 -18.7069 -18.7069 -18.7033 -18.7033 -18.6885 -18.6885 -7.4827 -7.4827 -7.4089 -7.4089 -6.8006 -6.8006 -6.6967 -6.6967 -6.4032 -6.4032 -6.3424 -6.3424 -5.9089 -5.9089 -5.8458 -5.8458 2.2082 2.2082 2.2639 2.2639 3.1529 3.1529 3.2377 3.2377 3.3867 3.3867 3.4218 3.4218 7.8874 7.8874 8.1434 8.1434 8.7557 8.7557 9.1572 9.1572 9.9343 9.9343 k = 0.0000 0.3824 0.3106 ( 10390 PWs) bands (ev): -46.8207 -46.8207 -46.8184 -46.8184 -22.5870 -22.5870 -22.5681 -22.5681 -18.8865 -18.8865 -18.8756 -18.8756 -18.7108 -18.7108 -18.7067 -18.7067 -18.7035 -18.7035 -18.6897 -18.6897 -7.4831 -7.4831 -7.4162 -7.4162 -6.7979 -6.7979 -6.7045 -6.7045 -6.3979 -6.3979 -6.3421 -6.3421 -5.9009 -5.9009 -5.8445 -5.8445 2.1913 2.1913 2.2473 2.2473 3.1616 3.1616 3.2425 3.2425 3.3753 3.3753 3.4121 3.4121 7.9046 7.9046 8.1411 8.1411 8.7935 8.7935 9.1594 9.1594 9.9587 9.9587 k = 0.0000 0.3971 0.3106 ( 10390 PWs) bands (ev): -46.8206 -46.8206 -46.8185 -46.8185 -22.5858 -22.5858 -22.5691 -22.5691 -18.8858 -18.8858 -18.8762 -18.8762 -18.7097 -18.7097 -18.7065 -18.7065 -18.7037 -18.7037 -18.6910 -18.6910 -7.4828 -7.4828 -7.4234 -7.4234 -6.7947 -6.7947 -6.7122 -6.7122 -6.3927 -6.3927 -6.3425 -6.3425 -5.8933 -5.8933 -5.8438 -5.8438 2.1770 2.1770 2.2308 2.2308 3.1724 3.1724 3.2478 3.2478 3.3635 3.3635 3.4016 3.4016 7.9215 7.9215 8.1351 8.1351 8.8305 8.8305 9.1584 9.1584 9.9865 9.9865 k = 0.0000 0.4118 0.3106 ( 10392 PWs) bands (ev): -46.8204 -46.8204 -46.8187 -46.8187 -22.5845 -22.5845 -22.5701 -22.5701 -18.8851 -18.8851 -18.8768 -18.8768 -18.7086 -18.7086 -18.7062 -18.7062 -18.7039 -18.7039 -18.6923 -18.6923 -7.4820 -7.4820 -7.4303 -7.4303 -6.7910 -6.7910 -6.7196 -6.7196 -6.3875 -6.3875 -6.3435 -6.3435 -5.8862 -5.8862 -5.8436 -5.8436 2.1653 2.1653 2.2149 2.2149 3.1849 3.1849 3.2538 3.2538 3.3515 3.3515 3.3903 3.3903 7.9381 7.9381 8.1260 8.1260 8.8664 8.8664 9.1539 9.1539 10.0176 10.0176 k = 0.0000 0.4265 0.3106 ( 10382 PWs) bands (ev): -46.8203 -46.8203 -46.8188 -46.8188 -22.5832 -22.5832 -22.5712 -22.5712 -18.8844 -18.8844 -18.8775 -18.8775 -18.7077 -18.7077 -18.7059 -18.7059 -18.7040 -18.7040 -18.6936 -18.6936 -7.4807 -7.4807 -7.4370 -7.4370 -6.7868 -6.7868 -6.7269 -6.7269 -6.3824 -6.3824 -6.3450 -6.3450 -5.8797 -5.8797 -5.8439 -5.8439 2.1562 2.1562 2.2000 2.2000 3.1987 3.1987 3.2605 3.2605 3.3396 3.3396 3.3781 3.3781 7.9546 7.9546 8.1145 8.1145 8.9013 8.9013 9.1456 9.1456 10.0519 10.0519 k = 0.0000 0.4412 0.3106 ( 10388 PWs) bands (ev): -46.8202 -46.8202 -46.8190 -46.8190 -22.5820 -22.5820 -22.5723 -22.5723 -18.8837 -18.8837 -18.8782 -18.8782 -18.7070 -18.7070 -18.7055 -18.7055 -18.7039 -18.7039 -18.6949 -18.6949 -7.4787 -7.4787 -7.4435 -7.4435 -6.7823 -6.7823 -6.7341 -6.7341 -6.3774 -6.3774 -6.3470 -6.3470 -5.8736 -5.8736 -5.8448 -5.8448 2.1497 2.1497 2.1863 2.1863 3.2133 3.2133 3.2677 3.2677 3.3278 3.3278 3.3653 3.3653 7.9711 7.9711 8.1011 8.1011 8.9349 8.9349 9.1336 9.1336 10.0893 10.0893 k = 0.0000 0.4559 0.3106 ( 10392 PWs) bands (ev): -46.8200 -46.8200 -46.8191 -46.8191 -22.5807 -22.5807 -22.5735 -22.5735 -18.8830 -18.8830 -18.8789 -18.8789 -18.7066 -18.7066 -18.7054 -18.7054 -18.7034 -18.7034 -18.6962 -18.6962 -7.4761 -7.4761 -7.4495 -7.4495 -6.7773 -6.7773 -6.7410 -6.7410 -6.3726 -6.3726 -6.3495 -6.3495 -5.8680 -5.8680 -5.8463 -5.8463 2.1459 2.1459 2.1743 2.1743 3.2282 3.2282 3.2752 3.2752 3.3166 3.3166 3.3521 3.3521 7.9877 7.9877 8.0864 8.0864 8.9671 8.9671 9.1181 9.1181 10.1176 10.1176 k = 0.0000 0.4706 0.3106 ( 10406 PWs) bands (ev): -46.8199 -46.8199 -46.8193 -46.8193 -22.5795 -22.5795 -22.5746 -22.5746 -18.8823 -18.8823 -18.8796 -18.8796 -18.7063 -18.7063 -18.7055 -18.7055 -18.7024 -18.7024 -18.6975 -18.6975 -7.4730 -7.4730 -7.4552 -7.4552 -6.7720 -6.7720 -6.7477 -6.7477 -6.3680 -6.3680 -6.3524 -6.3524 -5.8629 -5.8629 -5.8484 -5.8484 2.1447 2.1447 2.1640 2.1640 3.2431 3.2431 3.2815 3.2815 3.3074 3.3074 3.3389 3.3389 8.0043 8.0043 8.0707 8.0707 8.9977 8.9977 9.0993 9.0993 10.1418 10.1418 k = 0.0000 0.4853 0.3106 ( 10388 PWs) bands (ev): -46.8197 -46.8197 -46.8194 -46.8194 -22.5782 -22.5782 -22.5758 -22.5758 -18.8816 -18.8816 -18.8802 -18.8802 -18.7060 -18.7060 -18.7056 -18.7056 -18.7012 -18.7012 -18.6988 -18.6988 -7.4693 -7.4693 -7.4604 -7.4604 -6.7663 -6.7663 -6.7542 -6.7542 -6.3636 -6.3636 -6.3558 -6.3558 -5.8584 -5.8584 -5.8512 -5.8512 2.1459 2.1459 2.1557 2.1557 3.2573 3.2573 3.2803 3.2803 3.3064 3.3064 3.3261 3.3261 8.0211 8.0211 8.0544 8.0544 9.0265 9.0265 9.0776 9.0776 10.1638 10.1638 k = 0.0000 0.5000 0.3106 ( 10388 PWs) bands (ev): -46.8196 -46.8196 -46.8196 -46.8196 -22.5770 -22.5770 -22.5770 -22.5770 -18.8809 -18.8809 -18.8809 -18.8809 -18.7058 -18.7058 -18.7058 -18.7058 -18.7000 -18.7000 -18.7000 -18.7000 -7.4651 -7.4651 -7.4651 -7.4651 -6.7604 -6.7604 -6.7604 -6.7604 -6.3595 -6.3595 -6.3595 -6.3595 -5.8545 -5.8545 -5.8545 -5.8545 2.1497 2.1497 2.1497 2.1497 3.2704 3.2704 3.2704 3.2704 3.3145 3.3145 3.3145 3.3145 8.0378 8.0378 8.0378 8.0378 9.0532 9.0532 9.0532 9.0532 10.1817 10.1817 k = 0.0000 0.5000 0.3106 ( 10388 PWs) bands (ev): -46.8196 -46.8196 -46.8196 -46.8196 -22.5770 -22.5770 -22.5770 -22.5770 -18.8809 -18.8809 -18.8809 -18.8809 -18.7058 -18.7058 -18.7058 -18.7058 -18.7000 -18.7000 -18.7000 -18.7000 -7.4651 -7.4651 -7.4651 -7.4651 -6.7604 -6.7604 -6.7604 -6.7604 -6.3595 -6.3595 -6.3595 -6.3595 -5.8545 -5.8545 -5.8545 -5.8545 2.1497 2.1497 2.1497 2.1497 3.2704 3.2704 3.2704 3.2704 3.3145 3.3145 3.3145 3.3145 8.0378 8.0378 8.0378 8.0378 9.0532 9.0532 9.0532 9.0532 10.1817 10.1817 k = 0.0147 0.5000 0.3106 ( 10388 PWs) bands (ev): -46.8196 -46.8196 -46.8196 -46.8196 -22.5770 -22.5770 -22.5770 -22.5770 -18.8810 -18.8810 -18.8809 -18.8809 -18.7063 -18.7063 -18.7057 -18.7057 -18.7001 -18.7001 -18.6995 -18.6995 -7.4656 -7.4656 -7.4642 -7.4642 -6.7639 -6.7639 -6.7567 -6.7567 -6.3634 -6.3634 -6.3560 -6.3560 -5.8556 -5.8556 -5.8541 -5.8541 2.1502 2.1502 2.1504 2.1504 3.2687 3.2687 3.2711 3.2711 3.3135 3.3135 3.3143 3.3143 8.0385 8.0385 8.0399 8.0399 9.0541 9.0541 9.0547 9.0547 10.1661 10.1661 k = 0.0294 0.5000 0.3106 ( 10400 PWs) bands (ev): -46.8196 -46.8196 -46.8196 -46.8196 -22.5770 -22.5770 -22.5770 -22.5770 -18.8810 -18.8810 -18.8809 -18.8809 -18.7070 -18.7070 -18.7059 -18.7059 -18.6999 -18.6999 -18.6989 -18.6989 -7.4657 -7.4657 -7.4630 -7.4630 -6.7672 -6.7672 -6.7529 -6.7529 -6.3677 -6.3677 -6.3527 -6.3527 -5.8574 -5.8574 -5.8545 -5.8545 2.1519 2.1519 2.1522 2.1522 3.2660 3.2660 3.2710 3.2710 3.3113 3.3113 3.3130 3.3130 8.0420 8.0420 8.0448 8.0448 9.0573 9.0573 9.0587 9.0587 10.1364 10.1364 k = 0.0441 0.5000 0.3106 ( 10392 PWs) bands (ev): -46.8196 -46.8196 -46.8196 -46.8196 -22.5769 -22.5769 -22.5769 -22.5769 -18.8811 -18.8811 -18.8809 -18.8809 -18.7078 -18.7078 -18.7064 -18.7064 -18.6993 -18.6993 -18.6981 -18.6981 -7.4654 -7.4654 -7.4613 -7.4613 -6.7703 -6.7703 -6.7489 -6.7489 -6.3722 -6.3722 -6.3499 -6.3499 -5.8600 -5.8600 -5.8555 -5.8555 2.1547 2.1547 2.1553 2.1553 3.2622 3.2622 3.2700 3.2700 3.3079 3.3079 3.3108 3.3108 8.0483 8.0483 8.0524 8.0524 9.0629 9.0629 9.0648 9.0648 10.1030 10.1030 k = 0.0588 0.5000 0.3106 ( 10388 PWs) bands (ev): -46.8196 -46.8196 -46.8196 -46.8196 -22.5769 -22.5769 -22.5769 -22.5769 -18.8812 -18.8812 -18.8809 -18.8809 -18.7087 -18.7087 -18.7071 -18.7071 -18.6985 -18.6985 -18.6972 -18.6972 -7.4647 -7.4647 -7.4592 -7.4592 -6.7733 -6.7733 -6.7447 -6.7447 -6.3771 -6.3771 -6.3473 -6.3473 -5.8632 -5.8632 -5.8573 -5.8573 2.1587 2.1587 2.1595 2.1595 3.2571 3.2571 3.2681 3.2681 3.3034 3.3034 3.3079 3.3079 8.0572 8.0572 8.0627 8.0627 9.0706 9.0706 9.0731 9.0731 10.0688 10.0688 k = 0.0735 0.5000 0.3106 ( 10416 PWs) bands (ev): -46.8196 -46.8196 -46.8196 -46.8196 -22.5768 -22.5768 -22.5768 -22.5768 -18.8814 -18.8814 -18.8811 -18.8811 -18.7096 -18.7096 -18.7079 -18.7079 -18.6977 -18.6977 -18.6963 -18.6963 -7.4637 -7.4637 -7.4569 -7.4569 -6.7760 -6.7760 -6.7403 -6.7403 -6.3823 -6.3823 -6.3451 -6.3451 -5.8672 -5.8672 -5.8598 -5.8598 2.1638 2.1638 2.1649 2.1649 3.2506 3.2506 3.2651 3.2651 3.2980 3.2980 3.3045 3.3045 8.0685 8.0685 8.0754 8.0754 9.0801 9.0801 9.0831 9.0831 10.0349 10.0349 k = 0.0882 0.5000 0.3106 ( 10408 PWs) bands (ev): -46.8196 -46.8196 -46.8196 -46.8196 -22.5767 -22.5767 -22.5767 -22.5767 -18.8816 -18.8816 -18.8812 -18.8812 -18.7105 -18.7105 -18.7087 -18.7087 -18.6967 -18.6967 -18.6953 -18.6953 -7.4622 -7.4622 -7.4541 -7.4541 -6.7785 -6.7785 -6.7358 -6.7358 -6.3878 -6.3878 -6.3432 -6.3432 -5.8719 -5.8719 -5.8629 -5.8629 2.1699 2.1699 2.1713 2.1713 3.2426 3.2426 3.2608 3.2608 3.2922 3.2922 3.3008 3.3008 8.0822 8.0822 8.0903 8.0903 9.0914 9.0914 9.0947 9.0947 10.0016 10.0016 k = 0.1029 0.5000 0.3106 ( 10416 PWs) bands (ev): -46.8196 -46.8196 -46.8196 -46.8196 -22.5766 -22.5766 -22.5766 -22.5766 -18.8818 -18.8818 -18.8813 -18.8813 -18.7114 -18.7114 -18.7096 -18.7096 -18.6957 -18.6957 -18.6944 -18.6944 -7.4605 -7.4605 -7.4511 -7.4511 -6.7807 -6.7807 -6.7311 -6.7311 -6.3935 -6.3935 -6.3416 -6.3416 -5.8772 -5.8772 -5.8667 -5.8667 2.1770 2.1770 2.1788 2.1788 3.2331 3.2331 3.2548 3.2548 3.2864 3.2864 3.2970 3.2970 8.0979 8.0979 