Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:57:41 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: ./NiF2.save/ file F.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized file Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D 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 34 10 1189 586 100 Max 54 35 11 1192 606 103 Sum 1941 1225 373 42885 21475 3619 bravais-lattice index = 14 lattice parameter (alat) = 8.7867 a.u. unit-cell volume = 449.8880 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 317.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.786659 celldm(2)= 1.000000 celldm(3)= 0.663183 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 0.663183 ) 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 1.507880 ) PseudoPot. # 1 for F read from file: /users/gautes/Pseudo/F.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: ce20c52fa94def3fe434d52ed9f7ea44 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1105 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ni read from file: /users/gautes/Pseudo/Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 9d95a5a85785a32f0d1fefdc4874c578 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1195 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 F 7.00 18.99840 F( 1.00) Ni 10.00 58.69340 Ni( 1.00) 16 Sym. Ops., with inversion, found ( 8 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 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.3315913 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.3315913 ) 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 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.0000000 -1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) f =( 0.5000000 ) ( 1 0 0 ) ( -0.5000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) f =( 0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.3315913 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) f =( -0.5000000 ) ( -1 0 0 ) ( 0.5000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.5000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.3315913 ) 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 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(10) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( -0.5000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(11) = ( 1.0000000 -0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.3315913 ) isym = 12 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(12) = ( -1 0 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(12) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.5000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.3315913 ) 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 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(14) = ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 15 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(15) = ( 0 1 0 ) f =( -0.5000000 ) ( -1 0 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(15) = ( 0.0000000 -1.0000000 -0.0000000 ) f =( -0.5000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.3315913 ) isym = 16 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(16) = ( 0 -1 0 ) f =( 0.5000000 ) ( 1 0 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(16) = ( -0.0000000 1.0000000 -0.0000000 ) f =( 0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.3315913 ) 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= 394 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025381 k( 2) = ( 0.0000000 0.0147059 -0.0000000), wk = 0.0025381 k( 3) = ( 0.0000000 0.0294118 -0.0000000), wk = 0.0025381 k( 4) = ( 0.0000000 0.0441177 -0.0000000), wk = 0.0025381 k( 5) = ( 0.0000000 0.0588235 -0.0000000), wk = 0.0025381 k( 6) = ( 0.0000000 0.0735294 -0.0000000), wk = 0.0025381 k( 7) = ( 0.0000000 0.0882353 -0.0000000), wk = 0.0025381 k( 8) = ( 0.0000000 0.1029412 -0.0000000), wk = 0.0025381 k( 9) = ( 0.0000000 0.1176471 -0.0000000), wk = 0.0025381 k( 10) = ( 0.0000000 0.1323529 -0.0000000), wk = 0.0025381 k( 11) = ( 0.0000000 0.1470588 -0.0000000), wk = 0.0025381 k( 12) = ( 0.0000000 0.1617647 -0.0000000), wk = 0.0025381 k( 13) = ( 0.0000000 0.1764706 -0.0000000), wk = 0.0025381 k( 14) = ( 0.0000000 0.1911765 -0.0000000), wk = 0.0025381 k( 15) = ( 0.0000000 0.2058823 -0.0000000), wk = 0.0025381 k( 16) = ( 0.0000000 0.2205882 -0.0000000), wk = 0.0025381 k( 17) = ( 0.0000000 0.2352941 -0.0000000), wk = 0.0025381 k( 18) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0025381 k( 19) = ( 0.0000000 0.2647059 -0.0000000), wk = 0.0025381 k( 20) = ( 0.0000000 0.2794118 -0.0000000), wk = 0.0025381 k( 21) = ( 0.0000000 0.2941177 -0.0000000), wk = 0.0025381 k( 22) = ( 0.0000000 0.3088235 -0.0000000), wk = 0.0025381 k( 23) = ( 0.0000000 0.3235294 -0.0000000), wk = 0.0025381 k( 24) = ( 0.0000000 0.3382353 -0.0000000), wk = 0.0025381 k( 25) = ( 0.0000000 0.3529412 -0.0000000), wk = 0.0025381 k( 26) = ( 0.0000000 0.3676471 -0.0000000), wk = 0.0025381 k( 27) = ( 0.0000000 0.3823529 -0.0000000), wk = 0.0025381 k( 28) = ( 0.0000000 0.3970588 -0.0000000), wk = 0.0025381 k( 29) = ( 0.0000000 0.4117647 -0.0000000), wk = 0.0025381 k( 30) = ( 0.0000000 0.4264706 -0.0000000), wk = 0.0025381 k( 31) = ( 0.0000000 0.4411765 -0.0000000), wk = 0.0025381 k( 32) = ( 0.0000000 0.4558823 -0.0000000), wk = 0.0025381 k( 33) = ( 0.0000000 0.4705882 -0.0000000), wk = 0.0025381 k( 34) = ( 0.0000000 0.4852941 -0.0000000), wk = 0.0025381 k( 35) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025381 k( 36) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025381 k( 37) = ( 0.0147059 0.5000000 -0.0000000), wk = 0.0025381 k( 38) = ( 0.0294118 0.5000000 -0.0000000), wk = 0.0025381 k( 39) = ( 0.0441177 0.5000000 -0.0000000), wk = 0.0025381 k( 40) = ( 0.0588235 0.5000000 -0.0000000), wk = 0.0025381 k( 41) = ( 0.0735294 0.5000000 -0.0000000), wk = 0.0025381 k( 42) = ( 0.0882353 0.5000000 -0.0000000), wk = 0.0025381 k( 43) = ( 0.1029412 0.5000000 -0.0000000), wk = 0.0025381 k( 44) = ( 0.1176471 0.5000000 -0.0000000), wk = 0.0025381 k( 45) = ( 0.1323529 0.5000000 -0.0000000), wk = 0.0025381 k( 46) = ( 0.1470588 0.5000000 -0.0000000), wk = 0.0025381 k( 47) = ( 0.1617647 0.5000000 -0.0000000), wk = 0.0025381 k( 48) = ( 0.1764706 0.5000000 -0.0000000), wk = 0.0025381 k( 49) = ( 0.1911765 0.5000000 -0.0000000), wk = 0.0025381 k( 50) = ( 0.2058823 0.5000000 -0.0000000), wk = 0.0025381 k( 51) = ( 0.2205882 0.5000000 -0.0000000), wk = 0.0025381 k( 52) = ( 0.2352941 0.5000000 -0.0000000), wk = 0.0025381 k( 53) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0025381 k( 54) = ( 0.2647059 0.5000000 -0.0000000), wk = 0.0025381 k( 55) = ( 0.2794118 0.5000000 -0.0000000), wk = 0.0025381 k( 56) = ( 0.2941177 0.5000000 -0.0000000), wk = 0.0025381 k( 57) = ( 0.3088235 0.5000000 -0.0000000), wk = 0.0025381 k( 58) = ( 0.3235294 0.5000000 -0.0000000), wk = 0.0025381 k( 59) = ( 0.3382353 0.5000000 -0.0000000), wk = 0.0025381 k( 60) = ( 0.3529412 0.5000000 -0.0000000), wk = 0.0025381 k( 61) = ( 0.3676471 0.5000000 -0.0000000), wk = 0.0025381 k( 62) = ( 0.3823529 0.5000000 -0.0000000), wk = 0.0025381 k( 63) = ( 0.3970588 0.5000000 -0.0000000), wk = 0.0025381 k( 64) = ( 0.4117647 0.5000000 -0.0000000), wk = 0.0025381 k( 65) = ( 0.4264706 0.5000000 -0.0000000), wk = 0.0025381 k( 66) = ( 0.4411765 0.5000000 -0.0000000), wk = 0.0025381 k( 67) = ( 0.4558823 0.5000000 -0.0000000), wk = 0.0025381 k( 68) = ( 0.4705882 0.5000000 -0.0000000), wk = 0.0025381 k( 69) = ( 0.4852941 0.5000000 -0.0000000), wk = 0.0025381 k( 70) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0025381 k( 71) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0025381 k( 72) = ( 0.4895833 0.4895833 -0.0000000), wk = 0.0025381 k( 73) = ( 0.4791667 0.4791667 -0.0000000), wk = 0.0025381 k( 74) = ( 0.4687500 0.4687500 -0.0000000), wk = 0.0025381 k( 75) = ( 0.4583333 0.4583333 -0.0000000), wk = 0.0025381 k( 76) = ( 0.4479167 0.4479167 -0.0000000), wk = 0.0025381 k( 77) = ( 0.4375000 0.4375000 -0.0000000), wk = 0.0025381 k( 78) = ( 0.4270833 0.4270833 -0.0000000), wk = 0.0025381 k( 79) = ( 0.4166667 0.4166667 -0.0000000), wk = 0.0025381 k( 80) = ( 0.4062500 0.4062500 -0.0000000), wk = 0.0025381 k( 81) = ( 0.3958333 0.3958333 -0.0000000), wk = 0.0025381 k( 82) = ( 0.3854167 0.3854167 -0.0000000), wk = 0.0025381 k( 83) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0025381 k( 84) = ( 0.3645833 0.3645833 -0.0000000), wk = 0.0025381 k( 85) = ( 0.3541667 0.3541667 -0.0000000), wk = 0.0025381 k( 86) = ( 0.3437500 0.3437500 -0.0000000), wk = 0.0025381 k( 87) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0025381 k( 88) = ( 0.3229167 0.3229167 -0.0000000), wk = 0.0025381 k( 89) = ( 0.3125000 0.3125000 -0.0000000), wk = 0.0025381 k( 90) = ( 0.3020833 0.3020833 -0.0000000), wk = 0.0025381 k( 91) = ( 0.2916667 0.2916667 -0.0000000), wk = 0.0025381 k( 92) = ( 0.2812500 0.2812500 -0.0000000), wk = 0.0025381 k( 93) = ( 0.2708333 0.2708333 -0.0000000), wk = 0.0025381 k( 94) = ( 0.2604167 0.2604167 -0.0000000), wk = 0.0025381 k( 95) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0025381 k( 96) = ( 0.2395833 0.2395833 -0.0000000), wk = 0.0025381 k( 97) = ( 0.2291667 0.2291667 -0.0000000), wk = 0.0025381 k( 98) = ( 0.2187500 0.2187500 -0.0000000), wk = 0.0025381 k( 99) = ( 0.2083333 0.2083333 -0.0000000), wk = 0.0025381 k( 100) = ( 0.1979167 0.1979167 -0.0000000), wk = 0.0025381 k( 101) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0025381 k( 102) = ( 0.1770833 0.1770833 -0.0000000), wk = 0.0025381 k( 103) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0025381 k( 104) = ( 0.1562500 0.1562500 -0.0000000), wk = 0.0025381 k( 105) = ( 0.1458333 0.1458333 -0.0000000), wk = 0.0025381 k( 106) = ( 0.1354167 0.1354167 -0.0000000), wk = 0.0025381 k( 107) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0025381 k( 108) = ( 0.1145833 0.1145833 -0.0000000), wk = 0.0025381 k( 109) = ( 0.1041667 0.1041667 -0.0000000), wk = 0.0025381 k( 110) = ( 0.0937500 0.0937500 -0.0000000), wk = 0.0025381 k( 111) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0025381 k( 112) = ( 0.0729167 0.0729167 -0.0000000), wk = 0.0025381 k( 113) = ( 0.0625000 0.0625000 -0.0000000), wk = 0.0025381 k( 114) = ( 0.0520833 0.0520833 -0.0000000), wk = 0.0025381 k( 115) = ( 0.0416667 0.0416667 -0.0000000), wk = 0.0025381 k( 116) = ( 0.0312500 0.0312500 -0.0000000), wk = 0.0025381 k( 117) = ( 0.0208333 0.0208333 -0.0000000), wk = 0.0025381 k( 118) = ( 0.0104167 0.0104167 -0.0000000), wk = 0.0025381 k( 119) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025381 k( 120) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025381 k( 121) = ( 0.0000000 0.0000000 0.0147831), wk = 0.0025381 k( 122) = ( 0.0000000 0.0000000 0.0295663), wk = 0.0025381 k( 123) = ( 0.0000000 0.0000000 0.0443494), wk = 0.0025381 k( 124) = ( 0.0000000 0.0000000 0.0591326), wk = 0.0025381 k( 125) = ( 0.0000000 0.0000000 0.0739157), wk = 0.0025381 k( 126) = ( 0.0000000 0.0000000 0.0886988), wk = 0.0025381 k( 127) = ( 0.0000000 0.0000000 0.1034820), wk = 0.0025381 k( 128) = ( 0.0000000 0.0000000 0.1182651), wk = 0.0025381 k( 129) = ( 0.0000000 0.0000000 0.1330483), wk = 0.0025381 k( 130) = ( 0.0000000 0.0000000 0.1478314), wk = 0.0025381 k( 131) = ( 0.0000000 0.0000000 0.1626146), wk = 0.0025381 k( 132) = ( 0.0000000 0.0000000 0.1773977), wk = 0.0025381 k( 133) = ( 0.0000000 0.0000000 0.1921808), wk = 0.0025381 k( 134) = ( 0.0000000 0.0000000 0.2069640), wk = 0.0025381 k( 135) = ( 0.0000000 0.0000000 0.2217471), wk = 0.0025381 k( 136) = ( 0.0000000 0.0000000 0.2365303), wk = 0.0025381 k( 137) = ( 0.0000000 0.0000000 0.2513134), wk = 0.0025381 k( 138) = ( 0.0000000 0.0000000 0.2660965), wk = 0.0025381 k( 139) = ( 0.0000000 0.0000000 0.2808797), wk = 0.0025381 k( 140) = ( 0.0000000 0.0000000 0.2956628), wk = 0.0025381 k( 141) = ( 0.0000000 0.0000000 0.3104460), wk = 0.0025381 k( 142) = ( 0.0000000 0.0000000 0.3252291), wk = 0.0025381 k( 143) = ( 0.0000000 0.0000000 0.3400123), wk = 0.0025381 k( 144) = ( 0.0000000 0.0000000 0.3547954), wk = 0.0025381 k( 145) = ( 0.0000000 0.0000000 0.3695785), wk = 0.0025381 k( 146) = ( 0.0000000 0.0000000 0.3843617), wk = 0.0025381 k( 147) = ( 0.0000000 0.0000000 0.3991448), wk = 0.0025381 k( 148) = ( 0.0000000 0.0000000 0.4139279), wk = 0.0025381 k( 149) = ( 0.0000000 0.0000000 0.4287111), wk = 0.0025381 k( 150) = ( 0.0000000 0.0000000 0.4434942), wk = 0.0025381 k( 151) = ( 0.0000000 0.0000000 0.4582774), wk = 0.0025381 k( 152) = ( 0.0000000 0.0000000 0.4730605), wk = 0.0025381 k( 153) = ( 0.0000000 0.0000000 0.4878437), wk = 0.0025381 k( 154) = ( 0.0000000 0.0000000 0.5026268), wk = 0.0025381 k( 155) = ( 0.0000000 0.0000000 0.5174099), wk = 0.0025381 k( 156) = ( 0.0000000 0.0000000 0.5321931), wk = 0.0025381 k( 157) = ( 0.0000000 0.0000000 0.5469762), wk = 0.0025381 k( 158) = ( 0.0000000 0.0000000 0.5617594), wk = 0.0025381 k( 159) = ( 0.0000000 0.0000000 0.5765425), wk = 0.0025381 k( 160) = ( 0.0000000 0.0000000 0.5913256), wk = 0.0025381 k( 161) = ( 0.0000000 0.0000000 0.6061088), wk = 0.0025381 k( 162) = ( 0.0000000 0.0000000 0.6208919), wk = 0.0025381 k( 163) = ( 0.0000000 0.0000000 0.6356751), wk = 0.0025381 k( 164) = ( 0.0000000 0.0000000 0.6504582), wk = 0.0025381 k( 165) = ( 0.0000000 0.0000000 0.6652414), wk = 0.0025381 k( 166) = ( 0.0000000 0.0000000 0.6800245), wk = 0.0025381 k( 167) = ( 0.0000000 0.0000000 0.6948076), wk = 0.0025381 k( 168) = ( 0.0000000 0.0000000 0.7095908), wk = 0.0025381 k( 169) = ( 0.0000000 0.0000000 0.7243739), wk = 0.0025381 k( 170) = ( 0.0000000 0.0000000 0.7391571), wk = 0.0025381 k( 171) = ( 0.0000000 0.0000000 0.7539402), wk = 0.0025381 k( 172) = ( 0.0000000 0.0000000 0.7539402), wk = 0.0025381 k( 173) = ( 0.0000000 0.0147059 0.7539402), wk = 0.0025381 k( 174) = ( 0.0000000 0.0294118 0.7539402), wk = 0.0025381 k( 175) = ( 0.0000000 0.0441177 0.7539402), wk = 0.0025381 k( 176) = ( 0.0000000 0.0588235 0.7539402), wk = 0.0025381 k( 177) = ( 0.0000000 0.0735294 0.7539402), wk = 0.0025381 k( 178) = ( 0.0000000 0.0882353 0.7539402), wk = 0.0025381 k( 179) = ( 0.0000000 0.1029412 0.7539402), wk = 0.0025381 k( 180) = ( 0.0000000 0.1176471 0.7539402), wk = 0.0025381 k( 181) = ( 0.0000000 0.1323529 0.7539402), wk = 0.0025381 k( 182) = ( 0.0000000 0.1470588 0.7539402), wk = 0.0025381 k( 183) = ( 0.0000000 0.1617647 0.7539402), wk = 0.0025381 k( 184) = ( 0.0000000 0.1764706 0.7539402), wk = 0.0025381 k( 185) = ( 0.0000000 0.1911765 0.7539402), wk = 0.0025381 k( 186) = ( 0.0000000 0.2058823 0.7539402), wk = 0.0025381 k( 187) = ( 0.0000000 0.2205882 0.7539402), wk = 0.0025381 k( 188) = ( 0.0000000 0.2352941 0.7539402), wk = 0.0025381 k( 189) = ( 0.0000000 0.2500000 0.7539402), wk = 0.0025381 k( 190) = ( 0.0000000 0.2647059 0.7539402), wk = 0.0025381 k( 191) = ( 0.0000000 0.2794118 0.7539402), wk = 0.0025381 k( 192) = ( 0.0000000 0.2941177 0.7539402), wk = 0.0025381 k( 193) = ( 0.0000000 0.3088235 0.7539402), wk = 0.0025381 k( 194) = ( 0.0000000 0.3235294 0.7539402), wk = 0.0025381 k( 195) = ( 0.0000000 0.3382353 0.7539402), wk = 0.0025381 k( 196) = ( 0.0000000 0.3529412 0.7539402), wk = 0.0025381 k( 197) = ( 0.0000000 0.3676471 0.7539402), wk = 0.0025381 k( 198) = ( 0.0000000 0.3823529 0.7539402), wk = 0.0025381 k( 199) = ( 0.0000000 0.3970588 0.7539402), wk = 0.0025381 k( 200) = ( 0.0000000 0.4117647 0.7539402), wk = 0.0025381 k( 201) = ( 0.0000000 0.4264706 0.7539402), wk = 0.0025381 k( 202) = ( 0.0000000 0.4411765 0.7539402), wk = 0.0025381 k( 203) = ( 0.0000000 0.4558823 0.7539402), wk = 0.0025381 k( 204) = ( 0.0000000 0.4705882 0.7539402), wk = 0.0025381 k( 205) = ( 0.0000000 0.4852941 0.7539402), wk = 0.0025381 k( 206) = ( 0.0000000 0.5000000 0.7539402), wk = 0.0025381 k( 207) = ( 0.0000000 0.5000000 0.7539402), wk = 0.0025381 k( 208) = ( 0.0147059 0.5000000 0.7539402), wk = 0.0025381 k( 209) = ( 0.0294118 0.5000000 0.7539402), wk = 0.0025381 k( 210) = ( 0.0441177 0.5000000 0.7539402), wk = 0.0025381 k( 211) = ( 0.0588235 0.5000000 0.7539402), wk = 0.0025381 k( 212) = ( 0.0735294 0.5000000 0.7539402), wk = 0.0025381 k( 213) = ( 0.0882353 0.5000000 0.7539402), wk = 0.0025381 k( 214) = ( 0.1029412 0.5000000 0.7539402), wk = 0.0025381 k( 215) = ( 0.1176471 0.5000000 0.7539402), wk = 0.0025381 k( 216) = ( 0.1323529 0.5000000 0.7539402), wk = 0.0025381 k( 217) = ( 0.1470588 0.5000000 0.7539402), wk = 0.0025381 k( 218) = ( 0.1617647 0.5000000 0.7539402), wk = 0.0025381 k( 219) = ( 0.1764706 0.5000000 0.7539402), wk = 0.0025381 k( 220) = ( 0.1911765 0.5000000 0.7539402), wk = 0.0025381 k( 221) = ( 0.2058823 0.5000000 0.7539402), wk = 0.0025381 k( 222) = ( 0.2205882 0.5000000 0.7539402), wk = 0.0025381 k( 223) = ( 0.2352941 0.5000000 0.7539402), wk = 0.0025381 k( 224) = ( 0.2500000 0.5000000 0.7539402), wk = 0.0025381 k( 225) = ( 0.2647059 0.5000000 0.7539402), wk = 0.0025381 k( 226) = ( 0.2794118 0.5000000 0.7539402), wk = 0.0025381 k( 227) = ( 0.2941177 0.5000000 0.7539402), wk = 0.0025381 k( 228) = ( 0.3088235 0.5000000 0.7539402), wk = 0.0025381 k( 229) = ( 0.3235294 0.5000000 0.7539402), wk = 0.0025381 k( 230) = ( 0.3382353 0.5000000 0.7539402), wk = 0.0025381 k( 231) = ( 0.3529412 0.5000000 0.7539402), wk = 0.0025381 k( 232) = ( 0.3676471 0.5000000 0.7539402), wk = 0.0025381 k( 233) = ( 0.3823529 0.5000000 0.7539402), wk = 0.0025381 k( 234) = ( 0.3970588 0.5000000 0.7539402), wk = 0.0025381 k( 235) = ( 0.4117647 0.5000000 0.7539402), wk = 0.0025381 k( 236) = ( 0.4264706 0.5000000 0.7539402), wk = 0.0025381 k( 237) = ( 0.4411765 0.5000000 0.7539402), wk = 0.0025381 k( 238) = ( 0.4558823 0.5000000 0.7539402), wk = 0.0025381 k( 239) = ( 0.4705882 0.5000000 0.7539402), wk = 0.0025381 k( 240) = ( 0.4852941 0.5000000 0.7539402), wk = 0.0025381 k( 241) = ( 0.5000000 0.5000000 0.7539402), wk = 0.0025381 k( 242) = ( 0.5000000 0.5000000 0.7539402), wk = 0.0025381 k( 243) = ( 0.4895833 0.4895833 0.7539402), wk = 0.0025381 k( 244) = ( 0.4791667 0.4791667 0.7539402), wk = 0.0025381 k( 245) = ( 0.4687500 0.4687500 0.7539402), wk = 0.0025381 k( 246) = ( 0.4583333 0.4583333 0.7539402), wk = 0.0025381 k( 247) = ( 0.4479167 0.4479167 0.7539402), wk = 0.0025381 k( 248) = ( 0.4375000 0.4375000 0.7539402), wk = 0.0025381 k( 249) = ( 0.4270833 0.4270833 0.7539402), wk = 0.0025381 k( 250) = ( 0.4166667 0.4166667 0.7539402), wk = 0.0025381 k( 251) = ( 0.4062500 0.4062500 0.7539402), wk = 0.0025381 k( 252) = ( 0.3958333 0.3958333 0.7539402), wk = 0.0025381 k( 253) = ( 0.3854167 0.3854167 0.7539402), wk = 0.0025381 k( 254) = ( 0.3750000 0.3750000 0.7539402), wk = 0.0025381 k( 255) = ( 0.3645833 0.3645833 0.7539402), wk = 0.0025381 k( 256) = ( 0.3541667 0.3541667 0.7539402), wk = 0.0025381 k( 257) = ( 0.3437500 0.3437500 0.7539402), wk = 0.0025381 k( 258) = ( 0.3333333 0.3333333 0.7539402), wk = 0.0025381 k( 259) = ( 0.3229167 0.3229167 0.7539402), wk = 0.0025381 k( 260) = ( 0.3125000 0.3125000 0.7539402), wk = 0.0025381 k( 261) = ( 0.3020833 0.3020833 0.7539402), wk = 0.0025381 k( 262) = ( 0.2916667 0.2916667 0.7539402), wk = 0.0025381 k( 263) = ( 0.2812500 0.2812500 0.7539402), wk = 0.0025381 k( 264) = ( 0.2708333 0.2708333 0.7539402), wk = 0.0025381 k( 265) = ( 0.2604167 0.2604167 0.7539402), wk = 0.0025381 k( 266) = ( 0.2500000 0.2500000 0.7539402), wk = 0.0025381 k( 267) = ( 0.2395833 0.2395833 0.7539402), wk = 0.0025381 k( 268) = ( 0.2291667 0.2291667 0.7539402), wk = 0.0025381 k( 269) = ( 0.2187500 0.2187500 0.7539402), wk = 0.0025381 k( 270) = ( 0.2083333 0.2083333 0.7539402), wk = 0.0025381 k( 271) = ( 0.1979167 0.1979167 0.7539402), wk = 0.0025381 k( 272) = ( 0.1875000 0.1875000 0.7539402), wk = 0.0025381 k( 273) = ( 0.1770833 0.1770833 0.7539402), wk = 0.0025381 k( 274) = ( 0.1666667 0.1666667 0.7539402), wk = 0.0025381 k( 275) = ( 0.1562500 0.1562500 0.7539402), wk = 0.0025381 k( 276) = ( 0.1458333 0.1458333 0.7539402), wk = 0.0025381 k( 277) = ( 0.1354167 0.1354167 0.7539402), wk = 0.0025381 k( 278) = ( 0.1250000 0.1250000 0.7539402), wk = 0.0025381 k( 279) = ( 0.1145833 0.1145833 0.7539402), wk = 0.0025381 k( 280) = ( 0.1041667 0.1041667 0.7539402), wk = 0.0025381 k( 281) = ( 0.0937500 0.0937500 0.7539402), wk = 0.0025381 k( 282) = ( 0.0833333 0.0833333 0.7539402), wk = 0.0025381 k( 283) = ( 0.0729167 0.0729167 0.7539402), wk = 0.0025381 k( 284) = ( 0.0625000 0.0625000 0.7539402), wk = 0.0025381 k( 285) = ( 0.0520833 0.0520833 0.7539402), wk = 0.0025381 k( 286) = ( 0.0416667 0.0416667 0.7539402), wk = 0.0025381 k( 287) = ( 0.0312500 0.0312500 0.7539402), wk = 0.0025381 k( 288) = ( 0.0208333 0.0208333 0.7539402), wk = 0.0025381 k( 289) = ( 0.0104167 0.0104167 0.7539402), wk = 0.0025381 k( 290) = ( 0.0000000 0.0000000 0.7539402), wk = 0.0025381 k( 291) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025381 k( 292) = ( 0.0000000 0.5000000 0.0147831), wk = 0.0025381 k( 293) = ( 0.0000000 0.5000000 0.0295663), wk = 0.0025381 k( 294) = ( 0.0000000 0.5000000 0.0443494), wk = 0.0025381 k( 295) = ( 0.0000000 0.5000000 0.0591326), wk = 0.0025381 k( 296) = ( 0.0000000 0.5000000 0.0739157), wk = 0.0025381 k( 297) = ( 0.0000000 0.5000000 0.0886988), wk = 0.0025381 k( 298) = ( 0.0000000 0.5000000 0.1034820), wk = 0.0025381 k( 299) = ( 0.0000000 0.5000000 0.1182651), wk = 0.0025381 k( 300) = ( 0.0000000 0.5000000 0.1330483), wk = 0.0025381 k( 301) = ( 0.0000000 0.5000000 0.1478314), wk = 0.0025381 k( 302) = ( 0.0000000 0.5000000 0.1626146), wk = 0.0025381 k( 303) = ( 0.0000000 0.5000000 0.1773977), wk = 0.0025381 k( 304) = ( 0.0000000 0.5000000 0.1921808), wk = 0.0025381 k( 305) = ( 0.0000000 0.5000000 0.2069640), wk = 0.0025381 k( 306) = ( 0.0000000 0.5000000 0.2217471), wk = 0.0025381 k( 307) = ( 0.0000000 0.5000000 0.2365303), wk = 0.0025381 k( 308) = ( 0.0000000 0.5000000 0.2513134), wk = 0.0025381 k( 309) = ( 0.0000000 0.5000000 0.2660965), wk = 0.0025381 k( 310) = ( 0.0000000 0.5000000 0.2808797), wk = 0.0025381 k( 311) = ( 0.0000000 0.5000000 0.2956628), wk = 0.0025381 k( 312) = ( 0.0000000 0.5000000 0.3104460), wk = 0.0025381 k( 313) = ( 0.0000000 0.5000000 0.3252291), wk = 0.0025381 k( 314) = ( 0.0000000 0.5000000 0.3400123), wk = 0.0025381 k( 315) = ( 0.0000000 0.5000000 0.3547954), wk = 0.0025381 k( 316) = ( 0.0000000 0.5000000 0.3695785), wk = 0.0025381 k( 317) = ( 0.0000000 0.5000000 0.3843617), wk = 0.0025381 k( 318) = ( 0.0000000 0.5000000 0.3991448), wk = 0.0025381 k( 319) = ( 0.0000000 0.5000000 0.4139279), wk = 0.0025381 k( 320) = ( 0.0000000 0.5000000 0.4287111), wk = 0.0025381 k( 321) = ( 0.0000000 0.5000000 0.4434942), wk = 0.0025381 k( 322) = ( 0.0000000 0.5000000 0.4582774), wk = 0.0025381 k( 323) = ( 0.0000000 0.5000000 0.4730605), wk = 0.0025381 k( 324) = ( 0.0000000 0.5000000 0.4878437), wk = 0.0025381 k( 325) = ( 0.0000000 0.5000000 0.5026268), wk = 0.0025381 k( 326) = ( 0.0000000 0.5000000 0.5174099), wk = 0.0025381 k( 327) = ( 0.0000000 0.5000000 0.5321931), wk = 0.0025381 k( 328) = ( 0.0000000 0.5000000 0.5469762), wk = 0.0025381 k( 329) = ( 0.0000000 0.5000000 0.5617594), wk = 0.0025381 k( 330) = ( 0.0000000 0.5000000 0.5765425), wk = 0.0025381 k( 331) = ( 0.0000000 0.5000000 0.5913256), wk = 0.0025381 k( 332) = ( 0.0000000 0.5000000 0.6061088), wk = 0.0025381 k( 333) = ( 0.0000000 0.5000000 0.6208919), wk = 0.0025381 k( 334) = ( 0.0000000 0.5000000 0.6356751), wk = 0.0025381 k( 335) = ( 0.0000000 0.5000000 0.6504582), wk = 0.0025381 k( 336) = ( 0.0000000 0.5000000 0.6652414), wk = 0.0025381 k( 337) = ( 0.0000000 0.5000000 0.6800245), wk = 0.0025381 k( 338) = ( 0.0000000 0.5000000 0.6948076), wk = 0.0025381 k( 339) = ( 0.0000000 0.5000000 0.7095908), wk = 0.0025381 k( 340) = ( 0.0000000 0.5000000 0.7243739), wk = 0.0025381 k( 341) = ( 0.0000000 0.5000000 0.7391571), wk = 0.0025381 k( 342) = ( 0.0000000 0.5000000 0.7539402), wk = 0.0025381 k( 343) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0025381 k( 344) = ( 0.5000000 0.5000000 0.0147831), wk = 0.0025381 k( 345) = ( 0.5000000 0.5000000 0.0295663), wk = 0.0025381 k( 346) = ( 0.5000000 0.5000000 0.0443494), wk = 0.0025381 k( 347) = ( 0.5000000 0.5000000 0.0591326), wk = 0.0025381 k( 348) = ( 0.5000000 0.5000000 0.0739157), wk = 0.0025381 k( 349) = ( 0.5000000 0.5000000 0.0886988), wk = 0.0025381 k( 350) = ( 0.5000000 0.5000000 0.1034820), wk = 0.0025381 k( 351) = ( 0.5000000 0.5000000 0.1182651), wk = 0.0025381 k( 352) = ( 0.5000000 0.5000000 0.1330483), wk = 0.0025381 k( 353) = ( 0.5000000 0.5000000 0.1478314), wk = 0.0025381 k( 354) = ( 0.5000000 0.5000000 0.1626146), wk = 0.0025381 k( 