Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:16:17 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: ./KMnSb.save/ file K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 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 53 53 15 3149 3149 469 Max 54 54 16 3156 3156 476 Sum 1941 1941 553 113531 113531 16975 bravais-lattice index = 14 lattice parameter (alat) = 8.7475 a.u. unit-cell volume = 1174.3036 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 58.00 number of Kohn-Sham states= 70 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 320.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.747542 celldm(2)= 1.000000 celldm(3)= 1.754375 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 1.754375 ) 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 0.570004 ) PseudoPot. # 1 for K read from file: /users/gautes/Pseudo/K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3dd1b7807415f540a701f2a402ca1bb0 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 1165 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 Mn read from file: /users/gautes/Pseudo/Mn.rel-pbe-oncvpsp.UPF MD5 check sum: d838f0974ec4eb0180564ac5264e0bcc Pseudo is Norm-conserving, Zval = 15.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 1464 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 PseudoPot. # 3 for Sb read from file: /users/gautes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential K 9.00 39.09830 K( 1.00) Mn 15.00 54.93800 Mn( 1.00) Sb 5.00 121.76000 Sb( 1.00) 16 Sym. Ops., with inversion, found (12 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 5 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 -1 0 ) f =( 0.5000000 ) ( -1 0 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) f =( 0.5000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) f =( -0.5000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) f =( -0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) f =( 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 9 inversion cryst. s( 9) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 9) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(10) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(10) = ( 1.0000000 0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 11 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(11) = ( 1.0000000 -0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 12 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(12) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(12) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 13 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(13) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(13) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(14) = ( 0 1 0 ) f =( -0.5000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(14) = ( 0.0000000 1.0000000 -0.0000000 ) f =( -0.5000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 15 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(15) = ( 0 1 0 ) f =( 0.5000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(15) = ( 0.0000000 -1.0000000 0.0000000 ) f =( 0.5000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 16 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(16) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(16) = ( -0.0000000 1.0000000 -0.0000000 ) f =( 0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) double point group D_4h(4/mmm) there are 14 classes and 4 irreducible representations the character table: E -E 2C4 -2C4 C2 2C2' 2C2'' i -i 2S4 -2S4 s_h -C2 -2C2' -2C2' -s_h G_6+ 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 2.00 -2.00 1.41 -1.41 0.00 G_7+ 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 2.00 -2.00 -1.41 1.41 0.00 G_6- 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 -2.00 2.00 -1.41 1.41 0.00 G_7- 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 -2.00 2.00 1.41 -1.41 0.00 2s_v 2s_d -2s_v -2s_d G_6+ 0.00 0.00 G_7+ 0.00 0.00 G_6- 0.00 0.00 G_7- 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C4 7 8 90 deg rotation - cart. axis [0,0,-1] -2C4 -7 -8 90 deg rotation - cart. axis [0,0,-1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 2C2'-2C2' 3 -3 4 -4 180 deg rotation - cart. axis [0,1,0] 2C2''-2C2' 5 -5 6 -6 180 deg rotation - cart. axis [1,1,0] i 9 inversion -i -9 inversion E 2S4 15 16 inv. 90 deg rotation - cart. axis [0,0,-1] -2S4 -15 -16 inv. 90 deg rotation - cart. axis [0,0,-1] E s_h -s_h 10 -10 inv. 180 deg rotation - cart. axis [0,0,1] 2s_v-2s_v 11 -11 12 -12 inv. 180 deg rotation - cart. axis [0,1,0] 2s_d-2s_d 13 -13 14 -14 inv. 180 deg rotation - cart. axis [1,1,0] Cartesian axes number of k points= 301 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033223 k( 2) = ( 0.0000000 0.0147059 -0.0000000), wk = 0.0033223 k( 3) = ( 0.0000000 0.0294118 -0.0000000), wk = 0.0033223 k( 4) = ( 0.0000000 0.0441177 -0.0000000), wk = 0.0033223 k( 5) = ( 0.0000000 0.0588235 -0.0000000), wk = 0.0033223 k( 6) = ( 0.0000000 0.0735294 -0.0000000), wk = 0.0033223 k( 7) = ( 0.0000000 0.0882353 -0.0000000), wk = 0.0033223 k( 8) = ( 0.0000000 0.1029412 -0.0000000), wk = 0.0033223 k( 9) = ( 0.0000000 0.1176471 -0.0000000), wk = 0.0033223 k( 10) = ( 0.0000000 0.1323529 -0.0000000), wk = 0.0033223 k( 11) = ( 0.0000000 0.1470588 -0.0000000), wk = 0.0033223 k( 12) = ( 0.0000000 0.1617647 -0.0000000), wk = 0.0033223 k( 13) = ( 0.0000000 0.1764706 -0.0000000), wk = 0.0033223 k( 14) = ( 0.0000000 0.1911765 -0.0000000), wk = 0.0033223 k( 15) = ( 0.0000000 0.2058823 -0.0000000), wk = 0.0033223 k( 16) = ( 0.0000000 0.2205882 -0.0000000), wk = 0.0033223 k( 17) = ( 0.0000000 0.2352941 -0.0000000), wk = 0.0033223 k( 18) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0033223 k( 19) = ( 0.0000000 0.2647059 -0.0000000), wk = 0.0033223 k( 20) = ( 0.0000000 0.2794118 -0.0000000), wk = 0.0033223 k( 21) = ( 0.0000000 0.2941177 -0.0000000), wk = 0.0033223 k( 22) = ( 0.0000000 0.3088235 -0.0000000), wk = 0.0033223 k( 23) = ( 0.0000000 0.3235294 -0.0000000), wk = 0.0033223 k( 24) = ( 0.0000000 0.3382353 -0.0000000), wk = 0.0033223 k( 25) = ( 0.0000000 0.3529412 -0.0000000), wk = 0.0033223 k( 26) = ( 0.0000000 0.3676471 -0.0000000), wk = 0.0033223 k( 27) = ( 0.0000000 0.3823529 -0.0000000), wk = 0.0033223 k( 28) = ( 0.0000000 0.3970588 -0.0000000), wk = 0.0033223 k( 29) = ( 0.0000000 0.4117647 -0.0000000), wk = 0.0033223 k( 30) = ( 0.0000000 0.4264706 -0.0000000), wk = 0.0033223 k( 31) = ( 0.0000000 0.4411765 -0.0000000), wk = 0.0033223 k( 32) = ( 0.0000000 0.4558823 -0.0000000), wk = 0.0033223 k( 33) = ( 0.0000000 0.4705882 -0.0000000), wk = 0.0033223 k( 34) = ( 0.0000000 0.4852941 -0.0000000), wk = 0.0033223 k( 35) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0033223 k( 36) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0033223 k( 37) = ( 0.0147059 0.5000000 -0.0000000), wk = 0.0033223 k( 38) = ( 0.0294118 0.5000000 -0.0000000), wk = 0.0033223 k( 39) = ( 0.0441177 0.5000000 -0.0000000), wk = 0.0033223 k( 40) = ( 0.0588235 0.5000000 -0.0000000), wk = 0.0033223 k( 41) = ( 0.0735294 0.5000000 -0.0000000), wk = 0.0033223 k( 42) = ( 0.0882353 0.5000000 -0.0000000), wk = 0.0033223 k( 43) = ( 0.1029412 0.5000000 -0.0000000), wk = 0.0033223 k( 44) = ( 0.1176471 0.5000000 -0.0000000), wk = 0.0033223 k( 45) = ( 0.1323529 0.5000000 -0.0000000), wk = 0.0033223 k( 46) = ( 0.1470588 0.5000000 -0.0000000), wk = 0.0033223 k( 47) = ( 0.1617647 0.5000000 -0.0000000), wk = 0.0033223 k( 48) = ( 0.1764706 0.5000000 -0.0000000), wk = 0.0033223 k( 49) = ( 0.1911765 0.5000000 -0.0000000), wk = 0.0033223 k( 50) = ( 0.2058823 0.5000000 -0.0000000), wk = 0.0033223 k( 51) = ( 0.2205882 0.5000000 -0.0000000), wk = 0.0033223 k( 52) = ( 0.2352941 0.5000000 -0.0000000), wk = 0.0033223 k( 53) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0033223 k( 54) = ( 0.2647059 0.5000000 -0.0000000), wk = 0.0033223 k( 55) = ( 0.2794118 0.5000000 -0.0000000), wk = 0.0033223 k( 56) = ( 0.2941177 0.5000000 -0.0000000), wk = 0.0033223 k( 57) = ( 0.3088235 0.5000000 -0.0000000), wk = 0.0033223 k( 58) = ( 0.3235294 0.5000000 -0.0000000), wk = 0.0033223 k( 59) = ( 0.3382353 0.5000000 -0.0000000), wk = 0.0033223 k( 60) = ( 0.3529412 0.5000000 -0.0000000), wk = 0.0033223 k( 61) = ( 0.3676471 0.5000000 -0.0000000), wk = 0.0033223 k( 62) = ( 0.3823529 0.5000000 -0.0000000), wk = 0.0033223 k( 63) = ( 0.3970588 0.5000000 -0.0000000), wk = 0.0033223 k( 64) = ( 0.4117647 0.5000000 -0.0000000), wk = 0.0033223 k( 65) = ( 0.4264706 0.5000000 -0.0000000), wk = 0.0033223 k( 66) = ( 0.4411765 0.5000000 -0.0000000), wk = 0.0033223 k( 67) = ( 0.4558823 0.5000000 -0.0000000), wk = 0.0033223 k( 68) = ( 0.4705882 0.5000000 -0.0000000), wk = 0.0033223 k( 69) = ( 0.4852941 0.5000000 -0.0000000), wk = 0.0033223 k( 70) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0033223 k( 71) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0033223 k( 72) = ( 0.4895833 0.4895833 -0.0000000), wk = 0.0033223 k( 73) = ( 0.4791667 0.4791667 -0.0000000), wk = 0.0033223 k( 74) = ( 0.4687500 0.4687500 -0.0000000), wk = 0.0033223 k( 75) = ( 0.4583333 0.4583333 -0.0000000), wk = 0.0033223 k( 76) = ( 0.4479167 0.4479167 -0.0000000), wk = 0.0033223 k( 77) = ( 0.4375000 0.4375000 -0.0000000), wk = 0.0033223 k( 78) = ( 0.4270833 0.4270833 -0.0000000), wk = 0.0033223 k( 79) = ( 0.4166667 0.4166667 -0.0000000), wk = 0.0033223 k( 80) = ( 0.4062500 0.4062500 -0.0000000), wk = 0.0033223 k( 81) = ( 0.3958333 0.3958333 -0.0000000), wk = 0.0033223 k( 82) = ( 0.3854167 0.3854167 -0.0000000), wk = 0.0033223 k( 83) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0033223 k( 84) = ( 0.3645833 0.3645833 -0.0000000), wk = 0.0033223 k( 85) = ( 0.3541667 0.3541667 -0.0000000), wk = 0.0033223 k( 86) = ( 0.3437500 0.3437500 -0.0000000), wk = 0.0033223 k( 87) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0033223 k( 88) = ( 0.3229167 0.3229167 -0.0000000), wk = 0.0033223 k( 89) = ( 0.3125000 0.3125000 -0.0000000), wk = 0.0033223 k( 90) = ( 0.3020833 0.3020833 -0.0000000), wk = 0.0033223 k( 91) = ( 0.2916667 0.2916667 -0.0000000), wk = 0.0033223 k( 92) = ( 0.2812500 0.2812500 -0.0000000), wk = 0.0033223 k( 93) = ( 0.2708333 0.2708333 -0.0000000), wk = 0.0033223 k( 94) = ( 0.2604167 0.2604167 -0.0000000), wk = 0.0033223 k( 95) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0033223 k( 96) = ( 0.2395833 0.2395833 -0.0000000), wk = 0.0033223 k( 97) = ( 0.2291667 0.2291667 -0.0000000), wk = 0.0033223 k( 98) = ( 0.2187500 0.2187500 -0.0000000), wk = 0.0033223 k( 99) = ( 0.2083333 0.2083333 -0.0000000), wk = 0.0033223 k( 100) = ( 0.1979167 0.1979167 -0.0000000), wk = 0.0033223 k( 101) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0033223 k( 102) = ( 0.1770833 0.1770833 -0.0000000), wk = 0.0033223 k( 103) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0033223 k( 104) = ( 0.1562500 0.1562500 -0.0000000), wk = 0.0033223 k( 105) = ( 0.1458333 0.1458333 -0.0000000), wk = 0.0033223 k( 106) = ( 0.1354167 0.1354167 -0.0000000), wk = 0.0033223 k( 107) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0033223 k( 108) = ( 0.1145833 0.1145833 -0.0000000), wk = 0.0033223 k( 109) = ( 0.1041667 0.1041667 -0.0000000), wk = 0.0033223 k( 110) = ( 0.0937500 0.0937500 -0.0000000), wk = 0.0033223 k( 111) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0033223 k( 112) = ( 0.0729167 0.0729167 -0.0000000), wk = 0.0033223 k( 113) = ( 0.0625000 0.0625000 -0.0000000), wk = 0.0033223 k( 114) = ( 0.0520833 0.0520833 -0.0000000), wk = 0.0033223 k( 115) = ( 0.0416667 0.0416667 -0.0000000), wk = 0.0033223 k( 116) = ( 0.0312500 0.0312500 -0.0000000), wk = 0.0033223 k( 117) = ( 0.0208333 0.0208333 -0.0000000), wk = 0.0033223 k( 118) = ( 0.0104167 0.0104167 -0.0000000), wk = 0.0033223 k( 119) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033223 k( 120) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033223 k( 121) = ( 0.0000000 0.0000000 0.0142501), wk = 0.0033223 k( 122) = ( 0.0000000 0.0000000 0.0285002), wk = 0.0033223 k( 123) = ( 0.0000000 0.0000000 0.0427503), wk = 0.0033223 k( 124) = ( 0.0000000 0.0000000 0.0570004), wk = 0.0033223 k( 125) = ( 0.0000000 0.0000000 0.0712505), wk = 0.0033223 k( 126) = ( 0.0000000 0.0000000 0.0855006), wk = 0.0033223 k( 127) = ( 0.0000000 0.0000000 0.0997506), wk = 0.0033223 k( 128) = ( 0.0000000 0.0000000 0.1140007), wk = 0.0033223 k( 129) = ( 0.0000000 0.0000000 0.1282508), wk = 0.0033223 k( 130) = ( 0.0000000 0.0000000 0.1425009), wk = 0.0033223 k( 131) = ( 0.0000000 0.0000000 0.1567510), wk = 0.0033223 k( 132) = ( 0.0000000 0.0000000 0.1710011), wk = 0.0033223 k( 133) = ( 0.0000000 0.0000000 0.1852512), wk = 0.0033223 k( 134) = ( 0.0000000 0.0000000 0.1995013), wk = 0.0033223 k( 135) = ( 0.0000000 0.0000000 0.2137514), wk = 0.0033223 k( 136) = ( 0.0000000 0.0000000 0.2280015), wk = 0.0033223 k( 137) = ( 0.0000000 0.0000000 0.2422516), wk = 0.0033223 k( 138) = ( 0.0000000 0.0000000 0.2565017), wk = 0.0033223 k( 139) = ( 0.0000000 0.0000000 0.2707518), wk = 0.0033223 k( 140) = ( 0.0000000 0.0000000 0.2850018), wk = 0.0033223 k( 141) = ( 0.0000000 0.0000000 0.2850018), wk = 0.0033223 k( 142) = ( 0.0000000 0.0147059 0.2850018), wk = 0.0033223 k( 143) = ( 0.0000000 0.0294118 0.2850018), wk = 0.0033223 k( 144) = ( 0.0000000 0.0441177 0.2850018), wk = 0.0033223 k( 145) = ( 0.0000000 0.0588235 0.2850018), wk = 0.0033223 k( 146) = ( 0.0000000 0.0735294 0.2850018), wk = 0.0033223 k( 147) = ( 0.0000000 0.0882353 0.2850018), wk = 0.0033223 k( 148) = ( 0.0000000 0.1029412 0.2850018), wk = 0.0033223 k( 149) = ( 0.0000000 0.1176471 0.2850018), wk = 0.0033223 k( 150) = ( 0.0000000 0.1323529 0.2850018), wk = 0.0033223 k( 151) = ( 0.0000000 0.1470588 0.2850018), wk = 0.0033223 k( 152) = ( 0.0000000 0.1617647 0.2850018), wk = 0.0033223 k( 153) = ( 0.0000000 0.1764706 0.2850018), wk = 0.0033223 k( 154) = ( 0.0000000 0.1911765 0.2850018), wk = 0.0033223 k( 155) = ( 0.0000000 0.2058823 0.2850018), wk = 0.0033223 k( 156) = ( 0.0000000 0.2205882 0.2850018), wk = 0.0033223 k( 157) = ( 0.0000000 0.2352941 0.2850018), wk = 0.0033223 k( 158) = ( 0.0000000 0.2500000 0.2850018), wk = 0.0033223 k( 159) = ( 0.0000000 0.2647059 0.2850018), wk = 0.0033223 k( 160) = ( 0.0000000 0.2794118 0.2850018), wk = 0.0033223 k( 161) = ( 0.0000000 0.2941177 0.2850018), wk = 0.0033223 k( 162) = ( 0.0000000 0.3088235 0.2850018), wk = 0.0033223 k( 163) = ( 0.0000000 0.3235294 0.2850018), wk = 0.0033223 k( 164) = ( 0.0000000 0.3382353 0.2850018), wk = 0.0033223 k( 165) = ( 0.0000000 0.3529412 0.2850018), wk = 0.0033223 k( 166) = ( 0.0000000 0.3676471 0.2850018), wk = 0.0033223 k( 167) = ( 0.0000000 0.3823529 0.2850018), wk = 0.0033223 k( 168) = ( 0.0000000 0.3970588 0.2850018), wk = 0.0033223 k( 169) = ( 0.0000000 0.4117647 0.2850018), wk = 0.0033223 k( 170) = ( 0.0000000 0.4264706 0.2850018), wk = 0.0033223 k( 171) = ( 0.0000000 0.4411765 0.2850018), wk = 0.0033223 k( 172) = ( 0.0000000 0.4558823 0.2850018), wk = 0.0033223 k( 173) = ( 0.0000000 0.4705882 0.2850018), wk = 0.0033223 k( 174) = ( 0.0000000 0.4852941 0.2850018), wk = 0.0033223 k( 175) = ( 0.0000000 0.5000000 0.2850018), wk = 0.0033223 k( 176) = ( 0.0000000 0.5000000 0.2850018), wk = 0.0033223 k( 177) = ( 0.0147059 0.5000000 0.2850018), wk = 0.0033223 k( 178) = ( 0.0294118 0.5000000 0.2850018), wk = 0.0033223 k( 179) = ( 0.0441177 0.5000000 0.2850018), wk = 0.0033223 k( 180) = ( 0.0588235 0.5000000 0.2850018), wk = 0.0033223 k( 181) = ( 0.0735294 0.5000000 0.2850018), wk = 0.0033223 k( 182) = ( 0.0882353 0.5000000 0.2850018), wk = 0.0033223 k( 183) = ( 0.1029412 0.5000000 0.2850018), wk = 0.0033223 k( 184) = ( 0.1176471 0.5000000 0.2850018), wk = 0.0033223 k( 185) = ( 0.1323529 0.5000000 0.2850018), wk = 0.0033223 k( 186) = ( 0.1470588 0.5000000 0.2850018), wk = 0.0033223 k( 187) = ( 0.1617647 0.5000000 0.2850018), wk = 0.0033223 k( 188) = ( 0.1764706 0.5000000 0.2850018), wk = 0.0033223 k( 189) = ( 0.1911765 0.5000000 0.2850018), wk = 0.0033223 k( 190) = ( 0.2058823 0.5000000 0.2850018), wk = 0.0033223 k( 191) = ( 0.2205882 0.5000000 0.2850018), wk = 0.0033223 k( 192) = ( 0.2352941 0.5000000 0.2850018), wk = 0.0033223 k( 193) = ( 0.2500000 0.5000000 0.2850018), wk = 0.0033223 k( 194) = ( 0.2647059 0.5000000 0.2850018), wk = 0.0033223 k( 195) = ( 0.2794118 0.5000000 0.2850018), wk = 0.0033223 k( 196) = ( 0.2941177 0.5000000 0.2850018), wk = 0.0033223 k( 197) = ( 0.3088235 0.5000000 0.2850018), wk = 0.0033223 k( 198) = ( 0.3235294 0.5000000 0.2850018), wk = 0.0033223 k( 199) = ( 0.3382353 0.5000000 0.2850018), wk = 0.0033223 k( 200) = ( 0.3529412 0.5000000 0.2850018), wk = 0.0033223 k( 201) = ( 0.3676471 0.5000000 0.2850018), wk = 0.0033223 k( 202) = ( 0.3823529 0.5000000 0.2850018), wk = 0.0033223 k( 203) = ( 0.3970588 0.5000000 0.2850018), wk = 0.0033223 k( 204) = ( 0.4117647 0.5000000 0.2850018), wk = 0.0033223 k( 205) = ( 0.4264706 0.5000000 0.2850018), wk = 0.0033223 k( 206) = ( 0.4411765 0.5000000 0.2850018), wk = 0.0033223 k( 207) = ( 0.4558823 0.5000000 0.2850018), wk = 0.0033223 k( 208) = ( 0.4705882 0.5000000 0.2850018), wk = 0.0033223 k( 209) = ( 0.4852941 0.5000000 0.2850018), wk = 0.0033223 k( 210) = ( 0.5000000 0.5000000 0.2850018), wk = 0.0033223 k( 211) = ( 0.5000000 0.5000000 0.2850018), wk = 0.0033223 k( 212) = ( 0.4895833 0.4895833 0.2850018), wk = 0.0033223 k( 213) = ( 0.4791667 0.4791667 0.2850018), wk = 0.0033223 k( 214) = ( 0.4687500 0.4687500 0.2850018), wk = 0.0033223 k( 215) = ( 0.4583333 0.4583333 0.2850018), wk = 0.0033223 k( 216) = ( 0.4479167 0.4479167 0.2850018), wk = 0.0033223 k( 217) = ( 0.4375000 0.4375000 0.2850018), wk = 0.0033223 k( 218) = ( 0.4270833 0.4270833 0.2850018), wk = 0.0033223 k( 219) = ( 0.4166667 0.4166667 0.2850018), wk = 0.0033223 k( 220) = ( 0.4062500 0.4062500 0.2850018), wk = 0.0033223 k( 221) = ( 0.3958333 0.3958333 0.2850018), wk = 0.0033223 k( 222) = ( 0.3854167 0.3854167 0.2850018), wk = 0.0033223 k( 223) = ( 0.3750000 0.3750000 0.2850018), wk = 0.0033223 k( 224) = ( 0.3645833 0.3645833 0.2850018), wk = 0.0033223 k( 225) = ( 0.3541667 0.3541667 0.2850018), wk = 0.0033223 k( 226) = ( 0.3437500 0.3437500 0.2850018), wk = 0.0033223 k( 227) = ( 0.3333333 0.3333333 0.2850018), wk = 0.0033223 k( 228) = ( 0.3229167 0.3229167 0.2850018), wk = 0.0033223 k( 229) = ( 0.3125000 0.3125000 0.2850018), wk = 0.0033223 k( 230) = ( 0.3020833 0.3020833 0.2850018), wk = 0.0033223 k( 231) = ( 0.2916667 0.2916667 0.2850018), wk = 0.0033223 k( 232) = ( 0.2812500 0.2812500 0.2850018), wk = 0.0033223 k( 233) = ( 0.2708333 0.2708333 0.2850018), wk = 0.0033223 k( 234) = ( 0.2604167 0.2604167 0.2850018), wk = 0.0033223 k( 235) = ( 0.2500000 0.2500000 0.2850018), wk = 0.0033223 k( 236) = ( 0.2395833 0.2395833 0.2850018), wk = 0.0033223 k( 237) = ( 0.2291667 0.2291667 0.2850018), wk = 0.0033223 k( 238) = ( 0.2187500 0.2187500 0.2850018), wk = 0.0033223 k( 239) = ( 0.2083333 0.2083333 0.2850018), wk = 0.0033223 k( 240) = ( 0.1979167 0.1979167 0.2850018), wk = 0.0033223 k( 241) = ( 0.1875000 0.1875000 0.2850018), wk = 0.0033223 k( 242) = ( 0.1770833 0.1770833 0.2850018), wk = 0.0033223 k( 243) = ( 0.1666667 0.1666667 0.2850018), wk = 0.0033223 k( 244) = ( 0.1562500 0.1562500 0.2850018), wk = 0.0033223 k( 245) = ( 0.1458333 0.1458333 0.2850018), wk = 0.0033223 k( 246) = ( 0.1354167 0.1354167 0.2850018), wk = 0.0033223 k( 247) = ( 0.1250000 0.1250000 0.2850018), wk = 0.0033223 k( 248) = ( 0.1145833 0.1145833 0.2850018), wk = 0.0033223 k( 249) = ( 0.1041667 0.1041667 0.2850018), wk = 0.0033223 k( 250) = ( 0.0937500 0.0937500 0.2850018), wk = 0.0033223 k( 251) = ( 0.0833333 0.0833333 0.2850018), wk = 0.0033223 k( 252) = ( 0.0729167 0.0729167 0.2850018), wk = 0.0033223 k( 253) = ( 0.0625000 0.0625000 0.2850018), wk = 0.0033223 k( 254) = ( 0.0520833 0.0520833 0.2850018), wk = 0.0033223 k( 255) = ( 0.0416667 0.0416667 0.2850018), wk = 0.0033223 k( 256) = ( 0.0312500 0.0312500 0.2850018), wk = 0.0033223 k( 257) = ( 0.0208333 0.0208333 0.2850018), wk = 0.0033223 k( 258) = ( 0.0104167 0.0104167 0.2850018), wk = 0.0033223 k( 259) = ( 0.0000000 0.0000000 0.2850018), wk = 0.0033223 k( 260) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0033223 k( 261) = ( 0.0000000 0.5000000 0.0142501), wk = 0.0033223 k( 262) = ( 0.0000000 0.5000000 0.0285002), wk = 0.0033223 k( 263) = ( 0.0000000 0.5000000 0.0427503), wk = 0.0033223 k( 264) = ( 0.0000000 0.5000000 0.0570004), wk = 0.0033223 k( 265) = ( 0.0000000 0.5000000 0.0712505), wk = 0.0033223 k( 266) = ( 0.0000000 0.5000000 0.0855006), wk = 0.0033223 k( 267) = ( 0.0000000 0.5000000 0.0997506), wk = 0.0033223 k( 268) = ( 0.0000000 0.5000000 0.1140007), wk = 0.0033223 k( 269) = ( 0.0000000 0.5000000 0.1282508), wk = 0.0033223 k( 270) = ( 0.0000000 0.5000000 0.1425009), wk = 0.0033223 k( 271) = ( 0.0000000 0.5000000 0.1567510), wk = 0.0033223 k( 272) = ( 0.0000000 0.5000000 0.1710011), wk = 0.0033223 k( 273) = ( 0.0000000 0.5000000 0.1852512), wk = 0.0033223 k( 274) = ( 0.0000000 0.5000000 0.1995013), wk = 0.0033223 k( 275) = ( 0.0000000 0.5000000 0.2137514), wk = 0.0033223 k( 276) = ( 0.0000000 0.5000000 0.2280015), wk = 0.0033223 k( 277) = ( 0.0000000 0.5000000 0.2422516), wk = 0.0033223 k( 278) = ( 0.0000000 0.5000000 0.2565017), wk = 0.0033223 k( 279) = ( 0.0000000 0.5000000 0.2707518), wk = 0.0033223 k( 280) = ( 0.0000000 0.5000000 0.2850018), wk = 0.0033223 k( 281) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0033223 k( 282) = ( 0.5000000 0.5000000 0.0142501), wk = 0.0033223 k( 283) = ( 0.5000000 0.5000000 0.0285002), wk = 0.0033223 k( 284) = ( 0.5000000 0.5000000 0.0427503), wk = 0.0033223 k( 285) = ( 0.5000000 0.5000000 0.0570004), wk = 0.0033223 k( 286) = ( 0.5000000 0.5000000 0.0712505), wk = 0.0033223 k( 287) = ( 0.5000000 0.5000000 0.0855006), wk = 0.0033223 k( 288) = ( 0.5000000 0.5000000 0.0997506), wk = 0.0033223 k( 289) = ( 0.5000000 0.5000000 0.1140007), wk = 0.0033223 k( 290) = ( 0.5000000 0.5000000 0.1282508), wk = 0.0033223 k( 291) = ( 0.5000000 0.5000000 0.1425009), wk = 0.0033223 k( 292) = ( 0.5000000 0.5000000 0.1567510), wk = 0.0033223 k( 293) = ( 0.5000000 0.5000000 0.1710011), wk = 0.0033223 k( 294) = ( 0.5000000 0.5000000 0.1852512), wk = 0.0033223 k( 295) = ( 0.5000000 0.5000000 0.1995013), wk = 0.0033223 k( 296) = ( 0.5000000 0.5000000 0.2137514), wk = 0.0033223 k( 297) = ( 0.5000000 0.5000000 0.2280015), wk = 0.0033223 k( 298) = ( 0.5000000 0.5000000 0.2422516), wk = 0.0033223 k( 299) = ( 0.5000000 0.5000000 0.2565017), wk = 0.0033223 k( 300) = ( 0.5000000 0.5000000 0.2707518), wk = 0.0033223 k( 301) = ( 0.5000000 0.5000000 0.2850018), wk = 0.0033223 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033223 k( 2) = ( 0.0000000 0.0147059 -0.0000000), wk = 0.0033223 k( 3) = ( 0.0000000 0.0294118 -0.0000000), wk = 0.0033223 k( 4) = ( 0.0000000 0.0441177 -0.0000000), wk = 0.0033223 k( 5) = ( 0.0000000 0.0588235 -0.0000000), wk = 0.0033223 k( 6) = ( 0.0000000 0.0735294 0.0000000), wk = 0.0033223 k( 7) = ( 0.0000000 0.0882353 -0.0000000), wk = 0.0033223 k( 8) = ( 0.0000000 0.1029412 -0.0000000), wk = 0.0033223 k( 9) = ( 0.0000000 0.1176471 -0.0000000), wk = 0.0033223 k( 10) = ( 0.0000000 0.1323529 -0.0000000), wk = 0.0033223 k( 11) = ( 0.0000000 0.1470588 0.0000000), wk = 0.0033223 k( 12) = ( 0.0000000 0.1617647 -0.0000000), wk = 0.0033223 k( 13) = ( 0.0000000 0.1764706 -0.0000000), wk = 0.0033223 k( 14) = ( 0.0000000 0.1911765 -0.0000000), wk = 0.0033223 k( 15) = ( 0.0000000 0.2058823 -0.0000000), wk = 0.0033223 k( 16) = ( 0.0000000 0.2205882 -0.0000000), wk = 0.0033223 k( 17) = ( 0.0000000 0.2352941 -0.0000000), wk = 0.0033223 k( 18) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0033223 k( 19) = ( 0.0000000 0.2647059 -0.0000000), wk = 0.0033223 k( 20) = ( 0.0000000 0.2794118 -0.0000000), wk = 0.0033223 k( 21) = ( 0.0000000 0.2941177 -0.0000000), wk = 0.0033223 k( 22) = ( 0.0000000 0.3088235 -0.0000000), wk = 0.0033223 k( 23) = ( 0.0000000 0.3235294 -0.0000000), wk = 0.0033223 k( 24) = ( 0.0000000 0.3382353 0.0000000), wk = 0.0033223 k( 25) = ( 0.0000000 0.3529412 -0.0000000), wk = 0.0033223 k( 26) = ( 0.0000000 0.3676471 -0.0000000), wk = 0.0033223 k( 27) = ( 0.0000000 0.3823529 -0.0000000), wk = 0.0033223 k( 28) = ( 0.0000000 0.3970588 0.0000000), wk = 0.0033223 k( 29) = ( 0.0000000 0.4117647 -0.0000000), wk = 0.0033223 k( 30) = ( 0.0000000 0.4264706 -0.0000000), wk = 0.0033223 k( 31) = ( 0.0000000 0.4411765 -0.0000000), wk = 0.0033223 k( 32) = ( 0.0000000 0.4558823 -0.0000000), wk = 0.0033223 k( 33) = ( 0.0000000 0.4705882 -0.0000000), wk = 0.0033223 k( 34) = ( 0.0000000 0.4852941 -0.0000000), wk = 0.0033223 k( 35) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0033223 k( 36) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0033223 k( 37) = ( 0.0147059 0.5000000 -0.0000000), wk = 0.0033223 k( 38) = ( 0.0294118 0.5000000 0.0000000), wk = 0.0033223 k( 39) = ( 0.0441177 0.5000000 -0.0000000), wk = 0.0033223 k( 40) = ( 0.0588235 0.5000000 0.0000000), wk = 0.0033223 k( 41) = ( 0.0735294 0.5000000 -0.0000000), wk = 0.0033223 k( 42) = ( 0.0882353 0.5000000 0.0000000), wk = 0.0033223 k( 43) = ( 0.1029412 0.5000000 0.0000000), wk = 0.0033223 k( 44) = ( 0.1176471 0.5000000 -0.0000000), wk = 0.0033223 k( 45) = ( 0.1323529 0.5000000 -0.0000000), wk = 0.0033223 k( 46) = ( 0.1470588 0.5000000 0.0000000), wk = 0.0033223 k( 47) = ( 0.1617647 0.5000000 -0.0000000), wk = 0.0033223 k( 48) = ( 0.1764706 0.5000000 0.0000000), wk = 0.0033223 k( 49) = ( 0.1911765 0.5000000 0.0000000), wk = 0.0033223 k( 50) = ( 0.2058823 0.5000000 0.0000000), wk = 0.0033223 k( 51) = ( 0.2205882 0.5000000 -0.0000000), wk = 0.0033223 k( 52) = ( 0.2352941 0.5000000 -0.0000000), wk = 0.0033223 k( 53) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0033223 k( 54) = ( 0.2647059 0.5000000 0.0000000), wk = 0.0033223 k( 55) = ( 0.2794118 0.5000000 -0.0000000), wk = 0.0033223 k( 56) = ( 0.2941177 0.5000000 -0.0000000), wk = 0.0033223 k( 57) = ( 0.3088235 0.5000000 -0.0000000), wk = 0.0033223 k( 58) = ( 0.3235294 0.5000000 -0.0000000), wk = 0.0033223 k( 59) = ( 0.3382353 0.5000000 -0.0000000), wk = 0.0033223 k( 60) = ( 0.3529412 0.5000000 0.0000000), wk = 0.0033223 k( 61) = ( 0.3676471 0.5000000 0.0000000), wk = 0.0033223 k( 62) = ( 0.3823529 0.5000000 0.0000000), wk = 0.0033223 k( 63) = ( 0.3970588 0.5000000 -0.0000000), wk = 0.0033223 k( 64) = ( 0.4117647 0.5000000 -0.0000000), wk = 0.0033223 k( 65) = ( 0.4264706 0.5000000 -0.0000000), wk = 0.0033223 k( 66) = ( 0.4411765 0.5000000 0.0000000), wk = 0.0033223 k( 67) = ( 0.4558823 0.5000000 0.0000000), wk = 0.0033223 k( 68) = ( 0.4705882 0.5000000 -0.0000000), wk = 0.0033223 k( 69) = ( 0.4852941 0.5000000 0.0000000), wk = 0.0033223 k( 70) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0033223 k( 71) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0033223 k( 72) = ( 0.4895833 0.4895833 -0.0000000), wk = 0.0033223 k( 73) = ( 0.4791667 0.4791667 -0.0000000), wk = 0.0033223 k( 74) = ( 0.4687500 0.4687500 -0.0000000), wk = 0.0033223 k( 75) = ( 0.4583333 0.4583333 -0.0000000), wk = 0.0033223 k( 76) = ( 0.4479167 0.4479167 0.0000000), wk = 0.0033223 k( 77) = ( 0.4375000 0.4375000 0.0000000), wk = 0.0033223 k( 78) = ( 0.4270833 0.4270833 0.0000000), wk = 0.0033223 k( 79) = ( 0.4166667 0.4166667 0.0000000), wk = 0.0033223 k( 80) = ( 0.4062500 0.4062500 -0.0000000), wk = 0.0033223 k( 81) = ( 0.3958333 0.3958333 0.0000000), wk = 0.0033223 k( 82) = ( 0.3854167 0.3854167 -0.0000000), wk = 0.0033223 k( 83) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0033223 k( 84) = ( 0.3645833 0.3645833 0.0000000), wk = 0.0033223 k( 85) = ( 0.3541667 0.3541667 -0.0000000), wk = 0.0033223 k( 86) = ( 0.3437500 0.3437500 0.0000000), wk = 0.0033223 k( 87) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0033223 k( 88) = ( 0.3229167 0.3229167 -0.0000000), wk = 0.0033223 k( 89) = ( 0.3125000 0.3125000 0.0000000), wk = 0.0033223 k( 90) = ( 0.3020833 0.3020833 0.0000000), wk = 0.0033223 k( 91) = ( 0.2916667 0.2916667 0.0000000), wk = 0.0033223 k( 92) = ( 0.2812500 0.2812500 -0.0000000), wk = 0.0033223 k( 93) = ( 0.2708333 0.2708333 -0.0000000), wk = 0.0033223 k( 94) = ( 0.2604167 0.2604167 0.0000000), wk = 0.0033223 k( 95) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0033223 k( 96) = ( 0.2395833 0.2395833 -0.0000000), wk = 0.0033223 k( 97) = ( 0.2291667 0.2291667 0.0000000), wk = 0.0033223 k( 98) = ( 0.2187500 0.2187500 0.0000000), wk = 0.0033223 k( 99) = ( 0.2083333 0.2083333 0.0000000), wk = 0.0033223 k( 100) = ( 0.1979167 0.1979167 -0.0000000), wk = 0.0033223 k( 101) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0033223 k( 102) = ( 0.1770833 0.1770833 -0.0000000), wk = 0.0033223 k( 103) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0033223 k( 104) = ( 0.1562500 0.1562500 0.0000000), wk = 0.0033223 k( 105) = ( 0.1458333 0.1458333 0.0000000), wk = 0.0033223 k( 106) = ( 0.1354167 0.1354167 0.0000000), wk = 0.0033223 k( 107) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0033223 k( 108) = ( 0.1145833 0.1145833 -0.0000000), wk = 0.0033223 k( 109) = ( 0.1041667 0.1041667 -0.0000000), wk = 0.0033223 k( 110) = ( 0.0937500 0.0937500 -0.0000000), wk = 0.0033223 k( 111) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0033223 k( 112) = ( 0.0729167 0.0729167 -0.0000000), wk = 0.0033223 k( 113) = ( 0.0625000 0.0625000 0.0000000), wk = 0.0033223 k( 114) = ( 0.0520833 0.0520833 -0.0000000), wk = 0.0033223 k( 115) = ( 0.0416667 0.0416667 0.0000000), wk = 0.0033223 k( 116) = ( 0.0312500 0.0312500 0.0000000), wk = 0.0033223 k( 117) = ( 0.0208333 0.0208333 -0.0000000), wk = 0.0033223 k( 118) = ( 0.0104167 0.0104167 -0.0000000), wk = 0.0033223 k( 119) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033223 k( 120) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033223 k( 121) = ( 0.0000000 0.0000000 0.0250000), wk = 0.0033223 k( 122) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0033223 k( 123) = ( 0.0000000 0.0000000 0.0750000), wk = 0.0033223 k( 124) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0033223 k( 125) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0033223 k( 126) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0033223 k( 127) = ( 0.0000000 0.0000000 0.1750000), wk = 0.0033223 k( 128) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0033223 k( 129) = ( 0.0000000 0.0000000 0.2250000), wk = 0.0033223 k( 130) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0033223 k( 131) = ( 0.0000000 0.0000000 0.2750000), wk = 0.0033223 k( 132) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0033223 k( 133) = ( 0.0000000 0.0000000 0.3250000), wk = 0.0033223 k( 134) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0033223 k( 135) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0033223 k( 136) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0033223 k( 137) = ( 0.0000000 0.0000000 0.4250000), wk = 0.0033223 k( 138) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0033223 k( 139) = ( 0.0000000 0.0000000 0.4750000), wk = 0.0033223 k( 140) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033223 k( 141) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033223 k( 142) = ( 0.0000000 0.0147059 0.5000000), wk = 0.0033223 k( 143) = ( 0.0000000 0.0294118 0.5000000), wk = 0.0033223 k( 144) = ( 0.0000000 0.0441177 0.5000000), wk = 0.0033223 k( 145) = ( 0.0000000 0.0588235 0.5000000), wk = 0.0033223 k( 146) = ( 0.0000000 0.0735294 0.5000000), wk = 0.0033223 k( 147) = ( 0.0000000 0.0882353 0.5000000), wk = 0.0033223 k( 148) = ( 0.0000000 0.1029412 0.5000000), wk = 0.0033223 k( 149) = ( 0.0000000 0.1176471 0.5000000), wk = 0.0033223 k( 150) = ( 0.0000000 0.1323529 0.5000000), wk = 0.0033223 k( 151) = ( 0.0000000 0.1470588 0.5000000), wk = 0.0033223 k( 152) = ( 0.0000000 0.1617647 0.5000000), wk = 0.0033223 k( 153) = ( 0.0000000 0.1764706 0.5000000), wk = 0.0033223 k( 154) = ( 0.0000000 0.1911765 0.5000000), wk = 0.0033223 k( 155) = ( 0.0000000 0.2058823 0.5000000), wk = 0.0033223 k( 156) = ( 0.0000000 0.2205882 0.5000000), wk = 0.0033223 k( 157) = ( 0.0000000 0.2352941 0.5000000), wk = 0.0033223 k( 158) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0033223 k( 159) = ( 0.0000000 0.2647059 0.5000000), wk = 0.0033223 k( 160) = ( 0.0000000 0.2794118 0.5000000), wk = 0.0033223 k( 161) = ( 0.0000000 0.2941177 0.5000000), wk = 0.0033223 k( 162) = ( 0.0000000 0.3088235 0.5000000), wk = 0.0033223 k( 163) = ( 0.0000000 0.3235294 0.5000000), wk = 0.0033223 k( 164) = ( 0.0000000 0.3382353 0.5000000), wk = 0.0033223 k( 165) = ( 0.0000000 0.3529412 0.5000000), wk = 0.0033223 k( 166) = ( 0.0000000 0.3676471 0.5000000), wk = 0.0033223 k( 167) = ( 0.0000000 0.3823529 0.5000000), wk = 0.0033223 k( 168) = ( 0.0000000 0.3970588 0.5000000), wk = 0.0033223 k( 169) = ( 0.0000000 0.4117647 0.5000000), wk = 0.0033223 k( 170) = ( 0.0000000 0.4264706 0.5000000), wk = 0.0033223 k( 171) = ( 0.0000000 0.4411765 0.5000000), wk = 0.0033223 k( 172) = ( 0.0000000 0.4558823 0.5000000), wk = 0.0033223 k( 173) = ( 0.0000000 0.4705882 0.5000000), wk = 0.0033223 k( 174) = ( 0.0000000 0.4852941 0.5000000), wk = 0.0033223 k( 175) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0033223 k( 176) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0033223 k( 177) = ( 0.0147059 0.5000000 0.5000000), wk = 0.0033223 k( 178) = ( 0.0294118 0.5000000 0.5000000), wk = 0.0033223 k( 179) = ( 0.0441177 0.5000000 0.5000000), wk = 0.0033223 k( 180) = ( 0.0588235 0.5000000 0.5000000), wk = 0.0033223 k( 181) = ( 0.0735294 0.5000000 0.5000000), wk = 0.0033223 k( 182) = ( 0.0882353 0.5000000 0.5000000), wk = 0.0033223 k( 183) = ( 0.1029412 0.5000000 0.5000000), wk = 0.0033223 k( 184) = ( 0.1176471 0.5000000 0.5000000), wk = 0.0033223 k( 185) = ( 0.1323529 0.5000000 0.5000000), wk = 0.0033223 k( 186) = ( 0.1470588 0.5000000 0.5000000), wk = 0.0033223 k( 187) = ( 0.1617647 0.5000000 0.5000000), wk = 0.0033223 k( 188) = ( 0.1764706 0.5000000 0.5000000), wk = 0.0033223 k( 189) = ( 0.1911765 0.5000000 0.5000000), wk = 0.0033223 k( 190) = ( 0.2058823 0.5000000 0.5000000), wk = 0.0033223 k( 191) = ( 0.2205882 0.5000000 0.5000000), wk = 0.0033223 k( 192) = ( 0.2352941 0.5000000 0.5000000), wk = 0.0033223 k( 193) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0033223 k( 194) = ( 0.2647059 0.5000000 0.5000000), wk = 0.0033223 k( 195) = ( 0.2794118 0.5000000 0.5000000), wk = 0.0033223 k( 196) = ( 0.2941177 0.5000000 0.5000000), wk = 0.0033223 k( 197) = ( 0.3088235 0.5000000 0.5000000), wk = 0.0033223 k( 198) = ( 0.3235294 0.5000000 0.5000000), wk = 0.0033223 k( 199) = ( 0.3382353 0.5000000 0.5000000), wk = 0.0033223 k( 200) = ( 0.3529412 0.5000000 0.5000000), wk = 0.0033223 k( 201) = ( 0.3676471 0.5000000 0.5000000), wk = 0.0033223 k( 202) = ( 0.3823529 0.5000000 0.5000000), wk = 0.0033223 k( 203) = ( 0.3970588 0.5000000 0.5000000), wk = 0.0033223 k( 204) = ( 0.4117647 0.5000000 0.5000000), wk = 0.0033223 k( 205) = ( 0.4264706 0.5000000 0.5000000), wk = 0.0033223 k( 206) = ( 0.4411765 0.5000000 0.5000000), wk = 0.0033223 k( 207) = ( 0.4558823 0.5000000 0.5000000), wk = 0.0033223 k( 208) = ( 0.4705882 0.5000000 0.5000000), wk = 0.0033223 k( 209) = ( 0.4852941 0.5000000 0.5000000), wk = 0.0033223 k( 210) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033223 k( 211) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033223 k( 212) = ( 0.4895833 0.4895833 0.5000000), wk = 0.0033223 k( 213) = ( 0.4791667 0.4791667 0.5000000), wk = 0.0033223 k( 214) = ( 0.4687500 0.4687500 0.5000000), wk = 0.0033223 k( 215) = ( 0.4583333 0.4583333 0.5000000), wk = 0.0033223 k( 216) = ( 0.4479167 0.4479167 0.5000000), wk = 0.0033223 k( 217) = ( 0.4375000 0.4375000 0.5000000), wk = 0.0033223 k( 218) = ( 0.4270833 0.4270833 0.5000000), wk = 0.0033223 k( 219) = ( 0.4166667 0.4166667 0.5000000), wk = 0.0033223 k( 220) = ( 0.4062500 0.4062500 0.5000000), wk = 0.0033223 k( 221) = ( 0.3958333 0.3958333 0.5000000), wk = 0.0033223 k( 222) = ( 0.3854167 0.3854167 0.5000000), wk = 0.0033223 k( 223) = ( 0.3750000 0.3750000 0.5000000), wk = 0.0033223 k( 224) = ( 0.3645833 0.3645833 0.5000000), wk = 0.0033223 k( 225) = ( 0.3541667 0.3541667 0.5000000), wk = 0.0033223 k( 226) = ( 0.3437500 0.3437500 0.5000000), wk = 0.0033223 k( 227) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033223 k( 228) = ( 0.3229167 0.3229167 0.5000000), wk = 0.0033223 k( 229) = ( 0.3125000 0.3125000 0.5000000), wk = 0.0033223 k( 230) = ( 0.3020833 0.3020833 0.5000000), wk = 0.0033223 k( 231) = ( 0.2916667 0.2916667 0.5000000), wk = 0.0033223 k( 232) = ( 0.2812500 0.2812500 0.5000000), wk = 0.0033223 k( 233) = ( 0.2708333 0.2708333 0.5000000), wk = 0.0033223 k( 234) = ( 0.2604167 0.2604167 0.5000000), wk = 0.0033223 k( 235) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0033223 k( 236) = ( 0.2395833 0.2395833 0.5000000), wk = 0.0033223 k( 237) = ( 0.2291667 0.2291667 0.5000000), wk = 0.0033223 k( 238) = ( 0.2187500 0.2187500 0.5000000), wk = 0.0033223 k( 239) = ( 0.2083333 0.2083333 0.5000000), wk = 0.0033223 k( 240) = ( 0.1979167 0.1979167 0.5000000), wk = 0.0033223 k( 241) = ( 0.1875000 0.1875000 0.5000000), wk = 0.0033223 k( 242) = ( 0.1770833 0.1770833 0.5000000), wk = 0.0033223 k( 243) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0033223 k( 244) = ( 0.1562500 0.1562500 0.5000000), wk = 0.0033223 k( 245) = ( 0.1458333 0.1458333 0.5000000), wk = 0.0033223 k( 246) = ( 0.1354167 0.1354167 0.5000000), wk = 0.0033223 k( 247) = ( 0.1250000 0.1250000 0.5000000), wk = 0.0033223 k( 248) = ( 0.1145833 0.1145833 0.5000000), wk = 0.0033223 k( 249) = ( 0.1041667 0.1041667 0.5000000), wk = 0.0033223 k( 250) = ( 0.0937500 0.0937500 0.5000000), wk = 0.0033223 k( 251) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0033223 k( 252) = ( 0.0729167 0.0729167 0.5000000), wk = 0.0033223 k( 253) = ( 0.0625000 0.0625000 0.5000000), wk = 0.0033223 k( 254) = ( 0.0520833 0.0520833 0.5000000), wk = 0.0033223 k( 255) = ( 0.0416667 0.0416667 0.5000000), wk = 0.0033223 k( 256) = ( 0.0312500 0.0312500 0.5000000), wk = 0.0033223 k( 257) = ( 0.0208333 0.0208333 0.5000000), wk = 0.0033223 k( 258) = ( 0.0104167 0.0104167 0.5000000), wk = 0.0033223 k( 259) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033223 k( 260) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0033223 k( 261) = ( 0.0000000 0.5000000 0.0250000), wk = 0.0033223 k( 262) = ( 0.0000000 0.5000000 0.0500000), wk = 0.0033223 k( 263) = ( 0.0000000 0.5000000 0.0750000), wk = 0.0033223 k( 264) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0033223 k( 265) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0033223 k( 266) = ( 0.0000000 0.5000000 0.1500000), wk = 0.0033223 k( 267) = ( 0.0000000 0.5000000 0.1750000), wk = 0.0033223 k( 268) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0033223 k( 269) = ( 0.0000000 0.5000000 0.2250000), wk = 0.0033223 k( 270) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0033223 k( 271) = ( 0.0000000 0.5000000 0.2750000), wk = 0.0033223 k( 272) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0033223 k( 273) = ( 0.0000000 0.5000000 0.3250000), wk = 0.0033223 k( 274) = ( 0.0000000 0.5000000 0.3500000), wk = 0.0033223 k( 275) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0033223 k( 276) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0033223 k( 277) = ( 0.0000000 0.5000000 0.4250000), wk = 0.0033223 k( 278) = ( 0.0000000 0.5000000 0.4500000), wk = 0.0033223 k( 279) = ( 0.0000000 0.5000000 0.4750000), wk = 0.0033223 k( 280) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0033223 k( 281) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0033223 k( 282) = ( 0.5000000 0.5000000 0.0250000), wk = 0.0033223 k( 283) = ( 0.5000000 0.5000000 0.0500000), wk = 0.0033223 k( 284) = ( 0.5000000 0.5000000 0.0750000), wk = 0.0033223 k( 285) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0033223 k( 286) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0033223 k( 287) = ( 0.5000000 0.5000000 0.1500000), wk = 0.0033223 k( 288) = ( 0.5000000 0.5000000 0.1750000), wk = 0.0033223 k( 289) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0033223 k( 290) = ( 0.5000000 0.5000000 0.2250000), wk = 0.0033223 k( 291) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0033223 k( 292) = ( 0.5000000 0.5000000 0.2750000), wk = 0.0033223 k( 293) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0033223 k( 294) = ( 0.5000000 0.5000000 0.3250000), wk = 0.0033223 k( 295) = ( 0.5000000 0.5000000 0.3500000), wk = 0.0033223 k( 296) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0033223 k( 297) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0033223 k( 298) = ( 0.5000000 0.5000000 0.4250000), wk = 0.0033223 k( 299) = ( 0.5000000 0.5000000 0.4500000), wk = 0.0033223 k( 300) = ( 0.5000000 0.5000000 0.4750000), wk = 0.0033223 k( 301) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033223 Dense grid: 113531 G-vectors FFT dimensions: ( 50, 50, 90) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.86 Mb ( 806, 70) NL pseudopotentials 1.25 Mb ( 403, 204) Each V/rho on FFT grid 0.11 Mb ( 7500) Each G-vector array 0.02 Mb ( 3154) G-vector shells 0.01 Mb ( 1475) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 3.44 Mb ( 806, 280) Each subspace H/S matrix 0.07 Mb ( 70, 70) Each matrix 0.44 Mb ( 204, 2, 70) The potential is recalculated from file : ./KMnSb.save/charge-density.dat Starting wfc are 88 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.5 secs Computing kpt #: 2 total cpu time spent up to now is 4.7 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 7.3 secs Computing kpt #: 5 total cpu time spent up to now is 8.6 secs Computing kpt #: 6 total cpu time spent up to now is 9.9 secs Computing kpt #: 7 total cpu time spent up to now is 11.2 secs Computing kpt #: 8 total cpu time spent up to now is 12.5 secs Computing kpt #: 9 total cpu time spent up to now is 13.7 secs Computing kpt #: 10 total cpu time spent up to now is 15.0 secs Computing kpt #: 11 total cpu time spent up to now is 16.3 secs Computing kpt #: 12 total cpu time spent up to now is 17.5 secs Computing kpt #: 13 total cpu time spent up to now is 18.8 secs Computing kpt #: 14 total cpu time spent up to now is 20.0 secs Computing kpt #: 15 total cpu time spent up to now is 21.3 secs Computing kpt #: 16 total cpu time spent up to now is 22.5 secs Computing kpt #: 17 total cpu time spent up to now is 23.8 secs Computing kpt #: 18 total cpu time spent up to now is 25.1 secs Computing kpt #: 19 total cpu time spent up to now is 26.4 secs Computing kpt #: 20 total cpu time spent up to now is 27.7 secs Computing kpt #: 21 total cpu time spent up to now is 29.0 secs Computing kpt #: 22 total cpu time spent up to now is 30.3 secs Computing kpt #: 23 total cpu time spent up to now is 31.7 secs Computing kpt #: 24 total cpu time spent up to now is 33.1 secs Computing kpt #: 25 total cpu time spent up to now is 34.5 secs Computing kpt #: 26 total cpu time spent up to now is 35.9 secs Computing kpt #: 27 total cpu time spent up to now is 37.5 secs Computing kpt #: 28 total cpu time spent up to now is 39.1 secs Computing kpt #: 29 total cpu time spent up to now is 40.5 secs Computing kpt #: 30 total cpu time spent up to now is 42.0 secs Computing kpt #: 31 total cpu time spent up to now is 43.6 secs Computing kpt #: 32 total cpu time spent up to now is 45.0 secs Computing kpt #: 33 total cpu time spent up to now is 46.6 secs Computing kpt #: 34 total cpu time spent up to now is 48.1 secs Computing kpt #: 35 total cpu time spent up to now is 49.7 secs Computing kpt #: 36 total cpu time spent up to now is 51.3 secs Computing kpt #: 37 total cpu time spent up to now is 53.3 secs Computing kpt #: 38 total cpu time spent up to now is 55.3 secs Computing kpt #: 39 total cpu time spent up to now is 56.9 secs Computing kpt #: 40 total cpu time spent up to now is 58.9 secs Computing kpt #: 41 total cpu time spent up to now is 60.6 secs Computing kpt #: 42 total cpu time spent up to now is 62.2 secs Computing kpt #: 43 total cpu time spent up to now is 63.8 secs Computing kpt #: 44 total cpu time spent up to now is 65.4 secs Computing kpt #: 45 total cpu time spent up to now is 66.8 secs Computing kpt #: 46 total cpu time spent up to now is 68.1 secs Computing kpt #: 47 total cpu time spent up to now is 69.5 secs Computing kpt #: 48 total cpu time spent up to now is 70.9 secs Computing kpt #: 49 total cpu time spent up to now is 72.3 secs Computing kpt #: 50 total cpu time spent up to now is 73.6 secs Computing kpt #: 51 total cpu time spent up to now is 75.0 secs Computing kpt #: 52 total cpu time spent up to now is 76.3 secs Computing kpt #: 53 total cpu time spent up to now is 77.7 secs Computing kpt #: 54 total cpu time spent up to now is 79.1 secs Computing kpt #: 55 total cpu time spent up to now is 80.4 secs Computing kpt #: 56 total cpu time spent up to now is 81.8 secs Computing kpt #: 57 total cpu time spent up to now is 83.1 secs Computing kpt #: 58 total cpu time spent up to now is 84.5 secs Computing kpt #: 59 total cpu time spent up to now is 85.8 secs Computing kpt #: 60 total cpu time spent up to now is 87.2 secs Computing kpt #: 61 total cpu time spent up to now is 88.5 secs Computing kpt #: 62 total cpu time spent up to now is 89.9 secs Computing kpt #: 63 total cpu time spent up to now is 91.2 secs Computing kpt #: 64 total cpu time spent up to now is 92.6 secs Computing kpt #: 65 total cpu time spent up to now is 93.9 secs Computing kpt #: 66 total cpu time spent up to now is 95.2 secs Computing kpt #: 67 total cpu time spent up to now is 96.6 secs Computing kpt #: 68 total cpu time spent up to now is 98.0 secs Computing kpt #: 69 total cpu time spent up to now is 99.3 secs Computing kpt #: 70 total cpu time spent up to now is 100.5 secs Computing kpt #: 71 total cpu time spent up to now is 101.7 secs Computing kpt #: 72 total cpu time spent up to now is 103.1 secs Computing kpt #: 73 total cpu time spent up to now is 104.4 secs Computing kpt #: 74 total cpu time spent up to now is 105.7 secs Computing kpt #: 75 total cpu time spent up to now is 107.0 secs Computing kpt #: 76 total cpu time spent up to now is 108.3 secs Computing kpt #: 77 total cpu time spent up to now is 109.7 secs Computing kpt #: 78 total cpu time spent up to now is 110.9 secs Computing kpt #: 79 total cpu time spent up to now is 112.2 secs Computing kpt #: 80 total cpu time spent up to now is 113.4 secs Computing kpt #: 81 total cpu time spent up to now is 114.7 secs Computing kpt #: 82 total cpu time spent up to now is 115.9 secs Computing kpt #: 83 total cpu time spent up to now is 117.2 secs Computing kpt #: 84 total cpu time spent up to now is 118.4 secs Computing kpt #: 85 total cpu time spent up to now is 119.6 secs Computing kpt #: 86 total cpu time spent up to now is 120.9 secs Computing kpt #: 87 total cpu time spent up to now is 122.2 secs Computing kpt #: 88 total cpu time spent up to now is 123.5 secs Computing kpt #: 89 total cpu time spent up to now is 124.9 secs Computing kpt #: 90 total cpu time spent up to now is 126.4 secs Computing kpt #: 91 total cpu time spent up to now is 127.9 secs Computing kpt #: 92 total cpu time spent up to now is 129.5 secs Computing kpt #: 93 total cpu time spent up to now is 131.0 secs Computing kpt #: 94 total cpu time spent up to now is 132.4 secs Computing kpt #: 95 total cpu time spent up to now is 133.7 secs Computing kpt #: 96 total cpu time spent up to now is 135.1 secs Computing kpt #: 97 total cpu time spent up to now is 136.5 secs Computing kpt #: 98 total cpu time spent up to now is 137.9 secs Computing kpt #: 99 total cpu time spent up to now is 139.2 secs Computing kpt #: 100 total cpu time spent up to now is 140.6 secs Computing kpt #: 101 total cpu time spent up to now is 142.7 secs Computing kpt #: 102 total cpu time spent up to now is 144.0 secs Computing kpt #: 103 total cpu time spent up to now is 145.3 secs Computing kpt #: 104 total cpu time spent up to now is 146.6 secs Computing kpt #: 105 total cpu time spent up to now is 147.8 secs Computing kpt #: 106 total cpu time spent up to now is 149.1 secs Computing kpt #: 107 total cpu time spent up to now is 150.4 secs Computing kpt #: 108 total cpu time spent up to now is 151.6 secs Computing kpt #: 109 total cpu time spent up to now is 152.9 secs Computing kpt #: 110 total cpu time spent up to now is 154.1 secs Computing kpt #: 111 total cpu time spent up to now is 155.4 secs Computing kpt #: 112 total cpu time spent up to now is 156.7 secs Computing kpt #: 113 total cpu time spent up to now is 157.9 secs Computing kpt #: 114 total cpu time spent up to now is 159.2 secs Computing kpt #: 115 total cpu time spent up to now is 160.5 secs Computing kpt #: 116 total cpu time spent up to now is 161.8 secs Computing kpt #: 117 total cpu time spent up to now is 163.1 secs Computing kpt #: 118 total cpu time spent up to now is 164.4 secs Computing kpt #: 119 total cpu time spent up to now is 165.7 secs Computing kpt #: 120 total cpu time spent up to now is 167.0 secs Computing kpt #: 121 total cpu time spent up to now is 168.2 secs Computing kpt #: 122 total cpu time spent up to now is 169.5 secs Computing kpt #: 123 total cpu time spent up to now is 170.8 secs Computing kpt #: 124 total cpu time spent up to now is 172.1 secs Computing kpt #: 125 total cpu time spent up to now is 173.4 secs Computing kpt #: 126 total cpu time spent up to now is 174.7 secs Computing kpt #: 127 total cpu time spent up to now is 175.9 secs Computing kpt #: 128 total cpu time spent up to now is 177.2 secs Computing kpt #: 129 total cpu time spent up to now is 178.5 secs Computing kpt #: 130 total cpu time spent up to now is 179.8 secs Computing kpt #: 131 total cpu time spent up to now is 181.4 secs Computing kpt #: 132 total cpu time spent up to now is 182.9 secs Computing kpt #: 133 total cpu time spent up to now is 184.5 secs Computing kpt #: 134 total cpu time spent up to now is 186.0 secs Computing kpt #: 135 total cpu time spent up to now is 187.5 secs Computing kpt #: 136 total cpu time spent up to now is 189.0 secs Computing kpt #: 137 total cpu time spent up to now is 190.6 secs Computing kpt #: 138 total cpu time spent up to now is 191.9 secs Computing kpt #: 139 total cpu time spent up to now is 193.2 secs Computing kpt #: 140 total cpu time spent up to now is 194.5 secs Computing kpt #: 141 total cpu time spent up to now is 195.8 secs Computing kpt #: 142 total cpu time spent up to now is 197.2 secs Computing kpt #: 143 total cpu time spent up to now is 198.5 secs Computing kpt #: 144 total cpu time spent up to now is 199.9 secs Computing kpt #: 145 total cpu time spent up to now is 201.4 secs Computing kpt #: 146 total cpu time spent up to now is 202.8 secs Computing kpt #: 147 total cpu time spent up to now is 204.2 secs Computing kpt #: 148 total cpu time spent up to now is 205.6 secs Computing kpt #: 149 total cpu time spent up to now is 207.1 secs Computing kpt #: 150 total cpu time spent up to now is 208.7 secs Computing kpt #: 151 total cpu time spent up to now is 210.2 secs Computing kpt #: 152 total cpu time spent up to now is 211.6 secs Computing kpt #: 153 total cpu time spent up to now is 213.0 secs Computing kpt #: 154 total cpu time spent up to now is 214.3 secs Computing kpt #: 155 total cpu time spent up to now is 215.6 secs Computing kpt #: 156 total cpu time spent up to now is 216.9 secs Computing kpt #: 157 total cpu time spent up to now is 218.2 secs Computing kpt #: 158 total cpu time spent up to now is 219.4 secs Computing kpt #: 159 total cpu time spent up to now is 220.7 secs Computing kpt #: 160 total cpu time spent up to now is 222.0 secs Computing kpt #: 161 total cpu time spent up to now is 223.2 secs Computing kpt #: 162 total cpu time spent up to now is 224.5 secs Computing kpt #: 163 total cpu time spent up to now is 225.8 secs Computing kpt #: 164 total cpu time spent up to now is 227.0 secs Computing kpt #: 165 total cpu time spent up to now is 228.3 secs Computing kpt #: 166 total cpu time spent up to now is 229.6 secs Computing kpt #: 167 total cpu time spent up to now is 230.8 secs Computing kpt #: 168 total cpu time spent up to now is 232.1 secs Computing kpt #: 169 total cpu time spent up to now is 233.4 secs Computing kpt #: 170 total cpu time spent up to now is 234.6 secs Computing kpt #: 171 total cpu time spent up to now is 235.9 secs Computing kpt #: 172 total cpu time spent up to now is 237.2 secs Computing kpt #: 173 total cpu time spent up to now is 238.5 secs Computing kpt #: 174 total cpu time spent up to now is 239.8 secs Computing kpt #: 175 total cpu time spent up to now is 241.1 secs Computing kpt #: 176 total cpu time spent up to now is 242.4 secs Computing kpt #: 177 total cpu time spent up to now is 243.8 secs Computing kpt #: 178 total cpu time spent up to now is 245.2 secs Computing kpt #: 179 total cpu time spent up to now is 246.6 secs Computing kpt #: 180 total cpu time spent up to now is 248.1 secs Computing kpt #: 181 total cpu time spent up to now is 249.5 secs Computing kpt #: 182 total cpu time spent up to now is 250.9 secs Computing kpt #: 183 total cpu time spent up to now is 252.3 secs Computing kpt #: 184 total cpu time spent up to now is 253.7 secs Computing kpt #: 185 total cpu time spent up to now is 255.1 secs Computing kpt #: 186 total cpu time spent up to now is 256.5 secs Computing kpt #: 187 total cpu time spent up to now is 258.1 secs Computing kpt #: 188 total cpu time spent up to now is 259.7 secs Computing kpt #: 189 total cpu time spent up to now is 261.3 secs Computing kpt #: 190 total cpu time spent up to now is 262.9 secs Computing kpt #: 191 total cpu time spent up to now is 264.1 secs Computing kpt #: 192 total cpu time spent up to now is 265.7 secs Computing kpt #: 193 total cpu time spent up to now is 267.3 secs Computing kpt #: 194 total cpu time spent up to now is 268.9 secs Computing kpt #: 195 total cpu time spent up to now is 270.5 secs Computing kpt #: 196 total cpu time spent up to now is 271.8 secs Computing kpt #: 197 total cpu time spent up to now is 273.0 secs Computing kpt #: 198 total cpu time spent up to now is 274.6 secs Computing kpt #: 199 total cpu time spent up to now is 275.9 secs Computing kpt #: 200 total cpu time spent up to now is 277.1 secs Computing kpt #: 201 total cpu time spent up to now is 278.4 secs Computing kpt #: 202 total cpu time spent up to now is 279.7 secs Computing kpt #: 203 total cpu time spent up to now is 281.0 secs Computing kpt #: 204 total cpu time spent up to now is 282.2 secs Computing kpt #: 205 total cpu time spent up to now is 283.8 secs Computing kpt #: 206 total cpu time spent up to now is 285.1 secs Computing kpt #: 207 total cpu time spent up to now is 286.3 secs Computing kpt #: 208 total cpu time spent up to now is 287.6 secs Computing kpt #: 209 total cpu time spent up to now is 288.9 secs Computing kpt #: 210 total cpu time spent up to now is 290.1 secs Computing kpt #: 211 total cpu time spent up to now is 291.4 secs Computing kpt #: 212 total cpu time spent up to now is 293.3 secs Computing kpt #: 213 total cpu time spent up to now is 294.9 secs Computing kpt #: 214 total cpu time spent up to now is 296.4 secs Computing kpt #: 215 total cpu time spent up to now is 297.9 secs Computing kpt #: 216 total cpu time spent up to now is 299.4 secs Computing kpt #: 217 total cpu time spent up to now is 300.9 secs Computing kpt #: 218 total cpu time spent up to now is 302.3 secs Computing kpt #: 219 total cpu time spent up to now is 303.6 secs Computing kpt #: 220 total cpu time spent up to now is 304.8 secs Computing kpt #: 221 total cpu time spent up to now is 306.1 secs Computing kpt #: 222 total cpu time spent up to now is 307.3 secs Computing kpt #: 223 total cpu time spent up to now is 308.5 secs Computing kpt #: 224 total cpu time spent up to now is 309.7 secs Computing kpt #: 225 total cpu time spent up to now is 310.9 secs Computing kpt #: 226 total cpu time spent up to now is 312.1 secs Computing kpt #: 227 total cpu time spent up to now is 313.4 secs Computing kpt #: 228 total cpu time spent up to now is 314.6 secs Computing kpt #: 229 total cpu time spent up to now is 315.8 secs Computing kpt #: 230 total cpu time spent up to now is 317.1 secs Computing kpt #: 231 total cpu time spent up to now is 318.3 secs Computing kpt #: 232 total cpu time spent up to now is 319.5 secs Computing kpt #: 233 total cpu time spent up to now is 320.7 secs Computing kpt #: 234 total cpu time spent up to now is 322.0 secs Computing kpt #: 235 total cpu time spent up to now is 323.2 secs Computing kpt #: 236 total cpu time spent up to now is 324.4 secs Computing kpt #: 237 total cpu time spent up to now is 325.6 secs Computing kpt #: 238 total cpu time spent up to now is 326.8 secs Computing kpt #: 239 total cpu time spent up to now is 328.1 secs Computing kpt #: 240 total cpu time spent up to now is 329.3 secs Computing kpt #: 241 total cpu time spent up to now is 330.5 secs Computing kpt #: 242 total cpu time spent up to now is 331.7 secs Computing kpt #: 243 total cpu time spent up to now is 333.0 secs Computing kpt #: 244 total cpu time spent up to now is 334.2 secs Computing kpt #: 245 total cpu time spent up to now is 335.5 secs Computing kpt #: 246 total cpu time spent up to now is 336.8 secs Computing kpt #: 247 total cpu time spent up to now is 338.1 secs Computing kpt #: 248 total cpu time spent up to now is 339.5 secs Computing kpt #: 249 total cpu time spent up to now is 340.9 secs Computing kpt #: 250 total cpu time spent up to now is 342.3 secs Computing kpt #: 251 total cpu time spent up to now is 343.7 secs Computing kpt #: 252 total cpu time spent up to now is 345.1 secs Computing kpt #: 253 total cpu time spent up to now is 346.5 secs Computing kpt #: 254 total cpu time spent up to now is 347.9 secs Computing kpt #: 255 total cpu time spent up to now is 349.3 secs Computing kpt #: 256 total cpu time spent up to now is 350.6 secs Computing kpt #: 257 total cpu time spent up to now is 352.0 secs Computing kpt #: 258 total cpu time spent up to now is 353.3 secs Computing kpt #: 259 total cpu time spent up to now is 354.6 secs Computing kpt #: 260 total cpu time spent up to now is 356.2 secs Computing kpt #: 261 total cpu time spent up to now is 357.7 secs Computing kpt #: 262 total cpu time spent up to now is 359.6 secs Computing kpt #: 263 total cpu time spent up to now is 361.0 secs Computing kpt #: 264 total cpu time spent up to now is 362.3 secs Computing kpt #: 265 total cpu time spent up to now is 363.6 secs Computing kpt #: 266 total cpu time spent up to now is 364.9 secs Computing kpt #: 267 total cpu time spent up to now is 366.2 secs Computing kpt #: 268 total cpu time spent up to now is 367.5 secs Computing kpt #: 269 total cpu time spent up to now is 368.8 secs Computing kpt #: 270 total cpu time spent up to now is 370.1 secs Computing kpt #: 271 total cpu time spent up to now is 371.4 secs Computing kpt #: 272 total cpu time spent up to now is 372.6 secs Computing kpt #: 273 total cpu time spent up to now is 373.9 secs Computing kpt #: 274 total cpu time spent up to now is 375.1 secs Computing kpt #: 275 total cpu time spent up to now is 376.4 secs Computing kpt #: 276 total cpu time spent up to now is 377.7 secs Computing kpt #: 277 total cpu time spent up to now is 378.9 secs Computing kpt #: 278 total cpu time spent up to now is 380.2 secs Computing kpt #: 279 total cpu time spent up to now is 381.5 secs Computing kpt #: 280 total cpu time spent up to now is 382.7 secs Computing kpt #: 281 total cpu time spent up to now is 383.9 secs Computing kpt #: 282 total cpu time spent up to now is 385.1 secs Computing kpt #: 283 total cpu time spent up to now is 386.3 secs Computing kpt #: 284 total cpu time spent up to now is 387.5 secs Computing kpt #: 285 total cpu time spent up to now is 388.7 secs Computing kpt #: 286 total cpu time spent up to now is 389.9 secs Computing kpt #: 287 total cpu time spent up to now is 391.1 secs Computing kpt #: 288 total cpu time spent up to now is 392.3 secs Computing kpt #: 289 total cpu time spent up to now is 393.5 secs Computing kpt #: 290 total cpu time spent up to now is 394.7 secs Computing kpt #: 291 total cpu time spent up to now is 395.9 secs Computing kpt #: 292 total cpu time spent up to now is 397.2 secs Computing kpt #: 293 total cpu time spent up to now is 398.4 secs Computing kpt #: 294 total cpu time spent up to now is 399.6 secs Computing kpt #: 295 total cpu time spent up to now is 400.8 secs Computing kpt #: 296 total cpu time spent up to now is 402.0 secs Computing kpt #: 297 total cpu time spent up to now is 403.3 secs Computing kpt #: 298 total cpu time spent up to now is 404.5 secs Computing kpt #: 299 total cpu time spent up to now is 405.8 secs Computing kpt #: 300 total cpu time spent up to now is 407.0 secs Computing kpt #: 301 total cpu time spent up to now is 408.3 secs ethr = 1.72E-08, avg # of iterations = 18.1 total cpu time spent up to now is 408.