8.1073 8.1073 9.1039 9.1039 9.1075 9.1075 9.9691 9.9691 k = 0.1176 0.5000 0.3106 ( 10420 PWs) bands (ev): -46.8196 -46.8196 -46.8196 -46.8196 -22.5765 -22.5765 -22.5765 -22.5765 -18.8820 -18.8820 -18.8814 -18.8814 -18.7123 -18.7123 -18.7105 -18.7105 -18.6947 -18.6947 -18.6934 -18.6934 -7.4584 -7.4584 -7.4478 -7.4478 -6.7826 -6.7826 -6.7262 -6.7262 -6.3996 -6.3996 -6.3404 -6.3404 -5.8831 -5.8831 -5.8712 -5.8712 2.1851 2.1851 2.1873 2.1873 3.2222 3.2222 3.2470 3.2470 3.2808 3.2808 3.2930 3.2930 8.1155 8.1155 8.1261 8.1261 9.1174 9.1174 9.1212 9.1212 9.9373 9.9373 k = 0.1324 0.5000 0.3106 ( 10416 PWs) bands (ev): -46.8196 -46.8196 -46.8196 -46.8196 -22.5764 -22.5764 -22.5764 -22.5764 -18.8822 -18.8822 -18.8816 -18.8816 -18.7132 -18.7132 -18.7113 -18.7113 -18.6937 -18.6937 -18.6925 -18.6925 -7.4560 -7.4560 -7.4443 -7.4443 -6.7842 -6.7842 -6.7211 -6.7211 -6.4058 -6.4058 -6.3394 -6.3394 -5.8897 -5.8897 -5.8763 -5.8763 2.1940 2.1940 2.1967 2.1967 3.2100 3.2100 3.2373 3.2373 3.2757 3.2757 3.2889 3.2889 8.1346 8.1346 8.1464 8.1464 9.1315 9.1315 9.1355 9.1355 9.9061 9.9061 k = 0.1471 0.5000 0.3106 ( 10400 PWs) bands (ev): -46.8196 -46.8196 -46.8196 -46.8196 -22.5762 -22.5762 -22.5762 -22.5762 -18.8824 -18.8824 -18.8817 -18.8817 -18.7140 -18.7140 -18.7121 -18.7121 -18.6927 -18.6927 -18.6915 -18.6915 -7.4534 -7.4534 -7.4405 -7.4405 -6.7855 -6.7855 -6.7157 -6.7157 -6.4123 -6.4123 -6.3387 -6.3387 -5.8969 -5.8969 -5.8819 -5.8819 2.2037 2.2037 2.2069 2.2069 3.1966 3.1966 3.2261 3.2261 3.2709 3.2709 3.2848 3.2848 8.1551 8.1551 8.1678 8.1678 9.1460 9.1460 9.1501 9.1501 9.8754 9.8754 k = 0.1618 0.5000 0.3106 ( 10396 PWs) bands (ev): -46.8195 -46.8195 -46.8195 -46.8195 -22.5761 -22.5761 -22.5761 -22.5761 -18.8826 -18.8826 -18.8819 -18.8819 -18.7148 -18.7148 -18.7130 -18.7130 -18.6917 -18.6917 -18.6906 -18.6906 -7.4505 -7.4505 -7.4366 -7.4366 -6.7864 -6.7864 -6.7101 -6.7101 -6.4189 -6.4189 -6.3384 -6.3384 -5.9046 -5.9046 -5.8882 -5.8882 2.2141 2.2141 2.2180 2.2180 3.1823 3.1823 3.2136 3.2136 3.2663 3.2663 3.2806 3.2806 8.1766 8.1766 8.1902 8.1902 9.1605 9.1605 9.1649 9.1649 9.8451 9.8451 k = 0.1765 0.5000 0.3106 ( 10400 PWs) bands (ev): -46.8195 -46.8195 -46.8195 -46.8195 -22.5759 -22.5759 -22.5759 -22.5759 -18.8829 -18.8829 -18.8822 -18.8822 -18.7156 -18.7156 -18.7138 -18.7138 -18.6908 -18.6908 -18.6897 -18.6897 -7.4474 -7.4474 -7.4326 -7.4326 -6.7868 -6.7868 -6.7043 -6.7043 -6.4258 -6.4258 -6.3383 -6.3383 -5.9129 -5.9129 -5.8949 -5.8949 2.2252 2.2252 2.2296 2.2296 3.1672 3.1672 3.2001 3.2001 3.2617 3.2617 3.2762 3.2762 8.1989 8.1989 8.2132 8.2132 9.1749 9.1749 9.1796 9.1796 9.8150 9.8150 k = 0.1912 0.5000 0.3106 ( 10412 PWs) bands (ev): -46.8196 -46.8196 -46.8196 -46.8196 -22.5757 -22.5757 -22.5757 -22.5757 -18.8831 -18.8831 -18.8824 -18.8824 -18.7164 -18.7164 -18.7146 -18.7146 -18.6898 -18.6898 -18.6888 -18.6888 -7.4442 -7.4442 -7.4285 -7.4285 -6.7869 -6.7869 -6.6982 -6.6982 -6.4328 -6.4328 -6.3385 -6.3385 -5.9216 -5.9216 -5.9021 -5.9021 2.2367 2.2367 2.2419 2.2419 3.1516 3.1516 3.1859 3.1859 3.2571 3.2571 3.2717 3.2717 8.2216 8.2216 8.2365 8.2365 9.1890 9.1890 9.1944 9.1944 9.7853 9.7853 k = 0.2059 0.5000 0.3106 ( 10412 PWs) bands (ev): -46.8196 -46.8196 -46.8196 -46.8196 -22.5756 -22.5756 -22.5756 -22.5756 -18.8834 -18.8834 -18.8826 -18.8826 -18.7171 -18.7171 -18.7153 -18.7153 -18.6889 -18.6889 -18.6879 -18.6879 -7.4408 -7.4408 -7.4244 -7.4244 -6.7864 -6.7864 -6.6919 -6.6919 -6.4398 -6.4398 -6.3390 -6.3390 -5.9307 -5.9307 -5.9098 -5.9098 2.2487 2.2487 2.2547 2.2547 3.1357 3.1357 3.1712 3.1712 3.2524 3.2524 3.2671 3.2671 8.2446 8.2446 8.2597 8.2597 9.2026 9.2026 9.2090 9.2090 9.7564 9.7564 k = 0.2206 0.5000 0.3106 ( 10408 PWs) bands (ev): -46.8195 -46.8195 -46.8195 -46.8195 -22.5754 -22.5754 -22.5754 -22.5754 -18.8837 -18.8837 -18.8829 -18.8829 -18.7178 -18.7178 -18.7161 -18.7161 -18.6880 -18.6880 -18.6871 -18.6871 -7.4373 -7.4373 -7.4203 -7.4203 -6.7854 -6.7854 -6.6853 -6.6853 -6.4470 -6.4470 -6.3398 -6.3398 -5.9402 -5.9402 -5.9179 -5.9179 2.2610 2.2610 2.2678 2.2678 3.1195 3.1195 3.1562 3.1562 3.2476 3.2476 3.2623 3.2623 8.2675 8.2675 8.2827 8.2827 9.2156 9.2156 9.2235 9.2235 9.7288 9.7288 k = 0.2353 0.5000 0.3106 ( 10408 PWs) bands (ev): -46.8195 -46.8195 -46.8195 -46.8195 -22.5752 -22.5752 -22.5752 -22.5752 -18.8839 -18.8839 -18.8831 -18.8831 -18.7185 -18.7185 -18.7168 -18.7168 -18.6872 -18.6872 -18.6863 -18.6863 -7.4338 -7.4338 -7.4162 -7.4162 -6.7838 -6.7838 -6.6785 -6.6785 -6.4542 -6.4542 -6.3409 -6.3409 -5.9499 -5.9499 -5.9263 -5.9263 2.2736 2.2736 2.2812 2.2812 3.1033 3.1033 3.1410 3.1410 3.2427 3.2427 3.2575 3.2575 8.2901 8.2901 8.3052 8.3052 9.2274 9.2274 9.2375 9.2375 9.7033 9.7033 k = 0.2500 0.5000 0.3106 ( 10400 PWs) bands (ev): -46.8195 -46.8195 -46.8195 -46.8195 -22.5750 -22.5750 -22.5750 -22.5750 -18.8842 -18.8842 -18.8834 -18.8834 -18.7191 -18.7191 -18.7175 -18.7175 -18.6863 -18.6863 -18.6855 -18.6855 -7.4302 -7.4302 -7.4123 -7.4123 -6.7817 -6.7817 -6.6715 -6.6715 -6.4614 -6.4614 -6.3423 -6.3423 -5.9598 -5.9598 -5.9350 -5.9350 2.2864 2.2864 2.2948 2.2948 3.0872 3.0872 3.1258 3.1258 3.2377 3.2377 3.2524 3.2524 8.3123 8.3123 8.3270 8.3270 9.2375 9.2375 9.2505 9.2505 9.6810 9.6810 k = 0.2647 0.5000 0.3106 ( 10408 PWs) bands (ev): -46.8195 -46.8195 -46.8195 -46.8195 -22.5749 -22.5749 -22.5749 -22.5749 -18.8844 -18.8844 -18.8837 -18.8837 -18.7197 -18.7197 -18.7181 -18.7181 -18.6855 -18.6855 -18.6847 -18.6847 -7.4266 -7.4266 -7.4085 -7.4085 -6.7790 -6.7790 -6.6643 -6.6643 -6.4685 -6.4685 -6.3441 -6.3441 -5.9698 -5.9698 -5.9440 -5.9440 2.2992 2.2992 2.3085 2.3085 3.0714 3.0714 3.1107 3.1107 3.2327 3.2327 3.2473 3.2473 8.3338 8.3338 8.3479 8.3479 9.2452 9.2452 9.2617 9.2617 9.6635 9.6635 k = 0.2794 0.5000 0.3106 ( 10408 PWs) bands (ev): -46.8195 -46.8195 -46.8195 -46.8195 -22.5747 -22.5747 -22.5747 -22.5747 -18.8847 -18.8847 -18.8839 -18.8839 -18.7203 -18.7203 -18.7187 -18.7187 -18.6847 -18.6847 -18.6840 -18.6840 -7.4230 -7.4230 -7.4049 -7.4049 -6.7756 -6.7756 -6.6571 -6.6571 -6.4754 -6.4754 -6.3462 -6.3462 -5.9799 -5.9799 -5.9531 -5.9531 2.3120 2.3120 2.3221 2.3221 3.0560 3.0560 3.0958 3.0958 3.2277 3.2277 3.2422 3.2422 8.3546 8.3546 8.3678 8.3678 9.2492 9.2492 9.2699 9.2699 9.6523 9.6523 k = 0.2941 0.5000 0.3106 ( 10400 PWs) bands (ev): -46.8195 -46.8195 -46.8195 -46.8195 -22.5745 -22.5745 -22.5745 -22.5745 -18.8849 -18.8849 -18.8842 -18.8842 -18.7208 -18.7208 -18.7193 -18.7193 -18.6840 -18.6840 -18.6833 -18.6833 -7.4195 -7.4195 -7.4016 -7.4016 -6.7716 -6.7716 -6.6498 -6.6498 -6.4821 -6.4821 -6.3488 -6.3488 -5.9898 -5.9898 -5.9623 -5.9623 2.3246 2.3246 2.3355 2.3355 3.0412 3.0412 3.0812 3.0812 3.2227 3.2227 3.2370 3.2370 8.3745 8.3745 8.3867 8.3867 9.2486 9.2486 9.2736 9.2736 9.6490 9.6490 k = 0.3088 0.5000 0.3106 ( 10388 PWs) bands (ev): -46.8195 -46.8195 -46.8195 -46.8195 -22.5743 -22.5743 -22.5743 -22.5743 -18.8852 -18.8852 -18.8844 -18.8844 -18.7212 -18.7212 -18.7198 -18.7198 -18.6833 -18.6833 -18.6827 -18.6827 -7.4160 -7.4160 -7.3984 -7.3984 -6.7670 -6.7670 -6.6428 -6.6428 -6.4883 -6.4883 -6.3518 -6.3518 -5.9995 -5.9995 -5.9715 -5.9715 2.3371 2.3371 2.3486 2.3486 3.0271 3.0271 3.0670 3.0670 3.2178 3.2178 3.2317 3.2317 8.3935 8.3935 8.4046 8.4046 9.2428 9.2428 9.2715 9.2715 9.6545 9.6545 k = 0.3235 0.5000 0.3106 ( 10384 PWs) bands (ev): -46.8195 -46.8195 -46.8195 -46.8195 -22.5742 -22.5742 -22.5742 -22.5742 -18.8854 -18.8854 -18.8847 -18.8847 -18.7216 -18.7216 -18.7204 -18.7204 -18.6826 -18.6826 -18.6821 -18.6821 -7.4127 -7.4127 -7.3956 -7.3956 -6.7618 -6.7618 -6.6361 -6.6361 -6.4939 -6.4939 -6.3553 -6.3553 -6.0089 -6.0089 -5.9807 -5.9807 2.3492 2.3492 2.3613 2.3613 3.0138 3.0138 3.0532 3.0532 3.2131 3.2131 3.2266 3.2266 8.4117 8.4117 8.4213 8.4213 9.2320 9.2320 9.2632 9.2632 9.6692 9.6692 k = 0.3382 0.5000 0.3106 ( 10392 PWs) bands (ev): -46.8195 -46.8195 -46.8195 -46.8195 -22.5740 -22.5740 -22.5740 -22.5740 -18.8856 -18.8856 -18.8849 -18.8849 -18.7221 -18.7221 -18.7209 -18.7209 -18.6820 -18.6820 -18.6815 -18.6815 -7.4095 -7.4095 -7.3931 -7.3931 -6.7559 -6.7559 -6.6301 -6.6301 -6.4986 -6.4986 -6.3594 -6.3594 -6.0179 -6.0179 -5.9897 -5.9897 2.3609 2.3609 2.3734 2.3734 3.0013 3.0013 3.0400 3.0400 3.2085 3.2085 3.2215 3.2215 8.4289 8.4289 8.4371 8.4371 9.2169 9.2169 9.2493 9.2493 9.6905 9.6905 k = 0.3529 0.5000 0.3106 ( 10384 PWs) bands (ev): -46.8195 -46.8195 -46.8195 -46.8195 -22.5739 -22.5739 -22.5739 -22.5739 -18.8858 -18.8858 -18.8852 -18.8852 -18.7224 -18.7224 -18.7213 -18.7213 -18.6815 -18.6815 -18.6810 -18.6810 -7.4064 -7.4064 -7.3909 -7.3909 -6.7495 -6.7495 -6.6252 -6.6252 -6.5021 -6.5021 -6.3641 -6.3641 -6.0262 -6.0262 -5.9986 -5.9986 2.3722 2.3722 2.3849 2.3849 2.9899 2.9899 3.0274 3.0274 3.2041 3.2041 3.2165 3.2165 8.4452 8.4452 8.4519 8.4519 9.1987 9.1987 9.2311 9.2311 9.7202 9.7202 k = 0.3676 0.5000 0.3106 ( 10388 PWs) bands (ev): -46.8195 -46.8195 -46.8195 -46.8195 -22.5737 -22.5737 -22.5737 -22.5737 -18.8860 -18.8860 -18.8854 -18.8854 -18.7227 -18.7227 -18.7217 -18.7217 -18.6810 -18.6810 -18.6806 -18.6806 -7.4034 -7.4034 -7.3890 -7.3890 -6.7425 -6.7425 -6.6217 -6.6217 -6.5039 -6.5039 -6.3693 -6.3693 -6.0339 -6.0339 -6.0072 -6.0072 2.3829 2.3829 2.3955 2.3955 2.9796 2.9796 3.0154 3.0154 3.2001 3.2001 3.2117 3.2117 8.4605 8.4605 8.4659 8.4659 9.1787 9.1787 9.2101 9.2101 9.7573 9.7573 k = 0.3824 0.5000 0.3106 ( 10388 PWs) bands (ev): -46.8195 -46.8195 -46.8195 -46.8195 -22.5736 -22.5736 -22.5736 -22.5736 -18.8861 -18.8861 -18.8856 -18.8856 -18.7230 -18.7230 -18.7221 -18.7221 -18.6805 -18.6805 -18.6802 -18.6802 -7.4007 -7.4007 -7.3874 -7.3874 -6.7350 -6.7350 -6.6200 -6.6200 -6.5037 -6.5037 -6.3753 -6.3753 -6.0408 -6.0408 -6.0154 -6.0154 2.3930 2.3930 2.4053 2.4053 2.9705 2.9705 3.0041 3.0041 3.1964 3.1964 3.2072 3.2072 8.4749 8.4749 8.4789 8.4789 9.1581 9.1581 9.1877 9.1877 9.8003 9.8003 k = 0.3971 0.5000 0.3106 ( 10388 PWs) bands (ev): -46.8195 -46.8195 -46.8195 -46.8195 -22.5735 -22.5735 -22.5735 -22.5735 -18.8863 -18.8863 -18.8858 -18.8858 -18.7232 -18.7232 -18.7224 -18.7224 -18.6801 -18.6801 -18.6798 -18.6798 -7.3981 -7.3981 -7.3861 -7.3861 -6.7270 -6.7270 -6.6204 -6.6204 -6.5013 -6.5013 -6.3819 -6.3819 -6.0468 -6.0468 -6.0232 -6.0232 2.4023 2.4023 2.4140 2.4140 2.9627 2.9627 2.9936 2.9936 3.1931 3.1931 3.2029 3.2029 8.4882 8.4882 8.4909 8.4909 9.1378 9.1378 9.1650 9.1650 9.8483 9.8483 k = 0.4118 0.5000 0.3106 ( 10388 PWs) bands (ev): -46.8195 -46.8195 -46.8195 -46.8195 -22.5734 -22.5734 -22.5734 -22.5734 -18.8864 -18.8864 -18.8860 -18.8860 -18.7234 -18.7234 -18.7227 -18.7227 -18.6797 -18.6797 -18.6795 -18.6795 -7.3957 -7.3957 -7.3852 -7.3852 -6.7187 -6.7187 -6.6228 -6.6228 -6.4969 -6.4969 -6.3892 -6.3892 -6.0518 -6.0518 -6.0305 -6.0305 2.4108 2.4108 2.4216 2.4216 2.9562 2.9562 2.9839 2.9839 3.1903 3.1903 3.1990 3.1990 8.5003 8.5003 8.5020 8.5020 9.1187 9.1187 9.1430 9.1430 9.9002 9.9002 k = 0.4265 0.5000 0.3106 ( 10388 PWs) bands (ev): -46.8195 -46.8195 -46.8195 -46.8195 -22.5733 -22.5733 -22.5733 -22.5733 -18.8865 -18.8865 -18.8861 -18.8861 -18.7236 -18.7236 -18.7230 -18.7230 -18.6794 -18.6794 -18.6792 -18.6792 -7.3935 -7.3935 -7.3846 -7.3846 -6.7100 -6.7100 -6.6271 -6.6271 -6.4906 -6.4906 -6.3972 -6.3972 -6.0558 -6.0558 -6.0372 -6.0372 2.4183 2.4183 2.4279 2.4279 2.9511 2.9511 2.9751 2.9751 3.1880 3.1880 3.1954 3.1954 8.5111 8.5111 8.5120 8.5120 9.1015 9.1015 9.1226 9.1226 9.9553 9.9553 k = 0.4412 0.5000 0.3106 ( 10392 PWs) bands (ev): -46.8195 -46.8195 -46.8195 -46.8195 -22.5732 -22.5732 -22.5732 -22.5732 -18.8866 -18.8866 -18.8863 -18.8863 -18.7237 -18.7237 -18.7232 -18.7232 -18.6792 -18.6792 -18.6790 -18.6790 -7.3916 -7.3916 -7.3843 -7.3843 -6.7010 -6.7010 -6.6328 -6.6328 -6.4829 -6.4829 -6.4058 -6.4058 -6.0586 -6.0586 -6.0432 -6.0432 2.4249 2.4249 2.4330 2.4330 2.9474 2.9474 2.9673 2.9673 3.1862 3.1862 3.1923 3.1923 8.5203 8.5203 8.5206 8.5206 9.0869 9.0869 9.1043 9.1043 10.0129 10.0129 k = 0.4559 0.5000 0.3106 ( 10408 PWs) bands (ev): -46.8195 -46.8195 -46.8195 -46.8195 -22.5731 -22.5731 -22.5731 -22.5731 -18.8866 -18.8866 -18.8864 -18.8864 -18.7238 -18.7238 -18.7235 -18.7235 -18.6790 -18.6790 -18.6789 -18.6789 -7.3898 -7.3898 -7.3843 -7.3843 -6.6919 -6.6919 -6.6397 -6.6397 -6.4741 -6.4741 -6.4149 -6.4149 -6.0604 -6.0604 -6.0484 -6.0484 2.4304 2.4304 2.4367 2.4367 2.9452 2.9452 2.9604 2.9604 3.1849 3.1849 3.1896 3.1896 8.5278 8.5278 8.5278 8.5278 9.0754 9.0754 9.0888 9.0888 10.0722 10.0722 k = 0.4706 0.5000 0.3106 ( 10412 PWs) bands (ev): -46.8195 -46.8195 -46.8195 -46.8195 -22.5731 -22.5731 -22.5731 -22.5731 -18.8867 -18.8867 -18.8865 -18.8865 -18.7239 -18.7239 -18.7236 -18.7236 -18.6788 -18.6788 -18.6788 -18.6788 -7.3883 -7.3883 -7.3845 -7.3845 -6.6827 -6.6827 -6.6474 -6.6474 -6.4646 -6.4646 -6.4245 -6.4245 -6.0610 -6.0610 -6.0529 -6.0529 2.4347 2.4347 2.4391 2.4391 2.9444 2.9444 2.9547 2.9547 3.1843 3.1843 3.1874 3.1874 8.5331 8.5331 8.5333 8.5333 9.0676 9.0676 9.0767 9.0767 10.1322 10.1322 k = 0.4853 0.5000 0.3106 ( 10428 PWs) bands (ev): -46.8195 -46.8195 -46.8195 -46.8195 -22.5731 -22.5731 -22.5731 -22.5731 -18.8867 -18.8867 -18.8866 -18.8866 -18.7239 -18.7239 -18.7237 -18.7237 -18.6788 -18.6788 -18.6788 -18.6788 -7.3870 -7.3870 -7.3851 -7.3851 -6.6736 -6.6736 -6.6558 -6.6558 -6.4547 -6.4547 -6.4344 -6.4344 -6.0605 -6.0605 -6.0564 -6.0564 2.4378 2.4378 2.4400 2.4400 2.9450 2.9450 2.9502 2.9502 3.1842 3.1842 3.1858 3.1858 8.5365 8.5365 8.5366 8.5366 9.0636 9.0636 9.0683 9.0683 10.1902 10.1909 k = 0.5000 0.5000 0.3106 ( 10432 PWs) bands (ev): -46.8195 -46.8195 -46.8195 -46.8195 -22.5731 -22.5731 -22.5731 -22.5731 -18.8867 -18.8867 -18.8867 -18.8867 -18.7238 -18.7238 -18.7238 -18.7238 -18.6788 -18.6788 -18.6788 -18.6788 -7.3859 -7.3859 -7.3859 -7.3859 -6.6645 -6.6645 -6.6645 -6.6645 -6.4445 -6.4445 -6.4445 -6.4445 -6.0590 -6.0590 -6.0590 -6.0590 2.4396 2.4396 2.4396 2.4396 2.9469 2.9469 2.9469 2.9469 3.1847 3.1847 3.1847 3.1847 8.5377 8.5377 8.5377 8.5377 9.0639 9.0639 9.0639 9.0639 10.2265 10.2265 k = 0.5000 0.5000 0.3106 ( 10432 PWs) bands (ev): -46.8195 -46.8195 -46.8195 -46.8195 -22.5731 -22.5731 -22.5731 -22.5731 -18.8867 -18.8867 -18.8867 -18.8867 -18.7238 -18.7238 -18.7238 -18.7238 -18.6788 -18.6788 -18.6788 -18.6788 -7.3859 -7.3859 -7.3859 -7.3859 -6.6645 -6.6645 -6.6645 -6.6645 -6.4445 -6.4445 -6.4445 -6.4445 -6.0590 -6.0590 -6.0590 -6.0590 2.4396 2.4396 2.4396 2.4396 2.9469 2.9469 2.9469 2.9469 3.1847 3.1847 3.1847 3.1847 8.5377 8.5377 8.5377 8.5377 9.0639 9.0639 9.0639 9.0639 10.2265 10.2265 k = 0.4896 0.4896 0.3106 ( 10428 PWs) bands (ev): -46.8195 -46.8195 -46.8195 -46.8195 -22.5731 -22.5731 -22.5731 -22.5731 -18.8867 -18.8867 -18.8866 -18.8866 -18.7239 -18.7239 -18.7237 -18.7237 -18.6788 -18.6788 -18.6787 -18.6787 -7.3870 -7.3870 -7.3851 -7.3851 -6.6736 -6.6736 -6.6557 -6.6557 -6.4547 -6.4547 -6.4344 -6.4344 -6.0605 -6.0605 -6.0564 -6.0564 2.4372 2.4372 2.4406 2.4406 2.9446 2.9446 2.9506 2.9506 3.1842 3.1842 3.1858 3.1858 8.5353 8.5353 8.5379 8.5379 9.0635 9.0635 9.0684 9.0684 10.1680 10.1680 k = 0.4792 0.4792 0.3106 ( 10418 PWs) bands (ev): -46.8196 -46.8196 -46.8195 -46.8195 -22.5732 -22.5732 -22.5730 -22.5730 -18.8867 -18.8867 -18.8865 -18.8865 -18.7239 -18.7239 -18.7236 -18.7236 -18.6789 -18.6789 -18.6787 -18.6787 -7.3882 -7.3882 -7.3846 -7.3846 -6.6828 -6.6828 -6.6474 -6.6474 -6.4646 -6.4646 -6.4245 -6.4245 -6.0612 -6.0612 -6.0527 -6.0527 2.4314 2.4314 2.4426 2.4426 2.9418 2.9418 2.9571 2.9571 3.1843 3.1843 3.1874 3.1874 8.5282 8.5282 8.5384 8.5384 9.0665 9.0665 9.0777 9.0777 10.0853 10.0853 k = 0.4688 0.4687 0.3106 ( 10416 PWs) bands (ev): -46.8196 -46.8196 -46.8195 -46.8195 -22.5734 -22.5734 -22.5729 -22.5729 -18.8867 -18.8867 -18.8864 -18.8864 -18.7238 -18.7238 -18.7234 -18.7234 -18.6791 -18.6791 -18.6788 -18.6788 -7.3897 -7.3897 -7.3844 -7.3844 -6.6920 -6.6920 -6.6397 -6.6397 -6.4741 -6.4741 -6.4149 -6.4149 -6.0610 -6.0610 -6.0479 -6.0479 2.4222 2.4222 2.4457 2.4457 2.9378 2.9378 2.9668 2.9668 3.1850 3.1850 3.1897 3.1897 8.5170 8.5170 8.5392 8.5392 9.0722 9.0722 9.0917 9.0917 10.0037 10.0037 k = 0.4583 0.4583 0.3106 ( 10404 PWs) bands (ev): -46.8196 -46.8196 -46.8195 -46.8195 -22.5737 -22.5737 -22.5728 -22.5728 -18.8867 -18.8867 -18.8861 -18.8861 -18.7238 -18.7238 -18.7232 -18.7232 -18.6795 -18.6795 -18.6788 -18.6788 -7.3913 -7.3913 -7.3845 -7.3845 -6.7012 -6.7012 -6.6328 -6.6328 -6.4827 -6.4827 -6.4058 -6.4058 -6.0600 -6.0600 -6.0419 -6.0419 2.4104 2.4104 2.4502 2.4502 2.9323 2.9323 2.9792 2.9792 3.1864 3.1864 3.1927 3.1927 8.5026 8.5026 8.5404 8.5404 9.0801 9.0801 9.1097 9.1097 9.9258 9.9258 k = 0.4479 0.4479 0.3106 ( 10384 PWs) bands (ev): -46.8196 -46.8196 -46.8194 -46.8194 -22.5740 -22.5740 -22.5726 -22.5726 -18.8868 -18.8868 -18.8858 -18.8858 -18.7237 -18.7237 -18.7229 -18.7229 -18.6799 -18.6799 -18.6788 -18.6788 -7.3930 -7.3930 -7.3849 -7.3849 -6.7102 -6.7102 -6.6271 -6.6271 -6.4903 -6.4903 -6.3972 -6.3972 -6.0584 -6.0584 -6.0350 -6.0350 2.3966 2.3966 2.4558 2.4558 2.9252 2.9252 2.9938 2.9938 3.1886 3.1886 3.1963 3.1963 8.4859 8.4859 8.5418 8.5418 9.0899 9.0899 9.1310 9.1310 9.8530 9.8530 k = 0.4375 0.4375 0.3106 ( 10392 PWs) bands (ev): -46.8197 -46.8197 -46.8194 -46.8194 -22.5744 -22.5744 -22.5724 -22.5724 -18.8868 -18.8868 -18.8856 -18.8856 -18.7236 -18.7236 -18.7226 -18.7226 -18.6804 -18.6804 -18.6788 -18.6788 -7.3947 -7.3947 -7.3857 -7.3857 -6.7191 -6.7191 -6.6227 -6.6227 -6.4964 -6.4964 -6.3891 -6.3891 -6.0562 -6.0562 -6.0271 -6.0271 2.3815 2.3815 2.4628 2.4628 2.9164 2.9164 3.0097 3.0097 3.1915 3.1915 3.2007 3.2007 8.4676 8.4676 8.5435 8.5435 9.1008 9.1008 9.1547 9.1547 9.7866 9.7866 k = 0.4271 0.4271 0.3106 ( 10392 PWs) bands (ev): -46.8197 -46.8197 -46.8194 -46.8194 -22.5748 -22.5748 -22.5721 -22.5721 -18.8869 -18.8869 -18.8852 -18.8852 -18.7235 -18.7235 -18.7222 -18.7222 -18.6810 -18.6810 -18.6789 -18.6789 -7.3965 -7.3965 -7.3868 -7.3868 -6.7278 -6.7278 -6.6200 -6.6200 -6.5008 -6.5008 -6.3816 -6.3816 -6.0534 -6.0534 -6.0184 -6.0184 2.3659 2.3659 2.4709 2.4709 2.9059 2.9059 3.0263 3.0263 3.1953 3.1953 3.2060 3.2060 8.4484 8.4484 8.5454 8.5454 9.1121 9.1121 9.1803 9.1803 9.7278 9.7278 k = 0.4167 0.4167 0.3106 ( 10390 PWs) bands (ev): -46.8198 -46.8198 -46.8193 -46.8193 -22.5754 -22.5754 -22.5718 -22.5718 -18.8870 -18.8870 -18.8848 -18.8848 -18.7234 -18.7234 -18.7217 -18.7217 -18.6817 -18.6817 -18.6789 -18.6789 -7.3982 -7.3982 -7.3883 -7.3883 -6.7362 -6.7362 -6.6189 -6.6189 -6.5033 -6.5033 -6.3747 -6.3747 -6.0500 -6.0500 -6.0091 -6.0091 2.3503 2.3503 2.4803 2.4803 2.8939 2.8939 3.0430 3.0430 3.1999 3.1999 3.2121 3.2121 8.4290 8.4290 8.5474 8.5474 9.1224 9.1224 9.2071 9.2071 9.6782 9.6782 k = 0.4062 0.4062 0.3106 ( 10406 PWs) bands (ev): -46.8198 -46.8198 -46.8193 -46.8193 -22.5759 -22.5759 -22.5715 -22.5715 -18.8871 -18.8871 -18.8844 -18.8844 -18.7233 -18.7233 -18.7212 -18.7212 -18.6825 -18.6825 -18.6790 -18.6790 -7.3999 -7.3999 -7.3900 -7.3900 -6.7444 -6.7444 -6.6194 -6.6194 -6.5042 -6.5042 -6.3683 -6.3683 -6.0462 -6.0462 -5.9994 -5.9994 2.3351 2.3351 2.4909 2.4909 2.8803 2.8803 3.0594 3.0594 3.2052 3.2052 3.2192 3.2192 8.4096 8.4096 8.5494 8.5494 9.1300 9.1300 9.2346 9.2346 9.6399 9.6399 k = 0.3958 0.3958 0.3106 ( 10394 PWs) bands (ev): -46.8199 -46.8199 -46.8192 -46.8192 -22.5766 -22.5766 -22.5712 -22.5712 -18.8872 -18.8872 -18.8838 -18.8838 -18.7231 -18.7231 -18.7206 -18.7206 -18.6833 -18.6833 -18.6790 -18.6790 -7.4016 -7.4016 -7.3920 -7.3920 -6.7522 -6.7522 -6.6211 -6.6211 -6.5035 -6.5035 -6.3624 -6.3624 -6.0419 -6.0419 -5.9894 -5.9894 2.3209 2.3209 2.5026 2.5026 2.8653 2.8653 3.0749 3.0749 3.2112 3.2112 3.2273 3.2273 8.3905 8.3905 8.5513 8.5513 9.1330 9.1330 9.2626 9.2626 9.6148 9.6148 k = 0.3854 0.3854 0.3106 ( 10406 PWs) bands (ev): -46.8200 -46.8200 -46.8191 -46.8191 -22.5773 -22.5773 -22.5708 -22.5708 -18.8873 -18.8873 -18.8833 -18.8833 -18.7230 -18.7230 -18.7201 -18.7201 -18.6843 -18.6843 -18.6791 -18.6791 -7.4032 -7.4032 -7.3940 -7.3940 -6.7597 -6.7597 -6.6236 -6.6236 -6.5018 -6.5018 -6.3571 -6.3571 -6.0372 -6.0372 -5.9793 -5.9793 2.3080 2.3080 2.5156 2.5156 2.8491 2.8491 3.0893 3.0893 3.2180 3.2180 3.2365 3.2365 8.3718 8.3718 8.5530 8.5530 9.1298 9.1298 9.2907 9.2907 9.6046 9.6046 k = 0.3750 0.3750 0.3106 ( 10394 PWs) bands (ev): -46.8200 -46.8200 -46.8190 -46.8190 -22.5781 -22.5781 -22.5704 -22.5704 -18.8874 -18.8874 -18.8828 -18.8828 -18.7228 -18.7228 -18.7194 -18.7194 -18.6852 -18.6852 -18.6792 -18.6792 -7.4049 -7.4049 -7.3960 -7.3960 -6.7669 -6.7669 -6.6267 -6.6267 -6.4994 -6.4994 -6.3522 -6.3522 -6.0323 -6.0323 -5.9693 -5.9693 2.2966 2.2966 2.5296 2.5296 2.8320 2.8320 3.1024 3.1024 3.2253 3.2253 3.2466 3.2466 8.3535 8.3535 8.5544 8.5544 9.1197 9.1197 9.3187 9.3187 9.6100 9.6100 k = 0.3646 0.3646 0.3106 ( 10408 PWs) bands (ev): -46.8201 -46.8201 -46.8190 -46.8190 -22.5789 -22.5789 -22.5699 -22.5699 -18.8876 -18.8876 -18.8822 -18.8822 -18.7227 -18.7227 -18.7187 -18.7187 -18.6863 -18.6863 -18.6792 -18.6792 -7.4069 -7.4069 -7.3978 -7.3978 -6.7736 -6.7736 -6.6298 -6.6298 -6.4966 -6.4966 -6.3478 -6.3478 -6.0271 -6.0271 -5.9594 -5.9594 2.2871 2.2871 2.5448 2.5448 2.8140 2.8140 3.1139 3.1139 3.2332 3.2332 3.2576 3.2576 8.3356 8.3356 8.5552 8.5552 9.1034 9.1034 9.3465 9.3465 9.6301 9.6301 k = 0.3542 0.3542 0.3106 ( 10400 PWs) bands (ev): -46.8202 -46.8202 -46.8189 -46.8189 -22.5798 -22.5798 -22.5695 -22.5695 -18.8878 -18.8878 -18.8815 -18.8815 -18.7225 -18.7225 -18.7179 -18.7179 -18.6874 -18.6874 -18.6792 -18.6792 -7.4092 -7.4092 -7.3990 -7.3990 -6.7799 -6.7799 -6.6328 -6.6328 -6.4937 -6.4937 -6.3439 -6.3439 -6.0218 -6.0218 -5.9499 -5.9499 2.2794 2.2794 2.5610 2.5610 2.7956 2.7956 3.1239 3.1239 3.2418 3.2418 3.2694 3.2694 8.3178 8.3178 8.5552 8.5552 9.0824 9.0824 9.3735 9.3735 9.6631 9.6631 k = 0.3438 0.3437 0.3106 ( 10408 PWs) bands (ev): -46.8203 -46.8203 -46.8188 -46.8188 -22.5807 -22.5807 -22.5690 -22.5690 -18.8879 -18.8879 -18.8809 -18.8809 -18.7224 -18.7224 -18.7171 -18.7171 -18.6885 -18.6885 -18.6793 -18.6793 -7.4120 -7.4120 -7.3995 -7.3995 -6.7857 -6.7857 -6.6355 -6.6355 -6.4909 -6.4909 -6.3403 -6.3403 -6.0165 -6.0165 -5.9408 -5.9408 2.2738 2.2738 2.5783 2.5783 2.7769 2.7769 3.1323 3.1323 3.2508 3.2508 3.2819 3.2819 8.3000 8.3000 8.5541 8.5541 9.0584 9.0584 9.3991 9.3991 9.7070 9.7070 k = 0.3333 0.3333 0.3106 ( 10410 PWs) bands (ev): -46.8204 -46.8204 -46.8187 -46.8187 -22.5816 -22.5816 -22.5685 -22.5685 -18.8882 -18.8882 -18.8803 -18.8803 -18.7222 -18.7222 -18.7163 -18.7163 -18.6897 -18.6897 -18.6793 -18.6793 -7.4151 -7.4151 -7.3995 -7.3995 -6.7910 -6.7910 -6.6378 -6.6378 -6.4882 -6.4882 -6.3373 -6.3373 -6.0114 -6.0114 -5.9322 -5.9322 2.2703 2.2703 2.5965 2.5965 2.7582 2.7582 3.1392 3.1392 3.2605 3.2605 3.2950 3.2950 8.2818 8.2818 8.5517 8.5517 9.0325 9.0325 9.4225 9.4225 9.7603 9.7603 k = 0.3229 0.3229 0.3106 ( 10402 PWs) bands (ev): -46.8205 -46.8205 -46.8186 -46.8186 -22.5826 -22.5826 -22.5680 -22.5680 -18.8884 -18.8884 -18.8796 -18.8796 -18.7220 -18.7220 -18.7154 -18.7154 -18.6909 -18.6909 -18.6793 -18.6793 -7.4185 -7.4185 -7.3988 -7.3988 -6.7958 -6.7958 -6.6396 -6.6396 -6.4857 -6.4857 -6.3346 -6.3346 -6.0064 -6.0064 -5.9241 -5.9241 2.2688 2.2688 2.6157 2.6157 2.7398 2.7398 3.1446 3.1446 3.2707 3.2707 3.3085 3.3085 8.2630 8.2630 8.5475 8.5475 9.0054 9.0054 9.4423 9.4423 9.8215 9.8215 k = 0.3125 0.3125 0.3106 ( 10402 PWs) bands (ev): -46.8206 -46.8206 -46.8185 -46.8185 -22.5836 -22.5836 -22.5674 -22.5674 -18.8886 -18.8886 -18.8789 -18.8789 -18.7219 -18.7219 -18.7145 -18.7145 -18.6922 -18.6922 -18.6793 -18.6793 -7.4219 -7.4219 -7.3977 -7.3977 -6.8001 -6.8001 -6.6409 -6.6409 -6.4836 -6.4836 -6.3324 -6.3324 -6.0019 -6.0019 -5.9166 -5.9166 2.2693 2.2693 2.6358 2.6358 2.7220 2.7220 3.1488 3.1488 3.2814 3.2814 3.3223 3.3223 8.2431 8.2431 8.5412 8.5412 8.9777 8.9777 9.4570 9.4570 9.8768 9.8768 k = 0.3021 0.3021 0.3106 ( 10406 PWs) bands (ev): -46.8207 -46.8207 -46.8184 -46.8184 -22.5847 -22.5847 -22.5669 -22.5669 -18.8888 -18.8888 -18.8782 -18.8782 -18.7217 -18.7217 -18.7136 -18.7136 -18.6934 -18.6934 -18.6793 -18.6793 -7.4253 -7.4253 -7.3961 -7.3961 -6.8038 -6.8038 -6.6416 -6.6416 -6.4817 -6.4817 -6.3307 -6.3307 -5.9980 -5.9980 -5.9098 -5.9098 2.2718 2.2718 2.6564 2.6564 2.7053 2.7053 3.1521 3.1521 3.2926 3.2926 3.3363 3.3363 8.2220 8.2220 8.5322 8.5322 8.9490 8.9490 9.4652 9.4652 9.8746 9.8746 k = 0.2917 0.2917 0.3106 ( 10410 PWs) bands (ev): -46.8208 -46.8208 -46.8183 -46.8183 -22.5857 -22.5857 -22.5663 -22.5663 -18.8891 -18.8891 -18.8775 -18.8775 -18.7216 -18.7216 -18.7126 -18.7126 -18.6947 -18.6947 -18.6792 -18.6792 -7.4287 -7.4287 -7.3941 -7.3941 -6.8069 -6.8069 -6.6418 -6.6418 -6.4801 -6.4801 -6.3294 -6.3294 -5.9946 -5.9946 -5.9035 -5.9035 2.2760 2.2760 2.6755 2.6755 2.6920 2.6920 3.1546 3.1546 3.3043 3.3043 3.3502 3.3502 8.1993 8.1993 8.5202 8.5202 8.9192 8.9192 9.4662 9.4662 9.8819 9.8819 k = 0.2812 0.2812 0.3106 ( 10406 PWs) bands (ev): -46.8209 -46.8209 -46.8182 -46.8182 -22.5868 -22.5868 -22.5657 -22.5657 -18.8893 -18.8893 -18.8769 -18.8769 -18.7214 -18.7214 -18.7117 -18.7117 -18.6959 -18.6959 -18.6792 -18.6792 -7.4318 -7.4318 -7.3916 -7.3916 -6.8094 -6.8094 -6.6415 -6.6415 -6.4788 -6.4788 -6.3286 -6.3286 -5.9921 -5.9921 -5.8979 -5.8979 2.2817 2.2817 2.6718 2.6718 2.7036 2.7036 3.1568 3.1568 3.3165 3.3165 3.3638 3.3638 8.1746 8.1746 8.5047 8.5047 8.8878 8.8878 9.4607 9.4607 9.8995 9.8995 k = 0.2708 0.2708 0.3106 ( 10416 PWs) bands (ev): -46.8210 -46.8210 -46.8181 -46.8181 -22.5879 -22.5879 -22.5651 -22.5651 -18.8896 -18.8896 -18.8762 -18.8762 -18.7213 -18.7213 -18.7107 -18.7107 -18.6971 -18.6971 -18.6791 -18.6791 -7.4348 -7.4348 -7.3888 -7.3888 -6.8113 -6.8113 -6.6406 -6.6406 -6.4777 -6.4777 -6.3283 -6.3283 -5.9904 -5.9904 -5.8930 -5.8930 2.2887 2.2887 2.6593 2.6593 2.7261 2.7261 3.1590 3.1590 3.3291 3.3291 3.3771 3.3771 8.1479 8.1479 8.4853 8.4853 8.8540 8.8540 9.4501 9.4501 9.9261 9.9261 k = 0.2604 0.2604 0.3106 ( 10420 PWs) bands (ev): -46.8211 -46.8211 -46.8180 -46.8180 -22.5890 -22.5890 -22.5645 -22.5645 -18.8899 -18.8899 -18.8756 -18.8756 -18.7213 -18.7213 -18.7098 -18.7098 -18.6983 -18.6983 -18.6790 -18.6790 -7.4374 -7.4374 -7.3856 -7.3856 -6.8126 -6.8126 -6.6392 -6.6392 -6.4768 -6.4768 -6.3285 -6.3285 -5.9896 -5.9896 -5.8886 -5.8886 2.2967 2.2967 2.6478 2.6478 2.7498 2.7498 3.1617 3.1617 3.3422 3.3422 3.3898 3.3898 8.1190 8.1190 8.4616 8.4616 8.8172 8.8172 9.4367 9.4367 9.9503 9.9503 k = 0.2500 0.2500 0.3106 ( 10414 PWs) bands (ev): -46.8212 -46.8212 -46.8179 -46.8179 -22.5902 -22.5902 -22.5639 -22.5639 -18.8902 -18.8902 -18.8749 -18.8749 -18.7212 -18.7212 -18.7088 -18.7088 -18.6994 -18.6994 -18.6789 -18.6789 -7.4397 -7.4397 -7.3821 -7.3821 -6.8133 -6.8133 -6.6373 -6.6373 -6.4760 -6.4760 -6.3293 -6.3293 -5.9898 -5.9898 -5.8849 -5.8849 2.3052 2.3052 2.6381 2.6381 2.7742 2.7742 3.1651 3.1651 3.3556 3.3556 3.4018 3.4018 8.0878 8.0878 8.4333 8.4333 8.7767 8.7767 9.4220 9.4220 9.8950 9.8950 k = 0.2396 0.2396 0.3106 ( 10414 PWs) bands (ev): -46.8213 -46.8213 -46.8178 -46.8178 -22.5913 -22.5913 -22.5633 -22.5633 -18.8906 -18.8906 -18.8743 -18.8743 -18.7212 -18.7212 -18.7079 -18.7079 -18.7005 -18.7005 -18.6787 -18.6787 -7.4416 -7.4416 -7.3783 -7.3783 -6.8134 -6.8134 -6.6350 -6.6350 -6.4753 -6.4753 -6.3306 -6.3306 -5.9911 -5.9911 -5.8818 -5.8818 2.3140 2.3140 2.6305 2.6305 2.7992 2.7992 3.1699 3.1699 3.3693 3.3693 3.4129 3.4129 8.0544 8.0544 8.4005 8.4005 8.7321 8.7321 9.4077 9.4077 9.8429 9.8429 k = 0.2292 0.2292 0.3106 ( 10410 PWs) bands (ev): -46.8214 -46.8214 -46.8177 -46.8177 -22.5924 -22.5924 -22.5627 -22.5627 -18.8909 -18.8909 -18.8737 -18.8737 -18.7212 -18.7212 -18.7070 -18.7070 -18.7015 -18.7015 -18.6784 -18.6784 -7.4431 -7.4431 -7.3743 -7.3743 -6.8129 -6.8129 -6.6323 -6.6323 -6.4747 -6.4747 -6.3325 -6.3325 -5.9934 -5.9934 -5.8793 -5.8793 2.3227 2.3227 2.6249 2.6249 2.8245 2.8245 3.1763 3.1763 3.3832 3.3832 3.4230 3.4230 8.0189 8.0189 8.3633 8.3633 8.6830 8.6830 9.3946 9.3946 9.7995 9.7995 k = 0.2188 0.2187 0.3106 ( 10402 PWs) bands (ev): -46.8215 -46.8215 -46.8176 -46.8176 -22.5935 -22.5935 -22.5621 -22.5621 -18.8913 -18.8913 -18.8731 -18.8731 -18.7213 -18.7213 -18.7061 -18.7061 -18.7025 -18.7025 -18.6781 -18.6781 -7.4441 -7.4441 -7.3702 -7.3702 -6.8118 -6.8118 -6.6292 -6.6292 -6.4741 -6.4741 -6.3350 -6.3350 -5.9967 -5.9967 -5.8773 -5.8773 2.3309 2.3309 2.6217 2.6217 2.8501 2.8501 3.1849 3.1849 3.3972 3.3972 3.4320 3.4320 7.9817 7.9817 8.3218 8.3218 8.6295 8.6295 9.3836 9.3836 9.7643 9.7643 k = 0.2083 0.2083 0.3106 ( 10426 PWs) bands (ev): -46.8216 -46.8216 -46.8175 -46.8175 -22.5946 -22.5946 -22.5616 -22.5616 -18.8916 -18.8916 -18.8725 -18.8725 -18.7215 -18.7215 -18.7053 -18.7053 -18.7034 -18.7034 -18.6779 -18.6779 -7.4446 -7.4446 -7.3661 -7.3661 -6.8101 -6.8101 -6.6257 -6.6257 -6.4735 -6.4735 -6.3380 -6.3380 -6.0011 -6.0011 -5.8759 -5.8759 2.3382 2.3382 2.6208 2.6208 2.8759 2.8759 3.1957 3.1957 3.4110 3.4110 3.4398 3.4398 7.9430 7.9430 8.2767 8.2767 8.5719 8.5719 9.3749 9.3749 9.6859 9.6859 k = 0.1979 0.1979 0.3106 ( 10446 PWs) bands (ev): -46.8217 -46.8217 -46.8174 -46.8174 -22.5957 -22.5957 -22.5610 -22.5610 -18.8920 -18.8920 -18.8720 -18.8720 -18.7217 -18.7217 -18.7045 -18.7045 -18.7042 -18.7042 -18.6776 -18.6776 -7.4446 -7.4446 -7.3619 -7.3619 -6.8078 -6.8078 -6.6220 -6.6220 -6.4729 -6.4729 -6.3416 -6.3416 -6.0066 -6.0066 -5.8750 -5.8750 2.3444 2.3444 2.6224 2.6224 2.9018 2.9018 3.2093 3.2093 3.4240 3.4240 3.4469 3.4469 7.9032 7.9032 8.2284 8.2284 8.5108 8.5108 9.3688 9.3688 9.5904 9.5904 k = 0.1875 0.1875 0.3106 ( 10440 PWs) bands (ev): -46.8218 -46.8218 -46.8173 -46.8173 -22.5967 -22.5967 -22.5604 -22.5604 -18.8924 -18.8924 -18.8715 -18.8715 -18.7219 -18.7219 -18.7049 -18.7049 -18.7038 -18.7038 -18.6772 -18.6772 -7.4441 -7.4441 -7.3578 -7.3578 -6.8049 -6.8049 -6.6179 -6.6179 -6.4721 -6.4721 -6.3456 -6.3456 -6.0131 -6.0131 -5.8746 -5.8746 2.3493 2.3493 2.6265 2.6265 2.9276 2.9276 3.2255 3.2255 3.4346 3.4346 3.4548 3.4548 7.8627 7.8627 8.1777 8.1777 8.4470 8.4470 9.3653 9.3653 9.4967 9.4967 k = 0.1771 0.1771 0.3106 ( 10436 PWs) bands (ev): -46.8219 -46.8219 -46.8172 -46.8172 -22.5977 -22.5977 -22.5599 -22.5599 -18.8927 -18.8927 -18.8710 -18.8710 -18.7222 -18.7222 -18.7055 -18.7055 -18.7031 -18.7031 -18.6767 -18.6767 -7.4431 -7.4431 -7.3538 -7.3538 -6.8015 -6.8015 -6.6136 -6.6136 -6.4713 -6.4713 -6.3500 -6.3500 -6.0206 -6.0206 -5.8746 -5.8746 2.3526 2.3526 2.6331 2.6331 2.9532 2.9532 3.2445 3.2445 3.4406 3.4406 3.4653 3.4653 7.8219 7.8219 8.1252 8.1252 8.3812 8.3812 9.3643 9.3643 9.4058 9.4058 k = 0.1667 0.1667 0.3106 ( 10430 PWs) bands (ev): -46.8220 -46.8220 -46.8171 -46.8171 -22.5987 -22.5987 -22.5594 -22.5594 -18.8930 -18.8930 -18.8706 -18.8706 -18.7225 -18.7225 -18.7060 -18.7060 -18.7025 -18.7025 -18.6763 -18.6763 -7.4415 -7.4415 -7.3500 -7.3500 -6.7975 -6.7975 -6.6092 -6.6092 -6.4704 -6.4704 -6.3547 -6.3547 -6.0291 -6.0291 -5.8749 -5.8749 2.3545 2.3545 2.6422 2.6422 2.9785 2.9785 3.2661 3.2661 3.4420 3.4420 3.4782 3.4782 7.7813 7.7813 8.0719 8.0719 8.3143 8.3143 9.3172 9.3172 9.3664 9.3664 k = 0.1562 0.1562 0.3106 ( 10434 PWs) bands (ev): -46.8221 -46.8221 -46.8170 -46.8170 -22.5997 -22.5997 -22.5589 -22.5589 -18.8934 -18.8934 -18.8702 -18.8702 -18.7229 -18.7229 -18.7065 -18.7065 -18.7020 -18.7020 -18.6758 -18.6758 -7.4395 -7.4395 -7.3465 -7.3465 -6.7931 -6.7931 -6.6046 -6.6046 -6.4696 -6.4696 -6.3594 -6.3594 -6.0386 -6.0386 -5.8754 -5.8754 2.3549 2.3549 2.6538 2.6538 3.0034 3.0034 3.2900 3.2900 3.4402 3.4402 3.4921 3.4921 7.7412 7.7412 8.0182 8.0182 8.2472 8.2472 9.2327 9.2327 9.3701 9.3701 k = 0.1458 0.1458 0.3106 ( 10432 PWs) bands (ev): -46.8222 -46.8222 -46.8170 -46.8170 -22.6006 -22.6006 -22.5584 -22.5584 -18.8938 -18.8938 -18.8698 -18.8698 -18.7233 -18.7233 -18.7069 -18.7069 -18.7014 -18.7014 -18.6753 -18.6753 -7.4370 -7.4370 -7.3434 -7.3434 -6.7881 -6.7881 -6.6000 -6.6000 -6.4688 -6.4688 -6.3639 -6.3639 -6.0491 -6.0491 -5.8762 -5.8762 2.3540 2.3540 2.6678 2.6678 3.0276 3.0276 3.3160 3.3160 3.4357 3.4357 3.5063 3.5063 7.7022 7.7022 7.9651 7.9651 8.1806 8.1806 9.1518 9.1518 9.3758 9.3758 k = 0.1354 0.1354 0.3106 ( 10432 PWs) bands (ev): -46.8223 -46.8223 -46.8169 -46.8169 -22.6014 -22.6014 -22.5579 -22.5579 -18.8941 -18.8941 -18.8694 -18.8694 -18.7237 -18.7237 -18.7072 -18.7072 -18.7010 -18.7010 -18.6748 -18.6748 -7.4340 -7.4340 -7.3406 -7.3406 -6.7828 -6.7828 -6.5954 -6.5954 -6.4682 -6.4682 -6.3679 -6.3679 -6.0605 -6.0605 -5.8772 -5.8772 2.3518 2.3518 2.6841 2.6841 3.0510 3.0510 3.3434 3.3434 3.4287 3.4287 3.5204 3.5204 7.6646 7.6646 7.9130 7.9130 8.1153 8.1153 9.0751 9.0751 9.3831 9.3831 k = 0.1250 0.1250 0.3106 ( 10432 PWs) bands (ev): -46.8224 -46.8224 -46.8168 -46.8168 -22.6023 -22.6023 -22.5575 -22.5575 -18.8944 -18.8944 -18.8691 -18.8691 -18.7242 -18.7242 -18.7074 -18.7074 -18.7006 -18.7006 -18.6742 -18.6742 -7.4306 -7.4306 -7.3383 -7.3383 -6.7770 -6.7770 -6.5909 -6.5909 -6.4681 -6.4681 -6.3709 -6.3709 -6.0729 -6.0729 -5.8782 -5.8782 2.3487 2.3487 2.7025 2.7025 3.0735 3.0735 3.3715 3.3715 3.4197 3.4197 3.5344 3.5344 7.6286 7.6286 7.8625 7.8625 8.0519 8.0519 9.0027 9.0027 9.3917 9.3917 k = 0.1146 0.1146 0.3106 ( 10420 PWs) bands (ev): -46.8224 -46.8224 -46.8167 -46.8167 -22.6030 -22.6030 -22.5571 -22.5571 -18.8947 -18.8947 -18.8688 -18.8688 -18.7245 -18.7245 -18.7075 -18.7075 -18.7003 -18.7003 -18.6737 -18.6737 -7.4269 -7.4269 -7.3365 -7.3365 -6.7710 -6.7710 -6.5867 -6.5867 -6.4688 -6.4688 -6.3725 -6.3725 -6.0861 -6.0861 -5.8793 -5.8793 2.3448 2.3448 2.7229 2.7229 3.0950 3.0950 3.3962 3.3962 3.4123 3.4123 3.5481 3.5481 7.5947 7.5947 7.8143 7.8143 7.9911 7.9911 8.9349 8.9349 9.4012 9.4012 k = 0.1042 0.1042 0.3106 ( 10440 PWs) bands (ev): -46.8225 -46.8225 -46.8166 -46.8166 -22.6037 -22.6037 -22.5567 -22.5567 -18.8950 -18.8950 -18.8685 -18.8685 -18.7250 -18.7250 -18.7077 -18.7077 -18.7000 -18.7000 -18.6733 -18.6733 -7.4229 -7.4229 -7.3351 -7.3351 -6.7648 -6.7648 -6.5827 -6.5827 -6.4704 -6.4704 -6.3723 -6.3723 -6.1002 -6.1002 -5.8803 -5.8803 2.3404 2.3404 2.7452 2.7452 3.1151 3.1151 3.3908 3.3908 3.4325 3.4325 3.5613 3.5613 7.5631 7.5631 7.7687 7.7687 7.9334 7.9334 8.8721 8.8721 9.4112 9.4112 k = 0.0938 0.0937 0.3106 ( 10434 PWs) bands (ev): -46.8226 -46.8226 -46.8166 -46.8166 -22.6044 -22.6044 -22.5564 -22.5564 -18.8953 -18.8953 -18.8683 -18.8683 -18.7254 -18.7254 -18.7078 -18.7078 -18.6998 -18.6998 -18.6728 -18.6728 -7.4186 -7.4186 -7.3343 -7.3343 -6.7585 -6.7585 -6.5790 -6.5790 -6.4730 -6.4730 -6.3700 -6.3700 -6.1150 -6.1150 -5.8813 -5.8813 2.3358 2.3358 2.7689 2.7689 3.1338 3.1338 3.3755 3.3755 3.4599 3.4599 3.5741 3.5741 7.5339 7.5339 7.7262 7.7262 7.8793 7.8793 8.8145 8.8145 9.4213 9.4213 k = 0.0833 0.0833 0.3106 ( 10442 PWs) bands (ev): -46.8227 -46.8227 -46.8165 -46.8165 -22.6050 -22.6050 -22.5561 -22.5561 -18.8955 -18.8955 -18.8681 -18.8681 -18.7258 -18.7258 -18.7078 -18.7078 -18.6996 -18.6996 -18.6723 -18.6723 -7.4142 -7.4142 -7.3340 -7.3340 -6.7522 -6.7522 -6.5758 -6.5758 -6.4765 -6.4765 -6.3654 -6.3654 -6.1305 -6.1305 -5.8822 -5.8822 2.3310 2.3310 2.7939 2.7939 3.1509 3.1509 3.3579 3.3579 3.4863 3.4863 3.5865 3.5865 7.5075 7.5075 7.6872 7.6872 7.8294 7.8294 8.7622 8.7622 9.4311 9.4311 k = 0.0729 0.0729 0.3106 ( 10450 PWs) bands (ev): -46.8227 -46.8227 -46.8165 -46.8165 -22.6055 -22.6055 -22.5558 -22.5558 -18.8958 -18.8958 -18.8679 -18.8679 -18.7261 -18.7261 -18.7079 -18.7079 -18.6994 -18.6994 -18.6719 -18.6719 -7.4097 -7.4097 -7.3341 -7.3341 -6.7460 -6.7460 -6.5730 -6.5730 -6.4808 -6.4808 -6.3587 -6.3587 -6.1466 -6.1466 -5.8830 -5.8830 2.3263 2.3263 2.8198 2.8198 3.1661 3.1661 3.3388 3.3388 3.5106 3.5106 3.5984 3.5984 7.4838 7.4838 7.6520 7.6520 7.7841 7.7841 8.7156 8.7156 9.4404 9.4404 k = 0.0625 0.0625 0.3106 ( 10440 PWs) bands (ev): -46.8228 -46.8228 -46.8164 -46.8164 -22.6060 -22.6060 -22.5556 -22.5556 -18.8960 -18.8960 -18.8677 -18.8677 -18.7265 -18.7265 -18.7079 -18.7079 -18.6992 -18.6992 -18.6715 -18.6715 -7.4053 -7.4053 -7.3346 -7.3346 -6.7401 -6.7401 -6.5707 -6.5707 -6.4854 -6.4854 -6.3500 -6.3500 -6.1632 -6.1632 -5.8837 -5.8837 2.3219 2.3219 2.8460 2.8460 3.1792 3.1792 3.3189 3.3189 3.5321 3.5321 3.6098 3.6098 7.4632 7.4632 7.6210 7.6210 7.7438 7.7438 8.6747 8.6747 9.4489 9.4489 k = 0.0521 0.0521 0.3106 ( 10446 PWs) bands (ev): -46.8228 -46.8228 -46.8164 -46.8164 -22.6064 -22.6064 -22.5554 -22.5554 -18.8962 -18.8962 -18.8675 -18.8675 -18.7268 -18.7268 -18.7080 -18.7080 -18.6991 -18.6991 -18.6711 -18.6711 -7.4010 -7.4010 -7.3355 -7.3355 -6.7347 -6.7347 -6.5689 -6.5689 -6.4900 -6.4900 -6.3395 -6.3395 -6.1800 -6.1800 -5.8843 -5.8843 2.3179 2.3179 2.8719 2.8719 3.1899 3.1899 3.2989 3.2989 3.5503 3.5503 3.6207 3.6207 7.4456 7.4456 7.5942 7.5942 7.7090 7.7090 8.6398 8.6398 9.4563 9.4563 k = 0.0417 0.0417 0.3106 ( 10454 PWs) bands (ev): -46.8228 -46.8228 -46.8164 -46.8164 -22.6067 -22.6067 -22.5552 -22.5552 -18.8963 -18.8963 -18.8674 -18.8674 -18.7270 -18.7270 -18.7080 -18.7080 -18.6990 -18.6990 -18.6709 -18.6709 -7.3971 -7.3971 -7.3366 -7.3366 -6.7299 -6.7299 -6.5675 -6.5675 -6.4943 -6.4943 -6.3276 -6.3276 -6.1971 -6.1971 -5.8848 -5.8848 2.3145 2.3145 2.8967 2.8967 3.1977 3.1977 3.2803 3.2803 3.5648 3.5648 3.6307 3.6307 7.4311 7.4311 7.5720 7.5720 7.6800 7.6800 8.6111 8.6111 9.4626 9.4626 k = 0.0312 0.0312 0.3106 ( 10454 PWs) bands (ev): -46.8229 -46.8229 -46.8163 -46.8163 -22.6069 -22.6069 -22.5550 -22.5550 -18.8964 -18.8964 -18.8673 -18.8673 -18.7272 -18.7272 -18.7080 -18.7080 -18.6989 -18.6989 -18.6706 -18.6706 -7.3937 -7.3937 -7.3377 -7.3377 -6.7259 -6.7259 -6.5666 -6.5666 -6.4979 -6.4979 -6.3145 -6.3145 -6.2141 -6.2141 -5.8852 -5.8852 2.3118 2.3118 2.9191 2.9191 3.2017 3.2017 3.2647 3.2647 3.5757 3.5757 3.6395 3.6395 7.4198 7.4198 7.5546 7.5546 7.6571 7.6571 8.5886 8.5886 9.4675 9.4675 k = 0.0208 0.0208 0.3106 ( 10454 PWs) bands (ev): -46.8229 -46.8229 -46.8163 -46.8163 -22.6071 -22.6071 -22.5550 -22.5550 -18.8965 -18.8965 -18.8673 -18.8673 -18.7274 -18.7274 -18.7080 -18.7080 -18.6989 -18.6989 -18.6705 -18.6705 -7.3911 -7.3911 -7.3388 -7.3388 -6.7229 -6.7229 -6.5660 -6.5660 -6.5006 -6.5006 -6.3007 -6.3007 -6.2307 -6.2307 -5.8854 -5.8854 2.3097 2.3097 2.9375 2.9375 3.2016 3.2016 3.2542 3.2542 3.5833 3.5833 3.6463 3.6463 7.4117 7.4117 7.5421 7.5421 7.6406 7.6406 8.5724 8.5724 9.4711 9.4711 k = 0.0104 0.0104 0.3106 ( 10462 PWs) bands (ev): -46.8229 -46.8229 -46.8163 -46.8163 -22.6072 -22.6072 -22.5549 -22.5549 -18.8966 -18.8966 -18.8673 -18.8673 -18.7275 -18.7275 -18.7080 -18.7080 -18.6989 -18.6989 -18.6704 -18.6704 -7.3894 -7.3894 -7.3395 -7.3395 -6.7210 -6.7210 -6.5657 -6.5657 -6.5023 -6.5023 -6.2871 -6.2871 -6.2459 -6.2459 -5.8856 -5.8856 2.3085 2.3085 2.9499 2.9499 3.1990 3.1990 3.2492 3.2492 3.5876 3.5876 3.6506 3.6506 7.4068 7.4068 7.5345 7.5345 7.6306 7.6306 8.5627 8.5627 9.4732 9.4732 k = 0.0000 0.0000 0.3106 ( 10446 PWs) bands (ev): -46.8229 -46.8229 -46.8163 -46.8163 -22.6073 -22.6073 -22.5549 -22.5549 -18.8966 -18.8966 -18.8672 -18.8672 -18.7275 -18.7275 -18.7080 -18.7080 -18.6988 -18.6988 -18.6703 -18.6703 -7.3888 -7.3888 -7.3397 -7.3397 -6.7204 -6.7204 -6.5656 -6.5656 -6.5029 -6.5029 -6.2791 -6.2791 -6.2545 -6.2545 -5.8856 -5.8856 2.3081 2.3081 2.9543 2.9543 3.1975 3.1975 3.2479 3.2479 3.5890 3.5890 3.6521 3.6521 7.4052 7.4052 7.5320 7.5320 7.6272 7.6272 8.5595 8.5595 9.4739 9.4739 k = 0.0000 0.5000-0.0000 ( 10432 PWs) bands (ev): -46.8196 -46.8196 -46.8196 -46.8196 -22.5770 -22.5770 -22.5770 -22.5770 -18.8810 -18.8810 -18.8810 -18.8810 -18.7059 -18.7059 -18.7059 -18.7059 -18.7001 -18.7001 -18.7001 -18.7001 -7.4426 -7.4426 -7.4426 -7.4426 -6.7486 -6.7486 -6.7486 -6.7486 -6.3801 -6.3801 -6.3801 -6.3801 -5.8895 -5.8895 -5.8895 -5.8895 2.3665 2.3665 2.3665 2.3665 3.2057 3.2057 3.2057 3.2057 3.3111 3.3111 3.3111 3.3111 8.1271 8.1271 8.1271 8.1271 8.5839 8.5839 8.5839 8.5839 9.4033 9.4033 k = 0.0000 0.5000 0.0148 ( 10432 PWs) bands (ev): -46.8196 -46.8196 -46.8196 -46.8196 -22.5770 -22.5770 -22.5770 -22.5770 -18.8810 -18.8810 -18.8810 -18.8810 -18.7059 -18.7059 -18.7059 -18.7059 -18.7001 -18.7001 -18.7001 -18.7001 -7.4428 -7.4428 -7.4428 -7.4428 -6.7487 -6.7487 -6.7487 -6.7487 -6.3799 -6.3799 -6.3799 -6.3799 -5.8894 -5.8894 -5.8894 -5.8894 2.3651 2.3651 2.3651 2.3651 3.2063 3.2063 3.2063 3.2063 3.3111 3.3111 3.3111 3.3111 8.1245 8.1245 8.1245 8.1245 8.5902 8.5902 8.5902 8.5902 9.4045 9.4045 k = 0.0000 0.5000 0.0296 ( 10444 PWs) bands (ev): -46.8196 -46.8196 -46.8196 -46.8196 -22.5770 -22.5770 -22.5770 -22.5770 -18.8810 -18.8810 -18.8810 -18.8810 -18.7059 -18.7059 -18.7059 -18.7059 -18.7001 -18.7001 -18.7001 -18.7001 -7.4432 -7.4432 -7.4432 -7.4432 -6.7489 -6.7489 -6.7489 -6.7489 -6.3796 -6.3796 -6.3796 -6.3796 -5.8888 -5.8888 -5.8888 -5.8888 2.3610 2.3610 2.3610 2.3610 3.2080 3.2080 3.2080 3.2080 3.3110 3.3110 3.3110 3.3110 8.1171 8.1171 8.1171 8.1171 8.6083 8.6083 8.6083 8.6083 9.4082 9.4082 k = 0.0000 0.5000 0.0444 ( 10420 PWs) bands (ev): -46.8196 -46.8196 -46.8196 -46.8196 -22.5770 -22.5770 -22.5770 -22.5770 -18.8810 -18.8810 -18.8810 -18.8810 -18.7059 -18.7059 -18.7059 -18.7059 -18.7001 -18.7001 -18.7001 -18.7001 -7.4438 -7.4438 -7.4438 -7.4438 -6.7493 -6.7493 -6.7493 -6.7493 -6.3789 -6.3789 -6.3789 -6.3789 -5.8878 -5.8878 -5.8878 -5.8878 2.3543 2.3543 2.3543 2.3543 3.2107 3.2107 3.2107 3.2107 3.3109 3.3109 3.3109 3.3109 8.1065 8.1065 8.1065 8.1065 8.6366 8.6366 8.6366 8.6366 9.4146 9.4146 k = 0.0000 0.5000 0.0592 ( 10416 PWs) bands (ev): -46.8196 -46.8196 -46.8196 -46.8196 -22.5770 -22.5770 -22.5770 -22.5770 -18.8809 -18.8809 -18.8809 -18.8809 -18.7059 -18.7059 -18.7059 -18.7059 -18.7001 -18.7001 -18.7001 -18.7001 -7.4446 -7.4446 -7.4446 -7.4446 -6.7498 -6.7498 -6.7498 -6.7498 -6.3781 -6.3781 -6.3781 -6.3781 -5.8866 -5.8866 -5.8866 -5.8866 2.3452 2.3452 2.3452 2.3452 3.2143 3.2143 3.2143 3.2143 3.3107 3.3107 3.3107 3.3107 8.0940 8.0940 8.0940 8.0940 8.6727 8.6727 8.6727 8.6727 9.4242 9.4242 k = 0.0000 0.5000 0.0740 ( 10418 PWs) bands (ev): -46.8196 -46.8196 -46.8196 -46.8196 -22.5770 -22.5770 -22.5770 -22.5770 -18.8809 -18.8809 -18.8809 -18.8809 -18.7059 -18.7059 -18.7059 -18.7059 -18.7001 -18.7001 -18.7001 -18.7001 -7.4457 -7.4457 -7.4457 -7.4457 -6.7504 -6.7504 -6.7504 -6.7504 -6.3770 -6.3770 -6.3770 -6.3770 -5.8849 -5.8849 -5.8849 -5.8849 2.3341 2.3341 2.3341 2.3341 3.2187 3.2187 3.2187 3.2187 3.3105 3.3105 3.3105 3.3105 8.0811 8.0811 8.0811 8.0811 8.7143 8.7143 8.7143 8.7143 9.4376 9.4376 k = 0.0000 0.5000 0.0887 ( 10420 PWs) bands (ev): -46.8196 -46.8196 -46.8196 -46.8196 -22.5770 -22.5770 -22.5770 -22.5770 -18.8810 -18.8810 -18.8810 -18.8810 -18.7059 -18.7059 -18.7059 -18.7059 -18.7001 -18.7001 -18.7001 -18.7001 -7.4469 -7.4469 -7.4469 -7.4469 -6.7511 -6.7511 -6.7511 -6.7511 -6.3758 -6.3758 -6.3758 -6.3758 -5.8831 -5.8831 -5.8831 -5.8831 2.3211 2.3211 2.3211 2.3211 3.2236 3.2236 3.2236 3.2236 3.3103 3.3103 3.3103 3.3103 8.0688 8.0688 8.0688 8.0688 8.7591 8.7591 8.7591 8.7591 9.4556 9.4556 k = 0.0000 0.5000 0.1035 ( 10418 PWs) bands (ev): -46.8196 -46.8196 -46.8196 -46.8196 -22.5770 -22.5770 -22.5770 -22.5770 -18.8809 -18.8809 -18.8809 -18.8809 -18.7059 -18.7059 -18.7059 -18.7059 -18.7001 -18.7001 -18.7001 -18.7001 -7.4483 -7.4483 -7.4483 -7.4483 -6.7518 -6.7518 -6.7518 -6.7518 -6.3745 -6.3745 -6.3745 -6.3745 -5.8809 -5.8809 -5.8809 -5.8809 2.3068 2.3068 2.3068 2.3068 3.2288 3.2288 3.2288 3.2288 3.3101 3.3101 3.3101 3.3101 8.0579 8.0579 8.0579 8.0579 8.8047 8.8047 8.8047 8.8047 9.4793 9.4793 k = 0.0000 0.5000 0.1183 ( 10416 PWs) bands (ev): -46.8196 -46.8196 -46.8196 -46.8196 -22.5770 -22.5770 -22.5770 -22.5770 -18.8809 -18.8809 -18.8809 -18.8809 -18.7058 -18.7058 -18.7058 -18.7058 -18.7001 -18.7001 -18.7001 -18.7001 -7.4499 -7.4499 -7.4499 -7.4499 -6.7527 -6.7527 -6.7527 -6.7527 -6.3730 -6.3730 -6.3730 -6.3730 -5.8786 -5.8786 -5.8786 -5.8786 2.2915 2.2915 2.2915 2.2915 3.2342 3.2342 3.2342 3.2342 3.3100 3.3100 3.3100 3.3100 8.0487 8.0487 8.0487 8.0487 8.8490 8.8490 8.8490 8.8490 9.5097 9.5097 k = 0.0000 0.5000 0.1331 ( 10418 PWs) bands (ev): -46.8196 -46.8196 -46.8196 -46.8196 -22.5770 -22.5770 -22.5770 -22.5770 -18.8809 -18.8809 -18.8809 -18.8809 -18.7059 -18.7059 -18.7059 -18.7059 -18.7001 -18.7001 -18.7001 -18.7001 -7.4515 -7.4515 -7.4515 -7.4515 -6.7535 -6.7535 -6.7535 -6.7535 -6.3715 -6.3715 -6.3715 -6.3715 -5.8761 -5.8761 -5.8761 -5.8761 2.2756 2.2756 2.2756 2.2756 3.2395 3.2395 3.2395 3.2395 3.3099 3.3099 3.3099 3.3099 8.0413 8.0413 8.0413 8.0413 8.8901 8.8901 8.8901 8.8901 9.5477 9.5477 k = 0.0000 0.5000 0.1479 ( 10406 PWs) bands (ev): -46.8196 -46.8196 -46.8196 -46.8196 -22.5770 -22.5770 -22.5770 -22.5770 -18.8809 -18.8809 -18.8809 -18.8809 -18.7058 -18.7058 -18.7058 -18.7058 -18.7000 -18.7000 -18.7000 -18.7000 -7.4532 -7.4532 -7.4532 -7.4532 -6.7544 -6.7544 -6.7544 -6.7544 -6.3700 -6.3700 -6.3700 -6.3700 -5.8735 -5.8735 -5.8735 -5.8735 2.2594 2.2594 2.2594 2.2594 3.2447 3.2447 3.2447 3.2447 3.3099 3.3099 3.3099 3.3099 8.0358 8.0358 8.0358 8.0358 8.9266 8.9266 8.9266 8.9266 9.5938 9.5938 k = 0.0000 0.5000 0.1627 ( 10402 PWs) bands (ev): -46.8196 -46.8196 -46.8196 -46.8196 -22.5770 -22.5770 -22.5770 -22.5770 -18.8809 -18.8809 -18.8809 -18.8809 -18.7058 -18.7058 -18.7058 -18.7058 -18.7000 -18.7000 -18.7000 -18.7000 -7.4548 -7.4548 -7.4548 -7.4548 -6.7553 -6.7553 -6.7553 -6.7553 -6.3684 -6.3684 -6.3684 -6.3684 -5.8709 -5.8709 -5.8709 -5.8709 2.2434 2.2434 2.2434 2.2434 3.2495 3.2495 3.2495 3.2495 3.3100 3.3100 3.3100 