355) = ( 0.5000000 0.5000000 0.1773977), wk = 0.0025381 k( 356) = ( 0.5000000 0.5000000 0.1921808), wk = 0.0025381 k( 357) = ( 0.5000000 0.5000000 0.2069640), wk = 0.0025381 k( 358) = ( 0.5000000 0.5000000 0.2217471), wk = 0.0025381 k( 359) = ( 0.5000000 0.5000000 0.2365303), wk = 0.0025381 k( 360) = ( 0.5000000 0.5000000 0.2513134), wk = 0.0025381 k( 361) = ( 0.5000000 0.5000000 0.2660965), wk = 0.0025381 k( 362) = ( 0.5000000 0.5000000 0.2808797), wk = 0.0025381 k( 363) = ( 0.5000000 0.5000000 0.2956628), wk = 0.0025381 k( 364) = ( 0.5000000 0.5000000 0.3104460), wk = 0.0025381 k( 365) = ( 0.5000000 0.5000000 0.3252291), wk = 0.0025381 k( 366) = ( 0.5000000 0.5000000 0.3400123), wk = 0.0025381 k( 367) = ( 0.5000000 0.5000000 0.3547954), wk = 0.0025381 k( 368) = ( 0.5000000 0.5000000 0.3695785), wk = 0.0025381 k( 369) = ( 0.5000000 0.5000000 0.3843617), wk = 0.0025381 k( 370) = ( 0.5000000 0.5000000 0.3991448), wk = 0.0025381 k( 371) = ( 0.5000000 0.5000000 0.4139279), wk = 0.0025381 k( 372) = ( 0.5000000 0.5000000 0.4287111), wk = 0.0025381 k( 373) = ( 0.5000000 0.5000000 0.4434942), wk = 0.0025381 k( 374) = ( 0.5000000 0.5000000 0.4582774), wk = 0.0025381 k( 375) = ( 0.5000000 0.5000000 0.4730605), wk = 0.0025381 k( 376) = ( 0.5000000 0.5000000 0.4878437), wk = 0.0025381 k( 377) = ( 0.5000000 0.5000000 0.5026268), wk = 0.0025381 k( 378) = ( 0.5000000 0.5000000 0.5174099), wk = 0.0025381 k( 379) = ( 0.5000000 0.5000000 0.5321931), wk = 0.0025381 k( 380) = ( 0.5000000 0.5000000 0.5469762), wk = 0.0025381 k( 381) = ( 0.5000000 0.5000000 0.5617594), wk = 0.0025381 k( 382) = ( 0.5000000 0.5000000 0.5765425), wk = 0.0025381 k( 383) = ( 0.5000000 0.5000000 0.5913256), wk = 0.0025381 k( 384) = ( 0.5000000 0.5000000 0.6061088), wk = 0.0025381 k( 385) = ( 0.5000000 0.5000000 0.6208919), wk = 0.0025381 k( 386) = ( 0.5000000 0.5000000 0.6356751), wk = 0.0025381 k( 387) = ( 0.5000000 0.5000000 0.6504582), wk = 0.0025381 k( 388) = ( 0.5000000 0.5000000 0.6652414), wk = 0.0025381 k( 389) = ( 0.5000000 0.5000000 0.6800245), wk = 0.0025381 k( 390) = ( 0.5000000 0.5000000 0.6948076), wk = 0.0025381 k( 391) = ( 0.5000000 0.5000000 0.7095908), wk = 0.0025381 k( 392) = ( 0.5000000 0.5000000 0.7243739), wk = 0.0025381 k( 393) = ( 0.5000000 0.5000000 0.7391571), wk = 0.0025381 k( 394) = ( 0.5000000 0.5000000 0.7539402), wk = 0.0025381 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025381 k( 2) = ( 0.0000000 0.0147059 0.0000000), wk = 0.0025381 k( 3) = ( 0.0000000 0.0294118 0.0000000), wk = 0.0025381 k( 4) = ( 0.0000000 0.0441177 -0.0000000), wk = 0.0025381 k( 5) = ( 0.0000000 0.0588235 -0.0000000), wk = 0.0025381 k( 6) = ( 0.0000000 0.0735294 -0.0000000), wk = 0.0025381 k( 7) = ( 0.0000000 0.0882353 0.0000000), wk = 0.0025381 k( 8) = ( 0.0000000 0.1029412 -0.0000000), wk = 0.0025381 k( 9) = ( 0.0000000 0.1176471 -0.0000000), wk = 0.0025381 k( 10) = ( 0.0000000 0.1323529 0.0000000), wk = 0.0025381 k( 11) = ( 0.0000000 0.1470588 -0.0000000), wk = 0.0025381 k( 12) = ( 0.0000000 0.1617647 0.0000000), wk = 0.0025381 k( 13) = ( 0.0000000 0.1764706 0.0000000), wk = 0.0025381 k( 14) = ( 0.0000000 0.1911765 -0.0000000), wk = 0.0025381 k( 15) = ( 0.0000000 0.2058823 0.0000000), wk = 0.0025381 k( 16) = ( 0.0000000 0.2205882 0.0000000), wk = 0.0025381 k( 17) = ( 0.0000000 0.2352941 -0.0000000), wk = 0.0025381 k( 18) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0025381 k( 19) = ( 0.0000000 0.2647059 0.0000000), wk = 0.0025381 k( 20) = ( 0.0000000 0.2794118 0.0000000), wk = 0.0025381 k( 21) = ( 0.0000000 0.2941177 0.0000000), wk = 0.0025381 k( 22) = ( 0.0000000 0.3088235 -0.0000000), wk = 0.0025381 k( 23) = ( 0.0000000 0.3235294 -0.0000000), wk = 0.0025381 k( 24) = ( 0.0000000 0.3382353 0.0000000), wk = 0.0025381 k( 25) = ( 0.0000000 0.3529412 0.0000000), wk = 0.0025381 k( 26) = ( 0.0000000 0.3676471 0.0000000), wk = 0.0025381 k( 27) = ( 0.0000000 0.3823529 -0.0000000), wk = 0.0025381 k( 28) = ( 0.0000000 0.3970588 0.0000000), wk = 0.0025381 k( 29) = ( 0.0000000 0.4117647 0.0000000), wk = 0.0025381 k( 30) = ( 0.0000000 0.4264706 0.0000000), wk = 0.0025381 k( 31) = ( 0.0000000 0.4411765 -0.0000000), wk = 0.0025381 k( 32) = ( 0.0000000 0.4558823 -0.0000000), wk = 0.0025381 k( 33) = ( 0.0000000 0.4705882 -0.0000000), wk = 0.0025381 k( 34) = ( 0.0000000 0.4852941 -0.0000000), wk = 0.0025381 k( 35) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0025381 k( 36) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0025381 k( 37) = ( 0.0147059 0.5000000 0.0000000), wk = 0.0025381 k( 38) = ( 0.0294118 0.5000000 0.0000000), wk = 0.0025381 k( 39) = ( 0.0441177 0.5000000 0.0000000), wk = 0.0025381 k( 40) = ( 0.0588235 0.5000000 -0.0000000), wk = 0.0025381 k( 41) = ( 0.0735294 0.5000000 0.0000000), wk = 0.0025381 k( 42) = ( 0.0882353 0.5000000 -0.0000000), wk = 0.0025381 k( 43) = ( 0.1029412 0.5000000 -0.0000000), wk = 0.0025381 k( 44) = ( 0.1176471 0.5000000 0.0000000), wk = 0.0025381 k( 45) = ( 0.1323529 0.5000000 0.0000000), wk = 0.0025381 k( 46) = ( 0.1470588 0.5000000 -0.0000000), wk = 0.0025381 k( 47) = ( 0.1617647 0.5000000 0.0000000), wk = 0.0025381 k( 48) = ( 0.1764706 0.5000000 0.0000000), wk = 0.0025381 k( 49) = ( 0.1911765 0.5000000 0.0000000), wk = 0.0025381 k( 50) = ( 0.2058823 0.5000000 0.0000000), wk = 0.0025381 k( 51) = ( 0.2205882 0.5000000 0.0000000), wk = 0.0025381 k( 52) = ( 0.2352941 0.5000000 0.0000000), wk = 0.0025381 k( 53) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0025381 k( 54) = ( 0.2647059 0.5000000 0.0000000), wk = 0.0025381 k( 55) = ( 0.2794118 0.5000000 -0.0000000), wk = 0.0025381 k( 56) = ( 0.2941177 0.5000000 -0.0000000), wk = 0.0025381 k( 57) = ( 0.3088235 0.5000000 0.0000000), wk = 0.0025381 k( 58) = ( 0.3235294 0.5000000 0.0000000), wk = 0.0025381 k( 59) = ( 0.3382353 0.5000000 0.0000000), wk = 0.0025381 k( 60) = ( 0.3529412 0.5000000 -0.0000000), wk = 0.0025381 k( 61) = ( 0.3676471 0.5000000 -0.0000000), wk = 0.0025381 k( 62) = ( 0.3823529 0.5000000 -0.0000000), wk = 0.0025381 k( 63) = ( 0.3970588 0.5000000 0.0000000), wk = 0.0025381 k( 64) = ( 0.4117647 0.5000000 -0.0000000), wk = 0.0025381 k( 65) = ( 0.4264706 0.5000000 -0.0000000), wk = 0.0025381 k( 66) = ( 0.4411765 0.5000000 0.0000000), wk = 0.0025381 k( 67) = ( 0.4558823 0.5000000 0.0000000), wk = 0.0025381 k( 68) = ( 0.4705882 0.5000000 -0.0000000), wk = 0.0025381 k( 69) = ( 0.4852941 0.5000000 0.0000000), wk = 0.0025381 k( 70) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0025381 k( 71) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0025381 k( 72) = ( 0.4895833 0.4895833 0.0000000), wk = 0.0025381 k( 73) = ( 0.4791667 0.4791667 0.0000000), wk = 0.0025381 k( 74) = ( 0.4687500 0.4687500 0.0000000), wk = 0.0025381 k( 75) = ( 0.4583333 0.4583333 0.0000000), wk = 0.0025381 k( 76) = ( 0.4479167 0.4479167 0.0000000), wk = 0.0025381 k( 77) = ( 0.4375000 0.4375000 -0.0000000), wk = 0.0025381 k( 78) = ( 0.4270833 0.4270833 0.0000000), wk = 0.0025381 k( 79) = ( 0.4166667 0.4166667 -0.0000000), wk = 0.0025381 k( 80) = ( 0.4062500 0.4062500 0.0000000), wk = 0.0025381 k( 81) = ( 0.3958333 0.3958333 0.0000000), wk = 0.0025381 k( 82) = ( 0.3854167 0.3854167 -0.0000000), wk = 0.0025381 k( 83) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0025381 k( 84) = ( 0.3645833 0.3645833 0.0000000), wk = 0.0025381 k( 85) = ( 0.3541667 0.3541667 0.0000000), wk = 0.0025381 k( 86) = ( 0.3437500 0.3437500 0.0000000), wk = 0.0025381 k( 87) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0025381 k( 88) = ( 0.3229167 0.3229167 -0.0000000), wk = 0.0025381 k( 89) = ( 0.3125000 0.3125000 0.0000000), wk = 0.0025381 k( 90) = ( 0.3020833 0.3020833 0.0000000), wk = 0.0025381 k( 91) = ( 0.2916667 0.2916667 0.0000000), wk = 0.0025381 k( 92) = ( 0.2812500 0.2812500 -0.0000000), wk = 0.0025381 k( 93) = ( 0.2708333 0.2708333 0.0000000), wk = 0.0025381 k( 94) = ( 0.2604167 0.2604167 0.0000000), wk = 0.0025381 k( 95) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0025381 k( 96) = ( 0.2395833 0.2395833 0.0000000), wk = 0.0025381 k( 97) = ( 0.2291667 0.2291667 0.0000000), wk = 0.0025381 k( 98) = ( 0.2187500 0.2187500 -0.0000000), wk = 0.0025381 k( 99) = ( 0.2083333 0.2083333 0.0000000), wk = 0.0025381 k( 100) = ( 0.1979167 0.1979167 0.0000000), wk = 0.0025381 k( 101) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0025381 k( 102) = ( 0.1770833 0.1770833 0.0000000), wk = 0.0025381 k( 103) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0025381 k( 104) = ( 0.1562500 0.1562500 0.0000000), wk = 0.0025381 k( 105) = ( 0.1458333 0.1458333 -0.0000000), wk = 0.0025381 k( 106) = ( 0.1354167 0.1354167 0.0000000), wk = 0.0025381 k( 107) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0025381 k( 108) = ( 0.1145833 0.1145833 0.0000000), wk = 0.0025381 k( 109) = ( 0.1041667 0.1041667 0.0000000), wk = 0.0025381 k( 110) = ( 0.0937500 0.0937500 -0.0000000), wk = 0.0025381 k( 111) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0025381 k( 112) = ( 0.0729167 0.0729167 0.0000000), wk = 0.0025381 k( 113) = ( 0.0625000 0.0625000 0.0000000), wk = 0.0025381 k( 114) = ( 0.0520833 0.0520833 0.0000000), wk = 0.0025381 k( 115) = ( 0.0416667 0.0416667 -0.0000000), wk = 0.0025381 k( 116) = ( 0.0312500 0.0312500 0.0000000), wk = 0.0025381 k( 117) = ( 0.0208333 0.0208333 0.0000000), wk = 0.0025381 k( 118) = ( 0.0104167 0.0104167 -0.0000000), wk = 0.0025381 k( 119) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025381 k( 120) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025381 k( 121) = ( 0.0000000 0.0000000 0.0098039), wk = 0.0025381 k( 122) = ( 0.0000000 0.0000000 0.0196078), wk = 0.0025381 k( 123) = ( 0.0000000 0.0000000 0.0294118), wk = 0.0025381 k( 124) = ( 0.0000000 0.0000000 0.0392157), wk = 0.0025381 k( 125) = ( 0.0000000 0.0000000 0.0490196), wk = 0.0025381 k( 126) = ( 0.0000000 0.0000000 0.0588235), wk = 0.0025381 k( 127) = ( 0.0000000 0.0000000 0.0686275), wk = 0.0025381 k( 128) = ( 0.0000000 0.0000000 0.0784314), wk = 0.0025381 k( 129) = ( 0.0000000 0.0000000 0.0882353), wk = 0.0025381 k( 130) = ( 0.0000000 0.0000000 0.0980392), wk = 0.0025381 k( 131) = ( 0.0000000 0.0000000 0.1078431), wk = 0.0025381 k( 132) = ( 0.0000000 0.0000000 0.1176471), wk = 0.0025381 k( 133) = ( 0.0000000 0.0000000 0.1274510), wk = 0.0025381 k( 134) = ( 0.0000000 0.0000000 0.1372549), wk = 0.0025381 k( 135) = ( 0.0000000 0.0000000 0.1470588), wk = 0.0025381 k( 136) = ( 0.0000000 0.0000000 0.1568627), wk = 0.0025381 k( 137) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0025381 k( 138) = ( 0.0000000 0.0000000 0.1764706), wk = 0.0025381 k( 139) = ( 0.0000000 0.0000000 0.1862745), wk = 0.0025381 k( 140) = ( 0.0000000 0.0000000 0.1960784), wk = 0.0025381 k( 141) = ( 0.0000000 0.0000000 0.2058823), wk = 0.0025381 k( 142) = ( 0.0000000 0.0000000 0.2156863), wk = 0.0025381 k( 143) = ( 0.0000000 0.0000000 0.2254902), wk = 0.0025381 k( 144) = ( 0.0000000 0.0000000 0.2352941), wk = 0.0025381 k( 145) = ( 0.0000000 0.0000000 0.2450980), wk = 0.0025381 k( 146) = ( 0.0000000 0.0000000 0.2549020), wk = 0.0025381 k( 147) = ( 0.0000000 0.0000000 0.2647059), wk = 0.0025381 k( 148) = ( 0.0000000 0.0000000 0.2745098), wk = 0.0025381 k( 149) = ( 0.0000000 0.0000000 0.2843137), wk = 0.0025381 k( 150) = ( 0.0000000 0.0000000 0.2941177), wk = 0.0025381 k( 151) = ( 0.0000000 0.0000000 0.3039216), wk = 0.0025381 k( 152) = ( 0.0000000 0.0000000 0.3137255), wk = 0.0025381 k( 153) = ( 0.0000000 0.0000000 0.3235294), wk = 0.0025381 k( 154) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0025381 k( 155) = ( 0.0000000 0.0000000 0.3431373), wk = 0.0025381 k( 156) = ( 0.0000000 0.0000000 0.3529412), wk = 0.0025381 k( 157) = ( 0.0000000 0.0000000 0.3627451), wk = 0.0025381 k( 158) = ( 0.0000000 0.0000000 0.3725490), wk = 0.0025381 k( 159) = ( 0.0000000 0.0000000 0.3823529), wk = 0.0025381 k( 160) = ( 0.0000000 0.0000000 0.3921569), wk = 0.0025381 k( 161) = ( 0.0000000 0.0000000 0.4019608), wk = 0.0025381 k( 162) = ( 0.0000000 0.0000000 0.4117647), wk = 0.0025381 k( 163) = ( 0.0000000 0.0000000 0.4215686), wk = 0.0025381 k( 164) = ( 0.0000000 0.0000000 0.4313726), wk = 0.0025381 k( 165) = ( 0.0000000 0.0000000 0.4411765), wk = 0.0025381 k( 166) = ( 0.0000000 0.0000000 0.4509804), wk = 0.0025381 k( 167) = ( 0.0000000 0.0000000 0.4607843), wk = 0.0025381 k( 168) = ( 0.0000000 0.0000000 0.4705882), wk = 0.0025381 k( 169) = ( 0.0000000 0.0000000 0.4803922), wk = 0.0025381 k( 170) = ( 0.0000000 0.0000000 0.4901961), wk = 0.0025381 k( 171) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025381 k( 172) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025381 k( 173) = ( 0.0000000 0.0147059 0.5000000), wk = 0.0025381 k( 174) = ( 0.0000000 0.0294118 0.5000000), wk = 0.0025381 k( 175) = ( 0.0000000 0.0441177 0.5000000), wk = 0.0025381 k( 176) = ( 0.0000000 0.0588235 0.5000000), wk = 0.0025381 k( 177) = ( 0.0000000 0.0735294 0.5000000), wk = 0.0025381 k( 178) = ( 0.0000000 0.0882353 0.5000000), wk = 0.0025381 k( 179) = ( 0.0000000 0.1029412 0.5000000), wk = 0.0025381 k( 180) = ( 0.0000000 0.1176471 0.5000000), wk = 0.0025381 k( 181) = ( 0.0000000 0.1323529 0.5000000), wk = 0.0025381 k( 182) = ( 0.0000000 0.1470588 0.5000000), wk = 0.0025381 k( 183) = ( 0.0000000 0.1617647 0.5000000), wk = 0.0025381 k( 184) = ( 0.0000000 0.1764706 0.5000000), wk = 0.0025381 k( 185) = ( 0.0000000 0.1911765 0.5000000), wk = 0.0025381 k( 186) = ( 0.0000000 0.2058823 0.5000000), wk = 0.0025381 k( 187) = ( 0.0000000 0.2205882 0.5000000), wk = 0.0025381 k( 188) = ( 0.0000000 0.2352941 0.5000000), wk = 0.0025381 k( 189) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0025381 k( 190) = ( 0.0000000 0.2647059 0.5000000), wk = 0.0025381 k( 191) = ( 0.0000000 0.2794118 0.5000000), wk = 0.0025381 k( 192) = ( 0.0000000 0.2941177 0.5000000), wk = 0.0025381 k( 193) = ( 0.0000000 0.3088235 0.5000000), wk = 0.0025381 k( 194) = ( 0.0000000 0.3235294 0.5000000), wk = 0.0025381 k( 195) = ( 0.0000000 0.3382353 0.5000000), wk = 0.0025381 k( 196) = ( 0.0000000 0.3529412 0.5000000), wk = 0.0025381 k( 197) = ( 0.0000000 0.3676471 0.5000000), wk = 0.0025381 k( 198) = ( 0.0000000 0.3823529 0.5000000), wk = 0.0025381 k( 199) = ( 0.0000000 0.3970588 0.5000000), wk = 0.0025381 k( 200) = ( 0.0000000 0.4117647 0.5000000), wk = 0.0025381 k( 201) = ( 0.0000000 0.4264706 0.5000000), wk = 0.0025381 k( 202) = ( 0.0000000 0.4411765 0.5000000), wk = 0.0025381 k( 203) = ( 0.0000000 0.4558823 0.5000000), wk = 0.0025381 k( 204) = ( 0.0000000 0.4705882 0.5000000), wk = 0.0025381 k( 205) = ( 0.0000000 0.4852941 0.5000000), wk = 0.0025381 k( 206) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025381 k( 207) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025381 k( 208) = ( 0.0147059 0.5000000 0.5000000), wk = 0.0025381 k( 209) = ( 0.0294118 0.5000000 0.5000000), wk = 0.0025381 k( 210) = ( 0.0441177 0.5000000 0.5000000), wk = 0.0025381 k( 211) = ( 0.0588235 0.5000000 0.5000000), wk = 0.0025381 k( 212) = ( 0.0735294 0.5000000 0.5000000), wk = 0.0025381 k( 213) = ( 0.0882353 0.5000000 0.5000000), wk = 0.0025381 k( 214) = ( 0.1029412 0.5000000 0.5000000), wk = 0.0025381 k( 215) = ( 0.1176471 0.5000000 0.5000000), wk = 0.0025381 k( 216) = ( 0.1323529 0.5000000 0.5000000), wk = 0.0025381 k( 217) = ( 0.1470588 0.5000000 0.5000000), wk = 0.0025381 k( 218) = ( 0.1617647 0.5000000 0.5000000), wk = 0.0025381 k( 219) = ( 0.1764706 0.5000000 0.5000000), wk = 0.0025381 k( 220) = ( 0.1911765 0.5000000 0.5000000), wk = 0.0025381 k( 221) = ( 0.2058823 0.5000000 0.5000000), wk = 0.0025381 k( 222) = ( 0.2205882 0.5000000 0.5000000), wk = 0.0025381 k( 223) = ( 0.2352941 0.5000000 0.5000000), wk = 0.0025381 k( 224) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0025381 k( 225) = ( 0.2647059 0.5000000 0.5000000), wk = 0.0025381 k( 226) = ( 0.2794118 0.5000000 0.5000000), wk = 0.0025381 k( 227) = ( 0.2941177 0.5000000 0.5000000), wk = 0.0025381 k( 228) = ( 0.3088235 0.5000000 0.5000000), wk = 0.0025381 k( 229) = ( 0.3235294 0.5000000 0.5000000), wk = 0.0025381 k( 230) = ( 0.3382353 0.5000000 0.5000000), wk = 0.0025381 k( 231) = ( 0.3529412 0.5000000 0.5000000), wk = 0.0025381 k( 232) = ( 0.3676471 0.5000000 0.5000000), wk = 0.0025381 k( 233) = ( 0.3823529 0.5000000 0.5000000), wk = 0.0025381 k( 234) = ( 0.3970588 0.5000000 0.5000000), wk = 0.0025381 k( 235) = ( 0.4117647 0.5000000 0.5000000), wk = 0.0025381 k( 236) = ( 0.4264706 0.5000000 0.5000000), wk = 0.0025381 k( 237) = ( 0.4411765 0.5000000 0.5000000), wk = 0.0025381 k( 238) = ( 0.4558823 0.5000000 0.5000000), wk = 0.0025381 k( 239) = ( 0.4705882 0.5000000 0.5000000), wk = 0.0025381 k( 240) = ( 0.4852941 0.5000000 0.5000000), wk = 0.0025381 k( 241) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025381 k( 242) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025381 k( 243) = ( 0.4895833 0.4895833 0.5000000), wk = 0.0025381 k( 244) = ( 0.4791667 0.4791667 0.5000000), wk = 0.0025381 k( 245) = ( 0.4687500 0.4687500 0.5000000), wk = 0.0025381 k( 246) = ( 0.4583333 0.4583333 0.5000000), wk = 0.0025381 k( 247) = ( 0.4479167 0.4479167 0.5000000), wk = 0.0025381 k( 248) = ( 0.4375000 0.4375000 0.5000000), wk = 0.0025381 k( 249) = ( 0.4270833 0.4270833 0.5000000), wk = 0.0025381 k( 250) = ( 0.4166667 0.4166667 0.5000000), wk = 0.0025381 k( 251) = ( 0.4062500 0.4062500 0.5000000), wk = 0.0025381 k( 252) = ( 0.3958333 0.3958333 0.5000000), wk = 0.0025381 k( 253) = ( 0.3854167 0.3854167 0.5000000), wk = 0.0025381 k( 254) = ( 0.3750000 0.3750000 0.5000000), wk = 0.0025381 k( 255) = ( 0.3645833 0.3645833 0.5000000), wk = 0.0025381 k( 256) = ( 0.3541667 0.3541667 0.5000000), wk = 0.0025381 k( 257) = ( 0.3437500 0.3437500 0.5000000), wk = 0.0025381 k( 258) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0025381 k( 259) = ( 0.3229167 0.3229167 0.5000000), wk = 0.0025381 k( 260) = ( 0.3125000 0.3125000 0.5000000), wk = 0.0025381 k( 261) = ( 0.3020833 0.3020833 0.5000000), wk = 0.0025381 k( 262) = ( 0.2916667 0.2916667 0.5000000), wk = 0.0025381 k( 263) = ( 0.2812500 0.2812500 0.5000000), wk = 0.0025381 k( 264) = ( 0.2708333 0.2708333 0.5000000), wk = 0.0025381 k( 265) = ( 0.2604167 0.2604167 0.5000000), wk = 0.0025381 k( 266) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0025381 k( 267) = ( 0.2395833 0.2395833 0.5000000), wk = 0.0025381 k( 268) = ( 0.2291667 0.2291667 0.5000000), wk = 0.0025381 k( 269) = ( 0.2187500 0.2187500 0.5000000), wk = 0.0025381 k( 270) = ( 0.2083333 0.2083333 0.5000000), wk = 0.0025381 k( 271) = ( 0.1979167 0.1979167 0.5000000), wk = 0.0025381 k( 272) = ( 0.1875000 0.1875000 0.5000000), wk = 0.0025381 k( 273) = ( 0.1770833 0.1770833 0.5000000), wk = 0.0025381 k( 274) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0025381 k( 275) = ( 0.1562500 0.1562500 0.5000000), wk = 0.0025381 k( 276) = ( 0.1458333 0.1458333 0.5000000), wk = 0.0025381 k( 277) = ( 0.1354167 0.1354167 0.5000000), wk = 0.0025381 k( 278) = ( 0.1250000 0.1250000 0.5000000), wk = 0.0025381 k( 279) = ( 0.1145833 0.1145833 0.5000000), wk = 0.0025381 k( 280) = ( 0.1041667 0.1041667 0.5000000), wk = 0.0025381 k( 281) = ( 0.0937500 0.0937500 0.5000000), wk = 0.0025381 k( 282) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0025381 k( 283) = ( 0.0729167 0.0729167 0.5000000), wk = 0.0025381 k( 284) = ( 0.0625000 0.0625000 0.5000000), wk = 0.0025381 k( 285) = ( 0.0520833 0.0520833 0.5000000), wk = 0.0025381 k( 286) = ( 0.0416667 0.0416667 0.5000000), wk = 0.0025381 k( 287) = ( 0.0312500 0.0312500 0.5000000), wk = 0.0025381 k( 288) = ( 0.0208333 0.0208333 0.5000000), wk = 0.0025381 k( 289) = ( 0.0104167 0.0104167 0.5000000), wk = 0.0025381 k( 290) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025381 k( 291) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0025381 k( 292) = ( 0.0000000 0.5000000 0.0098039), wk = 0.0025381 k( 293) = ( 0.0000000 0.5000000 0.0196078), wk = 0.0025381 k( 294) = ( 0.0000000 0.5000000 0.0294118), wk = 0.0025381 k( 295) = ( 0.0000000 0.5000000 0.0392157), wk = 0.0025381 k( 296) = ( 0.0000000 0.5000000 0.0490196), wk = 0.0025381 k( 297) = ( 0.0000000 0.5000000 0.0588235), wk = 0.0025381 k( 298) = ( 0.0000000 0.5000000 0.0686275), wk = 0.0025381 k( 299) = ( 0.0000000 0.5000000 0.0784314), wk = 0.0025381 k( 300) = ( 0.0000000 0.5000000 0.0882353), wk = 0.0025381 k( 301) = ( 0.0000000 0.5000000 0.0980392), wk = 0.0025381 k( 302) = ( 0.0000000 0.5000000 0.1078431), wk = 0.0025381 k( 303) = ( 0.0000000 0.5000000 0.1176471), wk = 0.0025381 k( 304) = ( 0.0000000 0.5000000 0.1274510), wk = 0.0025381 k( 305) = ( 0.0000000 0.5000000 0.1372549), wk = 0.0025381 k( 306) = ( 0.0000000 0.5000000 0.1470588), wk = 0.0025381 k( 307) = ( 0.0000000 0.5000000 0.1568627), wk = 0.0025381 k( 308) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0025381 k( 309) = ( 0.0000000 0.5000000 0.1764706), wk = 0.0025381 k( 310) = ( 0.0000000 0.5000000 0.1862745), wk = 0.0025381 k( 311) = ( 0.0000000 0.5000000 0.1960784), wk = 0.0025381 k( 312) = ( 0.0000000 0.5000000 0.2058823), wk = 0.0025381 k( 313) = ( 0.0000000 0.5000000 0.2156863), wk = 0.0025381 k( 314) = ( 0.0000000 0.5000000 0.2254902), wk = 0.0025381 k( 315) = ( 0.0000000 0.5000000 0.2352941), wk = 0.0025381 k( 316) = ( 0.0000000 0.5000000 0.2450980), wk = 0.0025381 k( 317) = ( 0.0000000 0.5000000 0.2549020), wk = 0.0025381 k( 318) = ( 0.0000000 0.5000000 0.2647059), wk = 0.0025381 k( 319) = ( 0.0000000 0.5000000 0.2745098), wk = 0.0025381 k( 320) = ( 0.0000000 0.5000000 0.2843137), wk = 0.0025381 k( 321) = ( 0.0000000 0.5000000 0.2941177), wk = 0.0025381 k( 322) = ( 0.0000000 0.5000000 0.3039216), wk = 0.0025381 k( 323) = ( 0.0000000 0.5000000 0.3137255), wk = 0.0025381 k( 324) = ( 0.0000000 0.5000000 0.3235294), wk = 0.0025381 k( 325) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0025381 k( 326) = ( 0.0000000 0.5000000 0.3431372), wk = 0.0025381 k( 327) = ( 0.0000000 0.5000000 0.3529412), wk = 0.0025381 k( 328) = ( 0.0000000 0.5000000 0.3627451), wk = 0.0025381 k( 329) = ( 0.0000000 0.5000000 0.3725490), wk = 0.0025381 k( 330) = ( 0.0000000 0.5000000 0.3823529), wk = 0.0025381 k( 331) = ( 0.0000000 0.5000000 0.3921569), wk = 0.0025381 k( 332) = ( 0.0000000 0.5000000 0.4019608), wk = 0.0025381 k( 333) = ( 0.0000000 0.5000000 0.4117647), wk = 0.0025381 k( 334) = ( 0.0000000 0.5000000 0.4215686), wk = 0.0025381 k( 335) = ( 0.0000000 0.5000000 0.4313726), wk = 0.0025381 k( 336) = ( 0.0000000 0.5000000 0.4411765), wk = 0.0025381 k( 337) = ( 0.0000000 0.5000000 0.4509804), wk = 0.0025381 k( 338) = ( 0.0000000 0.5000000 0.4607843), wk = 0.0025381 k( 339) = ( 0.0000000 0.5000000 0.4705882), wk = 0.0025381 k( 340) = ( 0.0000000 0.5000000 0.4803922), wk = 0.0025381 k( 341) = ( 0.0000000 0.5000000 0.4901961), wk = 0.0025381 k( 342) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025381 k( 343) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0025381 k( 344) = ( 0.5000000 0.5000000 0.0098039), wk = 0.0025381 k( 345) = ( 0.5000000 0.5000000 0.0196078), wk = 0.0025381 k( 346) = ( 0.5000000 0.5000000 0.0294118), wk = 0.0025381 k( 347) = ( 0.5000000 0.5000000 0.0392157), wk = 0.0025381 k( 348) = ( 0.5000000 0.5000000 0.0490196), wk = 0.0025381 k( 349) = ( 0.5000000 0.5000000 0.0588235), wk = 0.0025381 k( 350) = ( 0.5000000 0.5000000 0.0686275), wk = 0.0025381 k( 351) = ( 0.5000000 0.5000000 0.0784314), wk = 0.0025381 k( 352) = ( 0.5000000 0.5000000 0.0882353), wk = 0.0025381 k( 353) = ( 0.5000000 0.5000000 0.0980392), wk = 0.0025381 k( 354) = ( 0.5000000 0.5000000 0.1078431), wk = 0.0025381 k( 355) = ( 0.5000000 0.5000000 0.1176471), wk = 0.0025381 k( 356) = ( 0.5000000 0.5000000 0.1274510), wk = 0.0025381 k( 357) = ( 0.5000000 0.5000000 0.1372549), wk = 0.0025381 k( 358) = ( 0.5000000 0.5000000 0.1470588), wk = 0.0025381 k( 359) = ( 0.5000000 0.5000000 0.1568627), wk = 0.0025381 k( 360) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0025381 k( 361) = ( 0.5000000 0.5000000 0.1764706), wk = 0.0025381 k( 362) = ( 0.5000000 0.5000000 0.1862745), wk = 0.0025381 k( 363) = ( 0.5000000 0.5000000 0.1960784), wk = 0.0025381 k( 364) = ( 0.5000000 0.5000000 0.2058823), wk = 0.0025381 k( 365) = ( 0.5000000 0.5000000 0.2156863), wk = 0.0025381 k( 366) = ( 0.5000000 0.5000000 0.2254902), wk = 0.0025381 k( 367) = ( 0.5000000 0.5000000 0.2352941), wk = 0.0025381 k( 368) = ( 0.5000000 0.5000000 0.2450980), wk = 0.0025381 k( 369) = ( 0.5000000 0.5000000 0.2549020), wk = 0.0025381 k( 370) = ( 0.5000000 0.5000000 0.2647059), wk = 0.0025381 k( 371) = ( 0.5000000 0.5000000 0.2745098), wk = 0.0025381 k( 372) = ( 0.5000000 0.5000000 0.2843137), wk = 0.0025381 k( 373) = ( 0.5000000 0.5000000 0.2941177), wk = 0.0025381 k( 374) = ( 0.5000000 0.5000000 0.3039216), wk = 0.0025381 k( 375) = ( 0.5000000 0.5000000 0.3137255), wk = 0.0025381 k( 376) = ( 0.5000000 0.5000000 0.3235294), wk = 0.0025381 k( 377) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0025381 k( 378) = ( 0.5000000 0.5000000 0.3431373), wk = 0.0025381 k( 379) = ( 0.5000000 0.5000000 0.3529412), wk = 0.0025381 k( 380) = ( 0.5000000 0.5000000 0.3627451), wk = 0.0025381 k( 381) = ( 0.5000000 0.5000000 0.3725490), wk = 0.0025381 k( 382) = ( 0.5000000 0.5000000 0.3823529), wk = 0.0025381 k( 383) = ( 0.5000000 0.5000000 0.3921569), wk = 0.0025381 k( 384) = ( 0.5000000 0.5000000 0.4019608), wk = 0.0025381 k( 385) = ( 0.5000000 0.5000000 0.4117647), wk = 0.0025381 k( 386) = ( 0.5000000 0.5000000 0.4215686), wk = 0.0025381 k( 387) = ( 0.5000000 0.5000000 0.4313726), wk = 0.0025381 k( 388) = ( 0.5000000 0.5000000 0.4411765), wk = 0.0025381 k( 389) = ( 0.5000000 0.5000000 0.4509804), wk = 0.0025381 k( 390) = ( 0.5000000 0.5000000 0.4607843), wk = 0.0025381 k( 391) = ( 0.5000000 0.5000000 0.4705882), wk = 0.0025381 k( 392) = ( 0.5000000 0.5000000 0.4803922), wk = 0.0025381 k( 393) = ( 0.5000000 0.5000000 0.4901961), wk = 0.0025381 k( 394) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025381 Dense grid: 42885 G-vectors FFT dimensions: ( 50, 50, 36) Smooth grid: 21475 G-vectors FFT dimensions: ( 40, 40, 27) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.15 Mb ( 164, 58) NL pseudopotentials 0.16 Mb ( 82, 124) Each V/rho on FFT grid 0.04 Mb ( 2500) Each G-vector array 0.01 Mb ( 1192) G-vector shells 0.00 Mb ( 553) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.58 Mb ( 164, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.22 Mb ( 124, 2, 58) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./NiF2.