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 14195 PWs) bands (ev): -71.7991 -71.7991 -71.7961 -71.7961 -41.5846 -41.5846 -41.5723 -41.5723 -40.4435 -40.4435 -40.4233 -40.4233 -40.2988 -40.2988 -40.2965 -40.2965 -24.4746 -24.4746 -24.4590 -24.4590 -8.2026 -8.2026 -8.1375 -8.1375 -7.9434 -7.9434 -7.9385 -7.9385 -7.8780 -7.8780 -7.8660 -7.8660 -3.0809 -3.0809 -2.2710 -2.2710 2.9363 2.9363 4.0591 4.0591 4.4577 4.4577 4.6026 4.6026 4.7630 4.7630 5.0455 5.0455 5.3185 5.3185 6.1298 6.1298 6.3160 6.3160 6.6256 6.6256 6.7481 6.7481 6.8124 6.8124 7.0617 7.0617 7.2423 7.2423 7.8805 7.8805 8.3642 8.3642 8.5823 8.5823 k = 0.0000 0.0147-0.0000 ( 14187 PWs) bands (ev): -71.7993 -71.7993 -71.7954 -71.7954 -41.5846 -41.5846 -41.5724 -41.5724 -40.4435 -40.4435 -40.4233 -40.4233 -40.2988 -40.2988 -40.2965 -40.2965 -24.4746 -24.4746 -24.4590 -24.4590 -8.2026 -8.2026 -8.1376 -8.1376 -7.9435 -7.9435 -7.9385 -7.9385 -7.8781 -7.8781 -7.8660 -7.8660 -3.0799 -3.0799 -2.2707 -2.2707 2.9375 2.9375 4.0590 4.0590 4.4576 4.4576 4.6026 4.6026 4.7606 4.7606 5.0426 5.0426 5.3199 5.3199 6.1340 6.1340 6.3155 6.3155 6.6238 6.6238 6.7445 6.7445 6.8086 6.8086 7.0643 7.0643 7.2447 7.2447 7.8752 7.8752 8.3664 8.3664 8.5822 8.5822 k = 0.0000 0.0294-0.0000 ( 14189 PWs) bands (ev): -71.7999 -71.7999 -71.7949 -71.7949 -41.5845 -41.5845 -41.5724 -41.5724 -40.4434 -40.4434 -40.4233 -40.4233 -40.2988 -40.2988 -40.2966 -40.2966 -24.4745 -24.4745 -24.4590 -24.4590 -8.2027 -8.2027 -8.1378 -8.1378 -7.9437 -7.9437 -7.9384 -7.9384 -7.8784 -7.8784 -7.8660 -7.8660 -3.0770 -3.0770 -2.2697 -2.2697 2.9410 2.9410 4.0584 4.0584 4.4547 4.4547 4.6001 4.6001 4.7534 4.7534 5.0341 5.0341 5.3217 5.3217 6.1399 6.1399 6.3135 6.3135 6.6208 6.6208 6.7330 6.7330 6.7965 6.7965 7.0704 7.0704 7.2514 7.2514 7.8596 7.8596 8.3690 8.3690 8.5788 8.5788 k = 0.0000 0.0441-0.0000 ( 14193 PWs) bands (ev): -71.7999 -71.7999 -71.7951 -71.7951 -41.5845 -41.5845 -41.5724 -41.5724 -40.4434 -40.4434 -40.4234 -40.4234 -40.2988 -40.2988 -40.2966 -40.2966 -24.4745 -24.4745 -24.4590 -24.4590 -8.2028 -8.2028 -8.1383 -8.1383 -7.9441 -7.9441 -7.9383 -7.9383 -7.8788 -7.8788 -7.8659 -7.8659 -3.0722 -3.0722 -2.2682 -2.2682 2.9474 2.9474 4.0563 4.0563 4.4471 4.4471 4.5935 4.5935 4.7419 4.7419 5.0216 5.0216 5.3257 5.3257 6.1467 6.1467 6.3142 6.3142 6.6172 6.6172 6.7186 6.7186 6.7824 6.7824 7.0815 7.0815 7.2608 7.2608 7.8339 7.8339 8.3697 8.3697 8.5710 8.5710 k = 0.0000 0.0588-0.0000 ( 14193 PWs) bands (ev): -71.8002 -71.8002 -71.7948 -71.7948 -41.5845 -41.5845 -41.5725 -41.5725 -40.4433 -40.4433 -40.4235 -40.4235 -40.2987 -40.2987 -40.2966 -40.2966 -24.4744 -24.4744 -24.4590 -24.4590 -8.2029 -8.2029 -8.1390 -8.1390 -7.9447 -7.9447 -7.9381 -7.9381 -7.8794 -7.8794 -7.8657 -7.8657 -3.0654 -3.0654 -2.2661 -2.2661 2.9561 2.9561 4.0542 4.0542 4.4378 4.4378 4.5872 4.5872 4.7256 4.7256 5.0061 5.0061 5.3315 5.3315 6.1546 6.1546 6.3135 6.3135 6.6071 6.6071 6.6991 6.6991 6.7666 6.7666 7.0931 7.0931 7.2728 7.2728 7.8004 7.8004 8.3733 8.3733 8.5654 8.5654 k = 0.0000 0.0735-0.0000 ( 14195 PWs) bands (ev): -71.8005 -71.8005 -71.7947 -71.7947 -41.5844 -41.5844 -41.5725 -41.5725 -40.4432 -40.4432 -40.4236 -40.4236 -40.2987 -40.2987 -40.2966 -40.2966 -24.4743 -24.4743 -24.4591 -24.4591 -8.2031 -8.2031 -8.1399 -8.1399 -7.9454 -7.9454 -7.9378 -7.9378 -7.8802 -7.8802 -7.8655 -7.8655 -3.0567 -3.0567 -2.2635 -2.2635 2.9674 2.9674 4.0506 4.0506 4.4234 4.4234 4.5793 4.5793 4.7047 4.7047 4.9887 4.9887 5.3357 5.3357 6.1650 6.1650 6.3133 6.3133 6.5996 6.5996 6.6755 6.6755 6.7491 6.7491 7.1084 7.1084 7.2858 7.2858 7.7593 7.7593 8.3757 8.3757 8.5605 8.5605 k = 0.0000 0.0882-0.0000 ( 14185 PWs) bands (ev): -71.8002 -71.8002 -71.7943 -71.7943 -41.5843 -41.5843 -41.5726 -41.5726 -40.4431 -40.4431 -40.4237 -40.4237 -40.2987 -40.2987 -40.2966 -40.2966 -24.4741 -24.4741 -24.4591 -24.4591 -8.2033 -8.2033 -8.1409 -8.1409 -7.9463 -7.9463 -7.9374 -7.9374 -7.8812 -7.8812 -7.8653 -7.8653 -3.0461 -3.0461 -2.2603 -2.2603 2.9810 2.9810 4.0459 4.0459 4.4051 4.4051 4.5719 4.5719 4.6801 4.6801 4.9709 4.9709 5.3421 5.3421 6.1752 6.1752 6.3137 6.3137 6.5934 6.5934 6.6516 6.6516 6.7316 6.7316 7.1245 7.1245 7.2998 7.2998 7.7136 7.7136 8.3776 8.3776 8.5606 8.5606 k = 0.0000 0.1029-0.0000 ( 14195 PWs) bands (ev): -71.8004 -71.8004 -71.7948 -71.7948 -41.5843 -41.5843 -41.5727 -41.5727 -40.4430 -40.4430 -40.4238 -40.4238 -40.2987 -40.2987 -40.2966 -40.2966 -24.4740 -24.4740 -24.4592 -24.4592 -8.2035 -8.2035 -8.1421 -8.1421 -7.9473 -7.9473 -7.9370 -7.9370 -7.8823 -7.8823 -7.8650 -7.8650 -3.0338 -3.0338 -2.2567 -2.2567 2.9966 2.9966 4.0376 4.0376 4.3815 4.3815 4.5643 4.5643 4.6526 4.6526 4.9532 4.9532 5.3503 5.3503 6.1824 6.1824 6.3122 6.3122 6.5819 6.5819 6.6247 6.6247 6.7114 6.7114 7.1363 7.1363 7.3116 7.3116 7.6645 7.6645 8.3762 8.3762 8.5668 8.5668 k = 0.0000 0.1176-0.0000 ( 14211 PWs) bands (ev): -71.8007 -71.8007 -71.7956 -71.7956 -41.5842 -41.5842 -41.5728 -41.5728 -40.4428 -40.4428 -40.4240 -40.4240 -40.2987 -40.2987 -40.2967 -40.2967 -24.4738 -24.4738 -24.4592 -24.4592 -8.2038 -8.2038 -8.1435 -8.1435 -7.9485 -7.9485 -7.9365 -7.9365 -7.8836 -7.8836 -7.8647 -7.8647 -3.0197 -3.0197 -2.2527 -2.2527 3.0145 3.0145 4.0245 4.0245 4.3519 4.3519 4.5554 4.5554 4.6251 4.6251 4.9361 4.9361 5.3602 5.3602 6.1884 6.1884 6.3111 6.3111 6.5655 6.5655 6.6011 6.6011 6.6895 6.6895 7.1509 7.1509 7.3209 7.3209 7.6125 7.6125 8.3700 8.3700 8.5800 8.5800 k = 0.0000 0.1324-0.0000 ( 14213 PWs) bands (ev): -71.8003 -71.8003 -71.7962 -71.7962 -41.5841 -41.5841 -41.5729 -41.5729 -40.4427 -40.4427 -40.4242 -40.4242 -40.2987 -40.2987 -40.2967 -40.2967 -24.4736 -24.4736 -24.4593 -24.4593 -8.2041 -8.2041 -8.1451 -8.1451 -7.9497 -7.9497 -7.9360 -7.9360 -7.8849 -7.8849 -7.8644 -7.8644 -3.0038 -3.0038 -2.2484 -2.2484 3.0345 3.0345 4.0069 4.0069 4.3173 4.3173 4.5438 4.5438 4.6022 4.6022 4.9207 4.9207 5.3713 5.3713 6.1944 6.1944 6.3106 6.3106 6.5472 6.5472 6.5834 6.5834 6.6702 6.6702 7.1708 7.1708 7.3284 7.3284 7.5598 7.5598 8.3589 8.3589 8.6012 8.6012 k = 0.0000 0.1471-0.0000 ( 14215 PWs) bands (ev): -71.8004 -71.8004 -71.7963 -71.7963 -41.5840 -41.5840 -41.5730 -41.5730 -40.4425 -40.4425 -40.4244 -40.4244 -40.2987 -40.2987 -40.2967 -40.2967 -24.4734 -24.4734 -24.4594 -24.4594 -8.2044 -8.2044 -8.1468 -8.1468 -7.9509 -7.9509 -7.9355 -7.9355 -7.8864 -7.8864 -7.8641 -7.8641 -2.9863 -2.9863 -2.2439 -2.2439 3.0564 3.0564 3.9847 3.9847 4.2793 4.2793 4.5286 4.5286 4.5872 4.5872 4.9057 4.9057 5.3822 5.3822 6.1980 6.1980 6.3102 6.3102 6.5248 6.5248 6.5660 6.5660 6.6487 6.6487 7.1909 7.1909 7.3337 7.3337 7.5096 7.5096 8.3451 8.3451 8.6301 8.6301 k = 0.0000 0.1618-0.0000 ( 14215 PWs) bands (ev): -71.8000 -71.8000 -71.7966 -71.7966 -41.5839 -41.5839 -41.5732 -41.5732 -40.4423 -40.4423 -40.4246 -40.4246 -40.2987 -40.2987 -40.2967 -40.2967 -24.4731 -24.4731 -24.4595 -24.4595 -8.2048 -8.2048 -8.1487 -8.1487 -7.9522 -7.9522 -7.9350 -7.9350 -7.8878 -7.8878 -7.8638 -7.8638 -2.9672 -2.9672 -2.2393 -2.2393 3.0797 3.0797 3.9560 3.9560 4.2381 4.2381 4.5104 4.5104 4.5796 4.5796 4.8917 4.8917 5.3980 5.3980 6.1984 6.1984 6.3092 6.3092 6.5021 6.5021 6.5503 6.5503 6.6270 6.6270 7.2103 7.2103 7.3343 7.3343 7.4630 7.4630 8.3284 8.3284 8.6654 8.6654 k = 0.0000 0.1765-0.0000 ( 14201 PWs) bands (ev): -71.7994 -71.7994 -71.7962 -71.7962 -41.5837 -41.5837 -41.5733 -41.5733 -40.4421 -40.4421 -40.4248 -40.4248 -40.2986 -40.2986 -40.2968 -40.2968 -24.4729 -24.4729 -24.4596 -24.4596 -8.2052 -8.2052 -8.1507 -8.1507 -7.9535 -7.9535 -7.9346 -7.9346 -7.8893 -7.8893 -7.8636 -7.8636 -2.9465 -2.9465 -2.2346 -2.2346 3.1043 3.1043 3.9215 3.9215 4.1943 4.1943 4.4938 4.4938 4.5777 4.5777 4.8784 4.8784 5.4144 5.4144 6.1973 6.1973 6.3086 6.3086 6.4817 6.4817 6.5383 6.5383 6.6054 6.6054 7.2327 7.2327 7.3305 7.3305 7.4215 7.4215 8.3098 8.3098 8.7060 8.7060 k = 0.0000 0.1912-0.0000 ( 14207 PWs) bands (ev): -71.8000 -71.8000 -71.7960 -71.7960 -41.5835 -41.5835 -41.5735 -41.5735 -40.4418 -40.4418 -40.4251 -40.4251 -40.2986 -40.2986 -40.2968 -40.2968 -24.4726 -24.4726 -24.4597 -24.4597 -8.2056 -8.2056 -8.1529 -8.1529 -7.9548 -7.9548 -7.9342 -7.9342 -7.8907 -7.8907 -7.8633 -7.8633 -2.9245 -2.9245 -2.2299 -2.2299 3.1295 3.1295 3.8803 3.8803 4.1487 4.1487 4.4805 4.4805 4.5781 4.5781 4.8653 4.8653 5.4301 5.4301 6.1906 6.1906 6.3035 6.3035 6.4610 6.4610 6.5216 6.5216 6.5822 6.5822 7.2545 7.2545 7.3167 7.3167 7.3875 7.3875 8.2885 8.2885 8.7511 8.7511 k = 0.0000 0.2059-0.0000 ( 14213 PWs) bands (ev): -71.8004 -71.8004 -71.7961 -71.7961 -41.5834 -41.5834 -41.5736 -41.5736 -40.4415 -40.4415 -40.4254 -40.4254 -40.2986 -40.2986 -40.2969 -40.2969 -24.4723 -24.4723 -24.4598 -24.4598 -8.2060 -8.2060 -8.1552 -8.1552 -7.9560 -7.9560 -7.9339 -7.9339 -7.8919 -7.8919 -7.8632 -7.8632 -2.9012 -2.9012 -2.2254 -2.2254 3.1554 3.1554 3.8335 3.8335 4.1031 4.1031 4.4708 4.4708 4.5799 4.5799 4.8527 4.8527 5.4471 5.4471 6.1822 6.1822 6.2996 6.2996 6.4434 6.4434 6.5021 6.5021 6.5581 6.5581 7.2715 7.2715 7.2952 7.2952 7.3642 7.3642 8.2646 8.2646 8.8004 8.8004 k = 0.0000 0.2206-0.0000 ( 14219 PWs) bands (ev): -71.8008 -71.8008 -71.7961 -71.7961 -41.5832 -41.5832 -41.5738 -41.5738 -40.4412 -40.4412 -40.4257 -40.4257 -40.2986 -40.2986 -40.2969 -40.2969 -24.4720 -24.4720 -24.4599 -24.4599 -8.2065 -8.2065 -8.1576 -8.1576 -7.9572 -7.9572 -7.9338 -7.9338 -7.8930 -7.8930 -7.8631 -7.8631 -2.8766 -2.8766 -2.2212 -2.2212 3.1810 3.1810 3.7819 3.7819 4.0585 4.0585 4.4650 4.4650 4.5832 4.5832 4.8399 4.8399 5.4642 5.4642 6.1722 6.1722 6.2940 6.2940 6.4282 6.4282 6.4835 6.4835 6.5328 6.5328 7.2533 7.2533 7.3019 7.3019 7.3484 7.3484 8.2402 8.2402 8.8534 8.8534 k = 0.0000 0.2353-0.0000 ( 14215 PWs) bands (ev): -71.7999 -71.7999 -71.7967 -71.7967 -41.5830 -41.5830 -41.5740 -41.5740 -40.4410 -40.4410 -40.4260 -40.4260 -40.2985 -40.2985 -40.2969 -40.2969 -24.4716 -24.4716 -24.4601 -24.4601 -8.2070 -8.2070 -8.1601 -8.1601 -7.9583 -7.9583 -7.9339 -7.9339 -7.8940 -7.8940 -7.8631 -7.8631 -2.8508 -2.8508 -2.2175 -2.2175 3.2056 3.2056 3.7268 3.7268 4.0160 4.0160 4.4620 4.4620 4.5878 4.5878 4.8285 4.8285 5.4856 5.4856 6.1622 6.1622 6.2884 6.2884 6.4148 6.4148 6.4655 6.4655 6.5101 6.5101 7.2177 7.2177 7.3159 7.3159 7.3397 7.3397 8.2153 8.2153 8.9099 8.9099 k = 0.0000 0.2500-0.0000 ( 14211 PWs) bands (ev): -71.7989 -71.7989 -71.7974 -71.7974 -41.5829 -41.5829 -41.5742 -41.5742 -40.4407 -40.4407 -40.4263 -40.4263 -40.2985 -40.2985 -40.2969 -40.2969 -24.4713 -24.4713 -24.4602 -24.4602 -8.2074 -8.2074 -8.1626 -8.1626 -7.9593 -7.9593 -7.9341 -7.9341 -7.8946 -7.8946 -7.8631 -7.8631 -2.8240 -2.8240 -2.2143 -2.2143 3.2281 3.2281 3.6696 3.6696 3.9774 3.9774 4.4602 4.4602 4.5921 4.5921 4.8170 4.8170 5.5065 5.5065 6.1510 6.1510 6.2815 6.2815 6.4043 6.4043 6.4529 6.4529 6.4869 6.4869 7.1811 7.1811 7.3070 7.3070 7.3541 7.3541 8.1883 8.1883 8.9694 8.9694 k = 0.0000 0.2647-0.0000 ( 14211 PWs) bands (ev): -71.7986 -71.7986 -71.7978 -71.7978 -41.5827 -41.5827 -41.5744 -41.5744 -40.4403 -40.4403 -40.4267 -40.4267 -40.2985 -40.2985 -40.2970 -40.2970 -24.4709 -24.4709 -24.4604 -24.4604 -8.2078 -8.2078 -8.1653 -8.1653 -7.9603 -7.9603 -7.9346 -7.9346 -7.8950 -7.8950 -7.8632 -7.8632 -2.7964 -2.7964 -2.2117 -2.2117 3.2471 3.2471 3.6117 3.6117 3.9451 3.9451 4.4608 4.4608 4.5979 4.5979 4.8056 4.8056 5.5284 5.5284 6.1364 6.1364 6.2738 6.2738 6.3921 6.3921 6.4346 6.4346 6.4622 6.4622 7.1484 7.1484 7.2883 7.2883 7.3759 7.3759 8.1613 8.1613 9.0318 9.0318 k = 0.0000 0.2794-0.0000 ( 14203 PWs) bands (ev): -71.7982 -71.7982 -71.7976 -71.7976 -41.5825 -41.5825 -41.5746 -41.5746 -40.4400 -40.4400 -40.4270 -40.4270 -40.2985 -40.2985 -40.2970 -40.2970 -24.4706 -24.4706 -24.4606 -24.4606 -8.2082 -8.2082 -8.1680 -8.1680 -7.9611 -7.9611 -7.9354 -7.9354 -7.8951 -7.8951 -7.8634 -7.8634 -2.7680 -2.7680 -2.2099 -2.2099 3.2613 3.2613 3.5543 3.5543 3.9201 3.9201 4.4627 4.4627 4.6044 4.6044 4.7940 4.7940 5.5510 5.5510 6.1221 6.1221 6.2635 6.2635 6.3828 6.3828 6.4201 6.4201 6.4375 6.4375 7.1185 7.1185 7.2665 7.2665 7.3990 7.3990 8.1344 8.1344 9.0963 9.0963 k = 0.0000 0.2941-0.0000 ( 14205 PWs) bands (ev): -71.7986 -71.7986 -71.7974 -71.7974 -41.5822 -41.5822 -41.5748 -41.5748 -40.4396 -40.4396 -40.4274 -40.4274 -40.2984 -40.2984 -40.2970 -40.2970 -24.4702 -24.4702 -24.4608 -24.4608 -8.2086 -8.2086 -8.1707 -8.1707 -7.9618 -7.9618 -7.9363 -7.9363 -7.8949 -7.8949 -7.8637 -7.8637 -2.7389 -2.7389 -2.2091 -2.2091 3.2694 3.2694 3.4981 3.4981 3.9037 3.9037 4.4651 4.4651 4.6110 4.6110 4.7823 4.7823 5.5736 5.5736 6.1076 6.1076 6.2518 6.2518 6.3732 6.3732 6.3993 6.3993 6.4131 6.4131 7.0897 7.0897 7.2421 7.2421 7.4213 7.4213 8.1067 8.1067 9.1627 9.1627 k = 0.0000 0.3088-0.0000 ( 14191 PWs) bands (ev): -71.7980 -71.7980 -71.7970 -71.7970 -41.5820 -41.5820 -41.5751 -41.5751 -40.4392 -40.4392 -40.4278 -40.4278 -40.2984 -40.2984 -40.2971 -40.2971 -24.4698 -24.4698 -24.4610 -24.4610 -8.2089 -8.2089 -8.1734 -8.1734 -7.9623 -7.9623 -7.9374 -7.9374 -7.8945 -7.8945 -7.8642 -7.8642 -2.7093 -2.7093 -2.2093 -2.2093 3.2703 3.2703 3.4439 3.4439 3.8974 3.8974 4.4672 4.4672 4.6173 4.6173 4.7715 4.7715 5.5992 5.5992 6.0950 6.0950 6.2399 6.2399 6.3637 6.3637 6.3770 6.3770 6.3967 6.3967 7.0651 7.0651 7.2166 7.2166 7.4466 7.4466 8.0794 8.0794 9.2303 9.2303 k = 0.0000 0.3235-0.0000 ( 14191 PWs) bands (ev): -71.7979 -71.7979 -71.7971 -71.7971 -41.5818 -41.5818 -41.5753 -41.5753 -40.4388 -40.4388 -40.4282 -40.4282 -40.2983 -40.2983 -40.2971 -40.2971 -24.4694 -24.4694 -24.4612 -24.4612 -8.2092 -8.2092 -8.1762 -8.1762 -7.9627 -7.9627 -7.9387 -7.9387 -7.8938 -7.8938 -7.8646 -7.8646 -2.6794 -2.6794 -2.2107 -2.2107 3.2638 3.2638 3.3924 3.3924 3.9010 3.9010 4.4690 4.4690 4.6231 4.6231 4.7605 4.7605 5.6237 5.6237 6.0818 6.0818 6.2257 6.2257 6.3489 6.3489 6.3539 6.3539 6.3815 6.3815 7.0415 7.0415 7.1897 7.1897 7.4688 7.4688 8.0527 8.0527 9.2966 9.2966 k = 0.0000 0.3382-0.0000 ( 14199 PWs) bands (ev): -71.7982 -71.7982 -71.7973 -71.7973 -41.5815 -41.5815 -41.5755 -41.5755 -40.4384 -40.4384 -40.4286 -40.4286 -40.2983 -40.2983 -40.2972 -40.2972 -24.4690 -24.4690 -24.4614 -24.4614 -8.2094 -8.2094 -8.1789 -8.1789 -7.9630 -7.9630 -7.9402 -7.9402 -7.8929 -7.8929 -7.8652 -7.8652 -2.6493 -2.6493 -2.2134 -2.2134 3.2505 3.2505 3.3442 3.3442 3.9144 3.9144 4.4704 4.4704 4.6284 4.6284 4.7495 4.7495 5.6479 5.6479 6.0675 6.0675 6.2107 6.2107 6.3198 6.3198 6.3401 6.3401 6.3650 6.3650 7.0215 7.0215 7.1627 7.1627 7.4905 7.4905 8.0254 8.0254 9.3537 9.3537 k = 0.0000 0.3529-0.0000 ( 14201 PWs) bands (ev): -71.7984 -71.7984 -71.7973 -71.7973 -41.5813 -41.5813 -41.5758 -41.5758 -40.4380 -40.4380 -40.4290 -40.4290 -40.2983 -40.2983 -40.2972 -40.2972 -24.4687 -24.4687 -24.4617 -24.4617 -8.2095 -8.2095 -8.1816 -8.1816 -7.9631 -7.9631 -7.9417 -7.9417 -7.8918 -7.8918 -7.8659 -7.8659 -2.6192 -2.6192 -2.2175 -2.2175 3.2317 3.2317 3.3001 3.3001 3.9363 3.9363 4.4706 4.4706 4.6324 4.6324 4.7386 4.7386 5.6734 5.6734 6.0546 6.0546 6.1954 6.1954 6.2900 6.2900 6.3296 6.3296 6.3515 6.3515 7.0054 7.0054 7.1355 7.1355 7.5120 7.5120 7.9976 7.9976 9.3978 9.3978 k = 0.0000 0.3676-0.0000 ( 14185 PWs) bands (ev): -71.7978 -71.7978 -71.7968 -71.7968 -41.5810 -41.5810 -41.5761 -41.5761 -40.4376 -40.4376 -40.4294 -40.4294 -40.2982 -40.2982 -40.2973 -40.2973 -24.4683 -24.4683 -24.4619 -24.4619 -8.2095 -8.2095 -8.1842 -8.1842 -7.9631 -7.9631 -7.9433 -7.9433 -7.8906 -7.8906 -7.8667 -7.8667 -2.5891 -2.5891 -2.2231 -2.2231 3.2090 3.2090 3.2603 3.2603 3.9653 3.9653 4.4697 4.4697 4.6358 4.6358 4.7286 4.7286 5.7018 5.7018 6.0468 6.0468 6.1801 6.1801 6.2619 6.2619 6.3212 6.3212 6.3402 6.3402 6.9921 6.9921 7.1103 7.1103 7.5353 7.5353 7.9712 7.9712 9.4399 9.4399 k = 0.0000 0.3824-0.0000 ( 14193 PWs) bands (ev): -71.7980 -71.7980 -71.7972 -71.7972 -41.5808 -41.5808 -41.5763 -41.5763 -40.4372 -40.4372 -40.4299 -40.4299 -40.2982 -40.2982 -40.2973 -40.2973 -24.4679 -24.4679 -24.4622 -24.4622 -8.2094 -8.2094 -8.1868 -8.1868 -7.9630 -7.9630 -7.9450 -7.9450 -7.8893 -7.8893 -7.8676 -7.8676 -2.5593 -2.5593 -2.2303 -2.2303 3.1840 3.1840 3.2247 3.2247 3.9992 3.9992 4.4666 4.4666 4.6380 4.6380 4.7182 4.7182 5.7295 5.7295 6.0365 6.0365 6.1623 6.1623 6.2317 6.2317 6.3093 6.3093 6.3260 6.3260 6.9793 6.9793 7.0850 7.0850 7.5567 7.5567 7.9455 7.9455 9.4835 9.4835 k = 0.0000 0.3971-0.0000 ( 14179 PWs) bands (ev): -71.7975 -71.7975 -71.7967 -71.7967 -41.5805 -41.5805 -41.5766 -41.5766 -40.4367 -40.4367 -40.4303 -40.4303 -40.2981 -40.2981 -40.2974 -40.2974 -24.4675 -24.4675 -24.4625 -24.4625 -8.2091 -8.2091 -8.1893 -8.1893 -7.9627 -7.9627 -7.9466 -7.9466 -7.8879 -7.8879 -7.8685 -7.8685 -2.5300 -2.5300 -2.2392 -2.2392 3.1589 3.1589 3.1933 3.1933 4.0370 4.0370 4.4614 4.4614 4.6395 4.6395 4.7093 4.7093 5.7589 5.7589 6.0288 6.0288 6.1455 6.1455 6.2058 6.2058 6.3022 6.3022 6.3164 6.3164 6.9702 6.9702 7.0620 7.0620 7.5818 7.5818 7.9200 7.9200 9.5306 9.5306 k = 0.0000 0.4118-0.0000 ( 14169 PWs) bands (ev): -71.7968 -71.7968 -71.7967 -71.7967 -41.5802 -41.5802 -41.5768 -41.5768 -40.4363 -40.4363 -40.4307 -40.4307 -40.2981 -40.2981 -40.2974 -40.2974 -24.4671 -24.4671 -24.4628 -24.4628 -8.2087 -8.2087 -8.1916 -8.1916 -7.9623 -7.9623 -7.9483 -7.9483 -7.8864 -7.8864 -7.8696 -7.8696 -2.5012 -2.5012 -2.2497 -2.2497 3.1353 3.1353 3.1655 3.1655 4.0772 4.0772 4.4531 4.4531 4.6404 4.6404 4.7001 4.7001 5.7883 5.7883 6.0250 6.0250 6.1272 6.1272 6.1793 6.1793 6.2960 6.2960 6.3085 6.3085 6.9615 6.9615 7.0419 7.0419 7.6053 7.6053 7.8944 7.8944 9.5810 9.5810 k = 0.0000 0.4265-0.0000 ( 14175 PWs) bands (ev): -71.7970 -71.7970 -71.7969 -71.7969 -41.5799 -41.5799 -41.5771 -41.5771 -40.4358 -40.4358 -40.4312 -40.4312 -40.2980 -40.2980 -40.2975 -40.2975 -24.4667 -24.4667 -24.4631 -24.4631 -8.2082 -8.2082 -8.1939 -8.1939 -7.9617 -7.9617 -7.9499 -7.9499 -7.8849 -7.8849 -7.8707 -7.8707 -2.4731 -2.4731 -2.2620 -2.2620 3.1146 3.1146 3.1412 3.1412 4.1192 4.1192 4.4409 4.4409 4.6403 4.6403 4.6905 4.6905 5.8139 5.8139 6.0210 6.0210 6.1086 6.1086 6.1534 6.1534 6.2886 6.2886 6.2981 6.2981 6.9580 6.9580 7.0218 7.0218 7.6268 7.6268 7.8672 7.8672 9.6341 9.6341 k = 0.0000 0.4412-0.0000 ( 14181 PWs) bands (ev): -71.7975 -71.7975 -71.7969 -71.7969 -41.5797 -41.5797 -41.5774 -41.5774 -40.4354 -40.4354 -40.4317 -40.4317 -40.2979 -40.2979 -40.2975 -40.2975 -24.4663 -24.4663 -24.4634 -24.4634 -8.2075 -8.2075 -8.1960 -8.1960 -7.9610 -7.9610 -7.9514 -7.9514 -7.8834 -7.8834 -7.8719 -7.8719 -2.4460 -2.4460 -2.2760 -2.2760 3.0976 3.0976 3.1202 3.1202 4.1611 4.1611 4.4248 4.4248 4.6412 4.6412 4.6820 4.6820 5.8423 5.8423 6.0152 6.0152 6.0886 6.0886 6.1300 6.1300 6.2826 6.2826 6.2900 6.2900 6.9535 6.9535 7.0041 7.0041 7.6504 7.6504 7.8420 7.8420 9.6886 9.6886 k = 0.0000 0.4559-0.0000 ( 14176 PWs) bands (ev): -71.7974 -71.7974 -71.7967 -71.7967 -41.5794 -41.5794 -41.5777 -41.5777 -40.4349 -40.4349 -40.4321 -40.4321 -40.2979 -40.2979 -40.2976 -40.2976 -24.4659 -24.4659 -24.4637 -24.4637 -8.2066 -8.2066 -8.1980 -8.1980 -7.9602 -7.9602 -7.9529 -7.9529 -7.8819 -7.8819 -7.8732 -7.8732 -2.4199 -2.4199 -2.2917 -2.2917 3.0850 3.0850 3.1027 3.1027 4.2029 4.2029 4.4044 4.4044 4.6434 4.6434 4.6742 4.6742 5.8720 5.8720 6.0106 6.0106 6.0720 6.0720 6.1098 6.1098 6.2787 6.2787 6.2842 6.2842 6.9516 6.9516 6.9896 6.9896 7.6746 7.6746 7.8181 7.8181 9.7454 9.7454 k = 0.0000 0.4706-0.0000 ( 14190 PWs) bands (ev): -71.7979 -71.7979 -71.7971 -71.7971 -41.5791 -41.5791 -41.5780 -41.5780 -40.4345 -40.4345 -40.4326 -40.4326 -40.2978 -40.2978 -40.2977 -40.2977 -24.4655 -24.4655 -24.4641 -24.4641 -8.2056 -8.2056 -8.1999 -8.1999 -7.9592 -7.9592 -7.9544 -7.9544 -7.8803 -7.8803 -7.8745 -7.8745 -2.3949 -2.3949 -2.3092 -2.3092 3.0768 3.0768 3.0890 3.0890 4.2433 4.2433 4.3796 4.3796 4.6455 4.6455 4.6662 4.6662 5.8983 5.8983 5.9979 5.9979 6.0601 6.0601 6.0915 6.0915 6.2744 6.2744 6.2779 6.2779 6.9520 6.9520 6.9765 6.9765 7.6968 7.6968 7.7927 7.7927 9.8032 9.8032 k = 0.0000 0.4853-0.0000 ( 14188 PWs) bands (ev): -71.7980 -71.7980 -71.7969 -71.7969 -41.5788 -41.5788 -41.5783 -41.5783 -40.4340 -40.4340 -40.4331 -40.4331 -40.2978 -40.2978 -40.2977 -40.2977 -24.4651 -24.4651 -24.4644 -24.4644 -8.2044 -8.2044 -8.2015 -8.2015 -7.9582 -7.9582 -7.9557 -7.9557 -7.8788 -7.8788 -7.8759 -7.8759 -2.3713 -2.3713 -2.3283 -2.3283 3.0731 3.0731 3.0794 3.0794 4.2820 4.2820 4.3508 4.3508 4.6491 4.6491 4.6597 4.6597 5.9256 5.9256 5.9793 5.9793 6.0597 6.0597 6.0777 6.0777 6.2728 6.2728 6.2747 6.2747 6.9555 6.9555 6.9673 6.9673 7.7206 7.7206 7.7680 7.7680 9.8621 9.8621 k = 0.0000 0.5000-0.0000 ( 14192 PWs) bands (ev): -71.7976 -71.7976 -71.7976 -71.7976 -41.5786 -41.5786 -41.5786 -41.5786 -40.4335 -40.4335 -40.4335 -40.4335 -40.2978 -40.2978 -40.2978 -40.2978 -24.4648 -24.4648 -24.4648 -24.4648 -8.2031 -8.2031 -8.2031 -8.2031 -7.9570 -7.9570 -7.9570 -7.9570 -7.8773 -7.8773 -7.8773 -7.8773 -2.3491 -2.3491 -2.3491 -2.3491 3.0740 3.0740 3.0740 3.0740 4.3179 4.3179 4.3179 4.3179 4.6539 4.6539 4.6539 4.6539 5.9537 5.9537 5.9537 5.9537 6.0654 6.0654 6.0654 6.0654 6.2732 6.2732 6.2732 6.2732 6.9594 6.9594 6.9594 6.9594 7.7442 7.7442 7.7442 7.7442 9.9207 9.9207 k = 0.0000 0.5000-0.0000 ( 14192 PWs) bands (ev): -71.7976 -71.7976 -71.7976 -71.7976 -41.5786 -41.5786 -41.5786 -41.5786 -40.4335 -40.4335 -40.4335 -40.4335 -40.2978 -40.2978 -40.2978 -40.2978 -24.4648 -24.4648 -24.4648 -24.4648 -8.2031 -8.2031 -8.2031 -8.2031 -7.9570 -7.9570 -7.9570 -7.9570 -7.8773 -7.8773 -7.8773 -7.8773 -2.3491 -2.3491 -2.3491 -2.3491 3.0740 3.0740 3.0740 3.0740 4.3179 4.3179 4.3179 4.3179 4.6539 4.6539 4.6539 4.6539 5.9537 5.9537 5.9537 5.9537 6.0654 6.0654 6.0654 6.0654 6.2732 6.2732 6.2732 6.2732 6.9594 6.9594 6.9594 6.9594 7.7442 7.7442 7.7442 7.7442 9.9207 9.9207 k = 0.0147 0.5000-0.0000 ( 14196 PWs) bands (ev): -71.7977 -71.7977 -71.7977 -71.7977 -41.5786 -41.5786 -41.5786 -41.5786 -40.4335 -40.4335 -40.4335 -40.4335 -40.2978 -40.2978 -40.2978 -40.2978 -24.4648 -24.4648 -24.4648 -24.4648 -8.2032 -8.2032 -8.2029 -8.2029 -7.9583 -7.9583 -7.9558 -7.9558 -7.8785 -7.8785 -7.8763 -7.8763 -2.3487 -2.3487 -2.3487 -2.3487 3.0721 3.0721 3.0759 3.0759 4.3159 4.3159 4.3208 4.3208 4.6526 4.6526 4.6530 4.6530 5.9457 5.9457 5.9550 5.9550 6.0614 6.0614 6.0744 6.0744 6.2711 6.2711 6.2733 6.2733 6.9585 6.9585 6.9593 6.9593 7.7400 7.7400 7.7402 7.7402 9.9122 9.9133 k = 0.0294 0.5000-0.0000 ( 14196 PWs) bands (ev): -71.7977 -71.7977 -71.7977 -71.7977 -41.5786 -41.5786 -41.5785 -41.5785 -40.4335 -40.4335 -40.4335 -40.4335 -40.2978 -40.2978 -40.2978 -40.2978 -24.4648 -24.4648 -24.4648 -24.4648 -8.2033 -8.2033 -8.2028 -8.2028 -7.9595 -7.9595 -7.9545 -7.9545 -7.8797 -7.8797 -7.8753 -7.8753 -2.3476 -2.3476 -2.3475 -2.3475 3.0702 3.0702 3.0778 3.0778 4.3147 4.3147 4.3249 4.3249 4.6503 4.6503 4.6509 4.6509 5.9345 5.9345 5.9510 5.9510 6.0633 6.0633 6.0871 6.0871 6.2682 6.2682 6.2726 6.2726 6.9561 6.9561 6.9578 6.9578 7.7300 7.7300 7.7303 7.7303 9.8891 9.8892 k = 0.0441 0.5000-0.0000 ( 14200 PWs) bands (ev): -71.7979 -71.7979 -71.7979 -71.7979 -41.5786 -41.5786 -41.5786 -41.5786 -40.4336 -40.4336 -40.4336 -40.4336 -40.2978 -40.2978 -40.2978 -40.2978 -24.4647 -24.4647 -24.4647 -24.4647 -8.2035 -8.2035 -8.2026 -8.2026 -7.9608 -7.9608 -7.9534 -7.9534 -7.8811 -7.8811 -7.8745 -7.8745 -2.3458 -2.3458 -2.3456 -2.3456 3.0682 3.0682 3.0795 3.0795 4.3142 4.3142 4.3298 4.3298 4.6466 4.6466 4.6472 4.6472 5.9204 5.9204 5.9412 5.9412 6.0688 6.0688 6.1006 6.1006 6.2653 6.2653 6.2718 6.2718 6.9519 6.9519 6.9544 6.9544 7.7138 7.7138 7.7143 7.7143 9.8522 9.8522 k = 0.0588 0.5000-0.0000 ( 14184 PWs) bands (ev): -71.7973 -71.7973 -71.7973 -71.7973 -41.5786 -41.5786 -41.5785 -41.5785 -40.4335 -40.4335 -40.4335 -40.4335 -40.2978 -40.2978 -40.2977 -40.2977 -24.4647 -24.4647 -24.4647 -24.4647 -8.2036 -8.2036 -8.2024 -8.2024 -7.9621 -7.9621 -7.9523 -7.9523 -7.8825 -7.8825 -7.8737 -7.8737 -2.3432 -2.3432 -2.3429 -2.3429 3.0662 3.0662 3.0812 3.0812 4.3149 4.3149 4.3361 4.3361 4.6426 4.6426 4.6430 4.6430 5.9075 5.9075 5.9301 5.9301 6.0783 6.0783 6.1160 6.1160 6.2634 6.2634 6.2725 6.2725 6.9473 6.9473 6.9507 6.9507 7.6950 7.6950 7.6953 7.6953 9.8034 9.8034 k = 0.0735 0.5000-0.0000 ( 14194 PWs) bands (ev): -71.7977 -71.7977 -71.7977 -71.7977 -41.5786 -41.5786 -41.5785 -41.5785 -40.4336 -40.4336 -40.4336 -40.4336 -40.2978 -40.2978 -40.2977 -40.2977 -24.4647 -24.4647 -24.4647 -24.4647 -8.2037 -8.2037 -8.2022 -8.2022 -7.9634 -7.9634 -7.9512 -7.9512 -7.8839 -7.8839 -7.8731 -7.8731 -2.3398 -2.3398 -2.3395 -2.3395 3.0639 3.0639 3.0826 3.0826 4.3155 4.3155 4.3434 4.3434 4.6358 4.6358 4.6369 4.6369 5.8893 5.8893 5.9127 5.9127 6.0878 6.0878 6.1301 6.1301 6.2591 6.2591 6.2707 6.2707 6.9412 6.9412 6.9454 6.9454 7.6685 7.6685 7.6688 7.6688 9.7444 9.7444 k = 0.0882 0.5000-0.0000 ( 14190 PWs) bands (ev): -71.7975 -71.7975 -71.7975 -71.7975 -41.5786 -41.5786 -41.5785 -41.5785 -40.4336 -40.4336 -40.4336 -40.4336 -40.2977 -40.2977 -40.2977 -40.2977 -24.4646 -24.4646 -24.4646 -24.4646 -8.2038 -8.2038 -8.2021 -8.2021 -7.9647 -7.9647 -7.9502 -7.9502 -7.8854 -7.8854 -7.8726 -7.8726 -2.3358 -2.3358 -2.3354 -2.3354 3.0613 3.0613 3.0837 3.0837 4.3168 4.3168 4.3521 4.3521 4.6281 4.6281 4.6314 4.6314 5.8728 5.8728 5.8966 5.8966 6.0969 6.0969 6.1429 6.1429 6.2570 6.2570 6.2707 6.2707 6.9344 6.9344 6.9393 6.9393 7.6408 7.6408 7.6410 7.6410 9.6782 9.6782 k = 0.1029 0.5000-0.0000 ( 14180 PWs) bands (ev): -71.7972 -71.7972 -71.7972 -71.7972 -41.5786 -41.5786 -41.5785 -41.5785 -40.4336 -40.4336 -40.4336 -40.4336 -40.2977 -40.2977 -40.2977 -40.2977 -24.4646 -24.4646 -24.4646 -24.4646 -8.2039 -8.2039 -8.2019 -8.2019 -7.9659 -7.9659 -7.9493 -7.9493 -7.8870 -7.8870 -7.8722 -7.8722 -2.3311 -2.3311 -2.3306 -2.3306 3.0583 3.0583 3.0843 3.0843 4.3182 4.3182 4.3615 4.3615 4.6203 4.6203 4.6266 4.6266 5.8577 5.8577 5.8817 5.8817 6.1046 6.1046 6.1532 6.1532 6.2556 6.2556 6.2708 6.2708 6.9264 6.9264 6.9320 6.9320 7.6130 7.6130 7.6133 7.6133 9.6071 9.6071 k = 0.1176 0.5000-0.0000 ( 14176 PWs) bands (ev): -71.7971 -71.7971 -71.7971 -71.7971 -41.5786 -41.5786 -41.5785 -41.5785 -40.4336 -40.4336 -40.4336 -40.4336 -40.2977 -40.2977 -40.2977 -40.2977 -24.4645 -24.4645 -24.4645 -24.4645 -8.2039 -8.2039 -8.2018 -8.2018 -7.9671 -7.9671 -7.9484 -7.9484 -7.8885 -7.8885 -7.8719 -7.8719 -2.3258 -2.3258 -2.3252 -2.3252 3.0550 3.0550 3.0844 3.0844 4.3198 4.3198 4.3717 4.3717 4.6112 4.6112 4.6213 4.6213 5.8431 5.8431 5.8663 5.8663 6.1089 6.1089 6.1575 6.1575 6.2563 6.2563 6.2711 6.2711 6.9170 6.9170 6.9233 6.9233 7.5842 7.5842 7.5849 7.5849 9.5334 9.5334 k = 0.1324 0.5000-0.0000 ( 14176 PWs) bands (ev): -71.7971 -71.7971 -71.7971 -71.7971 -41.5786 -41.5786 -41.5786 -41.5786 -40.4336 -40.4336 -40.4336 -40.4336 -40.2977 -40.2977 -40.2977 -40.2977 -24.4644 -24.4644 -24.4644 -24.4644 -8.2040 -8.2040 -8.2016 -8.2016 -7.9683 -7.9683 -7.9477 -7.9477 -7.8900 -7.8900 -7.8718 -7.8718 -2.3198 -2.3198 -2.3192 -2.3192 3.0509 3.0509 3.0837 3.0837 4.3207 4.3207 4.3822 4.3822 4.6023 4.6023 4.6173 4.6173 5.8271 5.8271 5.8498 5.8498 6.1092 6.1092 6.1558 6.1558 6.2625 6.2625 6.2749 6.2749 6.9055 6.9055 6.9123 6.9123 7.5555 7.5555 7.5568 7.5568 9.4576 9.4576 k = 0.1471 0.5000-0.0000 ( 14176 PWs) bands (ev): -71.7971 -71.7971 -71.7971 -71.7971 -41.5786 -41.5786 -41.5786 -41.5786 -40.4336 -40.4336 -40.4336 -40.4336 -40.2977 -40.2977 -40.2977 -40.2977 -24.4644 -24.4644 -24.4644 -24.4644 -8.2041 -8.2041 -8.2015 -8.2015 -7.9694 -7.9694 -7.9470 -7.9470 -7.8916 -7.8916 -7.8717 -7.8717 -2.3133 -2.3133 -2.3126 -2.3126 3.0462 3.0462 3.0821 3.0821 4.3213 4.3213 4.3935 4.3935 4.5932 4.5932 4.6145 4.6145 5.8128 5.8128 5.8348 5.8348 6.1066 6.1066 6.1493 6.1493 6.2701 6.2701 6.2786 6.2786 6.8934 6.8934 6.9008 6.9008 7.5273 7.5273 7.5291 7.5291 9.3824 9.3824 k = 0.1618 0.5000-0.0000 ( 14172 PWs) bands (ev): -71.7970 -71.7970 -71.7970 -71.7970 -41.5786 -41.5786 -41.5786 -41.5786 -40.4336 -40.4336 -40.4336 -40.4336 -40.2977 -40.2977 -40.2976 -40.2976 -24.4643 -24.4643 -24.4643 -24.4643 -8.2042 -8.2042 -8.2015 -8.2015 -7.9704 -7.9704 -7.9464 -7.9464 -7.8931 -7.8931 -7.8718 -7.8718 -2.3063 -2.3063 -2.3056 -2.3056 3.0407 3.0407 3.0795 3.0795 4.3215 4.3215 4.4050 4.4050 4.5852 4.5852 4.6137 4.6137 5.7990 5.7990 5.8202 5.8202 6.1001 6.1001 6.1381 6.1381 6.2812 6.2812 6.2849 6.2849 6.8804 6.8804 6.8881 6.8881 7.5017 7.5017 7.5043 7.5043 9.3085 9.3085 k = 0.1765 0.5000-0.0000 ( 14182 PWs) bands (ev): -71.7973 -71.7973 -71.7973 -71.7973 -41.5786 -41.5786 -41.5786 -41.5786 -40.4336 -40.4336 -40.4336 -40.4336 -40.2977 -40.2977 -40.2976 -40.2976 -24.4642 -24.4642 -24.4642 -24.4642 -8.2043 -8.2043 -8.2014 -8.2014 -7.9713 -7.9713 -7.9460 -7.9460 -7.8945 -7.8945 -7.8719 -7.8719 -2.2988 -2.2988 -2.2980 -2.2980 3.0341 3.0341 3.0755 3.0755 4.3208 4.3208 4.4158 4.4158 4.5784 4.5784 4.6146 4.6146 5.7847 5.7847 5.8052 5.8052 6.0898 6.0898 6.1232 6.1232 6.2910 6.2910 6.2918 6.2918 6.8652 6.8652 6.8732 6.8732 7.4762 7.4762 7.4794 7.4794 9.2361 9.2361 k = 0.1912 0.5000-0.0000 ( 14170 PWs) bands (ev): -71.7969 -71.7969 -71.7969 -71.7969 -41.5786 -41.5786 -41.5786 -41.5786 -40.4337 -40.4337 -40.4336 -40.4336 -40.2977 -40.2977 -40.2976 -40.2976 -24.4641 -24.4641 -24.4641 -24.4641 -8.2045 -8.2045 -8.2015 -8.2015 -7.9722 -7.9722 -7.9456 -7.9456 -7.8958 -7.8958 -7.8722 -7.8722 -2.2909 -2.2909 -2.2901 -2.2901 3.0266 3.0266 3.0703 3.0703 4.3202 4.3202 4.4263 4.4263 4.5742 4.5742 4.6183 4.6183 5.7729 5.7729 5.7926 5.7926 6.0790 6.0790 6.1078 6.1078 6.3001 6.3001 6.3053 6.3053 6.8513 6.8513 6.8595 6.8595 7.4543 7.4543 7.4582 7.4582 9.1671 9.1671 k = 0.2059 0.5000-0.0000 ( 14164 PWs) bands (ev): -71.7967 -71.7967 -71.7967 -71.7967 -41.5786 -41.5786 -41.5786 -41.5786 -40.4337 -40.4337 -40.4337 -40.4337 -40.2976 -40.2976 -40.2976 -40.2976 -24.4641 -24.4641 -24.4641 -24.4641 -8.2046 -8.2046 -8.2015 -8.2015 -7.9729 -7.9729 -7.9453 -7.9453 -7.8971 -7.8971 -7.8725 -7.8725 -2.2826 -2.2826 -2.2818 -2.2818 3.0179 3.0179 3.0635 3.0635 4.3190 4.3190 4.4352 4.4352 4.5724 4.5724 4.6240 4.6240 5.7617 5.7617 5.7808 