3.3100 8.0321 8.0321 8.0321 8.0321 8.9576 8.9576 8.9576 8.9576 9.6478 9.6478 k = 0.0000 0.5000 0.1775 ( 10408 PWs) bands (ev): -46.8196 -46.8196 -46.8196 -46.8196 -22.5770 -22.5770 -22.5770 -22.5770 -18.8809 -18.8809 -18.8809 -18.8809 -18.7058 -18.7058 -18.7058 -18.7058 -18.7000 -18.7000 -18.7000 -18.7000 -7.4565 -7.4565 -7.4565 -7.4565 -6.7561 -6.7561 -6.7561 -6.7561 -6.3670 -6.3670 -6.3670 -6.3670 -5.8683 -5.8683 -5.8683 -5.8683 2.2278 2.2278 2.2278 2.2278 3.2539 3.2539 3.2539 3.2539 3.3103 3.3103 3.3103 3.3103 8.0300 8.0300 8.0300 8.0300 8.9830 8.9830 8.9830 8.9830 9.7089 9.7089 k = 0.0000 0.5000 0.1923 ( 10396 PWs) bands (ev): -46.8196 -46.8196 -46.8196 -46.8196 -22.5770 -22.5770 -22.5770 -22.5770 -18.8809 -18.8809 -18.8809 -18.8809 -18.7058 -18.7058 -18.7058 -18.7058 -18.7000 -18.7000 -18.7000 -18.7000 -7.4581 -7.4581 -7.4581 -7.4581 -6.7569 -6.7569 -6.7569 -6.7569 -6.3655 -6.3655 -6.3655 -6.3655 -5.8658 -5.8658 -5.8658 -5.8658 2.2130 2.2130 2.2130 2.2130 3.2577 3.2577 3.2577 3.2577 3.3107 3.3107 3.3107 3.3107 8.0292 8.0292 8.0292 8.0292 9.0030 9.0030 9.0030 9.0030 9.7755 9.7755 k = 0.0000 0.5000 0.2071 ( 10392 PWs) bands (ev): -46.8196 -46.8196 -46.8196 -46.8196 -22.5770 -22.5770 -22.5770 -22.5770 -18.8809 -18.8809 -18.8809 -18.8809 -18.7058 -18.7058 -18.7058 -18.7058 -18.7000 -18.7000 -18.7000 -18.7000 -7.4596 -7.4596 -7.4596 -7.4596 -6.7577 -6.7577 -6.7577 -6.7577 -6.3642 -6.3642 -6.3642 -6.3642 -5.8634 -5.8634 -5.8634 -5.8634 2.1992 2.1992 2.1992 2.1992 3.2610 3.2610 3.2610 3.2610 3.3112 3.3112 3.3112 3.3112 8.0295 8.0295 8.0295 8.0295 9.0184 9.0184 9.0184 9.0184 9.8454 9.8454 k = 0.0000 0.5000 0.2219 ( 10404 PWs) bands (ev): -46.8196 -46.8196 -46.8196 -46.8196 -22.5770 -22.5770 -22.5770 -22.5770 -18.8809 -18.8809 -18.8809 -18.8809 -18.7058 -18.7058 -18.7058 -18.7058 -18.7000 -18.7000 -18.7000 -18.7000 -7.4610 -7.4610 -7.4610 -7.4610 -6.7584 -6.7584 -6.7584 -6.7584 -6.3630 -6.3630 -6.3630 -6.3630 -5.8612 -5.8612 -5.8612 -5.8612 2.1867 2.1867 2.1867 2.1867 3.2637 3.2637 3.2637 3.2637 3.3118 3.3118 3.3118 3.3118 8.0305 8.0305 8.0305 8.0305 9.0299 9.0299 9.0299 9.0299 9.9160 9.9160 k = 0.0000 0.5000 0.2367 ( 10398 PWs) bands (ev): -46.8196 -46.8196 -46.8196 -46.8196 -22.5770 -22.5770 -22.5770 -22.5770 -18.8809 -18.8809 -18.8809 -18.8809 -18.7058 -18.7058 -18.7058 -18.7058 -18.7000 -18.7000 -18.7000 -18.7000 -7.4622 -7.4622 -7.4622 -7.4622 -6.7590 -6.7590 -6.7590 -6.7590 -6.3620 -6.3620 -6.3620 -6.3620 -5.8593 -5.8593 -5.8593 -5.8593 2.1758 2.1758 2.1758 2.1758 3.2659 3.2659 3.2659 3.2659 3.3125 3.3125 3.3125 3.3125 8.0320 8.0320 8.0320 8.0320 9.0384 9.0384 9.0384 9.0384 9.9846 9.9846 k = 0.0000 0.5000 0.2515 ( 10416 PWs) bands (ev): -46.8196 -46.8196 -46.8196 -46.8196 -22.5770 -22.5770 -22.5770 -22.5770 -18.8809 -18.8809 -18.8809 -18.8809 -18.7058 -18.7058 -18.7058 -18.7058 -18.7001 -18.7001 -18.7001 -18.7001 -7.4632 -7.4632 -7.4632 -7.4632 -6.7595 -6.7595 -6.7595 -6.7595 -6.3611 -6.3611 -6.3611 -6.3611 -5.8576 -5.8576 -5.8576 -5.8576 2.1666 2.1666 2.1666 2.1666 3.2676 3.2676 3.2676 3.2676 3.3131 3.3131 3.3131 3.3131 8.0337 8.0337 8.0337 8.0337 9.0444 9.0444 9.0444 9.0444 10.0479 10.0480 k = 0.0000 0.5000 0.2662 ( 10402 PWs) bands (ev): -46.8196 -46.8196 -46.8196 -46.8196 -22.5770 -22.5770 -22.5770 -22.5770 -18.8809 -18.8809 -18.8809 -18.8809 -18.7058 -18.7058 -18.7058 -18.7058 -18.7000 -18.7000 -18.7000 -18.7000 -7.4640 -7.4640 -7.4640 -7.4640 -6.7599 -6.7599 -6.7599 -6.7599 -6.3604 -6.3604 -6.3604 -6.3604 -5.8563 -5.8563 -5.8563 -5.8563 2.1593 2.1593 2.1593 2.1593 3.2689 3.2689 3.2689 3.2689 3.3137 3.3137 3.3137 3.3137 8.0353 8.0353 8.0353 8.0353 9.0485 9.0485 9.0485 9.0485 10.1026 10.1026 k = 0.0000 0.5000 0.2810 ( 10380 PWs) bands (ev): -46.8195 -46.8195 -46.8195 -46.8195 -22.5770 -22.5770 -22.5770 -22.5770 -18.8809 -18.8809 -18.8809 -18.8809 -18.7058 -18.7058 -18.7058 -18.7058 -18.7000 -18.7000 -18.7000 -18.7000 -7.4646 -7.4646 -7.4646 -7.4646 -6.7601 -6.7601 -6.7601 -6.7601 -6.3599 -6.3599 -6.3599 -6.3599 -5.8553 -5.8553 -5.8553 -5.8553 2.1540 2.1540 2.1540 2.1540 3.2697 3.2697 3.2697 3.2697 3.3141 3.3141 3.3141 3.3141 8.0366 8.0366 8.0366 8.0366 9.0512 9.0512 9.0512 9.0512 10.1452 10.1452 k = 0.0000 0.5000 0.2958 ( 10384 PWs) bands (ev): -46.8195 -46.8195 -46.8195 -46.8195 -22.5770 -22.5770 -22.5770 -22.5770 -18.8809 -18.8809 -18.8809 -18.8809 -18.7058 -18.7058 -18.7058 -18.7058 -18.7000 -18.7000 -18.7000 -18.7000 -7.4650 -7.4650 -7.4650 -7.4650 -6.7603 -6.7603 -6.7603 -6.7603 -6.3596 -6.3596 -6.3596 -6.3596 -5.8547 -5.8547 -5.8547 -5.8547 2.1508 2.1508 2.1508 2.1508 3.2702 3.2702 3.2702 3.2702 3.3144 3.3144 3.3144 3.3144 8.0375 8.0375 8.0375 8.0375 9.0527 9.0527 9.0527 9.0527 10.1723 10.1723 k = 0.0000 0.5000 0.3106 ( 10388 PWs) bands (ev): -46.8196 -46.8196 -46.8196 -46.8196 -22.5770 -22.5770 -22.5770 -22.5770 -18.8809 -18.8809 -18.8809 -18.8809 -18.7058 -18.7058 -18.7058 -18.7058 -18.7000 -18.7000 -18.7000 -18.7000 -7.4651 -7.4651 -7.4651 -7.4651 -6.7604 -6.7604 -6.7604 -6.7604 -6.3595 -6.3595 -6.3595 -6.3595 -5.8545 -5.8545 -5.8545 -5.8545 2.1497 2.1497 2.1497 2.1497 3.2704 3.2704 3.2704 3.2704 3.3145 3.3145 3.3145 3.3145 8.0378 8.0378 8.0378 8.0378 9.0532 9.0532 9.0532 9.0532 10.1817 10.1817 k = 0.5000 0.5000-0.0000 ( 10384 PWs) bands (ev): -46.8195 -46.8195 -46.8195 -46.8195 -22.5731 -22.5731 -22.5731 -22.5731 -18.8866 -18.8866 -18.8866 -18.8866 -18.7238 -18.7238 -18.7238 -18.7238 -18.6786 -18.6786 -18.6786 -18.6786 -7.3785 -7.3785 -7.3785 -7.3785 -6.6240 -6.6240 -6.6240 -6.6240 -6.4277 -6.4277 -6.4277 -6.4277 -6.1427 -6.1427 -6.1427 -6.1427 2.5156 2.5156 2.5156 2.5156 3.0957 3.0957 3.0957 3.0957 3.1839 3.1839 3.1839 3.1839 7.9680 7.9680 7.9680 7.9680 8.0835 8.0835 8.0835 8.0835 11.1012 11.1012 k = 0.5000 0.5000 0.0148 ( 10400 PWs) bands (ev): -46.8195 -46.8195 -46.8195 -46.8195 -22.5731 -22.5731 -22.5731 -22.5731 -18.8866 -18.8866 -18.8866 -18.8866 -18.7238 -18.7238 -18.7238 -18.7238 -18.6787 -18.6787 -18.6787 -18.6787 -7.3785 -7.3785 -7.3785 -7.3785 -6.6242 -6.6242 -6.6242 -6.6242 -6.4278 -6.4278 -6.4278 -6.4278 -6.1422 -6.1422 -6.1422 -6.1422 2.5151 2.5151 2.5151 2.5151 3.0960 3.0960 3.0960 3.0960 3.1827 3.1827 3.1827 3.1827 7.9725 7.9725 7.9725 7.9725 8.0854 8.0854 8.0854 8.0854 11.0980 11.0980 k = 0.5000 0.5000 0.0296 ( 10416 PWs) bands (ev): -46.8195 -46.8195 -46.8195 -46.8195 -22.5731 -22.5731 -22.5731 -22.5731 -18.8866 -18.8866 -18.8866 -18.8866 -18.7238 -18.7238 -18.7238 -18.7238 -18.6787 -18.6787 -18.6787 -18.6787 -7.3787 -7.3787 -7.3787 -7.3787 -6.6250 -6.6250 -6.6250 -6.6250 -6.4282 -6.4282 -6.4282 -6.4282 -6.1406 -6.1406 -6.1406 -6.1406 2.5136 2.5136 2.5136 2.5136 3.0969 3.0969 3.0969 3.0969 3.1793 3.1793 3.1793 3.1793 7.9860 7.9860 7.9860 7.9860 8.0911 8.0911 8.0911 8.0911 11.0883 11.0883 k = 0.5000 0.5000 0.0444 ( 10408 PWs) bands (ev): -46.8195 -46.8195 -46.8195 -46.8195 -22.5731 -22.5731 -22.5731 -22.5731 -18.8866 -18.8866 -18.8866 -18.8866 -18.7238 -18.7238 -18.7238 -18.7238 -18.6787 -18.6787 -18.6787 -18.6787 -7.3789 -7.3789 -7.3789 -7.3789 -6.6262 -6.6262 -6.6262 -6.6262 -6.4289 -6.4289 -6.4289 -6.4289 -6.1380 -6.1380 -6.1380 -6.1380 2.5113 2.5113 2.5113 2.5113 3.0980 3.0980 3.0980 3.0980 3.1739 3.1739 3.1739 3.1739 8.0083 8.0083 8.0083 8.0083 8.1007 8.1007 8.1007 8.1007 11.0723 11.0723 k = 0.5000 0.5000 0.0592 ( 10408 PWs) bands (ev): -46.8195 -46.8195 -46.8195 -46.8195 -22.5731 -22.5731 -22.5731 -22.5731 -18.8866 -18.8866 -18.8866 -18.8866 -18.7238 -18.7238 -18.7238 -18.7238 -18.6787 -18.6787 -18.6787 -18.6787 -7.3791 -7.3791 -7.3791 -7.3791 -6.6278 -6.6278 -6.6278 -6.6278 -6.4298 -6.4298 -6.4298 -6.4298 -6.1345 -6.1345 -6.1345 -6.1345 2.5082 2.5082 2.5082 2.5082 3.0992 3.0992 3.0992 3.0992 3.1670 3.1670 3.1670 3.1670 8.0389 8.0389 8.0389 8.0389 8.1140 8.1140 8.1140 8.1140 11.0499 11.0499 k = 0.5000 0.5000 0.0740 ( 10408 PWs) bands (ev): -46.8195 -46.8195 -46.8195 -46.8195 -22.5731 -22.5731 -22.5731 -22.5731 -18.8866 -18.8866 -18.8866 -18.8866 -18.7238 -18.7238 -18.7238 -18.7238 -18.6787 -18.6787 -18.6787 -18.6787 -7.3795 -7.3795 -7.3795 -7.3795 -6.6299 -6.6299 -6.6299 -6.6299 -6.4308 -6.4308 -6.4308 -6.4308 -6.1302 -6.1302 -6.1302 -6.1302 2.5043 2.5043 2.5043 2.5043 3.0996 3.0996 3.0996 3.0996 3.1594 3.1594 3.1594 3.1594 8.0774 8.0774 8.0774 8.0774 8.1314 8.1314 8.1314 8.1314 11.0214 11.0214 k = 0.5000 0.5000 0.0887 ( 10400 PWs) bands (ev): -46.8195 -46.8195 -46.8195 -46.8195 -22.5731 -22.5731 -22.5731 -22.5731 -18.8866 -18.8866 -18.8866 -18.8866 -18.7238 -18.7238 -18.7238 -18.7238 -18.6787 -18.6787 -18.6787 -18.6787 -7.3799 -7.3799 -7.3799 -7.3799 -6.6322 -6.6322 -6.6322 -6.6322 -6.4320 -6.4320 -6.4320 -6.4320 -6.1253 -6.1253 -6.1253 -6.1253 2.4997 2.4997 2.4997 2.4997 3.0981 3.0981 3.0981 3.0981 3.1525 3.1525 3.1525 3.1525 8.1217 8.1217 8.1217 8.1217 8.1539 8.1539 8.1539 8.1539 10.9868 10.9868 k = 0.5000 0.5000 0.1035 ( 10416 PWs) bands (ev): -46.8195 -46.8195 -46.8195 -46.8195 -22.5731 -22.5731 -22.5731 -22.5731 -18.8866 -18.8866 -18.8866 -18.8866 -18.7238 -18.7238 -18.7238 -18.7238 -18.6787 -18.6787 -18.6787 -18.6787 -7.3803 -7.3803 -7.3803 -7.3803 -6.6349 -6.6349 -6.6349 -6.6349 -6.4332 -6.4332 -6.4332 -6.4332 -6.1198 -6.1198 -6.1198 -6.1198 2.4947 2.4947 2.4947 2.4947 3.0932 3.0932 3.0932 3.0932 3.1479 3.1479 3.1479 3.1479 8.1632 8.1632 8.1632 8.1632 8.1896 8.1896 8.1896 8.1896 10.9465 10.9465 k = 0.5000 0.5000 0.1183 ( 10404 PWs) bands (ev): -46.8195 -46.8195 -46.8195 -46.8195 -22.5731 -22.5731 -22.5731 -22.5731 -18.8866 -18.8866 -18.8866 -18.8866 -18.7238 -18.7238 -18.7238 -18.7238 -18.6787 -18.6787 -18.6787 -18.6787 -7.3808 -7.3808 -7.3808 -7.3808 -6.6377 -6.6377 -6.6377 -6.6377 -6.4345 -6.4345 -6.4345 -6.4345 -6.1138 -6.1138 -6.1138 -6.1138 2.4894 2.4894 2.4894 2.4894 3.0843 3.0843 3.0843 3.0843 3.1466 3.1466 3.1466 3.1466 8.1941 8.1941 8.1941 8.1941 8.2453 8.2453 8.2453 8.2453 10.9008 10.9008 k = 0.5000 0.5000 0.1331 ( 10396 PWs) bands (ev): -46.8195 -46.8195 -46.8195 -46.8195 -22.5731 -22.5731 -22.5731 -22.5731 -18.8866 -18.8866 -18.8866 -18.8866 -18.7238 -18.7238 -18.7238 -18.7238 -18.6787 -18.6787 -18.6787 -18.6787 -7.3813 -7.3813 -7.3813 -7.3813 -6.6407 -6.6407 -6.6407 -6.6407 -6.4358 -6.4358 -6.4358 -6.4358 -6.1077 -6.1077 -6.1077 -6.1077 2.4838 2.4838 2.4838 2.4838 3.0722 3.0722 3.0722 3.0722 3.1481 3.1481 3.1481 3.1481 8.2240 8.2240 8.2240 8.2240 8.3104 8.3104 8.3104 8.3104 10.8500 10.8500 k = 0.5000 0.5000 0.1479 ( 10400 PWs) bands (ev): -46.8195 -46.8195 -46.8195 -46.8195 -22.5731 -22.5731 -22.5731 -22.5731 -18.8866 -18.8866 -18.8866 -18.8866 -18.7238 -18.7238 -18.7238 -18.7238 -18.6787 -18.6787 -18.6787 -18.6787 -7.3819 -7.3819 -7.3819 -7.3819 -6.6438 -6.6438 -6.6438 -6.6438 -6.4371 -6.4371 -6.4371 -6.4371 -6.1015 -6.1015 -6.1015 -6.1015 2.4781 2.4781 2.4781 2.4781 3.0580 3.0580 3.0580 3.0580 3.1512 3.1512 3.1512 3.1512 8.2553 8.2553 8.2553 8.2553 8.3812 8.3812 8.3812 8.3812 10.7948 10.7948 k = 0.5000 0.5000 0.1627 ( 10416 PWs) bands (ev): -46.8195 -46.8195 -46.8195 -46.8195 -22.5731 -22.5731 -22.5731 -22.5731 -18.8867 -18.8867 -18.8867 -18.8867 -18.7238 -18.7238 -18.7238 -18.7238 -18.6787 -18.6787 -18.6787 -18.6787 -7.3824 -7.3824 -7.3824 -7.3824 -6.6468 -6.6468 -6.6468 -6.6468 -6.4383 -6.4383 -6.4383 -6.4383 -6.0952 -6.0952 -6.0952 -6.0952 2.4725 2.4725 2.4725 2.4725 3.0429 3.0429 3.0429 3.0429 3.1552 3.1552 3.1552 3.1552 8.2882 8.2882 8.2882 8.2882 8.4563 8.4563 8.4563 8.4563 10.7356 10.7356 k = 0.5000 0.5000 0.1775 ( 10424 PWs) bands (ev): -46.8195 -46.8195 -46.8195 -46.8195 -22.5731 -22.5731 -22.5731 -22.5731 -18.8867 -18.8867 -18.8867 -18.8867 -18.7238 -18.7238 -18.7238 -18.7238 -18.6787 -18.6787 -18.6787 -18.6787 -7.3830 -7.3830 -7.3830 -7.3830 -6.6497 -6.6497 -6.6497 -6.6497 -6.4394 -6.4394 -6.4394 -6.4394 -6.0892 -6.0892 -6.0892 -6.0892 2.4670 2.4670 2.4670 2.4670 3.0277 3.0277 3.0277 3.0277 3.1597 3.1597 3.1597 3.1597 8.3222 8.3222 8.3222 8.3222 8.5344 8.5344 8.5344 8.5344 10.6732 10.6732 k = 0.5000 0.5000 0.1923 ( 10420 PWs) bands (ev): -46.8195 -46.8195 -46.8195 -46.8195 -22.5731 -22.5731 -22.5731 -22.5731 -18.8867 -18.8867 -18.8867 -18.8867 -18.7238 -18.7238 -18.7238 -18.7238 -18.6787 -18.6787 -18.6787 -18.6787 -7.3835 -7.3835 -7.3835 -7.3835 -6.6525 -6.6525 -6.6525 -6.6525 -6.4404 -6.4404 -6.4404 -6.4404 -6.0835 -6.0835 -6.0835 -6.0835 2.4618 2.4618 2.4618 2.4618 3.0128 3.0128 3.0128 3.0128 3.1641 3.1641 3.1641 3.1641 8.3567 8.3567 8.3567 8.3567 8.6143 8.6143 8.6143 8.6143 10.6085 10.6085 k = 0.5000 0.5000 0.2071 ( 10404 PWs) bands (ev): -46.8195 -46.8195 -46.8195 -46.8195 -22.5731 -22.5731 -22.5731 -22.5731 -18.8866 -18.8866 -18.8866 -18.8866 -18.7238 -18.7238 -18.7238 -18.7238 -18.6787 -18.6787 -18.6787 -18.6787 -7.3840 -7.3840 -7.3840 -7.3840 -6.6551 -6.6551 -6.6551 -6.6551 -6.4414 -6.4414 -6.4414 -6.4414 -6.0781 -6.0781 -6.0781 -6.0781 2.4569 2.4569 2.4569 2.4569 2.9987 2.9987 2.9987 2.9987 3.1685 3.1685 3.1685 3.1685 8.3909 8.3909 8.3909 8.3909 8.6945 8.6945 8.6945 8.6945 10.5427 10.5427 k = 0.5000 0.5000 0.2219 ( 10420 PWs) bands (ev): -46.8195 -46.8195 -46.8195 -46.8195 -22.5731 -22.5731 -22.5731 -22.5731 -18.8867 -18.8867 -18.8867 -18.8867 -18.7238 -18.7238 -18.7238 -18.7238 -18.6787 -18.6787 -18.6787 -18.6787 -7.3845 -7.3845 -7.3845 -7.3845 -6.6575 -6.6575 -6.6575 -6.6575 -6.4422 -6.4422 -6.4422 -6.4422 -6.0733 -6.0733 -6.0733 -6.0733 2.4526 2.4526 2.4526 2.4526 2.9859 2.9859 2.9859 2.9859 3.1725 3.1725 3.1725 3.1725 8.4240 8.4240 8.4240 8.4240 8.7732 8.7732 8.7732 8.7732 10.4771 10.4771 k = 0.5000 0.5000 0.2367 ( 10388 PWs) bands (ev): -46.8195 -46.8195 -46.8195 -46.8195 -22.5731 -22.5731 -22.5731 -22.5731 -18.8866 -18.8866 -18.8866 -18.8866 -18.7237 -18.7237 -18.7237 -18.7237 -18.6787 -18.6787 -18.6787 -18.6787 -7.3849 -7.3849 -7.3849 -7.3849 -6.6596 -6.6596 -6.6596 -6.6596 -6.4429 -6.4429 -6.4429 -6.4429 -6.0691 -6.0691 -6.0691 -6.0691 2.4487 2.4487 2.4487 2.4487 2.9745 2.9745 2.9745 2.9745 3.1760 3.1760 3.1760 3.1760 8.4549 8.4549 8.4549 8.4549 8.8483 8.8483 8.8483 8.8483 10.4137 10.4137 k = 0.5000 0.5000 0.2515 ( 10376 PWs) bands (ev): -46.8195 -46.8195 -46.8195 -46.8195 -22.5731 -22.5731 -22.5731 -22.5731 -18.8866 -18.8866 -18.8866 -18.8866 -18.7237 -18.7237 -18.7237 -18.7237 -18.6787 -18.6787 -18.6787 -18.6787 -7.3852 -7.3852 -7.3852 -7.3852 -6.6613 -6.6613 -6.6613 -6.6613 -6.4435 -6.4435 -6.4435 -6.4435 -6.0655 -6.0655 -6.0655 -6.0655 2.4455 2.4455 2.4455 2.4455 2.9648 2.9648 2.9648 2.9648 3.1790 3.1790 3.1790 3.1790 8.4825 8.4825 8.4825 8.4825 8.9173 8.9173 8.9173 8.9173 10.3546 10.3546 k = 0.5000 0.5000 0.2662 ( 10420 PWs) bands (ev): -46.8195 -46.8195 -46.8195 -46.8195 -22.5731 -22.5731 -22.5731 -22.5731 -18.8867 -18.8867 -18.8867 -18.8867 -18.7238 -18.7238 -18.7238 -18.7238 -18.6787 -18.6787 -18.6787 -18.6787 -7.3855 -7.3855 -7.3855 -7.3855 -6.6627 -6.6627 -6.6627 -6.6627 -6.4440 -6.4440 -6.4440 -6.4440 -6.0627 -6.0627 -6.0627 -6.0627 2.4429 2.4429 2.4429 2.4429 2.9571 2.9571 2.9571 2.9571 3.1815 3.1815 3.1815 3.1815 8.5056 8.5056 8.5056 8.5056 8.9769 8.9769 8.9769 8.9769 10.3030 10.3030 k = 0.5000 0.5000 0.2810 ( 10420 PWs) bands (ev): -46.8195 -46.8195 -46.8195 -46.8195 -22.5731 -22.5731 -22.5731 -22.5731 -18.8867 -18.8867 -18.8867 -18.8867 -18.7238 -18.7238 -18.7238 -18.7238 -18.6787 -18.6787 -18.6787 -18.6787 -7.3857 -7.3857 -7.3857 -7.3857 -6.6637 -6.6637 -6.6637 -6.6637 -6.4443 -6.4443 -6.4443 -6.4443 -6.0606 -6.0606 -6.0606 -6.0606 2.4411 2.4411 2.4411 2.4411 2.9515 2.9515 2.9515 2.9515 3.1832 3.1832 3.1832 3.1832 8.5231 8.5231 8.5231 8.5231 9.0235 9.0235 9.0235 9.0235 10.2621 10.2621 k = 0.5000 0.5000 0.2958 ( 10432 PWs) bands (ev): -46.8195 -46.8195 -46.8195 -46.8195 -22.5731 -22.5731 -22.5731 -22.5731 -18.8867 -18.8867 -18.8867 -18.8867 -18.7238 -18.7238 -18.7238 -18.7238 -18.6788 -18.6788 -18.6788 -18.6788 -7.3859 -7.3859 -7.3859 -7.3859 -6.6643 -6.6643 -6.6643 -6.6643 -6.4445 -6.4445 -6.4445 -6.4445 -6.0594 -6.0594 -6.0594 -6.0594 2.4399 2.4399 2.4399 2.4399 2.9481 2.9481 2.9481 2.9481 3.1843 3.1843 3.1843 3.1843 8.5340 8.5340 8.5340 8.5340 9.0535 9.0535 9.0535 9.0535 10.2357 10.2357 k = 0.5000 0.5000 0.3106 ( 10432 PWs) bands (ev): -46.8195 -46.8195 -46.8195 -46.8195 -22.5731 -22.5731 -22.5731 -22.5731 -18.8867 -18.8867 -18.8867 -18.8867 -18.7238 -18.7238 -18.7238 -18.7238 -18.6788 -18.6788 -18.6788 -18.6788 -7.3859 -7.3859 -7.3859 -7.3859 -6.6645 -6.6645 -6.6645 -6.6645 -6.4445 -6.4445 -6.4445 -6.4445 -6.0590 -6.0590 -6.0590 -6.0590 2.4396 2.4396 2.4396 2.4396 2.9469 2.9469 2.9469 2.9469 3.1847 3.1847 3.1847 3.1847 8.5377 8.5377 8.5377 8.5377 9.0639 9.0639 9.0639 9.0639 10.2265 10.2265 Writing output data file RbNaS.save init_run : 0.36s CPU 0.52s WALL ( 1 calls) electrons : 287.42s CPU 290.68s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 287.41s CPU 290.67s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.10s CPU 0.15s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.08s CPU 0.16s WALL ( 304 calls) cegterg : 263.40s CPU 265.69s WALL ( 538 calls) Called by sum_band: Called by *egterg: h_psi : 164.90s CPU 166.55s WALL ( 8593 calls) s_psi : 9.68s CPU 9.57s WALL ( 8593 calls) g_psi : 0.56s CPU 0.59s WALL ( 7751 calls) cdiaghg : 65.27s CPU 66.07s WALL ( 8055 calls) cegterg:over : 14.28s CPU 14.24s WALL ( 7751 calls) cegterg:upda : 14.45s CPU 14.73s WALL ( 7751 calls) cegterg:last : 6.91s CPU 6.78s WALL ( 1146 calls) cdiaghg:chol : 3.74s CPU 3.81s WALL ( 8055 calls) cdiaghg:inve : 2.56s CPU 2.55s WALL ( 8055 calls) cdiaghg:para : 3.89s CPU 4.05s WALL ( 16110 calls) Called by h_psi: h_psi:vloc : 143.04s CPU 144.33s WALL ( 8593 calls) h_psi:vnl : 21.22s CPU 21.56s WALL ( 8593 calls) add_vuspsi : 10.72s CPU 10.88s WALL ( 8593 calls) General routines calbec : 10.48s CPU 10.66s WALL ( 8593 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 134.65s CPU 135.84s WALL ( 830060 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.33s CPU 0.56s WALL ( 608 calls) Parallel routines fft_scatter : 46.43s CPU 47.01s WALL ( 830083 calls) PWSCF : 5m16.86s CPU 5m40.39s WALL This run was terminated on: 21: 0:45 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=