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.8 secs Computing kpt #: 2 total cpu time spent up to now is 2.2 secs Computing kpt #: 3 total cpu time spent up to now is 2.5 secs Computing kpt #: 4 total cpu time spent up to now is 2.8 secs Computing kpt #: 5 total cpu time spent up to now is 3.1 secs Computing kpt #: 6 total cpu time spent up to now is 3.4 secs Computing kpt #: 7 total cpu time spent up to now is 3.6 secs Computing kpt #: 8 total cpu time spent up to now is 3.9 secs Computing kpt #: 9 total cpu time spent up to now is 4.2 secs Computing kpt #: 10 total cpu time spent up to now is 4.5 secs Computing kpt #: 11 total cpu time spent up to now is 4.8 secs Computing kpt #: 12 total cpu time spent up to now is 5.0 secs Computing kpt #: 13 total cpu time spent up to now is 5.3 secs Computing kpt #: 14 total cpu time spent up to now is 5.6 secs Computing kpt #: 15 total cpu time spent up to now is 5.9 secs Computing kpt #: 16 total cpu time spent up to now is 6.1 secs Computing kpt #: 17 total cpu time spent up to now is 6.4 secs Computing kpt #: 18 total cpu time spent up to now is 6.7 secs Computing kpt #: 19 total cpu time spent up to now is 7.0 secs Computing kpt #: 20 total cpu time spent up to now is 7.3 secs Computing kpt #: 21 total cpu time spent up to now is 7.6 secs Computing kpt #: 22 total cpu time spent up to now is 7.8 secs Computing kpt #: 23 total cpu time spent up to now is 8.1 secs Computing kpt #: 24 total cpu time spent up to now is 8.4 secs Computing kpt #: 25 total cpu time spent up to now is 8.7 secs Computing kpt #: 26 total cpu time spent up to now is 9.0 secs Computing kpt #: 27 total cpu time spent up to now is 9.3 secs Computing kpt #: 28 total cpu time spent up to now is 9.7 secs Computing kpt #: 29 total cpu time spent up to now is 10.0 secs Computing kpt #: 30 total cpu time spent up to now is 10.3 secs Computing kpt #: 31 total cpu time spent up to now is 10.7 secs Computing kpt #: 32 total cpu time spent up to now is 11.1 secs Computing kpt #: 33 total cpu time spent up to now is 11.4 secs Computing kpt #: 34 total cpu time spent up to now is 11.8 secs Computing kpt #: 35 total cpu time spent up to now is 12.1 secs Computing kpt #: 36 total cpu time spent up to now is 12.4 secs Computing kpt #: 37 total cpu time spent up to now is 12.6 secs Computing kpt #: 38 total cpu time spent up to now is 12.9 secs Computing kpt #: 39 total cpu time spent up to now is 13.2 secs Computing kpt #: 40 total cpu time spent up to now is 13.5 secs Computing kpt #: 41 total cpu time spent up to now is 13.7 secs Computing kpt #: 42 total cpu time spent up to now is 14.0 secs Computing kpt #: 43 total cpu time spent up to now is 14.3 secs Computing kpt #: 44 total cpu time spent up to now is 14.5 secs Computing kpt #: 45 total cpu time spent up to now is 14.8 secs Computing kpt #: 46 total cpu time spent up to now is 15.1 secs Computing kpt #: 47 total cpu time spent up to now is 15.3 secs Computing kpt #: 48 total cpu time spent up to now is 15.6 secs Computing kpt #: 49 total cpu time spent up to now is 15.9 secs Computing kpt #: 50 total cpu time spent up to now is 16.1 secs Computing kpt #: 51 total cpu time spent up to now is 16.4 secs Computing kpt #: 52 total cpu time spent up to now is 16.7 secs Computing kpt #: 53 total cpu time spent up to now is 16.9 secs Computing kpt #: 54 total cpu time spent up to now is 17.2 secs Computing kpt #: 55 total cpu time spent up to now is 17.4 secs Computing kpt #: 56 total cpu time spent up to now is 17.7 secs Computing kpt #: 57 total cpu time spent up to now is 18.0 secs Computing kpt #: 58 total cpu time spent up to now is 18.2 secs Computing kpt #: 59 total cpu time spent up to now is 18.5 secs Computing kpt #: 60 total cpu time spent up to now is 18.8 secs Computing kpt #: 61 total cpu time spent up to now is 19.1 secs Computing kpt #: 62 total cpu time spent up to now is 19.3 secs Computing kpt #: 63 total cpu time spent up to now is 19.6 secs Computing kpt #: 64 total cpu time spent up to now is 19.9 secs Computing kpt #: 65 total cpu time spent up to now is 20.1 secs Computing kpt #: 66 total cpu time spent up to now is 20.4 secs Computing kpt #: 67 total cpu time spent up to now is 20.7 secs Computing kpt #: 68 total cpu time spent up to now is 21.0 secs Computing kpt #: 69 total cpu time spent up to now is 21.2 secs Computing kpt #: 70 total cpu time spent up to now is 21.5 secs Computing kpt #: 71 total cpu time spent up to now is 21.8 secs Computing kpt #: 72 total cpu time spent up to now is 22.0 secs Computing kpt #: 73 total cpu time spent up to now is 22.3 secs Computing kpt #: 74 total cpu time spent up to now is 22.6 secs Computing kpt #: 75 total cpu time spent up to now is 22.9 secs Computing kpt #: 76 total cpu time spent up to now is 23.2 secs Computing kpt #: 77 total cpu time spent up to now is 23.5 secs Computing kpt #: 78 total cpu time spent up to now is 23.8 secs Computing kpt #: 79 total cpu time spent up to now is 24.1 secs Computing kpt #: 80 total cpu time spent up to now is 24.4 secs Computing kpt #: 81 total cpu time spent up to now is 24.6 secs Computing kpt #: 82 total cpu time spent up to now is 24.9 secs Computing kpt #: 83 total cpu time spent up to now is 25.2 secs Computing kpt #: 84 total cpu time spent up to now is 25.5 secs Computing kpt #: 85 total cpu time spent up to now is 25.7 secs Computing kpt #: 86 total cpu time spent up to now is 26.0 secs Computing kpt #: 87 total cpu time spent up to now is 26.3 secs Computing kpt #: 88 total cpu time spent up to now is 26.6 secs Computing kpt #: 89 total cpu time spent up to now is 26.8 secs Computing kpt #: 90 total cpu time spent up to now is 27.1 secs Computing kpt #: 91 total cpu time spent up to now is 27.3 secs Computing kpt #: 92 total cpu time spent up to now is 27.6 secs Computing kpt #: 93 total cpu time spent up to now is 27.8 secs Computing kpt #: 94 total cpu time spent up to now is 28.1 secs Computing kpt #: 95 total cpu time spent up to now is 28.4 secs Computing kpt #: 96 total cpu time spent up to now is 28.6 secs Computing kpt #: 97 total cpu time spent up to now is 28.9 secs Computing kpt #: 98 total cpu time spent up to now is 29.1 secs Computing kpt #: 99 total cpu time spent up to now is 29.4 secs Computing kpt #: 100 total cpu time spent up to now is 29.7 secs Computing kpt #: 101 total cpu time spent up to now is 29.9 secs Computing kpt #: 102 total cpu time spent up to now is 30.2 secs Computing kpt #: 103 total cpu time spent up to now is 30.5 secs Computing kpt #: 104 total cpu time spent up to now is 30.7 secs Computing kpt #: 105 total cpu time spent up to now is 31.0 secs Computing kpt #: 106 total cpu time spent up to now is 31.3 secs Computing kpt #: 107 total cpu time spent up to now is 31.5 secs Computing kpt #: 108 total cpu time spent up to now is 31.8 secs Computing kpt #: 109 total cpu time spent up to now is 32.1 secs Computing kpt #: 110 total cpu time spent up to now is 32.4 secs Computing kpt #: 111 total cpu time spent up to now is 32.7 secs Computing kpt #: 112 total cpu time spent up to now is 32.9 secs Computing kpt #: 113 total cpu time spent up to now is 33.2 secs Computing kpt #: 114 total cpu time spent up to now is 33.5 secs Computing kpt #: 115 total cpu time spent up to now is 33.8 secs Computing kpt #: 116 total cpu time spent up to now is 34.1 secs Computing kpt #: 117 total cpu time spent up to now is 34.4 secs Computing kpt #: 118 total cpu time spent up to now is 34.7 secs Computing kpt #: 119 total cpu time spent up to now is 35.0 secs Computing kpt #: 120 total cpu time spent up to now is 35.3 secs Computing kpt #: 121 total cpu time spent up to now is 35.6 secs Computing kpt #: 122 total cpu time spent up to now is 35.8 secs Computing kpt #: 123 total cpu time spent up to now is 36.1 secs Computing kpt #: 124 total cpu time spent up to now is 36.4 secs Computing kpt #: 125 total cpu time spent up to now is 36.7 secs Computing kpt #: 126 total cpu time spent up to now is 37.0 secs Computing kpt #: 127 total cpu time spent up to now is 37.3 secs Computing kpt #: 128 total cpu time spent up to now is 37.6 secs Computing kpt #: 129 total cpu time spent up to now is 37.9 secs Computing kpt #: 130 total cpu time spent up to now is 38.2 secs Computing kpt #: 131 total cpu time spent up to now is 38.5 secs Computing kpt #: 132 total cpu time spent up to now is 38.8 secs Computing kpt #: 133 total cpu time spent up to now is 39.1 secs Computing kpt #: 134 total cpu time spent up to now is 39.5 secs Computing kpt #: 135 total cpu time spent up to now is 39.8 secs Computing kpt #: 136 total cpu time spent up to now is 40.2 secs Computing kpt #: 137 total cpu time spent up to now is 40.5 secs Computing kpt #: 138 total cpu time spent up to now is 40.9 secs Computing kpt #: 139 total cpu time spent up to now is 41.3 secs Computing kpt #: 140 total cpu time spent up to now is 41.7 secs Computing kpt #: 141 total cpu time spent up to now is 42.2 secs Computing kpt #: 142 total cpu time spent up to now is 42.5 secs Computing kpt #: 143 total cpu time spent up to now is 42.9 secs Computing kpt #: 144 total cpu time spent up to now is 43.2 secs Computing kpt #: 145 total cpu time spent up to now is 43.6 secs Computing kpt #: 146 total cpu time spent up to now is 44.0 secs Computing kpt #: 147 total cpu time spent up to now is 44.3 secs Computing kpt #: 148 total cpu time spent up to now is 44.7 secs Computing kpt #: 149 total cpu time spent up to now is 45.0 secs Computing kpt #: 150 total cpu time spent up to now is 45.4 secs Computing kpt #: 151 total cpu time spent up to now is 45.7 secs Computing kpt #: 152 total cpu time spent up to now is 46.1 secs Computing kpt #: 153 total cpu time spent up to now is 46.5 secs Computing kpt #: 154 total cpu time spent up to now is 47.0 secs Computing kpt #: 155 total cpu time spent up to now is 47.4 secs Computing kpt #: 156 total cpu time spent up to now is 47.9 secs Computing kpt #: 157 total cpu time spent up to now is 48.4 secs Computing kpt #: 158 total cpu time spent up to now is 49.1 secs Computing kpt #: 159 total cpu time spent up to now is 49.6 secs Computing kpt #: 160 total cpu time spent up to now is 50.0 secs Computing kpt #: 161 total cpu time spent up to now is 50.4 secs Computing kpt #: 162 total cpu time spent up to now is 50.7 secs Computing kpt #: 163 total cpu time spent up to now is 51.1 secs Computing kpt #: 164 total cpu time spent up to now is 51.4 secs Computing kpt #: 165 total cpu time spent up to now is 51.8 secs Computing kpt #: 166 total cpu time spent up to now is 52.2 secs Computing kpt #: 167 total cpu time spent up to now is 52.5 secs Computing kpt #: 168 total cpu time spent up to now is 53.0 secs Computing kpt #: 169 total cpu time spent up to now is 53.4 secs Computing kpt #: 170 total cpu time spent up to now is 54.0 secs Computing kpt #: 171 total cpu time spent up to now is 54.3 secs Computing kpt #: 172 total cpu time spent up to now is 54.5 secs Computing kpt #: 173 total cpu time spent up to now is 54.8 secs Computing kpt #: 174 total cpu time spent up to now is 55.2 secs Computing kpt #: 175 total cpu time spent up to now is 55.6 secs Computing kpt #: 176 total cpu time spent up to now is 56.2 secs Computing kpt #: 177 total cpu time spent up to now is 56.9 secs Computing kpt #: 178 total cpu time spent up to now is 57.6 secs Computing kpt #: 179 total cpu time spent up to now is 58.4 secs Computing kpt #: 180 total cpu time spent up to now is 58.9 secs Computing kpt #: 181 total cpu time spent up to now is 59.6 secs Computing kpt #: 182 total cpu time spent up to now is 60.1 secs Computing kpt #: 183 total cpu time spent up to now is 60.5 secs Computing kpt #: 184 total cpu time spent up to now is 60.9 secs Computing kpt #: 185 total cpu time spent up to now is 61.3 secs Computing kpt #: 186 total cpu time spent up to now is 61.8 secs Computing kpt #: 187 total cpu time spent up to now is 62.2 secs Computing kpt #: 188 total cpu time spent up to now is 62.6 secs Computing kpt #: 189 total cpu time spent up to now is 63.0 secs Computing kpt #: 190 total cpu time spent up to now is 63.3 secs Computing kpt #: 191 total cpu time spent up to now is 63.7 secs Computing kpt #: 192 total cpu time spent up to now is 64.1 secs Computing kpt #: 193 total cpu time spent up to now is 64.5 secs Computing kpt #: 194 total cpu time spent up to now is 64.9 secs Computing kpt #: 195 total cpu time spent up to now is 65.3 secs Computing kpt #: 196 total cpu time spent up to now is 65.7 secs Computing kpt #: 197 total cpu time spent up to now is 66.0 secs Computing kpt #: 198 total cpu time spent up to now is 66.4 secs Computing kpt #: 199 total cpu time spent up to now is 66.8 secs Computing kpt #: 200 total cpu time spent up to now is 67.2 secs Computing kpt #: 201 total cpu time spent up to now is 67.5 secs Computing kpt #: 202 total cpu time spent up to now is 67.9 secs Computing kpt #: 203 total cpu time spent up to now is 68.3 secs Computing kpt #: 204 total cpu time spent up to now is 68.7 secs Computing kpt #: 205 total cpu time spent up to now is 69.1 secs Computing kpt #: 206 total cpu time spent up to now is 69.4 secs Computing kpt #: 207 total cpu time spent up to now is 69.8 secs Computing kpt #: 208 total cpu time spent up to now is 70.2 secs Computing kpt #: 209 total cpu time spent up to now is 70.6 secs Computing kpt #: 210 total cpu time spent up to now is 71.0 secs Computing kpt #: 211 total cpu time spent up to now is 71.3 secs Computing kpt #: 212 total cpu time spent up to now is 71.7 secs Computing kpt #: 213 total cpu time spent up to now is 72.1 secs Computing kpt #: 214 total cpu time spent up to now is 72.4 secs Computing kpt #: 215 total cpu time spent up to now is 72.8 secs Computing kpt #: 216 total cpu time spent up to now is 73.2 secs Computing kpt #: 217 total cpu time spent up to now is 73.6 secs Computing kpt #: 218 total cpu time spent up to now is 74.0 secs Computing kpt #: 219 total cpu time spent up to now is 74.4 secs Computing kpt #: 220 total cpu time spent up to now is 74.7 secs Computing kpt #: 221 total cpu time spent up to now is 75.1 secs Computing kpt #: 222 total cpu time spent up to now is 75.5 secs Computing kpt #: 223 total cpu time spent up to now is 75.9 secs Computing kpt #: 224 total cpu time spent up to now is 76.3 secs Computing kpt #: 225 total cpu time spent up to now is 76.7 secs Computing kpt #: 226 total cpu time spent up to now is 77.1 secs Computing kpt #: 227 total cpu time spent up to now is 77.4 secs Computing kpt #: 228 total cpu time spent up to now is 77.9 secs Computing kpt #: 229 total cpu time spent up to now is 78.3 secs Computing kpt #: 230 total cpu time spent up to now is 78.9 secs Computing kpt #: 231 total cpu time spent up to now is 79.3 secs Computing kpt #: 232 total cpu time spent up to now is 79.8 secs Computing kpt #: 233 total cpu time spent up to now is 80.3 secs Computing kpt #: 234 total cpu time spent up to now is 80.9 secs Computing kpt #: 235 total cpu time spent up to now is 81.5 secs Computing kpt #: 236 total cpu time spent up to now is 82.1 secs Computing kpt #: 237 total cpu time spent up to now is 82.6 secs Computing kpt #: 238 total cpu time spent up to now is 83.2 secs Computing kpt #: 239 total cpu time spent up to now is 83.8 secs Computing kpt #: 240 total cpu time spent up to now is 84.2 secs Computing kpt #: 241 total cpu time spent up to now is 84.5 secs Computing kpt #: 242 total cpu time spent up to now is 84.9 secs Computing kpt #: 243 total cpu time spent up to now is 85.4 secs Computing kpt #: 244 total cpu time spent up to now is 85.9 secs Computing kpt #: 245 total cpu time spent up to now is 86.4 secs Computing kpt #: 246 total cpu time spent up to now is 86.9 secs Computing kpt #: 247 total cpu time spent up to now is 87.4 secs Computing kpt #: 248 total cpu time spent up to now is 87.9 secs Computing kpt #: 249 total cpu time spent up to now is 88.3 secs Computing kpt #: 250 total cpu time spent up to now is 88.7 secs Computing kpt #: 251 total cpu time spent up to now is 89.1 secs Computing kpt #: 252 total cpu time spent up to now is 89.4 secs Computing kpt #: 253 total cpu time spent up to now is 89.8 secs Computing kpt #: 254 total cpu time spent up to now is 90.1 secs Computing kpt #: 255 total cpu time spent up to now is 90.4 secs Computing kpt #: 256 total cpu time spent up to now is 90.7 secs Computing kpt #: 257 total cpu time spent up to now is 91.0 secs Computing kpt #: 258 total cpu time spent up to now is 91.3 secs Computing kpt #: 259 total cpu time spent up to now is 91.6 secs Computing kpt #: 260 total cpu time spent up to now is 91.9 secs Computing kpt #: 261 total cpu time spent up to now is 92.2 secs Computing kpt #: 262 total cpu time spent up to now is 92.5 secs Computing kpt #: 263 total cpu time spent up to now is 92.8 secs Computing kpt #: 264 total cpu time spent up to now is 93.1 secs Computing kpt #: 265 total cpu time spent up to now is 93.4 secs Computing kpt #: 266 total cpu time spent up to now is 93.7 secs Computing kpt #: 267 total cpu time spent up to now is 93.9 secs Computing kpt #: 268 total cpu time spent up to now is 94.2 secs Computing kpt #: 269 total cpu time spent up to now is 94.5 secs Computing kpt #: 270 total cpu time spent up to now is 94.8 secs Computing kpt #: 271 total cpu time spent up to now is 95.1 secs Computing kpt #: 272 total cpu time spent up to now is 95.4 secs Computing kpt #: 273 total cpu time spent up to now is 95.7 secs Computing kpt #: 274 total cpu time spent up to now is 96.1 secs Computing kpt #: 275 total cpu time spent up to now is 96.4 secs Computing kpt #: 276 total cpu time spent up to now is 96.7 secs Computing kpt #: 277 total cpu time spent up to now is 97.1 secs Computing kpt #: 278 total cpu time spent up to now is 97.5 secs Computing kpt #: 279 total cpu time spent up to now is 97.8 secs Computing kpt #: 280 total cpu time spent up to now is 98.2 secs Computing kpt #: 281 total cpu time spent up to now is 98.7 secs Computing kpt #: 282 total cpu time spent up to now is 99.2 secs Computing kpt #: 283 total cpu time spent up to now is 99.8 secs Computing kpt #: 284 total cpu time spent up to now is 100.3 secs Computing kpt #: 285 total cpu time spent up to now is 101.1 secs Computing kpt #: 286 total cpu time spent up to now is 102.0 secs Computing kpt #: 287 total cpu time spent up to now is 102.6 secs Computing kpt #: 288 total cpu time spent up to now is 103.0 secs Computing kpt #: 289 total cpu time spent up to now is 103.3 secs Computing kpt #: 290 total cpu time spent up to now is 103.6 secs Computing kpt #: 291 total cpu time spent up to now is 103.8 secs Computing kpt #: 292 total cpu time spent up to now is 104.1 secs Computing kpt #: 293 total cpu time spent up to now is 104.4 secs Computing kpt #: 294 total cpu time spent up to now is 104.7 secs Computing kpt #: 295 total cpu time spent up to now is 104.9 secs Computing kpt #: 296 total cpu time spent up to now is 105.2 secs Computing kpt #: 297 total cpu time spent up to now is 105.5 secs Computing kpt #: 298 total cpu time spent up to now is 105.8 secs Computing kpt #: 299 total cpu time spent up to now is 106.0 secs Computing kpt #: 300 total cpu time spent up to now is 106.3 secs Computing kpt #: 301 total cpu time spent up to now is 106.6 secs Computing kpt #: 302 total cpu time spent up to now is 107.1 secs Computing kpt #: 303 total cpu time spent up to now is 107.7 secs Computing kpt #: 304 total cpu time spent up to now is 108.3 secs Computing kpt #: 305 total cpu time spent up to now is 108.9 secs Computing kpt #: 306 total cpu time spent up to now is 109.4 secs Computing kpt #: 307 total cpu time spent up to now is 110.0 secs Computing kpt #: 308 total cpu time spent up to now is 110.5 secs Computing kpt #: 309 total cpu time spent up to now is 111.1 secs Computing kpt #: 310 total cpu time spent up to now is 111.7 secs Computing kpt #: 311 total cpu time spent up to now is 112.3 secs Computing kpt #: 312 total cpu time spent up to now is 113.0 secs Computing kpt #: 313 total cpu time spent up to now is 113.5 secs Computing kpt #: 314 total cpu time spent up to now is 114.1 secs Computing kpt #: 315 total cpu time spent up to now is 114.7 secs Computing kpt #: 316 total cpu time spent up to now is 115.2 secs Computing kpt #: 317 total cpu time spent up to now is 115.8 secs Computing kpt #: 318 total cpu time spent up to now is 116.2 secs Computing kpt #: 319 total cpu time spent up to now is 116.6 secs Computing kpt #: 320 total cpu time spent up to now is 117.1 secs Computing kpt #: 321 total cpu time spent up to now is 117.5 secs Computing kpt #: 322 total cpu time spent up to now is 117.9 secs Computing kpt #: 323 total cpu time spent up to now is 118.3 secs Computing kpt #: 324 total cpu time spent up to now is 118.7 secs Computing kpt #: 325 total cpu time spent up to now is 119.1 secs Computing kpt #: 326 total cpu time spent up to now is 119.5 secs Computing kpt #: 327 total cpu time spent up to now is 119.9 secs Computing kpt #: 328 total cpu time spent up to now is 120.3 secs Computing kpt #: 329 total cpu time spent up to now is 120.7 secs Computing kpt #: 330 total cpu time spent up to now is 121.2 secs Computing kpt #: 331 total cpu time spent up to now is 121.6 secs Computing kpt #: 332 total cpu time spent up to now is 122.0 secs Computing kpt #: 333 total cpu time spent up to now is 122.4 secs Computing kpt #: 334 total cpu time spent up to now is 122.8 secs Computing kpt #: 335 total cpu time spent up to now is 123.2 secs Computing kpt #: 336 total cpu time spent up to now is 123.6 secs Computing kpt #: 337 total cpu time spent up to now is 123.9 secs Computing kpt #: 338 total cpu time spent up to now is 124.3 secs Computing kpt #: 339 total cpu time spent up to now is 124.7 secs Computing kpt #: 340 total cpu time spent up to now is 125.1 secs Computing kpt #: 341 total cpu time spent up to now is 125.4 secs Computing kpt #: 342 total cpu time spent up to now is 125.8 secs Computing kpt #: 343 total cpu time spent up to now is 126.1 secs Computing kpt #: 344 total cpu time spent up to now is 126.3 secs Computing kpt #: 345 total cpu time spent up to now is 126.6 secs Computing kpt #: 346 total cpu time spent up to now is 126.8 secs Computing kpt #: 347 total cpu time spent up to now is 127.1 secs Computing kpt #: 348 total cpu time spent up to now is 127.3 secs Computing kpt #: 349 total cpu time spent up to now is 127.6 secs Computing kpt #: 350 total cpu time spent up to now is 127.8 secs Computing kpt #: 351 total cpu time spent up to now is 128.1 secs Computing kpt #: 352 total cpu time spent up to now is 128.4 secs Computing kpt #: 353 total cpu time spent up to now is 128.6 secs Computing kpt #: 354 total cpu time spent up to now is 128.9 secs Computing kpt #: 355 total cpu time spent up to now is 129.2 secs Computing kpt #: 356 total cpu time spent up to now is 129.5 secs Computing kpt #: 357 total cpu time spent up to now is 129.7 secs Computing kpt #: 358 total cpu time spent up to now is 130.0 secs Computing kpt #: 359 total cpu time spent up to now is 130.3 secs Computing kpt #: 360 total cpu time spent up to now is 130.5 secs Computing kpt #: 361 total cpu time spent up to now is 130.8 secs Computing kpt #: 362 total cpu time spent up to now is 131.1 secs Computing kpt #: 363 total cpu time spent up to now is 131.3 secs Computing kpt #: 364 total cpu time spent up to now is 131.6 secs Computing kpt #: 365 total cpu time spent up to now is 131.9 secs Computing kpt #: 366 total cpu time spent up to now is 132.2 secs Computing kpt #: 367 total cpu time spent up to now is 132.4 secs Computing kpt #: 368 total cpu time spent up to now is 132.7 secs Computing kpt #: 369 total cpu time spent up to now is 133.0 secs Computing kpt #: 370 total cpu time spent up to now is 133.3 secs Computing kpt #: 371 total cpu time spent up to now is 133.5 secs Computing kpt #: 372 total cpu time spent up to now is 133.8 secs Computing kpt #: 373 total cpu time spent up to now is 134.1 secs Computing kpt #: 374 total cpu time spent up to now is 134.4 secs Computing kpt #: 375 total cpu time spent up to now is 134.6 secs Computing kpt #: 376 total cpu time spent up to now is 134.9 secs Computing kpt #: 377 total cpu time spent up to now is 135.2 secs Computing kpt #: 378 total cpu time spent up to now is 135.4 secs Computing kpt #: 379 total cpu time spent up to now is 135.7 secs Computing kpt #: 380 total cpu time spent up to now is 136.0 secs Computing kpt #: 381 total cpu time spent up to now is 136.3 secs Computing kpt #: 382 total cpu time spent up to now is 136.5 secs Computing kpt #: 383 total cpu time spent up to now is 136.8 secs Computing kpt #: 384 total cpu time spent up to now is 137.1 secs Computing kpt #: 385 total cpu time spent up to now is 137.4 secs Computing kpt #: 386 total cpu time spent up to now is 137.7 secs Computing kpt #: 387 total cpu time spent up to now is 138.0 secs Computing kpt #: 388 total cpu time spent up to now is 138.3 secs Computing kpt #: 389 total cpu time spent up to now is 138.6 secs Computing kpt #: 390 total cpu time spent up to now is 138.9 secs Computing kpt #: 391 total cpu time spent up to now is 139.2 secs Computing kpt #: 392 total cpu time spent up to now is 139.5 secs Computing kpt #: 393 total cpu time spent up to now is 139.8 secs Computing kpt #: 394 total cpu time spent up to now is 140.1 secs ethr = 2.08E-08, avg # of iterations = 22.4 total cpu time spent up to now is 140.