5.7808 6.0662 6.0662 6.0913 6.0913 6.3088 6.3088 6.3177 6.3177 6.8362 6.8362 6.8446 6.8446 7.4329 7.4329 7.4375 7.4375 9.1019 9.1019 k = 0.2206 0.5000-0.0000 ( 14176 PWs) bands (ev): -71.7972 -71.7972 -71.7972 -71.7972 -41.5786 -41.5786 -41.5786 -41.5786 -40.4337 -40.4337 -40.4337 -40.4337 -40.2976 -40.2976 -40.2976 -40.2976 -24.4640 -24.4640 -24.4640 -24.4640 -8.2048 -8.2048 -8.2016 -8.2016 -7.9736 -7.9736 -7.9452 -7.9452 -7.8982 -7.8982 -7.8730 -7.8730 -2.2741 -2.2741 -2.2732 -2.2732 3.0081 3.0081 3.0551 3.0551 4.3177 4.3177 4.4415 4.4415 4.5740 4.5740 4.6312 4.6312 5.7500 5.7500 5.7683 5.7683 6.0501 6.0501 6.0715 6.0715 6.3156 6.3156 6.3280 6.3280 6.8191 6.8191 6.8276 6.8276 7.4112 7.4112 7.4164 7.4164 9.0401 9.0401 k = 0.2353 0.5000-0.0000 ( 14170 PWs) bands (ev): -71.7970 -71.7970 -71.7970 -71.7970 -41.5786 -41.5786 -41.5786 -41.5786 -40.4337 -40.4337 -40.4337 -40.4337 -40.2976 -40.2976 -40.2976 -40.2976 -24.4639 -24.4639 -24.4639 -24.4639 -8.2049 -8.2049 -8.2017 -8.2017 -7.9741 -7.9741 -7.9453 -7.9453 -7.8992 -7.8992 -7.8735 -7.8735 -2.2653 -2.2653 -2.2645 -2.2645 2.9974 2.9974 3.0453 3.0453 4.3174 4.3174 4.4463 4.4463 4.5802 4.5802 4.6410 4.6410 5.7405 5.7405 5.7579 5.7579 6.0330 6.0330 6.0509 6.0509 6.3245 6.3245 6.3399 6.3399 6.8024 6.8024 6.8110 6.8110 7.3941 7.3941 7.3999 7.3999 8.9834 8.9834 k = 0.2500 0.5000-0.0000 ( 14158 PWs) bands (ev): -71.7966 -71.7966 -71.7966 -71.7966 -41.5786 -41.5786 -41.5786 -41.5786 -40.4337 -40.4337 -40.4337 -40.4337 -40.2976 -40.2976 -40.2976 -40.2976 -24.4638 -24.4638 -24.4638 -24.4638 -8.2051 -8.2051 -8.2019 -8.2019 -7.9744 -7.9744 -7.9454 -7.9454 -7.9001 -7.9001 -7.8742 -7.8742 -2.2564 -2.2564 -2.2555 -2.2555 2.9856 2.9856 3.0339 3.0339 4.3178 4.3178 4.4494 4.4494 4.5900 4.5900 4.6526 4.6526 5.7326 5.7326 5.7489 5.7489 6.0156 6.0156 6.0301 6.0301 6.3338 6.3338 6.3522 6.3522 6.7861 6.7861 6.7949 6.7949 7.3779 7.3779 7.3843 7.3843 8.9316 8.9316 k = 0.2647 0.5000-0.0000 ( 14166 PWs) bands (ev): -71.7968 -71.7968 -71.7968 -71.7968 -41.5787 -41.5787 -41.5786 -41.5786 -40.4337 -40.4337 -40.4337 -40.4337 -40.2976 -40.2976 -40.2976 -40.2976 -24.4637 -24.4637 -24.4637 -24.4637 -8.2053 -8.2053 -8.2022 -8.2022 -7.9747 -7.9747 -7.9457 -7.9457 -7.9007 -7.9007 -7.8749 -7.8749 -2.2475 -2.2475 -2.2465 -2.2465 2.9728 2.9728 3.0210 3.0210 4.3190 4.3190 4.4506 4.4506 4.6024 4.6024 4.6651 4.6651 5.7237 5.7237 5.7391 5.7391 5.9960 5.9960 6.0076 6.0076 6.3408 6.3408 6.3618 6.3618 6.7671 6.7671 6.7760 6.7760 7.3612 7.3612 7.3681 7.3681 8.8848 8.8848 k = 0.2794 0.5000-0.0000 ( 14178 PWs) bands (ev): -71.7973 -71.7973 -71.7973 -71.7973 -41.5787 -41.5787 -41.5786 -41.5786 -40.4338 -40.4338 -40.4337 -40.4337 -40.2976 -40.2976 -40.2976 -40.2976 -24.4636 -24.4636 -24.4636 -24.4636 -8.2056 -8.2056 -8.2024 -8.2024 -7.9748 -7.9748 -7.9461 -7.9461 -7.9013 -7.9013 -7.8757 -7.8757 -2.2385 -2.2385 -2.2376 -2.2376 2.9590 2.9590 3.0065 3.0065 4.3213 4.3213 4.4509 4.4509 4.6170 4.6170 4.6784 4.6784 5.7155 5.7155 5.7302 5.7302 5.9766 5.9766 5.9858 5.9858 6.3469 6.3469 6.3702 6.3702 6.7478 6.7478 6.7570 6.7570 7.3434 7.3434 7.3506 7.3506 8.8433 8.8433 k = 0.2941 0.5000-0.0000 ( 14174 PWs) bands (ev): -71.7971 -71.7971 -71.7971 -71.7971 -41.5787 -41.5787 -41.5786 -41.5786 -40.4338 -40.4338 -40.4338 -40.4338 -40.2976 -40.2976 -40.2975 -40.2975 -24.4635 -24.4635 -24.4635 -24.4635 -8.2058 -8.2058 -8.2028 -8.2028 -7.9748 -7.9748 -7.9467 -7.9467 -7.9016 -7.9016 -7.8765 -7.8765 -2.2296 -2.2296 -2.2287 -2.2287 2.9448 2.9448 2.9912 2.9912 4.3252 4.3252 4.4511 4.4511 4.6335 4.6335 4.6925 4.6925 5.7099 5.7099 5.7237 5.7237 5.9574 5.9574 5.9644 5.9644 6.3536 6.3536 6.3790 6.3790 6.7288 6.7288 6.7384 6.7384 7.3307 7.3307 7.3380 7.3380 8.8079 8.8079 k = 0.3088 0.5000-0.0000 ( 14168 PWs) bands (ev): -71.7969 -71.7969 -71.7969 -71.7969 -41.5787 -41.5787 -41.5786 -41.5786 -40.4338 -40.4338 -40.4338 -40.4338 -40.2976 -40.2976 -40.2975 -40.2975 -24.4634 -24.4634 -24.4634 -24.4634 -8.2061 -8.2061 -8.2031 -8.2031 -7.9747 -7.9747 -7.9474 -7.9474 -7.9018 -7.9018 -7.8774 -7.8774 -2.2208 -2.2208 -2.2199 -2.2199 2.9302 2.9302 2.9749 2.9749 4.3303 4.3303 4.4515 4.4515 4.6511 4.6511 4.7073 4.7073 5.7059 5.7059 5.7188 5.7188 5.9396 5.9396 5.9443 5.9443 6.3595 6.3595 6.3871 6.3871 6.7096 6.7096 6.7198 6.7198 7.3168 7.3168 7.3243 7.3243 8.7779 8.7779 k = 0.3235 0.5000-0.0000 ( 14172 PWs) bands (ev): -71.7971 -71.7971 -71.7971 -71.7971 -41.5787 -41.5787 -41.5786 -41.5786 -40.4338 -40.4338 -40.4338 -40.4338 -40.2976 -40.2976 -40.2975 -40.2975 -24.4633 -24.4633 -24.4633 -24.4633 -8.2063 -8.2063 -8.2035 -8.2035 -7.9744 -7.9744 -7.9482 -7.9482 -7.9018 -7.9018 -7.8784 -7.8784 -2.2124 -2.2124 -2.2115 -2.2115 2.9152 2.9152 2.9578 2.9578 4.3366 4.3366 4.4520 4.4520 4.6694 4.6694 4.7225 4.7225 5.7016 5.7016 5.7136 5.7136 5.9216 5.9216 5.9243 5.9243 6.3640 6.3640 6.3934 6.3934 6.6890 6.6890 6.6999 6.6999 7.3029 7.3029 7.3103 7.3103 8.7530 8.7530 k = 0.3382 0.5000-0.0000 ( 14168 PWs) bands (ev): -71.7969 -71.7969 -71.7969 -71.7969 -41.5787 -41.5787 -41.5787 -41.5787 -40.4338 -40.4338 -40.4338 -40.4338 -40.2975 -40.2975 -40.2975 -40.2975 -24.4633 -24.4633 -24.4633 -24.4633 -8.2066 -8.2066 -8.2039 -8.2039 -7.9740 -7.9740 -7.9491 -7.9491 -7.9017 -7.9017 -7.8795 -7.8795 -2.2042 -2.2042 -2.2033 -2.2033 2.9003 2.9003 2.9406 2.9406 4.3441 4.3441 4.4529 4.4529 4.6880 4.6880 4.7378 4.7378 5.6995 5.6995 5.7102 5.7102 5.9040 5.9040 5.9047 5.9047 6.3689 6.3689 6.3999 6.3999 6.6691 6.6691 6.6808 6.6808 7.2905 7.2905 7.2978 7.2978 8.7333 8.7333 k = 0.3529 0.5000-0.0000 ( 14144 PWs) bands (ev): -71.7961 -71.7961 -71.7961 -71.7961 -41.5787 -41.5787 -41.5786 -41.5786 -40.4338 -40.4338 -40.4338 -40.4338 -40.2975 -40.2975 -40.2975 -40.2975 -24.4632 -24.4632 -24.4632 -24.4632 -8.2068 -8.2068 -8.2043 -8.2043 -7.9734 -7.9734 -7.9501 -7.9501 -7.9014 -7.9014 -7.8805 -7.8805 -2.1963 -2.1963 -2.1955 -2.1955 2.8860 2.8860 2.9234 2.9234 4.3527 4.3527 4.4540 4.4540 4.7069 4.7069 4.7528 4.7528 5.7004 5.7004 5.7099 5.7099 5.8890 5.8890 5.8899 5.8899 6.3739 6.3739 6.4063 6.4063 6.6500 6.6500 6.6627 6.6627 7.2818 7.2818 7.2889 7.2889 8.7185 8.7185 k = 0.3676 0.5000-0.0000 ( 14154 PWs) bands (ev): -71.7964 -71.7964 -71.7964 -71.7964 -41.5787 -41.5787 -41.5787 -41.5787 -40.4338 -40.4338 -40.4338 -40.4338 -40.2975 -40.2975 -40.2975 -40.2975 -24.4631 -24.4631 -24.4631 -24.4631 -8.2071 -8.2071 -8.2048 -8.2048 -7.9728 -7.9728 -7.9512 -7.9512 -7.9010 -7.9010 -7.8817 -7.8817 -2.1890 -2.1890 -2.1883 -2.1883 2.8719 2.8719 2.9063 2.9063 4.3618 4.3618 4.4548 4.4548 4.7250 4.7250 4.7668 4.7668 5.6994 5.6994 5.7073 5.7073 5.8693 5.8693 5.8721 5.8721 6.3758 6.3758 6.4093 6.4093 6.6293 6.6293 6.6431 6.6431 7.2707 7.2707 7.2774 7.2774 8.7073 8.7073 k = 0.3824 0.5000-0.0000 ( 14144 PWs) bands (ev): -71.7961 -71.7961 -71.7961 -71.7961 -41.5787 -41.5787 -41.5787 -41.5787 -40.4338 -40.4338 -40.4338 -40.4338 -40.2975 -40.2975 -40.2974 -40.2974 -24.4631 -24.4631 -24.4631 -24.4631 -8.2073 -8.2073 -8.2052 -8.2052 -7.9720 -7.9720 -7.9524 -7.9524 -7.9004 -7.9004 -7.8828 -7.8828 -2.1822 -2.1822 -2.1815 -2.1815 2.8591 2.8591 2.8902 2.8902 4.3715 4.3715 4.4556 4.4556 4.7427 4.7427 4.7802 4.7802 5.7020 5.7020 5.7084 5.7084 5.8536 5.8536 5.8577 5.8577 6.3777 6.3777 6.4117 6.4117 6.6095 6.6095 6.6243 6.6243 7.2633 7.2633 7.2694 7.2694 8.7006 8.7006 k = 0.3971 0.5000-0.0000 ( 14146 PWs) bands (ev): -71.7962 -71.7962 -71.7962 -71.7962 -41.5787 -41.5787 -41.5787 -41.5787 -40.4339 -40.4339 -40.4338 -40.4338 -40.2975 -40.2975 -40.2974 -40.2974 -24.4630 -24.4630 -24.4630 -24.4630 -8.2075 -8.2075 -8.2056 -8.2056 -7.9711 -7.9711 -7.9536 -7.9536 -7.8998 -7.8998 -7.8840 -7.8840 -2.1760 -2.1760 -2.1754 -2.1754 2.8470 2.8470 2.8745 2.8745 4.3815 4.3815 4.4562 4.4562 4.7593 4.7593 4.7925 4.7925 5.7040 5.7040 5.7091 5.7091 5.8395 5.8395 5.8447 5.8447 6.3791 6.3791 6.4130 6.4130 6.5899 6.5899 6.6055 6.6055 7.2528 7.2528 7.2584 7.2584 8.6966 8.6966 k = 0.4118 0.5000-0.0000 ( 14162 PWs) bands (ev): -71.7967 -71.7967 -71.7967 -71.7967 -41.5787 -41.5787 -41.5787 -41.5787 -40.4339 -40.4339 -40.4339 -40.4339 -40.2975 -40.2975 -40.2974 -40.2974 -24.4629 -24.4629 -24.4629 -24.4629 -8.2076 -8.2076 -8.2060 -8.2060 -7.9702 -7.9702 -7.9549 -7.9549 -7.8990 -7.8990 -7.8853 -7.8853 -2.1706 -2.1706 -2.1700 -2.1700 2.8362 2.8362 2.8600 2.8600 4.3913 4.3913 4.4561 4.4561 4.7747 4.7747 4.8032 4.8032 5.7051 5.7051 5.7086 5.7086 5.8234 5.8234 5.8294 5.8294 6.3786 6.3786 6.4113 6.4113 6.5730 6.5730 6.5888 6.5888 7.2443 7.2443 7.2492 7.2492 8.6950 8.6950 k = 0.4265 0.5000-0.0000 ( 14158 PWs) bands (ev): -71.7966 -71.7966 -71.7966 -71.7966 -41.5787 -41.5787 -41.5787 -41.5787 -40.4339 -40.4339 -40.4339 -40.4339 -40.2975 -40.2975 -40.2974 -40.2974 -24.4629 -24.4629 -24.4629 -24.4629 -8.2078 -8.2078 -8.2064 -8.2064 -7.9691 -7.9691 -7.9562 -7.9562 -7.8981 -7.8981 -7.8865 -7.8865 -2.1658 -2.1658 -2.1653 -2.1653 2.8273 2.8273 2.8473 2.8473 4.4010 4.4010 4.4556 4.4556 4.7887 4.7887 4.8126 4.8126 5.7081 5.7081 5.7101 5.7101 5.8104 5.8104 5.8168 5.8168 6.3796 6.3796 6.4098 6.4098 6.5601 6.5601 6.5754 6.5754 7.2403 7.2403 7.2444 7.2444 8.6955 8.6955 k = 0.4412 0.5000-0.0000 ( 14146 PWs) bands (ev): -71.7962 -71.7962 -71.7962 -71.7962 -41.5787 -41.5787 -41.5787 -41.5787 -40.4339 -40.4339 -40.4339 -40.4339 -40.2974 -40.2974 -40.2974 -40.2974 -24.4629 -24.4629 -24.4629 -24.4629 -8.2078 -8.2078 -8.2067 -8.2067 -7.9680 -7.9680 -7.9575 -7.9575 -7.8972 -7.8972 -7.8878 -7.8878 -2.1618 -2.1618 -2.1614 -2.1614 2.8200 2.8200 2.8362 2.8362 4.4105 4.4105 4.4546 4.4546 4.8010 4.8010 4.8203 4.8203 5.7112 5.7112 5.7120 5.7120 5.8007 5.8007 5.8070 5.8070 6.3823 6.3823 6.4088 6.4088 6.5513 6.5513 6.5652 6.5652 7.2368 7.2368 7.2401 7.2401 8.6973 8.6973 k = 0.4559 0.5000-0.0000 ( 14140 PWs) bands (ev): -71.7960 -71.7960 -71.7960 -71.7960 -41.5787 -41.5787 -41.5787 -41.5787 -40.4339 -40.4339 -40.4339 -40.4339 -40.2974 -40.2974 -40.2974 -40.2974 -24.4628 -24.4628 -24.4628 -24.4628 -8.2079 -8.2079 -8.2070 -8.2070 -7.9668 -7.9668 -7.9589 -7.9589 -7.8961 -7.8961 -7.8890 -7.8890 -2.1587 -2.1587 -2.1584 -2.1584 2.8148 2.8148 2.8270 2.8270 4.4192 4.4192 4.4525 4.4525 4.8114 4.8114 4.8259 4.8259 5.7136 5.7136 5.7138 5.7138 5.7915 5.7915 5.7973 5.7973 6.3836 6.3836 6.4048 6.4048 6.5457 6.5457 6.5570 6.5570 7.2358 7.2358 7.2383 7.2383 8.6994 8.6994 k = 0.4706 0.5000-0.0000 ( 14128 PWs) bands (ev): -71.7956 -71.7956 -71.7956 -71.7956 -41.5787 -41.5787 -41.5787 -41.5787 -40.4339 -40.4339 -40.4339 -40.4339 -40.2974 -40.2974 -40.2974 -40.2974 -24.4628 -24.4628 -24.4628 -24.4628 -8.2079 -8.2079 -8.2073 -8.2073 -7.9656 -7.9656 -7.9603 -7.9603 -7.8950 -7.8950 -7.8903 -7.8903 -2.1564 -2.1564 -2.1562 -2.1562 2.8115 2.8115 2.8197 2.8197 4.4273 4.4273 4.4496 4.4496 4.8198 4.8198 4.8295 4.8295 5.7166 5.7166 5.7172 5.7172 5.7868 5.7868 5.7912 5.7912 6.3868 6.3868 6.4016 6.4016 6.5420 6.5420 6.5501 6.5501 7.2341 7.2341 7.2358 7.2358 8.7016 8.7016 k = 0.4853 0.5000-0.0000 ( 14132 PWs) bands (ev): -71.7957 -71.7957 -71.7957 -71.7957 -41.5787 -41.5787 -41.5787 -41.5787 -40.4339 -40.4339 -40.4339 -40.4339 -40.2974 -40.2974 -40.2974 -40.2974 -24.4628 -24.4628 -24.4628 -24.4628 -8.2078 -8.2078 -8.2075 -8.2075 -7.9643 -7.9643 -7.9616 -7.9616 -7.8939 -7.8939 -7.8915 -7.8915 -2.1550 -2.1550 -2.1548 -2.1548 2.8103 2.8103 2.8144 2.8144 4.4344 4.4344 4.4456 4.4456 4.8257 4.8257 4.8306 4.8306 5.7177 5.7177 5.7182 5.7182 5.7835 5.7835 5.7859 5.7859 6.3893 6.3893 6.3970 6.3970 6.5388 6.5388 6.5431 6.5431 7.2328 7.2328 7.2337 7.2337 8.7030 8.7030 k = 0.5000 0.5000-0.0000 ( 14140 PWs) bands (ev): -71.7960 -71.7960 -71.7960 -71.7960 -41.5787 -41.5787 -41.5787 -41.5787 -40.4339 -40.4339 -40.4339 -40.4339 -40.2974 -40.2974 -40.2974 -40.2974 -24.4628 -24.4628 -24.4628 -24.4628 -8.2077 -8.2077 -8.2077 -8.2077 -7.9630 -7.9630 -7.9630 -7.9630 -7.8927 -7.8927 -7.8927 -7.8927 -2.1544 -2.1544 -2.1544 -2.1544 2.8113 2.8113 2.8113 2.8113 4.4405 4.4405 4.4405 4.4405 4.8294 4.8294 4.8294 4.8294 5.7184 5.7184 5.7184 5.7184 5.7821 5.7821 5.7821 5.7821 6.3925 6.3925 6.3925 6.3925 6.5373 6.5373 6.5373 6.5373 7.2325 7.2325 7.2325 7.2325 8.7034 8.7034 k = 0.5000 0.5000-0.0000 ( 14140 PWs) bands (ev): -71.7960 -71.7960 -71.7960 -71.7960 -41.5787 -41.5787 -41.5787 -41.5787 -40.4339 -40.4339 -40.4339 -40.4339 -40.2974 -40.2974 -40.2974 -40.2974 -24.4628 -24.4628 -24.4628 -24.4628 -8.2077 -8.2077 -8.2077 -8.2077 -7.9630 -7.9630 -7.9630 -7.9630 -7.8927 -7.8927 -7.8927 -7.8927 -2.1544 -2.1544 -2.1544 -2.1544 2.8113 2.8113 2.8113 2.8113 4.4405 4.4405 4.4405 4.4405 4.8294 4.8294 4.8294 4.8294 5.7184 5.7184 5.7184 5.7184 5.7821 5.7821 5.7821 5.7821 6.3925 6.3925 6.3925 6.3925 6.5373 6.5373 6.5373 6.5373 7.2325 7.2325 7.2325 7.2325 8.7034 8.7034 k = 0.4896 0.4896-0.0000 ( 14132 PWs) bands (ev): -71.7960 -71.7960 -71.7955 -71.7955 -41.5787 -41.5787 -41.5787 -41.5787 -40.4339 -40.4339 -40.4339 -40.4339 -40.2974 -40.2974 -40.2974 -40.2974 -24.4628 -24.4628 -24.4628 -24.4628 -8.2078 -8.2078 -8.2075 -8.2075 -7.9643 -7.9643 -7.9616 -7.9616 -7.8939 -7.8939 -7.8915 -7.8915 -2.1554 -2.1554 -2.1544 -2.1544 2.8103 2.8103 2.8144 2.8144 4.4343 4.4343 4.4456 4.4456 4.8255 4.8255 4.8308 4.8308 5.7177 5.7177 5.7182 5.7182 5.7834 5.7834 5.7859 5.7859 6.3883 6.3883 6.3980 6.3980 6.5375 6.5375 6.5443 6.5443 7.2328 7.2328 7.2337 7.2337 8.7019 8.7019 k = 0.4792 0.4792-0.0000 ( 14140 PWs) bands (ev): -71.7960 -71.7960 -71.7960 -71.7960 -41.5787 -41.5787 -41.5787 -41.5787 -40.4339 -40.4339 -40.4338 -40.4338 -40.2974 -40.2974 -40.2974 -40.2974 -24.4628 -24.4628 -24.4628 -24.4628 -8.2079 -8.2079 -8.2073 -8.2073 -7.9656 -7.9656 -7.9603 -7.9603 -7.8951 -7.8951 -7.8903 -7.8903 -2.1584 -2.1584 -2.1541 -2.1541 2.8113 2.8113 2.8199 2.8199 4.4268 4.4268 4.4497 4.4497 4.8182 4.8182 4.8308 4.8308 5.7151 5.7151 5.7177 5.7177 5.7841 5.7841 5.7914 5.7914 6.3824 6.3824 6.4031 6.4031 6.5365 6.5365 6.5517 6.5517 7.2328 7.2328 7.2360 7.2360 8.6973 8.6973 k = 0.4688 0.4687-0.0000 ( 14146 PWs) bands (ev): -71.7964 -71.7964 -71.7960 -71.7960 -41.5788 -41.5788 -41.5787 -41.5787 -40.4340 -40.4340 -40.4338 -40.4338 -40.2974 -40.2974 -40.2974 -40.2974 -24.4629 -24.4629 -24.4628 -24.4628 -8.2079 -8.2079 -8.2070 -8.2070 -7.9668 -7.9668 -7.9589 -7.9589 -7.8962 -7.8962 -7.8890 -7.8890 -2.1634 -2.1634 -2.1537 -2.1537 2.8143 2.8143 2.8278 2.8278 4.4180 4.4180 4.4534 4.4534 4.8070 4.8070 4.8301 4.8301 5.7122 5.7122 5.7167 5.7167 5.7883 5.7883 5.7995 5.7995 6.3736 6.3736 6.4165 6.4165 6.5346 6.5346 6.5616 6.5616 7.2319 7.2319 7.2399 7.2399 8.6900 8.6900 k = 0.4583 0.4583-0.0000 ( 14148 PWs) bands (ev): -71.7963 -71.7963 -71.7962 -71.7962 -41.5788 -41.5788 -41.5786 -41.5786 -40.4340 -40.4340 -40.4337 -40.4337 -40.2975 -40.2975 -40.2974 -40.2974 -24.4630 -24.4630 -24.4627 -24.4627 -8.2079 -8.2079 -8.2066 -8.2066 -7.9680 -7.9680 -7.9575 -7.9575 -7.8972 -7.8972 -7.8877 -7.8877 -2.1703 -2.1703 -2.1532 -2.1532 2.8192 2.8192 2.8383 2.8383 4.4078 4.4078 4.4567 4.4567 4.7918 4.7918 4.8290 4.8290 5.7084 5.7084 5.7160 5.7160 5.7949 5.7949 5.8112 5.8112 6.3659 6.3659 6.4335 6.4335 6.5325 6.5325 6.5736 6.5736 7.2308 7.2308 7.2472 7.2472 8.6816 8.6816 k = 0.4479 0.4479-0.0000 ( 14158 PWs) bands (ev): -71.7968 -71.7968 -71.7964 -71.7964 -41.5789 -41.5789 -41.5785 -41.5785 -40.4342 -40.4342 -40.4336 -40.4336 -40.2975 -40.2975 -40.2974 -40.2974 -24.4631 -24.4631 -24.4627 -24.4627 -8.2080 -8.2080 -8.2061 -8.2061 -7.9692 -7.9692 -7.9561 -7.9561 -7.8983 -7.8983 -7.8864 -7.8864 -2.1791 -2.1791 -2.1525 -2.1525 2.8257 2.8257 2.8510 2.8510 4.3958 4.3958 4.4596 4.4596 4.7727 4.7727 4.8274 4.8274 5.7048 5.7048 5.7139 5.7139 5.7998 5.7998 5.8246 5.8246 6.3577 6.3577 6.4520 6.4520 6.5314 6.5314 6.5918 6.5918 7.2272 7.2272 7.2545 7.2545 8.6725 8.6725 k = 0.4375 0.4375-0.0000 ( 14162 PWs) bands (ev): -71.7971 -71.7971 -71.7963 -71.7963 -41.5789 -41.5789 -41.5785 -41.5785 -40.4343 -40.4343 -40.4335 -40.4335 -40.2975 -40.2975 -40.2974 -40.2974 -24.4632 -24.4632 -24.4627 -24.4627 -8.2080 -8.2080 -8.2056 -8.2056 -7.9703 -7.9703 -7.9547 -7.9547 -7.8993 -7.8993 -7.8851 -7.8851 -2.1899 -2.1899 -2.1518 -2.1518 2.8339 2.8339 2.8667 2.8667 4.3822 4.3822 4.4623 4.4623 4.7500 4.7500 4.8253 4.8253 5.7013 5.7013 5.7113 5.7113 5.8093 5.8093 5.8385 5.8385 6.3488 6.3488 6.4743 6.4743 6.5294 6.5294 6.6156 6.6156 7.2290 7.2290 7.2613 7.2613 8.6642 8.6642 k = 0.4271 0.4271-0.0000 ( 14160 PWs) bands (ev): -71.7968 -71.7968 -71.7965 -71.7965 -41.5790 -41.5790 -41.5784 -41.5784 -40.4344 -40.4344 -40.4333 -40.4333 -40.2975 -40.2975 -40.2974 -40.2974 -24.4634 -24.4634 -24.4626 -24.4626 -8.2079 -8.2079 -8.2049 -8.2049 -7.9713 -7.9713 -7.9534 -7.9534 -7.9002 -7.9002 -7.8837 -7.8837 -2.2025 -2.2025 -2.1510 -2.1510 2.8446 2.8446 2.8850 2.8850 4.3670 4.3670 4.4648 4.4648 4.7241 4.7241 4.8232 4.8232 5.6980 5.6980 5.7149 5.7149 5.8202 5.8202 5.8544 5.8544 6.3395 6.3395 6.4998 6.4998 6.5283 6.5283 6.6347 6.6347 7.2274 7.2274 7.2756 7.2756 8.6582 8.6582 k = 0.4167 0.4167-0.0000 ( 14158 PWs) bands (ev): -71.7969 -71.7969 -71.7962 -71.7962 -41.5791 -41.5791 -41.5783 -41.5783 -40.4345 -40.4345 -40.4332 -40.4332 -40.2976 -40.2976 -40.2974 -40.2974 -24.4636 -24.4636 -24.4625 -24.4625 -8.2079 -8.2079 -8.2041 -8.2041 -7.9722 -7.9722 -7.9520 -7.9520 -7.9011 -7.9011 -7.8824 -7.8824 -2.2168 -2.2168 -2.1502 -2.1502 2.8566 2.8566 2.9060 2.9060 4.3504 4.3504 4.4678 4.4678 4.6953 4.6953 4.8208 4.8208 5.6953 5.6953 5.7169 5.7169 5.8300 5.8300 5.8711 5.8711 6.3359 6.3359 6.5225 6.5225 6.5323 6.5323 6.6596 6.6596 7.2283 7.2283 7.2842 7.2842 8.6551 8.6551 k = 0.4062 0.4062-0.0000 ( 14166 PWs) bands (ev): -71.7972 -71.7972 -71.7965 -71.7965 -41.5792 -41.5792 -41.5782 -41.5782 -40.4347 -40.4347 -40.4330 -40.4330 -40.2976 -40.2976 -40.2974 -40.2974 -24.4638 -24.4638 -24.4625 -24.4625 -8.2079 -8.2079 -8.2032 -8.2032 -7.9730 -7.9730 -7.9506 -7.9506 -7.9020 -7.9020 -7.8811 -7.8811 -2.2329 -2.2329 -2.1494 -2.1494 2.8701 2.8701 2.9296 2.9296 4.3322 4.3322 4.4705 4.4705 4.6639 4.6639 4.8183 4.8183 5.6920 5.6920 5.7182 5.7182 5.8416 5.8416 5.8902 5.8902 6.3302 6.3302 6.5223 6.5223 6.5618 6.5618 6.6835 6.6835 7.2269 7.2269 7.2904 7.2904 8.6562 8.6562 k = 0.3958 0.3958-0.0000 ( 14168 PWs) bands (ev): -71.7970 -71.7970 -71.7969 -71.7969 -41.5793 -41.5793 -41.5780 -41.5780 -40.4349 -40.4349 -40.4328 -40.4328 -40.2976 -40.2976 -40.2974 -40.2974 -24.4640 -24.4640 -24.4624 -24.4624 -8.2079 -8.2079 -8.2022 -8.2022 -7.9737 -7.9737 -7.9493 -7.9493 -7.9029 -7.9029 -7.8797 -7.8797 -2.2507 -2.2507 -2.1486 -2.1486 2.8859 2.8859 2.9563 2.9563 4.3126 4.3126 4.4731 4.4731 4.6305 4.6305 4.8157 4.8157 5.6891 5.6891 5.7202 5.7202 5.8547 5.8547 5.9076 5.9076 6.3245 6.3245 6.5183 6.5183 6.5958 6.5958 6.7103 6.7103 7.2310 7.2310 7.3008 7.3008 8.6630 8.6630 k = 0.3854 0.3854-0.0000 ( 14174 PWs) bands (ev): -71.7974 -71.7974 -71.7969 -71.7969 -41.5794 -41.5794 -41.5779 -41.5779 -40.4351 -40.4351 -40.4326 -40.4326 -40.2977 -40.2977 -40.2974 -40.2974 -24.4643 -24.4643 -24.4623 -24.4623 -8.2079 -8.2079 -8.2012 -8.2012 -7.9743 -7.9743 -7.9479 -7.9479 -7.9036 -7.9036 -7.8784 -7.8784 -2.2700 -2.2700 -2.1480 -2.1480 2.9033 2.9033 2.9852 2.9852 4.2917 4.2917 4.4752 4.4752 4.5955 4.5955 4.8127 4.8127 5.6860 5.6860 5.7271 5.7271 5.8690 5.8690 5.9268 5.9268 6.3177 6.3177 6.5171 6.5171 6.6308 6.6308 6.7354 6.7354 7.2311 7.2311 7.3084 7.3084 8.6758 8.6758 k = 0.3750 0.3750-0.0000 ( 14180 PWs) bands (ev): -71.7980 -71.7980 -71.7966 -71.7966 -41.5796 -41.5796 -41.5778 -41.5778 -40.4353 -40.4353 -40.4323 -40.4323 -40.2977 -40.2977 -40.2973 -40.2973 -24.4645 -24.4645 -24.4622 -24.4622 -8.2079 -8.2079 -8.1999 -8.1999 -7.9748 -7.9748 -7.9466 -7.9466 -7.9044 -7.9044 -7.8771 -7.8771 -2.2909 -2.2909 -2.1475 -2.1475 2.9226 2.9226 3.0167 3.0167 4.2696 4.2696 4.4770 4.4770 4.5600 4.5600 4.8094 4.8094 5.6821 5.6821 5.7354 5.7354 5.8823 5.8823 5.9465 5.9465 6.3156 6.3156 6.5140 6.5140 6.6656 6.6656 6.7643 6.7643 7.2306 7.2306 7.3158 7.3158 8.6949 8.6949 k = 0.3646 0.3646-0.0000 ( 14184 PWs) bands (ev): -71.7980 -71.7980 -71.7969 -71.7969 -41.5797 -41.5797 -41.5776 -41.5776 -40.4355 -40.4355 -40.4320 -40.4320 -40.2978 -40.2978 -40.2973 -40.2973 -24.4648 -24.4648 -24.4621 -24.4621 -8.2078 -8.2078 -8.1986 -8.1986 -7.9752 -7.9752 -7.9453 -7.9453 -7.9051 -7.9051 -7.8758 -7.8758 -2.3132 -2.3132 -2.1472 -2.1472 2.9436 2.9436 3.0507 3.0507 4.2462 4.2462 4.4771 4.4771 4.5255 4.5255 4.8070 4.8070 5.6771 5.6771 5.7452 5.7452 5.8991 5.8991 5.9652 5.9652 6.3142 6.3142 6.5100 6.5100 6.7056 6.7056 6.7950 6.7950 7.2309 7.2309 7.3195 7.3195 8.7205 8.7205 k = 0.3542 0.3542-0.0000 ( 14198 PWs) bands (ev): -71.7985 -71.7985 -71.7974 -71.7974 -41.5799 -41.5799 -41.5775 -41.5775 -40.4358 -40.4358 -40.4318 -40.4318 -40.2978 -40.2978 -40.2973 -40.2973 -24.4651 -24.4651 -24.4620 -24.4620 -8.2078 -8.2078 -8.1972 -8.1972 -7.9754 -7.9754 -7.9440 -7.9440 -7.9057 -7.9057 -7.8746 -7.8746 -2.3368 -2.3368 -2.1471 -2.1471 2.9661 2.9661 3.0871 3.0871 4.2216 4.2216 4.4671 4.4671 4.5009 4.5009 4.8039 4.8039 5.6693 5.6693 5.7568 5.7568 5.9155 5.9155 5.9842 5.9842 6.3138 6.3138 6.5037 6.5037 6.7440 6.7440 6.8273 6.8273 7.2312 7.2312 7.3220 7.3220 8.7525 8.7525 k = 0.3438 0.3437-0.0000 ( 14180 PWs) bands (ev): -71.7978 -71.7978 -71.7967 -71.7967 -41.5800 -41.5800 -41.5773 -41.5773 -40.4360 -40.4360 -40.4315 -40.4315 -40.2978 -40.2978 -40.2973 -40.2973 -24.4654 -24.4654 -24.4619 -24.4619 -8.2078 -8.2078 -8.1957 -8.1957 -7.9755 -7.9755 -7.9427 -7.9427 -7.9063 -7.9063 -7.8734 -7.8734 -2.3616 -2.3616 -2.1473 -2.1473 2.9904 2.9904 3.1264 3.1264 4.1959 4.1959 4.4388 4.4388 4.4959 4.4959 4.8020 4.8020 5.6642 5.6642 5.7732 5.7732 5.9348 5.9348 6.0063 6.0063 6.3176 6.3176 6.5013 6.5013 6.7863 6.7863 6.8627 6.8627 7.2358 7.2358 7.3250 7.3250 8.7917 8.7917 k = 0.3333 0.3333-0.0000 ( 14190 PWs) bands (ev): -71.7980 -71.7980 -71.7971 -71.7971 -41.5802 -41.5802 -41.5771 -41.5771 -40.4363 -40.4363 -40.4312 -40.4312 -40.2979 -40.2979 -40.2973 -40.2973 -24.4657 -24.4657 -24.4618 -24.4618 -8.2078 -8.2078 -8.1941 -8.1941 -7.9755 -7.9755 -7.9415 -7.9415 -7.9068 -7.9068 -7.8722 -7.8722 -2.3875 -2.3875 -2.1478 -2.1478 3.0160 3.0160 3.1677 3.1677 4.1689 4.1689 4.4049 4.4049 4.4968 4.4968 4.7995 4.7995 5.6560 5.6560 5.7867 5.7867 5.9545 5.9545 6.0263 6.0263 6.3183 6.3183 6.4973 6.4973 6.8263 6.8263 6.8969 6.8969 7.2362 7.2362 7.3266 7.3266 8.8366 8.8366 k = 0.3229 0.3229-0.0000 ( 14194 PWs) bands (ev): -71.7982 -71.7982 -71.7972 -71.7972 -41.5804 -41.5804 -41.5769 -41.5769 -40.4366 -40.4366 -40.4309 -40.4309 -40.2979 -40.2979 -40.2973 -40.2973 -24.4661 -24.4661 -24.4617 -24.4617 -8.2078 -8.2078 -8.1923 -8.1923 -7.9753 -7.9753 -7.9403 -7.9403 -7.9073 -7.9073 -7.8711 -7.8711 -2.4144 -2.4144 -2.1486 -2.1486 3.0430 3.0430 3.2113 3.2113 4.1406 4.1406 4.3716 4.3716 4.4992 4.4992 4.7972 4.7972 5.6477 5.6477 5.8047 5.8047 5.9736 5.9736 6.0460 6.0460 6.3206 6.3206 6.4944 6.4944 6.8670 6.8670 6.9334 6.9334 7.2363 7.2363 7.3282 7.3282 8.8864 8.8864 k = 0.3125 0.3125-0.0000 ( 14200 PWs) bands (ev): -71.7984 -71.7984 -71.7974 -71.7974 -41.5805 -41.5805 -41.5767 -41.5767 -40.4369 -40.4369 -40.4306 -40.4306 -40.2980 -40.2980 -40.2972 -40.2972 -24.4664 -24.4664 -24.4616 -24.4616 -8.2078 -8.2078 -8.1905 -8.1905 -7.9750 -7.9750 -7.9391 -7.9391 -7.9077 -7.9077 -7.8701 -7.8701 -2.4422 -2.4422 -2.1499 -2.1499 3.0707 3.0707 3.2571 3.2571 4.1112 4.1112 4.3399 4.3399 4.5020 4.5020 4.7949 4.7949 5.6383 5.6383 5.8231 5.8231 5.9958 5.9958 6.0664 6.0664 6.3248 6.3248 6.4903 6.4903 6.9066 6.9066 6.9711 6.9711 7.2364 7.2364 7.3277 7.3277 8.9234 8.9234 k = 0.3021 0.3021-0.0000 ( 14216 PWs) bands (ev): -71.7989 -71.7989 -71.7980 -71.7980 -41.5807 -41.5807 -41.5765 -41.5765 -40.4372 -40.4372 -40.4303 -40.4303 -40.2980 -40.2980 -40.2972 -40.2972 -24.4668 -24.4668 -24.4615 -24.4615 -8.2077 -8.2077 -8.1886 -8.1886 -7.9745 -7.9745 -7.9380 -7.9380 -7.9079 -7.9079 -7.8691 -7.8691 -2.4707 -2.4707 -2.1515 -2.1515 3.0992 3.0992 3.3049 3.3049 4.0808 4.0808 4.3107 4.3107 4.5044 4.5044 4.7937 4.7937 5.6268 5.6268 5.8435 5.8435 6.0166 6.0166 6.0853 6.0853 6.3283 6.3283 6.4841 6.4841 6.9469 6.9469 7.0081 7.0081 7.2349 7.2349 7.3275 7.3275 8.9489 8.9489 k = 0.2917 0.2917-0.0000 ( 14204 PWs) bands (ev): -71.7983 -71.7983 -71.7977 -71.7977 -41.5809 -41.5809 -41.5763 -41.5763 -40.4375 -40.4375 -40.4299 -40.4299 -40.2981 -40.2981 -40.2972 -40.2972 -24.4672 -24.4672 -24.4614 -24.4614 -8.2077 -8.2077 -8.1866 -8.1866 -7.9739 -7.9739 -7.9370 -7.9370 -7.9081 -7.9081 -7.8681 -7.8681 -2.4999 -2.4999 -2.1536 -2.1536 3.1277 3.1277 3.3547 3.3547 4.0504 4.0504 4.2844 4.2844 4.5080 4.5080 4.7936 4.7936 5.6153 5.6153 5.8668 5.8668 6.0433 6.0433 6.1053 6.1053 6.3366 6.3366 6.4826 6.4826 6.9885 6.9885 7.0513 7.0513 7.2364 7.2364 7.3279 7.3279 8.9761 8.9761 k = 0.2812 0.2812-0.0000 ( 14202 PWs) bands (ev): -71.7984 -71.7984 -71.7975 -71.7975 -41.5811 -41.5811 -41.5761 -41.5761 -40.4378 -40.4378 -40.4296 -40.4296 -40.2981 -40.2981 -40.2972 -40.2972 -24.4675 -24.4675 -24.4612 -24.4612 -8.2077 -8.2077 -8.1845 -8.1845 -7.9732 -7.9732 -7.9360 -7.9360 -7.9081 -7.9081 -7.8673 -7.8673 -2.5295 -2.5295 -2.1561 -2.1561 3.1560 3.1560 3.4064 3.4064 4.0205 4.0205 4.2612 4.2612 4.5112 4.5112 4.7936 4.7936 5.6050 5.6050 5.8913 5.8913 6.0636 6.0636 6.1252 6.1252 6.3457 6.3457 6.4798 6.4798 7.0284 7.0284 7.0937 7.0937 7.2362 7.2362 7.3303 7.3303 9.0031 9.0031 k = 0.2708 0.2708-0.0000 ( 14202 PWs) bands (ev): -71.7984 -71.7984 -71.7975 -71.7975 -41.5813 -41.5813 -41.5759 -41.5759 -40.4381 -40.4381 -40.4293 -40.4293 -40.2981 -40.2981 -40.2971 -40.2971 -24.4679 -24.4679 -24.4611 -24.4611 -8.2076 -8.2076 -8.1823 -8.1823 -7.9724 -7.9724 -7.9352 -7.9352 -7.9080 -7.9080 -7.8665 -7.8665 -2.5595 -2.5595 -2.1590 -2.1590 3.1828 3.1828 3.4597 3.4597 3.9922 3.9922 4.2408 4.2408 4.5148 4.5148 4.7957 4.7957 5.5913 5.5913 5.9165 5.9165 6.0875 6.0875 6.1431 6.1431 6.3513 6.3513 6.4763 6.4763 7.0694 7.0694 7.1387 7.1387 7.2373 7.2373 7.3317 7.3317 9.0319 9.0319 k = 0.2604 0.2604-0.0000 ( 14202 PWs) bands (ev): -71.7981 -71.7981 -71.7977 -71.7977 -41.5815 -41.5815 -41.5757 -41.5757 -40.4384 -40.4384 -40.4289 -40.4289 -40.2982 -40.2982 -40.2971 -40.2971 -24.4683 -24.4683 -24.4610 -24.4610 -8.2075 -8.2075 -8.1801 -8.1801 -7.9714 -7.9714 -7.9344 -7.9344 -7.9077 -7.9077 -7.8658 -7.8658 -2.5898 -2.5898 -2.1623 -2.1623 3.2077 3.2077 3.5143 3.5143 3.9668 3.9668 4.2232 4.2232 4.5178 4.5178 4.7962 4.7962 5.5785 5.5785 5.9461 5.9461 6.1094 6.1094 6.1611 6.1611 6.3627 6.3627 6.4733 6.4733 7.1069 7.1069 7.1823 7.1823 7.2371 7.2371 7.3349 7.3349 9.0614 9.0614 k = 0.2500 0.2500-0.0000 ( 14216 PWs) bands (ev): -71.7986 -71.7986 -71.7982 -71.7982 -41.5817 -41.5817 -41.5755 -41.5755 -40.4387 -40.4387 -40.4286 -40.4286 -40.2983 -40.2983 -40.2971 -40.2971 -24.4687 -24.4687 -24.4609 -24.4609 -8.2074 -8.2074 -8.1778 -8.1778 -7.9704 -7.9704 -7.9339 -7.9339 -7.9072 -7.9072 -7.8651 -7.8651 -2.6202 -2.6202 -2.1661 -2.1661 3.2293 3.2293 3.5699 3.5699 3.9461 3.9461 4.2083 4.2083 4.5197 4.5197 4.7979 4.7979 5.5655 5.5655 5.9747 5.9747 6.1284 6.1284 6.1784 6.1784 6.3701 6.3701 6.4691 6.4691 7.1425 7.1425 7.2216 7.2216 7.2385 7.2385 7.3401 7.3401 9.0913 9.0913 k = 0.2396 0.2396-0.0000 ( 14208 PWs) bands (ev): -71.7981 -71.7981 -71.7981 -71.7981 -41.5819 -41.5819 -41.5753 -41.5753 -40.4390 -40.4390 -40.4282 -40.4282 -40.2983 -40.2983 -40.2970 -40.2970 -24.4691 -24.4691 -24.4607 -24.4607 -8.2073 -8.2073 -8.1754 -8.1754 -7.9692 -7.9692 -7.9334 -7.9334 -7.9065 -7.9065 -7.8646 -7.8646 -2.6505 -2.6505 -2.1703 -2.1703 3.2466 3.2466 3.6260 3.6260 3.9317 3.9317 4.1962 4.1962 4.5220 4.5220 4.8013 4.8013 5.5528 5.5528 6.0076 6.0076 6.1499 6.1499 6.1954 6.1954 6.3829 6.3829 6.4706 6.4706 7.1778 7.1778 7.2323 7.2323 7.2716 7.2716 7.3470 7.3470 9.1221 9.1221 k = 0.2292 0.2292-0.0000 ( 14202 PWs) bands (ev): -71.7983 -71.7983 -71.7975 -71.7975 -41.5820 -41.5820 -41.5751 -41.5751 -40.4393 -40.4393 -40.4279 -40.4279 -40.2983 -40.2983 -40.2970 -40.2970 -24.4695 -24.4695 -24.4606 -24.4606 -8.2071 -8.2071 -8.1731 -8.1731 -7.9679 -7.9679 -7.9332 -7.9332 -7.9056 -7.9056 -7.8641 -7.8641 -2.6807 -2.6807 -2.1748 -2.1748 3.2582 3.2582 3.6818 3.6818 3.9255 3.9255 4.1867 4.1867 4.5244 4.5244 4.8058 4.8058 5.5415 5.5415 6.0413 6.0413 6.1705 6.1705 6.2110 6.2110 6.3908 6.3908 6.4707 6.4707 7.2093 7.2093 7.2379 7.2379 7.3169 7.3169 7.3556 7.3556 9.1532 9.1532 k = 0.2188 0.2187-0.0000 ( 14194 PWs) bands (ev): -71.7987 -71.7987 -71.7966 -71.7966 -41.5822 -41.5822 -41.5749 -41.5749 -40.4396 -40.4396 -40.4275 -40.4275 -40.2984 -40.2984 -40.2970 -40.2970 -24.4698 -24.4698 -24.4605 -24.4605 -8.2070 -8.2070 -8.1707 -8.1707 -7.9666 -7.9666 -7.9330 -7.9330 -7.9045 -7.9045 -7.8637 -7.8637 -2.7105 -2.7105 -2.1797 -2.1797 3.2633 3.2633 3.7357 3.7357 3.9299 3.9299 4.1796 4.1796 4.5276 4.5276 4.8104 4.8104 5.5273 5.5273 6.0731 6.0731 6.1892 6.1892 6.2263 6.2263 6.4041 6.4041 6.4742 6.4742 7.2257 7.2257 7.2532 7.2532 7.3607 7.3607 7.3728 7.3728 9.1840 9.1840 k = 0.2083 0.2083-0.0000 ( 14190 PWs) bands (ev): -71.7985 -71.7985 -71.7965 -71.7965 -41.5824 -41.5824 -41.5747 -41.5747 -40.4399 -40.4399 -40.4272 -40.4272 -40.2984 -40.2984 -40.2970 -40.2970 -24.4702 -24.4702 -24.4604 -24.4604 -8.2068 -8.2068 -8.1683 -8.1683 -7.9652 -7.9652 -7.9330 -7.9330 -7.9032 -7.9032 -7.8634 -7.8634 -2.7400 -2.7400 -2.1849 -2.1849 3.2616 3.2616 3.7854 3.7854 3.9463 3.9463 4.1749 4.1749 4.5302 4.5302 4.8145 4.8145 5.5145 5.5145 6.1098 6.1098 6.2050 6.2050 6.2396 6.2396 6.4181 6.4181 6.4797 6.4797 7.2274 7.2274 7.2767 7.2767 7.3788 7.3788 7.4167 7.4167 9.2139 9.2139 k = 0.1979 0.1979-0.0000 ( 14190 PWs) bands (ev): -71.7987 -71.7987 -71.7963 -71.7963 -41.5826 -41.5826 -41.5745 -41.5745 -40.4402 -40.4402 -40.4268 -40.4268 -40.2984 -40.2984 -40.2969 -40.2969 -24.4706 -24.4706 -24.4603 -24.4603 -8.2066 -8.2066 -8.1659 -8.1659 -7.9638 -7.9638 -7.9331 -7.9331 -7.9018 -7.9018 -7.8632 -7.8632 -2.7690 -2.7690 -2.1904 -2.1904 3.2535 3.2535 3.8292 3.8292 3.9763 3.9763 4.1734 4.1734 4.5321 4.5321 4.8206 4.8206 5.5005 5.5005 6.1459 6.1459 6.2167 6.2167 6.2527 6.2527 6.4286 6.4286 6.4870 6.4870 7.2273 7.2273 7.3003 7.3003 7.3945 7.3945 7.4658 7.4658 9.2416 9.2416 k = 0.1875 0.1875-0.0000 ( 14195 PWs) bands (ev): -71.7991 -71.7991 -71.7962 -71.7962 -41.5828 -41.5828 -41.5743 -41.5743 -40.4405 -40.4405 -40.4265 -40.4265 -40.2985 -40.2985 -40.2969 -40.2969 -24.4709 -24.4709 -24.4601 -24.4601 -8.2064 -8.2064 -8.1635 -8.1635 -7.9623 -7.9623 -7.9333 -7.9333 -7.9003 -7.9003 -7.8631 -7.8631 -2.7972 -2.7972 -2.1960 -2.1960 3.2397 3.2397 3.8664 3.8664 4.0184 4.0184 4.1750 4.1750 4.5340 4.5340 4.8268 4.8268 5.4851 5.4851 6.1800 6.1800 6.2270 6.2270 6.2653 6.2653 6.4420 6.4420 6.4965 6.4965 7.2243 7.2243 7.3200 7.3200 7.4114 7.4114 7.5170 7.5170 9.2664 9.2664 k = 0.1771 0.1771-0.0000 ( 14183 PWs) bands (ev): -71.7989 -71.7989 -71.7956 -71.7956 -41.5829 -41.5829 -41.5741 -41.5741 -40.4408 -40.4408 -40.4262 -40.4262 -40.2985 -40.2985 -40.2969 -40.2969 -24.4713 -24.4713 -24.4600 -24.4600 -8.2061 -8.2061 -8.1612 -8.1612 -7.9608 -7.9608 -7.9336 -7.9336 -7.8986 -7.8986 -7.8630 -7.8630 -2.8247 -2.8247 -2.2019 -2.2019 3.2217 3.2217 3.8989 3.8989 4.0688 4.0688 4.1809 4.1809 4.5373 4.5373 4.8339 4.8339 5.4708 5.4708 6.2155 6.2155 6.2376 6.2376 6.2773 6.2773 6.4568 6.4568 6.5098 6.5098 7.2233 7.2233 7.3373 7.3373 7.4305 7.4305 7.5725 7.5725 9.2475 9.2475 k = 0.1667 0.1667-0.0000 ( 14179 PWs) bands (ev): -71.7988 -71.7988 -71.7954 -71.7954 -41.5831 -41.5831 -41.5739 -41.5739 -40.4410 -40.4410 -40.4259 -40.4259 -40.2985 -40.2985 -40.2969 -40.2969 -24.4716 -24.4716 -24.4599 -24.4599 -8.2059 -8.2059 -8.1589 -8.1589 -7.9592 -7.9592 -7.9339 -7.9339 -7.8969 -7.8969 -7.8630 -7.8630 -2.8513 -2.8513 -2.2079 -2.2079 3.2004 3.2004 3.9279 3.9279 4.1215 4.1215 4.1934 4.1934 4.5397 4.5397 4.8416 4.8416 5.4575 5.4575 6.2335 6.2335 6.2598 6.2598 6.2895 6.2895 6.4724 6.4724 6.5243 6.5243 7.2190 7.2190 7.3510 7.3510 7.4505 7.4505 7.6281 7.6281 9.2109 9.2109 k = 0.1562 0.1562-0.0000 ( 14167 PWs) bands (ev): -71.7984 -71.7984 -71.7951 -71.7951 -41.5833 -41.5833 -41.5737 -41.5737 -40.4413 -40.4413 -40.4256 -40.4256 -40.2985 -40.2985 -40.2968 -40.2968 -24.4720 -24.4720 -24.4598 -24.4598 -8.2056 -8.2056 -8.1566 -8.1566 -7.9577 -7.9577 -7.9343 -7.9343 -7.8951 -7.8951 -7.8631 -7.8631 -2.8769 -2.8769 -2.2139 -2.2139 3.1770 3.1770 3.9538 3.9538 4.1674 4.1674 4.2199 4.2199 4.5424 4.5424 4.8503 4.8503 5.4447 5.4447 6.2379 6.2379 6.2843 6.2843 6.3118 6.3118 6.4905 6.4905 6.5421 6.5421 7.2143 7.2143 7.3617 7.3617 7.4722 7.4722 7.6858 7.6858 9.1687 9.1687 k = 0.1458 0.1458-0.0000 ( 14181 PWs) bands (ev): -71.7991 -71.7991 -71.7953 -71.7953 -41.5834 -41.5834 -41.5736 -41.5736 -40.4416 -40.4416 -40.4253 -40.4253 -40.2986 -40.2986 -40.2968 -40.2968 -24.4723 -24.4723 -24.4597 -24.4597 -8.2053 -8.2053 -8.1544 -8.1544 -7.9562 -7.9562 -7.9347 -7.9347 -7.8934 -7.8934 -7.8633 -7.8633 -2.9014 -2.9014 -2.2199 -2.2199 3.1522 3.1522 3.9759 3.9759 4.1980 4.1980 4.2667 4.2667 4.5441 4.5441 4.8590 4.8590 5.4308 5.4308 6.2375 6.2375 6.2928 6.2928 6.3446 6.3446 6.5032 6.5032 6.5583 6.5583 7.2061 7.2061 7.3670 7.3670 7.4949 7.4949 7.7430 7.7430 9.1213 9.1213 k = 0.1354 0.1354-0.0000 ( 14185 PWs) bands (ev): -71.7992 -71.7992 -71.7955 -71.7955 -41.5836 -41.5836 -41.5734 -41.5734 -40.4418 -40.4418 -40.4250 -40.4250 -40.2986 -40.2986 -40.2968 -40.2968 -24.4726 -24.4726 -24.4596 -24.4596 -8.2050 -8.2050 -8.1523 -8.1523 -7.9547 -7.9547 -7.9351 -7.9351 -7.8916 -7.8916 -7.8634 -7.8634 -2.9247 -2.9247 -2.2258 -2.2258 3.1272 3.1272 3.9947 3.9947 4.2240 4.2240 4.3232 4.3232 4.5466 4.5466 4.8692 4.8692 5.4181 5.4181 6.2335 6.2335 6.2979 6.2979 6.3839 6.3839 6.5184 6.5184 6.5754 6.5754 7.1937 7.1937 7.3701 7.3701 7.5209 7.5209 7.8026 7.8026 9.0707 9.0707 k = 0.1250 0.1250-0.0000 ( 14185 PWs) bands (ev): -71.7995 -71.7995 -71.7952 -71.7952 -41.5837 -41.5837 -41.5733 -41.5733 -40.4421 -40.4421 -40.4248 -40.4248 -40.2986 -40.2986 -40.2967 -40.2967 -24.4729 -24.4729 -24.4595 -24.4595 -8.2048 -8.2048 -8.1503 -8.1503 -7.9533 -7.9533 -7.9356 -7.9356 -7.8898 -7.8898 -7.8637 -7.8637 -2.9466 -2.9466 -2.2316 -2.2316 3.1024 3.1024 4.0095 4.0095 4.2506 4.2506 4.3815 4.3815 4.5491 4.5491 4.8800 4.8800 5.4040 5.4040 6.2308 6.2308 6.3017 6.3017 6.4224 6.4224 6.5339 6.5339 6.5955 6.5955 7.1853 7.1853 7.3689 7.3689 7.5481 7.5481 7.8633 7.8633 9.0170 9.0170 k = 0.1146 0.1146-0.0000 ( 14193 PWs) bands (ev): -71.7998 -71.7998 -71.7954 -71.7954 -41.5838 -41.5838 -41.5731 -41.5731 -40.4423 -40.4423 -40.4246 -40.4246 -40.2986 -40.2986 -40.2967 -40.2967 -24.4731 -24.4731 -24.4594 -24.4594 -8.2045 -8.2045 -8.1484 -8.1484 -7.9519 -7.9519 -7.9360 -7.9360 -7.8881 -7.8881 -7.8639 -7.8639 -2.9672 -2.9672 -2.2371 -2.2371 3.0785 3.0785 4.0209 4.0209 4.2785 4.2785 4.4387 4.4387 4.5515 4.5515 4.8917 4.8917 5.3909 5.3909 6.2245 6.2245 6.3048 6.3048 6.4615 6.4615 6.5454 6.5454 6.6156 6.6156 7.1747 7.1747 7.3639 7.3639 7.5771 7.5771 7.9239 7.9239 8.9612 8.9612 k = 0.1042 0.1042-0.0000 ( 14187 PWs) bands (ev): -71.7998 -71.7998 -71.7949 -71.7949 -41.5840 -41.5840 -41.5730 -41.5730 -40.4425 -40.4425 -40.4244 -40.4244 -40.2986 -40.2986 -40.2967 -40.2967 -24.4734 -24.4734 -24.4594 -24.4594 -8.2042 -8.2042 -8.1466 -8.1466 -7.9505 -7.9505 -7.9364 -7.9364 -7.8865 -7.8865 -7.8642 -7.8642 -2.9862 -2.9862 -2.2425 -2.2425 3.0557 3.0557 4.0303 4.0303 4.3082 4.3082 4.4929 4.4929 4.5557 4.5557 4.9050 4.9050 5.3799 5.3799 6.2172 6.2172 6.3077 6.3077 6.5010 6.5010 6.5595 6.5595 6.6362 6.6362 7.1632 7.1632 7.3572 7.3572 7.6093 7.6093 7.9864 7.9864 8.9051 8.9051 k = 0.0938 0.0937-0.0000 ( 14187 PWs) bands (ev): -71.8001 -71.8001 -71.7946 -71.7946 -41.5841 -41.5841 -41.5729 -41.5729 -40.4427 -40.4427 -40.4242 -40.4242 -40.2987 -40.2987 -40.2967 -40.2967 -24.4736 -24.4736 -24.4593 -24.4593 -8.2039 -8.2039 -8.1450 -8.1450 -7.9493 -7.9493 -7.9368 -7.9368 -7.8850 -7.8850 -7.8645 -7.8645 -3.0037 -3.0037 -2.2475 -2.2475 3.0342 3.0342 4.0375 4.0375 4.3368 4.3368 4.5402 4.5402 4.5642 4.5642 4.9191 4.9191 5.3679 5.3679 6.2089 6.2089 6.3088 6.3088 6.5357 6.5357 6.5747 6.5747 6.6588 6.6588 7.1518 7.1518 7.3468 7.3468 7.6419 7.6419 8.0494 8.0494 8.8484 8.8484 k = 0.0833 0.0833-0.0000 ( 14199 PWs) bands (ev): -71.8002 -71.8002 -71.7954 -71.7954 -41.5842 -41.5842 -41.5728 -41.5728 -40.4429 -40.4429 -40.4240 -40.4240 -40.2987 -40.2987 -40.2966 -40.2966 -24.4738 -24.4738 -24.4592 -24.4592 -8.2037 -8.2037 -8.1434 -8.1434 -7.9481 -7.9481 -7.9371 -7.9371 -7.8836 -7.8836 -7.8648 -7.8648 -3.0195 -3.0195 -2.2521 -2.2521 3.0144 3.0144 4.0425 4.0425 4.3633 4.3633 4.5577 4.5577 4.5966 4.5966 4.9348 4.9348 5.3585 5.3585 6.1979 6.1979 6.3092 6.3092 6.5635 6.5635 6.5945 6.5945 6.6793 6.6793 7.1354 7.1354 7.3340 7.3340 7.6753 7.6753 8.1086 8.1086 8.7925 8.7925 k = 0.0729 0.0729-0.0000 ( 14205 PWs) bands (ev): -71.8003 -71.8003 -71.7956 -71.7956 -41.5843 -41.5843 -41.5727 -41.5727 -40.4430 -40.4430 -40.4239 -40.4239 -40.2987 -40.2987 -40.2966 -40.2966 -24.4740 -24.4740 -24.4592 -24.4592 -8.2035 -8.2035 -8.1421 -8.1421 -7.9471 -7.9471 -7.9374 -7.9374 -7.8823 -7.8823 -7.8651 -7.8651 -3.0337 -3.0337 -2.2563 -2.2563 2.9967 2.9967 4.0469 4.0469 4.3864 4.3864 4.5646 4.5646 4.6370 4.6370 4.9513 4.9513 5.3482 5.3482 6.1863 6.1863 6.3116 6.3116 6.5803 6.5803 6.6205 6.6205 6.7013 6.7013 7.1234 7.1234 7.3195 7.3195 7.7083 7.7083 8.1694 8.1694 8.7376 8.7376 k = 0.0625 0.0625-0.0000 ( 14211 PWs) bands (ev): -71.8006 -71.8006 -71.7957 -71.7957 -41.5844 -41.5844 -41.5726 -41.5726 -40.4431 -40.4431 -40.4237 -40.4237 -40.2987 -40.2987 -40.2966 -40.2966 -24.4741 -24.4741 -24.4591 -24.4591 -8.2032 -8.2032 -8.1409 -8.1409 -7.9461 -7.9461 -7.9377 -7.9377 -7.8812 -7.8812 -7.8653 -7.8653 -3.0461 -3.0461 -2.2601 -2.2601 2.9809 2.9809 4.0501 4.0501 4.4068 4.4068 4.5707 4.5707 4.6723 4.6723 4.9692 4.9692 5.3401 5.3401 6.1763 6.1763 6.3113 6.3113 6.5894 6.5894 6.6495 6.6495 6.7229 6.7229 7.1109 7.1109 7.3041 7.3041 7.7426 7.7426 8.2257 8.2257 8.6871 8.6871 k = 0.0521 0.0521-0.0000 ( 14217 PWs) bands (ev): -71.8004 -71.8004 -71.7963 -71.7963 -41.5844 -41.5844 -41.5725 -41.5725 -40.4433 -40.4433 -40.4236 -40.4236 -40.2988 -40.2988 -40.2966 -40.2966 -24.4743 -24.4743 -24.4591 -24.4591 -8.2031 -8.2031 -8.1399 -8.1399 -7.9453 -7.9453 -7.9379 -7.9379 -7.8802 -7.8802 -7.8656 -7.8656 -3.0566 -3.0566 -2.2634 -2.2634 2.9674 2.9674 4.0522 4.0522 4.4229 4.4229 4.5766 4.5766 4.7014 4.7014 4.9876 4.9876 5.3347 5.3347 6.1639 6.1639 6.3125 6.3125 6.6008 6.6008 6.6761 6.6761 6.7438 6.7438 7.0985 7.0985 7.2882 7.2882 7.7761 7.7761 8.2749 8.2749 8.6424 8.6424 k = 0.0417 0.0417-0.0000 ( 14201 PWs) bands (ev): -71.8001 -71.8001 -71.7955 -71.7955 -41.5845 -41.5845 -41.5725 -41.5725 -40.4433 -40.4433 -40.4235 -40.4235 -40.2988 -40.2988 -40.2966 -40.2966 -24.4744 -24.4744 -24.4590 -24.4590 -8.2029 -8.2029 -8.1390 -8.1390 -7.9447 -7.9447 -7.9381 -7.9381 -7.8794 -7.8794 -7.8657 -7.8657 -3.0653 -3.0653 -2.2661 -2.2661 2.9562 2.9562 4.0550 4.0550 4.4370 4.4370 4.5859 4.5859 4.7245 4.7245 5.0056 5.0056 5.3295 5.3295 6.1538 6.1538 6.3129 6.3129 6.6098 6.6098 6.7005 6.7005 6.7645 6.7645 7.0911 7.0911 7.2743 7.2743 7.8083 7.8083 8.3207 8.3207 8.6084 8.6084 k = 0.0312 0.0312-0.0000 ( 14193 PWs) bands (ev): -71.7998 -71.7998 -71.7952 -71.7952 -41.5845 -41.5845 -41.5724 -41.5724 -40.4434 -40.4434 -40.4234 -40.4234 -40.2988 -40.2988 -40.2966 -40.2966 -24.4745 -24.4745 -24.4590 -24.4590 -8.2028 -8.2028 -8.1383 -8.1383 -7.9441 -7.9441 -7.9383 -7.9383 -7.8788 -7.8788 -7.8659 -7.8659 -3.0721 -3.0721 -2.2682 -2.2682 2.9473 2.9473 4.0570 4.0570 4.4471 4.4471 4.5933 4.5933 4.7415 4.7415 5.0215 5.0215 5.3260 5.3260 6.1456 6.1456 6.3138 6.3138 6.6181 6.6181 6.7195 6.7195 6.7816 6.7816 7.0805 7.0805 7.2617 7.2617 7.8371 7.8371 8.3499 8.3499 8.5879 8.5879 k = 0.0208 0.0208-0.0000 ( 14199 PWs) bands (ev): -71.8002 -71.8002 -71.7953 -71.7953 -41.5846 -41.5846 -41.5724 -41.5724 -40.4434 -40.4434 -40.4233 -40.4233 -40.2988 -40.2988 -40.2966 -40.2966 -24.4745 -24.4745 -24.4590 -24.4590 -8.2027 -8.2027 -8.1378 -8.1378 -7.9437 -7.9437 -7.9384 -7.9384 -7.8784 -7.8784 -7.8660 -7.8660 -3.0770 -3.0770 -2.2697 -2.2697 2.9410 2.9410 4.0584 4.0584 4.4540 4.4540 4.5993 4.5993 4.7531 4.7531 5.0338 5.0338 5.3210 5.3210 6.1387 6.1387 6.3134 6.3134 6.6204 6.6204 6.7317 6.7317 6.7950 6.7950 7.0697 7.0697 7.2515 7.2515 7.8601 7.8601 8.3638 8.3638 8.5813 8.5813 k = 0.0104 0.0104-0.0000 ( 14191 PWs) bands (ev): -71.7997 -71.7997 -71.7953 -71.7953 -41.5846 -41.5846 -41.5724 -41.5724 -40.4435 -40.4435 -40.4233 -40.4233 -40.2988 -40.2988 -40.2965 -40.2965 -24.4746 -24.4746 -24.4590 -24.4590 -8.2026 -8.2026 -8.1376 -8.1376 -7.9435 -7.9435 -7.9385 -7.9385 -7.8781 -7.8781 -7.8660 -7.8660 -3.0799 -3.0799 -2.2707 -2.2707 2.9375 2.9375 4.0590 4.0590 4.4577 4.4577 4.6029 4.6029 4.7603 4.7603 5.0423 5.0423 5.3190 5.3190 6.1348 6.1348 6.3151 6.3151 6.6234 6.6234 6.7426 6.7426 6.8066 6.8066 7.0642 7.0642 7.2448 7.2448 7.8752 7.8752 8.3665 8.3665 8.5827 8.5827 k = 0.0000 0.0000 0.0000 ( 14195 PWs) bands (ev): -71.7991 -71.7991 -71.7961 -71.7961 -41.5846 -41.5846 -41.5723 -41.5723 -40.4435 -40.4435 -40.4233 -40.4233 -40.2988 -40.2988 -40.2965 -40.2965 -24.4746 -24.4746 -24.4590 -24.4590 -8.2026 -8.2026 -8.1375 -8.1375 -7.9434 -7.9434 -7.9385 -7.9385 -7.8780 -7.8780 -7.8660 -7.8660 -3.0809 -3.0809 -2.2710 -2.2710 2.9363 2.9363 4.0591 4.0591 4.4577 4.4577 4.6026 4.6026 4.7630 4.7630 5.0455 5.0455 5.3185 5.3185 6.1298 6.1298 6.3160 6.3160 6.6256 6.6256 6.7481 6.7481 6.8124 6.8124 7.0617 7.0617 7.2423 7.2423 7.8805 7.8805 8.3642 8.3642 8.5823 8.5823 k = 0.0000 0.0000 0.0000 ( 14195 PWs) bands (ev): -71.7991 -71.7991 -71.7961 -71.7961 -41.5846 -41.5846 -41.5723 -41.5723 -40.4435 -40.4435 -40.4233 -40.4233 -40.2988 -40.2988 -40.2965 -40.2965 -24.4746 -24.4746 -24.4590 -24.4590 -8.2026 -8.2026 -8.1375 -8.1375 -7.9434 -7.9434 -7.9385 -7.9385 -7.8780 -7.8780 -7.8660 -7.8660 -3.0809 -3.0809 -2.2710 -2.2710 2.9363 2.9363 4.0591 4.0591 4.4577 4.4577 4.6026 4.6026 4.7630 4.7630 5.0455 5.0455 5.3185 5.3185 6.1298 6.1298 6.3160 6.3160 6.6256 6.6256 6.7481 6.7481 6.8124 6.8124 7.0617 7.0617 7.2423 7.2423 7.8805 7.8805 8.3642 8.3642 8.5823 8.5823 k = 0.0000 0.0000 0.0143 ( 14187 PWs) bands (ev): -71.7999 -71.7999 -71.7947 -71.7947 -41.5846 -41.5846 -41.5724 -41.5724 -40.4435 -40.4435 -40.4233 -40.4233 -40.2988 -40.2988 -40.2966 -40.2966 -24.4746 -24.4746 -24.4590 -24.4590 -8.2026 -8.2026 -8.1375 -8.1375 -7.9434 -7.9434 -7.9385 -7.9385 -7.8780 -7.8780 -7.8661 -7.8661 -3.0804 -3.0804 -2.2715 -2.2715 2.9367 2.9367 4.0575 4.0575 4.4595 4.4595 4.6052 4.6052 4.7623 4.7623 5.0447 5.0447 5.3196 5.3196 6.1357 6.1357 6.3134 6.3134 6.6246 6.6246 6.7438 6.7438 6.8084 6.8084 7.0629 7.0629 7.2330 7.2330 7.8945 7.8945 8.3680 8.3680 8.5851 8.5851 k = 0.0000 0.0000 0.0285 ( 14195 PWs) bands (ev): -71.8005 -71.8005 -71.7947 -71.7947 -41.5846 -41.5846 -41.5724 -41.5724 -40.4435 -40.4435 -40.4233 -40.4233 -40.2988 -40.2988 -40.2966 -40.2966 -24.4746 -24.4746 -24.4590 -24.4590 -8.2026 -8.2026 -8.1375 -8.1375 -7.9434 -7.9434 -7.9384 -7.9384 -7.8780 -7.8780 -7.8662 -7.8662 -3.0790 -3.0790 -2.2730 -2.2730 2.9394 2.9394 4.0520 4.0520 4.4590 4.4590 4.6054 4.6054 4.7618 4.7618 5.0440 5.0440 5.3181 5.3181 6.1364 6.1364 6.3148 6.3148 6.6224 6.6224 6.7413 6.7413 6.8059 6.8059 7.0625 7.0625 7.2071 7.2071 7.9337 7.9337 8.3685 8.3685 8.5836 8.5836 k = 0.0000 0.0000 0.0428 ( 14191 PWs) bands (ev): -71.8011 -71.8011 -71.7939 -71.7939 -41.5846 -41.5846 -41.5724 -41.5724 -40.4435 -40.4435 -40.4233 -40.4233 -40.2987 -40.2987 -40.2966 -40.2966 -24.4746 -24.4746 -24.4590 -24.4590 -8.2025 -8.2025 -8.1376 -8.1376 -7.9434 -7.9434 -7.9382 -7.9382 -7.8780 -7.8780 -7.8664 -7.8664 -3.0766 -3.0766 -2.2755 -2.2755 2.9434 2.9434 4.0433 4.0433 4.4595 4.4595 4.6075 4.6075 4.7613 4.7613 5.0433 5.0433 5.3181 5.3181 6.1406 6.1406 6.3137 6.3137 6.6222 6.6222 6.7392 6.7392 6.8039 6.8039 7.0617 7.0617 7.1706 7.1706 7.9923 7.9923 8.3723 8.3723 8.5833 8.5833 k = 0.0000 0.0000 0.0570 ( 14195 PWs) bands (ev): -71.8005 -71.8005 -71.7948 -71.7948 -41.5846 -41.5846 -41.5724 -41.5724 -40.4435 -40.4435 -40.4233 -40.4233 -40.2988 -40.2988 -40.2966 -40.2966 -24.4746 -24.4746 -24.4590 -24.4590 -8.2024 -8.2024 -8.1377 -8.1377 -7.9434 -7.9434 -7.9380 -7.9380 -7.8780 -7.8780 -7.8667 -7.8667 -3.0733 -3.0733 -2.2789 -2.2789 2.9497 2.9497 4.0302 4.0302 4.4577 4.4577 4.6071 4.6071 4.7612 4.7612 5.0431 5.0431 5.3182 5.3182 6.1378 6.1378 6.3175 6.3175 6.6263 6.6263 6.7405 6.7405 6.8052 6.8052 7.0584 7.0584 7.1288 7.1288 8.0631 8.0631 8.3750 8.3750 8.5787 8.5787 k = 0.0000 0.0000 0.0713 ( 14211 PWs) bands (ev): -71.8006 -71.8006 -71.7959 -71.7959 -41.5846 -41.5846 -41.5724 -41.5724 -40.4435 -40.4435 -40.4233 -40.4233 -40.2988 -40.2988 -40.2966 -40.2966 -24.4746 -24.4746 -24.4590 -24.4590 -8.2023 -8.2023 -8.1379 -8.1379 -7.9434 -7.9434 -7.9378 -7.9378 -7.8780 -7.8780 -7.8671 -7.8671 -3.0692 -3.0692 -2.2832 -2.2832 2.9577 2.9577 4.0131 4.0131 4.4542 4.4542 4.6050 4.6050 4.7608 4.7608 5.0424 5.0424 5.3182 5.3182 6.1394 6.1394 6.3219 6.3219 6.6262 6.6262 6.7399 6.7399 6.8045 6.8045 7.0494 7.0494 7.0901 7.0901 8.1379 8.1379 8.3817 8.3817 8.5709 8.5709 k = 0.0000 0.0000 0.0855 ( 14195 PWs) bands (ev): -71.7995 -71.7995 -71.7959 -71.7959 -41.5846 -41.5846 -41.5724 -41.5724 -40.4435 -40.4435 -40.4233 -40.4233 -40.2988 -40.2988 -40.2965 -40.2965 -24.4746 -24.4746 -24.4590 -24.4590 -8.2022 -8.2022 -8.1380 -8.1380 -7.9434 -7.9434 -7.9375 -7.9375 -7.8780 -7.8780 -7.8675 -7.8675 -3.0643 -3.0643 -2.2882 -2.2882 2.9682 2.9682 3.9939 3.9939 4.4530 4.4530 4.6057 4.6057 4.7607 4.7607 5.0420 5.0420 5.3201 5.3201 6.1418 6.1418 6.3339 6.3339 6.6264 6.6264 6.7418 6.7418 6.8061 6.8061 7.0216 7.0216 7.0724 7.0724 8.2059 8.2059 8.4070 8.4070 8.5661 8.5661 k = 0.0000 0.0000 0.0998 ( 14192 PWs) bands (ev): -71.7993 -71.7993 -71.7959 -71.7959 -41.5846 -41.5846 -41.5723 -41.5723 -40.4435 -40.4435 -40.4233 -40.4233 -40.2988 -40.2988 -40.2965 -40.2965 -24.4746 -24.4746 -24.4590 -24.4590 -8.2021 -8.2021 -8.1382 -8.1382 -7.9434 -7.9434 -7.9372 -7.9372 -7.8780 -7.8780 -7.8680 -7.8680 -3.0587 -3.0587 -2.2940 -2.2940 2.9796 2.9796 3.9718 3.9718 4.4518 4.4518 4.6066 4.6066 4.7604 4.7604 5.0416 5.0416 5.3207 5.3207 6.1445 6.1445 6.3383 6.3383 6.6248 6.6248 6.7434 6.7434 6.8074 6.8074 6.9821 6.9821 7.0682 7.0682 8.2516 8.2516 8.4605 8.4605 8.5608 8.5608 k = 0.0000 0.0000 0.1140 ( 14208 PWs) bands (ev): -71.7998 -71.7998 -71.7964 -71.7964 -41.5846 -41.5846 -41.5724 -41.5724 -40.4435 -40.4435 -40.4233 -40.4233 -40.2988 -40.2988 -40.2966 -40.2966 -24.4746 -24.4746 -24.4590 -24.4590 -8.2019 -8.2019 -8.1384 -8.1384 -7.9434 -7.9434 -7.9368 -7.9368 -7.8780 -7.8780 -7.8685 -7.8685 -3.0526 -3.0526 -2.3003 -2.3003 2.9920 2.9920 3.9469 3.9469 4.4498 4.4498 4.6065 4.6065 4.7594 4.7594 5.0402 5.0402 5.3210 5.3210 6.1473 6.1473 6.3407 6.3407 6.6250 6.6250 6.7406 6.7406 6.8046 6.8046 6.9421 6.9421 7.0633 7.0633 8.2718 8.2718 8.5424 8.5424 8.5537 8.5537 k = 0.0000 0.0000 0.1283 ( 14232 PWs) bands (ev): -71.8015 -71.8015 -71.7964 -71.7964 -41.5846 -41.5846 -41.5724 -41.5724 -40.4435 -40.4435 -40.4233 -40.4233 -40.2988 -40.2988 -40.2966 -40.2966 -24.4746 -24.4746 -24.4590 -24.4590 -8.2018 -8.2018 -8.1387 -8.1387 -7.9434 -7.9434 -7.9364 -7.9364 -7.8780 -7.8780 -7.8690 -7.8690 -3.0460 -3.0460 -2.3071 -2.3071 3.0064 3.0064 3.9199 3.9199 4.4489 4.4489 4.6076 4.6076 4.7578 4.7578 5.0381 5.0381 5.3154 5.3154 6.1500 6.1500 6.3456 6.3456 6.6206 6.6206 6.7335 6.7335 6.7977 6.7977 6.9050 6.9050 7.0627 7.0627 8.2796 8.2796 8.5480 8.5480 8.6418 8.6418 k = 0.0000 0.0000 0.1425 ( 14228 PWs) bands (ev): -71.8015 -71.8015 -71.7961 -71.7961 -41.5846 -41.5846 -41.5724 -41.5724 -40.4435 -40.4435 -40.4233 -40.4233 -40.2988 -40.2988 -40.2966 -40.2966 -24.4746 -24.4746 -24.4590 -24.4590 -8.2016 -8.2016 -8.1389 -8.1389 -7.9434 -7.9434 -7.9360 -7.9360 -7.8781 -7.8781 -7.8696 -7.8696 -3.0392 -3.0392 -2.3141 -2.3141 3.0222 3.0222 3.8916 3.8916 4.4486 4.4486 4.6092 4.6092 4.7570 4.7570 5.0370 5.0370 5.3154 5.3154 6.1533 6.1533 6.3523 6.3523 6.6205 6.6205 6.7325 6.7325 6.7966 6.7966 6.8718 6.8718 7.0624 7.0624 8.2818 8.2818 8.5427 8.5427 8.7497 8.7497 k = 0.0000 0.0000 0.1568 ( 14228 PWs) bands (ev): -71.8015 -71.8015 -71.7961 -71.7961 -41.5846 -41.5846 -41.5724 -41.5724 -40.4435 -40.4435 -40.4233 -40.4233 -40.2988 -40.2988 -40.2966 -40.2966 -24.4746 -24.4746 -24.4590 -24.4590 -8.2015 -8.2015 -8.1391 -8.1391 -7.9434 -7.9434 -7.9356 -7.9356 -7.8781 -7.8781 -7.8702 -7.8702 -3.0322 -3.0322 -2.3213 -2.3213 3.0391 3.0391 3.8617 3.8617 4.4482 4.4482 4.6106 4.6106 4.7562 4.7562 5.0359 5.0359 5.3164 5.3164 6.1546 6.1546 6.3585 6.3585 6.6198 6.6198 6.7314 6.7314 6.7954 6.7954 6.8416 6.8416 7.0638 7.0638 8.2810 8.2810 8.5372 8.5372 8.7361 8.7361 k = 0.0000 0.0000 0.1710 ( 14212 PWs) bands (ev): -71.7999 -71.7999 -71.7966 -71.7966 -41.5846 -41.5846 -41.5724 -41.5724 -40.4435 -40.4435 -40.4233 -40.4233 -40.2988 -40.2988 -40.2966 -40.2966 -24.4745 -24.4745 -24.4590 -24.4590 -8.2013 -8.2013 -8.1393 -8.1393 -7.9434 -7.9434 -7.9352 -7.9352 -7.8781 -7.8781 -7.8708 -7.8708 -3.0252 -3.0252 -2.3285 -2.3285 3.0573 3.0573 3.8308 3.8308 4.4465 4.4465 4.6103 4.6103 4.7563 4.7563 5.0359 5.0359 5.3213 5.3213 6.1565 6.1565 6.3671 6.3671 6.6239 6.6239 6.7365 6.7365 6.8001 6.8001 6.8149 6.8149 7.0635 7.0635 8.2766 8.2766 8.5299 8.5299 8.7199 8.7199 k = 0.0000 0.0000 0.1853 ( 14224 PWs) bands (ev): -71.7997 -71.7997 -71.7977 -71.7977 -41.5846 -41.5846 -41.5723 -41.5723 -40.4435 -40.4435 -40.4233 -40.4233 -40.2989 -40.2989 -40.2966 -40.2966 -24.4745 -24.4745 -24.4590 -24.4590 -8.2012 -8.2012 -8.1395 -8.1395 -7.9434 -7.9434 -7.9349 -7.9349 -7.8781 -7.8781 -7.8713 -7.8713 -3.0184 -3.0184 -2.3355 -2.3355 3.0758 3.0758 3.7997 3.7997 4.4432 4.4432 4.6077 4.6077 4.7557 4.7557 5.0351 5.0351 5.3214 5.3214 6.1578 6.1578 6.3736 6.3736 6.6239 6.6239 6.7370 6.7370 6.7914 6.7914 6.8004 6.8004 7.0669 7.0669 8.2687 8.2687 8.5202 8.5202 8.7044 8.7044 k = 0.0000 0.0000 0.1995 ( 14240 PWs) bands (ev): -71.8008 -71.8008 -71.7976 -71.7976 -41.5846 -41.5846 -41.5724 -41.5724 -40.4435 -40.4435 -40.4233 -40.4233 -40.2989 -40.2989 -40.2966 -40.2966 -24.4745 -24.4745 -24.4590 -24.4590 -8.2010 -8.2010 -8.1397 -8.1397 -7.9434 -7.9434 -7.9345 -7.9345 -7.8781 -7.8781 -7.8719 -7.8719 -3.0120 -3.0120 -2.3421 -2.3421 3.0943 3.0943 3.7698 3.7698 4.4429 4.4429 4.6086 4.6086 4.7547 4.7547 5.0338 5.0338 5.3176 5.3176 6.1606 6.1606 6.3768 6.3768 6.6168 6.6168 6.7343 6.7343 6.7717 6.7717 6.7976 6.7976 7.0670 7.0670 8.2654 8.2654 8.5154 8.5154 8.6905 8.6905 k = 0.0000 0.0000 0.2138 ( 14240 PWs) bands (ev): -71.8003 -71.8003 -71.7982 -71.7982 -41.5846 -41.5846 -41.5724 -41.5724 -40.4435 -40.4435 -40.4233 -40.4233 -40.2989 -40.2989 -40.2965 -40.2965 -24.4745 -24.4745 -24.4590 -24.4590 -8.2009 -8.2009 -8.1399 -8.1399 -7.9434 -7.9434 -7.9342 -7.9342 -7.8781 -7.8781 -7.8723 -7.8723 -3.0062 -3.0062 -2.3480 -2.3480 3.1125 3.1125 3.7416 3.7416 4.4414 4.4414 4.6079 4.6079 4.7545 4.7545 5.0334 5.0334 5.3178 5.3178 6.1617 6.1617 6.3823 6.3823 6.6178 6.6178 6.7364 6.7364 6.7554 6.7554 6.7995 6.7995 7.0676 7.0676 8.2602 8.2602 8.5092 8.5092 8.6780 8.6780 k = 0.0000 0.0000 0.2280 ( 14248 PWs) bands (ev): -71.7998 -71.7998 -71.7993 -71.7993 -41.5846 -41.5846 -41.5724 -41.5724 -40.4435 -40.4435 -40.4233 -40.4233 -40.2990 -40.2990 -40.2965 -40.2965 -24.4745 -24.4745 -24.4590 -24.4590 -8.2008 -8.2008 -8.1401 -8.1401 -7.9434 -7.9434 -7.9339 -7.9339 -7.8781 -7.8781 -7.8727 -7.8727 -3.0012 -3.0012 -2.3532 -2.3532 3.1299 3.1299 3.7148 3.7148 4.4401 4.4401 4.6073 4.6073 4.7541 4.7541 5.0329 5.0329 5.3178 5.3178 6.1590 6.1590 6.3905 6.3905 6.6178 6.6178 6.7370 6.7370 6.7404 6.7404 6.7999 6.7999 7.0677 7.0677 8.2556 8.2556 8.5040 8.5040 8.6672 8.6672 k = 0.0000 0.0000 0.2423 ( 14240 PWs) bands (ev): -71.7998 -71.7998 -71.7988 -71.7988 -41.5846 -41.5846 -41.5724 -41.5724 -40.4435 -40.4435 -40.4233 -40.4233 -40.2989 -40.2989 -40.2965 -40.2965 -24.4745 -24.4745 -24.4590 -24.4590 -8.2007 -8.2007 -8.1402 -8.1402 -7.9434 -7.9434 -7.9337 -7.9337 -7.8781 -7.8781 -7.8730 -7.8730 -2.9971 -2.9971 -2.3574 -2.3574 3.1446 3.1446 3.6932 3.6932 4.4410 4.4410 4.6091 4.6091 4.7537 4.7537 5.0323 5.0323 5.3178 5.3178 6.1626 6.1626 6.3937 6.3937 6.6177 6.6177 6.7304 6.7304 6.7365 6.7365 6.7993 6.7993 7.0681 7.0681 8.2549 8.2549 8.5026 8.5026 8.6589 8.6589 k = 0.0000 0.0000 0.2565 ( 14260 PWs) bands (ev): -71.8001 -71.8001 -71.7999 -71.7999 -41.5847 -41.5847 -41.5724 -41.5724 -40.4436 -40.4436 -40.4233 -40.4233 -40.2989 -40.2989 -40.2965 -40.2965 -24.4745 -24.4745 -24.4590 -24.4590 -8.2006 -8.2006 -8.1403 -8.1403 -7.9434 -7.9434 -7.9335 -7.9335 -7.8781 -7.8781 -7.8733 -7.8733 -2.9941 -2.9941 -2.3606 -2.3606 3.1557 3.1557 3.6751 3.6751 4.4403 4.4403 4.6087 4.6087 4.7533 4.7533 5.0318 5.0318 5.3177 5.3177 6.1613 6.1613 6.3931 6.3931 6.6177 6.6177 6.7210 6.7210 6.7360 6.7360 6.7988 6.7988 7.0614 7.0614 8.2522 8.2522 8.4996 8.4996 8.6527 8.6527 k = 0.0000 0.0000 0.2708 ( 14260 PWs) bands (ev): -71.8007 -71.8007 -71.7993 -71.7993 -41.5846 -41.5846 -41.5724 -41.5724 -40.4436 -40.4436 -40.4233 -40.4233 -40.2989 -40.2989 -40.2965 -40.2965 -24.4745 -24.4745 -24.4590 -24.4590 -8.2006 -8.2006 -8.1403 -8.1403 -7.9434 -7.9434 -7.9334 -7.9334 -7.8781 -7.8781 -7.8734 -7.8734 -2.9922 -2.9922 -2.3625 -2.3625 3.1630 3.1630 3.6653 3.6653 4.4408 4.4408 4.6095 4.6095 4.7527 4.7527 5.0312 5.0312 5.3174 5.3174 6.1630 6.1630 6.3938 6.3938 6.6149 6.6149 6.7180 6.7180 6.7335 6.7335 6.7964 6.7964 7.0638 7.0638 8.2519 8.2519 8.4990 8.4990 8.6489 8.6489 k = 0.0000 0.0000 0.2850 ( 14260 PWs) bands (ev): -71.8007 -71.8007 -71.7993 -71.7993 -41.5847 -41.5847 -41.5724 -41.5724 -40.4436 -40.4436 -40.4233 -40.4233 -40.2989 -40.2989 -40.2965 -40.2965 -24.4745 -24.4745 -24.4590 -24.4590 -8.2006 -8.2006 -8.1403 -8.1403 -7.9434 -7.9434 -7.9333 -7.9333 -7.8781 -7.8781 -7.8735 -7.8735 -2.9916 -2.9916 -2.3632 -2.3632 3.1656 3.1656 3.6605 3.6605 4.4408 4.4408 4.6097 4.6097 4.7527 4.7527 5.0311 5.0311 5.3174 5.3174 6.1672 6.1672 6.3942 6.3942 6.6149 6.6149 6.7146 6.7146 6.7334 6.7334 6.7963 6.7963 7.0622 7.0622 8.2517 8.2517 8.4987 8.4987 8.6476 8.6476 k = 0.0000 0.0000 0.2850 ( 14260 PWs) bands (ev): -71.8007 -71.8007 -71.7993 -71.7993 -41.5847 -41.5847 -41.5724 -41.5724 -40.4436 -40.4436 -40.4233 -40.4233 -40.2989 -40.2989 -40.2965 -40.2965 -24.4745 -24.4745 -24.4590 -24.4590 -8.2006 -8.2006 -8.1403 -8.1403 -7.9434 -7.9434 -7.9333 -7.9333 -7.8781 -7.8781 -7.8735 -7.8735 -2.9916 -2.9916 -2.3632 -2.3632 3.1656 3.1656 3.6605 3.6605 4.4408 4.4408 4.6097 4.6097 4.7527 4.7527 5.0311 5.0311 5.3174 5.3174 6.1672 6.1672 6.3942 6.3942 6.6149 6.6149 6.7146 6.7146 6.7334 6.7334 6.7963 6.7963 7.0622 7.0622 8.2517 8.2517 8.4987 8.4987 8.6476 8.6476 k = 0.0000 0.0147 0.2850 ( 14244 PWs) bands (ev): -71.8007 -71.8007 -71.7982 -71.7982 -41.5846 -41.5846 -41.5724 -41.5724 -40.4435 -40.4435 -40.4233 -40.4233 -40.2989 -40.2989 -40.2966 -40.2966 -24.4745 -24.4745 -24.4590 -24.4590 -8.2006 -8.2006 -8.1404 -8.1404 -7.9434 -7.9434 -7.9333 -7.9333 -7.8782 -7.8782 -7.8734 -7.8734 -2.9907 -2.9907 -2.3627 -2.3627 3.1663 3.1663 3.6618 3.6618 4.4402 4.4402 4.6091 4.6091 4.7506 4.7506 5.0285 5.0285 5.3181 5.3181 6.1715 6.1715 6.3940 6.3940 6.6142 6.6142 6.7114 6.7114 6.7383 6.7383 6.7949 6.7949 7.0709 7.0709 8.2414 8.2414 8.4758 8.4758 8.6798 8.6798 k = 0.0000 0.0294 0.2850 ( 14244 PWs) bands (ev): -71.8001 -71.8001 -71.7988 -71.7988 -41.5846 -41.5846 -41.5724 -41.5724 -40.4435 -40.4435 -40.4233 -40.4233 -40.2989 -40.2989 -40.2965 -40.2965 -24.4745 -24.4745 -24.4591 -24.4591 -8.2007 -8.2007 -8.1407 -8.1407 -7.9437 -7.9437 -7.9333 -7.9333 -7.8784 -7.8784 -7.8733 -7.8733 -2.9880 -2.9880 -2.3614 -2.3614 3.1684 3.1684 3.6606 3.6606 4.4371 4.4371 4.6060 4.6060 4.7447 4.7447 5.0213 5.0213 5.3206 5.3206 6.1733 6.1733 6.3940 6.3940 6.6161 6.6161 6.7007 6.7007 6.7463 6.7463 6.7929 6.7929 7.0718 7.0718 8.2086 8.2086 8.4371 8.4371 8.7449 8.7449 k = 0.0000 0.0441 0.2850 ( 14244 PWs) bands (ev): -71.8001 -71.8001 -71.7988 -71.7988 -41.5846 -41.5846 -41.5724 -41.5724 -40.4435 -40.4435 -40.4234 -40.4234 -40.2989 -40.2989 -40.2965 -40.2965 -24.4744 -24.4744 -24.4591 -24.4591 -8.2008 -8.2008 -8.1412 -8.1412 -7.9442 -7.9442 -7.9333 -7.9333 -7.8788 -7.8788 -7.8731 -7.8731 -2.9836 -2.9836 -2.3591 -2.3591 3.1718 3.1718 3.6599 3.6599 4.4331 4.4331 4.6024 4.6024 4.7343 4.7343 5.0096 5.0096 5.3242 5.3242 6.1749 6.1749 6.3926 6.3926 6.6115 6.6115 6.6879 6.6879 6.7516 6.7516 6.7907 6.7907 7.0788 7.0788 8.1582 8.1582 8.4065 8.4065 8.8188 8.8188 k = 0.0000 0.0588 0.2850 ( 14242 PWs) bands (ev): -71.7999 -71.7999 -71.7988 -71.7988 -41.5845 -41.5845 -41.5725 -41.5725 -40.4434 -40.4434 -40.4235 -40.4235 -40.2989 -40.2989 -40.2966 -40.2966 -24.4743 -24.4743 -24.4591 -24.4591 -8.2010 -8.2010 -8.1418 -8.1418 -7.9448 -7.9448 -7.9332 -7.9332 -7.8793 -7.8793 -7.8727 -7.8727 -2.9774 -2.9774 -2.3560 -2.3560 3.1765 3.1765 3.6583 3.6583 4.4259 4.4259 4.5964 4.5964 4.7195 4.7195 4.9949 4.9949 5.3289 5.3289 6.1816 6.1816 6.3912 6.3912 6.6075 6.6075 6.6731 6.6731 6.7490 6.7490 6.7956 6.7956 7.0885 7.0885 8.0934 8.0934 8.3832 8.3832 8.8929 8.8929 k = 0.0000 0.0735 0.2850 ( 14242 PWs) bands (ev): -71.7994 -71.7994 -71.7993 -71.7993 -41.5845 -41.5845 -41.5725 -41.5725 -40.4433 -40.4433 -40.4235 -40.4235 -40.2989 -40.2989 -40.2966 -40.2966 -24.4742 -24.4742 -24.4591 -24.4591 -8.2012 -8.2012 -8.1427 -8.1427 -7.9456 -7.9456 -7.9331 -7.9331 -7.8801 -7.8801 -7.8723 -7.8723 -2.9695 -2.9695 -2.3521 -2.3521 3.1821 3.1821 3.6551 3.6551 4.4160 4.4160 4.5893 4.5893 4.7006 4.7006 4.9787 4.9787 5.3371 5.3371 6.1856 6.1856 6.3880 6.3880 6.6039 6.6039 6.6569 6.6569 6.7405 6.7405 6.8077 6.8077 7.1007 7.1007 8.0219 8.0219 8.3644 8.3644 8.9647 8.9647 k = 0.0000 0.0882 0.2850 ( 14244 PWs) bands (ev): -71.7995 -71.7995 -71.7993 -71.7993 -41.5844 -41.5844 -41.5726 -41.5726 -40.4432 -40.4432 -40.4237 -40.4237 -40.2989 -40.2989 -40.2966 -40.2966 -24.4741 -24.4741 -24.4592 -24.4592 -8.2015 -8.2015 -8.1437 -8.1437 -7.9465 -7.9465 -7.9329 -7.9329 -7.8810 -7.8810 -7.8718 -7.8718 -2.9599 -2.9599 -2.3474 -2.3474 3.1891 3.1891 3.6501 3.6501 4.4039 4.4039 4.5822 4.5822 4.6776 4.6776 4.9614 4.9614 5.3449 5.3449 6.1919 6.1919 6.3864 6.3864 6.5932 6.5932 6.6383 6.6383 6.7260 6.7260 6.8236 6.8236 7.1157 7.1157 7.9497 7.9497 8.3477 8.3477 9.0333 9.0333 k = 0.0000 0.1029 0.2850 ( 14248 PWs) bands (ev): -71.7996 -71.7996 -71.7995 -71.7995 -41.5843 -41.5843 -41.5727 -41.5727 -40.4431 -40.4431 -40.4238 -40.4238 -40.2989 -40.2989 -40.2966 -40.2966 -24.4739 -24.4739 -24.4592 -24.4592 -8.2019 -8.2019 -8.1449 -8.1449 -7.9476 -7.9476 -7.9327 -7.9327 -7.8820 -7.8820 -7.8712 -7.8712 -2.9487 -2.9487 -2.3420 -2.3420 3.1966 3.1966 3.6435 3.6435 4.3905 4.3905 4.5751 4.5751 4.6518 4.6518 4.9443 4.9443 5.3526 5.3526 6.1957 6.1957 6.3829 6.3829 6.5815 6.5815 6.6189 6.6189 6.7081 6.7081 6.8428 6.8428 7.1297 7.1297 7.8810 7.8810 8.3309 8.3309 9.0984 9.0984 k = 0.0000 0.1176 0.2850 ( 14230 PWs) bands (ev): -71.7990 -71.7990 -71.7988 -71.7988 -41.5842 -41.5842 -41.5728 -41.5728 -40.4429 -40.4429 -40.4240 -40.4240 -40.2989 -40.2989 -40.2966 -40.2966 -24.4737 -24.4737 -24.4593 -24.4593 -8.2022 -8.2022 -8.1462 -8.1462 -7.9488 -7.9488 -7.9325 -7.9325 -7.8831 -7.8831 -7.8706 -7.8706 -2.9358 -2.9358 -2.3360 -2.3360 3.2047 3.2047 3.6349 3.6349 4.3744 4.3744 4.5671 4.5671 4.6259 4.6259 4.9283 4.9283 5.3657 5.3657 6.2015 6.2015 6.3799 6.3799 6.5680 6.5680 6.6013 6.6013 6.6915 6.6915 6.8667 6.8667 7.1505 7.1505 7.8145 7.8145 8.3147 8.3147 9.1590 9.1590 k = 0.0000 0.1324 0.2850 ( 14226 PWs) bands (ev): -71.7989 -71.7989 -71.7986 -71.7986 -41.5841 -41.5841 -41.5729 -41.5729 -40.4427 -40.4427 -40.4242 -40.4242 -40.2988 -40.2988 -40.2966 -40.2966 -24.4735 -24.4735 -24.4594 -24.4594 -8.2027 -8.2027 -8.1478 -8.1478 -7.9500 -7.9500 -7.9323 -7.9323 -7.8843 -7.8843 -7.8699 -7.8699 -2.9214 -2.9214 -2.3294 -2.3294 3.2129 3.2129 3.6224 3.6224 4.3561 4.3561 4.5553 4.5553 4.6032 4.6032 4.9130 4.9130 5.3771 5.3771 6.2033 6.2033 6.3756 6.3756 6.5523 6.5523 6.5841 6.5841 6.6721 6.6721 6.8916 6.8916 7.1691 7.1691 7.7516 7.7516 8.2977 8.2977 9.2152 9.2152 k = 0.0000 0.1471 0.2850 ( 14230 PWs) bands (ev): -71.7992 -71.7992 -71.7986 -71.7986 -41.5840 -41.5840 -41.5730 -41.5730 -40.4425 -40.4425 -40.4244 -40.4244 -40.2988 -40.2988 -40.2967 -40.2967 -24.4733 -24.4733 -24.4594 -24.4594 -8.2031 -8.2031 -8.1494 -8.1494 -7.9513 -7.9513 -7.9322 -7.9322 -7.8855 -7.8855 -7.8693 -7.8693 -2.9055 -2.9055 -2.3224 -2.3224 3.2209 3.2209 3.6067 3.6067 4.3347 4.3347 4.5360 4.5360 4.5880 4.5880 4.8984 4.8984 5.3877 5.3877 6.2052 6.2052 6.3696 6.3696 6.5341 6.5341 6.5676 6.5676 6.6511 6.6511 6.9200 6.9200 7.1877 7.1877 7.6910 7.6910 8.2775 8.2775 9.2658 9.2658 k = 0.0000 0.1618 0.2850 ( 14224 PWs) bands (ev): -71.7989 -71.7989 -71.7984 -71.7984 -41.5839 -41.5839 -41.5731 -41.5731 -40.4423 -40.4423 -40.4246 -40.4246 -40.2988 -40.2988 -40.2967 -40.2967 -24.4731 -24.4731 -24.4595 -24.4595 -8.2037 -8.2037 -8.1513 -8.1513 -7.9527 -7.9527 -7.9321 -7.9321 -7.8867 -7.8867 -7.8686 -7.8686 -2.8881 -2.8881 -2.3150 -2.3150 3.2283 3.2283 3.5863 3.5863 4.3128 4.3128 4.5131 4.5131 4.5802 4.5802 4.8846 4.8846 5.4011 5.4011 6.2047 6.2047 6.3633 6.3633 6.5169 6.5169 6.5531 6.5531 6.6303 6.6303 6.9500 6.9500 7.2097 7.2097 7.6358 7.6358 8.2575 8.2575 9.3071 9.3071 k = 0.0000 0.1765 0.2850 ( 14224 PWs) bands (ev): -71.7989 -71.7989 -71.7984 -71.7984 -41.5837 -41.5837 -41.5733 -41.5733 -40.4421 -40.4421 -40.4248 -40.4248 -40.2988 -40.2988 -40.2967 -40.2967 -24.4728 -24.4728 -24.4596 -24.4596 -8.2042 -8.2042 -8.1532 -8.1532 -7.9540 -7.9540 -7.9320 -7.9320 -7.8878 -7.8878 -7.8680 -7.8680 -2.8693 -2.8693 -2.3073 -2.3073 3.2345 3.2345 3.5616 3.5616 4.2909 4.2909 4.4902 4.4902 4.5762 4.5762 4.8712 4.8712 5.4152 5.4152 6.2022 6.2022 6.3561 6.3561 6.4991 6.4991 6.5382 6.5382 6.6068 6.6068 6.9822 6.9822 7.2277 7.2277 7.5856 7.5856 8.2363 8.2363 9.2927 9.2927 k = 0.0000 0.1912 0.2850 ( 14234 PWs) bands (ev): -71.7997 -71.7997 -71.7982 -71.7982 -41.5836 -41.5836 -41.5735 -41.5735 -40.4418 -40.4418 -40.4251 -40.4251 -40.2987 -40.2987 -40.2968 -40.2968 -24.4725 -24.4725 -24.4598 -24.4598 -8.2048 -8.2048 -8.1553 -8.1553 -7.9554 -7.9554 -7.9321 -7.9321 -7.8889 -7.8889 -7.8675 -7.8675 -2.8493 -2.8493 -2.2995 -2.2995 3.2386 3.2386 3.5319 3.5319 4.2695 4.2695 4.4705 4.4705 4.5755 4.5755 4.8583 4.8583 5.4306 5.4306 6.1933 6.1933 6.3452 6.3452 6.4800 6.4800 6.5221 6.5221 6.5823 6.5823 7.0134 7.0134 7.2453 7.2453 7.5398 7.5398 8.2159 8.2159 9.2303 9.2303 k = 0.0000 0.2059 0.2850 ( 14230 PWs) bands (ev): -71.8002 -71.8002 -71.7974 -71.7974 -41.5834 -41.5834 -41.5736 -41.5736 -40.4415 -40.4415 -40.4254 -40.4254 -40.2987 -40.2987 -40.2968 -40.2968 -24.4722 -24.4722 -24.4599 -24.4599 -8.2054 -8.2054 -8.1575 -8.1575 -7.9567 -7.9567 -7.9322 -7.9322 -7.8898 -7.8898 -7.8670 -7.8670 -2.8280 -2.8280 -2.2917 -2.2917 3.2409 3.2409 3.4983 3.4983 4.2493 4.2493 4.4547 4.4547 4.5754 4.5754 4.8464 4.8464 5.4468 5.4468 6.1864 6.1864 6.3358 6.3358 6.4623 6.4623 6.5037 6.5037 6.5608 6.5608 7.0478 7.0478 7.2711 7.2711 7.4982 7.4982 8.1931 8.1931 9.1557 9.1557 k = 0.0000 0.2206 0.2850 ( 14222 PWs) bands (ev): -71.8000 -71.8000 -71.7971 -71.7971 -41.5832 -41.5832 -41.5738 -41.5738 -40.4412 -40.4412 -40.4257 -40.4257 -40.2986 -40.2986 -40.2969 -40.2969 -24.4719 -24.4719 -24.4600 -24.4600 -8.2060 -8.2060 -8.1599 -8.1599 -7.9579 -7.9579 -7.9326 -7.9326 -7.8906 -7.8906 -7.8665 -7.8665 -2.8056 -2.8056 -2.2841 -2.2841 3.2404 3.2404 3.4606 3.4606 4.2316 4.2316 4.4440 4.4440 4.5763 4.5763 4.8349 4.8349 5.4639 5.4639 6.1791 6.1791 6.3262 6.3262 6.4474 6.4474 6.4869 6.4869 6.5379 6.5379 7.0851 7.0851 7.2929 7.2929 7.4611 7.4611 8.1692 8.1692 9.0747 9.0747 k = 0.0000 0.2353 0.2850 ( 14232 PWs) bands (ev): -71.7996 -71.7996 -71.7981 -71.7981 -41.5831 -41.5831 -41.5740 -41.5740 -40.4410 -40.4410 -40.4260 -40.4260 -40.2986 -40.2986 -40.2969 -40.2969 -24.4716 -24.4716 -24.4601 -24.4601 -8.2066 -8.2066 -8.1623 -8.1623 -7.9590 -7.9590 -7.9331 -7.9331 -7.8911 -7.8911 -7.8662 -7.8662 -2.7822 -2.7822 -2.2767 -2.2767 3.2362 3.2362 3.4194 3.4194 4.2166 4.2166 4.4360 4.4360 4.5772 4.5772 4.8230 4.8230 5.4845 5.4845 6.1695 6.1695 6.3142 6.3142 6.4318 6.4318 6.4699 6.4699 6.5119 6.5119 7.1207 7.1207 7.3102 7.3102 7.4268 7.4268 8.1434 8.1434 8.9903 8.9903 k = 0.0000 0.2500 0.2850 ( 14236 PWs) bands (ev): -71.7998 -71.7998 -71.7982 -71.7982 -41.5829 -41.5829 -41.5742 -41.5742 -40.4407 -40.4407 -40.4264 -40.4264 -40.2986 -40.2986 -40.2969 -40.2969 -24.4713 -24.4713 -24.4603 -24.4603 -8.2072 -8.2072 -8.1648 -8.1648 -7.9601 -7.9601 -7.9338 -7.9338 -7.8914 -7.8914 -7.8659 -7.8659 -2.7578 -2.7578 -2.2697 -2.2697 3.2282 3.2282 3.3757 3.3757 4.2065 4.2065 4.4324 4.4324 4.5799 4.5799 4.8116 4.8116 5.5038 5.5038 6.1585 6.1585 6.3021 6.3021 6.4168 6.4168 6.4508 6.4508 6.4864 6.4864 7.1567 7.1567 7.3308 7.3308 7.3984 7.3984 8.1187 8.1187 8.9050 8.9050 k = 0.0000 0.2647 0.2850 ( 14220 PWs) bands (ev): -71.7989 -71.7989 -71.7980 -71.7980 -41.5827 -41.5827 -41.5744 -41.5744 -40.4403 -40.4403 -40.4267 -40.4267 -40.2985 -40.2985 -40.2970 -40.2970 -24.4709 -24.4709 -24.4605 -24.4605 -8.2078 -8.2078 -8.1673 -8.1673 -7.9610 -7.9610 -7.9347 -7.9347 -7.8916 -7.8916 -7.8657 -7.8657 -2.7326 -2.7326 -2.2632 -2.2632 3.2159 3.2159 3.3309 3.3309 4.2006 4.2006 4.4326 4.4326 4.5838 4.5838 4.8009 4.8009 5.5274 5.5274 6.1507 6.1507 6.2882 6.2882 6.4057 6.4057 6.4368 6.4368 6.4635 6.4635 7.1942 7.1942 7.3543 7.3543 7.3728 7.3728 8.0939 8.0939 8.8209 8.8209 k = 0.0000 0.2794 0.2850 ( 14232 PWs) bands (ev): -71.7989 -71.7989 -71.7989 -71.7989 -41.5825 -41.5825 -41.5746 -41.5746 -40.4400 -40.4400 -40.4270 -40.4270 -40.2985 -40.2985 -40.2970 -40.2970 -24.4705 -24.4705 -24.4606 -24.4606 -8.2084 -8.2084 -8.1700 -8.1700 -7.9619 -7.9619 -7.9357 -7.9357 -7.8914 -7.8914 -7.8656 -7.8656 -2.7068 -2.7068 -2.2575 -2.2575 3.1992 3.1992 3.2856 3.2856 4.1997 4.1997 4.4346 4.4346 4.5881 4.5881 4.7897 4.7897 5.5496 5.5496 6.1391 6.1391 6.2733 6.2733 6.3905 6.3905 6.4166 6.4166 6.4369 6.4369 7.2290 7.2290 7.3507 7.3507 7.3721 7.3721 8.0684 8.0684 8.7395 8.7395 k = 0.0000 0.2941 0.2850 ( 14230 PWs) bands (ev): -71.7990 -71.7990 -71.7987 -71.7987 -41.5823 -41.5823 -41.5748 -41.5748 -40.4397 -40.4397 -40.4274 -40.4274 -40.2985 -40.2985 -40.2970 -40.2970 -24.4702 -24.4702 -24.4608 -24.4608 -8.2089 -8.2089 -8.1726 -8.1726 -7.9626 -7.9626 -7.9369 -7.9369 -7.8911 -7.8911 -7.8656 -7.8656 -2.6804 -2.6804 -2.2526 -2.2526 3.1779 3.1779 3.2415 3.2415 4.2040 4.2040 4.4393 4.4393 4.5934 4.5934 4.7799 4.7799 5.5726 5.5726 6.1278 6.1278 6.2586 6.2586 6.3753 6.3753 6.3968 6.3968 6.4143 6.4143 7.2631 7.2631 7.3328 7.3328 7.3955 7.3955 8.0429 8.0429 8.6626 8.6626 k = 0.0000 0.3088 0.2850 ( 14218 PWs) bands (ev): -71.7985 -71.7985 -71.7983 -71.7983 -41.5820 -41.5820 -41.5751 -41.5751 -40.4393 -40.4393 -40.4278 -40.4278 -40.2984 -40.2984 -40.2971 -40.2971 -24.4698 -24.4698 -24.4610 -24.4610 -8.2093 -8.2093 -8.1753 -8.1753 -7.9631 -7.9631 -7.9383 -7.9383 -7.8906 -7.8906 -7.8657 -7.8657 -2.6536 -2.6536 -2.2487 -2.2487 3.1519 3.1519 3.2001 3.2001 4.2134 4.2134 4.4456 4.4456 4.5998 4.5998 4.7701 4.7701 5.5971 5.5971 6.1190 6.1190 6.2452 6.2452 6.3608 6.3608 6.3744 6.3744 6.3945 6.3945 7.2948 7.2948 7.3212 7.3212 7.4190 7.4190 8.0178 8.0178 8.5915 8.5915 k = 0.0000 0.3235 0.2850 ( 14204 PWs) bands (ev): -71.7982 -71.7982 -71.7977 -71.7977 -41.5818 -41.5818 -41.5753 -41.5753 -40.4389 -40.4389 -40.4282 -40.4282 -40.2984 -40.2984 -40.2971 -40.2971 -24.4694 -24.4694 -24.4612 -24.4612 -8.2097 -8.2097 -8.1780 -8.1780 -7.9636 -7.9636 -7.9397 -7.9397 -7.8899 -7.8899 -7.8659 -7.8659 -2.6265 -2.6265 -2.2459 -2.2459 3.1210 3.1210 3.1625 3.1625 4.2272 4.2272 4.4533 4.4533 4.6071 4.6071 4.7606 4.7606 5.6222 5.6222 6.1120 6.1120 6.2320 6.2320 6.3464 6.3464 6.3485 6.3485 6.3776 6.3776 7.3048 7.3048 7.3334 7.3334 7.4410 7.4410 7.9928 7.9928 8.5277 8.5277 k = 0.0000 0.3382 0.2850 ( 14192 PWs) bands (ev): -71.7977 -71.7977 -71.7974 -71.7974 -41.5815 -41.5815 -41.5755 -41.5755 -40.4384 -40.4384 -40.4286 -40.4286 -40.2983 -40.2983 -40.2972 -40.2972 -24.4690 -24.4690 -24.4615 -24.4615 -8.2100 -8.2100 -8.1807 -8.1807 -7.9639 -7.9639 -7.9413 -7.9413 -7.8890 -7.8890 -7.8662 -7.8662 -2.5992 -2.5992 -2.2443 -2.2443 3.0867 3.0867 3.1286 3.1286 4.2443 4.2443 4.4606 4.4606 4.6149 4.6149 4.7519 4.7519 5.6487 5.6487 6.1047 6.1047 6.2180 6.2180 6.3227 6.3227 6.3310 6.3310 6.3615 6.3615 7.2982 7.2982 7.3594 7.3594 7.4650 7.4650 7.9683 7.9683 8.4723 8.4723 k = 0.0000 0.3529 0.2850 ( 14196 PWs) bands (ev): -71.7984 -71.7984 -71.7970 -71.7970 -41.5813 -41.5813 -41.5758 -41.5758 -40.4381 -40.4381 -40.4290 -40.4290 -40.2983 -40.2983 -40.2972 -40.2972 -24.4686 -24.4686 -24.4617 -24.4617 -8.2102 -8.2102 -8.1833 -8.1833 -7.9640 -7.9640 -7.9429 -7.9429 -7.8880 -7.8880 -7.8666 -7.8666 -2.5720 -2.5720 -2.2442 -2.2442 3.0517 3.0517 3.0968 3.0968 4.2642 4.2642 4.4663 4.4663 4.6224 4.6224 4.7432 4.7432 5.6762 5.6762 6.0960 6.0960 6.2034 6.2034 6.2945 6.2945 6.3145 6.3145 6.3446 6.3446 7.2928 7.2928 7.3792 7.3792 7.4864 7.4864 7.9444 7.9444 8.4265 8.4265 k = 0.0000 0.3676 0.2850 ( 14200 PWs) bands (ev): -71.7984 -71.7984 -71.7972 -71.7972 -41.5810 -41.5810 -41.5761 -41.5761 -40.4377 -40.4377 -40.4294 -40.4294 -40.2982 -40.2982 -40.2972 -40.2972 -24.4682 -24.4682 -24.4620 -24.4620 -8.2103 -8.2103 -8.1859 -8.1859 -7.9640 -7.9640 -7.9445 -7.9445 -7.8869 -7.8869 -7.8671 -7.8671 -2.5450 -2.5450 -2.2456 -2.2456 3.0182 3.0182 3.0664 3.0664 4.2864 4.2864 4.4727 4.4727 4.6303 4.6303 4.7349 4.7349 5.7026 5.7026 6.0877 6.0877 6.1887 6.1887 6.2655 6.2655 6.2985 6.2985 6.3281 6.3281 7.2897 7.2897 7.3960 7.3960 7.5078 7.5078 7.9199 7.9199 8.3920 8.3920 k = 0.0000 0.3824 0.2850 ( 14184 PWs) bands (ev): -71.7976 -71.7976 -71.7970 -71.7970 -41.5808 -41.5808 -41.5763 -41.5763 -40.4372 -40.4372 -40.4298 -40.4298 -40.2982 -40.2982 -40.2973 -40.2973 -24.4678 -24.4678 -24.4622 -24.4622 -8.2103 -8.2103 -8.1884 -8.1884 -7.9639 -7.9639 -7.9462 -7.9462 -7.8857 -7.8857 -7.8677 -7.8677 -2.5182 -2.5182 -2.2485 -2.2485 2.9875 2.9875 3.0371 3.0371 4.3099 4.3099 4.4788 4.4788 4.6386 4.6386 4.7283 4.7283 5.7313 5.7313 6.0819 6.0819 6.1748 6.1748 6.2411 6.2411 6.2857 6.2857 6.3140 6.3140 7.2889 7.2889 7.4083 7.4083 7.5331 7.5331 7.8965 7.8965 8.3697 8.3697 k = 0.0000 0.3971 0.2850 ( 14182 PWs) bands (ev): -71.7976 -71.7976 -71.7968 -71.7968 -41.5805 -41.5805 -41.5766 -41.5766 -40.4368 -40.4368 -40.4303 -40.4303 -40.2981 -40.2981 -40.2974 -40.2974 -24.4674 -24.4674 -24.4625 -24.4625 -8.2101 -8.2101 -8.1908 -8.1908 -7.9636 -7.9636 -7.9478 -7.9478 -7.8845 -7.8845 -7.8684 -7.8684 -2.4920 -2.4920 -2.2532 -2.2532 2.9602 2.9602 3.0092 3.0092 4.3345 4.3345 4.4837 4.4837 4.6462 4.6462 4.7208 4.7208 5.7601 5.7601 6.0783 6.0783 6.1605 6.1605 6.2119 6.2119 6.2716 6.2716 6.2994 6.2994 7.2914 7.2914 7.4156 7.4156 7.5520 7.5520 7.8725 7.8725 8.3598 8.3598 k = 0.0000 0.4118 0.2850 ( 14170 PWs) bands (ev): -71.7975 -71.7975 -71.7961 -71.7961 -41.5802 -41.5802 -41.5768 -41.5768 -40.4363 -40.4363 -40.4307 -40.4307 -40.2981 -40.2981 -40.2974 -40.2974 -24.4670 -24.4670 -24.4628 -24.4628 -8.2098 -8.2098 -8.1932 -8.1932 -7.9632 -7.9632 -7.9495 -7.9495 -7.8832 -7.8832 -7.8692 -7.8692 -2.4664 -2.4664 -2.2595 -2.2595 2.9368 2.9368 2.9831 2.9831 4.3586 4.3586 4.4875 4.4875 4.6536 4.6536 4.7152 4.7152 5.7895 5.7895 6.0755 6.0755 6.1446 6.1446 6.1877 6.1877 6.2616 6.2616 6.2872 6.2872 7.2944 7.2944 7.4171 7.4171 7.5745 7.5745 7.8496 7.8496 8.3624 8.3624 k = 0.0000 0.4265 0.2850 ( 14170 PWs) bands (ev): -71.7974 -71.7974 -71.7962 -71.7962 -41.5800 -41.5800 -41.5771 -41.5771 -40.4358 -40.4358 -40.4312 -40.4312 -40.2980 -40.2980 -40.2974 -40.2974 -24.4666 -24.4666 -24.4631 -24.4631 -8.2093 -8.2093 -8.1954 -8.1954 -7.9626 -7.9626 -7.9511 -7.9511 -7.8819 -7.8819 -7.8700 -7.8700 -2.4417 -2.4417 -2.2677 -2.2677 2.9175 2.9175 2.9592 2.9592 4.3818 4.3818 4.4894 4.4894 4.6597 4.6597 4.7101 4.7101 5.8185 5.8185 6.0675 6.0675 6.1289 6.1289 6.1668 6.1668 6.2516 6.2516 6.2740 6.2740 7.2996 7.2996 7.4124 7.4124 7.5972 7.5972 7.8251 7.8251 8.3762 8.3762 k = 0.0000 0.4412 0.2850 ( 14162 PWs) bands (ev): -71.7970 -71.7970 -71.7961 -71.7961 -41.5797 -41.5797 -41.5774 -41.5774 -40.4354 -40.4354 -40.4316 -40.4316 -40.2980 -40.2980 -40.2975 -40.2975 -24.4663 -24.4663 -24.4634 -24.4634 -8.2087 -8.2087 -8.1975 -8.1975 -7.9619 -7.9619 -7.9526 -7.9526 -7.8806 -7.8806 -7.8710 -7.8710 -2.4179 -2.4179 -2.2776 -2.2776 2.9027 2.9027 2.9381 2.9381 4.4040 4.4040 4.4898 4.4898 4.6656 4.6656 4.7054 4.7054 5.8477 5.8477 6.0587 6.0587 6.1160 6.1160 6.1503 6.1503 6.2428 6.2428 6.2629 6.2629 7.3076 7.3076 7.4046 7.4046 7.6202 7.6202 7.8015 7.8015 8.4007 8.4007 k = 0.0000 0.4559 0.2850 ( 14162 PWs) bands (ev): -71.7969 -71.7969 -71.7961 -71.7961 -41.5794 -41.5794 -41.5777 -41.5777 -40.4349 -40.4349 -40.4321 -40.4321 -40.2979 -40.2979 -40.2976 -40.2976 -24.4659 -24.4659 -24.4637 -24.4637 -8.2079 -8.2079 -8.1995 -8.1995 -7.9611 -7.9611 -7.9541 -7.9541 -7.8793 -7.8793 -7.8720 -7.8720 -2.3952 -2.3952 -2.2894 -2.2894 2.8922 2.8922 2.9200 2.9200 4.4238 4.4238 4.4881 4.4881 4.6711 4.6711 4.7004 4.7004 5.8789 5.8789 6.0416 6.0416 6.1055 6.1055 6.1362 6.1362 6.2378 6.2378 6.2528 6.2528 7.3162 7.3162 7.3930 7.3930 7.6415 7.6415 7.7786 7.7786 8.4339 8.4339 k = 0.0000 0.4706 0.2850 ( 14174 PWs) bands (ev): -71.7972 -71.7972 -71.7966 -71.7966 -41.5791 -41.5791 -41.5780 -41.5780 -40.4345 -40.4345 -40.4326 -40.4326 -40.2979 -40.2979 -40.2976 -40.2976 -24.4655 -24.4655 -24.4641 -24.4641 -8.2069 -8.2069 -8.2013 -8.2013 -7.9602 -7.9602 -7.9555 -7.9555 -7.8780 -7.8780 -7.8731 -7.8731 -2.3738 -2.3738 -2.3030 -2.3030 2.8862 2.8862 2.9053 2.9053 4.4412 4.4412 4.4840 4.4840 4.6759 4.6759 4.6952 4.6952 5.9076 5.9076 6.0175 6.0175 6.1001 6.1001 6.1237 6.1237 6.2328 6.2328 6.2433 6.2433 7.3268 7.3268 7.3794 7.3794 7.6624 7.6624 7.7546 7.7546 8.4746 8.4746 k = 0.0000 0.4853 0.2850 ( 14168 PWs) bands (ev): -71.7972 -71.7972 -71.7963 -71.7963 -41.5788 -41.5788 -41.5782 -41.5782 -40.4340 -40.4340 -40.4330 -40.4330 -40.2978 -40.2978 -40.2977 -40.2977 -24.4651 -24.4651 -24.4644 -24.4644 -8.2058 -8.2058 -8.2029 -8.2029 -7.9592 -7.9592 -7.9568 -7.9568 -7.8767 -7.8767 -7.8742 -7.8742 -2.3538 -2.3538 -2.3182 -2.3182 2.8847 2.8847 2.8944 2.8944 4.4565 4.4565 4.4776 4.4776 4.6814 4.6814 4.6907 4.6907 5.9390 5.9390 5.9923 5.9923 6.1025 6.1025 6.1140 6.1140 6.2315 6.2315 6.2360 6.2360 7.3398 7.3398 7.3657 7.3657 7.6855 7.6855 7.7326 7.7326 8.5223 8.5223 k = 0.0000 0.5000 0.2850 ( 14176 PWs) bands (ev): -71.7970 -71.7970 -71.7970 -71.7970 -41.5785 -41.5785 -41.5785 -41.5785 -40.4335 -40.4335 -40.4335 -40.4335 -40.2978 -40.2978 -40.2978 -40.2978 -24.4648 -24.4648 -24.4648 -24.4648 -8.2044 -8.2044 -8.2044 -8.2044 -7.9580 -7.9580 -7.9580 -7.9580 -7.8754 -7.8754 -7.8754 -7.8754 -2.3352 -2.3352 -2.3352 -2.3352 2.8874 2.8874 2.8874 2.8874 4.4683 4.4683 4.4683 4.4683 4.6858 4.6858 4.6858 4.6858 5.9653 5.9653 5.9653 5.9653 6.1065 6.1065 6.1065 6.1065 6.2311 6.2311 6.2311 6.2311 7.3522 7.3522 7.3522 7.3522 7.7085 7.7085 7.7085 7.7085 8.5751 8.5751 k = 0.0000 0.5000 0.2850 ( 14176 PWs) bands (ev): -71.7970 -71.7970 -71.7970 -71.7970 -41.5785 -41.5785 -41.5785 -41.5785 -40.4335 -40.4335 -40.4335 -40.4335 -40.2978 -40.2978 -40.2978 -40.2978 -24.4648 -24.4648 -24.4648 -24.4648 -8.2044 -8.2044 -8.2044 -8.2044 -7.9580 -7.9580 -7.9580 -7.9580 -7.8754 -7.8754 -7.8754 -7.8754 -2.3352 -2.3352 -2.3352 -2.3352 2.8874 2.8874 2.8874 2.8874 4.4683 4.4683 4.4683 4.4683 4.6858 4.6858 4.6858 4.6858 5.9653 5.9653 5.9653 5.9653 6.1065 6.1065 6.1065 6.1065 6.2311 6.2311 6.2311 6.2311 7.3522 7.3522 7.3522 7.3522 7.7085 7.7085 7.7085 7.7085 8.5751 8.5751 k = 0.0147 0.5000 0.2850 ( 14180 PWs) bands (ev): -71.7971 -71.7971 -71.7971 -71.7971 -41.5785 -41.5785 -41.5785 -41.5785 -40.4335 -40.4335 -40.4335 -40.4335 -40.2978 -40.2978 -40.2978 -40.2978 -24.4648 -24.4648 -24.4648 -24.4648 -8.2046 -8.2046 -8.2043 -8.2043 -7.9593 -7.9593 -7.9568 -7.9568 -7.8766 -7.8766 -7.8744 -7.8744 -2.3349 -2.3349 -2.3348 -2.3348 2.8857 2.8857 2.8898 2.8898 4.4574 4.4574 4.4781 4.4781 4.6775 4.6775 4.6924 4.6924 5.9603 5.9603 5.9648 5.9648 6.1034 6.1034 6.1118 6.1118 6.2307 6.2307 6.2328 6.2328 7.3426 7.3426 7.3520 7.3520 7.7007 7.7007 7.7142 7.7142 8.5765 8.5765 k = 0.0294 0.5000 0.2850 ( 14172 PWs) bands (ev): -71.7969 -71.7969 -71.7969 -71.7969 -41.5785 -41.5785 -41.5785 -41.5785 -40.4335 -40.4335 -40.4335 -40.4335 -40.2977 -40.2977 -40.2977 -40.2977 -24.4647 -24.4647 -24.4647 -24.4647 -8.2047 -8.2047 -8.2041 -8.2041 -7.9606 -7.9606 -7.9556 -7.9556 -7.8778 -7.8778 -7.8735 -7.8735 -2.3338 -2.3338 -2.3336 -2.3336 2.8847 2.8847 2.8929 2.8929 4.4463 4.4463 4.4876 4.4876 4.6686 4.6686 4.6982 4.6982 5.9529 5.9529 5.9608 5.9608 6.1044 6.1044 6.1202 6.1202 6.2325 6.2325 6.2369 6.2369 7.3256 7.3256 7.3431 7.3431 7.6940 7.6940 7.7195 7.7195 8.5826 8.5826 k = 0.0441 0.5000 0.2850 ( 14156 PWs) bands (ev): -71.7963 -71.7963 -71.7963 -71.7963 -41.5785 -41.5785 -41.5785 -41.5785 -40.4335 -40.4335 -40.4335 -40.4335 -40.2977 -40.2977 -40.2977 -40.2977 -24.4647 -24.4647 -24.4647 -24.4647 -8.2048 -8.2048 -8.2039 -8.2039 -7.9619 -7.9619 -7.9545 -7.9545 -7.8791 -7.8791 -7.8726 -7.8726 -2.3320 -2.3320 -2.3317 -2.3317 2.8844 2.8844 2.8967 2.8967 4.4348 4.4348 4.4970 4.4970 4.6587 4.6587 4.7034 4.7034 5.9441 5.9441 5.9541 5.9541 6.1084 6.1084 6.1302 6.1302 6.2343 6.2343 6.2408 6.2408 7.3030 7.3030 7.3267 7.3267 7.6884 7.6884 7.7233 7.7233 8.5930 8.5930 k = 0.0588 0.5000 0.2850 ( 14160 PWs) bands (ev): -71.7965 -71.7965 -71.7965 -71.7965 -41.5785 -41.5785 -41.5785 -41.5785 -40.4335 -40.4335 -40.4335 -40.4335 -40.2977 -40.2977 -40.2977 -40.2977 -24.4647 -24.4647 -24.4647 -24.4647 -8.2049 -8.2049 -8.2037 -8.2037 -7.9631 -7.9631 -7.9534 -7.9534 -7.8806 -7.8806 -7.8719 -7.8719 -2.3294 -2.3294 -2.3291 -2.3291 2.8847 2.8847 2.9011 2.9011 4.4216 4.4216 4.5051 4.5051 4.6466 4.6466 4.7070 4.7070 5.9328 5.9328 5.9440 5.9440 6.1115 6.1115 6.1377 6.1377 6.2358 6.2358 6.2441 6.2441 7.2725 7.2725 7.3000 7.3000 7.6814 7.6814 7.7225 7.7225 8.6070 8.6070 k = 0.0735 0.5000 0.2850 ( 14176 PWs) bands (ev): -71.7970 -71.7970 -71.7970 -71.7970 -41.5786 -41.5786 -41.5785 -41.5785 -40.4335 -40.4335 -40.4335 -40.4335 -40.2977 -40.2977 -40.2977 -40.2977 -24.4647 -24.4647 -24.4647 -24.4647 -8.2049 -8.2049 -8.2035 -8.2035 -7.9644 -7.9644 -7.9523 -7.9523 -7.8820 -7.8820 -7.8714 -7.8714 -2.3262 -2.3262 -2.3258 -2.3258 2.8854 2.8854 2.9060 2.9060 4.4066 4.4066 4.5133 4.5133 4.6324 4.6324 4.7104 4.7104 5.9172 5.9172 5.9297 5.9297 6.1141 6.1141 6.1443 6.1443 6.2376 6.2376 6.2471 6.2471 7.2392 7.2392 7.2684 7.2684 7.6711 7.6711 7.7156 7.7156 8.6240 8.6240 k = 0.0882 0.5000 0.2850 ( 14192 PWs) bands (ev): -71.7976 -71.7976 -71.7976 -71.7976 -41.5786 -41.5786 -41.5786 -41.5786 -40.4336 -40.4336 -40.4336 -40.4336 -40.2977 -40.2977 -40.2977 -40.2977 -24.4646 -24.4646 -24.4646 -24.4646 -8.2050 -8.2050 -8.2033 -8.2033 -7.9657 -7.9657 -7.9514 -7.9514 -7.8836 -7.8836 -7.8709 -7.8709 -2.3223 -2.3223 -2.3218 -2.3218 2.8867 2.8867 2.9113 2.9113 4.3911 4.3911 4.5204 4.5204 4.6176 4.6176 4.7126 4.7126 5.9022 5.9022 5.9145 5.9145 6.1163 6.1163 6.1482 6.1482 6.2408 6.2408 6.2506 6.2506 7.2018 7.2018 7.2311 7.2311 7.6611 7.6611 7.7066 7.7066 8.6437 8.6437 k = 0.1029 0.5000 0.2850 ( 14188 PWs) bands (ev): -71.7974 -71.7974 -71.7974 -71.7974 -41.5786 -41.5786 -41.5786 -41.5786 -40.4336 -40.4336 -40.4336 -40.4336 -40.2977 -40.2977 -40.2977 -40.2977 -24.4646 -24.4646 -24.4646 -24.4646 -8.2050 -8.2050 -8.2030 -8.2030 -7.9670 -7.9670 -7.9504 -7.9504 -7.8851 -7.8851 -7.8706 -7.8706 -2.3177 -2.3177 -2.3171 -2.3171 2.8882 2.8882 2.9170 2.9170 4.3747 4.3747 4.5280 4.5280 4.6027 4.6027 4.7163 4.7163 5.8881 5.8881 5.9007 5.9007 6.1194 6.1194 6.1519 6.1519 6.2473 6.2473 6.2561 6.2561 7.1657 7.1657 7.1939 7.1939 7.6496 7.6496 7.6944 7.6944 8.6656 8.6656 k = 0.1176 0.5000 0.2850 ( 14184 PWs) bands (ev): -71.7973 -71.7973 -71.7973 -71.7973 -41.5786 -41.5786 -41.5786 -41.5786 -40.4336 -40.4336 -40.4336 -40.4336 -40.2977 -40.2977 -40.2977 -40.2977 -24.4645 -24.4645 -24.4645 -24.4645 -8.2051 -8.2051 -8.2028 -8.2028 -7.9682 -7.9682 -7.9496 -7.9496 -7.8868 -7.8868 -7.8704 -7.8704 -2.3124 -2.3124 -2.3118 -2.3118 2.8900 2.8900 2.9228 2.9228 4.3580 4.3580 4.5342 4.5342 4.5886 4.5886 4.7199 4.7199 5.8746 5.8746 5.8866 5.8866 6.1197 6.1197 6.1510 6.1510 6.2558 6.2558 6.2627 6.2627 7.1280 7.1280 7.1543 7.1543 7.6381 7.6381 7.6809 7.6809 8.6886 8.6886 k = 0.1324 0.5000 0.2850 ( 14192 PWs) bands (ev): -71.7976 -71.7976 -71.7976 -71.7976 -41.5786 -41.5786 -41.5786 -41.5786 -40.4336 -40.4336 -40.4336 -40.4336 -40.2977 -40.2977 -40.2977 -40.2977 -24.4644 -24.4644 -24.4644 -24.4644 -8.2051 -8.2051 -8.2026 -8.2026 -7.9693 -7.9693 -7.9488 -7.9488 -7.8884 -7.8884 -7.8703 -7.8703 -2.3066 -2.3066 -2.3059 -2.3059 2.8918 2.8918 2.9287 2.9287 4.3399 4.3399 4.5360 4.5360 4.5766 4.5766 4.7226 4.7226 5.8601 5.8601 5.8715 5.8715 6.1180 6.1180 6.1476 6.1476 6.2653 6.2653 6.2698 6.2698 7.0887 7.0887 7.1128 7.1128 7.6225 7.6225 7.6624 7.6624 8.7128 8.7128 k = 0.1471 0.5000 0.2850 ( 14188 PWs) bands (ev): -71.7975 -71.7975 -71.7975 -71.7975 -41.5786 -41.5786 -41.5786 -41.5786 -40.4336 -40.4336 -40.4336 -40.4336 -40.2977 -40.2977 -40.2977 -40.2977 -24.4644 -24.4644 -24.4644 -24.4644 -8.2051 -8.2051 -8.2025 -8.2025 -7.9704 -7.9704 -7.9481 -7.9481 -7.8900 -7.8900 -7.8703 -7.8703 -2.3003 -2.3003 -2.2995 -2.2995 2.8935 2.8935 2.9343 2.9343 4.3219 4.3219 4.5311 4.5311 4.5723 4.5723 4.7265 4.7265 5.8468 5.8468 5.8580 5.8580 6.1135 6.1135 6.1412 6.1412 6.2771 6.2771 6.2787 6.2787 7.0525 7.0525 7.0738 7.0738 7.6063 7.6063 7.6427 7.6427 8.7375 8.7375 k = 0.1618 0.5000 0.2850 ( 14164 PWs) bands (ev): -71.7967 -71.7967 -71.7967 -71.7967 -41.5786 -41.5786 -41.5786 -41.5786 -40.4336 -40.4336 -40.4336 -40.4336 -40.2977 -40.2977 -40.2976 -40.2976 -24.4643 -24.4643 -24.4643 -24.4643 -8.2051 -8.2051 -8.2023 -8.2023 -7.9714 -7.9714 -7.9475 -7.9475 -7.8916 -7.8916 -7.8704 -7.8704 -2.2934 -2.2934 -2.2926 -2.2926 2.8952 2.8952 2.9397 2.9397 4.3043 4.3043 4.5195 4.5195 4.5755 4.5755 4.7309 4.7309 5.8366 5.8366 5.8471 5.8471 6.1093 6.1093 6.1344 6.1344 6.2889 6.2889 6.2903 6.2903 7.0174 7.0174 7.0358 7.0358 7.5918 7.5918 7.6243 7.6243 8.7628 8.7628 k = 0.1765 0.5000 0.2850 ( 14156 PWs) bands (ev): -71.7964 -71.7964 -71.7964 -71.7964 -41.5786 -41.5786 -41.5786 -41.5786 -40.4336 -40.4336 -40.4336 -40.4336 -40.2977 -40.2977 -40.2976 -40.2976 -24.4642 -24.4642 -24.4642 -24.4642 -8.2052 -8.2052 -8.2022 -8.2022 -7.9724 -7.9724 -7.9470 -7.9470 -7.8931 -7.8931 -7.8707 -7.8707 -2.2860 -2.2860 -2.2852 -2.2852 2.8963 2.8963 2.9444 2.9444 4.2865 4.2865 4.5043 4.5043 4.5820 4.5820 4.7360 4.7360 5.8242 5.8242 5.8339 5.8339 6.1020 6.1020 6.1240 6.1240 6.2978 6.2978 6.3024 6.3024 6.9837 6.9837 6.9993 6.9993 7.5734 7.5734 7.6020 7.6020 8.7881 8.7881 k = 0.1912 0.5000 0.2850 ( 14152 PWs) bands (ev): -71.7963 -71.7963 -71.7963 -71.7963 -41.5786 -41.5786 -41.5786 -41.5786 -40.4336 -40.4336 -40.4336 -40.4336 -40.2977 -40.2977 -40.2976 -40.2976 -24.4641 -24.4641 -24.4641 -24.4641 -8.2052 -8.2052 -8.2021 -8.2021 -7.9732 -7.9732 -7.9466 -7.9466 -7.8946 -7.8946 -7.8710 -7.8710 -2.2783 -2.2783 -2.2774 -2.2774 2.8969 2.8969 2.9483 2.9483 4.2691 4.2691 4.4886 4.4886 4.5889 4.5889 4.7408 4.7408 5.8118 5.8118 5.8207 5.8207 6.0933 6.0933 6.1121 6.1121 6.3071 6.3071 6.3148 6.3148 6.9510 6.9510 6.9638 6.9638 7.5526 7.5526 7.5774 7.5774 8.8135 8.8135 k = 0.2059 0.5000 0.2850 ( 14144 PWs) bands (ev): -71.7960 -71.7960 -71.7960 -71.7960 -41.5786 -41.5786 -41.5786 -41.5786 -40.4336 -40.4336 -40.4336 -40.4336 -40.2976 -40.2976 -40.2976 -40.2976 -24.4641 -24.4641 -24.4640 -24.4640 -8.2053 -8.2053 -8.2021 -8.2021 -7.9739 -7.9739 -7.9463 -7.9463 -7.8960 -7.8960 -7.8715 -7.8715 -2.2702 -2.2702 -2.2693 -2.2693 2.8966 2.8966 2.9509 2.9509 4.2530 4.2530 4.4734 4.4734 4.5968 4.5968 4.7466 4.7466 5.7999 5.7999 5.8084 5.8084 6.0817 6.0817 6.0976 6.0976 6.3175 6.3175 6.3283 6.3283 6.9214 6.9214 6.9316 6.9316 7.5301 7.5301 7.5512 7.5512 8.8387 8.8389 k = 0.2206 0.5000 0.2850 ( 14152 PWs) bands (ev): -71.7963 -71.7963 -71.7963 -71.7963 -41.5786 -41.5786 -41.5786 -41.5786 -40.4337 -40.4337 -40.4337 -40.4337 -40.2976 -40.2976 -40.2976 -40.2976 -24.4640 -24.4640 -24.4640 -24.4640 -8.2054 -8.2054 -8.2021 -8.2021 -7.9746 -7.9746 -7.9461 -7.9461 -7.8973 -7.8973 -7.8720 -7.8720 -2.2619 -2.2619 -2.2609 -2.2609 2.8956 2.8956 2.9523 2.9523 4.2382 4.2382 4.4592 4.4592 4.6027 4.6027 4.7504 4.7504 5.7892 5.7892 5.7969 5.7969 6.0690 6.0690 6.0823 6.0823 6.3252 6.3252 6.3386 6.3386 6.8904 6.8904 6.8978 6.8978 7.5054 7.5054 7.5230 7.5230 8.8636 8.8637 k = 0.2353 0.5000 0.2850 ( 14168 PWs) bands (ev): -71.7969 -71.7969 -71.7969 -71.7969 -41.5786 -41.5786 -41.5786 -41.5786 -40.4337 -40.4337 -40.4337 -40.4337 -40.2976 -40.2976 -40.2976 -40.2976 -24.4639 -24.4639 -24.4639 -24.4639 -8.2055 -8.2055 -8.2021 -8.2021 -7.9750 -7.9750 -7.9461 -7.9461 -7.8984 -7.8984 -7.8727 -7.8727 -2.2533 -2.2533 -2.2523 -2.2523 2.8935 2.8935 2.9522 2.9522 4.2254 4.2254 4.4463 4.4463 4.6089 4.6089 4.7547 4.7547 5.7773 5.7773 5.7843 5.7843 6.0540 6.0540 6.0644 6.0644 6.3315 6.3315 6.3476 6.3476 6.8602 6.8602 6.8651 6.8651 7.4812 7.4812 7.4956 7.4956 8.8880 8.8880 k = 0.2500 0.5000 0.2850 ( 14172 PWs) bands (ev): -71.7970 -71.7970 -71.7970 -71.7970 -41.5787 -41.5787 -41.5786 -41.5786 -40.4337 -40.4337 -40.4337 -40.4337 -40.2976 -40.2976 -40.2976 -40.2976 -24.4638 -24.4638 -24.4638 -24.4638 -8.2056 -8.2056 -8.2023 -8.2023 -7.9754 -7.9754 -7.9461 -7.9461 -7.8995 -7.8995 -7.8734 -7.8734 -2.2446 -2.2446 -2.2436 -2.2436 2.8905 2.8905 2.9505 2.9505 4.2152 4.2152 4.4356 4.4356 4.6148 4.6148 4.7589 4.7589 5.7682 5.7682 5.7744 5.7744 6.0386 6.0386 6.0465 6.0465 6.3386 6.3386 6.3572 6.3572 6.8319 6.8319 6.8344 6.8344 7.4580 7.4580 7.4695 7.4695 8.9121 8.9121 k = 0.2647 0.5000 0.2850 ( 14180 PWs) bands (ev): -71.7973 -71.7973 -71.7973 -71.7973 -41.5787 -41.5787 -41.5786 -41.5786 -40.4337 -40.4337 -40.4337 -40.4337 -40.2976 -40.2976 -40.2976 -40.2976 -24.4637 -24.4637 -24.4637 -24.4637 -8.2057 -8.2057 -8.2024 -8.2024 -7.9756 -7.9756 -7.9463 -7.9463 -7.9003 -7.9003 -7.8742 -7.8742 -2.2359 -2.2359 -2.2348 -2.2348 2.8864 2.8864 2.9471 2.9471 4.2077 4.2077 4.4270 4.4270 4.6201 4.6201 4.7627 4.7627 5.7598 5.7598 5.7654 5.7654 6.0219 6.0219 6.0275 6.0275 6.3455 6.3455 6.3663 6.3663 6.8044 6.8044 6.8046 6.8046 7.4338 7.4338 7.4427 7.4427 8.9356 8.9357 k = 0.2794 0.5000 0.2850 ( 14176 PWs) bands (ev): -71.7971 -71.7971 -71.7971 -71.7971 -41.5787 -41.5787 -41.5786 -41.5786 -40.4338 -40.4338 -40.4338 -40.4338 -40.2976 -40.2976 -40.2975 -40.2975 -24.4636 -24.4636 -24.4636 -24.4636 -8.2058 -8.2058 -8.2026 -8.2026 -7.9757 -7.9757 -7.9466 -7.9466 -7.9011 -7.9011 -7.8751 -7.8751 -2.2271 -2.2271 -2.2260 -2.2260 2.8814 2.8814 2.9420 2.9420 4.2033 4.2033 4.4207 4.4207 4.6252 4.6252 4.7664 4.7664 5.7534 5.7534 5.7581 5.7581 6.0063 6.0063 6.0095 6.0095 6.3525 6.3525 6.3753 6.3753 6.7761 6.7761 6.7781 6.7781 7.4125 7.4125 7.4191 7.4191 8.9586 8.9586 k = 0.2941 0.5000 0.2850 ( 14164 PWs) bands (ev): -71.7967 -71.7967 -71.7967 -71.7967 -41.5787 -41.5787 -41.5786 -41.5786 -40.4338 -40.4338 -40.4338 -40.4338 -40.2976 -40.2976 -40.2975 -40.2975 -24.4635 -24.4635 -24.4635 -24.4635 -8.2060 -8.2060 -8.2029 -8.2029 -7.9757 -7.9757 -7.9470 -7.9470 -7.9016 -7.9016 -7.8761 -7.8761 -2.2184 -2.2184 -2.2174 -2.2174 2.8755 2.8755 2.9354 2.9354 4.2022 4.2022 4.4169 4.4169 4.6297 4.6297 4.7696 4.7696 5.7487 5.7487 5.7526 5.7526 5.9900 5.9900 5.9908 5.9908 6.3602 6.3602 6.3849 6.3849 6.7496 6.7496 6.7538 6.7538 7.3930 7.3930 7.3977 7.3977 8.9807 8.9812 k = 0.3088 0.5000 0.2850 ( 14164 PWs) bands (ev): -71.7967 -71.7967 -71.7967 -71.7967 -41.5787 -41.5787 -41.5786 -41.5786 -40.4338 -40.4338 -40.4338 -40.4338 -40.2975 -40.2975 -40.2975 -40.2975 -24.4634 -24.4634 -24.4634 -24.4634 -8.2062 -8.2062 -8.2031 -8.2031 -7.9755 -7.9755 -7.9476 -7.9476 -7.9020 -7.9020 -7.8771 -7.8771 -2.2099 -2.2099 -2.2088 -2.2088 2.8689 2.8689 2.9273 2.9273 4.2040 4.2040 4.4152 4.4152 4.6331 4.6331 4.7715 4.7715 5.7436 5.7436 5.7464 5.7464 5.9712 5.9712 5.9726 5.9726 6.3658 6.3658 6.3925 6.3925 6.7224 6.7224 6.7287 6.7287 7.3747 7.3747 7.3778 7.3778 9.0016 9.0020 k = 0.3235 0.5000 0.2850 ( 14160 PWs) bands (ev): -71.7966 -71.7966 -71.7966 -71.7966 -41.5787 -41.5787 -41.5786 -41.5786 -40.4338 -40.4338 -40.4338 -40.4338 -40.2975 -40.2975 -40.2975 -40.2975 -24.4633 -24.4633 -24.4633 -24.4633 -8.2064 -8.2064 -8.2035 -8.2035 -7.9752 -7.9752 -7.9483 -7.9483 -7.9022 -7.9022 -7.8782 -7.8782 -2.2016 -2.2016 -2.2006 -2.2006 2.8617 2.8617 2.9178 2.9178 4.2089 4.2089 4.4155 4.4155 4.6355 4.6355 4.7723 4.7723 5.7411 5.7411 5.7430 5.7430 5.9522 5.9522 5.9557 5.9557 6.3705 6.3705 6.3990 6.3990 6.6963 6.6963 6.7048 6.7048 7.3576 7.3576 7.3594 7.3594 9.0215 9.0215 k = 0.3382 0.5000 0.2850 ( 14164 PWs) bands (ev): -71.7967 -71.7967 -71.7967 -71.7967 -41.5787 -41.5787 -41.5787 -41.5787 -40.4338 -40.4338 -40.4338 -40.4338 -40.2975 -40.2975 -40.2975 -40.2975 -24.4633 -24.4633 -24.4633 -24.4633 -8.2066 -8.2066 -8.2038 -8.2038 -7.9747 -7.9747 -7.9491 -7.9491 -7.9022 -7.9022 -7.8794 -7.8794 -2.1936 -2.1936 -2.1926 -2.1926 2.8537 2.8537 2.9071 2.9071 4.2166 4.2166 4.4175 4.4175 4.6374 4.6374 4.7724 4.7724 5.7381 5.7381 5.7393 5.7393 5.9336 5.9336 5.9388 5.9388 6.3742 6.3742 6.4044 6.4044 6.6706 6.6706 6.6811 6.6811 7.3403 7.3403 7.3411 7.3411 9.0400 9.0400 k = 0.3529 0.5000 0.2850 ( 14168 PWs) bands (ev): -71.7968 -71.7968 -71.7968 -71.7968 -41.5787 -41.5787 -41.5787 -41.5787 -40.4338 -40.4338 -40.4338 -40.4338 -40.2975 -40.2975 -40.2975 -40.2975 -24.4632 -24.4632 -24.4632 -24.4632 -8.2068 -8.2068 -8.2042 -8.2042 -7.9741 -7.9741 -7.9501 -7.9501 -7.9021 -7.9021 -7.8806 -7.8806 -2.1860 -2.1860 -2.1851 -2.1851 2.8457 2.8457 2.8957 2.8957 4.2270 4.2270 4.4208 4.4208 4.6388 4.6388 4.7710 4.7710 5.7378 5.7378 5.7380 5.7380 5.9159 5.9159 5.9225 5.9225 6.3763 6.3763 6.4074 6.4074 6.6444 6.6444 6.6566 6.6566 7.3251 7.3251 7.3251 7.3251 9.0570 9.0570 k = 0.3676 0.5000 0.2850 ( 14148 PWs) bands (ev): -71.7961 -71.7961 -71.7961 -71.7961 -41.5787 -41.5787 -41.5787 -41.5787 -40.4338 -40.4338 -40.4338 -40.4338 -40.2975 -40.2975 -40.2975 -40.2975 -24.4631 -24.4631 -24.4631 -24.4631 -8.2069 -8.2069 -8.2046 -8.2046 -7.9734 -7.9734 -7.9511 -7.9511 -7.9018 -7.9018 -7.8818 -7.8818 -2.1788 -2.1788 -2.1780 -2.1780 2.8378 2.8378 2.8840 2.8840 4.2397 4.2397 4.4251 4.4251 4.6406 4.6406 4.7693 4.7693 5.7385 5.7385 5.7395 5.7395 5.9001 5.9001 5.9085 5.9085 6.3804 6.3804 6.4123 6.4123 6.6237 6.6237 6.6376 6.6376 7.3132 7.3132 7.3136 7.3136 9.0726 9.0726 k = 0.3824 0.5000 0.2850 ( 14168 PWs) bands (ev): -71.7968 -71.7968 -71.7968 -71.7968 -41.5787 -41.5787 -41.5787 -41.5787 -40.4339 -40.4339 -40.4338 -40.4338 -40.2975 -40.2975 -40.2975 -40.2975 -24.4631 -24.4631 -24.4631 -24.4631 -8.2071 -8.2071 -8.2049 -8.2049 -7.9726 -7.9726 -7.9522 -7.9522 -7.9013 -7.9013 -7.8831 -7.8831 -2.1722 -2.1722 -2.1714 -2.1714 2.8299 2.8299 2.8718 2.8718 4.2544 4.2544 4.4293 4.4293 4.6415 4.6415 4.7651 4.7651 5.7376 5.7376 5.7399 5.7399 5.8818 5.8818 5.8915 5.8915 6.3794 6.3794 6.4115 6.4115 6.6008 6.6008 6.6159 6.6159 7.2982 7.2982 7.2990 7.2990 9.0865 9.0865 k = 0.3971 0.5000 0.2850 ( 14180 PWs) bands (ev): -71.7972 -71.7972 -71.7972 -71.7972 -41.5787 -41.5787 -41.5787 -41.5787 -40.4339 -40.4339 -40.4339 -40.4339 -40.2975 -40.2975 -40.2975 -40.2975 -24.4630 -24.4630 -24.4630 -24.4630 -8.2073 -8.2073 -8.2053 -8.2053 -7.9716 -7.9716 -7.9534 -7.9534 -7.9007 -7.9007 -7.8844 -7.8844 -2.1662 -2.1662 -2.1655 -2.1655 2.8226 2.8226 2.8598 2.8598 4.2708 4.2708 4.4331 4.4331 4.6429 4.6429 4.7595 4.7595 5.7384 5.7384 5.7419 5.7419 5.8654 5.8654 5.8762 5.8762 6.3782 6.3782 6.4096 6.4096 6.5811 6.5811 6.5969 6.5969 7.2863 7.2863 7.2873 7.2873 9.0987 9.0987 k = 0.4118 0.5000 0.2850 ( 14184 PWs) bands (ev): -71.7974 -71.7974 -71.7974 -71.7974 -41.5787 -41.5787 -41.5787 -41.5787 -40.4339 -40.4339 -40.4339 -40.4339 -40.2975 -40.2975 -40.2975 -40.2975 -24.4630 -24.4630 -24.4630 -24.4630 -8.2074 -8.2074 -8.2057 -8.2057 -7.9706 -7.9706 -7.9547 -7.9547 -7.9000 -7.9000 -7.8857 -7.8857 -2.1609 -2.1609 -2.1602 -2.1602 2.8161 2.8161 2.8485 2.8485 4.2885 4.2885 4.4355 4.4355 4.6453 4.6453 4.7528 4.7528 5.7410 5.7410 5.7456 5.7456 5.8507 5.8507 5.8623 5.8623 6.3767 6.3767 6.4065 6.4065 6.5647 6.5647 6.5804 6.5804 7.2775 7.2775 7.2785 7.2785 9.1091 9.1093 k = 0.4265 0.5000 0.2850 ( 14196 PWs) bands (ev): -71.7978 -71.7978 -71.7978 -71.7978 -41.5787 -41.5787 -41.5787 -41.5787 -40.4339 -40.4339 -40.4339 -40.4339 -40.2975 -40.2975 -40.2975 -40.2975 -24.4629 -24.4629 -24.4629 -24.4629 -8.2075 -8.2075 -8.2061 -8.2061 -7.9695 -7.9695 -7.9560 -7.9560 -7.8992 -7.8992 -7.8871 -7.8871 -2.1562 -2.1562 -2.1557 -2.1557 2.8107 2.8107 2.8379 2.8379 4.3070 4.3070 4.4359 4.4359 4.6492 4.6492 4.7449 4.7449 5.7433 5.7433 5.7493 5.7493 5.8359 5.8359 5.8481 5.8481 6.3750 6.3750 6.4022 6.4022 6.5493 6.5493 6.5643 6.5643 7.2698 7.2698 7.2708 7.2708 9.1181 9.1182 k = 0.4412 0.5000 0.2850 ( 14168 PWs) bands (ev): -71.7968 -71.7968 -71.7968 -71.7968 -41.5787 -41.5787 -41.5787 -41.5787 -40.4339 -40.4339 -40.4339 -40.4339 -40.2975 -40.2975 -40.2975 -40.2975 -24.4629 -24.4629 -24.4629 -24.4629 -8.2075 -8.2075 -8.2064 -8.2064 -7.9683 -7.9683 -7.9573 -7.9573 -7.8982 -7.8982 -7.8884 -7.8884 -2.1523 -2.1523 -2.1519 -2.1519 2.8070 2.8070 2.8290 2.8290 4.3260 4.3260 4.4340 4.4340 4.6550 4.6550 4.7362 4.7362 5.7497 5.7497 5.7565 5.7565 5.8252 5.8252 5.8374 5.8374 6.3769 6.3769 6.4001 6.4001 6.5418 6.5418 6.5550 6.5550 7.2697 7.2697 7.2705 7.2705 9.1253 9.1254 k = 0.4559 0.5000 0.2850 ( 14172 PWs) bands (ev): -71.7970 -71.7970 -71.7970 -71.7970 -41.5787 -41.5787 -41.5787 -41.5787 -40.4339 -40.4339 -40.4339 -40.4339 -40.2975 -40.2975 -40.2975 -40.2975 -24.4628 -24.4628 -24.4628 -24.4628 -8.2075 -8.2075 -8.2067 -8.2067 -7.9670 -7.9670 -7.9587 -7.9587 -7.8972 -7.8972 -7.8898 -7.8898 -2.1493 -2.1493 -2.1489 -2.1489 2.8041 2.8041 2.8207 2.8207 4.3447 4.3447 4.4286 4.4286 4.6623 4.6623 4.7261 4.7261 5.7545 5.7545 5.7620 5.7620 5.8139 5.8139 5.8256 5.8256 6.3755 6.3755 6.3938 6.3938 6.5353 6.5353 6.5459 6.5459 7.2652 7.2652 7.2659 7.2659 9.1309 9.1310 k = 0.4706 0.5000 0.2850 ( 14184 PWs) bands (ev): -71.7974 -71.7974 -71.7974 -71.7974 -41.5787 -41.5787 -41.5787 -41.5787 -40.4339 -40.4339 -40.4339 -40.4339 -40.2975 -40.2975 -40.2975 -40.2975 -24.4628 -24.4628 -24.4628 -24.4628 -8.2075 -8.2075 -8.2069 -8.2069 -7.9657 -7.9657 -7.9601 -7.9601 -7.8961 -7.8961 -7.8911 -7.8911 -2.1470 -2.1470 -2.1468 -2.1468 2.8024 2.8024 2.8135 2.8135 4.3629 4.3629 4.4203 4.4203 4.6713 4.6713 4.7153 4.7153 5.7600 5.7600 5.7676 5.7676 5.8038 5.8038 5.8144 5.8144 6.3755 6.3755 6.3881 6.3881 6.5312 6.5312 6.5385 6.5385 7.2576 7.2576 7.2581 7.2581 9.1349 9.1350 k = 0.4853 0.5000 0.2850 ( 14192 PWs) bands (ev): -71.7977 -71.7977 -71.7977 -71.7977 -41.5787 -41.5787 -41.5787 -41.5787 -40.4339 -40.4339 -40.4339 -40.4339 -40.2975 -40.2975 -40.2975 -40.2975 -24.4628 -24.4628 -24.4628 -24.4628 -8.2074 -8.2074 -8.2071 -8.2071 -7.9643 -7.9643 -7.9615 -7.9615 -7.8949 -7.8949 -7.8924 -7.8924 -2.1457 -2.1457 -2.1455 -2.1455 2.8025 2.8025 2.8080 2.8080 4.3799 4.3799 4.4091 4.4091 4.6815 4.6815 4.7039 4.7039 5.7649 5.7649 5.7706 5.7706 5.7965 5.7965 5.8038 5.8038 6.3764 6.3764 6.3828 6.3828 6.5306 6.5306 6.5343 6.5343 7.2545 7.2545 7.2547 7.2547 9.1373 9.1373 k = 0.5000 0.5000 0.2850 ( 14200 PWs) bands (ev): -71.7980 -71.7980 -71.7980 -71.7980 -41.5787 -41.5787 -41.5787 -41.5787 -40.4339 -40.4339 -40.4339 -40.4339 -40.2975 -40.2975 -40.2975 -40.2975 -24.4628 -24.4628 -24.4628 -24.4628 -8.2073 -8.2073 -8.2073 -8.2073 -7.9629 -7.9629 -7.9629 -7.9629 -7.8937 -7.8937 -7.8937 -7.8937 -2.1452 -2.1452 -2.1452 -2.1452 2.8044 2.8044 2.8044 2.8044 4.3955 4.3955 4.3955 4.3955 4.6926 4.6926 4.6926 4.6926 5.7696 5.7696 5.7696 5.7696 5.7961 5.7961 5.7961 5.7961 6.3789 6.3789 6.3789 6.3789 6.5301 6.5301 6.5301 6.5301 7.2523 7.2523 7.2523 7.2523 9.1381 9.1381 k = 0.5000 0.5000 0.2850 ( 14200 PWs) bands (ev): -71.7980 -71.7980 -71.7980 -71.7980 -41.5787 -41.5787 -41.5787 -41.5787 -40.4339 -40.4339 -40.4339 -40.4339 -40.2975 -40.2975 -40.2975 -40.2975 -24.4628 -24.4628 -24.4628 -24.4628 -8.2073 -8.2073 -8.2073 -8.2073 -7.9629 -7.9629 -7.9629 -7.9629 -7.8937 -7.8937 -7.8937 -7.8937 -2.1452 -2.1452 -2.1452 -2.1452 2.8044 2.8044 2.8044 2.8044 4.3955 4.3955 4.3955 4.3955 4.6926 4.6926 4.6926 4.6926 5.7696 5.7696 5.7696 5.7696 5.7961 5.7961 5.7961 5.7961 6.3789 6.3789 6.3789 6.3789 6.5301 6.5301 6.5301 6.5301 7.2523 7.2523 7.2523 7.2523 9.1381 9.1381 k = 0.4896 0.4896 0.2850 ( 14188 PWs) bands (ev): -71.7977 -71.7977 -71.7974 -71.7974 -41.5787 -41.5787 -41.5787 -41.5787 -40.4339 -40.4339 -40.4339 -40.4339 -40.2975 -40.2975 -40.2975 -40.2975 -24.4628 -24.4628 -24.4628 -24.4628 -8.2074 -8.2074 -8.2071 -8.2071 -7.9643 -7.9643 -7.9615 -7.9615 -7.8949 -7.8949 -7.8924 -7.8924 -2.1460 -2.1460 -2.1451 -2.1451 2.8025 2.8025 2.8082 2.8082 4.3798 4.3798 4.4092 4.4092 4.6815 4.6815 4.7040 4.7040 5.7643 5.7643 5.7738 5.7738 5.7957 5.7957 5.8049 5.8049 6.3760 6.3760 6.3833 6.3833 6.5303 6.5303 6.5346 6.5346 7.2541 7.2541 7.2554 7.2554 9.1353 9.1353 k = 0.4792 0.4792 0.2850 ( 14186 PWs) bands (ev): -71.7977 -71.7977 -71.7973 -71.7973 -41.5788 -41.5788 -41.5787 -41.5787 -40.4340 -40.4340 -40.4339 -40.4339 -40.2975 -40.2975 -40.2975 -40.2975 -24.4629 -24.4629 -24.4628 -24.4628 -8.2075 -8.2075 -8.2069 -8.2069 -7.9657 -7.9657 -7.9601 -7.9601 -7.8961 -7.8961 -7.8911 -7.8911 -2.1486 -2.1486 -2.1452 -2.1452 2.8020 2.8020 2.8139 2.8139 4.3620 4.3620 4.4211 4.4211 4.6708 4.6708 4.7156 4.7156 5.7548 5.7548 5.7746 5.7746 5.7988 5.7988 5.8158 5.8158 6.3726 6.3726 6.3915 6.3915 6.5294 6.5294 6.5398 6.5398 7.2542 7.2542 7.2617 7.2617 9.1271 9.1271 k = 0.4688 0.4687 0.2850 ( 14184 PWs) bands (ev): -71.7977 -71.7977 -71.7971 -71.7971 -41.5788 -41.5788 -41.5787 -41.5787 -40.4340 -40.4340 -40.4338 -40.4338 -40.2975 -40.2975 -40.2975 -40.2975 -24.4629 -24.4629 -24.4628 -24.4628 -8.2076 -8.2076 -8.2066 -8.2066 -7.9670 -7.9670 -7.9587 -7.9587 -7.8972 -7.8972 -7.8897 -7.8897 -2.1530 -2.1530 -2.1453 -2.1453 2.8028 2.8028 2.8220 2.8220 4.3419 4.3419 4.4313 4.4313 4.6608 4.6608 4.7270 4.7270 5.7447 5.7447 5.7765 5.7765 5.8026 5.8026 5.8286 5.8286 6.3678 6.3678 6.4037 6.4037 6.5272 6.5272 6.5495 6.5495 7.2548 7.2548 7.2704 7.2704 9.1137 9.1137 k = 0.4583 0.4583 0.2850 ( 14188 PWs) bands (ev): -71.7982 -71.7982 -71.7968 -71.7968 -41.5788 -41.5788 -41.5786 -41.5786 -40.4341 -40.4341 -40.4337 -40.4337 -40.2975 -40.2975 -40.2974 -40.2974 -24.4630 -24.4630 -24.4627 -24.4627 -8.2076 -8.2076 -8.2063 -8.2063 -7.9683 -7.9683 -7.9573 -7.9573 -7.8983 -7.8983 -7.8884 -7.8884 -2.1591 -2.1591 -2.1454 -2.1454 2.8042 2.8042 2.8323 2.8323 4.3197 4.3197 4.4401 4.4401 4.6512 4.6512 4.7381 4.7381 5.7352 5.7352 5.7796 5.7796 5.8070 5.8070 5.8433 5.8433 6.3633 6.3633 6.4186 6.4186 6.5263 6.5263 6.5599 6.5599 7.2539 7.2539 7.2763 7.2763 9.0956 9.0956 k = 0.4479 0.4479 0.2850 ( 14204 PWs) bands (ev): -71.7981 -71.7981 -71.7980 -71.7980 -41.5789 -41.5789 -41.5786 -41.5786 -40.4342 -40.4342 -40.4336 -40.4336 -40.2975 -40.2975 -40.2975 -40.2975 -24.4631 -24.4631 -24.4627 -24.4627 -8.2076 -8.2076 -8.2058 -8.2058 -7.9695 -7.9695 -7.9559 -7.9559 -7.8993 -7.8993 -7.8870 -7.8870 -2.1668 -2.1668 -2.1457 -2.1457 2.8062 2.8062 2.8454 2.8454 4.2952 4.2952 4.4473 4.4473 4.6419 4.6419 4.7487 4.7487 5.7257 5.7257 5.7803 5.7803 5.8117 5.8117 5.8579 5.8579 6.3534 6.3534 6.4398 6.4398 6.5216 6.5216 6.5744 6.5744 7.2556 7.2556 7.2810 7.2810 9.0732 9.0732 k = 0.4375 0.4375 0.2850 ( 14194 PWs) bands (ev): -71.7978 -71.7978 -71.7975 -71.7975 -41.5790 -41.5790 -41.5785 -41.5785 -40.4343 -40.4343 -40.4335 -40.4335 -40.2976 -40.2976 -40.2974 -40.2974 -24.4633 -24.4633 -24.4627 -24.4627 -8.2077 -8.2077 -8.2053 -8.2053 -7.9707 -7.9707 -7.9545 -7.9545 -7.9002 -7.9002 -7.8856 -7.8856 -2.1763 -2.1763 -2.1460 -2.1460 2.8103 2.8103 2.8614 2.8614 4.2689 4.2689 4.4537 4.4537 4.6328 4.6328 4.7588 4.7588 5.7183 5.7183 5.7855 5.7855 5.8210 5.8210 5.8744 5.8744 6.3452 6.3452 6.4650 6.4650 6.5200 6.5200 6.5913 6.5913 7.2558 7.2558 7.3003 7.3003 9.0474 9.0474 k = 0.4271 0.4271 0.2850 ( 14194 PWs) bands (ev): -71.7978 -71.7978 -71.7975 -71.7975 -41.5790 -41.5790 -41.5784 -41.5784 -40.4344 -40.4344 -40.4334 -40.4334 -40.2976 -40.2976 -40.2975 -40.2975 -24.4634 -24.4634 -24.4626 -24.4626 -8.2077 -8.2077 -8.2046 -8.2046 -7.9718 -7.9718 -7.9531 -7.9531 -7.9011 -7.9011 -7.8842 -7.8842 -2.1874 -2.1874 -2.1464 -2.1464 2.8153 2.8153 2.8801 2.8801 4.2409 4.2409 4.4593 4.4593 4.6235 4.6235 4.7679 4.7679 5.7098 5.7098 5.7895 5.7895 5.8301 5.8301 5.8887 5.8887 6.3407 6.3407 6.4917 6.4917 6.5150 6.5150 6.6122 6.6122 7.2599 7.2599 7.3158 7.3158 9.0186 9.0186 k = 0.4167 0.4167 0.2850 ( 14178 PWs) bands (ev): -71.7973 -71.7973 -71.7970 -71.7970 -41.5791 -41.5791 -41.5783 -41.5783 -40.4345 -40.4345 -40.4332 -40.4332 -40.2976 -40.2976 -40.2974 -40.2974 -24.4636 -24.4636 -24.4625 -24.4625 -8.2077 -8.2077 -8.2039 -8.2039 -7.9728 -7.9728 -7.9518 -7.9518 -7.9019 -7.9019 -7.8828 -7.8828 -2.2001 -2.2001 -2.1470 -2.1470 2.8212 2.8212 2.9012 2.9012 4.2115 4.2115 4.4643 4.4643 4.6137 4.6137 4.7770 4.7770 5.7040 5.7040 5.7967 5.7967 5.8427 5.8427 5.9067 5.9067 6.3361 6.3361 6.5152 6.5152 6.5282 6.5282 6.6331 6.6331 7.2603 7.2603 7.3323 7.3323 8.9877 8.9877 k = 0.4062 0.4062 0.2850 ( 14178 PWs) bands (ev): -71.7976 -71.7976 -71.7967 -71.7967 -41.5792 -41.5792 -41.5782 -41.5782 -40.4347 -40.4347 -40.4330 -40.4330 -40.2976 -40.2976 -40.2974 -40.2974 -24.4638 -24.4638 -24.4625 -24.4625 -8.2077 -8.2077 -8.2031 -8.2031 -7.9737 -7.9737 -7.9504 -7.9504 -7.9027 -7.9027 -7.8814 -7.8814 -2.2145 -2.2145 -2.1477 -2.1477 2.8285 2.8285 2.9251 2.9251 4.1808 4.1808 4.4686 4.4686 4.6029 4.6029 4.7846 4.7846 5.6973 5.6973 5.8042 5.8042 5.8540 5.8540 5.9238 5.9238 6.3308 6.3308 6.5136 6.5136 6.5615 6.5615 6.6555 6.6555 7.2624 7.2624 7.3493 7.3493 8.9553 8.9553 k = 0.3958 0.3958 0.2850 ( 14174 PWs) bands (ev): -71.7977 -71.7977 -71.7964 -71.7964 -41.5793 -41.5793 -41.5781 -41.5781 -40.4349 -40.4349 -40.4328 -40.4328 -40.2976 -40.2976 -40.2974 -40.2974 -24.4640 -24.4640 -24.4624 -24.4624 -8.2077 -8.2077 -8.2022 -8.2022 -7.9745 -7.9745 -7.9491 -7.9491 -7.9033 -7.9033 -7.8800 -7.8800 -2.2303 -2.2303 -2.1487 -2.1487 2.8374 2.8374 2.9516 2.9516 4.1493 4.1493 4.4722 4.4722 4.5911 4.5911 4.7921 4.7921 5.6896 5.6896 5.8152 5.8152 5.8693 5.8693 5.9409 5.9409 6.3241 6.3241 6.5119 6.5119 6.6007 6.6007 6.6764 6.6764 7.2624 7.2624 7.3710 7.3710 8.9221 8.9221 k = 0.3854 0.3854 0.2850 ( 14170 PWs) bands (ev): -71.7980 -71.7980 -71.7958 -71.7958 -41.5794 -41.5794 -41.5779 -41.5779 -40.4350 -40.4350 -40.4326 -40.4326 -40.2976 -40.2976 -40.2974 -40.2974 -24.4643 -24.4643 -24.4623 -24.4623 -8.2077 -8.2077 -8.2011 -8.2011 -7.9752 -7.9752 -7.9479 -7.9479 -7.9039 -7.9039 -7.8786 -7.8786 -2.2476 -2.2476 -2.1499 -2.1499 2.8479 2.8479 2.9807 2.9807 4.1173 4.1173 4.4757 4.4757 4.5778 4.5778 4.7991 4.7991 5.6836 5.6836 5.8260 5.8260 5.8846 5.8846 5.9588 5.9588 6.3194 6.3194 6.5087 6.5087 6.6422 6.6422 6.7002 6.7002 7.2636 7.2636 7.3920 7.3920 8.8888 8.8888 k = 0.3750 0.3750 0.2850 ( 14172 PWs) bands (ev): -71.7981 -71.7981 -71.7957 -71.7957 -41.5796 -41.5796 -41.5778 -41.5778 -40.4352 -40.4352 -40.4324 -40.4324 -40.2977 -40.2977 -40.2974 -40.2974 -24.4645 -24.4645 -24.4622 -24.4622 -8.2077 -8.2077 -8.2000 -8.2000 -7.9757 -7.9757 -7.9466 -7.9466 -7.9044 -7.9044 -7.8773 -7.8773 -2.2664 -2.2664 -2.1514 -2.1514 2.8602 2.8602 3.0124 3.0124 4.0850 4.0850 4.4788 4.4788 4.5630 4.5630 4.8050 4.8050 5.6771 5.6771 5.8382 5.8382 5.8990 5.8990 5.9765 5.9765 6.3168 6.3168 6.5054 6.5054 6.6834 6.6834 6.7246 6.7246 7.2637 7.2637 7.4145 7.4145 8.8560 8.8560 k = 0.3646 0.3646 0.2850 ( 14172 PWs) bands (ev): -71.7974 -71.7974 -71.7965 -71.7965 -41.5797 -41.5797 -41.5776 -41.5776 -40.4355 -40.4355 -40.4321 -40.4321 -40.2977 -40.2977 -40.2973 -40.2973 -24.4648 -24.4648 -24.4622 -24.4622 -8.2077 -8.2077 -8.1988 -8.1988 -7.9762 -7.9762 -7.9454 -7.9454 -7.9048 -7.9048 -7.8760 -7.8760 -2.2865 -2.2865 -2.1532 -2.1532 2.8747 2.8747 3.0466 3.0466 4.0528 4.0528 4.4814 4.4814 4.5470 4.5470 4.8092 4.8092 5.6719 5.6719 5.8542 5.8542 5.9128 5.9128 5.9932 5.9932 6.3164 6.3164 6.5024 6.5024 6.7223 6.7223 6.7499 6.7499 7.2636 7.2636 7.4427 7.4427 8.8244 8.8244 k = 0.3542 0.3542 0.2850 ( 14172 PWs) bands (ev): -71.7974 -71.7974 -71.7965 -71.7965 -41.5798 -41.5798 -41.5775 -41.5775 -40.4357 -40.4357 -40.4318 -40.4318 -40.2978 -40.2978 -40.2973 -40.2973 -24.4651 -24.4651 -24.4621 -24.4621 -8.2078 -8.2078 -8.1975 -8.1975 -7.9765 -7.9765 -7.9442 -7.9442 -7.9052 -7.9052 -7.8748 -7.8748 -2.3079 -2.3079 -2.1554 -2.1554 2.8907 2.8907 3.0833 3.0833 4.0208 4.0208 4.4830 4.4830 4.5302 4.5302 4.8139 4.8139 5.6651 5.6651 5.8694 5.8694 5.9305 5.9305 6.0110 6.0110 6.3162 6.3162 6.4989 6.4989 6.7637 6.7637 6.7777 6.7777 7.2637 7.2637 7.4680 7.4680 8.7946 8.7946 k = 0.3438 0.3437 0.2850 ( 14168 PWs) bands (ev): -71.7969 -71.7969 -71.7967 -71.7967 -41.5800 -41.5800 -41.5773 -41.5773 -40.4360 -40.4360 -40.4315 -40.4315 -40.2978 -40.2978 -40.2973 -40.2973 -24.4654 -24.4654 -24.4620 -24.4620 -8.2078 -8.2078 -8.1960 -8.1960 -7.9767 -7.9767 -7.9431 -7.9431 -7.9055 -7.9055 -7.8736 -7.8736 -2.3304 -2.3304 -2.1579 -2.1579 2.9084 2.9084 3.1224 3.1224 3.9895 3.9895 4.4817 4.4817 4.5146 4.5146 4.8165 4.8165 5.6584 5.6584 5.8871 5.8871 5.9499 5.9499 6.0299 6.0299 6.3202 6.3202 6.4993 6.4993 6.7971 6.7971 6.8116 6.8116 7.2635 7.2635 7.4924 7.4924 8.7672 8.7672 k = 0.3333 0.3333 0.2850 ( 14184 PWs) bands (ev): -71.7978 -71.7978 -71.7970 -71.7970 -41.5802 -41.5802 -41.5771 -41.5771 -40.4363 -40.4363 -40.4312 -40.4312 -40.2979 -40.2979 -40.2973 -40.2973 -24.4657 -24.4657 -24.4618 -24.4618 -8.2078 -8.2078 -8.1945 -8.1945 -7.9767 -7.9767 -7.9419 -7.9419 -7.9057 -7.9057 -7.8725 -7.8725 -2.3540 -2.3540 -2.1609 -2.1609 2.9278 2.9278 3.1636 3.1636 3.9590 3.9590 4.4719 4.4719 4.5056 4.5056 4.8201 4.8201 5.6488 5.6488 5.9040 5.9040 5.9693 5.9693 6.0459 6.0459 6.3190 6.3190 6.4927 6.4927 6.8261 6.8261 6.8521 6.8521 7.2620 7.2620 7.5178 7.5178 8.7430 8.7430 k = 0.3229 0.3229 0.2850 ( 14164 PWs) bands (ev): -71.7970 -71.7970 -71.7963 -71.7963 -41.5803 -41.5803 -41.5769 -41.5769 -40.4365 -40.4365 -40.4309 -40.4309 -40.2979 -40.2979 -40.2972 -40.2972 -24.4661 -24.4661 -24.4617 -24.4617 -8.2078 -8.2078 -8.1929 -8.1929 -7.9766 -7.9766 -7.9409 -7.9409 -7.9058 -7.9058 -7.8715 -7.8715 -2.3785 -2.3785 -2.1643 -2.1643 2.9492 2.9492 3.2075 3.2075 3.9297 3.9297 4.4541 4.4541 4.5045 4.5045 4.8246 4.8246 5.6427 5.6427 5.9246 5.9246 5.9902 5.9902 6.0661 6.0661 6.3240 6.3240 6.4931 6.4931 6.8563 6.8563 6.8963 6.8963 7.2623 7.2623 7.5460 7.5460 8.7228 8.7228 k = 0.3125 0.3125 0.2850 ( 14158 PWs) bands (ev): -71.7966 -71.7966 -71.7963 -71.7963 -41.5805 -41.5805 -41.5767 -41.5767 -40.4368 -40.4368 -40.4306 -40.4306 -40.2979 -40.2979 -40.2972 -40.2972 -24.4664 -24.4664 -24.4616 -24.4616 -8.2078 -8.2078 -8.1911 -8.1911 -7.9763 -7.9763 -7.9398 -7.9398 -7.9058 -7.9058 -7.8705 -7.8705 -2.4040 -2.4040 -2.1682 -2.1682 2.9720 2.9720 3.2530 3.2530 3.9018 3.9018 4.4323 4.4323 4.5063 4.5063 4.8276 4.8276 5.6344 5.6344 5.9485 5.9485 6.0115 6.0115 6.0850 6.0850 6.3293 6.3293 6.4894 6.4894 6.8874 6.8874 6.9370 6.9370 7.2597 7.2597 7.5717 7.5717 8.7073 8.7073 k = 0.3021 0.3021 0.2850 ( 14156 PWs) bands (ev): -71.7965 -71.7965 -71.7963 -71.7963 -41.5807 -41.5807 -41.5765 -41.5765 -40.4371 -40.4371 -40.4302 -40.4302 -40.2980 -40.2980 -40.2972 -40.2972 -24.4668 -24.4668 -24.4615 -24.4615 -8.2077 -8.2077 -8.1893 -8.1893 -7.9759 -7.9759 -7.9388 -7.9388 -7.9057 -7.9057 -7.8696 -7.8696 -2.4302 -2.4302 -2.1726 -2.1726 2.9962 2.9962 3.3007 3.3007 3.8754 3.8754 4.4091 4.4091 4.5087 4.5087 4.8302 4.8302 5.6261 5.6261 5.9712 5.9712 6.0334 6.0334 6.1029 6.1029 6.3343 6.3343 6.4864 6.4864 6.9163 6.9163 6.9747 6.9747 7.2592 7.2592 7.5994 7.5994 8.6970 8.6970 k = 0.2917 0.2917 0.2850 ( 14152 PWs) bands (ev): -71.7963 -71.7963 -71.7961 -71.7961 -41.5809 -41.5809 -41.5763 -41.5763 -40.4374 -40.4374 -40.4299 -40.4299 -40.2980 -40.2980 -40.2972 -40.2972 -24.4671 -24.4671 -24.4614 -24.4614 -8.2077 -8.2077 -8.1874 -8.1874 -7.9754 -7.9754 -7.9379 -7.9379 -7.9056 -7.9056 -7.8687 -7.8687 -2.4570 -2.4570 -2.1775 -2.1775 3.0213 3.0213 3.3501 3.3501 3.8508 3.8508 4.3853 4.3853 4.5123 4.5123 4.8320 4.8320 5.6166 5.6166 5.9948 5.9948 6.0555 6.0555 6.1207 6.1207 6.3433 6.3433 6.4826 6.4826 6.9503 6.9503 7.0085 7.0085 7.2587 7.2587 7.6235 7.6235 8.6929 8.6929 k = 0.2812 0.2812 0.2850 ( 14160 PWs) bands (ev): -71.7966 -71.7966 -71.7963 -71.7963 -41.5811 -41.5811 -41.5761 -41.5761 -40.4377 -40.4377 -40.4295 -40.4295 -40.2981 -40.2981 -40.2971 -40.2971 -24.4675 -24.4675 -24.4613 -24.4613 -8.2077 -8.2077 -8.1854 -8.1854 -7.9747 -7.9747 -7.9370 -7.9370 -7.9053 -7.9053 -7.8680 -7.8680 -2.4843 -2.4843 -2.1829 -2.1829 3.0469 3.0469 3.4013 3.4013 3.8286 3.8286 4.3615 4.3615 4.5150 4.5150 4.8346 4.8346 5.6053 5.6053 6.0184 6.0184 6.0741 6.0741 6.1386 6.1386 6.3490 6.3490 6.4802 6.4802 6.9802 6.9802 7.0403 7.0403 7.2596 7.2596 7.6461 7.6461 8.6958 8.6958 k = 0.2708 0.2708 0.2850 ( 14162 PWs) bands (ev): -71.7965 -71.7965 -71.7965 -71.7965 -41.5813 -41.5813 -41.5759 -41.5759 -40.4380 -40.4380 -40.4292 -40.4292 -40.2981 -40.2981 -40.2971 -40.2971 -24.4679 -24.4679 -24.4611 -24.4611 -8.2076 -8.2076 -8.1833 -8.1833 -7.9739 -7.9739 -7.9362 -7.9362 -7.9049 -7.9049 -7.8674 -7.8674 -2.5119 -2.5119 -2.1889 -2.1889 3.0729 3.0729 3.4531 3.4531 3.8090 3.8090 4.3385 4.3385 4.5177 4.5177 4.8368 4.8368 5.5948 5.5948 6.0433 6.0433 6.0967 6.0967 6.1568 6.1568 6.3572 6.3572 6.4786 6.4786 7.0106 7.0106 7.0675 7.0675 7.2578 7.2578 7.6690 7.6690 8.7061 8.7061 k = 0.2604 0.2604 0.2850 ( 14174 PWs) bands (ev): -71.7970 -71.7970 -71.7969 -71.7969 -41.5815 -41.5815 -41.5757 -41.5757 -40.4384 -40.4384 -40.4289 -40.4289 -40.2982 -40.2982 -40.2971 -40.2971 -24.4683 -24.4683 -24.4610 -24.4610 -8.2075 -8.2075 -8.1812 -8.1812 -7.9730 -7.9730 -7.9354 -7.9354 -7.9044 -7.9044 -7.8668 -7.8668 -2.5399 -2.5399 -2.1953 -2.1953 3.0987 3.0987 3.5048 3.5048 3.7930 3.7930 4.3166 4.3166 4.5207 4.5207 4.8384 4.8384 5.5817 5.5817 6.0685 6.0685 6.1155 6.1155 6.1745 6.1745 6.3669 6.3669 6.4763 6.4763 7.0418 7.0418 7.0901 7.0901 7.2546 7.2546 7.6901 7.6901 8.7245 8.7245 k = 0.2500 0.2500 0.2850 ( 14164 PWs) bands (ev): -71.7968 -71.7968 -71.7963 -71.7963 -41.5816 -41.5816 -41.5755 -41.5755 -40.4387 -40.4387 -40.4285 -40.4285 -40.2982 -40.2982 -40.2971 -40.2971 -24.4686 -24.4686 -24.4609 -24.4609 -8.2074 -8.2074 -8.1790 -8.1790 -7.9719 -7.9719 -7.9348 -7.9348 -7.9037 -7.9037 -7.8663 -7.8663 -2.5679 -2.5679 -2.2021 -2.2021 3.1242 3.1242 3.5551 3.5551 3.7825 3.7825 4.2969 4.2969 4.5238 4.5238 4.8417 4.8417 5.5700 5.5700 6.0975 6.0975 6.1399 6.1399 6.1927 6.1927 6.3763 6.3763 6.4746 6.4746 7.0718 7.0718 7.1129 7.1129 7.2549 7.2549 7.7125 7.7125 8.7515 8.7515 k = 0.2396 0.2396 0.2850 ( 14180 PWs) bands (ev): -71.7971 -71.7971 -71.7971 -71.7971 -41.5818 -41.5818 -41.5753 -41.5753 -40.4390 -40.4390 -40.4282 -40.4282 -40.2983 -40.2983 -40.2970 -40.2970 -24.4690 -24.4690 -24.4608 -24.4608 -8.2072 -8.2072 -8.1768 -8.1768 -7.9708 -7.9708 -7.9342 -7.9342 -7.9030 -7.9030 -7.8660 -7.8660 -2.5960 -2.5960 -2.2095 -2.2095 3.1481 3.1481 3.5997 3.5997 3.7807 3.7807 4.2785 4.2785 4.5258 4.5258 4.8434 4.8434 5.5558 5.5558 6.1266 6.1266 6.1607 6.1607 6.2083 6.2083 6.3842 6.3842 6.4745 6.4745 7.0925 7.0925 7.1350 7.1350 7.2523 7.2523 7.7313 7.7313 8.7867 8.7867 k = 0.2292 0.2292 0.2850 ( 14204 PWs) bands (ev): -71.7983 -71.7983 -71.7976 -71.7976 -41.5820 -41.5820 -41.5751 -41.5751 -40.4393 -40.4393 -40.4278 -40.4278 -40.2983 -40.2983 -40.2970 -40.2970 -24.4694 -24.4694 -24.4607 -24.4607 -8.2070 -8.2070 -8.1746 -8.1746 -7.9695 -7.9695 -7.9337 -7.9337 -7.9021 -7.9021 -7.8657 -7.8657 -2.6239 -2.6239 -2.2172 -2.2172 3.1705 3.1705 3.6327 3.6327 3.7937 3.7937 4.2634 4.2634 4.5288 4.5288 4.8451 4.8451 5.5414 5.5414 6.1506 6.1506 6.1754 6.1754 6.2247 6.2247 6.3930 6.3930 6.4731 6.4731 7.1025 7.1025 7.1655 7.1655 7.2476 7.2476 7.7519 7.7519 8.8301 8.8301 k = 0.2188 0.2187 0.2850 ( 14188 PWs) bands (ev): -71.7981 -71.7981 -71.7967 -71.7967 -41.5822 -41.5822 -41.5749 -41.5749 -40.4396 -40.4396 -40.4275 -40.4275 -40.2984 -40.2984 -40.2970 -40.2970 -24.4698 -24.4698 -24.4605 -24.4605 -8.2068 -8.2068 -8.1723 -8.1723 -7.9682 -7.9682 -7.9333 -7.9333 -7.9011 -7.9011 -7.8656 -7.8656 -2.6515 -2.6515 -2.2253 -2.2253 3.1909 3.1909 3.6500 3.6500 3.8262 3.8262 4.2523 4.2523 4.5326 4.5326 4.8487 4.8487 5.5288 5.5288 6.1806 6.1806 6.1964 6.1964 6.2431 6.2431 6.4056 6.4056 6.4784 6.4784 7.1063 7.1063 7.2034 7.2034 7.2457 7.2457 7.7747 7.7747 8.8819 8.8819 k = 0.2083 0.2083 0.2850 ( 14206 PWs) bands (ev): -71.7988 -71.7988 -71.7972 -71.7972 -41.5824 -41.5824 -41.5747 -41.5747 -40.4399 -40.4399 -40.4272 -40.4272 -40.2984 -40.2984 -40.2970 -40.2970 -24.4702 -24.4702 -24.4604 -24.4604 -8.2065 -8.2065 -8.1700 -8.1700 -7.9668 -7.9668 -7.9330 -7.9330 -7.8999 -7.8999 -7.8655 -7.8655 -2.6788 -2.6788 -2.2338 -2.2338 3.2084 3.2084 3.6550 3.6550 3.8735 3.8735 4.2439 4.2439 4.5346 4.5346 4.8505 4.8505 5.5120 5.5120 6.2046 6.2046 6.2152 6.2152 6.2592 6.2592 6.4160 6.4160 6.4831 6.4831 7.1004 7.1004 7.2392 7.2392 7.2455 7.2455 7.7949 7.7949 8.9406 8.9406 k = 0.1979 0.1979 0.2850 ( 14216 PWs) bands (ev): -71.7996 -71.7996 -71.7971 -71.7971 -41.5826 -41.5826 -41.5745 -41.5745 -40.4402 -40.4402 -40.4269 -40.4269 -40.2985 -40.2985 -40.2970 -40.2970 -24.4705 -24.4705 -24.4603 -24.4603 -8.2063 -8.2063 -8.1677 -8.1677 -7.9653 -7.9653 -7.9327 -7.9327 -7.8987 -7.8987 -7.8656 -7.8656 -2.7055 -2.7055 -2.2425 -2.2425 3.2228 3.2228 3.6544 3.6544 3.9290 3.9290 4.2403 4.2403 4.5369 4.5369 4.8536 4.8536 5.4963 5.4963 6.2211 6.2211 6.2419 6.2419 6.2744 6.2744 6.4274 6.4274 6.4894 6.4894 7.0912 7.0912 7.2382 7.2382 7.2808 7.2808 7.8186 7.8186 9.0062 9.0062 k = 0.1875 0.1875 0.2850 ( 14210 PWs) bands (ev): -71.7995 -71.7995 -71.7968 -71.7968 -41.5828 -41.5828 -41.5743 -41.5743 -40.4405 -40.4405 -40.4265 -40.4265 -40.2985 -40.2985 -40.2969 -40.2969 -24.4709 -24.4709 -24.4602 -24.4602 -8.2059 -8.2059 -8.1654 -8.1654 -7.9638 -7.9638 -7.9325 -7.9325 -7.8974 -7.8974 -7.8657 -7.8657 -2.7316 -2.7316 -2.2514 -2.2514 3.2341 3.2341 3.6521 3.6521 3.9887 3.9887 4.2414 4.2414 4.5403 4.5403 4.8573 4.8573 5.4831 5.4831 6.2331 6.2331 6.2711 6.2711 6.2927 6.2927 6.4411 6.4411 6.4993 6.4993 7.0785 7.0785 7.2339 7.2339 7.3247 7.3247 7.8443 7.8443 9.0775 9.0775 k = 0.1771 0.1771 0.2850 ( 14218 PWs) bands (ev): -71.8001 -71.8001 -71.7967 -71.7967 -41.5829 -41.5829 -41.5741 -41.5741 -40.4408 -40.4408 -40.4262 -40.4262 -40.2985 -40.2985 -40.2969 -40.2969 -24.4712 -24.4712 -24.4601 -24.4601 -8.2056 -8.2056 -8.1632 -8.1632 -7.9622 -7.9622 -7.9324 -7.9324 -7.8960 -7.8960 -7.8660 -7.8660 -2.7570 -2.7570 -2.2605 -2.2605 3.2418 3.2418 3.6495 3.6495 4.0501 4.0501 4.2465 4.2465 4.5430 4.5430 4.8613 4.8613 5.4694 5.4694 6.2416 6.2416 6.2945 6.2945 6.3145 6.3145 6.4505 6.4505 6.5097 6.5097 7.0623 7.0623 7.2282 7.2282 7.3688 7.3688 7.8703 7.8703 9.1532 9.1532 k = 0.1667 0.1667 0.2850 ( 14226 PWs) bands (ev): -71.8005 -71.8005 -71.7969 -71.7969 -41.5831 -41.5831 -41.5740 -41.5740 -40.4411 -40.4411 -40.4259 -40.4259 -40.2986 -40.2986 -40.2969 -40.2969 -24.4716 -24.4716 -24.4600 -24.4600 -8.2053 -8.2053 -8.1610 -8.1610 -7.9606 -7.9606 -7.9324 -7.9324 -7.8945 -7.8945 -7.8663 -7.8663 -2.7815 -2.7815 -2.2696 -2.2696 3.2461 3.2461 3.6477 3.6477 4.1120 4.1120 4.2566 4.2566 4.5456 4.5456 4.8661 4.8661 5.4552 5.4552 6.2444 6.2444 6.3095 6.3095 6.3418 6.3418 6.4648 6.4648 6.5229 6.5229 7.0440 7.0440 7.2198 7.2198 7.4149 7.4149 7.8988 7.8988 9.2322 9.2322 k = 0.1562 0.1562 0.2850 ( 14230 PWs) bands (ev): -71.8008 -71.8008 -71.7968 -71.7968 -41.5833 -41.5833 -41.5738 -41.5738 -40.4413 -40.4413 -40.4257 -40.4257 -40.2986 -40.2986 -40.2969 -40.2969 -24.4719 -24.4719 -24.4599 -24.4599 -8.2049 -8.2049 -8.1588 -8.1588 -7.9590 -7.9590 -7.9323 -7.9323 -7.8930 -7.8930 -7.8667 -7.8667 -2.8050 -2.8050 -2.2787 -2.2787 3.2475 3.2475 3.6463 3.6463 4.1721 4.1721 4.2721 4.2721 4.5486 4.5486 4.8710 4.8710 5.4397 5.4397 6.2468 6.2468 6.3230 6.3230 6.3726 6.3726 6.4796 6.4796 6.5381 6.5381 7.0229 7.0229 7.2125 7.2125 7.4635 7.4635 7.9289 7.9289 9.3123 9.3123 k = 0.1458 0.1458 0.2850 ( 14242 PWs) bands (ev): -71.8009 -71.8009 -71.7976 -71.7976 -41.5834 -41.5834 -41.5736 -41.5736 -40.4416 -40.4416 -40.4254 -40.4254 -40.2987 -40.2987 -40.2968 -40.2968 -24.4722 -24.4722 -24.4598 -24.4598 -8.2045 -8.2045 -8.1567 -8.1567 -7.9574 -7.9574 -7.9324 -7.9324 -7.8915 -7.8915 -7.8671 -7.8671 -2.8275 -2.8275 -2.2878 -2.2878 3.2460 3.2460 3.6454 3.6454 4.2264 4.2264 4.2956 4.2956 4.5510 4.5510 4.8761 4.8761 5.4272 5.4272 6.2443 6.2443 6.3332 6.3332 6.4050 6.4050 6.4932 6.4932 6.5542 6.5542 6.9997 6.9997 7.2024 7.2024 7.5128 7.5128 7.9607 7.9607 9.3909 9.3909 k = 0.1354 0.1354 0.2850 ( 14226 PWs) bands (ev): -71.7996 -71.7996 -71.7978 -71.7978 -41.5836 -41.5836 -41.5734 -41.5734 -40.4419 -40.4419 -40.4251 -40.4251 -40.2987 -40.2987 -40.2968 -40.2968 -24.4725 -24.4725 -24.4597 -24.4597 -8.2041 -8.2041 -8.1547 -8.1547 -7.9558 -7.9558 -7.9324 -7.9324 -7.8900 -7.8900 -7.8677 -7.8677 -2.8489 -2.8489 -2.2966 -2.2966 3.2422 3.2422 3.6456 3.6456 4.2679 4.2679 4.3338 4.3338 4.5538 4.5538 4.8831 4.8831 5.4167 5.4167 6.2426 6.2426 6.3437 6.3437 6.4414 6.4414 6.5143 6.5143 6.5753 6.5753 6.9780 6.9780 7.1930 7.1930 7.5646 7.5646 7.9949 7.9949 9.4645 9.4645 k = 0.1250 0.1250 0.2850 ( 14218 PWs) bands (ev): -71.7988 -71.7988 -71.7980 -71.7980 -41.5837 -41.5837 -41.5733 -41.5733 -40.4421 -40.4421 -40.4248 -40.4248 -40.2987 -40.2987 -40.2967 -40.2967 -24.4728 -24.4728 -24.4596 -24.4596 -8.2037 -8.2037 -8.1527 -8.1527 -7.9543 -7.9543 -7.9325 -7.9325 -7.8885 -7.8885 -7.8682 -7.8682 -2.8690 -2.8690 -2.3052 -2.3052 3.2368 3.2368 3.6460 3.6460 4.2966 4.2966 4.3846 4.3846 4.5577 4.5577 4.8904 4.8904 5.4062 5.4062 6.2387 6.2387 6.3544 6.3544 6.4755 6.4755 6.5305 6.5305 6.5952 6.5952 6.9543 6.9543 7.1835 7.1835 7.6192 7.6192 8.0313 8.0313 9.5234 9.5234 k = 0.1146 0.1146 0.2850 ( 14218 PWs) bands (ev): -71.7987 -71.7987 -71.7982 -71.7982 -41.5839 -41.5839 -41.5731 -41.5731 -40.4423 -40.4423 -40.4246 -40.4246 -40.2988 -40.2988 -40.2967 -40.2967 -24.4731 -24.4731 -24.4595 -24.4595 -8.2033 -8.2033 -8.1509 -8.1509 -7.9528 -7.9528 -7.9326 -7.9326 -7.8870 -7.8870 -7.8688 -7.8688 -2.8878 -2.8878 -2.3135 -2.3135 3.2299 3.2299 3.6470 3.6470 4.3198 4.3198 4.4389 4.4389 4.5615 4.5615 4.8986 4.8986 5.3933 5.3933 6.2341 6.2341 6.3627 6.3627 6.5043 6.5043 6.5475 6.5475 6.6172 6.6172 6.9301 6.9301 7.1732 7.1732 7.6748 7.6748 8.0691 8.0691 9.5383 9.5383 k = 0.1042 0.1042 0.2850 ( 14220 PWs) bands (ev): -71.7989 -71.7989 -71.7982 -71.7982 -41.5840 -41.5840 -41.5730 -41.5730 -40.4425 -40.4425 -40.4243 -40.4243 -40.2988 -40.2988 -40.2967 -40.2967 -24.4733 -24.4733 -24.4594 -24.4594 -8.2029 -8.2029 -8.1492 -8.1492 -7.9513 -7.9513 -7.9327 -7.9327 -7.8856 -7.8856 -7.8695 -7.8695 -2.9052 -2.9052 -2.3214 -2.3214 3.2219 3.2219 3.6486 3.6486 4.3403 4.3403 4.4913 4.4913 4.5673 4.5673 4.9080 4.9080 5.3808 5.3808 6.2286 6.2286 6.3689 6.3689 6.5308 6.5308 6.5633 6.5633 6.6393 6.6393 6.9064 6.9064 7.1625 7.1625 7.7336 7.7336 8.1068 8.1068 9.4812 9.4812 k = 0.0938 0.0937 0.2850 ( 14228 PWs) bands (ev): -71.7992 -71.7992 -71.7984 -71.7984 -41.5841 -41.5841 -41.5729 -41.5729 -40.4427 -40.4427 -40.4242 -40.4242 -40.2988 -40.2988 -40.2966 -40.2966 -24.4735 -24.4735 -24.4594 -24.4594 -8.2025 -8.2025 -8.1476 -8.1476 -7.9499 -7.9499 -7.9328 -7.9328 -7.8843 -7.8843 -7.8701 -7.8701 -2.9212 -2.9212 -2.3287 -2.3287 3.2135 3.2135 3.6505 3.6505 4.3599 4.3599 4.5378 4.5378 4.5763 4.5763 4.9190 4.9190 5.3684 5.3684 6.2200 6.2200 6.3745 6.3745 6.5544 6.5544 6.5795 6.5795 6.6579 6.6579 6.8837 6.8837 7.1485 7.1485 7.7939 7.7939 8.1472 8.1472 9.3935 9.3935 k = 0.0833 0.0833 0.2850 ( 14224 PWs) bands (ev): -71.7993 -71.7993 -71.7981 -71.7981 -41.5842 -41.5842 -41.5728 -41.5728 -40.4429 -40.4429 -40.4240 -40.4240 -40.2988 -40.2988 -40.2966 -40.2966 -24.4737 -24.4737 -24.4593 -24.4593 -8.2021 -8.2021 -8.1461 -8.1461 -7.9487 -7.9487 -7.9329 -7.9329 -7.8830 -7.8830 -7.8707 -7.8707 -2.9357 -2.9357 -2.3355 -2.3355 3.2050 3.2050 3.6526 3.6526 4.3778 4.3778 4.5663 4.5663 4.6000 4.6000 4.9317 4.9317 5.3586 5.3586 6.2122 6.2122 6.3795 6.3795 6.5730 6.5730 6.5983 6.5983 6.6787 6.6787 6.8623 6.8623 7.1400 7.1400 7.8565 7.8565 8.1879 8.1879 9.2987 9.2987 k = 0.0729 0.0729 0.2850 ( 14230 PWs) bands (ev): -71.7995 -71.7995 -71.7983 -71.7983 -41.5843 -41.5843 -41.5727 -41.5727 -40.4430 -40.4430 -40.4238 -40.4238 -40.2989 -40.2989 -40.2966 -40.2966 -24.4739 -24.4739 -24.4592 -24.4592 -8.2018 -8.2018 -8.1448 -8.1448 -7.9475 -7.9475 -7.9330 -7.9330 -7.8819 -7.8819 -7.8713 -7.8713 -2.9486 -2.9486 -2.3417 -2.3417 3.1969 3.1969 3.6546 3.6546 4.3933 4.3933 4.5763 4.5763 4.6357 4.6357 4.9462 4.9462 5.3489 5.3489 6.2040 6.2040 6.3832 6.3832 6.5859 6.5859 6.6188 6.6188 6.6990 6.6990 6.8424 6.8424 7.1265 7.1265 7.9187 7.9187 8.2289 8.2289 9.2013 9.2013 k = 0.0625 0.0625 0.2850 ( 14224 PWs) bands (ev): -71.7989 -71.7989 -71.7986 -71.7986 -41.5844 -41.5844 -41.5726 -41.5726 -40.4432 -40.4432 -40.4237 -40.4237 -40.2989 -40.2989 -40.2966 -40.2966 -24.4741 -24.4741 -24.4592 -24.4592 -8.2015 -8.2015 -8.1437 -8.1437 -7.9464 -7.9464 -7.9331 -7.9331 -7.8809 -7.8809 -7.8719 -7.8719 -2.9598 -2.9598 -2.3472 -2.3472 3.1893 3.1893 3.6565 3.6565 4.4062 4.4062 4.5829 4.5829 4.6690 4.6690 4.9623 