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2657 PWs) bands (ev): -18.4024 -18.4024 -17.6165 -17.6165 -17.6128 -17.6128 -17.6010 -17.6010 -2.1571 -2.1571 -0.8064 -0.8064 -0.2869 -0.2869 0.1337 0.1337 0.1407 0.1407 0.2573 0.2573 0.2804 0.2804 0.4040 0.4040 1.5211 1.5211 1.9910 1.9910 2.0308 2.0308 2.3697 2.3697 4.6883 4.6883 4.7751 4.7751 4.8754 4.8754 4.9056 4.9056 4.9640 4.9640 5.4426 5.4426 5.7178 5.7178 6.5095 6.5095 6.5622 6.5622 7.0364 7.0364 8.9007 8.9007 14.6010 14.6010 14.6654 14.6654 k = 0.0000 0.0147-0.0000 ( 2667 PWs) bands (ev): -18.4021 -18.4021 -17.6186 -17.6186 -17.6139 -17.6139 -17.5982 -17.5982 -2.1561 -2.1561 -0.8066 -0.8066 -0.2864 -0.2864 0.1335 0.1335 0.1406 0.1406 0.2573 0.2573 0.2804 0.2804 0.4047 0.4047 1.5204 1.5204 1.9895 1.9895 2.0294 2.0294 2.3691 2.3691 4.6890 4.6890 4.7754 4.7754 4.8757 4.8757 4.9059 4.9059 4.9645 4.9645 5.4432 5.4432 5.7174 5.7174 6.5092 6.5092 6.5618 6.5618 7.0356 7.0356 8.9036 8.9036 14.5973 14.5973 14.6622 14.6622 k = 0.0000 0.0294-0.0000 ( 2673 PWs) bands (ev): -18.4010 -18.4010 -17.6246 -17.6246 -17.6142 -17.6142 -17.5931 -17.5931 -2.1531 -2.1531 -0.8071 -0.8071 -0.2850 -0.2850 0.1331 0.1331 0.1402 0.1402 0.2572 0.2572 0.2803 0.2803 0.4067 0.4067 1.5183 1.5183 1.9850 1.9850 2.0252 2.0252 2.3676 2.3676 4.6912 4.6912 4.7762 4.7762 4.8767 4.8767 4.9067 4.9067 4.9661 4.9661 5.4451 5.4451 5.7163 5.7163 6.5086 6.5086 6.5610 6.5610 7.0335 7.0335 8.9123 8.9123 14.5830 14.5830 14.6569 14.6569 k = 0.0000 0.0441-0.0000 ( 2667 PWs) bands (ev): -18.3993 -18.3993 -17.6321 -17.6321 -17.6140 -17.6140 -17.5878 -17.5878 -2.1481 -2.1481 -0.8080 -0.8080 -0.2826 -0.2826 0.1325 0.1325 0.1395 0.1395 0.2569 0.2569 0.2805 0.2805 0.4100 0.4100 1.5148 1.5148 1.9768 1.9768 2.0190 2.0190 2.3650 2.3650 4.6948 4.6948 4.7778 4.7778 4.8784 4.8784 4.9082 4.9082 4.9687 4.9687 5.4483 5.4483 5.7144 5.7144 6.5075 6.5075 6.5598 6.5598 7.0300 7.0300 8.9268 8.9268 14.5523 14.5523 14.6564 14.6564 k = 0.0000 0.0588-0.0000 ( 2667 PWs) bands (ev): -18.3969 -18.3969 -17.6404 -17.6404 -17.6136 -17.6136 -17.5826 -17.5826 -2.1411 -2.1411 -0.8093 -0.8093 -0.2792 -0.2792 0.1315 0.1315 0.1388 0.1388 0.2561 0.2561 0.2811 0.2811 0.4147 0.4147 1.5100 1.5100 1.9643 1.9643 2.0115 2.0115 2.3615 2.3615 4.6997 4.6997 4.7798 4.7798 4.8807 4.8807 4.9101 4.9101 4.9724 4.9724 5.4527 5.4527 5.7117 5.7117 6.5060 6.5060 6.5580 6.5580 7.0251 7.0251 8.9470 8.9470 14.5059 14.5059 14.6622 14.6622 k = 0.0000 0.0735-0.0000 ( 2671 PWs) bands (ev): -18.3939 -18.3939 -17.6492 -17.6492 -17.6131 -17.6131 -17.5777 -17.5777 -2.1322 -2.1322 -0.8110 -0.8110 -0.2748 -0.2748 0.1302 0.1302 0.1379 0.1379 0.2546 0.2546 0.2824 0.2824 0.4206 0.4206 1.5038 1.5038 1.9470 1.9470 2.0035 2.0035 2.3568 2.3568 4.7059 4.7059 4.7824 4.7824 4.8836 4.8836 4.9126 4.9126 4.9770 4.9770 5.4585 5.4585 5.7083 5.7083 6.5040 6.5040 6.5557 6.5557 7.0187 7.0187 8.9729 8.9729 14.4473 14.4473 14.6728 14.6728 k = 0.0000 0.0882-0.0000 ( 2671 PWs) bands (ev): -18.3901 -18.3901 -17.6587 -17.6587 -17.6125 -17.6125 -17.5733 -17.5733 -2.1214 -2.1214 -0.8132 -0.8132 -0.2695 -0.2695 0.1286 0.1286 0.1369 0.1369 0.2521 0.2521 0.2846 0.2846 0.4278 0.4278 1.4963 1.4963 1.9249 1.9249 1.9952 1.9952 2.3512 2.3512 4.7133 4.7133 4.7855 4.7855 4.8870 4.8870 4.9156 4.9156 4.9826 4.9826 5.4656 5.4656 5.7042 5.7042 6.5017 6.5017 6.5530 6.5530 7.0109 7.0109 9.0044 9.0044 14.3794 14.3794 14.6872 14.6872 k = 0.0000 0.1029-0.0000 ( 2669 PWs) bands (ev): -18.3857 -18.3857 -17.6686 -17.6686 -17.6117 -17.6117 -17.5692 -17.5692 -2.1086 -2.1086 -0.8159 -0.8159 -0.2631 -0.2631 0.1268 0.1268 0.1360 0.1360 0.2487 0.2487 0.2877 0.2877 0.4361 0.4361 1.4875 1.4875 1.8983 1.8983 1.9867 1.9867 2.3445 2.3445 4.7217 4.7217 4.7891 4.7891 4.8910 4.8910 4.9191 4.9191 4.9891 4.9891 5.4742 5.4742 5.6994 5.6994 6.4990 6.4990 6.5499 6.5499 7.0017 7.0017 9.0412 9.0412 14.3042 14.3042 14.7049 14.7049 k = 0.0000 0.1176-0.0000 ( 2670 PWs) bands (ev): -18.3807 -18.3807 -17.6790 -17.6790 -17.6108 -17.6108 -17.5654 -17.5654 -2.0940 -2.0940 -0.8191 -0.8191 -0.2558 -0.2558 0.1247 0.1247 0.1350 0.1350 0.2446 0.2446 0.2916 0.2916 0.4455 0.4455 1.4774 1.4774 1.8676 1.8676 1.9778 1.9778 2.3369 2.3369 4.7309 4.7309 4.7931 4.7931 4.8954 4.8954 4.9230 4.9230 4.9965 4.9965 5.4842 5.4842 5.6939 5.6939 6.4959 6.4959 6.5463 6.5463 6.9909 6.9909 9.0834 9.0834 14.2231 14.2231 14.7255 14.7255 k = 0.0000 0.1324-0.0000 ( 2670 PWs) bands (ev): -18.3750 -18.3750 -17.6898 -17.6898 -17.6098 -17.6098 -17.5620 -17.5620 -2.0776 -2.0776 -0.8230 -0.8230 -0.2474 -0.2474 0.1226 0.1226 0.1339 0.1339 0.2399 0.2399 0.2961 0.2961 0.4560 0.4560 1.4661 1.4661 1.8333 1.8333 1.9685 1.9685 2.3282 2.3282 4.7410 4.7410 4.7975 4.7975 4.9003 4.9003 4.9274 4.9274 5.0048 5.0048 5.4958 5.4958 5.6877 5.6877 6.4925 6.4925 6.5423 6.5423 6.9788 6.9788 9.1307 9.1307 14.1372 14.1372 14.7490 14.7490 k = 0.0000 0.1471-0.0000 ( 2676 PWs) bands (ev): -18.3686 -18.3686 -17.7012 -17.7012 -17.6087 -17.6087 -17.5590 -17.5590 -2.0594 -2.0594 -0.8276 -0.8276 -0.2381 -0.2381 0.1203 0.1203 0.1328 0.1328 0.2347 0.2347 0.3011 0.3011 0.4674 0.4674 1.4536 1.4536 1.7955 1.7955 1.9590 1.9590 2.3186 2.3186 4.7515 4.7515 4.8023 4.8023 4.9055 4.9055 4.9322 4.9322 5.0139 5.0139 5.5088 5.5088 5.6809 5.6809 6.4888 6.4888 6.5379 6.5379 6.9651 6.9651 9.1831 9.1831 14.0472 14.0472 14.7752 14.7752 k = 0.0000 0.1618-0.0000 ( 2676 PWs) bands (ev): -18.3616 -18.3616 -17.7129 -17.7129 -17.6075 -17.6075 -17.5564 -17.5564 -2.0394 -2.0394 -0.8329 -0.8329 -0.2276 -0.2276 0.1180 0.1180 0.1317 0.1317 0.2292 0.2292 0.3065 0.3065 0.4798 0.4798 1.4400 1.4400 1.7547 1.7547 1.9492 1.9492 2.3081 2.3081 4.7626 4.7626 4.8074 4.8074 4.9110 4.9110 4.9373 4.9373 5.0237 5.0237 5.5234 5.5234 5.6735 5.6735 6.4848 6.4848 6.5332 6.5332 6.9500 6.9500 9.2402 9.2402 13.9539 13.9539 14.8040 14.8040 k = 0.0000 0.1765-0.0000 ( 2684 PWs) bands (ev): -18.3541 -18.3541 -17.7251 -17.7251 -17.6062 -17.6062 -17.5540 -17.5540 -2.0178 -2.0178 -0.8391 -0.8391 -0.2162 -0.2162 0.1157 0.1157 0.1305 0.1305 0.2235 0.2235 0.3123 0.3123 0.4932 0.4932 1.4252 1.4252 1.7111 1.7111 1.9394 1.9394 2.2966 2.2966 4.7740 4.7740 4.8127 4.8127 4.9167 4.9167 4.9428 4.9428 5.0342 5.0342 5.5395 5.5395 5.6657 5.6657 6.4805 6.4805 6.5281 6.5281 6.9333 6.9333 9.3019 9.3019 13.8576 13.8576 14.8353 14.8353 k = 0.0000 0.1912-0.0000 ( 2694 PWs) bands (ev): -18.3459 -18.3459 -17.7378 -17.7378 -17.6048 -17.6048 -17.5520 -17.5520 -1.9946 -1.9946 -0.8463 -0.8463 -0.2037 -0.2037 0.1135 0.1135 0.1293 0.1293 0.2176 0.2176 0.3184 0.3184 0.5073 0.5073 1.4094 1.4094 1.6652 1.6652 1.9296 1.9296 2.2843 2.2843 4.7855 4.7855 4.8182 4.8182 4.9226 4.9226 4.9485 4.9485 5.0453 5.0453 5.5569 5.5569 5.6576 5.6576 6.4760 6.4760 6.5228 6.5228 6.9152 6.9152 9.3680 9.3680 13.7588 13.7588 14.8691 14.8691 k = 0.0000 0.2059-0.0000 ( 2690 PWs) bands (ev): -18.3370 -18.3370 -17.7508 -17.7508 -17.6033 -17.6033 -17.5503 -17.5503 -1.9698 -1.9698 -0.8544 -0.8544 -0.1901 -0.1901 0.1113 0.1113 0.1280 0.1280 0.2119 0.2119 0.3247 0.3247 0.5223 0.5223 1.3926 1.3926 1.6172 1.6172 1.9200 1.9200 2.2711 2.2711 4.7971 4.7971 4.8240 4.8240 4.9287 4.9287 4.9545 4.9545 5.0571 5.0571 5.5751 5.5751 5.6499 5.6499 6.4713 6.4713 6.5173 6.5173 6.8957 6.8957 9.4384 9.4384 13.6577 13.6577 14.9052 14.9052 k = 0.0000 0.2206-0.0000 ( 2692 PWs) bands (ev): -18.3277 -18.3277 -17.7643 -17.7643 -17.6017 -17.6017 -17.5489 -17.5489 -1.9436 -1.9436 -0.8636 -0.8636 -0.1755 -0.1755 0.1093 0.1093 0.1266 0.1266 0.2063 0.2063 0.3312 0.3312 0.5381 0.5381 1.3748 1.3748 1.5673 1.5673 1.9107 1.9107 2.2571 2.2571 4.8085 4.8085 4.8299 4.8299 4.9348 4.9348 4.9606 4.9606 5.0693 5.0693 5.5925 5.5925 5.6443 5.6443 6.4665 6.4665 6.5115 6.5115 6.8748 6.8748 9.5127 9.5127 13.5547 13.5547 14.9436 14.9436 k = 0.0000 0.2353-0.0000 ( 2694 PWs) bands (ev): -18.3177 -18.3177 -17.7781 -17.7781 -17.6000 -17.6000 -17.5478 -17.5478 -1.9159 -1.9159 -0.8741 -0.8741 -0.1598 -0.1598 0.1074 0.1074 0.1252 0.1252 0.2010 0.2010 0.3377 0.3377 0.5546 0.5546 1.3560 1.3560 1.5159 1.5159 1.9019 1.9019 2.2424 2.2424 4.8199 4.8199 4.8360 4.8360 4.9410 4.9410 4.9668 4.9668 5.0820 5.0820 5.6031 5.6031 5.6465 5.6465 6.4616 6.4616 6.5056 6.5056 6.8525 6.8525 9.5908 9.5908 13.4499 13.4499 14.9840 14.9840 k = 0.0000 0.2500-0.0000 ( 2690 PWs) bands (ev): -18.3072 -18.3072 -17.7922 -17.7922 -17.5982 -17.5982 -17.5470 -17.5470 -1.8870 -1.8870 -0.8857 -0.8857 -0.1432 -0.1432 0.1057 0.1057 0.1238 0.1238 0.1959 0.1959 0.3444 0.3444 0.5718 0.5718 1.3363 1.3363 1.4635 1.4635 1.8937 1.8937 2.2270 2.2270 4.8308 4.8308 4.8420 4.8420 4.9471 4.9471 4.9731 4.9731 5.0951 5.0951 5.6015 5.6015 5.6622 5.6622 6.4567 6.4567 6.4996 6.4996 6.8288 6.8288 9.6725 9.6725 13.3436 13.3436 15.0265 15.0265 k = 0.0000 0.2647-0.0000 ( 2694 PWs) bands (ev): -18.2962 -18.2962 -17.8068 -17.8068 -17.5964 -17.5964 -17.5464 -17.5464 -1.8569 -1.8569 -0.8987 -0.8987 -0.1256 -0.1256 0.1040 0.1040 0.1224 0.1224 0.1913 0.1913 0.3511 0.3511 0.5896 0.5896 1.3154 1.3154 1.4103 1.4103 1.8863 1.8863 2.2110 2.2110 4.8414 4.8414 4.8481 4.8481 4.9532 4.9532 4.9793 4.9793 5.1086 5.1086 5.5931 5.5931 5.6857 5.6857 6.4517 6.4517 6.4934 6.4934 6.8038 6.8038 9.7576 9.7576 13.2359 13.2359 15.0707 15.0707 k = 0.0000 0.2794-0.0000 ( 2694 PWs) bands (ev): -18.2847 -18.2847 -17.8216 -17.8216 -17.5945 -17.5945 -17.5461 -17.5461 -1.8256 -1.8256 -0.9130 -0.9130 -0.1071 -0.1071 0.1026 0.1026 0.1209 0.1209 0.1871 0.1871 0.3580 0.3580 0.6081 0.6081 1.2929 1.2929 1.3573 1.3573 1.8799 1.8799 2.1945 2.1945 4.8515 4.8515 4.8541 4.8541 4.9593 4.9593 4.9854 4.9854 5.1225 5.1225 5.5823 5.5823 5.7129 5.7129 6.4469 6.4469 6.4873 6.4873 6.7775 6.7775 9.8458 9.8458 13.1268 13.1268 15.1167 15.1167 k = 0.0000 0.2941-0.0000 ( 2698 PWs) bands (ev): -18.2727 -18.2727 -17.8367 -17.8367 -17.5925 -17.5925 -17.5460 -17.5460 -1.7933 -1.7933 -0.9288 -0.9288 -0.0877 -0.0877 0.1013 0.1013 0.1194 0.1194 0.1834 0.1834 0.3650 0.3650 0.6273 0.6273 1.2667 1.2667 1.3068 1.3068 1.8744 1.8744 2.1774 2.1774 4.8598 4.8598 4.8611 4.8611 4.9652 4.9652 4.9914 4.9914 5.1367 5.1367 5.5702 5.5702 5.7422 5.7422 6.4421 6.4421 6.4811 6.4811 6.7499 6.7499 9.9369 9.9369 13.0167 13.0167 15.1641 15.1641 k = 0.0000 0.3088-0.0000 ( 2690 PWs) bands (ev): -18.2602 -18.2602 -17.8521 -17.8521 -17.5905 -17.5905 -17.5462 -17.5462 -1.7601 -1.7601 -0.9460 -0.9460 -0.0675 -0.0675 0.1003 0.1003 0.1179 0.1179 0.1803 0.1803 0.3722 0.3722 0.6469 0.6469 1.2294 1.2294 1.2666 1.2666 1.8701 1.8701 2.1600 2.1600 4.8658 4.8658 4.8700 4.8700 4.9711 4.9711 4.9971 4.9971 5.1512 5.1512 5.5575 5.5575 5.7734 5.7734 6.4375 6.4375 6.4749 6.4749 6.7212 6.7212 10.0308 10.0308 12.9056 12.9056 15.2129 15.2129 k = 0.0000 0.3235-0.0000 ( 2684 PWs) bands (ev): -18.2472 -18.2472 -17.8678 -17.8678 -17.5884 -17.5884 -17.5465 -17.5465 -1.7261 -1.7261 -0.9648 -0.9648 -0.0467 -0.0467 0.0993 0.0993 0.1164 0.1164 0.1777 0.1777 0.3797 0.3797 0.6672 0.6672 1.1799 1.1799 1.2380 1.2380 1.8670 1.8670 2.1422 2.1422 4.8715 4.8715 4.8783 4.8783 4.9768 4.9768 5.0025 5.0025 5.1659 5.1659 5.5441 5.5441 5.8061 5.8061 6.4331 6.4331 6.4689 6.4689 6.6914 6.6914 10.1272 10.1272 12.7936 12.7936 15.2627 15.2627 k = 0.0000 0.3382-0.0000 ( 2684 PWs) bands (ev): -18.2339 -18.2339 -17.8837 -17.8837 -17.5863 -17.5863 -17.5471 -17.5471 -1.6913 -1.6913 -0.9850 -0.9850 -0.0255 -0.0255 0.0986 0.0986 0.1148 0.1148 0.1756 0.1756 0.3876 0.3876 0.6880 0.6880 1.1266 1.1266 1.2130 1.2130 1.8652 1.8652 2.1242 2.1242 4.8770 4.8770 4.8858 4.8858 4.9824 4.9824 5.0076 5.0076 5.1810 5.1810 5.5301 5.5301 5.8400 5.8400 6.4289 6.4289 6.4630 6.4630 6.6605 6.6605 10.2259 10.2259 12.6808 12.6808 15.3135 15.3135 k = 0.0000 0.3529-0.0000 ( 2692 PWs) bands (ev): -18.2201 -18.2201 -17.8998 -17.8998 -17.5842 -17.5842 -17.5478 -17.5478 -1.6560 -1.6560 -1.0067 -1.0067 -0.0041 -0.0041 0.0980 0.0980 0.1133 0.1133 0.1739 0.1739 0.3963 0.3963 0.7092 0.7092 1.0725 1.0725 1.1887 1.1887 1.8648 1.8648 2.1060 2.1060 4.8822 4.8822 4.8925 4.8925 4.9879 4.9879 5.0121 5.0121 5.1963 5.1963 5.5158 5.5158 5.8751 5.8751 6.4248 6.4248 6.4572 6.4572 6.6286 6.6286 10.3269 10.3269 12.5673 12.5673 15.3649 15.3649 k = 0.0000 0.3676-0.0000 ( 2688 PWs) bands (ev): -18.2059 -18.2059 -17.9160 -17.9160 -17.5820 -17.5820 -17.5487 -17.5487 -1.6202 -1.6202 -1.0299 -1.0299 0.0173 0.0173 0.0977 0.0977 0.1118 0.1118 0.1726 0.1726 0.4060 0.4060 0.7309 0.7309 1.0188 1.0188 1.1645 1.1645 1.8659 1.8659 2.0877 2.0877 4.8873 4.8873 4.8984 4.8984 4.9931 4.9931 5.0163 5.0163 5.2119 5.2119 5.5010 5.5010 5.9111 5.9111 6.4211 6.4211 6.4516 6.4516 6.5959 6.5959 10.4298 10.4298 12.4533 12.4533 15.4167 15.4167 k = 0.0000 0.3824-0.0000 ( 2692 PWs) bands (ev): -18.1914 -18.1914 -17.9324 -17.9324 -17.5798 -17.5798 -17.5498 -17.5498 -1.5840 -1.5840 -1.0546 -1.0546 0.0383 0.0383 0.0975 0.0975 0.1103 0.1103 0.1716 0.1716 0.4170 0.4170 0.7531 0.7531 0.9657 0.9657 1.1401 1.1401 1.8684 1.8684 2.0695 2.0695 4.8920 4.8920 4.9035 4.9035 4.9982 4.9982 5.0198 5.0198 5.2276 5.2276 5.4860 5.4860 5.9480 5.9480 6.4176 6.4176 6.4463 6.4463 6.5624 6.5624 10.5345 10.5345 12.3388 12.3388 15.4687 15.4687 k = 0.0000 0.3971-0.0000 ( 2692 PWs) bands (ev): -18.1766 -18.1766 -17.9489 -17.9489 -17.5776 -17.5776 -17.5510 -17.5510 -1.5476 -1.5476 -1.0806 -1.0806 0.0586 0.0586 0.0975 0.0975 0.1089 0.1089 0.1707 0.1707 0.4297 0.4297 0.7755 0.7755 0.9138 0.9138 1.1157 1.1157 1.8723 1.8723 2.0515 2.0515 4.8964 4.8964 4.9077 4.9077 5.0030 5.0030 5.0229 5.0229 5.2435 5.2435 5.4706 5.4706 5.9856 5.9856 6.4141 6.4141 6.4413 6.4413 6.5286 6.5286 10.6409 10.6409 12.2240 12.2240 15.5204 15.5204 k = 0.0000 0.4118-0.0000 ( 2690 PWs) bands (ev): -18.1614 -18.1614 -17.9656 -17.9656 -17.5755 -17.5755 -17.5523 -17.5523 -1.5111 -1.5111 -1.1080 -1.1080 0.0774 0.0774 0.0979 0.0979 0.1075 0.1075 0.1699 0.1699 0.4446 0.4446 0.7981 0.7981 0.8634 0.8634 1.0911 1.0911 1.8777 1.8777 2.0337 2.0337 4.9005 4.9005 4.9112 4.9112 5.0076 5.0076 5.0254 5.0254 5.2595 5.2595 5.4550 5.4550 6.0238 6.0238 6.4102 6.4102 6.4366 6.4366 6.4949 6.4949 10.7488 10.7488 12.1089 12.1089 15.5718 15.5718 k = 0.0000 0.4265-0.0000 ( 2690 PWs) bands (ev): -18.1460 -18.1460 -17.9822 -17.9822 -17.5733 -17.5733 -17.5538 -17.5538 -1.4746 -1.4746 -1.1367 -1.1367 0.0930 0.0930 0.1002 0.1002 0.1062 0.1062 0.1689 0.1689 0.4622 0.4622 0.8094 0.8094 0.8261 0.8261 1.0664 1.0664 1.8845 1.8845 2.0162 2.0162 4.9042 4.9042 4.9138 4.9138 5.0119 5.0119 5.0271 5.0271 5.2757 5.2757 5.4392 5.4392 6.0623 6.0623 6.4041 6.4041 6.4323 6.4323 6.4632 6.4632 10.8580 10.8580 11.9937 11.9937 15.6224 15.6224 k = 0.0000 0.4412-0.0000 ( 2694 PWs) bands (ev): -18.1303 -18.1303 -17.9989 -17.9989 -17.5711 -17.5711 -17.5554 -17.5554 -1.4383 -1.4383 -1.1666 -1.1666 0.0971 0.0971 0.1048 0.1048 0.1123 0.1123 0.1676 0.1676 0.4828 0.4828 0.7653 0.7653 0.8464 0.8464 1.0417 1.0417 1.8927 1.8927 1.9992 1.9992 4.9076 4.9076 4.9157 4.9157 5.0158 5.0158 5.0283 5.0283 5.2920 5.2920 5.4231 5.4231 6.1011 6.1011 6.3909 6.3909 6.4280 6.4280 6.4390 6.4390 10.9684 10.9684 11.8784 11.8784 15.6719 15.6719 k = 0.0000 0.4559-0.0000 ( 2690 PWs) bands (ev): -18.1143 -18.1143 -18.0156 -18.0156 -17.5690 -17.5690 -17.5571 -17.5571 -1.4022 -1.4022 -1.1977 -1.1977 0.0980 0.0980 0.1036 0.1036 0.1256 0.1256 0.1656 0.1656 0.5068 0.5068 0.7202 0.7202 0.8700 0.8700 1.0169 1.0169 1.9022 1.9022 1.9828 1.9828 4.9105 4.9105 4.9169 4.9169 5.0193 5.0193 5.0289 5.0289 5.3084 5.3084 5.4069 5.4069 6.1402 6.1402 6.3648 6.3648 6.4235 6.4235 6.4282 6.4282 11.0799 11.0799 11.7632 11.7632 15.7201 15.7201 k = 0.0000 0.4706-0.0000 ( 2692 PWs) bands (ev): -18.0982 -18.0982 -18.0323 -18.0323 -17.5668 -17.5668 -17.5589 -17.5589 -1.3665 -1.3665 -1.2298 -1.2298 0.0987 0.0987 0.1025 0.1025 0.1369 0.1369 0.1628 0.1628 0.5342 0.5342 0.6772 0.6772 0.8940 0.8940 0.9921 0.9921 1.9130 1.9130 1.9671 1.9671 4.9130 4.9130 4.9173 4.9173 5.0223 5.0223 5.0288 5.0288 5.3248 5.3248 5.3906 5.3906 6.1792 6.1792 6.3310 6.3310 6.4207 6.4207 6.4242 6.4242 11.1922 11.1922 11.6482 11.6482 15.7666 15.7666 k = 0.0000 0.4853-0.0000 ( 2700 PWs) bands (ev): -18.0819 -18.0819 -18.0490 -18.0490 -17.5648 -17.5648 -17.5608 -17.5608 -1.3313 -1.3313 -1.2628 -1.2628 0.0995 0.0995 0.1014 0.1014 0.1460 0.1460 0.1587 0.1587 0.5651 0.5651 0.6369 0.6369 0.9183 0.9183 0.9674 0.9674 1.9250 1.9250 1.9521 1.9521 4.9149 4.9149 4.9171 4.9171 5.0247 5.0247 5.0280 5.0280 5.3413 5.3413 5.3742 5.3742 6.2180 6.2180 6.2944 6.2944 6.4198 6.4198 6.4218 6.4218 11.3054 11.3054 11.5335 11.5335 15.8112 15.8112 k = 0.0000 0.5000-0.0000 ( 2700 PWs) bands (ev): -18.0655 -18.0655 -18.0655 -18.0655 -17.5628 -17.5628 -17.5628 -17.5628 -1.2967 -1.2967 -1.2967 -1.2967 0.1004 0.1004 0.1004 0.1004 0.1533 0.1533 0.1533 0.1533 0.5994 0.5994 0.5994 0.5994 0.9428 0.9428 0.9428 0.9428 1.9380 1.9380 1.9380 1.9380 4.9163 4.9163 4.9163 4.9163 5.0267 5.0267 5.0267 5.0267 5.3577 5.3577 5.3577 5.3577 6.2565 6.2565 6.2565 6.2565 6.4203 6.4203 6.4203 6.4203 11.4192 11.4192 11.4192 11.4192 15.8535 15.8535 k = 0.0000 0.5000-0.0000 ( 2700 PWs) bands (ev): -18.0655 -18.0655 -18.0655 -18.0655 -17.5628 -17.5628 -17.5628 -17.5628 -1.2967 -1.2967 -1.2967 -1.2967 0.1004 0.1004 0.1004 0.1004 0.1533 0.1533 0.1533 0.1533 0.5994 0.5994 0.5994 0.5994 0.9428 0.9428 0.9428 0.9428 1.9380 1.9380 1.9380 1.9380 4.9163 4.9163 4.9163 4.9163 5.0267 5.0267 5.0267 5.0267 5.3577 5.3577 5.3577 5.3577 6.2565 6.2565 6.2565 6.2565 6.4203 6.4203 6.4203 6.4203 11.4192 11.4192 11.4192 11.4192 15.8535 15.8535 k = 0.0147 0.5000-0.0000 ( 2696 PWs) bands (ev): -18.0653 -18.0653 -18.0653 -18.0653 -17.5629 -17.5629 -17.5629 -17.5629 -1.2972 -1.2972 -1.2972 -1.2972 0.1004 0.1004 0.1004 0.1004 0.1534 0.1534 0.1534 0.1534 0.6008 0.6008 0.6008 0.6008 0.9429 0.9429 0.9429 0.9429 1.9373 1.9373 1.9373 1.9373 4.9159 4.9159 4.9159 4.9159 5.0264 5.0264 5.0264 5.0264 5.3579 5.3579 5.3579 5.3579 6.2558 6.2558 6.2558 6.2558 6.4206 6.4206 6.4206 6.4206 11.4212 11.4212 11.4212 11.4212 15.8485 15.8485 k = 0.0294 0.5000-0.0000 ( 2696 PWs) bands (ev): -18.0649 -18.0649 -18.0649 -18.0649 -17.5634 -17.5634 -17.5634 -17.5634 -1.2989 -1.2989 -1.2989 -1.2989 0.1004 0.1004 0.1004 0.1004 0.1539 0.1539 0.1539 0.1539 0.6050 0.6050 0.6050 0.6050 0.9431 0.9431 0.9431 0.9431 1.9351 1.9351 1.9351 1.9351 4.9149 4.9149 4.9149 4.9149 5.0257 5.0257 5.0257 5.0257 5.3582 5.3582 5.3582 5.3582 6.2536 6.2536 6.2536 6.2536 6.4215 6.4215 6.4215 6.4215 11.4271 11.4271 11.4271 11.4271 15.8336 15.8336 k = 0.0441 0.5000-0.0000 ( 2700 PWs) bands (ev): -18.0641 -18.0641 -18.0641 -18.0641 -17.5643 -17.5643 -17.5643 -17.5643 -1.3017 -1.3017 -1.3017 -1.3017 0.1003 0.1003 0.1003 0.1003 0.1547 0.1547 0.1547 0.1547 0.6118 0.6118 0.6118 0.6118 0.9434 0.9434 0.9434 0.9434 1.9315 1.9315 1.9315 1.9315 4.9132 4.9132 4.9132 4.9132 5.0244 5.0244 5.0244 5.0244 5.3588 5.3588 5.3588 5.3588 6.2501 6.2501 6.2501 6.2501 6.4229 6.4229 6.4229 6.4229 11.4371 11.4371 11.4371 11.4371 15.8093 15.8093 k = 0.0588 0.5000-0.0000 ( 2694 PWs) bands (ev): -18.0630 -18.0630 -18.0630 -18.0630 -17.5655 -17.5655 -17.5655 -17.5655 -1.3056 -1.3056 -1.3056 -1.3056 0.1002 0.1002 0.1002 0.1002 0.1560 0.1560 0.1560 0.1560 0.6213 0.6213 0.6213 0.6213 0.9439 0.9439 0.9439 0.9439 1.9264 1.9264 1.9264 1.9264 4.9109 4.9109 4.9109 4.9109 5.0227 5.0227 5.0227 5.0227 5.3596 5.3596 5.3596 5.3596 6.2452 6.2452 6.2452 6.2452 6.4249 6.4249 6.4249 6.4249 11.4509 11.4509 11.4509 11.4509 15.7762 15.7762 k = 0.0735 0.5000-0.0000 ( 2690 PWs) bands (ev): -18.0616 -18.0616 -18.0616 -18.0616 -17.5670 -17.5670 -17.5670 -17.5670 -1.3105 -1.3105 -1.3105 -1.3105 0.1002 0.1002 0.1002 0.1002 0.1576 0.1576 0.1576 0.1576 0.6334 0.6334 0.6334 0.6334 0.9446 0.9446 0.9446 0.9446 1.9199 1.9199 1.9199 1.9199 4.9079 4.9079 4.9079 4.9079 5.0205 5.0205 5.0205 5.0205 5.3606 5.3606 5.3606 5.3606 6.2390 6.2390 6.2390 6.2390 6.4274 6.4274 6.4274 6.4274 11.4686 11.4686 11.4686 11.4686 15.7351 15.7351 k = 0.0882 0.5000-0.0000 ( 2690 PWs) bands (ev): -18.0598 -18.0598 -18.0598 -18.0598 -17.5688 -17.5688 -17.5688 -17.5688 -1.3163 -1.3163 -1.3163 -1.3163 0.1000 0.1000 0.1000 0.1000 0.1596 0.1596 0.1596 0.1596 0.6477 0.6477 0.6477 0.6477 0.9454 0.9454 0.9454 0.9454 1.9121 1.9121 1.9121 1.9121 4.9041 4.9041 4.9041 4.9041 5.0178 5.0178 5.0178 5.0178 5.3618 5.3618 5.3618 5.3618 6.2315 6.2315 6.2315 6.2315 6.4303 6.4303 6.4303 6.4303 11.4900 11.4900 11.4900 11.4900 15.6868 15.6868 k = 0.1029 0.5000-0.0000 ( 2690 PWs) bands (ev): -18.0578 -18.0578 -18.0578 -18.0578 -17.5710 -17.5710 -17.5710 -17.5710 -1.3230 -1.3230 -1.3230 -1.3230 0.0999 0.0999 0.0999 0.0999 0.1621 0.1621 0.1621 0.1621 0.6643 0.6643 0.6643 0.6643 0.9463 0.9463 0.9463 0.9463 1.9029 1.9029 1.9029 1.9029 4.8998 4.8998 4.8998 4.8998 5.0147 5.0147 5.0147 5.0147 5.3632 5.3632 5.3632 5.3632 6.2230 6.2230 6.2230 6.2230 6.4337 6.4337 6.4337 6.4337 11.5152 11.5152 11.5152 11.5152 15.6322 15.6322 k = 0.1176 0.5000-0.0000 ( 2690 PWs) bands (ev): -18.0556 -18.0556 -18.0556 -18.0556 -17.5735 -17.5735 -17.5735 -17.5735 -1.3305 -1.3305 -1.3305 -1.3305 0.0998 0.0998 0.0998 0.0998 0.1651 0.1651 0.1651 0.1651 0.6829 0.6829 0.6829 0.6829 0.9473 0.9473 0.9473 0.9473 1.8925 1.8925 1.8925 1.8925 4.8948 4.8948 4.8948 4.8948 5.0111 5.0111 5.0111 5.0111 5.3647 5.3647 5.3647 5.3647 6.2134 6.2134 6.2134 6.2134 6.4375 6.4375 6.4375 6.4375 11.5439 11.5439 11.5439 11.5439 15.5722 15.5722 k = 0.1324 0.5000-0.0000 ( 2688 PWs) bands (ev): -18.0530 -18.0530 -18.0530 -18.0530 -17.5762 -17.5762 -17.5762 -17.5762 -1.3387 -1.3387 -1.3387 -1.3387 0.0996 0.0996 0.0996 0.0996 0.1687 0.1687 0.1687 0.1687 0.7033 0.7033 0.7033 0.7033 0.9485 0.9485 0.9485 0.9485 1.8808 1.8808 1.8808 1.8808 4.8892 4.8892 4.8892 4.8892 5.0073 5.0073 5.0073 5.0073 5.3664 5.3664 5.3664 5.3664 6.2030 6.2030 6.2030 6.2030 6.4417 6.4417 6.4417 6.4417 11.5762 11.5762 11.5762 11.5762 15.5075 15.5075 k = 0.1471 0.5000-0.0000 ( 2692 PWs) bands (ev): -18.0502 -18.0502 -18.0502 -18.0502 -17.5792 -17.5792 -17.5792 -17.5792 -1.3475 -1.3475 -1.3475 -1.3475 0.0994 0.0994 0.0994 0.0994 0.1727 0.1727 0.1727 0.1727 0.7254 0.7254 0.7254 0.7254 0.9498 0.9498 0.9498 0.9498 1.8680 1.8680 1.8680 1.8680 4.8830 4.8830 4.8830 4.8830 5.0030 5.0030 5.0030 5.0030 5.3683 5.3683 5.3683 5.3683 6.1918 6.1918 6.1918 6.1918 6.4462 6.4462 6.4462 6.4462 11.6118 11.6118 11.6118 11.6118 15.4388 15.4388 k = 0.1618 0.5000-0.0000 ( 2692 PWs) bands (ev): -18.0471 -18.0471 -18.0471 -18.0471 -17.5825 -17.5825 -17.5825 -17.5825 -1.3568 -1.3568 -1.3568 -1.3568 0.0992 0.0992 0.0992 0.0992 0.1774 0.1774 0.1774 0.1774 0.7490 0.7490 0.7490 0.7490 0.9512 0.9512 0.9512 0.9512 1.8540 1.8540 1.8540 1.8540 4.8762 4.8762 4.8762 4.8762 4.9985 4.9985 4.9985 4.9985 5.3703 5.3703 5.3703 5.3703 6.1799 6.1799 6.1799 6.1799 6.4510 6.4510 6.4510 6.4510 11.6507 11.6507 11.6507 11.6507 15.3668 15.3668 k = 0.1765 0.5000-0.0000 ( 2692 PWs) bands (ev): -18.0438 -18.0438 -18.0438 -18.0438 -17.5860 -17.5860 -17.5860 -17.5860 -1.3666 -1.3666 -1.3666 -1.3666 0.0990 0.0990 0.0990 0.0990 0.1825 0.1825 0.1825 0.1825 0.7739 0.7739 0.7739 0.7739 0.9527 0.9527 0.9527 0.9527 1.8390 1.8390 1.8390 1.8390 4.8689 4.8689 4.8689 4.8689 4.9937 4.9937 4.9937 4.9937 5.3724 5.3724 5.3724 5.3724 6.1675 6.1675 6.1675 6.1675 6.4560 6.4560 6.4560 6.4560 11.6927 11.6927 11.6927 11.6927 15.2920 15.2920 k = 0.1912 0.5000-0.0000 ( 2704 PWs) bands (ev): -18.0403 -18.0403 -18.0403 -18.0403 -17.5898 -17.5898 -17.5898 -17.5898 -1.3766 -1.3766 -1.3766 -1.3766 0.0988 0.0988 0.0988 0.0988 0.1881 0.1881 0.1881 0.1881 0.7998 0.7998 0.7998 0.7998 0.9543 0.9543 0.9543 0.9543 1.8231 1.8231 1.8231 1.8231 4.8611 4.8611 4.8611 4.8611 4.9886 4.9886 4.9886 4.9886 5.3746 5.3746 5.3746 5.3746 6.1547 6.1547 6.1547 6.1547 6.4611 6.4611 6.4611 6.4611 11.7376 11.7376 11.7376 11.7376 15.2149 15.2149 k = 0.2059 0.5000-0.0000 ( 2706 PWs) bands (ev): -18.0367 -18.0367 -18.0367 -18.0367 -17.5937 -17.5937 -17.5937 -17.5937 -1.3868 -1.3868 -1.3868 -1.3868 0.0986 0.0986 0.0986 0.0986 0.1942 0.1942 0.1942 0.1942 0.8265 0.8265 0.8265 0.8265 0.9562 0.9562 0.9562 0.9562 1.8062 1.8062 1.8062 1.8062 4.8528 4.8528 4.8528 4.8528 4.9833 4.9833 4.9833 4.9833 5.3768 5.3768 5.3768 5.3768 6.1416 6.1416 6.1416 6.1416 6.4664 6.4664 6.4664 6.4664 11.7854 11.7854 11.7854 11.7854 15.1359 15.1359 k = 0.2206 0.5000-0.0000 ( 2700 PWs) bands (ev): -18.0328 -18.0328 -18.0328 -18.0328 -17.5979 -17.5979 -17.5979 -17.5979 -1.3972 -1.3972 -1.3972 -1.3972 0.0984 0.0984 0.0984 0.0984 0.2008 0.2008 0.2008 0.2008 0.8539 0.8539 0.8539 0.8539 0.9582 0.9582 0.9582 0.9582 1.7886 1.7886 1.7886 1.7886 4.8442 4.8442 4.8442 4.8442 4.9780 4.9780 4.9780 4.9780 5.3791 5.3791 5.3791 5.3791 6.1285 6.1285 6.1285 6.1285 6.4719 6.4719 6.4719 6.4719 11.8357 11.8357 11.8357 11.8357 15.0553 15.0553 k = 0.2353 0.5000-0.0000 ( 2706 PWs) bands (ev): -18.0288 -18.0288 -18.0288 -18.0288 -17.6021 -17.6021 -17.6021 -17.6021 -1.4075 -1.4075 -1.4075 -1.4075 0.0981 0.0981 0.0981 0.0981 0.2077 0.2077 0.2077 0.2077 0.8815 0.8815 0.8815 0.8815 0.9607 0.9607 0.9607 0.9607 1.7701 1.7701 1.7701 1.7701 4.8353 4.8353 4.8353 4.8353 4.9724 4.9724 4.9724 4.9724 5.3814 5.3814 5.3814 5.3814 6.1154 6.1154 6.1154 6.1154 6.4773 6.4773 6.4773 6.4773 11.8886 11.8886 11.8886 11.8886 14.9736 14.9736 k = 0.2500 0.5000-0.0000 ( 2708 PWs) bands (ev): -18.0247 -18.0247 -18.0247 -18.0247 -17.6065 -17.6065 -17.6065 -17.6065 -1.4178 -1.4178 -1.4178 -1.4178 0.0979 0.0979 0.0979 0.0979 0.2149 0.2149 0.2149 0.2149 0.9086 0.9086 0.9086 0.9086 0.9642 0.9642 0.9642 0.9642 1.7511 1.7511 1.7511 1.7511 4.8261 4.8261 4.8261 4.8261 4.9668 4.9668 4.9668 4.9668 5.3837 5.3837 5.3837 5.3837 6.1024 6.1024 6.1024 6.1024 6.4827 6.4827 6.4827 6.4827 11.9437 11.9437 11.9437 11.9437 14.8910 14.8910 k = 0.2647 0.5000-0.0000 ( 2710 PWs) bands (ev): -18.0205 -18.0205 -18.0205 -18.0205 -17.6110 -17.6110 -17.6110 -17.6110 -1.4280 -1.4280 -1.4280 -1.4280 0.0977 0.0977 0.0977 0.0977 0.2224 0.2224 0.2224 0.2224 0.9331 0.9331 0.9331 0.9331 0.9706 0.9706 0.9706 0.9706 1.7314 1.7314 1.7314 1.7314 4.8167 4.8167 4.8167 4.8167 4.9612 4.9612 4.9612 4.9612 5.3859 5.3859 5.3859 5.3859 6.0896 6.0896 6.0896 6.0896 6.4881 6.4881 6.4881 6.4881 12.0009 12.0009 12.0009 12.0009 14.8078 14.8078 k = 0.2794 0.5000-0.0000 ( 2694 PWs) bands (ev): -18.0162 -18.0162 -18.0162 -18.0162 -17.6155 -17.6155 -17.6155 -17.6155 -1.4379 -1.4379 -1.4379 -1.4379 0.0974 0.0974 0.0974 0.0974 0.2301 0.2301 0.2301 0.2301 0.9496 0.9496 0.9496 0.9496 0.9852 0.9852 0.9852 0.9852 1.7113 1.7113 1.7113 1.7113 4.8073 4.8073 4.8073 4.8073 4.9556 4.9556 4.9556 4.9556 5.3882 5.3882 5.3882 5.3882 6.0773 6.0773 6.0773 6.0773 6.4935 6.4935 6.4935 6.4935 12.0600 12.0600 12.0600 12.0600 14.7243 14.7243 k = 0.2941 0.5000-0.0000 ( 2690 PWs) bands (ev): -18.0119 -18.0119 -18.0119 -18.0119 -17.6200 -17.6200 -17.6200 -17.6200 -1.4475 -1.4475 -1.4475 -1.4475 0.0972 0.0972 0.0972 0.0972 0.2379 0.2379 0.2379 0.2379 0.9569 0.9569 0.9569 0.9569 1.0089 1.0089 1.0089 1.0089 1.6907 1.6907 1.6907 1.6907 4.7978 4.7978 4.7978 4.7978 4.9501 4.9501 4.9501 4.9501 5.3904 5.3904 5.3904 5.3904 6.0653 6.0653 6.0653 6.0653 6.4986 6.4986 6.4986 6.4986 12.1208 12.1208 12.1208 12.1208 14.6407 14.6407 k = 0.3088 0.5000-0.0000 ( 2690 PWs) bands (ev): -18.0076 -18.0076 -18.0076 -18.0076 -17.6246 -17.6246 -17.6246 -17.6246 -1.4567 -1.4567 -1.4567 -1.4567 0.0970 0.0970 0.0970 0.0970 0.2457 0.2457 0.2457 0.2457 0.9606 0.9606 0.9606 0.9606 1.0362 1.0362 1.0362 1.0362 1.6698 1.6698 1.6698 1.6698 4.7883 4.7883 4.7883 4.7883 4.9446 4.9446 4.9446 4.9446 5.3924 5.3924 5.3924 5.3924 6.0539 6.0539 6.0539 6.0539 6.5036 6.5036 6.5036 6.5036 12.1830 12.1830 12.1830 12.1830 14.5573 14.5573 k = 0.3235 0.5000-0.0000 ( 2694 PWs) bands (ev): -18.0034 -18.0034 -18.0034 -18.0034 -17.6290 -17.6290 -17.6290 -17.6290 -1.4655 -1.4655 -1.4655 -1.4655 0.0967 0.0967 0.0967 0.0967 0.2534 0.2534 0.2534 0.2534 0.9631 0.9631 0.9631 0.9631 1.0645 1.0645 1.0645 1.0645 1.6485 1.6485 1.6485 1.6485 4.7790 4.7790 4.7790 4.7790 4.9393 4.9393 4.9393 4.9393 5.3944 5.3944 5.3944 5.3944 6.0431 6.0431 6.0431 6.0431 6.5083 6.5083 6.5083 6.5083 12.2463 12.2463 12.2463 12.2463 14.4745 14.4745 k = 0.3382 0.5000-0.0000 ( 2702 PWs) bands (ev): -17.9993 -17.9993 -17.9993 -17.9993 -17.6334 -17.6334 -17.6334 -17.6334 -1.4738 -1.4738 -1.4738 -1.4738 0.0965 0.0965 0.0965 0.0965 0.2610 0.2610 0.2610 0.2610 0.9650 0.9650 0.9650 0.9650 1.0929 1.0929 1.0929 1.0929 1.6270 1.6270 1.6270 1.6270 4.7699 4.7699 4.7699 4.7699 4.9342 4.9342 4.9342 4.9342 5.3961 5.3961 5.3961 5.3961 6.0329 6.0329 6.0329 6.0329 6.5128 6.5128 6.5128 6.5128 12.3104 12.3104 12.3104 12.3104 14.3924 14.3924 k = 0.3529 0.5000-0.0000 ( 2706 PWs) bands (ev): -17.9953 -17.9953 -17.9953 -17.9953 -17.6376 -17.6376 -17.6376 -17.6376 -1.4815 -1.4815 -1.4815 -1.4815 0.0963 0.0963 0.0963 0.0963 0.2683 0.2683 0.2683 0.2683 0.9667 0.9667 0.9667 0.9667 1.1212 1.1212 1.1212 1.1212 1.6053 1.6053 1.6053 1.6053 4.7612 4.7612 4.7612 4.7612 4.9294 4.9294 4.9294 4.9294 5.3978 5.3978 5.3978 5.3978 6.0235 6.0235 6.0235 6.0235 6.5171 6.5171 6.5171 6.5171 12.3750 12.3750 12.3750 12.3750 14.3115 14.3115 k = 0.3676 0.5000-0.0000 ( 2706 PWs) bands (ev): -17.9915 -17.9915 -17.9915 -17.9915 -17.6416 -17.6416 -17.6416 -17.6416 -1.4887 -1.4887 -1.4887 -1.4887 0.0961 0.0961 0.0961 0.0961 0.2753 0.2753 0.2753 0.2753 0.9682 0.9682 0.9682 0.9682 1.1491 1.1491 1.1491 1.1491 1.5834 1.5834 1.5834 1.5834 4.7530 4.7530 4.7530 4.7530 4.9249 4.9249 4.9249 4.9249 5.3993 5.3993 5.3993 5.3993 6.0149 6.0149 6.0149 6.0149 6.5210 6.5210 6.5210 6.5210 12.4395 12.4395 12.4395 12.4395 14.2323 14.2323 k = 0.3824 0.5000-0.0000 ( 2698 PWs) bands (ev): -17.9879 -17.9879 -17.9879 -17.9879 -17.6454 -17.6454 -17.6454 -17.6454 -1.4952 -1.4952 -1.4952 -1.4952 0.0960 0.0960 0.0960 0.0960 0.2819 0.2819 0.2819 0.2819 0.9695 0.9695 0.9695 0.9695 1.1767 1.1767 1.1767 1.1767 1.5614 1.5614 1.5614 1.5614 4.7453 4.7453 4.7453 4.7453 4.9209 4.9209 4.9209 4.9209 5.4007 5.4007 5.4007 5.4007 6.0072 6.0072 6.0072 6.0072 6.5247 6.5247 6.5247 6.5247 12.5035 12.5035 12.5035 12.5035 14.1553 14.1553 k = 0.3971 0.5000-0.0000 ( 2698 PWs) bands (ev): -17.9846 -17.9846 -17.9846 -17.9846 -17.6489 -17.6489 -17.6489 -17.6489 -1.5010 -1.5010 -1.5010 -1.5010 0.0958 0.0958 0.0958 0.0958 0.2879 0.2879 0.2879 0.2879 0.9706 0.9706 0.9706 0.9706 1.2037 1.2037 1.2037 1.2037 1.5394 1.5394 1.5394 1.5394 4.7382 4.7382 4.7382 4.7382 4.9171 4.9171 4.9171 4.9171 5.4020 5.4020 5.4020 5.4020 6.0003 6.0003 6.0003 6.0003 6.5279 6.5279 6.5279 6.5279 12.5662 12.5662 12.5662 12.5662 14.0812 14.0812 k = 0.4118 0.5000-0.0000 ( 2698 PWs) bands (ev): -17.9817 -17.9817 -17.9817 -17.9817 -17.6520 -17.6520 -17.6520 -17.6520 -1.5061 -1.5061 -1.5061 -1.5061 0.0957 0.0957 0.0957 0.0957 0.2933 0.2933 0.2933 0.2933 0.9716 0.9716 0.9716 0.9716 1.2303 1.2303 1.2303 1.2303 1.5172 1.5172 1.5172 1.5172 4.7319 4.7319 4.7319 4.7319 4.9138 4.9138 4.9138 4.9138 5.4031 5.4031 5.4031 5.4031 5.9943 5.9943 5.9943 5.9943 6.5307 6.5307 6.5307 6.5307 12.6266 12.6266 12.6266 12.6266 14.0109 14.0109 k = 0.4265 0.5000-0.0000 ( 2698 PWs) bands (ev): -17.9791 -17.9791 -17.9791 -17.9791 -17.6547 -17.6547 -17.6547 -17.6547 -1.5105 -1.5105 -1.5105 -1.5105 0.0956 0.0956 0.0956 0.0956 0.2981 0.2981 0.2981 0.2981 0.9725 0.9725 0.9725 0.9725 1.2562 1.2562 1.2562 1.2562 1.4949 1.4949 1.4949 1.4949 4.7264 4.7264 4.7264 4.7264 4.9109 4.9109 4.9109 4.9109 5.4040 5.4040 5.4040 5.4040 5.9892 5.9892 5.9892 5.9892 6.5332 6.5332 6.5332 6.5332 12.6834 12.6834 12.6834 12.6834 13.9457 13.9457 k = 0.4412 0.5000-0.0000 ( 2692 PWs) bands (ev): -17.9768 -17.9768 -17.9768 -17.9768 -17.6570 -17.6570 -17.6570 -17.6570 -1.5141 -1.5141 -1.5141 -1.5141 0.0955 0.0955 0.0955 0.0955 0.3021 0.3021 0.3021 0.3021 0.9732 0.9732 0.9732 0.9732 1.2816 1.2816 1.2816 1.2816 1.4726 1.4726 1.4726 1.4726 4.7218 4.7218 4.7218 4.7218 4.9085 4.9085 4.9085 4.9085 5.4048 5.4048 5.4048 5.4048 5.9850 5.9850 5.9850 5.9850 6.5352 6.5352 6.5352 6.5352 12.7351 12.7351 12.7351 12.7351 13.8872 13.8872 k = 0.4559 0.5000-0.0000 ( 2692 PWs) bands (ev): -17.9751 -17.9751 -17.9751 -17.9751 -17.6589 -17.6589 -17.6589 -17.6589 -1.5169 -1.5169 -1.5169 -1.5169 0.0954 0.0954 0.0954 0.0954 0.3052 0.3052 0.3052 0.3052 0.9737 0.9737 0.9737 0.9737 1.3064 1.3064 1.3064 1.3064 1.4501 1.4501 1.4501 1.4501 4.7181 4.7181 4.7181 4.7181 4.9066 4.9066 4.9066 4.9066 5.4054 5.4054 5.4054 5.4054 5.9818 5.9818 5.9818 5.9818 6.5368 6.5368 6.5368 6.5368 12.7795 12.7795 12.7795 12.7795 13.8375 13.8375 k = 0.4706 0.5000-0.0000 ( 2692 PWs) bands (ev): -17.9738 -17.9738 -17.9738 -17.9738 -17.6602 -17.6602 -17.6602 -17.6602 -1.5189 -1.5189 -1.5189 -1.5189 0.0954 0.0954 0.0954 0.0954 0.3075 0.3075 0.3075 0.3075 0.9741 0.9741 0.9741 0.9741 1.3305 1.3305 1.3305 1.3305 1.4278 1.4278 1.4278 1.4278 4.7155 4.7155 4.7155 4.7155 4.9052 4.9052 4.9052 4.9052 5.4058 5.4058 5.4058 5.4058 5.9794 5.9794 5.9794 5.9794 6.5379 6.5379 6.5379 6.5379 12.8141 12.8141 12.8141 12.8141 13.7991 13.7991 k = 0.4853 0.5000-0.0000 ( 2692 PWs) bands (ev): -17.9730 -17.9730 -17.9730 -17.9730 -17.6610 -17.6610 -17.6610 -17.6610 -1.5202 -1.5202 -1.5202 -1.5202 0.0953 0.0953 0.0953 0.0953 0.3089 0.3089 0.3089 0.3089 0.9743 0.9743 0.9743 0.9743 1.3532 1.3532 1.3532 1.3532 1.4061 1.4061 1.4061 1.4061 4.7139 4.7139 4.7139 4.7139 4.9044 4.9044 4.9044 4.9044 5.4061 5.4061 5.4061 5.4061 5.9780 5.9780 5.9780 5.9780 6.5386 6.5386 6.5386 6.5386 12.8363 12.8363 12.8363 12.8363 13.7747 13.7747 k = 0.5000 0.5000-0.0000 ( 2692 PWs) bands (ev): -17.9728 -17.9728 -17.9728 -17.9728 -17.6613 -17.6613 -17.6613 -17.6613 -1.5206 -1.5206 -1.5206 -1.5206 0.0953 0.0953 0.0953 0.0953 0.3094 0.3094 0.3094 0.3094 0.9744 0.9744 0.9744 0.9744 1.3678 1.3678 1.3678 1.3678 1.3918 1.3918 1.3918 1.3918 4.7133 4.7133 4.7133 4.7133 4.9041 4.9041 4.9041 4.9041 5.4061 5.4061 5.4061 5.4061 5.9775 5.9775 5.9775 5.9775 6.5388 6.5388 6.5388 6.5388 12.8440 12.8440 12.8440 12.8440 13.7663 13.7663 k = 0.5000 0.5000-0.0000 ( 2692 PWs) bands (ev): -17.9728 -17.9728 -17.9728 -17.9728 -17.6613 -17.6613 -17.6613 -17.6613 -1.5206 -1.5206 -1.5206 -1.5206 0.0953 0.0953 0.0953 0.0953 0.3094 0.3094 0.3094 0.3094 0.9744 0.9744 0.9744 0.9744 1.3678 1.3678 1.3678 1.3678 1.3918 1.3918 1.3918 1.3918 4.7133 4.7133 4.7133 4.7133 4.9041 4.9041 4.9041 4.9041 5.4061 5.4061 5.4061 5.4061 5.9775 5.9775 5.9775 5.9775 6.5388 6.5388 6.5388 6.5388 12.8440 12.8440 12.8440 12.8440 13.7663 13.7663 k = 0.4896 0.4896-0.0000 ( 2692 PWs) bands (ev): -17.9736 -17.9736 -17.9725 -17.9725 -17.6612 -17.6612 -17.6608 -17.6608 -1.5209 -1.5209 -1.5194 -1.5194 0.0953 0.0953 0.0954 0.0954 0.3084 0.3084 0.3095 0.3095 0.9737 0.9737 0.9749 0.9749 1.3438 1.3438 1.3689 1.3689 1.3902 1.3902 1.4156 1.4156 4.7134 4.7134 4.7143 4.7143 4.9042 4.9042 4.9047 4.9047 5.4057 5.4057 5.4064 5.4064 5.9771 5.9771 5.9789 5.9789 6.5383 6.5383 6.5388 6.5388 12.8277 12.8277 12.8450 12.8450 13.7671 13.7671 k = 0.4792 0.4792-0.0000 ( 2692 PWs) bands (ev): -17.9759 -17.9759 -17.9717 -17.9717 -17.6611 -17.6611 -17.6593 -17.6593 -1.5219 -1.5219 -1.5160 -1.5160 0.0952 0.0952 0.0955 0.0955 0.3054 0.3054 0.3097 0.3097 0.9718 0.9718 0.9764 0.9764 1.3108 1.3108 1.3720 1.3720 1.3855 1.3855 1.4482 1.4482 4.7136 4.7136 4.7173 4.7173 4.9042 4.9042 4.9063 4.9063 5.4043 5.4043 5.4073 5.4073 5.9757 5.9757 5.9831 5.9831 6.5369 6.5369 6.5388 6.5388 12.7818 12.7818 12.8482 12.8482 13.7695 13.7695 k = 0.4688 0.4687-0.0000 ( 2692 PWs) bands (ev): -17.9798 -17.9798 -17.9703 -17.9703 -17.6608 -17.6608 -17.6569 -17.6569 -1.5236 -1.5236 -1.5103 -1.5103 0.0951 0.0951 0.0957 0.0957 0.3004 0.3004 0.3099 0.3099 0.9686 0.9686 0.9788 0.9788 1.2771 1.2771 1.3757 1.3757 1.3794 1.3794 1.4812 1.4812 4.7139 4.7139 4.7222 4.7222 4.9043 4.9043 4.9089 4.9089 5.4021 5.4021 5.4087 5.4087 5.9734 5.9734 5.9901 5.9901 6.5347 6.5347 6.5389 6.5389 12.7131 12.7131 12.8534 12.8534 13.7735 13.7735 k = 0.4583 0.4583-0.0000 ( 2690 PWs) bands (ev): -17.9851 -17.9851 -17.9684 -17.9684 -17.6605 -17.6605 -17.6537 -17.6537 -1.5259 -1.5259 -1.5023 -1.5023 0.0950 0.0950 0.0960 0.0960 0.2936 0.2936 0.3102 0.3102 0.9641 0.9641 0.9823 0.9823 1.2431 1.2431 1.3667 1.3667 1.3851 1.3851 1.5141 1.5141 4.7143 4.7143 4.7289 4.7289 4.9044 4.9044 4.9126 4.9126 5.3988 5.3988 5.4107 5.4107 5.9702 5.9702 5.9998 5.9998 6.5315 6.5315 6.5390 6.5390 12.6284 12.6284 12.8608 12.8608 13.7791 13.7791 k = 0.4479 0.4479-0.0000 ( 2694 PWs) bands (ev): -17.9917 -17.9917 -17.9660 -17.9660 -17.6601 -17.6601 -17.6497 -17.6497 -1.5290 -1.5290 -1.4921 -1.4921 0.0948 0.0948 0.0964 0.0964 0.2850 0.2850 0.3104 0.3104 0.9583 0.9583 0.9866 0.9866 1.2091 1.2091 1.3538 1.3538 1.3943 1.3943 1.5468 1.5468 4.7149 4.7149 4.7371 4.7371 4.9046 4.9046 4.9171 4.9171 5.3948 5.3948 5.4133 5.4133 5.9661 5.9661 6.0123 6.0123 6.5274 6.5274 6.5390 6.5390 12.5330 12.5330 12.8702 12.8702 13.7862 13.7862 k = 0.4375 0.4375-0.0000 ( 2700 PWs) bands (ev): -17.9995 -17.9995 -17.9630 -17.9630 -17.6595 -17.6595 -17.6452 -17.6452 -1.5327 -1.5327 -1.4798 -1.4798 0.0946 0.0946 0.0969 0.0969 0.2748 0.2748 0.3105 0.3105 0.9514 0.9514 0.9919 0.9919 1.1752 1.1752 1.3388 1.3388 1.4053 1.4053 1.5793 1.5793 4.7155 4.7155 4.7467 4.7467 4.9048 4.9048 4.9224 4.9224 5.3899 5.3899 5.4164 5.4164 5.9611 5.9611 6.0275 6.0275 6.5225 6.5225 6.5391 6.5391 12.4303 12.4303 12.8817 12.8817 13.7949 13.7949 k = 0.4271 0.4271-0.0000 ( 2704 PWs) bands (ev): -18.0084 -18.0084 -17.9595 -17.9595 -17.6589 -17.6589 -17.6401 -17.6401 -1.5373 -1.5373 -1.4654 -1.4654 0.0943 0.0943 0.0974 0.0974 0.2630 0.2630 0.3102 0.3102 0.9433 0.9433 0.9979 0.9979 1.1414 1.1414 1.3222 1.3222 1.4179 1.4179 1.6114 1.6114 4.7162 4.7162 4.7573 4.7573 4.9051 4.9051 4.9286 4.9286 5.3841 5.3841 5.4200 5.4200 5.9551 5.9551 6.0452 6.0452 6.5170 6.5170 6.5393 6.5393 12.3226 12.3226 12.8954 12.8954 13.8051 13.8051 k = 0.4167 0.4167-0.0000 ( 2704 PWs) bands (ev): -18.0182 -18.0182 -17.9555 -17.9555 -17.6582 -17.6582 -17.6346 -17.6346 -1.5426 -1.5426 -1.4491 -1.4491 0.0941 0.0941 0.0981 0.0981 0.2499 0.2499 0.3095 0.3095 0.9341 0.9341 1.0046 1.0046 1.1080 1.1080 1.3047 1.3047 1.4321 1.4321 1.6432 1.6432 4.7170 4.7170 4.7687 4.7687 4.9054 4.9054 4.9354 4.9354 5.3776 5.3776 5.4242 5.4242 5.9484 5.9484 6.0656 6.0656 6.5108 6.5108 6.5394 6.5394 12.2115 12.2115 12.9112 12.9112 13.8167 13.8167 k = 0.4062 0.4062-0.0000 ( 2706 PWs) bands (ev): -18.0288 -18.0288 -17.9510 -17.9510 -17.6574 -17.6574 -17.6289 -17.6289 -1.5486 -1.5486 -1.4308 -1.4308 0.0939 0.0939 0.0988 0.0988 0.2356 0.2356 0.3081 0.3081 0.9238 0.9238 1.0113 1.0113 1.0756 1.0756 1.2868 1.2868 1.4476 1.4476 1.6746 1.6746 4.7179 4.7179 4.7807 4.7807 4.9059 4.9059 4.9427 4.9427 5.3702 5.3702 5.4288 5.4288 5.9407 5.9407 6.0883 6.0883 6.5040 6.5040 6.5396 6.5396 12.0981 12.0981 12.9291 12.9291 13.8298 13.8298 k = 0.3958 0.3958-0.0000 ( 2714 PWs) bands (ev): -18.0401 -18.0401 -17.9461 -17.9461 -17.6565 -17.6565 -17.6230 -17.6230 -1.5556 -1.5556 -1.4108 -1.4108 0.0936 0.0936 0.0995 0.0995 0.2202 0.2202 0.3059 0.3059 0.9125 0.9125 1.0142 1.0142 1.0481 1.0481 1.2690 1.2690 1.4642 1.4642 1.7057 1.7057 4.7188 4.7188 4.7928 4.7928 4.9064 4.9064 4.9505 4.9505 5.3619 5.3619 5.4341 5.4341 5.9322 5.9322 6.1133 6.1133 6.4968 6.4968 6.5398 6.5398 11.9829 11.9829 12.9491 12.9491 13.8443 13.8443 k = 0.3854 0.3854-0.0000 ( 2726 PWs) bands (ev): -18.0520 -18.0520 -17.9406 -17.9406 -17.6556 -17.6556 -17.6170 -17.6170 -1.5634 -1.5634 -1.3891 -1.3891 0.0933 0.0933 0.1003 0.1003 0.2039 0.2039 0.3027 0.3027 0.9003 0.9003 0.9976 0.9976 1.0411 1.0411 1.2522 1.2522 1.4819 1.4819 1.7362 1.7362 4.7198 4.7198 4.8048 4.8048 4.9071 4.9071 4.9585 4.9585 5.3530 5.3530 5.4398 5.4398 5.9227 5.9227 6.1405 6.1405 6.4892 6.4892 6.5400 6.5400 11.8666 11.8666 12.9712 12.9712 13.8601 13.8601 k = 0.3750 0.3750-0.0000 ( 2722 PWs) bands (ev): -18.0644 -18.0644 -17.9347 -17.9347 -17.6545 -17.6545 -17.6109 -17.6109 -1.5720 -1.5720 -1.3658 -1.3658 0.0931 0.0931 0.1012 0.1012 0.1869 0.1869 0.2984 0.2984 0.8873 0.8873 0.9677 0.9677 1.0484 1.0484 1.2368 1.2368 1.5004 1.5004 1.7664 1.7664 4.7208 4.7208 4.8165 4.8165 4.9081 4.9081 4.9667 4.9667 5.3435 5.3435 5.4461 5.4461 5.9126 5.9126 6.1696 6.1696 6.4814 6.4814 6.5404 6.5404 11.7496 11.7496 12.9954 12.9954 13.8773 13.8773 k = 0.3646 0.3646-0.0000 ( 2718 PWs) bands (ev): -18.0772 -18.0772 -17.9283 -17.9283 -17.6534 -17.6534 -17.6050 -17.6050 -1.5816 -1.5816 -1.3413 -1.3413 0.0929 0.0929 0.1021 0.1021 0.1692 0.1692 0.2928 0.2928 0.8734 0.8734 0.9358 0.9358 1.0589 1.0589 1.2235 1.2235 1.5196 1.5196 1.7961 1.7961 4.7219 4.7219 4.8277 4.8277 4.9093 4.9093 4.9749 4.9749 5.3333 5.3333 5.4529 5.4529 5.9016 5.9016 6.2005 6.2005 6.4735 6.4735 6.5407 6.5407 11.6321 11.6321 13.0218 13.0218 13.8956 13.8956 k = 0.3542 0.3542-0.0000 ( 2710 PWs) bands (ev): -18.0903 -18.0903 -17.9215 -17.9215 -17.6522 -17.6522 -17.5991 -17.5991 -1.5922 -1.5922 -1.3155 -1.3155 0.0927 0.0927 0.1031 0.1031 0.1511 0.1511 0.2858 0.2858 0.8589 0.8589 0.9037 0.9037 1.0707 1.0707 1.2128 1.2128 1.5394 1.5394 1.8253 1.8253 4.7230 4.7230 4.8380 4.8380 4.9108 4.9108 4.9830 4.9830 5.3225 5.3225 5.4601 5.4601 5.8898 5.8898 6.2329 6.2329 6.4657 6.4657 6.5412 6.5412 11.5145 11.5145 13.0502 13.0502 13.9152 13.9152 k = 0.3438 0.3437-0.0000 ( 2714 PWs) bands (ev): -18.1037 -18.1037 -17.9144 -17.9144 -17.6510 -17.6510 -17.5934 -17.5934 -1.6038 -1.6038 -1.2887 -1.2887 0.0925 0.0925 0.1039 0.1039 0.1327 0.1327 0.2775 0.2775 0.8436 0.8436 0.8717 0.8717 1.0834 1.0834 1.2051 1.2051 1.5596 1.5596 1.8540 1.8540 4.7241 4.7241 4.8471 4.8471 4.9127 4.9127 4.9908 4.9908 5.3111 5.3111 5.4677 5.4677 5.8773 5.8773 6.2664 6.2664 6.4579 6.4579 6.5418 6.5418 11.3970 11.3970 13.0808 13.0808 13.9358 13.9358 k = 0.3333 0.3333-0.0000 ( 2708 PWs) bands (ev): -18.1173 -18.1173 -17.9068 -17.9068 -17.6497 -17.6497 -17.5879 -17.5879 -1.6165 -1.6165 -1.2610 -1.2610 0.0924 0.0924 0.1037 0.1037 0.1151 0.1151 0.2679 0.2679 0.8276 0.8276 0.8402 0.8402 1.0968 1.0968 1.2008 1.2008 1.5802 1.5802 1.8822 1.8822 4.7251 4.7251 4.8551 4.8551 4.9151 4.9151 4.9982 4.9982 5.2993 5.2993 5.4756 5.4756 5.8640 5.8640 6.3009 6.3009 6.4505 6.4505 6.5426 6.5426 11.2799 11.2799 13.1134 13.1134 13.9575 13.9575 k = 0.3229 0.3229-0.0000 ( 2710 PWs) bands (ev): -18.1309 -18.1309 -17.8989 -17.8989 -17.6484 -17.6484 -17.5826 -17.5826 -1.6301 -1.6301 -1.2328 -1.2328 0.0903 0.0903 0.0946 0.0946 0.1083 0.1083 0.2572 0.2572 0.8076 0.8076 0.8126 0.8126 1.1109 1.1109 1.2002 1.2002 1.6010 1.6010 1.9098 1.9098 4.7262 4.7262 4.8617 4.8617 4.9178 4.9178 5.0050 5.0050 5.2869 5.2869 5.4840 5.4840 5.8501 5.8501 6.3360 6.3360 6.4435 6.4435 6.5436 6.5436 11.1632 11.1632 13.1481 13.1481 13.9802 13.9802 k = 0.3125 0.3125-0.0000 ( 2708 PWs) bands (ev): -18.1446 -18.1446 -17.8906 -17.8906 -17.6470 -17.6470 -17.5776 -17.5776 -1.6449 -1.6449 -1.2041 -1.2041 0.0736 0.0736 0.0930 0.0930 0.1087 0.1087 0.2456 0.2456 0.7776 0.7776 0.7950 0.7950 1.1256 1.1256 1.2034 1.2034 1.6219 1.6219 1.9367 1.9367 4.7272 4.7272 4.8670 4.8670 4.9208 4.9208 5.0110 5.0110 5.2743 5.2743 5.4927 5.4927 5.8355 5.8355 6.3713 6.3713 6.4371 6.4371 6.5450 6.5450 11.0472 11.0472 13.1848 13.1848 14.0038 14.0038 k = 0.3021 0.3021-0.0000 ( 2700 PWs) bands (ev): -18.1584 -18.1584 -17.8820 -17.8820 -17.6456 -17.6456 -17.5729 -17.5729 -1.6607 -1.6607 -1.1753 -1.1753 0.0546 0.0546 0.0931 0.0931 0.1098 0.1098 0.2334 0.2334 0.7475 0.7475 0.7777 0.7777 1.1408 1.1408 1.2103 1.2103 1.6429 1.6429 1.9631 1.9631 4.7282 4.7282 4.8710 4.8710 4.9240 4.9240 5.0164 5.0164 5.2613 5.2613 5.5018 5.5018 5.8203 5.8203 6.4062 6.4062 6.4316 6.4316 6.5471 6.5471 10.9321 10.9321 13.2235 13.2235 14.0282 14.0282 k = 0.2917 0.2917-0.0000 ( 2698 PWs) bands (ev): -18.1721 -18.1721 -17.8731 -17.8731 -17.6441 -17.6441 -17.5686 -17.5686 -1.6775 -1.6775 -1.1465 -1.1465 0.0354 0.0354 0.0933 0.0933 0.1110 0.1110 0.2210 0.2210 0.7179 0.7179 0.7602 0.7602 1.1565 1.1565 1.2210 1.2210 1.6637 1.6637 1.9889 1.9889 4.7292 4.7292 4.8740 4.8740 4.9271 4.9271 5.0207 5.0207 5.2480 5.2480 5.5111 5.5111 5.8045 5.8045 6.4255 6.4255 6.4413 6.4413 6.5504 6.5504 10.8181 10.8181 13.2642 13.2642 14.0534 14.0534 k = 0.2812 0.2812-0.0000 ( 2698 PWs) bands (ev): -18.1857 -18.1857 -17.8640 -17.8640 -17.6426 -17.6426 -17.5646 -17.5646 -1.6954 -1.6954 -1.1180 -1.1180 0.0164 0.0164 0.0937 0.0937 0.1123 0.1123 0.2087 0.2087 0.6889 0.6889 0.7424 0.7424 1.1727 1.1727 1.2353 1.2353 1.6845 1.6845 2.0140 2.0140 4.7301 4.7301 4.8761 4.8761 4.9299 4.9299 5.0239 5.0239 5.2345 5.2345 5.5206 5.5206 5.7881 5.7881 6.4219 6.4219 6.4721 6.4721 6.5563 6.5563 10.7054 10.7054 13.3068 13.3068 14.0792 14.0792 k = 0.2708 0.2708-0.0000 ( 2706 PWs) bands (ev): -18.1992 -18.1992 -17.8546 -17.8546 -17.6411 -17.6411 -17.5609 -17.5609 -1.7143 -1.7143 -1.0901 -1.0901 -0.0025 -0.0025 0.0941 0.0941 0.1136 0.1136 0.1969 0.1969 0.6606 0.6606 0.7245 0.7245 1.1895 1.1895 1.2528 1.2528 1.7050 1.7050 2.0384 2.0384 4.7309 4.7309 4.8775 4.8775 4.9321 4.9321 5.0259 5.0259 5.2208 5.2208 5.5303 5.5303 5.7713 5.7713 6.4189 6.4189 6.4977 6.4977 6.5675 6.5675 10.5941 10.5941 13.3513 13.3513 14.1056 14.1056 k = 0.2604 0.2604-0.0000 ( 2700 PWs) bands (ev): -18.2125 -18.2125 -17.8450 -17.8450 -17.6396 -17.6396 -17.5576 -17.5576 -1.7341 -1.7341 -1.0629 -1.0629 -0.0212 -0.0212 0.0947 0.0947 0.1150 0.1150 0.1860 0.1860 0.6331 0.6331 0.7065 0.7065 1.2067 1.2067 1.2736 1.2736 1.7252 1.7252 2.0621 2.0621 4.7317 4.7317 4.8783 4.8783 4.9337 4.9337 5.0268 5.0268 5.2071 5.2071 5.5403 5.5403 5.7542 5.7542 6.4169 6.4169 6.5144 6.5144 6.5872 6.5872 10.4845 10.4845 13.3976 13.3976 14.1325 14.1325 k = 0.2500 0.2500-0.0000 ( 2700 PWs) bands (ev): -18.2256 -18.2256 -17.8352 -17.8352 -17.6381 -17.6381 -17.5547 -17.5547 -1.7547 -1.7547 -1.0367 -1.0367 -0.0396 -0.0396 0.0954 0.0954 0.1163 0.1163 0.1763 0.1763 0.6063 0.6063 0.6884 0.6884 1.2243 1.2243 1.2972 1.2972 1.7451 1.7451 2.0851 2.0851 4.7324 4.7324 4.8786 4.8786 4.9345 4.9345 5.0264 5.0264 5.1933 5.1933 5.5502 5.5502 5.7366 5.7366 6.4159 6.4159 6.5233 6.5233 6.6141 6.6141 10.3768 10.3768 13.4456 13.4456 14.1598 14.1598 k = 0.2396 0.2396-0.0000 ( 2700 