4.9623 5.3433 5.3433 6.1987 6.1987 6.3878 6.3878 6.5986 6.5986 6.6405 6.6405 6.7189 6.7189 6.8251 6.8251 7.1112 7.1112 7.9815 7.9815 8.2691 8.2691 9.1043 9.1043 k = 0.0521 0.0521 0.2850 ( 14224 PWs) bands (ev): -71.7989 -71.7989 -71.7986 -71.7986 -41.5845 -41.5845 -41.5725 -41.5725 -40.4433 -40.4433 -40.4235 -40.4235 -40.2989 -40.2989 -40.2965 -40.2965 -24.4742 -24.4742 -24.4591 -24.4591 -8.2012 -8.2012 -8.1427 -8.1427 -7.9455 -7.9455 -7.9332 -7.9332 -7.8800 -7.8800 -7.8724 -7.8724 -2.9694 -2.9694 -2.3520 -2.3520 3.1825 3.1825 3.6586 3.6586 4.4173 4.4173 4.5898 4.5898 4.6966 4.6966 4.9791 4.9791 5.3368 5.3368 6.1907 6.1907 6.3905 6.3905 6.6062 6.6062 6.6595 6.6595 6.7351 6.7351 6.8105 6.8105 7.0983 7.0983 8.0455 8.0455 8.3093 8.3093 9.0095 9.0095 k = 0.0417 0.0417 0.2850 ( 14234 PWs) bands (ev): -71.7996 -71.7996 -71.7986 -71.7986 -41.5845 -41.5845 -41.5725 -41.5725 -40.4434 -40.4434 -40.4235 -40.4235 -40.2989 -40.2989 -40.2966 -40.2966 -24.4743 -24.4743 -24.4591 -24.4591 -8.2010 -8.2010 -8.1418 -8.1418 -7.9448 -7.9448 -7.9332 -7.9332 -7.8793 -7.8793 -7.8728 -7.8728 -2.9774 -2.9774 -2.3559 -2.3559 3.1765 3.1765 3.6599 3.6599 4.4265 4.4265 4.5970 4.5970 4.7180 4.7180 4.9951 4.9951 5.3292 5.3292 6.1823 6.1823 6.3908 6.3908 6.6101 6.6101 6.6748 6.6748 6.7468 6.7468 6.7973 6.7973 7.0869 7.0869 8.1084 8.1084 8.3494 8.3494 8.9180 8.9180 k = 0.0312 0.0312 0.2850 ( 14238 PWs) bands (ev): -71.7997 -71.7997 -71.7988 -71.7988 -41.5846 -41.5846 -41.5724 -41.5724 -40.4435 -40.4435 -40.4234 -40.4234 -40.2989 -40.2989 -40.2965 -40.2965 -24.4744 -24.4744 -24.4591 -24.4591 -8.2008 -8.2008 -8.1412 -8.1412 -7.9441 -7.9441 -7.9333 -7.9333 -7.8788 -7.8788 -7.8731 -7.8731 -2.9836 -2.9836 -2.3591 -2.3591 3.1718 3.1718 3.6609 3.6609 4.4328 4.4328 4.6020 4.6020 4.7339 4.7339 5.0098 5.0098 5.3246 5.3246 6.1758 6.1758 6.3926 6.3926 6.6157 6.6157 6.6894 6.6894 6.7515 6.7515 6.7921 6.7921 7.0765 7.0765 8.1646 8.1646 8.3893 8.3893 8.8300 8.8300 k = 0.0208 0.0208 0.2850 ( 14240 PWs) bands (ev): -71.7998 -71.7998 -71.7988 -71.7988 -41.5846 -41.5846 -41.5724 -41.5724 -40.4435 -40.4435 -40.4233 -40.4233 -40.2989 -40.2989 -40.2965 -40.2965 -24.4745 -24.4745 -24.4591 -24.4591 -8.2007 -8.2007 -8.1407 -8.1407 -7.9437 -7.9437 -7.9333 -7.9333 -7.8784 -7.8784 -7.8733 -7.8733 -2.9880 -2.9880 -2.3613 -2.3613 3.1684 3.1684 3.6613 3.6613 4.4372 4.4372 4.6060 4.6060 4.7447 4.7447 5.0215 5.0215 5.3208 5.3208 6.1733 6.1733 6.3940 6.3940 6.6175 6.6175 6.7018 6.7018 6.7474 6.7474 6.7940 6.7940 7.0686 7.0686 8.2107 8.2107 8.4316 8.4316 8.7487 8.7487 k = 0.0104 0.0104 0.2850 ( 14248 PWs) bands (ev): -71.8007 -71.8007 -71.7985 -71.7985 -41.5846 -41.5846 -41.5724 -41.5724 -40.4435 -40.4435 -40.4233 -40.4233 -40.2989 -40.2989 -40.2966 -40.2966 -24.4745 -24.4745 -24.4590 -24.4590 -8.2006 -8.2006 -8.1404 -8.1404 -7.9434 -7.9434 -7.9333 -7.9333 -7.8782 -7.8782 -7.8734 -7.8734 -2.9907 -2.9907 -2.3627 -2.3627 3.1663 3.1663 3.6618 3.6618 4.4401 4.4401 4.6089 4.6089 4.7506 4.7506 5.0285 5.0285 5.3181 5.3181 6.1709 6.1709 6.3940 6.3940 6.6142 6.6142 6.7114 6.7114 6.7382 6.7382 6.7949 6.7949 7.0677 7.0677 8.2413 8.2413 8.4750 8.4750 8.6802 8.6802 k = 0.0000 0.0000 0.2850 ( 14260 PWs) bands (ev): -71.8007 -71.8007 -71.7993 -71.7993 -41.5847 -41.5847 -41.5724 -41.5724 -40.4436 -40.4436 -40.4233 -40.4233 -40.2989 -40.2989 -40.2965 -40.2965 -24.4745 -24.4745 -24.4590 -24.4590 -8.2006 -8.2006 -8.1403 -8.1403 -7.9434 -7.9434 -7.9333 -7.9333 -7.8781 -7.8781 -7.8735 -7.8735 -2.9916 -2.9916 -2.3632 -2.3632 3.1656 3.1656 3.6605 3.6605 4.4408 4.4408 4.6097 4.6097 4.7527 4.7527 5.0311 5.0311 5.3174 5.3174 6.1672 6.1672 6.3942 6.3942 6.6149 6.6149 6.7146 6.7146 6.7334 6.7334 6.7963 6.7963 7.0622 7.0622 8.2517 8.2517 8.4987 8.4987 8.6476 8.6476 k = 0.0000 0.5000-0.0000 ( 14192 PWs) bands (ev): -71.7976 -71.7976 -71.7976 -71.7976 -41.5786 -41.5786 -41.5786 -41.5786 -40.4335 -40.4335 -40.4335 -40.4335 -40.2978 -40.2978 -40.2978 -40.2978 -24.4648 -24.4648 -24.4648 -24.4648 -8.2031 -8.2031 -8.2031 -8.2031 -7.9570 -7.9570 -7.9570 -7.9570 -7.8773 -7.8773 -7.8773 -7.8773 -2.3491 -2.3491 -2.3491 -2.3491 3.0740 3.0740 3.0740 3.0740 4.3179 4.3179 4.3179 4.3179 4.6539 4.6539 4.6539 4.6539 5.9537 5.9537 5.9537 5.9537 6.0654 6.0654 6.0654 6.0654 6.2732 6.2732 6.2732 6.2732 6.9594 6.9594 6.9594 6.9594 7.7442 7.7442 7.7442 7.7442 9.9207 9.9207 k = 0.0000 0.5000 0.0143 ( 14196 PWs) bands (ev): -71.7977 -71.7977 -71.7977 -71.7977 -41.5786 -41.5786 -41.5786 -41.5786 -40.4335 -40.4335 -40.4335 -40.4335 -40.2978 -40.2978 -40.2978 -40.2978 -24.4648 -24.4648 -24.4648 -24.4648 -8.2031 -8.2031 -8.2031 -8.2031 -7.9570 -7.9570 -7.9570 -7.9570 -7.8773 -7.8773 -7.8773 -7.8773 -2.3490 -2.3490 -2.3490 -2.3490 3.0727 3.0727 3.0727 3.0727 4.3191 4.3191 4.3191 4.3191 4.6535 4.6535 4.6535 4.6535 5.9532 5.9532 5.9532 5.9532 6.0661 6.0661 6.0661 6.0661 6.2717 6.2717 6.2717 6.2717 6.9618 6.9618 6.9618 6.9618 7.7429 7.7429 7.7429 7.7429 9.8896 9.8896 k = 0.0000 0.5000 0.0285 ( 14196 PWs) bands (ev): -71.7977 -71.7977 -71.7977 -71.7977 -41.5786 -41.5786 -41.5786 -41.5786 -40.4335 -40.4335 -40.4335 -40.4335 -40.2978 -40.2978 -40.2978 -40.2978 -24.4648 -24.4648 -24.4648 -24.4648 -8.2031 -8.2031 -8.2031 -8.2031 -7.9570 -7.9570 -7.9570 -7.9570 -7.8773 -7.8773 -7.8773 -7.8773 -2.3487 -2.3487 -2.3487 -2.3487 3.0688 3.0688 3.0688 3.0688 4.3226 4.3226 4.3226 4.3226 4.6541 4.6541 4.6541 4.6541 5.9534 5.9534 5.9534 5.9534 6.0659 6.0659 6.0659 6.0659 6.2719 6.2719 6.2719 6.2719 6.9663 6.9663 6.9663 6.9663 7.7425 7.7425 7.7425 7.7425 9.8199 9.8199 k = 0.0000 0.5000 0.0428 ( 14176 PWs) bands (ev): -71.7971 -71.7971 -71.7971 -71.7971 -41.5785 -41.5785 -41.5785 -41.5785 -40.4335 -40.4335 -40.4335 -40.4335 -40.2977 -40.2977 -40.2977 -40.2977 -24.4648 -24.4648 -24.4648 -24.4648 -8.2031 -8.2031 -8.2031 -8.2031 -7.9571 -7.9571 -7.9571 -7.9571 -7.8772 -7.8772 -7.8772 -7.8772 -2.3483 -2.3483 -2.3483 -2.3483 3.0625 3.0625 3.0625 3.0625 4.3287 4.3287 4.3287 4.3287 4.6554 4.6554 4.6554 4.6554 5.9553 5.9553 5.9553 5.9553 6.0690 6.0690 6.0690 6.0690 6.2725 6.2725 6.2725 6.2725 6.9767 6.9767 6.9767 6.9767 7.7427 7.7427 7.7427 7.7427 9.7359 9.7359 k = 0.0000 0.5000 0.0570 ( 14176 PWs) bands (ev): -71.7971 -71.7971 -71.7971 -71.7971 -41.5785 -41.5785 -41.5785 -41.5785 -40.4335 -40.4335 -40.4335 -40.4335 -40.2977 -40.2977 -40.2977 -40.2977 -24.4648 -24.4648 -24.4648 -24.4648 -8.2032 -8.2032 -8.2032 -8.2032 -7.9571 -7.9571 -7.9571 -7.9571 -7.8771 -7.8771 -7.8771 -7.8771 -2.3477 -2.3477 -2.3477 -2.3477 3.0538 3.0538 3.0538 3.0538 4.3364 4.3364 4.3364 4.3364 4.6562 4.6562 4.6562 4.6562 5.9553 5.9553 5.9553 5.9553 6.0704 6.0704 6.0704 6.0704 6.2713 6.2713 6.2713 6.2713 6.9888 6.9888 6.9888 6.9888 7.7406 7.7406 7.7406 7.7406 9.6451 9.6451 k = 0.0000 0.5000 0.0713 ( 14174 PWs) bands (ev): -71.7970 -71.7970 -71.7970 -71.7970 -41.5785 -41.5785 -41.5785 -41.5785 -40.4335 -40.4335 -40.4335 -40.4335 -40.2977 -40.2977 -40.2977 -40.2977 -24.4648 -24.4648 -24.4648 -24.4648 -8.2033 -8.2033 -8.2033 -8.2033 -7.9571 -7.9571 -7.9571 -7.9571 -7.8770 -7.8770 -7.8770 -7.8770 -2.3470 -2.3470 -2.3470 -2.3470 3.0433 3.0433 3.0433 3.0433 4.3458 4.3458 4.3458 4.3458 4.6572 4.6572 4.6572 4.6572 5.9554 5.9554 5.9554 5.9554 6.0724 6.0724 6.0724 6.0724 6.2702 6.2702 6.2702 6.2702 7.0044 7.0044 7.0044 7.0044 7.7383 7.7383 7.7383 7.7383 9.5514 9.5514 k = 0.0000 0.5000 0.0855 ( 14190 PWs) bands (ev): -71.7975 -71.7975 -71.7975 -71.7975 -41.5786 -41.5786 -41.5786 -41.5786 -40.4335 -40.4335 -40.4335 -40.4335 -40.2977 -40.2977 -40.2977 -40.2977 -24.4648 -24.4648 -24.4648 -24.4648 -8.2034 -8.2034 -8.2034 -8.2034 -7.9572 -7.9572 -7.9572 -7.9572 -7.8769 -7.8769 -7.8769 -7.8769 -2.3462 -2.3462 -2.3462 -2.3462 3.0311 3.0311 3.0311 3.0311 4.3560 4.3560 4.3560 4.3560 4.6579 4.6579 4.6579 4.6579 5.9546 5.9546 5.9546 5.9546 6.0726 6.0726 6.0726 6.0726 6.2673 6.2673 6.2673 6.2673 7.0212 7.0212 7.0212 7.0212 7.7342 7.7342 7.7342 7.7342 9.4568 9.4568 k = 0.0000 0.5000 0.0998 ( 14196 PWs) bands (ev): -71.7977 -71.7977 -71.7977 -71.7977 -41.5786 -41.5786 -41.5786 -41.5786 -40.4335 -40.4335 -40.4335 -40.4335 -40.2978 -40.2978 -40.2978 -40.2978 -24.4648 -24.4648 -24.4648 -24.4648 -8.2034 -8.2034 -8.2034 -8.2034 -7.9573 -7.9573 -7.9573 -7.9573 -7.8768 -7.8768 -7.8768 -7.8768 -2.3453 -2.3453 -2.3453 -2.3453 3.0177 3.0177 3.0177 3.0177 4.3671 4.3671 4.3671 4.3671 4.6595 4.6595 4.6595 4.6595 5.9551 5.9551 5.9551 5.9551 6.0744 6.0744 6.0744 6.0744 6.2635 6.2635 6.2635 6.2635 7.0414 7.0414 7.0414 7.0414 7.7316 7.7316 7.7316 7.7316 9.3629 9.3629 k = 0.0000 0.5000 0.1140 ( 14188 PWs) bands (ev): -71.7975 -71.7975 -71.7975 -71.7975 -41.5785 -41.5785 -41.5785 -41.5785 -40.4335 -40.4335 -40.4335 -40.4335 -40.2977 -40.2977 -40.2977 -40.2977 -24.4648 -24.4648 -24.4648 -24.4648 -8.2035 -8.2035 -8.2035 -8.2035 -7.9574 -7.9574 -7.9574 -7.9574 -7.8767 -7.8767 -7.8767 -7.8767 -2.3443 -2.3443 -2.3443 -2.3443 3.0036 3.0036 3.0036 3.0036 4.3794 4.3794 4.3794 4.3794 4.6617 4.6617 4.6617 4.6617 5.9559 5.9559 5.9559 5.9559 6.0775 6.0775 6.0775 6.0775 6.2624 6.2624 6.2624 6.2624 7.0658 7.0658 7.0658 7.0658 7.7290 7.7290 7.7290 7.7290 9.2707 9.2707 k = 0.0000 0.5000 0.1283 ( 14168 PWs) bands (ev): -71.7968 -71.7968 -71.7968 -71.7968 -41.5785 -41.5785 -41.5785 -41.5785 -40.4335 -40.4335 -40.4335 -40.4335 -40.2977 -40.2977 -40.2977 -40.2977 -24.4648 -24.4648 -24.4648 -24.4648 -8.2036 -8.2036 -8.2036 -8.2036 -7.9574 -7.9574 -7.9574 -7.9574 -7.8765 -7.8765 -7.8765 -7.8765 -2.3432 -2.3432 -2.3432 -2.3432 2.9891 2.9891 2.9891 2.9891 4.3921 4.3921 4.3921 4.3921 4.6644 4.6644 4.6644 4.6644 5.9582 5.9582 5.9582 5.9582 6.0822 6.0822 6.0822 6.0822 6.2615 6.2615 6.2615 6.2615 7.0938 7.0938 7.0938 7.0938 7.7270 7.7270 7.7270 7.7270 9.1810 9.1810 k = 0.0000 0.5000 0.1425 ( 14184 PWs) bands (ev): -71.7973 -71.7973 -71.7973 -71.7973 -41.5785 -41.5785 -41.5785 -41.5785 -40.4335 -40.4335 -40.4335 -40.4335 -40.2977 -40.2977 -40.2977 -40.2977 -24.4648 -24.4648 -24.4648 -24.4648 -8.2038 -8.2038 -8.2038 -8.2038 -7.9575 -7.9575 -7.9575 -7.9575 -7.8764 -7.8764 -7.8764 -7.8764 -2.3421 -2.3421 -2.3421 -2.3421 2.9744 2.9744 2.9744 2.9744 4.4035 4.4035 4.4035 4.4035 4.6662 4.6662 4.6662 4.6662 5.9579 5.9579 5.9579 5.9579 6.0839 6.0839 6.0839 6.0839 6.2566 6.2566 6.2566 6.2566 7.1205 7.1205 7.1205 7.1205 7.7229 7.7229 7.7229 7.7229 9.0938 9.0938 k = 0.0000 0.5000 0.1568 ( 14174 PWs) bands (ev): -71.7970 -71.7970 -71.7970 -71.7970 -41.5785 -41.5785 -41.5785 -41.5785 -40.4335 -40.4335 -40.4335 -40.4335 -40.2977 -40.2977 -40.2977 -40.2977 -24.4648 -24.4648 -24.4648 -24.4648 -8.2039 -8.2039 -8.2039 -8.2039 -7.9576 -7.9576 -7.9576 -7.9576 -7.8762 -7.8762 -7.8762 -7.8762 -2.3411 -2.3411 -2.3411 -2.3411 2.9601 2.9601 2.9601 2.9601 4.4151 4.4151 4.4151 4.4151 4.6692 4.6692 4.6692 4.6692 5.9599 5.9599 5.9599 5.9599 6.0880 6.0880 6.0880 6.0880 6.2534 6.2534 6.2534 6.2534 7.1509 7.1509 7.1509 7.1509 7.7212 7.7212 7.7212 7.7212 9.0105 9.0105 k = 0.0000 0.5000 0.1710 ( 14158 PWs) bands (ev): -71.7964 -71.7964 -71.7964 -71.7964 -41.5785 -41.5785 -41.5785 -41.5785 -40.4335 -40.4335 -40.4335 -40.4335 -40.2977 -40.2977 -40.2977 -40.2977 -24.4648 -24.4648 -24.4648 -24.4648 -8.2040 -8.2040 -8.2040 -8.2040 -7.9577 -7.9577 -7.9577 -7.9577 -7.8761 -7.8761 -7.8761 -7.8761 -2.3400 -2.3400 -2.3400 -2.3400 2.9465 2.9465 2.9465 2.9465 4.4262 4.4262 4.4262 4.4262 4.6722 4.6722 4.6722 4.6722 5.9616 5.9616 5.9616 5.9616 6.0924 6.0924 6.0924 6.0924 6.2527 6.2527 6.2527 6.2527 7.1832 7.1832 7.1832 7.1832 7.7189 7.7189 7.7189 7.7189 8.9318 8.9318 k = 0.0000 0.5000 0.1853 ( 14164 PWs) bands (ev): -71.7966 -71.7966 -71.7966 -71.7966 -41.5785 -41.5785 -41.5785 -41.5785 -40.4335 -40.4335 -40.4335 -40.4335 -40.2977 -40.2977 -40.2977 -40.2977 -24.4648 -24.4648 -24.4648 -24.4648 -8.2041 -8.2041 -8.2041 -8.2041 -7.9578 -7.9578 -7.9578 -7.9578 -7.8759 -7.8759 -7.8759 -7.8759 -2.3390 -2.3390 -2.3390 -2.3390 2.9337 2.9337 2.9337 2.9337 4.4358 4.4358 4.4358 4.4358 4.6746 4.6746 4.6746 4.6746 5.9617 5.9617 5.9617 5.9617 6.0947 6.0947 6.0947 6.0947 6.2493 6.2493 6.2493 6.2493 7.2137 7.2137 7.2137 7.2137 7.7158 7.7158 7.7158 7.7158 8.8577 8.8577 k = 0.0000 0.5000 0.1995 ( 14160 PWs) bands (ev): -71.7965 -71.7965 -71.7965 -71.7965 -41.5785 -41.5785 -41.5785 -41.5785 -40.4335 -40.4335 -40.4335 -40.4335 -40.2977 -40.2977 -40.2977 -40.2977 -24.4648 -24.4648 -24.4648 -24.4648 -8.2042 -8.2042 -8.2042 -8.2042 -7.9578 -7.9578 -7.9578 -7.9578 -7.8758 -7.8758 -7.8758 -7.8758 -2.3380 -2.3380 -2.3380 -2.3380 2.9221 2.9221 2.9221 2.9221 4.4444 4.4444 4.4444 4.4444 4.6772 4.6772 4.6772 4.6772 5.9627 5.9627 5.9627 5.9627 6.0984 6.0984 6.0984 6.0984 6.2463 6.2463 6.2463 6.2463 7.2445 7.2445 7.2445 7.2445 7.7138 7.7138 7.7138 7.7138 8.7900 8.7900 k = 0.0000 0.5000 0.2138 ( 14152 PWs) bands (ev): -71.7962 -71.7962 -71.7962 -71.7962 -41.5785 -41.5785 -41.5785 -41.5785 -40.4335 -40.4335 -40.4335 -40.4335 -40.2977 -40.2977 -40.2977 -40.2977 -24.4648 -24.4648 -24.4648 -24.4648 -8.2042 -8.2042 -8.2042 -8.2042 -7.9579 -7.9579 -7.9579 -7.9579 -7.8757 -7.8757 -7.8757 -7.8757 -2.3372 -2.3372 -2.3372 -2.3372 2.9119 2.9119 2.9119 2.9119 4.4520 4.4520 4.4520 4.4520 4.6800 4.6800 4.6800 4.6800 5.9649 5.9649 5.9649 5.9649 6.1017 6.1017 6.1017 6.1017 6.2432 6.2432 6.2432 6.2432 7.2742 7.2742 7.2742 7.2742 7.7128 7.7128 7.7128 7.7128 8.7290 8.7290 k = 0.0000 0.5000 0.2280 ( 14158 PWs) bands (ev): -71.7964 -71.7964 -71.7964 -71.7964 -41.5785 -41.5785 -41.5785 -41.5785 -40.4335 -40.4335 -40.4335 -40.4335 -40.2977 -40.2977 -40.2977 -40.2977 -24.4648 -24.4648 -24.4648 -24.4648 -8.2043 -8.2043 -8.2043 -8.2043 -7.9579 -7.9579 -7.9579 -7.9579 -7.8756 -7.8756 -7.8756 -7.8756 -2.3365 -2.3365 -2.3365 -2.3365 2.9033 2.9033 2.9033 2.9033 4.4579 4.4579 4.4579 4.4579 4.6821 4.6821 4.6821 4.6821 5.9650 5.9650 5.9650 5.9650 6.1036 6.1036 6.1036 6.1036 6.2393 6.2393 6.2393 6.2393 7.2997 7.2997 7.2997 7.2997 7.7115 7.7115 7.7115 7.7115 8.6765 8.6765 k = 0.0000 0.5000 0.2423 ( 14146 PWs) bands (ev): -71.7960 -71.7960 -71.7960 -71.7960 -41.5785 -41.5785 -41.5785 -41.5785 -40.4335 -40.4335 -40.4335 -40.4335 -40.2977 -40.2977 -40.2977 -40.2977 -24.4648 -24.4648 -24.4648 -24.4648 -8.2044 -8.2044 -8.2044 -8.2044 -7.9580 -7.9580 -7.9580 -7.9580 -7.8755 -7.8755 -7.8755 -7.8755 -2.3359 -2.3359 -2.3359 -2.3359 2.8965 2.8965 2.8965 2.8965 4.4630 4.4630 4.4630 4.4630 4.6844 4.6844 4.6844 4.6844 5.9665 5.9665 5.9665 5.9665 6.1064 6.1064 6.1064 6.1064 6.2385 6.2385 6.2385 6.2385 7.3230 7.3230 7.3230 7.3230 7.7113 7.7113 7.7113 7.7113 8.6338 8.6338 k = 0.0000 0.5000 0.2565 ( 14144 PWs) bands (ev): -71.7959 -71.7959 -71.7959 -71.7959 -41.5785 -41.5785 -41.5785 -41.5785 -40.4335 -40.4335 -40.4335 -40.4335 -40.2977 -40.2977 -40.2977 -40.2977 -24.4648 -24.4648 -24.4648 -24.4648 -8.2044 -8.2044 -8.2044 -8.2044 -7.9580 -7.9580 -7.9580 -7.9580 -7.8755 -7.8755 -7.8755 -7.8755 -2.3355 -2.3355 -2.3355 -2.3355 2.8915 2.8915 2.8915 2.8915 4.4664 4.4664 4.4664 4.4664 4.6860 4.6860 4.6860 4.6860 5.9674 5.9674 5.9674 5.9674 6.1073 6.1073 6.1073 6.1073 6.2375 6.2375 6.2375 6.2375 7.3397 7.3397 7.3397 7.3397 7.7113 7.7113 7.7113 7.7113 8.6019 8.6019 k = 0.0000 0.5000 0.2708 ( 14164 PWs) bands (ev): -71.7966 -71.7966 -71.7966 -71.7966 -41.5785 -41.5785 -41.5785 -41.5785 -40.4335 -40.4335 -40.4335 -40.4335 -40.2977 -40.2977 -40.2977 -40.2977 -24.4648 -24.4648 -24.4648 -24.4648 -8.2044 -8.2044 -8.2044 -8.2044 -7.9580 -7.9580 -7.9580 -7.9580 -7.8754 -7.8754 -7.8754 -7.8754 -2.3353 -2.3353 -2.3353 -2.3353 2.8885 2.8885 2.8885 2.8885 4.4680 4.4680 4.4680 4.4680 4.6859 4.6859 4.6859 4.6859 5.9657 5.9657 5.9657 5.9657 6.1069 6.1069 6.1069 6.1069 6.2340 6.2340 6.2340 6.2340 7.3495 7.3495 7.3495 7.3495 7.7090 7.7090 7.7090 7.7090 8.5819 8.5819 k = 0.0000 0.5000 0.2850 ( 14176 PWs) bands (ev): -71.7970 -71.7970 -71.7970 -71.7970 -41.5785 -41.5785 -41.5785 -41.5785 -40.4335 -40.4335 -40.4335 -40.4335 -40.2978 -40.2978 -40.2978 -40.2978 -24.4648 -24.4648 -24.4648 -24.4648 -8.2044 -8.2044 -8.2044 -8.2044 -7.9580 -7.9580 -7.9580 -7.9580 -7.8754 -7.8754 -7.8754 -7.8754 -2.3352 -2.3352 -2.3352 -2.3352 2.8874 2.8874 2.8874 2.8874 4.4683 4.4683 4.4683 4.4683 4.6858 4.6858 4.6858 4.6858 5.9653 5.9653 5.9653 5.9653 6.1065 6.1065 6.1065 6.1065 6.2311 6.2311 6.2311 6.2311 7.3522 7.3522 7.3522 7.3522 7.7085 7.7085 7.7085 7.7085 8.5751 8.5751 k = 0.5000 0.5000-0.0000 ( 14140 PWs) bands (ev): -71.7960 -71.7960 -71.7960 -71.7960 -41.5787 -41.5787 -41.5787 -41.5787 -40.4339 -40.4339 -40.4339 -40.4339 -40.2974 -40.2974 -40.2974 -40.2974 -24.4628 -24.4628 -24.4628 -24.4628 -8.2077 -8.2077 -8.2077 -8.2077 -7.9630 -7.9630 -7.9630 -7.9630 -7.8927 -7.8927 -7.8927 -7.8927 -2.1544 -2.1544 -2.1544 -2.1544 2.8113 2.8113 2.8113 2.8113 4.4405 4.4405 4.4405 4.4405 4.8294 4.8294 4.8294 4.8294 5.7184 5.7184 5.7184 5.7184 5.7821 5.7821 5.7821 5.7821 6.3925 6.3925 6.3925 6.3925 6.5373 6.5373 6.5373 6.5373 7.2325 7.2325 7.2325 7.2325 8.7034 8.7034 k = 0.5000 0.5000 0.0143 ( 14132 PWs) bands (ev): -71.7957 -71.7957 -71.7957 -71.7957 -41.5787 -41.5787 -41.5787 -41.5787 -40.4339 -40.4339 -40.4339 -40.4339 -40.2974 -40.2974 -40.2974 -40.2974 -24.4628 -24.4628 -24.4628 -24.4628 -8.2077 -8.2077 -8.2077 -8.2077 -7.9630 -7.9630 -7.9630 -7.9630 -7.8927 -7.8927 -7.8927 -7.8927 -2.1544 -2.1544 -2.1544 -2.1544 2.8112 2.8112 2.8112 2.8112 4.4403 4.4403 4.4403 4.4403 4.8285 4.8285 4.8285 4.8285 5.7191 5.7191 5.7191 5.7191 5.7827 5.7827 5.7827 5.7827 6.3936 6.3936 6.3936 6.3936 6.5391 6.5391 6.5391 6.5391 7.2329 7.2329 7.2329 7.2329 8.7055 8.7055 k = 0.5000 0.5000 0.0285 ( 14128 PWs) bands (ev): -71.7956 -71.7956 -71.7956 -71.7956 -41.5787 -41.5787 -41.5787 -41.5787 -40.4339 -40.4339 -40.4339 -40.4339 -40.2974 -40.2974 -40.2974 -40.2974 -24.4628 -24.4628 -24.4628 -24.4628 -8.2077 -8.2077 -8.2077 -8.2077 -7.9630 -7.9630 -7.9630 -7.9630 -7.8927 -7.8927 -7.8927 -7.8927 -2.1542 -2.1542 -2.1542 -2.1542 2.8111 2.8111 2.8111 2.8111 4.4394 4.4394 4.4394 4.4394 4.8255 4.8255 4.8255 4.8255 5.7205 5.7205 5.7205 5.7205 5.7852 5.7852 5.7852 5.7852 6.3916 6.3916 6.3916 6.3916 6.5404 6.5404 6.5404 6.5404 7.2341 7.2341 7.2341 7.2341 8.7118 8.7118 k = 0.5000 0.5000 0.0428 ( 14160 PWs) bands (ev): -71.7967 -71.7967 -71.7967 -71.7967 -41.5787 -41.5787 -41.5787 -41.5787 -40.4339 -40.4339 -40.4339 -40.4339 -40.2974 -40.2974 -40.2974 -40.2974 -24.4628 -24.4628 -24.4628 -24.4628 -8.2077 -8.2077 -8.2077 -8.2077 -7.9630 -7.9630 -7.9630 -7.9630 -7.8928 -7.8928 -7.8928 -7.8928 -2.1539 -2.1539 -2.1539 -2.1539 2.8109 2.8109 2.8109 2.8109 4.4381 4.4381 4.4381 4.4381 4.8208 4.8208 4.8208 4.8208 5.7218 5.7218 5.7218 5.7218 5.7832 5.7832 5.7832 5.7832 6.3905 6.3905 6.3905 6.3905 6.5322 6.5322 6.5322 6.5322 7.2299 7.2299 7.2299 7.2299 8.7216 8.7216 k = 0.5000 0.5000 0.0570 ( 14152 PWs) bands (ev): -71.7964 -71.7964 -71.7964 -71.7964 -41.5787 -41.5787 -41.5787 -41.5787 -40.4339 -40.4339 -40.4339 -40.4339 -40.2974 -40.2974 -40.2974 -40.2974 -24.4628 -24.4628 -24.4628 -24.4628 -8.2077 -8.2077 -8.2077 -8.2077 -7.9630 -7.9630 -7.9630 -7.9630 -7.8928 -7.8928 -7.8928 -7.8928 -2.1535 -2.1535 -2.1535 -2.1535 2.8107 2.8107 2.8107 2.8107 4.4364 4.4364 4.4364 4.4364 4.8146 4.8146 4.8146 4.8146 5.7255 5.7255 5.7255 5.7255 5.7840 5.7840 5.7840 5.7840 6.3910 6.3910 6.3910 6.3910 6.5339 6.5339 6.5339 6.5339 7.2313 7.2313 7.2313 7.2313 8.7353 8.7353 k = 0.5000 0.5000 0.0713 ( 14184 PWs) bands (ev): -71.7975 -71.7975 -71.7975 -71.7975 -41.5787 -41.5787 -41.5787 -41.5787 -40.4339 -40.4339 -40.4339 -40.4339 -40.2975 -40.2975 -40.2975 -40.2975 -24.4628 -24.4628 -24.4628 -24.4628 -8.2076 -8.2076 -8.2076 -8.2076 -7.9630 -7.9630 -7.9630 -7.9630 -7.8929 -7.8929 -7.8929 -7.8929 -2.1531 -2.1531 -2.1531 -2.1531 2.8101 2.8101 2.8101 2.8101 4.4340 4.4340 4.4340 4.4340 4.8065 4.8065 4.8065 4.8065 5.7231 5.7231 5.7231 5.7231 5.7832 5.7832 5.7832 5.7832 6.3879 6.3879 6.3879 6.3879 6.5316 6.5316 6.5316 6.5316 7.2322 7.2322 7.2322 7.2322 8.7527 8.7527 k = 0.5000 0.5000 0.0855 ( 14168 PWs) bands (ev): -71.7969 -71.7969 -71.7969 -71.7969 -41.5787 -41.5787 -41.5787 -41.5787 -40.4339 -40.4339 -40.4339 -40.4339 -40.2975 -40.2975 -40.2975 -40.2975 -24.4628 -24.4628 -24.4628 -24.4628 -8.2076 -8.2076 -8.2076 -8.2076 -7.9630 -7.9630 -7.9630 -7.9630 -7.8929 -7.8929 -7.8929 -7.8929 -2.1526 -2.1526 -2.1526 -2.1526 2.8100 2.8100 2.8100 2.8100 4.4317 4.4317 4.4317 4.4317 4.7977 4.7977 4.7977 4.7977 5.7276 5.7276 5.7276 5.7276 5.7850 5.7850 5.7850 5.7850 6.3893 6.3893 6.3893 6.3893 6.5325 6.5325 6.5325 6.5325 7.2375 7.2375 7.2375 7.2375 8.7738 8.7738 k = 0.5000 0.5000 0.0998 ( 14160 PWs) bands (ev): -71.7966 -71.7966 -71.7966 -71.7966 -41.5787 -41.5787 -41.5787 -41.5787 -40.4339 -40.4339 -40.4339 -40.4339 -40.2975 -40.2975 -40.2975 -40.2975 -24.4628 -24.4628 -24.4628 -24.4628 -8.2076 -8.2076 -8.2076 -8.2076 -7.9630 -7.9630 -7.9630 -7.9630 -7.8930 -7.8930 -7.8930 -7.8930 -2.1519 -2.1519 -2.1519 -2.1519 2.8098 2.8098 2.8098 2.8098 4.4288 4.4288 4.4288 4.4288 4.7880 4.7880 4.7880 4.7880 5.7333 5.7333 5.7333 5.7333 5.7866 5.7866 5.7866 5.7866 6.3888 6.3888 6.3888 6.3888 6.5325 6.5325 6.5325 6.5325 7.2408 7.2408 7.2408 7.2408 8.7980 8.7980 k = 0.5000 0.5000 0.1140 ( 14164 PWs) bands (ev): -71.7968 -71.7968 -71.7968 -71.7968 -41.5787 -41.5787 -41.5787 -41.5787 -40.4339 -40.4339 -40.4339 -40.4339 -40.2974 -40.2974 -40.2974 -40.2974 -24.4628 -24.4628 -24.4628 -24.4628 -8.2076 -8.2076 -8.2076 -8.2076 -7.9630 -7.9630 -7.9630 -7.9630 -7.8931 -7.8931 -7.8931 -7.8931 -2.1513 -2.1513 -2.1513 -2.1513 2.8090 2.8090 2.8090 2.8090 4.4255 4.4255 4.4255 4.4255 4.7775 4.7775 4.7775 4.7775 5.7377 5.7377 5.7377 5.7377 5.7865 5.7865 5.7865 5.7865 6.3862 6.3862 6.3862 6.3862 6.5367 6.5367 6.5367 6.5367 7.2409 7.2409 7.2409 7.2409 8.8251 8.8251 k = 0.5000 0.5000 0.1283 ( 14176 PWs) bands (ev): -71.7972 -71.7972 -71.7972 -71.7972 -41.5787 -41.5787 -41.5787 -41.5787 -40.4339 -40.4339 -40.4339 -40.4339 -40.2975 -40.2975 -40.2975 -40.2975 -24.4628 -24.4628 -24.4628 -24.4628 -8.2075 -8.2075 -8.2075 -8.2075 -7.9630 -7.9630 -7.9630 -7.9630 -7.8931 -7.8931 -7.8931 -7.8931 -2.1506 -2.1506 -2.1506 -2.1506 2.8085 2.8085 2.8085 2.8085 4.4222 4.4222 4.4222 4.4222 4.7668 4.7668 4.7668 4.7668 5.7406 5.7406 5.7406 5.7406 5.7853 5.7853 5.7853 5.7853 6.3855 6.3855 6.3855 6.3855 6.5366 6.5366 6.5366 6.5366 7.2417 7.2417 7.2417 7.2417 8.8548 8.8548 k = 0.5000 0.5000 0.1425 ( 14160 PWs) bands (ev): -71.7966 -71.7966 -71.7966 -71.7966 -41.5787 -41.5787 -41.5787 -41.5787 -40.4339 -40.4339 -40.4339 -40.4339 -40.2974 -40.2974 -40.2974 -40.2974 -24.4628 -24.4628 -24.4628 -24.4628 -8.2075 -8.2075 -8.2075 -8.2075 -7.9630 -7.9630 -7.9630 -7.9630 -7.8932 -7.8932 -7.8932 -7.8932 -2.1498 -2.1498 -2.1498 -2.1498 2.8081 2.8081 2.8081 2.8081 4.4188 4.4188 4.4188 4.4188 4.7561 4.7561 4.7561 4.7561 5.7466 5.7466 5.7466 5.7466 5.7890 5.7890 5.7890 5.7890 6.3852 6.3852 6.3852 6.3852 6.5382 6.5382 6.5382 6.5382 7.2461 7.2461 7.2461 7.2461 8.8867 8.8867 k = 0.5000 0.5000 0.1568 ( 14180 PWs) bands (ev): -71.7973 -71.7973 -71.7973 -71.7973 -41.5787 -41.5787 -41.5787 -41.5787 -40.4339 -40.4339 -40.4339 -40.4339 -40.2975 -40.2975 -40.2975 -40.2975 -24.4628 -24.4628 -24.4628 -24.4628 -8.2075 -8.2075 -8.2075 -8.2075 -7.9630 -7.9630 -7.9630 -7.9630 -7.8933 -7.8933 -7.8933 -7.8933 -2.1491 -2.1491 -2.1491 -2.1491 2.8075 2.8075 2.8075 2.8075 4.4152 4.4152 4.4152 4.4152 4.7455 4.7455 4.7455 4.7455 5.7488 5.7488 5.7488 5.7488 5.7898 5.7898 5.7898 5.7898 6.3834 6.3834 6.3834 6.3834 6.5333 6.5333 6.5333 6.5333 7.2471 7.2471 7.2471 7.2471 8.9201 8.9201 k = 0.5000 0.5000 0.1710 ( 14224 PWs) bands (ev): -71.7988 -71.7988 -71.7988 -71.7988 -41.5788 -41.5788 -41.5788 -41.5788 -40.4340 -40.4340 -40.4340 -40.4340 -40.2975 -40.2975 -40.2975 -40.2975 -24.4628 -24.4628 -24.4628 -24.4628 -8.2074 -8.2074 -8.2074 -8.2074 -7.9630 -7.9630 -7.9630 -7.9630 -7.8933 -7.8933 -7.8933 -7.8933 -2.1484 -2.1484 -2.1484 -2.1484 2.8065 2.8065 2.8065 2.8065 4.4113 4.4113 4.4113 4.4113 4.7352 4.7352 4.7352 4.7352 5.7493 5.7493 5.7493 5.7493 5.7899 5.7899 5.7899 5.7899 6.3781 6.3781 6.3781 6.3781 6.5260 6.5260 6.5260 6.5260 7.2442 7.2442 7.2442 7.2442 8.9542 8.9542 k = 0.5000 0.5000 0.1853 ( 14224 PWs) bands (ev): -71.7988 -71.7988 -71.7988 -71.7988 -41.5788 -41.5788 -41.5788 -41.5788 -40.4340 -40.4340 -40.4340 -40.4340 -40.2975 -40.2975 -40.2975 -40.2975 -24.4628 -24.4628 -24.4628 -24.4628 -8.2074 -8.2074 -8.2074 -8.2074 -7.9630 -7.9630 -7.9630 -7.9630 -7.8934 -7.8934 -7.8934 -7.8934 -2.1477 -2.1477 -2.1477 -2.1477 2.8061 2.8061 2.8061 2.8061 4.4080 4.4080 4.4080 4.4080 4.7259 4.7259 4.7259 4.7259 5.7551 5.7551 5.7551 5.7551 5.7907 5.7907 5.7907 5.7907 6.3764 6.3764 6.3764 6.3764 6.5253 6.5253 6.5253 6.5253 7.2457 7.2457 7.2457 7.2457 8.9885 8.9885 k = 0.5000 0.5000 0.1995 ( 14216 PWs) bands (ev): -71.7985 -71.7985 -71.7985 -71.7985 -41.5788 -41.5788 -41.5788 -41.5788 -40.4339 -40.4339 -40.4339 -40.4339 -40.2975 -40.2975 -40.2975 -40.2975 -24.4628 -24.4628 -24.4628 -24.4628 -8.2074 -8.2074 -8.2074 -8.2074 -7.9629 -7.9629 -7.9629 -7.9629 -7.8935 -7.8935 -7.8935 -7.8935 -2.1471 -2.1471 -2.1471 -2.1471 2.8057 2.8057 2.8057 2.8057 4.4051 4.4051 4.4051 4.4051 4.7175 4.7175 4.7175 4.7175 5.7588 5.7588 5.7588 5.7588 5.7916 5.7916 5.7916 5.7916 6.3781 6.3781 6.3781 6.3781 6.5277 6.5277 6.5277 6.5277 7.2462 7.2462 7.2462 7.2462 9.0220 9.0220 k = 0.5000 0.5000 0.2138 ( 14200 PWs) bands (ev): -71.7980 -71.7980 -71.7980 -71.7980 -41.5787 -41.5787 -41.5787 -41.5787 -40.4339 -40.4339 -40.4339 -40.4339 -40.2975 -40.2975 -40.2975 -40.2975 -24.4628 -24.4628 -24.4628 -24.4628 -8.2074 -8.2074 -8.2074 -8.2074 -7.9629 -7.9629 -7.9629 -7.9629 -7.8935 -7.8935 -7.8935 -7.8935 -2.1465 -2.1465 -2.1465 -2.1465 2.8054 2.8054 2.8054 2.8054 4.4023 4.4023 4.4023 4.4023 4.7102 4.7102 4.7102 4.7102 5.7641 5.7641 5.7641 5.7641 5.7946 5.7946 5.7946 5.7946 6.3781 6.3781 6.3781 6.3781 6.5291 6.5291 6.5291 6.5291 7.2490 7.2490 7.2490 7.2490 9.0534 9.0534 k = 0.5000 0.5000 0.2280 ( 14208 PWs) bands (ev): -71.7982 -71.7982 -71.7982 -71.7982 -41.5787 -41.5787 -41.5787 -41.5787 -40.4339 -40.4339 -40.4339 -40.4339 -40.2975 -40.2975 -40.2975 -40.2975 -24.4628 -24.4628 -24.4628 -24.4628 -8.2073 -8.2073 -8.2073 -8.2073 -7.9629 -7.9629 -7.9629 -7.9629 -7.8936 -7.8936 -7.8936 -7.8936 -2.1461 -2.1461 -2.1461 -2.1461 2.8051 2.8051 2.8051 2.8051 4.3999 4.3999 4.3999 4.3999 4.7039 4.7039 4.7039 4.7039 5.7642 5.7642 5.7642 5.7642 5.7951 5.7951 5.7951 5.7951 6.3774 6.3774 6.3774 6.3774 6.5282 6.5282 6.5282 6.5282 7.2512 7.2512 7.2512 7.2512 9.0815 9.0815 k = 0.5000 0.5000 0.2423 ( 14200 PWs) bands (ev): -71.7980 -71.7980 -71.7980 -71.7980 -41.5787 -41.5787 -41.5787 -41.5787 -40.4339 -40.4339 -40.4339 -40.4339 -40.2975 -40.2975 -40.2975 -40.2975 -24.4628 -24.4628 -24.4628 -24.4628 -8.2073 -8.2073 -8.2073 -8.2073 -7.9629 -7.9629 -7.9629 -7.9629 -7.8936 -7.8936 -7.8936 -7.8936 -2.1457 -2.1457 -2.1457 -2.1457 2.8048 2.8048 2.8048 2.8048 4.3980 4.3980 4.3980 4.3980 4.6990 4.6990 4.6990 4.6990 5.7674 5.7674 5.7674 5.7674 5.7970 5.7970 5.7970 5.7970 6.3773 6.3773 6.3773 6.3773 6.5287 6.5287 6.5287 6.5287 7.2528 7.2528 7.2528 7.2528 9.1051 9.1051 k = 0.5000 0.5000 0.2565 ( 14172 PWs) bands (ev): -71.7970 -71.7970 -71.7970 -71.7970 -41.5787 -41.5787 -41.5787 -41.5787 -40.4339 -40.4339 -40.4339 -40.4339 -40.2974 -40.2974 -40.2974 -40.2974 -24.4628 -24.4628 -24.4628 -24.4628 -8.2073 -8.2073 -8.2073 -8.2073 -7.9629 -7.9629 -7.9629 -7.9629 -7.8936 -7.8936 -7.8936 -7.8936 -2.1454 -2.1454 -2.1454 -2.1454 2.8047 2.8047 2.8047 2.8047 4.3967 4.3967 4.3967 4.3967 4.6955 4.6955 4.6955 4.6955 5.7713 5.7713 5.7713 5.7713 5.7986 5.7986 5.7986 5.7986 6.3795 6.3795 6.3795 6.3795 6.5347 6.5347 6.5347 6.5347 7.2556 7.2556 7.2556 7.2556 9.1231 9.1231 k = 0.5000 0.5000 0.2708 ( 14192 PWs) bands (ev): -71.7977 -71.7977 -71.7977 -71.7977 -41.5787 -41.5787 -41.5787 -41.5787 -40.4339 -40.4339 -40.4339 -40.4339 -40.2975 -40.2975 -40.2975 -40.2975 -24.4628 -24.4628 -24.4628 -24.4628 -8.2073 -8.2073 -8.2073 -8.2073 -7.9629 -7.9629 -7.9629 -7.9629 -7.8937 -7.8937 -7.8937 -7.8937 -2.1452 -2.1452 -2.1452 -2.1452 2.8045 2.8045 2.8045 2.8045 4.3958 4.3958 4.3958 4.3958 4.6933 4.6933 4.6933 4.6933 5.7696 5.7696 5.7696 5.7696 5.7971 5.7971 5.7971 5.7971 6.3790 6.3790 6.3790 6.3790 6.5315 6.5315 6.5315 6.5315 7.2539 7.2539 7.2539 7.2539 9.1343 9.1343 k = 0.5000 0.5000 0.2850 ( 14200 PWs) bands (ev): -71.7980 -71.7980 -71.7980 -71.7980 -41.5787 -41.5787 -41.5787 -41.5787 -40.4339 -40.4339 -40.4339 -40.4339 -40.2975 -40.2975 -40.2975 -40.2975 -24.4628 -24.4628 -24.4628 -24.4628 -8.2073 -8.2073 -8.2073 -8.2073 -7.9629 -7.9629 -7.9629 -7.9629 -7.8937 -7.8937 -7.8937 -7.8937 -2.1452 -2.1452 -2.1452 -2.1452 2.8044 2.8044 2.8044 2.8044 4.3955 4.3955 4.3955 4.3955 4.6926 4.6926 4.6926 4.6926 5.7696 5.7696 5.7696 5.7696 5.7961 5.7961 5.7961 5.7961 6.3789 6.3789 6.3789 6.3789 6.5301 6.5301 6.5301 6.5301 7.2523 7.2523 7.2523 7.2523 9.1381 9.1381 Writing output data file KMnSb.save init_run : 0.34s CPU 0.48s WALL ( 1 calls) electrons : 401.70s CPU 406.09s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 401.70s CPU 406.09s 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 : 0.11s CPU 0.15s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.08s CPU 0.27s WALL ( 301 calls) cegterg : 361.55s CPU 364.55s WALL ( 353 calls) Called by sum_band: Called by *egterg: h_psi : 230.29s CPU 232.43s WALL ( 6105 calls) s_psi : 15.18s CPU 15.08s WALL ( 6105 calls) g_psi : 1.02s CPU 0.94s WALL ( 5451 calls) cdiaghg : 79.14s CPU 80.13s WALL ( 5752 calls) cegterg:over : 24.91s CPU 25.02s WALL ( 5451 calls) cegterg:upda : 23.48s CPU 23.66s WALL ( 5451 calls) cegterg:last : 10.88s CPU 10.82s WALL ( 955 calls) cdiaghg:chol : 4.76s CPU 4.71s WALL ( 5752 calls) cdiaghg:inve : 3.45s CPU 3.42s WALL ( 5752 calls) cdiaghg:para : 5.76s CPU 6.06s WALL ( 11504 calls) Called by h_psi: h_psi:vloc : 194.73s CPU 196.70s WALL ( 6105 calls) h_psi:vnl : 34.68s CPU 34.85s WALL ( 6105 calls) add_vuspsi : 18.70s CPU 18.71s WALL ( 6105 calls) General routines calbec : 15.95s CPU 16.11s WALL ( 6105 calls) fft : 0.00s CPU 0.01s WALL ( 15 calls) fftw : 185.40s CPU 187.25s WALL ( 934916 calls) davcio : 0.37s CPU 0.85s WALL ( 602 calls) Parallel routines fft_scatter : 56.95s CPU 58.16s WALL ( 934931 calls) PWSCF : 7m26.31s CPU 7m46.34s WALL This run was terminated on: 20:24: 3 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=