PWs) bands (ev): -18.2385 -18.2385 -17.8252 -17.8252 -17.6366 -17.6366 -17.5521 -17.5521 -1.7761 -1.7761 -1.0118 -1.0118 -0.0576 -0.0576 0.0963 0.0963 0.1177 0.1177 0.1681 0.1681 0.5803 0.5803 0.6704 0.6704 1.2422 1.2422 1.3236 1.3236 1.7646 1.7646 2.1073 2.1073 4.7331 4.7331 4.8784 4.8784 4.9345 4.9345 5.0248 5.0248 5.1795 5.1795 5.5604 5.5604 5.7188 5.7188 6.4160 6.4160 6.5281 6.5281 6.6442 6.6442 10.2711 10.2711 13.4953 13.4953 14.1874 14.1874 k = 0.2292 0.2292-0.0000 ( 2692 PWs) bands (ev): -18.2510 -18.2510 -17.8151 -17.8151 -17.6350 -17.6350 -17.5500 -17.5500 -1.7982 -1.7982 -0.9881 -0.9881 -0.0751 -0.0751 0.0973 0.0973 0.1191 0.1191 0.1617 0.1617 0.5552 0.5552 0.6525 0.6525 1.2602 1.2602 1.3526 1.3526 1.7836 1.7836 2.1288 2.1288 4.7337 4.7337 4.8779 4.8779 4.9337 4.9337 5.0220 5.0220 5.1658 5.1658 5.5705 5.5705 5.7010 5.7010 6.4173 6.4173 6.5310 6.5310 6.6753 6.6753 10.1677 10.1677 13.5466 13.5466 14.2152 14.2152 k = 0.2188 0.2187-0.0000 ( 2696 PWs) bands (ev): -18.2633 -18.2633 -17.8049 -17.8049 -17.6335 -17.6335 -17.5483 -17.5483 -1.8209 -1.8209 -0.9660 -0.9660 -0.0923 -0.0923 0.0984 0.0984 0.1204 0.1204 0.1571 0.1571 0.5309 0.5309 0.6348 0.6348 1.2783 1.2783 1.3838 1.3838 1.8022 1.8022 2.1494 2.1494 4.7342 4.7342 4.8768 4.8768 4.9320 4.9320 5.0180 5.0180 5.1521 5.1521 5.5804 5.5804 5.6830 5.6830 6.4196 6.4196 6.5330 6.5330 6.7062 6.7062 10.0668 10.0668 13.5994 13.5994 14.2431 14.2431 k = 0.2083 0.2083-0.0000 ( 2694 PWs) bands (ev): -18.2752 -18.2752 -17.7946 -17.7946 -17.6320 -17.6320 -17.5469 -17.5469 -1.8440 -1.8440 -0.9455 -0.9455 -0.1089 -0.1089 0.0997 0.0997 0.1218 0.1218 0.1544 0.1544 0.5076 0.5076 0.6173 0.6173 1.2963 1.2963 1.4172 1.4172 1.8202 1.8202 2.1693 2.1693 4.7345 4.7345 4.8753 4.8753 4.9296 4.9296 5.0129 5.0129 5.1386 5.1386 5.5902 5.5902 5.6652 5.6652 6.4228 6.4228 6.5345 6.5345 6.7364 6.7364 9.9686 9.9686 13.6536 13.6536 14.2711 14.2711 k = 0.1979 0.1979-0.0000 ( 2690 PWs) bands (ev): -18.2867 -18.2867 -17.7842 -17.7842 -17.6306 -17.6306 -17.5460 -17.5460 -1.8673 -1.8673 -0.9267 -0.9267 -0.1250 -0.1250 0.1011 0.1011 0.1231 0.1231 0.1538 0.1538 0.4852 0.4852 0.6001 0.6001 1.3141 1.3141 1.4524 1.4524 1.8376 1.8376 2.1883 2.1883 4.7348 4.7348 4.8732 4.8732 4.9266 4.9266 5.0069 5.0069 5.1252 5.1252 5.5995 5.5995 5.6480 5.6480 6.4269 6.4269 6.5357 6.5357 6.7656 6.7656 9.8734 9.8734 13.7091 13.7091 14.2989 14.2989 k = 0.1875 0.1875-0.0000 ( 2690 PWs) bands (ev): -18.2978 -18.2978 -17.7738 -17.7738 -17.6291 -17.6291 -17.5456 -17.5456 -1.8908 -1.8908 -0.9097 -0.9097 -0.1405 -0.1405 0.1027 0.1027 0.1244 0.1244 0.1551 0.1551 0.4638 0.4638 0.5832 0.5832 1.3318 1.3318 1.4891 1.4891 1.8543 1.8543 2.2064 2.2064 4.7349 4.7349 4.8704 4.8704 4.9232 4.9232 5.0000 5.0000 5.1120 5.1120 5.6067 5.6067 5.6329 5.6329 6.4318 6.4318 6.5368 6.5368 6.7936 6.7936 9.7814 9.7814 13.7658 13.7658 14.3265 14.3265 k = 0.1771 0.1771-0.0000 ( 2686 PWs) bands (ev): -18.3085 -18.3085 -17.7634 -17.7634 -17.6277 -17.6277 -17.5455 -17.5455 -1.9142 -1.9142 -0.8943 -0.8943 -0.1554 -0.1554 0.1044 0.1044 0.1257 0.1257 0.1582 0.1582 0.4434 0.4434 0.5667 0.5667 1.3492 1.3492 1.5271 1.5271 1.8704 1.8704 2.2237 2.2237 4.7349 4.7349 4.8668 4.8668 4.9194 4.9194 4.9926 4.9926 5.0989 5.0989 5.6042 5.6042 5.6277 5.6277 6.4374 6.4374 6.5378 6.5378 6.8202 6.8202 9.6928 9.6928 13.8234 13.8234 14.3538 14.3538 k = 0.1667 0.1667-0.0000 ( 2694 PWs) bands (ev): -18.3187 -18.3187 -17.7530 -17.7530 -17.6264 -17.6264 -17.5459 -17.5459 -1.9374 -1.9374 -0.8807 -0.8807 -0.1696 -0.1696 0.1063 0.1063 0.1269 0.1269 0.1629 0.1629 0.4241 0.4241 0.5506 0.5506 1.3661 1.3661 1.5660 1.5660 1.8858 1.8858 2.2400 2.2400 4.7346 4.7346 4.8621 4.8621 4.9154 4.9154 4.9847 4.9847 5.0861 5.0861 5.5905 5.5905 5.6338 5.6338 6.4435 6.4435 6.5387 6.5387 6.8454 6.8454 9.6078 9.6078 13.8820 13.8820 14.3806 14.3806 k = 0.1562 0.1562-0.0000 ( 2686 PWs) bands (ev): -18.3283 -18.3283 -17.7427 -17.7427 -17.6251 -17.6251 -17.5466 -17.5466 -1.9601 -1.9601 -0.8686 -0.8686 -0.1832 -0.1832 0.1083 0.1083 0.1281 0.1281 0.1690 0.1690 0.4058 0.4058 0.5351 0.5351 1.3826 1.3826 1.6056 1.6056 1.9005 1.9005 2.2555 2.2555 4.7341 4.7341 4.8564 4.8564 4.9116 4.9116 4.9766 4.9766 5.0735 5.0735 5.5748 5.5748 5.6420 5.6420 6.4500 6.4500 6.5398 6.5398 6.8691 6.8691 9.5267 9.5267 13.9412 13.9412 14.4069 14.4069 k = 0.1458 0.1458-0.0000 ( 2680 PWs) bands (ev): -18.3375 -18.3375 -17.7324 -17.7324 -17.6239 -17.6239 -17.5478 -17.5478 -1.9824 -1.9824 -0.8580 -0.8580 -0.1961 -0.1961 0.1105 0.1105 0.1293 0.1293 0.1763 0.1763 0.3886 0.3886 0.5201 0.5201 1.3985 1.3985 1.6454 1.6454 1.9144 1.9144 2.2700 2.2700 4.7334 4.7334 4.8497 4.8497 4.9081 4.9081 4.9684 4.9684 5.0613 5.0613 5.5593 5.5593 5.6506 5.6506 6.4567 6.4567 6.5409 6.5409 6.8912 6.8912 9.4497 9.4497 14.0010 14.0010 14.4324 14.4324 k = 0.1354 0.1354-0.0000 ( 2688 PWs) bands (ev): -18.3462 -18.3462 -17.7223 -17.7223 -17.6227 -17.6227 -17.5494 -17.5494 -2.0039 -2.0039 -0.8489 -0.8489 -0.2081 -0.2081 0.1127 0.1127 0.1304 0.1304 0.1845 0.1845 0.3726 0.3726 0.5057 0.5057 1.4138 1.4138 1.6851 1.6851 1.9275 1.9275 2.2836 2.2836 4.7323 4.7323 4.8419 4.8419 4.9048 4.9048 4.9602 4.9602 5.0493 5.0493 5.5443 5.5443 5.6589 5.6589 6.4635 6.4635 6.5420 6.5420 6.9117 6.9117 9.3770 9.3770 14.0610 14.0610 14.4572 14.4572 k = 0.1250 0.1250-0.0000 ( 2688 PWs) bands (ev): -18.3543 -18.3543 -17.7122 -17.7122 -17.6216 -17.6216 -17.5515 -17.5515 -2.0245 -2.0245 -0.8410 -0.8410 -0.2195 -0.2195 0.1150 0.1150 0.1315 0.1315 0.1933 0.1933 0.3576 0.3576 0.4920 0.4920 1.4284 1.4284 1.7243 1.7243 1.9399 1.9399 2.2962 2.2962 4.7308 4.7308 4.8335 4.8335 4.9017 4.9017 4.9523 4.9523 5.0378 5.0378 5.5300 5.5300 5.6669 5.6669 6.4701 6.4701 6.5433 6.5433 6.9306 6.9306 9.3089 9.3089 14.1209 14.1209 14.4809 14.4809 k = 0.1146 0.1146-0.0000 ( 2688 PWs) bands (ev): -18.3618 -18.3618 -17.7023 -17.7023 -17.6205 -17.6205 -17.5539 -17.5539 -2.0441 -2.0441 -0.8342 -0.8342 -0.2300 -0.2300 0.1174 0.1174 0.1325 0.1325 0.2024 0.2024 0.3438 0.3438 0.4791 0.4791 1.4422 1.4422 1.7625 1.7625 1.9514 1.9514 2.3078 2.3078 4.7287 4.7287 4.8247 4.8247 4.8989 4.8989 4.9448 4.9448 5.0268 5.0268 5.5166 5.5166 5.6745 5.6745 6.4765 6.4765 6.5448 6.5448 6.9479 6.9479 9.2455 9.2455 14.1806 14.1806 14.5036 14.5036 k = 0.1042 0.1042-0.0000 ( 2678 PWs) bands (ev): -18.3687 -18.3687 -17.6926 -17.6926 -17.6195 -17.6195 -17.5568 -17.5568 -2.0625 -2.0625 -0.8284 -0.8284 -0.2396 -0.2396 0.1198 0.1198 0.1335 0.1335 0.2117 0.2117 0.3313 0.3313 0.4670 0.4670 1.4551 1.4551 1.7994 1.7994 1.9622 1.9622 2.3185 2.3185 4.7262 4.7262 4.8160 4.8160 4.8962 4.8962 4.9378 4.9378 5.0165 5.0165 5.5041 5.5041 5.6816 5.6816 6.4826 6.4826 6.5464 6.5464 6.9636 6.9636 9.1870 9.1870 14.2395 14.2395 14.5251 14.5251 k = 0.0938 0.0937-0.0000 ( 2678 PWs) bands (ev): -18.3750 -18.3750 -17.6831 -17.6831 -17.6186 -17.6186 -17.5600 -17.5600 -2.0796 -2.0796 -0.8235 -0.8235 -0.2485 -0.2485 0.1221 0.1221 0.1344 0.1344 0.2207 0.2207 0.3199 0.3199 0.4557 0.4557 1.4671 1.4671 1.8345 1.8345 1.9721 1.9721 2.3282 2.3282 4.7229 4.7229 4.8076 4.8076 4.8935 4.8935 4.9314 4.9314 5.0069 5.0069 5.4927 5.4927 5.6882 5.6882 6.4880 6.4880 6.5482 6.5482 6.9777 6.9777 9.1335 9.1335 14.2972 14.2972 14.5453 14.5453 k = 0.0833 0.0833-0.0000 ( 2676 PWs) bands (ev): -18.3807 -18.3807 -17.6738 -17.6738 -17.6178 -17.6178 -17.5637 -17.5637 -2.0953 -2.0953 -0.8195 -0.8195 -0.2564 -0.2564 0.1244 0.1244 0.1353 0.1353 0.2292 0.2292 0.3098 0.3098 0.4454 0.4454 1.4780 1.4780 1.8672 1.8672 1.9813 1.9813 2.3368 2.3368 4.7189 4.7189 4.8000 4.8000 4.8909 4.8909 4.9256 4.9256 4.9980 4.9980 5.4823 5.4823 5.6942 5.6942 6.4929 6.4929 6.5502 6.5502 6.9903 6.9903 9.0853 9.0853 14.3530 14.3530 14.5640 14.5640 k = 0.0729 0.0729-0.0000 ( 2676 PWs) bands (ev): -18.3857 -18.3857 -17.6647 -17.6647 -17.6171 -17.6171 -17.5677 -17.5677 -2.1093 -2.1093 -0.8161 -0.8161 -0.2635 -0.2635 0.1265 0.1265 0.1362 0.1362 0.2371 0.2371 0.3010 0.3010 0.4360 0.4360 1.4878 1.4878 1.8970 1.8970 1.9898 1.9898 2.3445 2.3445 4.7142 4.7142 4.7934 4.7934 4.8881 4.8881 4.9207 4.9207 4.9901 4.9901 5.4731 5.4731 5.6995 5.6995 6.4971 6.4971 6.5523 6.5523 7.0012 7.0012 9.0425 9.0425 14.4062 14.4062 14.5814 14.5814 k = 0.0625 0.0625-0.0000 ( 2676 PWs) bands (ev): -18.3901 -18.3901 -17.6559 -17.6559 -17.6164 -17.6164 -17.5721 -17.5721 -2.1217 -2.1217 -0.8133 -0.8133 -0.2697 -0.2697 0.1284 0.1284 0.1371 0.1371 0.2439 0.2439 0.2936 0.2936 0.4278 0.4278 1.4965 1.4965 1.9234 1.9234 1.9977 1.9977 2.3512 2.3512 4.7091 4.7091 4.7879 4.7879 4.8854 4.8854 4.9164 4.9164 4.9832 4.9832 5.4650 5.4650 5.7043 5.7043 6.5006 6.5006 6.5544 6.5544 7.0106 7.0106 9.0051 9.0051 14.4558 14.4558 14.5974 14.5974 k = 0.0521 0.0521-0.0000 ( 2668 PWs) bands (ev): -18.3939 -18.3939 -17.6473 -17.6473 -17.6159 -17.6159 -17.5769 -17.5769 -2.1324 -2.1324 -0.8111 -0.8111 -0.2749 -0.2749 0.1301 0.1301 0.1380 0.1380 0.2496 0.2496 0.2879 0.2879 0.4207 0.4207 1.5039 1.5039 1.9457 1.9457 2.0051 2.0051 2.3568 2.3568 4.7039 4.7039 4.7836 4.7836 4.8828 4.8828 4.9130 4.9130 4.9774 4.9774 5.4583 5.4583 5.7084 5.7084 6.5035 6.5035 6.5564 6.5564 7.0186 7.0186 8.9734 8.9734 14.5003 14.5003 14.6123 14.6123 k = 0.0417 0.0417-0.0000 ( 2668 PWs) bands (ev): -18.3969 -18.3969 -17.6392 -17.6392 -17.6154 -17.6154 -17.5820 -17.5820 -2.1412 -2.1412 -0.8093 -0.8093 -0.2792 -0.2792 0.1314 0.1314 0.1388 0.1388 0.2537 0.2537 0.2838 0.2838 0.4147 0.4147 1.5100 1.5100 1.9635 1.9635 2.0124 2.0124 2.3614 2.3614 4.6989 4.6989 4.7803 4.7803 4.8804 4.8804 4.9102 4.9102 4.9725 4.9725 5.4527 5.4527 5.7117 5.7117 6.5057 6.5057 6.5583 6.5583 7.0250 7.0250 8.9473 8.9473 14.5381 14.5381 14.6264 14.6264 k = 0.0312 0.0312-0.0000 ( 2664 PWs) bands (ev): -18.3993 -18.3993 -17.6314 -17.6314 -17.6150 -17.6150 -17.5875 -17.5875 -2.1481 -2.1481 -0.8080 -0.8080 -0.2826 -0.2826 0.1324 0.1324 0.1395 0.1395 0.2560 0.2560 0.2814 0.2814 0.4101 0.4101 1.5148 1.5148 1.9765 1.9765 2.0193 2.0193 2.3650 2.3650 4.6946 4.6946 4.7779 4.7779 4.8783 4.8783 4.9082 4.9082 4.9688 4.9688 5.4483 5.4483 5.7144 5.7144 6.5074 6.5074 6.5599 6.5599 7.0300 7.0300 8.9269 8.9269 14.5673 14.5673 14.6400 14.6400 k = 0.0208 0.0208-0.0000 ( 2666 PWs) bands (ev): -18.4010 -18.4010 -17.6243 -17.6243 -17.6146 -17.6146 -17.5930 -17.5930 -2.1531 -2.1531 -0.8071 -0.8071 -0.2850 -0.2850 0.1331 0.1331 0.1402 0.1402 0.2570 0.2570 0.2805 0.2805 0.4067 0.4067 1.5183 1.5183 1.9849 1.9849 2.0252 2.0252 2.3676 2.3676 4.6912 4.6912 4.7763 4.7763 4.8767 4.8767 4.9068 4.9068 4.9661 4.9661 5.4451 5.4451 5.7163 5.7163 6.5086 6.5086 6.5611 6.5611 7.0335 7.0335 8.9123 8.9123 14.5869 14.5869 14.6526 14.6526 k = 0.0104 0.0104-0.0000 ( 2666 PWs) bands (ev): -18.4021 -18.4021 -17.6186 -17.6186 -17.6139 -17.6139 -17.5982 -17.5982 -2.1561 -2.1561 -0.8066 -0.8066 -0.2864 -0.2864 0.1335 0.1335 0.1406 0.1406 0.2573 0.2573 0.2804 0.2804 0.4047 0.4047 1.5204 1.5204 1.9895 1.9895 2.0294 2.0294 2.3691 2.3691 4.6890 4.6890 4.7754 4.7754 4.8757 4.8757 4.9059 4.9059 4.9645 4.9645 5.4432 5.4432 5.7174 5.7174 6.5093 6.5093 6.5619 6.5619 7.0356 7.0356 8.9036 8.9036 14.5976 14.5976 14.6619 14.6619 k = 0.0000 0.0000 0.0000 ( 2657 PWs) bands (ev): -18.4024 -18.4024 -17.6165 -17.6165 -17.6128 -17.6128 -17.6010 -17.6010 -2.1571 -2.1571 -0.8064 -0.8064 -0.2869 -0.2869 0.1337 0.1337 0.1407 0.1407 0.2573 0.2573 0.2804 0.2804 0.4040 0.4040 1.5211 1.5211 1.9910 1.9910 2.0308 2.0308 2.3697 2.3697 4.6883 4.6883 4.7751 4.7751 4.8754 4.8754 4.9056 4.9056 4.9640 4.9640 5.4426 5.4426 5.7178 5.7178 6.5095 6.5095 6.5622 6.5622 7.0364 7.0364 8.9007 8.9007 14.6010 14.6010 14.6654 14.6654 k = 0.0000 0.0000 0.0000 ( 2657 PWs) bands (ev): -18.4024 -18.4024 -17.6165 -17.6165 -17.6128 -17.6128 -17.6010 -17.6010 -2.1571 -2.1571 -0.8064 -0.8064 -0.2869 -0.2869 0.1337 0.1337 0.1407 0.1407 0.2573 0.2573 0.2804 0.2804 0.4040 0.4040 1.5211 1.5211 1.9910 1.9910 2.0308 2.0308 2.3697 2.3697 4.6883 4.6883 4.7751 4.7751 4.8754 4.8754 4.9056 4.9056 4.9640 4.9640 5.4426 5.4426 5.7178 5.7178 6.5095 6.5095 6.5622 6.5622 7.0364 7.0364 8.9007 8.9007 14.6010 14.6010 14.6654 14.6654 k = 0.0000 0.0000 0.0148 ( 2669 PWs) bands (ev): -18.4021 -18.4021 -17.6165 -17.6165 -17.6128 -17.6128 -17.6010 -17.6010 -2.1564 -2.1564 -0.8062 -0.8062 -0.2862 -0.2862 0.1305 0.1305 0.1367 0.1367 0.2613 0.2613 0.2838 0.2838 0.4026 0.4026 1.5186 1.5186 1.9902 1.9902 2.0300 2.0300 2.3693 2.3693 4.6886 4.6886 4.7757 4.7757 4.8756 4.8756 4.9059 4.9059 4.9640 4.9640 5.4433 5.4433 5.7175 5.7175 6.5086 6.5086 6.5613 6.5613 7.0357 7.0357 8.9038 8.9038 14.6038 14.6038 14.6682 14.6682 k = 0.0000 0.0000 0.0296 ( 2669 PWs) bands (ev): -18.4011 -18.4011 -17.6164 -17.6164 -17.6127 -17.6127 -17.6011 -17.6011 -2.1542 -2.1542 -0.8055 -0.8055 -0.2842 -0.2842 0.1217 0.1217 0.1262 0.1262 0.2721 0.2721 0.2931 0.2931 0.3987 0.3987 1.5113 1.5113 1.9879 1.9879 2.0276 2.0276 2.3682 2.3682 4.6893 4.6893 4.7775 4.7775 4.8764 4.8764 4.9069 4.9069 4.9641 4.9641 5.4453 5.4453 5.7167 5.7167 6.5062 6.5062 6.5588 6.5588 7.0339 7.0339 8.9132 8.9132 14.6122 14.6122 14.6766 14.6766 k = 0.0000 0.0000 0.0443 ( 2661 PWs) bands (ev): -18.3994 -18.3994 -17.6163 -17.6163 -17.6125 -17.6125 -17.6012 -17.6012 -2.1505 -2.1505 -0.8044 -0.8044 -0.2807 -0.2807 0.1090 0.1090 0.1115 0.1115 0.2869 0.2869 0.3066 0.3066 0.3922 0.3922 1.4992 1.4992 1.9840 1.9840 2.0236 2.0236 2.3663 2.3663 4.6906 4.6906 4.7805 4.7805 4.8776 4.8776 4.9087 4.9087 4.9643 4.9643 5.4487 5.4487 5.7153 5.7153 6.5022 6.5022 6.5549 6.5549 7.0308 7.0308 8.9288 8.9288 14.6261 14.6261 14.6906 14.6906 k = 0.0000 0.0000 0.0591 ( 2669 PWs) bands (ev): -18.3971 -18.3971 -17.6161 -17.6161 -17.6123 -17.6123 -17.6013 -17.6013 -2.1453 -2.1453 -0.8029 -0.8029 -0.2758 -0.2758 0.0938 0.0938 0.0947 0.0947 0.3036 0.3036 0.3229 0.3229 0.3837 0.3837 1.4823 1.4823 1.9785 1.9785 2.0181 2.0181 2.3637 2.3637 4.6923 4.6923 4.7844 4.7844 4.8791 4.8791 4.9110 4.9110 4.9646 4.9646 5.4534 5.4534 5.7133 5.7133 6.4965 6.4965 6.5493 6.5493 7.0265 7.0265 8.9506 8.9506 14.6456 14.6456 14.7100 14.7100 k = 0.0000 0.0000 0.0739 ( 2669 PWs) bands (ev): -18.3941 -18.3941 -17.6158 -17.6158 -17.6120 -17.6120 -17.6015 -17.6015 -2.1387 -2.1387 -0.8009 -0.8009 -0.2696 -0.2696 0.0769 0.0769 0.0773 0.0773 0.3198 0.3198 0.3410 0.3410 0.3743 0.3743 1.4608 1.4608 1.9716 1.9716 2.0110 2.0110 2.3603 2.3603 4.6945 4.6945 4.7896 4.7896 4.8811 4.8811 4.9140 4.9140 4.9650 4.9650 5.4594 5.4594 5.7109 5.7109 6.4895 6.4895 6.5423 6.5423 7.0209 7.0209 8.9785 8.9785 14.6705 14.6705 14.7350 14.7350 k = 0.0000 0.0000 0.0887 ( 2669 PWs) bands (ev): -18.3905 -18.3905 -17.6154 -17.6154 -17.6117 -17.6117 -17.6018 -17.6018 -2.1307 -2.1307 -0.7985 -0.7985 -0.2620 -0.2620 0.0585 0.0585 0.0600 0.0600 0.3299 0.3299 0.3601 0.3601 0.3692 0.3692 1.4349 1.4349 1.9631 1.9631 2.0023 2.0023 2.3561 2.3561 4.6971 4.6971 4.7957 4.7957 4.8833 4.8833 4.9177 4.9177 4.9657 4.9657 5.4667 5.4667 5.7078 5.7078 6.4809 6.4809 6.5338 6.5338 7.0141 7.0141 9.0124 9.0124 14.7007 14.7007 14.7652 14.7652 k = 0.0000 0.0000 0.1035 ( 2669 PWs) bands (ev): -18.3862 -18.3862 -17.6150 -17.6150 -17.6113 -17.6113 -17.6021 -17.6021 -2.1212 -2.1212 -0.7958 -0.7958 -0.2531 -0.2531 0.0401 0.0401 0.0425 0.0425 0.3245 0.3245 0.3775 0.3775 0.3797 0.3797 1.4049 1.4049 1.9532 1.9532 1.9922 1.9922 2.3511 2.3511 4.7002 4.7002 4.8028 4.8028 4.8858 4.8858 4.9220 4.9220 4.9666 4.9666 5.4752 5.4752 5.7043 5.7043 6.4710 6.4710 6.5239 6.5239 7.0061 7.0061 9.0522 9.0522 14.7361 14.7361 14.8007 14.8007 k = 0.0000 0.0000 0.1183 ( 2673 PWs) bands (ev): -18.3813 -18.3813 -17.6146 -17.6146 -17.6109 -17.6109 -17.6025 -17.6025 -2.1104 -2.1104 -0.7926 -0.7926 -0.2428 -0.2428 0.0219 0.0219 0.0250 0.0250 0.3084 0.3084 0.3942 0.3942 0.3996 0.3996 1.3708 1.3708 1.9419 1.9419 1.9805 1.9805 2.3453 2.3453 4.7038 4.7038 4.8106 4.8106 4.8884 4.8884 4.9268 4.9268 4.9679 4.9679 5.4848 5.4848 5.7001 5.7001 6.4598 6.4598 6.5128 6.5128 6.9968 6.9968 9.0977 9.0977 14.7767 14.7767 14.8413 14.8413 k = 0.0000 0.0000 0.1330 ( 2673 PWs) bands (ev): -18.3758 -18.3758 -17.6141 -17.6141 -17.6104 -17.6104 -17.6029 -17.6029 -2.0981 -2.0981 -0.7891 -0.7891 -0.2311 -0.2311 0.0040 0.0040 0.0078 0.0078 0.2878 0.2878 0.4132 0.4132 0.4196 0.4196 1.3331 1.3331 1.9293 1.9293 1.9675 1.9675 2.3387 2.3387 4.7077 4.7077 4.8193 4.8193 4.8910 4.8910 4.9323 4.9323 4.9696 4.9696 5.4956 5.4956 5.6955 5.6955 6.4474 6.4474 6.5005 6.5005 6.9863 6.9863 9.1487 9.1487 14.8221 14.8221 14.8868 14.8868 k = 0.0000 0.0000 0.1478 ( 2673 PWs) bands (ev): -18.3696 -18.3696 -17.6135 -17.6135 -17.6099 -17.6099 -17.6034 -17.6034 -2.0845 -2.0845 -0.7853 -0.7853 -0.2182 -0.2182 -0.0135 -0.0135 -0.0091 -0.0091 0.2643 0.2643 0.4329 0.4329 0.4395 0.4395 1.2918 1.2918 1.9153 1.9153 1.9531 1.9531 2.3313 2.3313 4.7119 4.7119 4.8286 4.8286 4.8936 4.8936 4.9384 4.9384 4.9720 4.9720 5.5074 5.5074 5.6903 5.6903 6.4340 6.4340 6.4872 6.4872 6.9745 6.9745 9.2052 9.2052 14.8724 14.8724 14.9371 14.9371 k = 0.0000 0.0000 0.1626 ( 2665 PWs) bands (ev): -18.3629 -18.3629 -17.6129 -17.6129 -17.6093 -17.6093 -17.6040 -17.6040 -2.0695 -2.0695 -0.7811 -0.7811 -0.2039 -0.2039 -0.0305 -0.0305 -0.0256 -0.0256 0.2386 0.2386 0.4525 0.4525 0.4591 0.4591 1.2474 1.2474 1.9000 1.9000 1.9374 1.9374 2.3230 2.3230 4.7167 4.7167 4.8385 4.8385 4.8960 4.8960 4.9451 4.9451 4.9750 4.9750 5.5201 5.5201 5.6846 5.6846 6.4196 6.4196 6.4729 6.4729 6.9616 6.9616 9.2669 9.2669 14.9272 14.9272 14.9920 14.9920 k = 0.0000 0.0000 0.1774 ( 2665 PWs) bands (ev): -18.3555 -18.3555 -17.6122 -17.6122 -17.6086 -17.6086 -17.6047 -17.6047 -2.0533 -2.0533 -0.7767 -0.7767 -0.1883 -0.1883 -0.0468 -0.0468 -0.0414 -0.0414 0.2109 0.2109 0.4719 0.4719 0.4784 0.4784 1.2001 1.2001 1.8836 1.8836 1.9205 1.9205 2.3138 2.3138 4.7216 4.7216 4.8490 4.8490 4.8982 4.8982 4.9522 4.9522 4.9787 4.9787 5.5338 5.5338 5.6784 5.6784 6.4044 6.4044 6.4577 6.4577 6.9474 6.9474 9.3336 9.3336 14.9865 14.9865 15.0513 15.0513 k = 0.0000 0.0000 0.1922 ( 2665 PWs) bands (ev): -18.3476 -18.3476 -17.6116 -17.6116 -17.6079 -17.6079 -17.6055 -17.6055 -2.0357 -2.0357 -0.7721 -0.7721 -0.1715 -0.1715 -0.0625 -0.0625 -0.0565 -0.0565 0.1815 0.1815 0.4909 0.4909 0.4972 0.4972 1.1501 1.1501 1.8660 1.8660 1.9023 1.9023 2.3037 2.3037 4.7268 4.7268 4.8598 4.8598 4.9000 4.9000 4.9598 4.9598 4.9832 4.9832 5.5482 5.5482 5.6717 5.6717 6.3884 6.3884 6.4419 6.4419 6.9321 6.9321 9.4051 9.4051 15.0500 15.0500 15.1149 15.1149 k = 0.0000 0.0000 0.2070 ( 2665 PWs) bands (ev): -18.3391 -18.3391 -17.6109 -17.6109 -17.6072 -17.6072 -17.6064 -17.6064 -2.0169 -2.0169 -0.7672 -0.7672 -0.1536 -0.1536 -0.0775 -0.0775 -0.0708 -0.0708 0.1507 0.1507 0.5094 0.5094 0.5154 0.5154 1.0978 1.0978 1.8474 1.8474 1.8831 1.8831 2.2927 2.2927 4.7323 4.7323 4.8710 4.8710 4.9016 4.9016 4.9680 4.9680 4.9885 4.9885 5.5634 5.5634 5.6645 5.6645 6.3718 6.3718 6.4254 6.4254 6.9156 6.9156 9.4812 9.4812 15.1175 15.1175 15.1825 15.1825 k = 0.0000 0.0000 0.2217 ( 2669 PWs) bands (ev): -18.3300 -18.3300 -17.6103 -17.6103 -17.6073 -17.6073 -17.6065 -17.6065 -1.9969 -1.9969 -0.7622 -0.7622 -0.1347 -0.1347 -0.0917 -0.0917 -0.0840 -0.0840 0.1186 0.1186 0.5272 0.5272 0.5329 0.5329 1.0434 1.0434 1.8279 1.8279 1.8629 1.8629 2.2807 2.2807 4.7380 4.7380 4.8825 4.8825 4.9028 4.9028 4.9765 4.9765 4.9946 4.9946 5.5791 5.5791 5.6568 5.6568 6.3547 6.3547 6.4083 6.4083 6.8980 6.8980 9.5617 9.5617 15.1888 15.1888 15.2538 15.2538 k = 0.0000 0.0000 0.2365 ( 2685 PWs) bands (ev): -18.3205 -18.3205 -17.6101 -17.6101 -17.6079 -17.6079 -17.6057 -17.6057 -1.9757 -1.9757 -0.7571 -0.7571 -0.1169 -0.1169 -0.1051 -0.1051 -0.0941 -0.0941 0.0854 0.0854 0.5443 0.5443 0.5497 0.5497 0.9872 0.9872 1.8074 1.8074 1.8418 1.8418 2.2677 2.2677 4.7439 4.7439 4.8941 4.8941 4.9037 4.9037 4.9854 4.9854 5.0014 5.0014 5.5954 5.5954 5.6486 5.6486 6.3372 6.3372 6.3908 6.3908 6.8792 6.8792 9.6463 9.6463 15.2637 15.2637 15.3288 15.3288 k = 0.0000 0.0000 0.2513 ( 2685 PWs) bands (ev): -18.3104 -18.3104 -17.6109 -17.6109 -17.6076 -17.6076 -17.6048 -17.6048 -1.9534 -1.9534 -0.7519 -0.7519 -0.1176 -0.1176 -0.1144 -0.1144 -0.0868 -0.0868 0.0513 0.0513 0.5605 0.5605 0.5656 0.5656 0.9295 0.9295 1.7863 1.7863 1.8198 1.8198 2.2538 2.2538 4.7500 4.7500 4.9046 4.9046 4.9059 4.9059 4.9948 4.9948 5.0090 5.0090 5.6121 5.6121 5.6399 5.6399 6.3195 6.3195 6.3731 6.3731 6.8595 6.8595 9.7349 9.7349 15.3420 15.3420 15.4071 15.4071 k = 0.0000 0.0000 0.2661 ( 2677 PWs) bands (ev): -18.2998 -18.2998 -17.6122 -17.6122 -17.6069 -17.6069 -17.6040 -17.6040 -1.9300 -1.9300 -0.7465 -0.7465 -0.1292 -0.1292 -0.1237 -0.1237 -0.0655 -0.0655 0.0166 0.0166 0.5759 0.5759 0.5805 0.5805 0.8706 0.8706 1.7644 1.7644 1.7972 1.7972 2.2388 2.2388 4.7564 4.7564 4.9054 4.9054 4.9177 4.9177 5.0045 5.0045 5.0171 5.0171 5.6292 5.6292 5.6308 5.6308 6.3018 6.3018 6.3554 6.3554 6.8389 6.8389 9.8272 9.8272 15.4234 15.4234 15.4885 15.4885 k = 0.0000 0.0000 0.2809 ( 2677 PWs) bands (ev): -18.2888 -18.2888 -17.6139 -17.6139 -17.6060 -17.6060 -17.6031 -17.6031 -1.9055 -1.9055 -0.7412 -0.7412 -0.1398 -0.1398 -0.1335 -0.1335 -0.0417 -0.0417 -0.0187 -0.0187 0.5902 0.5902 0.5943 0.5943 0.8106 0.8106 1.7421 1.7421 1.7740 1.7740 2.2228 2.2228 4.7629 4.7629 4.9062 4.9062 4.9296 4.9296 5.0144 5.0144 5.0259 5.0259 5.6212 5.6212 5.6465 5.6465 6.2839 6.2839 6.3374 6.3374 6.8173 6.8173 9.9230 9.9230 15.5077 15.5077 15.5729 15.5729 k = 0.0000 0.0000 0.2957 ( 2677 PWs) bands (ev): -18.2773 -18.2773 -17.6158 -17.6158 -17.6051 -17.6051 -17.6022 -17.6022 -1.8801 -1.8801 -0.7360 -0.7360 -0.1496 -0.1496 -0.1426 -0.1426 -0.0543 -0.0543 -0.0163 -0.0163 0.6034 0.6034 0.6069 0.6069 0.7500 0.7500 1.7194 1.7194 1.7503 1.7503 2.2058 2.2058 4.7696 4.7696 4.9069 4.9069 4.9414 4.9414 5.0247 5.0247 5.0351 5.0351 5.6112 5.6112 5.6640 5.6640 6.2661 6.2661 6.3195 6.3195 6.7948 6.7948 10.0222 10.0222 15.5948 15.5948 15.6599 15.6599 k = 0.0000 0.0000 0.3104 ( 2701 PWs) bands (ev): -18.2653 -18.2653 -17.6179 -17.6179 -17.6042 -17.6042 -17.6013 -17.6013 -1.8537 -1.8537 -0.7309 -0.7309 -0.1584 -0.1584 -0.1509 -0.1509 -0.0899 -0.0899 0.0102 0.0102 0.6154 0.6154 0.6176 0.6176 0.6893 0.6893 1.6963 1.6963 1.7263 1.7263 2.1876 2.1876 4.7764 4.7764 4.9078 4.9078 4.9531 4.9531 5.0349 5.0349 5.0447 5.0447 5.6006 5.6006 5.6815 5.6815 6.2483 6.2483 6.3016 6.3016 6.7715 6.7715 10.1244 10.1244 15.6842 15.6842 15.7494 15.7494 k = 0.0000 0.0000 0.3252 ( 2689 PWs) bands (ev): -18.2530 -18.2530 -17.6203 -17.6203 -17.6032 -17.6032 -17.6003 -17.6003 -1.8264 -1.8264 -0.7259 -0.7259 -0.1665 -0.1665 -0.1582 -0.1582 -0.1253 -0.1253 0.0380 0.0380 0.6167 0.6167 0.6261 0.6261 0.6386 0.6386 1.6732 1.6732 1.7022 1.7022 2.1684 2.1684 4.7834 4.7834 4.9089 4.9089 4.9647 4.9647 5.0456 5.0456 5.0548 5.0548 5.5898 5.5898 5.6991 5.6991 6.2309 6.2309 6.2840 6.2840 6.7476 6.7476 10.2296 10.2296 15.7759 15.7759 15.8094 15.8094 k = 0.0000 0.0000 0.3400 ( 2689 PWs) bands (ev): -18.2403 -18.2403 -17.6229 -17.6229 -17.6021 -17.6021 -17.5994 -17.5994 -1.7983 -1.7983 -0.7211 -0.7211 -0.1753 -0.1753 -0.1644 -0.1644 -0.1587 -0.1587 0.0669 0.0669 0.5622 0.5622 0.6353 0.6353 0.6397 0.6397 1.6502 1.6502 1.6781 1.6781 2.1481 2.1481 4.7906 4.7906 4.9102 4.9102 4.9761 4.9761 5.0564 5.0564 5.0652 5.0652 5.5786 5.5786 5.7166 5.7166 6.2138 6.2138 6.2667 6.2667 6.7229 6.7229 10.3375 10.3375 15.8118 15.8118 15.8698 15.8698 k = 0.0000 0.0000 0.3548 ( 2681 PWs) bands (ev): -18.2272 -18.2272 -17.6257 -17.6257 -17.6011 -17.6011 -17.5984 -17.5984 -1.7694 -1.7694 -0.7165 -0.7165 -0.1995 -0.1995 -0.1754 -0.1754 -0.1697 -0.1697 0.0969 0.0969 0.5009 0.5009 0.6430 0.6430 0.6462 0.6462 1.6274 1.6274 1.6542 1.6542 2.1267 2.1267 4.7979 4.7979 4.9118 4.9118 4.9873 4.9873 5.0673 5.0673 5.0759 5.0759 5.5671 5.5671 5.7339 5.7339 6.1970 6.1970 6.2496 6.2496 6.6977 6.6977 10.4479 10.4479 15.8121 15.8121 15.9653 15.9653 k = 0.0000 0.0000 0.3696 ( 2681 PWs) bands (ev): -18.2138 -18.2138 -17.6288 -17.6288 -17.6001 -17.6001 -17.5974 -17.5974 -1.7398 -1.7398 -0.7122 -0.7122 -0.2332 -0.2332 -0.1809 -0.1809 -0.1738 -0.1738 0.1279 0.1279 0.4394 0.4394 0.6491 0.6491 0.6514 0.6514 1.6050 1.6050 1.6306 1.6306 2.1041 2.1041 4.8054 4.8054 4.9138 4.9138 4.9981 4.9981 5.0783 5.0783 5.0868 5.0868 5.5552 5.5552 5.7510 5.7510 6.1807 6.1807 6.2329 6.2329 6.6720 6.6720 10.5606 10.5606 15.8095 15.8095 16.0623 16.0623 k = 0.0000 0.0000 0.3844 ( 2677 PWs) bands (ev): -18.2000 -18.2000 -17.6322 -17.6322 -17.5990 -17.5990 -17.5965 -17.5965 -1.7096 -1.7096 -0.7083 -0.7083 -0.2671 -0.2671 -0.1845 -0.1845 -0.1769 -0.1769 0.1599 0.1599 0.3781 0.3781 0.6535 0.6535 0.6550 0.6550 1.5831 1.5831 1.6076 1.6076 2.0804 2.0804 4.8131 4.8131 4.9161 4.9161 5.0085 5.0085 5.0892 5.0892 5.0979 5.0979 5.5429 5.5429 5.7678 5.7678 6.1650 6.1650 6.2167 6.2167 6.6459 6.6459 10.6755 10.6755 15.8037 15.8037 16.1606 16.1606 k = 0.0000 0.0000 0.3991 ( 2677 PWs) bands (ev): -18.1860 -18.1860 -17.6359 -17.6359 -17.5980 -17.5980 -17.5955 -17.5955 -1.6787 -1.6787 -0.7048 -0.7048 -0.3005 -0.3005 -0.1869 -0.1869 -0.1789 -0.1789 0.1928 0.1928 0.3173 0.3173 0.6560 0.6560 0.6568 0.6568 1.5620 1.5620 1.5851 1.5851 2.0556 2.0556 4.8209 4.8209 4.9188 4.9188 5.0185 5.0185 5.1002 5.1002 5.1092 5.1092 5.5304 5.5304 5.7843 5.7843 6.1497 6.1497 6.2010 6.2010 6.6194 6.6194 10.7925 10.7925 15.7941 15.7941 16.2601 16.2601 k = 0.0000 0.0000 0.4139 ( 2677 PWs) bands (ev): -18.1718 -18.1718 -17.6399 -17.6399 -17.5969 -17.5969 -17.5945 -17.5945 -1.6474 -1.6474 -0.7017 -0.7017 -0.3330 -0.3330 -0.1880 -0.1880 -0.1798 -0.1798 0.2262 0.2262 0.2578 0.2578 0.6567 0.6567 0.6567 0.6567 1.5417 1.5417 1.5636 1.5636 2.0296 2.0296 4.8289 4.8289 4.9219 4.9219 5.0280 5.0280 5.1110 5.1110 5.1205 5.1205 5.5176 5.5176 5.8004 5.8004 6.1351 6.1351 6.1858 6.1858 6.5927 6.5927 10.9113 10.9113 15.7804 15.7804 16.3604 16.3604 k = 0.0000 0.0000 0.4287 ( 2677 PWs) bands (ev): -18.1573 -18.1573 -17.6442 -17.6442 -17.5959 -17.5959 -17.5936 -17.5936 -1.6156 -1.6156 -0.6992 -0.6992 -0.3645 -0.3645 -0.1880 -0.1880 -0.1795 -0.1795 0.1972 0.1972 0.2623 0.2623 0.6546 0.6546 0.6554 0.6554 1.5225 1.5225 1.5430 1.5430 2.0026 2.0026 4.8370 4.8370 4.9255 4.9255 5.0370 5.0370 5.1217 5.1217 5.1318 5.1318 5.5045 5.5045 5.8161 5.8161 6.1210 6.1210 6.1711 6.1711 6.5659 6.5659 11.0319 11.0319 15.7619 15.7619 16.4612 16.4612 k = 0.0000 0.0000 0.4435 ( 2677 PWs) bands (ev): -18.1425 -18.1425 -17.6489 -17.6489 -17.5949 -17.5949 -17.5927 -17.5927 -1.5833 -1.5833 -0.6972 -0.6972 -0.3949 -0.3949 -0.1869 -0.1869 -0.1782 -0.1782 0.1390 0.1390 0.2978 0.2978 0.6505 0.6505 0.6520 0.6520 1.5044 1.5044 1.5235 1.5235 1.9744 1.9744 4.8453 4.8453 4.9296 4.9296 5.0454 5.0454 5.1322 5.1322 5.1431 5.1431 5.4912 5.4912 5.8314 5.8314 6.1077 6.1077 6.1570 6.1570 6.5390 6.5390 11.1540 11.1540 15.7381 15.7381 16.5625 16.5625 k = 0.0000 0.0000 0.4583 ( 2661 PWs) bands (ev): -18.1276 -18.1276 -17.6538 -17.6538 -17.5939 -17.5939 -17.5917 -17.5917 -1.5508 -1.5508 -0.6959 -0.6959 -0.4241 -0.4241 -0.1846 -0.1846 -0.1757 -0.1757 0.0817 0.0817 0.3344 0.3344 0.6444 0.6444 0.6466 0.6466 1.4875 1.4875 1.5053 1.5053 1.9451 1.9451 4.8538 4.8538 4.9343 4.9343 5.0532 5.0532 5.1426 5.1426 5.1545 5.1545 5.4778 5.4778 5.8462 5.8462 6.0951 6.0951 6.1437 6.1437 6.5122 6.5122 11.2776 11.2776 15.7084 15.7084 16.6639 16.6639 k = 0.0000 0.0000 0.4731 ( 2661 PWs) bands (ev): -18.1126 -18.1126 -17.6592 -17.6592 -17.5929 -17.5929 -17.5908 -17.5908 -1.5179 -1.5179 -0.6952 -0.6952 -0.4519 -0.4519 -0.1812 -0.1812 -0.1722 -0.1722 0.0256 0.0256 0.3717 0.3717 0.6362 0.6362 0.6392 0.6392 1.4720 1.4720 1.4884 1.4884 1.9147 1.9147 4.8624 4.8624 4.9395 4.9395 5.0603 5.0603 5.1525 5.1525 5.1656 5.1656 5.4642 5.4642 5.8605 5.8605 6.0831 6.0831 6.1309 6.1309 6.4854 6.4854 11.4025 11.4025 15.6725 15.6725 16.7651 16.7651 k = 0.0000 0.0000 0.4878 ( 2661 PWs) bands (ev): -18.0975 -18.0975 -17.6649 -17.6649 -17.5919 -17.5919 -17.5900 -17.5900 -1.4849 -1.4849 -0.6952 -0.6952 -0.4782 -0.4782 -0.1767 -0.1767 -0.1676 -0.1676 -0.0291 -0.0291 0.4098 0.4098 0.6262 0.6262 0.6298 0.6298 1.4578 1.4578 1.4729 1.4729 1.8833 1.8833 4.8712 4.8712 4.9452 4.9452 5.0667 5.0667 5.1621 5.1621 5.1766 5.1766 5.4506 5.4506 5.8743 5.8743 6.0719 6.0719 6.1188 6.1188 6.4590 6.4590 11.5285 11.5285 15.6298 15.6298 16.8660 16.8660 k = 0.0000 0.0000 0.5026 ( 2661 PWs) bands (ev): -18.0822 -18.0822 -17.6709 -17.6709 -17.5910 -17.5910 -17.5891 -17.5891 -1.4518 -1.4518 -0.6961 -0.6961 -0.5030 -0.5030 -0.1712 -0.1712 -0.1621 -0.1621 -0.0824 -0.0824 0.4486 0.4486 0.6143 0.6143 0.6185 0.6185 1.4450 1.4450 1.4587 1.4587 1.8508 1.8508 4.8801 4.8801 4.9514 4.9514 5.0723 5.0723 5.1712 5.1712 5.1874 5.1874 5.4369 5.4369 5.8876 5.8876 6.0614 6.0614 6.1073 6.1073 6.4328 6.4328 11.6557 11.6557 15.5800 15.5800 16.9661 16.9661 k = 0.0000 0.0000 0.5174 ( 2673 PWs) bands (ev): -18.0669 -18.0669 -17.6774 -17.6774 -17.5901 -17.5901 -17.5883 -17.5883 -1.4186 -1.4186 -0.6978 -0.6978 -0.5262 -0.5262 -0.1646 -0.1646 -0.1561 -0.1561 -0.1336 -0.1336 0.4878 0.4878 0.6009 0.6009 0.6054 0.6054 1.4336 1.4336 1.4460 1.4460 1.8174 1.8174 4.8891 4.8891 4.9582 4.9582 5.0771 5.0771 5.1796 5.1796 5.1979 5.1979 5.4232 5.4232 5.9003 5.9003 6.0516 6.0516 6.0966 6.0966 6.4071 6.4071 11.7838 11.7838 15.5230 15.5230 17.0653 17.0653 k = 0.0000 0.0000 0.5322 ( 2673 PWs) bands (ev): -18.0515 -18.0515 -17.6842 -17.6842 -17.5892 -17.5892 -17.5875 -17.5875 -1.3854 -1.3854 -0.7004 -0.7004 -0.5477 -0.5477 -0.1851 -0.1851 -0.1571 -0.1571 -0.1471 -0.1471 0.5269 0.5269 0.5866 0.5866 0.5907 0.5907 1.4235 1.4235 1.4347 1.4347 1.7829 1.7829 4.8983 4.8983 4.9656 4.9656 5.0811 5.0811 5.1875 5.1875 5.2082 5.2082 5.4097 5.4097 5.9125 5.9125 6.0425 6.0425 6.0866 6.0866 6.3818 6.3818 11.9127 11.9127 15.4587 15.4587 17.1631 17.1631 k = 0.0000 0.0000 0.5470 ( 2673 PWs) bands (ev): -18.0362 -18.0362 -17.6915 -17.6915 -17.5884 -17.5884 -17.5868 -17.5868 -1.3522 -1.3522 -0.7040 -0.7040 -0.5674 -0.5674 -0.2332 -0.2332 -0.1486 -0.1486 -0.1388 -0.1388 0.5571 0.5571 0.5744 0.5744 0.5805 0.5805 1.4147 1.4147 1.4247 1.4247 1.7475 1.7475 4.9077 4.9077 4.9735 4.9735 5.0842 5.0842 5.1945 5.1945 5.2181 5.2181 5.3965 5.3965 5.9241 5.9241 6.0342 6.0342 6.0775 6.0775 6.3572 6.3572 12.0424 12.0424 15.3873 15.3873 17.2588 17.2588 k = 0.0000 0.0000 0.5618 ( 2665 PWs) bands (ev): -18.0208 -18.0208 -17.6991 -17.6991 -17.5875 -17.5875 -17.5861 -17.5861 -1.3191 -1.3191 -0.7086 -0.7086 -0.5853 -0.5853 -0.2796 -0.2796 -0.1392 -0.1392 -0.1295 -0.1295 0.5474 0.5474 0.5570 0.5570 0.6137 0.6137 1.4071 1.4071 1.4160 1.4160 1.7112 1.7112 4.9172 4.9172 4.9820 4.9820 5.0865 5.0865 5.2006 5.2006 5.2277 5.2277 5.3836 5.3836 5.9352 5.9352 6.0266 6.0266 6.0691 6.0691 6.3334 6.3334 12.1727 12.1727 15.3090 15.3090 17.3507 17.3507 k = 0.0000 0.0000 0.5765 ( 2677 PWs) bands (ev): -18.0055 -18.0055 -17.7071 -17.7071 -17.5868 -17.5868 -17.5855 -17.5855 -1.2862 -1.2862 -0.7144 -0.7144 -0.6014 -0.6014 -0.3240 -0.3240 -0.1291 -0.1291 -0.1195 -0.1195 0.5295 0.5295 0.5385 0.5385 0.6546 0.6546 1.4005 1.4005 1.4084 1.4084 1.6740 1.6740 4.9268 4.9268 4.9909 4.9909 5.0877 5.0877 5.2054 5.2054 5.2369 5.2369 5.3712 5.3712 5.9456 5.9456 6.0197 6.0197 6.0616 6.0616 6.3101 6.3101 12.3035 12.3035 15.2242 15.2242 17.4045 17.4045 k = 0.0000 0.0000 0.5913 ( 2669 PWs) bands (ev): -17.9903 -17.9903 -17.7155 -17.7155 -17.5861 -17.5861 -17.5849 -17.5849 -1.2535 -1.2535 -0.7215 -0.7215 -0.6155 -0.6155 -0.3662 -0.3662 -0.1182 -0.1182 -0.1087 -0.1087 0.5104 0.5104 0.5192 0.5192 0.6966 0.6966 1.3950 1.3950 1.4018 1.4018 1.6360 1.6360 4.9368 4.9368 5.0005 5.0005 5.0882 5.0882 5.2089 5.2089 5.2457 5.2457 5.3597 5.3597 5.9553 5.9553 6.0135 6.0135 6.0553 6.0553 6.2876 6.2876 12.4347 12.4347 15.1333 15.1333 17.3938 17.3938 k = 0.0000 0.0000 0.6061 ( 2669 PWs) bands (ev): -17.9751 -17.9751 -17.7244 -17.7244 -17.5854 -17.5854 -17.5843 -17.5843 -1.2211 -1.2211 -0.7300 -0.7300 -0.6277 -0.6277 -0.4060 -0.4060 -0.1067 -0.1067 -0.0974 -0.0974 0.4907 0.4907 0.4995 0.4995 0.7392 0.7392 1.3903 1.3903 1.3963 1.3963 1.5972 1.5972 4.9465 4.9465 5.0106 5.0106 5.0877 5.0877 5.2107 5.2107 5.2539 5.2539 5.3492 5.3492 5.9642 5.9642 6.0081 6.0081 6.0502 6.0502 6.2660 6.2660 12.5663 12.5663 15.0369 15.0369 17.3834 17.3834 k = 0.0000 0.0000 0.6209 ( 2669 PWs) bands (ev): -17.9601 -17.9601 -17.7336 -17.7336 -17.5848 -17.5848 -17.5838 -17.5838 -1.1889 -1.1889 -0.7401 -0.7401 -0.6379 -0.6379 -0.4433 -0.4433 -0.0948 -0.0948 -0.0858 -0.0858 0.4709 0.4709 0.4796 0.4796 0.7822 0.7822 1.3864 1.3864 1.3915 1.3915 1.5577 1.5577 4.9563 4.9563 5.0211 5.0211 5.0863 5.0863 5.2106 5.2106 5.2617 5.2617 5.3400 5.3400 5.9720 5.9720 6.0032 6.0032 6.0465 6.0465 6.2453 6.2453 12.6980 12.6980 14.9354 14.9354 17.3776 17.3776 k = 0.0000 0.0000 0.6357 ( 2689 PWs) bands (ev): -17.9452 -17.9452 -17.7433 -17.7433 -17.5843 -17.5843 -17.5834 -17.5834 -1.1571 -1.1571 -0.7520 -0.7520 -0.6462 -0.6462 -0.4778 -0.4778 -0.0827 -0.0827 -0.0740 -0.0740 0.4513 0.4513 0.4598 0.4598 0.8255 0.8255 1.3832 1.3832 1.3875 1.3875 1.5176 1.5176 4.9660 4.9660 5.0320 5.0320 5.0840 5.0840 5.2083 5.2083 5.2688 5.2688 5.3322 5.3322 5.9783 5.9783 5.9990 5.9990 6.0447 6.0447 6.2255 6.2255 12.8299 12.8299 14.8295 14.8295 17.3766 17.3766 k = 0.0000 0.0000 0.6505 ( 2685 PWs) bands (ev): -17.9305 -17.9305 -17.7533 -17.7533 -17.5837 -17.5837 -17.5830 -17.5830 -1.1257 -1.1257 -0.7658 -0.7658 -0.6525 -0.6525 -0.5093 -0.5093 -0.0705 -0.0705 -0.0622 -0.0622 0.4324 0.4324 0.4405 0.4405 0.8692 0.8692 1.3806 1.3806 1.3842 1.3842 1.4768 1.4768 4.9757 4.9757 5.0435 5.0435 5.0810 5.0810 5.2039 5.2039 5.2754 5.2754 5.3259 5.3259 5.9831 5.9831 5.9955 5.9955 6.0452 6.0452 6.2067 6.2067 12.9617 12.9617 14.7195 14.7195 17.3802 17.3802 k = 0.0000 0.0000 0.6652 ( 2677 PWs) bands (ev): -17.9160 -17.9160 -17.7637 -17.7637 -17.5833 -17.5833 -17.5826 -17.5826 -1.0946 -1.0946 -0.7816 -0.7816 -0.6568 -0.6568 -0.5376 -0.5376 -0.0586 -0.0586 -0.0509 -0.0509 0.4146 0.4146 0.4222 0.4222 0.9130 0.9130 1.3786 1.3786 1.3813 1.3813 1.4355 1.4355 4.9854 4.9854 5.0553 5.0553 5.0771 5.0771 5.1974 5.1974 5.2815 5.2815 5.3212 5.3212 5.9861 5.9861 5.9926 5.9926 6.0481 6.0481 6.1888 6.1888 13.0934 13.0934 14.6061 14.6061 17.3880 17.3880 k = 0.0000 0.0000 0.6800 ( 2678 PWs) bands (ev): -17.9017 -17.9017 -17.7745 -17.7745 -17.5829 -17.5829 -17.5823 -17.5823 -1.0639 -1.0639 -0.7997 -0.7997 -0.6592 -0.6592 -0.5625 -0.5625 -0.0472 -0.0472 -0.0403 -0.0403 0.3984 0.3984 0.4053 0.4053 0.9571 0.9571 1.3770 1.3770 1.3782 1.3782 1.3946 1.3946 4.9949 4.9949 5.0675 5.0675 5.0724 5.0724 5.1890 5.1890 5.2870 5.2870 5.3176 5.3176 5.9875 5.9875 5.9902 5.9902 6.0532 6.0532 6.1719 6.1719 13.2248 13.2248 14.4895 14.4895 17.3997 17.3997 k = 0.0000 0.0000 0.6948 ( 2678 PWs) bands (ev): -17.8876 -17.8876 -17.7857 -17.7857 -17.5826 -17.5826 -17.5821 -17.5821 -1.0336 -1.0336 -0.8199 -0.8199 -0.6596 -0.6596 -0.5842 -0.5842 -0.0368 -0.0368 -0.0309 -0.0309 0.3843 0.3843 0.3902 0.3902 1.0012 1.0012 1.3500 1.3500 1.3758 1.3758 1.3785 1.3785 5.0043 5.0043 5.0670 5.0670 5.0800 5.0800 5.1791 5.1791 5.2919 5.2919 5.3148 5.3148 5.9878 5.9878 5.9884 5.9884 6.0603 6.0603 6.1559 6.1559 13.3559 13.3559 14.3703 14.3703 17.4151 17.4151 k = 0.0000 0.0000 0.7096 ( 2678 PWs) bands (ev): -17.8738 -17.8738 -17.7973 -17.7973 -17.5823 -17.5823 -17.5819 -17.5819 -1.0039 -1.0039 -0.8422 -0.8422 -0.6581 -0.6581 -0.6027 -0.6027 -0.0278 -0.0278 -0.0231 -0.0231 0.3727 0.3727 0.3775 0.3775 1.0453 1.0453 1.3076 1.3076 1.3750 1.3750 1.3767 1.3767 5.0135 5.0135 5.0609 5.0609 5.0927 5.0927 5.1681 5.1681 5.2962 5.2962 5.3125 5.3125 5.9871 5.9871 5.9875 5.9875 6.0688 6.0688 6.1408 6.1408 13.4864 13.4864 14.2488 14.2488 17.4340 17.4341 k = 0.0000 0.0000 0.7244 ( 2682 PWs) bands (ev): -17.8603 -17.8603 -17.8092 -17.8092 -17.5821 -17.5821 -17.5819 -17.5819 -0.9747 -0.9747 -0.8662 -0.8662 -0.6545 -0.6545 -0.6181 -0.6181 -0.0207 -0.0207 -0.0174 -0.0174 0.3643 0.3643 0.3676 0.3676 1.0894 1.0894 1.2645 1.2645 1.3745 1.3745 1.3756 1.3756 5.0224 5.0224 5.0541 5.0541 5.1055 5.1055 5.1563 5.1563 5.2999 5.2999 5.3104 5.3104 5.9863 5.9863 5.9869 5.9869 6.0785 6.0785 6.1266 6.1266 13.6163 13.6163 14.1252 14.1252 17.4562 17.4563 k = 0.0000 0.0000 0.7392 ( 2674 PWs) bands (ev): -17.8470 -17.8470 -17.8215 -17.8215 -17.5819 -17.5819 -17.5818 -17.5818 -0.9462 -0.9462 -0.8917 -0.8917 -0.6488 -0.6488 -0.6308 -0.6308 -0.0158 -0.0158 -0.0141 -0.0141 0.3594 0.3594 0.3611 0.3611 1.1335 1.1335 1.2211 1.2211 1.3743 1.3743 1.3748 1.3748 5.0310 5.0310 5.0468 5.0468 5.1184 5.1184 5.1440 5.1440 5.3032 5.3032 5.3083 5.3083 5.9860 5.9860 5.9864 5.9864 6.0892 6.0892 6.1133 6.1133 13.7453 13.7453 14.0000 14.0000 17.4816 17.4816 k = 0.0000 0.0000 0.7539 ( 2678 PWs) bands (ev): -17.8341 -17.8341 -17.8341 -17.8341 -17.5818 -17.5818 -17.5818 -17.5818 -0.9185 -0.9185 -0.9185 -0.9185 -0.6410 -0.6410 -0.6410 -0.6410 -0.0136 -0.0136 -0.0136 -0.0136 0.3583 0.3583 0.3583 0.3583 1.1774 1.1774 1.1774 1.1774 1.3744 1.3744 1.3744 1.3744 5.0392 5.0392 5.0392 5.0392 5.1313 5.1313 5.1313 5.1313 5.3059 5.3059 5.3059 5.3059 5.9860 5.9860 5.9860 5.9860 6.1008 6.1008 6.1008 6.1008 13.8733 13.8733 13.8733 13.8733 17.5098 17.5098 k = 0.0000 0.0000 0.7539 ( 2678 PWs) bands (ev): -17.8341 -17.8341 -17.8341 -17.8341 -17.5818 -17.5818 -17.5818 -17.5818 -0.9185 -0.9185 -0.9185 -0.9185 -0.6410 -0.6410 -0.6410 -0.6410 -0.0136 -0.0136 -0.0136 -0.0136 0.3583 0.3583 0.3583 0.3583 1.1774 1.1774 1.1774 1.1774 1.3744 1.3744 1.3744 1.3744 5.0392 5.0392 5.0392 5.0392 5.1313 5.1313 5.1313 5.1313 5.3059 5.3059 5.3059 5.3059 5.9860 5.9860 5.9860 5.9860 6.1008 6.1008 6.1008 6.1008 13.8733 13.8733 13.8733 13.8733 17.5098 17.5098 k = 0.0000 0.0147 0.7539 ( 2666 PWs) bands (ev): -17.8340 -17.8340 -17.8339 -17.8339 -17.5820 -17.5820 -17.5819 -17.5819 -0.9187 -0.9187 -0.9185 -0.9185 -0.6417 -0.6417 -0.6417 -0.6417 -0.0138 -0.0138 -0.0124 -0.0124 0.3574 0.3574 0.3586 0.3586 1.1774 1.1774 1.1791 1.1791 1.3745 1.3745 1.3747 1.3747 5.0388 5.0388 5.0393 5.0393 5.1251 5.1251 5.1360 5.1360 5.3009 5.3009 5.3119 5.3119 5.9745 5.9745 5.9854 5.9854 6.1018 6.1018 6.1132 6.1132 13.8738 13.8738 13.8745 13.8745 17.5038 17.5040 k = 0.0000 0.0294 0.7539 ( 2666 PWs) bands (ev): -17.8338 -17.8338 -17.8336 -17.8336 -17.5823 -17.5823 -17.5822 -17.5822 -0.9191 -0.9191 -0.9187 -0.9187 -0.6438 -0.6438 -0.6438 -0.6438 -0.0131 -0.0131 -0.0104 -0.0104 0.3558 0.3558 0.3581 0.3581 1.1791 1.1791 1.1824 1.1824 1.3748 1.3748 1.3752 1.3752 5.0382 5.0382 5.0392 5.0392 5.1177 5.1177 5.1390 5.1390 5.2970 5.2970 5.3185 5.3185 5.9558 5.9558 5.9730 5.9730 6.1157 6.1157 6.1337 6.1337 13.8762 13.8762 13.8775 13.8775 17.4860 17.4866 k = 0.0000 0.0441 0.7539 ( 2670 PWs) bands (ev): -17.8334 -17.8334 -17.8330 -17.8330 -17.5828 -17.5828 -17.5827 -17.5827 -0.9199 -0.9199 -0.9192 -0.9192 -0.6473 -0.6473 -0.6472 -0.6472 -0.0116 -0.0116 -0.0076 -0.0076 0.3535 0.3535 0.3569 0.3569 1.1825 1.1825 1.1874 1.1874 1.3755 1.3755 1.3761 1.3761 5.0371 5.0371 5.0388 5.0388 5.1091 5.1091 5.1403 5.1403 5.2943 5.2943 5.3256 5.3256 5.9340 5.9340 5.9541 5.9541 6.1371 6.1371 6.1585 6.1585 13.8804 13.8804 13.8823 13.8823 17.4570 17.4587 k = 0.0000 0.0588 0.7539 ( 2674 PWs) bands (ev): -17.8327 -17.8327 -17.8323 -17.8323 -17.5834 -17.5834 -17.5833 -17.5833 -0.9209 -0.9209 -0.9201 -0.9201 -0.6519 -0.6519 -0.6517 -0.6517 -0.0092 -0.0092 -0.0041 -0.0041 0.3506 0.3506 0.3551 0.3551 1.1873 1.1873 1.1938 1.1938 1.3766 1.3766 1.3773 1.3773 5.0355 5.0355 5.0380 5.0380 5.0997 5.0997 5.1398 5.1398 5.2931 5.2931 5.3330 5.3330 5.9110 5.9110 5.9325 5.9325 6.1623 6.1623 6.1854 6.1854 13.8864 13.8864 13.8889 13.8889 17.4183 17.4183 k = 0.0000 0.0735 0.7539 ( 2674 PWs) bands (ev): -17.8319 -17.8319 -17.8314 -17.8314 -17.5843 -17.5843 -17.5841 -17.5841 -0.9225 -0.9225 -0.9213 -0.9213 -0.6575 -0.6575 -0.6571 -0.6571 -0.0062 -0.0062 0.0000 0.0000 0.3470 0.3470 0.3528 0.3528 1.1935 1.1935 1.2014 1.2014 1.3783 1.3783 1.3791 1.3791 5.0333 5.0333 5.0369 5.0369 5.0897 5.0897 5.1378 5.1378 5.2931 5.2931 5.3405 5.3405 5.8878 5.8878 5.9099 5.9099 6.1896 6.1896 6.2137 6.2137 13.8943 13.8943 13.8973 13.8973 17.3710 17.3711 k = 0.0000 0.0882 0.7539 ( 2674 PWs) bands (ev): -17.8309 -17.8309 -17.8303 -17.8303 -17.5854 -17.5854 -17.5852 -17.5852 -0.9245 -0.9245 -0.9231 -0.9231 -0.6637 -0.6637 -0.6630 -0.6630 -0.0027 -0.0027 0.0045 0.0045 0.3429 0.3429 0.3498 0.3498 1.2007 1.2007 1.2100 1.2100 1.3808 1.3808 1.3817 1.3817 5.0305 5.0305 5.0352 5.0352 5.0795 5.0795 5.1345 5.1345 5.2944 5.2944 5.3480 5.3480 5.8648 5.8648 5.8871 5.8871 6.2181 6.2181 6.2428 6.2428 13.9040 13.9040 13.9076 13.9076 17.3163 17.3165 k = 0.0000 0.1029 0.7539 ( 2682 PWs) bands (ev): -17.8297 -17.8297 -17.8290 -17.8290 -17.5866 -17.5866 -17.5864 -17.5864 -0.9272 -0.9272 -0.9255 -0.9255 -0.6702 -0.6702 -0.6692 -0.6692 0.0012 0.0012 0.0092 0.0092 0.3382 0.3382 0.3464 0.3464 1.2087 1.2087 1.2192 1.2192 1.3843 1.3843 1.3851 1.3851 5.0267 5.0267 5.0324 5.0324 5.0697 5.0697 5.1304 5.1304 5.2965 5.2965 5.3554 5.3554 5.8421 5.8421 5.8646 5.8646 6.2472 6.2472 6.2723 6.2723 13.9155 13.9155 13.9197 13.9197 17.2551 17.2552 k = 0.0000 0.1176 0.7539 ( 2682 PWs) bands (ev): -17.8283 -17.8283 -17.8275 -17.8275 -17.5880 -17.5880 -17.5878 -17.5878 -0.9307 -0.9307 -0.9287 -0.9287 -0.6767 -0.6767 -0.6754 -0.6754 0.0053 0.0053 0.0139 0.0139 0.3331 0.3331 0.3425 0.3425 1.2170 1.2170 1.2285 1.2285 1.3891 1.3891 1.3897 1.3897 5.0219 5.0219 5.0277 5.0277 5.0612 5.0612 5.1259 5.1259 5.2995 5.2995 5.3627 5.3627 5.8201 5.8201 5.8426 5.8426 6.2769 6.2769 6.3022 6.3022 13.9289 13.9289 13.9337 13.9337 17.1883 17.1883 k = 0.0000 0.1324 0.7539 ( 2678 PWs) bands (ev): -17.8268 -17.8268 -17.8259 -17.8259 -17.5896 -17.5896 -17.5893 -17.5893 -0.9352 -0.9352 -0.9328 -0.9328 -0.6829 -0.6829 -0.6811 -0.6811 0.0094 0.0094 0.0186 0.0186 0.3277 0.3277 0.3384 0.3384 1.2253 1.2253 1.2376 1.2376 1.3955 1.3955 1.3957 1.3957 5.0160 5.0160 5.0204 5.0204 5.0548 5.0548 5.1214 5.1214 5.3030 5.3030 5.3698 5.3698 5.7987 5.7987 5.8212 5.8212 6.3067 6.3067 6.3322 6.3322 13.9442 13.9442 13.9496 13.9496 17.1166 17.1167 k = 0.0000 0.1471 0.7539 ( 2674 PWs) bands (ev): -17.8251 -17.8251 -17.8241 -17.8241 -17.5913 -17.5913 -17.5910 -17.5910 -0.9406 -0.9406 -0.9380 -0.9380 -0.6884 -0.6884 -0.6862 -0.6862 0.0134 0.0134 0.0230 0.0230 0.3219 0.3219 0.3340 0.3340 1.2332 1.2332 1.2459 1.2459 1.4035 1.4035 1.4039 1.4039 5.0089 5.0089 5.0104 5.0104 5.0507 5.0507 5.1171 5.1171 5.3068 5.3068 5.3766 5.3766 5.7781 5.7781 5.8005 5.8005 6.3366 6.3366 6.3623 6.3623 13.9614 13.9614 13.9674 13.9674 17.0409 17.0409 k = 0.0000 0.1618 0.7539 ( 2678 PWs) bands (ev): -17.8232 -17.8232 -17.8221 -17.8221 -17.5932 -17.5932 -17.5929 -17.5929 -0.9472 -0.9472 -0.9442 -0.9442 -0.6930 -0.6930 -0.6903 -0.6903 0.0172 0.0172 0.0270 0.0270 0.3161 0.3161 0.3295 0.3295 1.2402 1.2402 1.2530 1.2530 1.4132 1.4132 1.4146 1.4146 4.9985 4.9985 5.0005 5.0005 5.0480 5.0480 5.1133 5.1133 5.3108 5.3108 5.3830 5.3830 5.7581 5.7581 5.7806 5.7806 6.3665 6.3665 6.3922 6.3922 13.9805 13.9805 13.9871 13.9871 16.9618 16.9618 k = 0.0000 0.1765 0.7539 ( 2682 PWs) bands (ev): -17.8212 -17.8212 -17.8200 -17.8200 -17.5952 -17.5952 -17.5949 -17.5949 -0.9549 -0.9549 -0.9516 -0.9516 -0.6965 -0.6965 -0.6934 -0.6934 0.0205 0.0205 0.0304 0.0304 0.3101 0.3101 0.3249 0.3249 1.2462 1.2462 1.2588 1.2588 1.4250 1.4250 1.4275 1.4275 4.9855 4.9855 4.9910 4.9910 5.0463 5.0463 5.1100 5.1100 5.3148 5.3148 5.3892 5.3892 5.7390 5.7390 5.7615 5.7615 6.3961 6.3961 6.4218 6.4218 14.0016 14.0016 14.0087 14.0087 16.8798 16.8798 k = 0.0000 0.1912 0.7539 ( 2686 PWs) bands (ev): -17.8191 -17.8191 -17.8177 -17.8177 -17.5974 -17.5974 -17.5971 -17.5971 -0.9636 -0.9636 -0.9602 -0.9602 -0.6987 -0.6987 -0.6953 -0.6953 0.0233 0.0233 0.0332 0.0332 0.3042 0.3042 0.3204 0.3204 1.2509 1.2509 1.2631 1.2631 1.4389 1.4389 1.4426 1.4426 4.9717 4.9717 4.9804 4.9804 5.0450 5.0450 5.1074 5.1074 5.3189 5.3189 5.3950 5.3950 5.7207 5.7207 5.7433 5.7433 6.4255 6.4255 6.4511 6.4511 14.0247 14.0247 14.0324 14.0324 16.7955 16.7955 k = 0.0000 0.2059 0.7539 ( 2688 PWs) bands (ev): -17.8168 -17.8168 -17.8154 -17.8154 -17.5997 -17.5997 -17.5993 -17.5993 -0.9733 -0.9733 -0.9697 -0.9697 -0.6997 -0.6997 -0.6959 -0.6959 0.0254 0.0254 0.0352 0.0352 0.2984 0.2984 0.3160 0.3160 1.2544 1.2544 1.2660 1.2660 1.4546 1.4546 1.4597 1.4597 4.9576 4.9576 4.9689 4.9689 5.0441 5.0441 5.1053 5.1053 5.3228 5.3228 5.4004 5.4004 5.7033 5.7033 5.7260 5.7260 6.4544 6.4544 6.4800 6.4800 14.0499 14.0499 14.0580 14.0580 16.7093 16.7093 k = 0.0000 0.2206 0.7539 ( 2684 PWs) bands (ev): -17.8144 -17.8144 -17.8129 -17.8129 -17.6021 -17.6021 -17.6017 -17.6017 -0.9839 -0.9839 -0.9801 -0.9801 -0.6995 -0.6995 -0.6954 -0.6954 0.0268 0.0268 0.0364 0.0364 0.2929 0.2929 0.3119 0.3119 1.2567 1.2567 1.2677 1.2677 1.4720 1.4720 1.4784 1.4784 4.9433 4.9433 4.9569 4.9569 5.0434 5.0434 5.1037 5.1037 5.3266 5.3266 5.4055 5.4055 5.6867 5.6867 5.7096 5.7096 6.4828 6.4828 6.5083 6.5083 14.0770 14.0770 14.0857 14.0857 16.6218 16.6218 k = 0.0000 0.2353 0.7539 ( 2680 PWs) bands (ev): -17.8119 -17.8119 -17.8103 -17.8103 -17.6046 -17.6046 -17.6042 -17.6042 -0.9950 -0.9950 -0.9912 -0.9912 -0.6980 -0.6980 -0.6937 -0.6937 0.0274 0.0274 0.0367 0.0367 0.2877 0.2877 0.3081 0.3081 1.2580 1.2580 1.2685 1.2685 1.4907 1.4907 1.4983 1.4983 4.9289 4.9289 4.9443 4.9443 5.0428 5.0428 5.1025 5.1025 5.3302 5.3302 5.4102 5.4102 5.6710 5.6710 5.6942 5.6942 6.5106 6.5106 6.5359 6.5359 14.1063 14.1063 14.1154 14.1154 16.5332 16.5332 k = 0.0000 0.2500 0.7539 ( 2688 PWs) bands (ev): -17.8094 -17.8094 -17.8076 -17.8076 -17.6072 -17.6072 -17.6068 -17.6068 -1.0067 -1.0067 -1.0028 -1.0028 -0.6956 -0.6956 -0.6911 -0.6911 0.0271 0.0271 0.0361 0.0361 0.2830 0.2830 0.3046 0.3046 1.2584 1.2584 1.2684 1.2684 1.5103 1.5103 1.5191 1.5191 4.9145 4.9145 4.9315 4.9315 5.0423 5.0423 5.1015 5.1015 5.3336 5.3336 5.4145 5.4145 5.6562 5.6562 5.6796 5.6796 6.5375 6.5375 6.5628 6.5628 14.1376 14.1376 14.1472 14.1472 16.4439 16.4439 k = 0.0000 0.2647 0.7539 ( 2688 PWs) bands (ev): -17.8067 -17.8067 -17.8049 -17.8049 -17.6098 -17.6098 -17.6094 -17.6094 -1.0186 -1.0186 -1.0148 -1.0148 -0.6922 -0.6922 -0.6875 -0.6875 0.0258 0.0258 0.0346 0.0346 0.2788 0.2788 0.3017 0.3017 1.2582 1.2582 1.2677 1.2677 1.5306 1.5306 1.5404 1.5404 4.9002 4.9002 4.9185 4.9185 5.0419 5.0419 5.1009 5.1009 5.3367 5.3367 5.4184 5.4184 5.6423 5.6423 5.6660 5.6660 6.5636 6.5636 6.5887 6.5887 14.1710 14.1710 14.1811 14.1811 16.3543 16.3543 k = 0.0000 0.2794 0.7539 ( 2688 PWs) bands (ev): -17.8040 -17.8040 -17.8021 -17.8021 -17.6125 -17.6125 -17.6121 -17.6121 -1.0306 -1.0306 -1.0268 -1.0268 -0.6880 -0.6880 -0.6832 -0.6832 0.0237 0.0237 0.0323 0.0323 0.2751 0.2751 0.2992 0.2992 1.2574 1.2574 1.2665 1.2665 1.5512 1.5512 1.5619 1.5619 4.8863 4.8863 4.9056 4.9056 5.0415 5.0415 5.1005 5.1005 5.3396 5.3396 5.4218 5.4218 5.6293 5.6293 5.6535 5.6535 6.5887 6.5887 6.6137 6.6137 14.2066 14.2066 14.2171 14.2171 16.2646 16.2646 k = 0.0000 0.2941 0.7539 ( 2684 PWs) bands (ev): -17.8013 -17.8013 -17.7992 -17.7992 -17.6152 -17.6152 -17.6149 -17.6149 -1.0426 -1.0426 -1.0388 -1.0388 -0.6832 -0.6832 -0.6783 -0.6783 0.0208 0.0208 0.0291 0.0291 0.2721 0.2721 0.2971 0.2971 1.2562 1.2562 1.2649 1.2649 1.5719 1.5719 1.5834 1.5834 4.8727 4.8727 4.8928 4.8928 5.0411 5.0411 5.1003 5.1003 5.3422 5.3422 5.4249 5.4249 5.6172 5.6172 5.6419 5.6419 6.6128 6.6128 6.6376 6.6376 14.2443 14.2443 14.2552 14.2552 16.1752 16.1752 k = 0.0000 0.3088 0.7539 ( 2684 PWs) bands (ev): -17.7986 -17.7986 -17.7964 -17.7964 -17.6180 -17.6180 -17.6176 -17.6176 -1.0543 -1.0543 -1.0506 -1.0506 -0.6779 -0.6779 -0.6730 -0.6730 0.0171 0.0171 0.0252 0.0252 0.2695 0.2695 0.2955 0.2955 1.2548 1.2548 1.2632 1.2632 1.5923 1.5923 1.6045 1.6045 4.8595 4.8595 4.8803 4.8803 5.0408 5.0408 5.1001 5.1001 5.3445 5.3445 5.4276 5.4276 5.6060 5.6060 5.6312 5.6312 6.6357 6.6357 6.6603 6.6603 14.2841 14.2841 14.2955 14.2955 16.0861 16.0861 k = 0.0000 0.3235 0.7539 ( 2682 PWs) bands (ev): -17.7958 -17.7958 -17.7936 -17.7936 -17.6207 -17.6207 -17.6204 -17.6204 -1.0656 -1.0656 -1.0619 -1.0619 -0.6723 -0.6723 -0.6673 -0.6673 0.0127 0.0127 0.0208 0.0208 0.2676 0.2676 0.2944 0.2944 1.2531 1.2531 1.2612 1.2612 1.6122 1.6122 1.6251 1.6251 4.8468 4.8468 4.8682 4.8682 5.0406 5.0406 5.1001 5.1001 5.3466 5.3466 5.4299 5.4299 5.5957 5.5957 5.6216 5.6216 6.6573 6.6573 6.6818 6.6818 14.3262 14.3262 14.3379 14.3379 15.9978 15.9978 k = 0.0000 0.3382 0.7539 ( 2682 PWs) bands (ev): -17.7932 -17.7932 -17.7908 -17.7908 -17.6234 -17.6234 -17.6231 -17.6231 -1.0764 -1.0764 -1.0728 -1.0728 -0.6664 -0.6664 -0.6615 -0.6615 0.0079 0.0079 0.0159 0.0159 0.2661 0.2661 0.2936 0.2936 1.2513 1.2513 1.2592 1.2592 1.6314 1.6314 1.6448 1.6448 4.8347 4.8347 4.8566 4.8566 5.0403 5.0403 5.1001 5.1001 5.3484 5.3484 5.4318 5.4318 5.5864 5.5864 5.6129 5.6129 6.6775 6.6775 6.7019 6.7019 14.3703 14.3703 14.3823 14.3823 15.9103 15.9103 k = 0.0000 0.3529 0.7539 ( 2690 PWs) bands (ev): -17.7906 -17.7906 -17.7881 -17.7881 -17.6260 -17.6260 -17.6257 -17.6257 -1.0866 -1.0866 -1.0831 -1.0831 -0.6605 -0.6605 -0.6556 -0.6556 0.0026 0.0026 0.0106 0.0106 0.2650 0.2650 0.2931 0.2931 1.2494 1.2494 1.2571 1.2571 1.6497 1.6497 1.6636 1.6636 4.8233 4.8233 4.8456 4.8456 5.0400 5.0400 5.1002 5.1002 5.3499 5.3499 5.4333 5.4333 5.5779 5.5779 5.6051 5.6051 6.6963 6.6963 6.7205 6.7205 14.4166 14.4166 14.4289 14.4289 15.8239 15.8239 k = 0.0000 0.3676 0.7539 ( 2688 PWs) bands (ev): -17.7880 -17.7880 -17.7855 -17.7855 -17.6285 -17.6285 -17.6283 -17.6283 -1.0961 -1.0961 -1.0927 -1.0927 -0.6546 -0.6546 -0.6497 -0.6497 -0.0028 -0.0028 0.0053 0.0053 0.2643 0.2643 0.2929 0.2929 1.2476 1.2476 1.2551 1.2551 1.6669 1.6669 1.6812 1.6812 4.8127 4.8127 4.8354 4.8354 5.0398 5.0398 5.1003 5.1003 5.3512 5.3512 5.4345 5.4345 5.5703 5.5703 5.5982 5.5982 6.7136 6.7136 6.7377 6.7377 14.4650 14.4650 14.4776 14.4776 15.7387 15.7387 k = 0.0000 0.3824 0.7539 ( 2690 PWs) bands (ev): -17.7857 -17.7857 -17.7830 -17.7830 -17.6309 -17.6309 -17.6307 -17.6307 -1.1047 -1.1047 -1.1014 -1.1014 -0.6490 -0.6490 -0.6441 -0.6441 -0.0082 -0.0082 -0.0001 -0.0001 0.2639 0.2639 0.2929 0.2929 1.2458 1.2458 1.2532 1.2532 1.6827 1.6827 1.6974 1.6974 4.8030 4.8030 4.8260 4.8260 5.0396 5.0396 5.1004 5.1004 5.3522 5.3522 5.4354 5.4354 5.5636 5.5636 5.5923 5.5923 6.7293 6.7293 6.7532 6.7532 14.5154 14.5154 14.5282 14.5282 15.6550 15.6550 k = 0.0000 0.3971 0.7539 ( 2696 PWs) bands (ev): -17.7834 -17.7834 -17.7807 -17.7807 -17.6331 -17.6331 -17.6329 -17.6329 -1.1126 -1.1126 -1.1093 -1.1093 -0.6436 -0.6436 -0.6387 -0.6387 -0.0135 -0.0135 -0.0052 -0.0052 0.2637 0.2637 0.2930 0.2930 1.2442 1.2442 1.2514 1.2514 1.6971 1.6971 1.7120 1.7120 4.7942 4.7942 4.8174 4.8174 5.0394 5.0394 5.1004 5.1004 5.3531 5.3531 5.4360 5.4360 5.5578 5.5578 5.5872 5.5872 6.7432 6.7432 6.7670 6.7670 14.5677 14.5677 14.5806 14.5806 15.5731 15.5731 k = 0.0000 0.4118 0.7539 ( 2696 PWs) bands (ev): -17.7814 -17.7814 -17.7786 -17.7786 -17.6351 -17.6351 -17.6350 -17.6350 -1.1195 -1.1195 -1.1162 -1.1162 -0.6386 -0.6386 -0.6338 -0.6338 -0.0185 -0.0185 -0.0101 -0.0101 0.2636 0.2636 0.2932 0.2932 1.2426 1.2426 1.2498 1.2498 1.7099 1.7099 1.7251 1.7251 4.7864 4.7864 4.8099 4.8099 5.0392 5.0392 5.1005 5.1005 5.3538 5.3538 5.4365 5.4365 5.5528 5.5528 5.5829 5.5829 6.7555 6.7555 6.7792 6.7792 14.6217 14.6217 14.6348 14.6348 15.4931 15.4931 k = 0.0000 0.4265 0.7539 ( 2692 PWs) bands (ev): -17.7796 -17.7796 -17.7768 -17.7768 -17.6369 -17.6369 -17.6368 -17.6368 -1.1254 -1.1254 -1.1222 -1.1222 -0.6342 -0.6342 -0.6295 -0.6295 -0.0229 -0.0229 -0.0144 -0.0144 0.2637 0.2637 0.2935 0.2935 1.2413 1.2413 1.2484 1.2484 1.7209 1.7209 1.7363 1.7363 4.7797 4.7797 4.8033 4.8033 5.0391 5.0391 5.1007 5.1007 5.3543 5.3543 5.4368 5.4368 5.5486 5.5486 5.5794 5.5794 6.7660 6.7660 6.7896 6.7896 14.6772 14.6772 14.6903 14.6903 15.4155 15.4155 k = 0.0000 0.4412 0.7539 ( 2688 PWs) bands (ev): -17.7781 -17.7781 -17.7752 -17.7752 -17.6384 -17.6384 -17.6383 -17.6383 -1.1302 -1.1302 -1.1271 -1.1271 -0.6305 -0.6305 -0.6257 -0.6257 -0.0268 -0.0268 -0.0182 -0.0182 0.2638 0.2638 0.2937 0.2937 1.2402 1.2402 1.2472 1.2472 1.7301 1.7301 1.7456 1.7456 4.7742 4.7742 4.7979 4.7979 5.0390 5.0390 5.1008 5.1008 5.3548 5.3548 5.4369 5.4369 5.5452 5.5452 5.5766 5.5766 6.7746 6.7746 6.7981 6.7981 14.7336 14.7336 14.7465 14.7465 15.3410 15.3410 k = 0.0000 0.4559 0.7539 ( 2688 PWs) bands (ev): -17.7769 -17.7769 -17.7739 -17.7739 -17.6396 -17.6396 -17.6396 -17.6396 -1.1341 -1.1341 -1.1310 -1.1310 -0.6274 -0.6274 -0.6228 -0.6228 -0.0300 -0.0300 -0.0212 -0.0212 0.2639 0.2639 0.2940 0.2940 1.2392 1.2392 1.2463 1.2463 1.7373 1.7373 1.7530 1.7530 4.7698 4.7698 4.7936 4.7936 5.0389 5.0389 5.1008 5.1008 5.3550 5.3550 5.4370 5.4370 5.5426 5.5426 5.5744 5.5744 6.7814 6.7814 6.8048 6.8048 14.7897 14.7897 14.8023 14.8023 15.2707 15.2707 k = 0.0000 0.4706 0.7539 ( 2692 PWs) bands (ev): -17.7760 -17.7760 -17.7730 -17.7730 -17.6405 -17.6405 -17.6405 -17.6405 -1.1368 -1.1368 -1.1338 -1.1338 -0.6252 -0.6252 -0.6206 -0.6206 -0.0323 -0.0323 -0.0235 -0.0235 0.2641 0.2641 0.2942 0.2942 1.2386 1.2386 1.2456 1.2456 1.7425 1.7425 1.7583 1.7583 4.7666 4.7666 4.7905 4.7905 5.0389 5.0389 5.1009 5.1009 5.3552 5.3552 5.4370 5.4370 5.5408 5.5408 5.5729 5.5729 6.7862 6.7862 6.8096 6.8096 14.8429 14.8429 14.8550 14.8550 15.2073 15.2073 k = 0.0000 0.4853 0.7539 ( 2692 PWs) bands (ev): -17.7755 -17.7755 -17.7724 -17.7724 -17.6411 -17.6411 -17.6411 -17.6411 -1.1385 -1.1385 -1.1354 -1.1354 -0.6239 -0.6239 -0.6192 -0.6192 -0.0337 -0.0337 -0.0249 -0.0249 0.2641 0.2641 0.2943 0.2943 1.2382 1.2382 1.2451 1.2451 1.7456 1.7456 1.7615 1.7615 4.7647 4.7647 4.7887 4.7887 5.0388 5.0388 5.1009 5.1009 5.3553 5.3553 5.4370 5.4370 5.5397 5.5397 5.5720 5.5720 6.7891 6.7891 6.8125 6.8125 14.8865 14.8865 14.8976 14.8976 15.1576 15.1576 k = 0.0000 0.5000 0.7539 ( 2688 PWs) bands (ev): -17.7753 -17.7753 -17.7722 -17.7722 -17.6412 -17.6412 -17.6412 -17.6412 -1.1390 -1.1390 -1.1360 -1.1360 -0.6234 -0.6234 -0.6188 -0.6188 -0.0342 -0.0342 -0.0253 -0.0253 0.2642 0.2642 0.2943 0.2943 1.2381 1.2381 1.2450 1.2450 1.7467 1.7467 1.7625 1.7625 4.7641 4.7641 4.7881 4.7881 5.0388 5.0388 5.1009 5.1009 5.3554 5.3554 5.4370 5.4370 5.5393 5.5393 5.5717 5.5717 6.7901 6.7901 6.8134 6.8134 14.9051 14.9051 14.9156 14.9156 15.1369 15.1369 k = 0.0000 0.5000 0.7539 ( 2688 PWs) bands (ev): -17.7753 -17.7753 -17.7722 -17.7722 -17.6412 -17.6412 -17.6412 -17.6412 -1.1390 -1.1390 -1.1360 -1.1360 -0.6234 -0.6234 -0.6188 -0.6188 -0.0342 -0.0342 -0.0253 -0.0253 0.2642 0.2642 0.2943 0.2943 1.2381 1.2381 1.2450 1.2450 1.7467 1.7467 1.7625 1.7625 4.7641 4.7641 4.7881 4.7881 5.0388 5.0388 5.1009 5.1009 5.3554 5.3554 5.4370 5.4370 5.5393 5.5393 5.5717 5.5717 6.7901 6.7901 6.8134 6.8134 14.9051 14.9051 14.9156 14.9156 15.1369 15.1369 k = 0.0147 0.5000 0.7539 ( 2692 PWs) bands (ev): -17.7753 -17.7753 -17.7723 -17.7723 -17.6412 -17.6412 -17.6412 -17.6412 -1.1406 -1.1406 -1.1375 -1.1375 -0.6232 -0.6232 -0.6186 -0.6186 -0.0332 -0.0332 -0.0244 -0.0244 0.2636 0.2636 0.2937 0.2937 1.2392 1.2392 1.2462 1.2462 1.7468 1.7468 1.7627 1.7627 4.7644 4.7644 4.7884 4.7884 5.0389 5.0389 5.1009 5.1009 5.3552 5.3552 5.4369 5.4369 5.5397 5.5397 5.5720 5.5720 6.7894 6.7894 6.8127 6.8127 14.9023 14.9023 14.9124 14.9124 15.1407 15.1407 k = 0.0294 0.5000 0.7539 ( 2692 PWs) bands (ev): -17.7754 -17.7754 -17.7724 -17.7724 -17.6410 -17.6410 -17.6410 -17.6410 -1.1451 -1.1451 -1.1419 -1.1419 -0.6225 -0.6225 -0.6183 -0.6183 -0.0300 -0.0300 -0.0215 -0.0215 0.2619 0.2619 0.2917 0.2917 1.2427 1.2427 1.2498 1.2498 1.7473 1.7473 1.7632 1.7632 4.7654 4.7654 4.7894 4.7894 5.0391 5.0391 5.1009 5.1009 5.3547 5.3547 5.4365 5.4365 5.5408 5.5408 5.5728 5.5728 6.7873 6.7873 6.8106 6.8106 14.8944 14.8944 14.9034 14.9034 15.1516 15.1516 k = 0.0441 0.5000 0.7539 ( 2696 PWs) bands (ev): -17.7756 -17.7756 -17.7726 -17.7726 -17.6408 -17.6408 -17.6408 -17.6408 -1.1525 -1.1525 -1.1492 -1.1492 -0.6216 -0.6216 -0.6178 -0.6178 -0.0248 -0.0248 -0.0167 -0.0167 0.2591 0.2591 0.2885 0.2885 1.2485 1.2485 1.2558 1.2558 1.7481 1.7481 1.7640 1.7640 4.7670 4.7670 4.7911 4.7911 5.0394 5.0394 5.1009 5.1009 5.3538 5.3538 5.4359 5.4359 5.5428 5.5428 5.5742 5.5742 6.7838 6.7838 6.8070 6.8070 14.8822 14.8822 14.8900 14.8900 15.1681 15.1681 k = 0.0588 0.5000 0.7539 ( 2692 PWs) bands (ev): -17.7759 -17.7759 -17.7729 -17.7729 -17.6404 -17.6404 -17.6404 -17.6404 -1.1625 -1.1625 -1.1591 -1.1591 -0.6205 -0.6205 -0.6173 -0.6173 -0.0175 -0.0175 -0.0100 -0.0100 0.2553 0.2553 0.2841 0.2841 1.2564 1.2564 1.2640 1.2640 1.7492 1.7492 1.7651 1.7651 4.7693 4.7693 4.7935 4.7935 5.0398 5.0398 5.1010 5.1010 5.3526 5.3526 5.4350 5.4350 5.5456 5.5456 5.5763 5.5763 6.7789 6.7789 6.8021 6.8021 14.8671 14.8671 14.8735 14.8735 15.1889 15.1889 k = 0.0735 0.5000 0.7539 ( 2692 PWs) bands (ev): -17.7762 -17.7762 -17.7732 -17.7732 -17.6400 -17.6400 -17.6400 -17.6400 -1.1749 -1.1749 -1.1713 -1.1713 -0.6195 -0.6195 -0.6169 -0.6169 -0.0082 -0.0082 -0.0015 -0.0015 0.2505 0.2505 0.2787 0.2787 1.2663 1.2663 1.2743 1.2743 1.7506 1.7506 1.7665 1.7665 4.7722 4.7722 4.7966 4.7966 5.0403 5.0403 5.1010 5.1010 5.3509 5.3509 5.4337 5.4337 5.5493 5.5493 5.5792 5.5792 6.7727 6.7727 6.7957 6.7957 14.8499 14.8499 14.8551 14.8551 15.2129 15.2129 k = 0.0882 0.5000 0.7539 ( 2688 PWs) bands (ev): -17.7766 -17.7766 -17.7737 -17.7737 -17.6395 -17.6395 -17.6395 -17.6395 -1.1893 -1.1893 -1.1855 -1.1855 -0.6187 -0.6187 -0.6169 -0.6169 0.0028 0.0028 0.0087 0.0087 0.2450 0.2450 0.2723 0.2723 1.2781 1.2781 1.2865 1.2865 1.7522 1.7522 1.7682 1.7682 4.7757 4.7757 4.8003 4.8003 5.0410 5.0410 5.1011 5.1011 5.3488 5.3488 5.4320 5.4320 5.5539 5.5539 5.5828 5.5828 6.7651 6.7651 6.7880 6.7880 14.8314 14.8314 14.8356 14.8356 15.2393 15.2393 k = 0.1029 0.5000 0.7539 ( 2684 PWs) bands (ev): -17.7770 -17.7770 -17.7741 -17.7741 -17.6389 -17.6389 -17.6388 -17.6388 -1.2054 -1.2054 -1.2015 -1.2015 -0.6184 -0.6184 -0.6173 -0.6173 0.0156 0.0156 0.0206 0.0206 0.2388 0.2388 0.2651 0.2651 1.2916 1.2916 1.3005 1.3005 1.7542 1.7542 1.7702 1.7702 4.7798 4.7798 4.8046 4.8046 5.0418 5.0418 5.1012 5.1012 5.3463 5.3463 5.4298 5.4298 5.5594 5.5594 5.5873 5.5873 6.7562 6.7562 6.7789 6.7789 14.8121 14.8121 14.8154 14.8154 15.2676 15.2676 k = 0.1176 0.5000 0.7539 ( 2684 PWs) bands (ev): -17.7775 -17.7775 -17.7747 -17.7747 -17.6382 -17.6382 -17.6382 -17.6382 -1.2230 -1.2230 -1.2189 -1.2189 -0.6187 -0.6187 -0.6184 -0.6184 0.0299 0.0299 0.0339 0.0339 0.2321 0.2321 0.2573 0.2573 1.3067 1.3067 1.3160 1.3160 1.7563 1.7563 1.7724 1.7724 4.7846 4.7846 4.8096 4.8096 5.0426 5.0426 5.1013 5.1013 5.3432 5.3432 5.4270 5.4270 5.5660 5.5660 5.5928 5.5928 6.7459 6.7459 6.7684 6.7684 14.7924 14.7924 14.7950 14.7950 15.2974 15.2974 k = 0.1324 0.5000 0.7539 ( 2680 PWs) bands (ev): -17.7780 -17.7780 -17.7753 -17.7753 -17.6375 -17.6375 -17.6374 -17.6374 -1.2417 -1.2417 -1.2375 -1.2375 -0.6201 -0.6201 -0.6197 -0.6197 0.0455 0.0455 0.0485 0.0485 0.2250 0.2250 0.2490 0.2490 1.3230 1.3230 1.3328 1.3328 1.7587 1.7587 1.7749 1.7749 4.7899 4.7899 4.8152 4.8152 5.0435 5.0435 5.1013 5.1013 5.3395 5.3395 5.4236 5.4236 5.5736 5.5736 5.5993 5.5993 6.7343 6.7343 6.7567 6.7567 14.7725 14.7725 14.7745 14.7745 15.3285 15.3285 k = 0.1471 0.5000 0.7539 ( 2680 PWs) bands (ev): -17.7786 -17.7786 -17.7759 -17.7759 -17.6367 -17.6367 -17.6366 -17.6366 -1.2612 -1.2612 -1.2569 -1.2569 -0.6225 -0.6225 -0.6215 -0.6215 0.0624 0.0624 0.0643 0.0643 0.2176 0.2176 0.2403 0.2403 1.3405 1.3405 1.3508 1.3508 1.7613 1.7613 1.7775 1.7775 4.7958 4.7958 4.8213 4.8213 5.0445 5.0445 5.1014 5.1014 5.3353 5.3353 5.4195 5.4195 5.5822 5.5822 5.6069 5.6069 6.7215 6.7215 6.7436 6.7436 14.7527 14.7527 14.7541 14.7541 15.3608 15.3608 k = 0.1618 0.5000 0.7539 ( 2684 PWs) bands (ev): -17.7792 -17.7792 -17.7766 -17.7766 -17.6358 -17.6358 -17.6357 -17.6357 -1.2813 -1.2813 -1.2770 -1.2770 -0.6257 -0.6257 -0.6241 -0.6241 0.0801 0.0801 0.0809 0.0809 0.2102 0.2102 0.2313 0.2313 1.3589 1.3589 1.3697 1.3697 1.7641 1.7641 1.7803 1.7803 4.8022 4.8022 4.8281 4.8281 5.0455 5.0455 5.1015 5.1015 5.3305 5.3305 5.4147 5.4147 5.5919 5.5919 5.6155 5.6155 6.7075 6.7075 6.7293 6.7293 14.7330 14.7330 14.7339 14.7339 15.3941 15.3941 k = 0.1765 0.5000 0.7539 ( 2676 PWs) bands (ev): -17.7798 -17.7798 -17.7773 -17.7773 -17.6349 -17.6349 -17.6348 -17.6348 -1.3018 -1.3018 -1.2974 -1.2974 -0.6295 -0.6295 -0.6274 -0.6274 0.0981 0.0981 0.0987 0.0987 0.2030 0.2030 0.2224 0.2224 1.3781 1.3781 1.3894 1.3894 1.7670 1.7670 1.7832 1.7832 4.8092 4.8092 4.8354 4.8354 5.0465 5.0465 5.1015 5.1015 5.3252 5.3252 5.4093 5.4093 5.6027 5.6027 5.6254 5.6254 6.6923 6.6923 6.7138 6.7138 14.7135 14.7135 14.7141 14.7141 15.4284 15.4284 k = 0.1912 0.5000 0.7539 ( 2672 PWs) bands (ev): -17.7805 -17.7805 -17.7781 -17.7781 -17.6340 -17.6340 -17.6339 -17.6339 -1.3224 -1.3224 -1.3180 -1.3180 -0.6341 -0.6341 -0.6315 -0.6315 0.1155 0.1155 0.1177 0.1177 0.1962 0.1962 0.2134 0.2134 1.3979 1.3979 1.4096 1.4096 1.7699 1.7699 1.7863 1.7863 4.8168 4.8168 4.8432 4.8432 5.0476 5.0476 5.1016 5.1016 5.3193 5.3193 5.4033 5.4033 5.6146 5.6146 5.6363 5.6363 6.6760 6.6760 6.6972 6.6972 14.6944 14.6944 14.6946 14.6946 15.4635 15.4635 k = 0.2059 0.5000 0.7539 ( 2672 PWs) bands (ev): -17.7811 -17.7811 -17.7788 -17.7788 -17.6331 -17.6331 -17.6329 -17.6329 -1.3429 -1.3429 -1.3386 -1.3386 -0.6392 -0.6392 -0.6364 -0.6364 0.1322 0.1322 0.1371 0.1371 0.1905 0.1905 0.2046 0.2046 1.4180 1.4180 1.4301 1.4301 1.7730 1.7730 1.7894 1.7894 4.8248 4.8248 4.8514 4.8514 5.0487 5.0487 5.1017 5.1017 5.3129 5.3129 5.3965 5.3965 5.6274 5.6274 5.6483 5.6483 6.6586 6.6586 6.6795 6.6795 14.6757 14.6757 14.6757 14.6757 15.4994 15.4994 k = 0.2206 0.5000 0.7539 ( 2668 PWs) bands (ev): -17.7818 -17.7818 -17.7796 -17.7796 -17.6321 -17.6321 -17.6320 -17.6320 -1.3633 -1.3633 -1.3590 -1.3590 -0.6448 -0.6448 -0.6418 -0.6418 0.1464 0.1464 0.1562 0.1562 0.1878 0.1878 0.1963 0.1963 1.4383 1.4383 1.4509 1.4509 1.7761 1.7761 1.7925 1.7925 4.8333 4.8333 4.8602 4.8602 5.0498 5.0498 5.1018 5.1018 5.3060 5.3060 5.3892 5.3892 5.6413 5.6413 5.6614 5.6614 6.6401 6.6401 6.6607 6.6607 14.6572 14.6572 14.6575 14.6575 15.5360 15.5360 k = 0.2353 0.5000 0.7539 ( 2668 PWs) bands (ev): -17.7825 -17.7825 -17.7804 -17.7804 -17.6311 -17.6311 -17.6310 -17.6310 -1.3833 -1.3833 -1.3791 -1.3791 -0.6509 -0.6509 -0.6477 -0.6477 0.1538 0.1538 0.1732 0.1732 0.1905 0.1905 0.1923 0.1923 1.4587 1.4587 1.4716 1.4716 1.7793 1.7793 1.7957 1.7957 4.8422 4.8422 4.8694 4.8694 5.0508 5.0508 5.1017 5.1017 5.2986 5.2986 5.3813 5.3813 5.6563 5.6563 5.6755 5.6755 6.6207 6.6207 6.6409 6.6409 14.6393 14.6393 14.6398 14.6398 15.5733 15.5733 k = 0.2500 0.5000 0.7539 ( 2668 PWs) bands (ev): -17.7831 -17.7831 -17.7811 -17.7811 -17.6301 -17.6301 -17.6300 -17.6300 -1.4028 -1.4028 -1.3987 -1.3987 -0.6573 -0.6573 -0.6540 -0.6540 0.1532 0.1532 0.1752 0.1752 0.1996 0.1996 0.2048 0.2048 1.4790 1.4790 1.4923 1.4923 1.7823 1.7823 1.7988 1.7988 4.8516 4.8516 4.8789 4.8789 5.0518 5.0518 5.1017 5.1017 5.2908 5.2908 5.3728 5.3728 5.6722 5.6722 5.6907 5.6907 6.6003 6.6003 6.6201 6.6201 14.6220 14.6220 14.6226 14.6226 15.6111 15.6111 k = 0.2647 0.5000 0.7539 ( 2672 PWs) bands (ev): -17.7838 -17.7838 -17.7819 -17.7819 -17.6292 -17.6292 -17.6290 -17.6290 -1.4217 -1.4217 -1.4178 -1.4178 -0.6640 -0.6640 -0.6606 -0.6606 0.1491 0.1491 0.1685 0.1685 0.2174 0.2174 0.2209 0.2209 1.4990 1.4990 1.5126 1.5126 1.7854 1.7854 1.8018 1.8018 4.8614 4.8614 4.8888 4.8888 5.0527 5.0527 5.1016 5.1016 5.2826 5.2826 5.3639 5.3639 5.6889 5.6889 5.7068 5.7068 6.5791 6.5791 6.5986 6.5986 14.6053 14.6053 14.6061 14.6061 15.6492 15.6492 k = 0.2794 0.5000 0.7539 ( 2672 PWs) bands (ev): -17.7844 -17.7844 -17.7827 -17.7827 -17.6282 -17.6282 -17.6281 -17.6281 -1.4399 -1.4399 -1.4361 -1.4361 -0.6708 -0.6708 -0.6675 -0.6675 0.1439 0.1439 0.1612 0.1612 0.2358 0.2358 0.2380 0.2380 1.5187 1.5187 1.5325 1.5325 1.7883 1.7883 1.8046 1.8046 4.8715 4.8715 4.8990 4.8990 5.0536 5.0536 5.1014 5.1014 5.2741 5.2741 5.3545 5.3545 5.7066 5.7066 5.7238 5.7238 6.5572 6.5572 6.5762 6.5762 14.5894 14.5894 14.5903 14.5903 15.6877 15.6877 k = 0.2941 0.5000 0.7539 ( 2668 PWs) bands (ev): -17.7851 -17.7851 -17.7834 -17.7834 -17.6273 -17.6273 -17.6272 -17.6272 -1.4573 -1.4573 -1.4537 -1.4537 -0.6776 -0.6776 -0.6744 -0.6744 0.1385 0.1385 0.1541 0.1541 0.2537 0.2537 0.2551 0.2551 1.5379 1.5379 1.5519 1.5519 1.7911 1.7911 1.8074 1.8074 4.8820 4.8820 4.9094 4.9094 5.0544 5.0544 5.1012 5.1012 5.2654 5.2654 5.3447 5.3447 5.7252 5.7252 5.7418 5.7418 6.5346 6.5346 6.5532 6.5532 14.5742 14.5742 14.5752 14.5752 15.7263 15.7263 k = 0.3088 0.5000 0.7539 ( 2660 PWs) bands (ev): -17.7856 -17.7856 -17.7841 -17.7841 -17.6264 -17.6264 -17.6263 -17.6263 -1.4738 -1.4738 -1.4704 -1.4704 -0.6844 -0.6844 -0.6812 -0.6812 0.1333 0.1333 0.1473 0.1473 0.2710 0.2710 0.2718 0.2718 1.5565 1.5565 1.5706 1.5706 1.7938 1.7938 1.8099 1.8099 4.8929 4.8929 4.9200 4.9200 5.0551 5.0551 5.1009 5.1009 5.2566 5.2566 5.3346 5.3346 5.7444 5.7444 5.7604 5.7604 6.5115 6.5115 6.5296 6.5296 14.5599 14.5599 14.5609 14.5609 15.7648 15.7648 k = 0.3235 0.5000 0.7539 ( 2660 PWs) bands (ev): -17.7862 -17.7862 -17.7848 -17.7848 -17.6256 -17.6256 -17.6254 -17.6254 -1.4894 -1.4894 -1.4861 -1.4861 -0.6910 -0.6910 -0.6880 -0.6880 0.1283 0.1283 0.1410 0.1410 0.2875 0.2875 0.2879 0.2879 1.5744 1.5744 1.5885 1.5885 1.7962 1.7962 1.8121 1.8121 4.9040 4.9040 4.9308 4.9308 5.0556 5.0556 5.1004 5.1004 5.2477 5.2477 5.3242 5.3242 5.7643 5.7643 5.7798 5.7798 6.4878 6.4878 6.5054 6.5054 14.5464 14.5464 14.5474 14.5474 15.8030 15.8030 k = 0.3382 0.5000 0.7539 ( 2660 PWs) bands (ev): -17.7867 -17.7867 -17.7854 -17.7854 -17.6247 -17.6247 -17.6246 -17.6246 -1.5039 -1.5039 -1.5009 -1.5009 -0.6974 -0.6974 -0.6946 -0.6946 0.1236 0.1236 0.1350 0.1350 0.3030 0.3030 0.3031 0.3031 1.5915 1.5915 1.6055 1.6055 1.7985 1.7985 1.8141 1.8141 4.9153 4.9153 4.9415 4.9415 5.0560 5.0560 5.0997 5.0997 5.2389 5.2389 5.3136 5.3136 5.7848 5.7848 5.7997 5.7997 6.4639 6.4639 6.4810 6.4810 14.5337 14.5337 14.5348 14.5348 15.8406 15.8406 k = 0.3529 0.5000 0.7539 ( 2656 PWs) bands (ev): -17.7872 -17.7872 -17.7860 -17.7860 -17.6240 -17.6240 -17.6238 -17.6238 -1.5173 -1.5173 -1.5145 -1.5145 -0.7035 -0.7035 -0.7009 -0.7009 0.1193 0.1193 0.1295 0.1295 0.3173 0.3173 0.3174 0.3174 1.6076 1.6076 1.6215 1.6215 1.8005 1.8005 1.8158 1.8158 4.9268 4.9268 4.9523 4.9523 5.0562 5.0562 5.0988 5.0988 5.2303 5.2303 5.3028 5.3028 5.8057 5.8057 5.8200 5.8200 6.4398 6.4398 6.4563 6.4563 14.5220 14.5220 14.5231 14.5231 15.8774 15.8774 k = 0.3676 0.5000 0.7539 ( 2656 PWs) bands (ev): -17.7877 -17.7877 -17.7866 -17.7866 -17.6233 -17.6233 -17.6231 -17.6231 -1.5296 -1.5296 -1.5271 -1.5271 -0.7092 -0.7092 -0.7069 -0.7069 0.1154 0.1154 0.1245 0.1245 0.3305 0.3305 0.3308 0.3308 1.6228 1.6228 1.6364 1.6364 1.8024 1.8024 1.8171 1.8171 4.9385 4.9385 4.9629 4.9629 5.0563 5.0563 5.0974 5.0974 5.2222 5.2222 5.2919 5.2919 5.8269 5.8269 5.8407 5.8407 6.4157 6.4157 6.4316 6.4316 14.5113 14.5113 14.5123 14.5123 15.9129 15.9129 k = 0.3824 0.5000 0.7539 ( 2656 PWs) bands (ev): -17.7881 -17.7881 -17.7871 -17.7871 -17.6226 -17.6226 -17.6225 -17.6225 -1.5407 -1.5407 -1.5384 -1.5384 -0.7145 -0.7145 -0.7124 -0.7124 0.1119 0.1119 0.1199 0.1199 0.3425 0.3425 0.3429 0.3429 1.6369 1.6369 1.6500 1.6500 1.8040 1.8040 1.8180 1.8180 4.9503 4.9503 4.9732 4.9732 5.0561 5.0561 5.0955 5.0955 5.2147 5.2147 5.2810 5.2810 5.8482 5.8482 5.8613 5.8613 6.3920 6.3920 6.4070 6.4070 14.5016 14.5016 14.5026 14.5026 15.9468 15.9468 k = 0.3971 0.5000 0.7539 ( 2664 PWs) bands (ev): -17.7884 -17.7884 -17.7876 -17.7876 -17.6220 -17.6220 -17.6219 -17.6219 -1.5506 -1.5506 -1.5486 -1.5486 -0.7193 -0.7193 -0.7174 -0.7174 0.1089 0.1089 0.1158 0.1158 0.3533 0.3533 0.3537 0.3537 1.6498 1.6498 1.6622 1.6622 1.8054 1.8054 1.8186 1.8186 4.9621 4.9621 4.9832 4.9832 5.0556 5.0556 5.0929 5.0929 5.2082 5.2082 5.2701 5.2701 5.8693 5.8693 5.8818 5.8818 6.3687 6.3687 6.3830 6.3830 14.4930 14.4930 14.4939 14.4939 15.9786 15.9786 k = 0.4118 0.5000 0.7539 ( 2664 PWs) bands (ev): -17.7887 -17.7887 -17.7880 -17.7880 -17.6215 -17.6215 -17.6214 -17.6214 -1.5592 -1.5592 -1.5574 -1.5574 -0.7235 -0.7235 -0.7219 -0.7219 0.1063 0.1063 0.1122 0.1122 0.3628 0.3628 0.3631 0.3631 1.6615 1.6615 1.6729 1.6729 1.8067 1.8067 1.8188 1.8188 4.9739 4.9739 4.9928 4.9928 5.0549 5.0549 5.0895 5.0895 5.2029 5.2029 5.2595 5.2595 5.8900 5.8900 5.9016 5.9016 6.3465 6.3465 6.3597 6.3597 14.4855 14.4855 14.4862 14.4862 16.0079 16.0079 k = 0.4265 0.5000 0.7539 ( 2660 PWs) bands (ev): -17.7890 -17.7890 -17.7884 -17.7884 -17.6211 -17.6211 -17.6210 -17.6210 -1.5665 -1.5665 -1.5650 -1.5650 -0.7272 -0.7272 -0.7258 -0.7258 0.1042 0.1042 0.1090 0.1090 0.3709 0.3709 0.3712 0.3712 1.6719 1.6719 1.6821 1.6821 1.8078 1.8078 1.8186 1.8186 4.9856 4.9856 5.0018 5.0018 5.0539 5.0539 5.0850 5.0850 5.1992 5.1992 5.2491 5.2491 5.9098 5.9098 5.9204 5.9204 6.3257 6.3257 6.3377 6.3377 14.4790 14.4790 14.4797 14.4797 16.0341 16.0341 k = 0.4412 0.5000 0.7539 ( 2656 PWs) bands (ev): -17.7892 -17.7892 -17.7887 -17.7887 -17.6207 -17.6207 -17.6206 -17.6206 -1.5725 -1.5725 -1.5713 -1.5713 -0.7302 -0.7302 -0.7291 -0.7291 0.1025 0.1025 0.1064 0.1064 0.3776 0.3776 0.3779 0.3779 1.6808 1.6808 1.6895 1.6895 1.8090 1.8090 1.8181 1.8181 4.9971 4.9971 5.0100 5.0100 5.0525 5.0525 5.0795 5.0795 5.1973 5.1973 5.2392 5.2392 5.9281 5.9281 5.9374 5.9374 6.3070 6.3070 6.3174 6.3174 14.4737 14.4737 14.4743 14.4743 16.0567 16.0567 k = 0.4559 0.5000 0.7539 ( 2656 PWs) bands (ev): -17.7893 -17.7893 -17.7890 -17.7890 -17.6204 -17.6204 -17.6204 -17.6204 -1.5771 -1.5771 -1.5762 -1.5762 -0.7325 -0.7325 -0.7317 -0.7317 0.1014 0.1014 0.1043 0.1043 0.3829 0.3829 0.3831 0.3831 1.6882 1.6882 1.6951 1.6951 1.8101 1.8101 1.8173 1.8173 5.0082 5.0082 5.0173 5.0173 5.0508 5.0508 5.0729 5.0729 5.1971 5.1971 5.2299 5.2299 5.9443 5.9443 5.9519 5.9519 6.2912 6.2912 6.2997 6.2997 14.4696 14.4696 14.4700 14.4700 16.0752 16.0752 k = 0.4706 0.5000 0.7539 ( 2660 PWs) bands (ev): -17.7894 -17.7894 -17.7892 -17.7892 -17.6202 -17.6202 -17.6202 -17.6202 -1.5804 -1.5804 -1.5798 -1.5798 -0.7341 -0.7341 -0.7336 -0.7336 0.1007 0.1007 0.1026 0.1026 0.3867 0.3867 0.3869 0.3869 1.6940 1.6940 1.6987 1.6987 1.8113 1.8113 1.8162 1.8162 5.0184 5.0184 5.0235 5.0235 5.0492 5.0492 5.0655 5.0655 5.1988 5.1988 5.2213 5.2213 5.9574 5.9574 5.9629 5.9629 6.2794 6.2794 6.2854 6.2854 14.4667 14.4667 14.4670 14.4670 16.0892 16.0892 k = 0.4853 0.5000 0.7539 ( 2664 PWs) bands (ev): -17.7894 -17.7894 -17.7893 -17.7893 -17.6201 -17.6201 -17.6201 -17.6201 -1.5823 -1.5823 -1.5820 -1.5820 -0.7351 -0.7351 -0.7348 -0.7348 0.1004 0.1004 0.1014 0.1014 0.3890 0.3890 0.3891 0.3891 1.6980 1.6980 1.7004 1.7004 1.8125 1.8125 1.8150 1.8150 5.0265 5.0265 5.0281 5.0281 5.0485 5.0485 5.0578 5.0578 5.2023 5.2023 5.2137 5.2137 5.9665 5.9665 5.9694 5.9694 6.2724 6.2724 6.2756 6.2756 14.4650 14.4650 14.4651 14.4651 16.0984 16.0990 k = 0.5000 0.5000 0.7539 ( 2672 PWs) bands (ev): -17.7894 -17.7894 -17.7894 -17.7894 -17.6200 -17.6200 -17.6200 -17.6200 -1.5828 -1.5828 -1.5828 -1.5828 -0.7353 -0.7353 -0.7353 -0.7353 0.1006 0.1006 0.1006 0.1006 0.3898 0.3898 0.3898 0.3898 1.7001 1.7001 1.7001 1.7001 1.8138 1.8138 1.8138 1.8138 5.0299 5.0299 5.0299 5.0299 5.0513 5.0513 5.0513 5.0513 5.2073 5.2073 5.2073 5.2073 5.9706 5.9706 5.9706 5.9706 6.2711 6.2711 6.2711 6.2711 14.4644 14.4644 14.4644 14.4644 16.1023 16.1023 k = 0.5000 0.5000 0.7539 ( 2672 PWs) bands (ev): -17.7894 -17.7894 -17.7894 -17.7894 -17.6200 -17.6200 -17.6200 -17.6200 -1.5828 -1.5828 -1.5828 -1.5828 -0.7353 -0.7353 -0.7353 -0.7353 0.1006 0.1006 0.1006 0.1006 0.3898 0.3898 0.3898 0.3898 1.7001 1.7001 1.7001 1.7001 1.8138 1.8138 1.8138 1.8138 5.0299 5.0299 5.0299 5.0299 5.0513 5.0513 5.0513 5.0513 5.2073 5.2073 5.2073 5.2073 5.9706 5.9706 5.9706 5.9706 6.2711 6.2711 6.2711 6.2711 14.4644 14.4644 14.4644 14.4644 16.1023 16.1023 k = 0.4896 0.4896 0.7539 ( 2660 PWs) bands (ev): -17.7895 -17.7895 -17.7893 -17.7893 -17.6202 -17.6202 -17.6200 -17.6200 -1.5826 -1.5826 -1.5817 -1.5817 -0.7352 -0.7352 -0.7347 -0.7347 0.1003 0.1003 0.1014 0.1014 0.3883 0.3883 0.3897 0.3897 1.6979 1.6979 1.7005 1.7005 1.8123 1.8123 1.8152 1.8152 5.0249 5.0249 5.0300 5.0300 5.0482 5.0482 5.0579 5.0579 5.2022 5.2022 5.2138 5.2138 5.9649 5.9649 5.9710 5.9710 6.2707 6.2707 6.2773 6.2773 14.4636 14.4636 14.4665 14.4665 16.0947 16.0947 k = 0.4792 0.4792 0.7539 ( 2656 PWs) bands (ev): -17.7896 -17.7896 -17.7890 -17.7890 -17.6205 -17.6205 -17.6199 -17.6199 -1.5817 -1.5817 -1.5784 -1.5784 -0.7346 -0.7346 -0.7332 -0.7332 0.1001 0.1001 0.1031 0.1031 0.3839 0.3839 0.3896 0.3896 1.6936 1.6936 1.6992 1.6992 1.8098 1.8098 1.8175 1.8175 5.0140 5.0140 5.0300 5.0300 5.0472 5.0472 5.0655 5.0655 5.1982 5.1982 5.2219 5.2219 5.9499 5.9499 5.9711 5.9711 6.2706 6.2706 6.2935 6.2935 14.4610 14.4610 14.4727 14.4727 16.0731 16.0731 k = 0.4688 0.4687 0.7539 ( 2652 PWs) bands (ev): -17.7899 -17.7899 -17.7884 -17.7884 -17.6211 -17.6211 -17.6197 -17.6197 -1.5803 -1.5803 -1.5729 -1.5729 -0.7336 -0.7336 -0.7306 -0.7306 0.0999 0.0999 0.1057 0.1057 0.3766 0.3766 0.3894 0.3894 1.6873 1.6873 1.6966 1.6966 1.8060 1.8060 1.8207 1.8207 5.0006 5.0006 5.0301 5.0301 5.0468 5.0468 5.0724 5.0724 5.1950 5.1950 5.2315 5.2315 5.9280 5.9280 5.9713 5.9713 6.2706 6.2706 6.3174 6.3174 14.4568 14.4568 14.4830 14.4830 16.0390 16.0390 k = 0.4583 0.4583 0.7539 ( 2658 PWs) bands (ev): -17.7902 -17.7902 -17.7877 -17.7877 -17.6220 -17.6220 -17.6194 -17.6194 -1.5783 -1.5783 -1.5653 -1.5653 -0.7322 -0.7322 -0.7269 -0.7269 0.0996 0.0996 0.1093 0.1093 0.3664 0.3664 0.3891 0.3891 1.6792 1.6792 1.6927 1.6927 1.8007 1.8007 1.8244 1.8244 4.9861 4.9861 5.0301 5.0301 5.0464 5.0464 5.0781 5.0781 5.1924 5.1924 5.2426 5.2426 5.9016 5.9016 5.9714 5.9714 6.2705 6.2705 6.3463 6.3463 14.4509 14.4509 14.4973 14.4973 15.9946 15.9946 k = 0.4479 0.4479 0.7539 ( 2658 PWs) bands (ev): -17.7906 -17.7906 -17.7868 -17.7868 -17.6230 -17.6230 -17.6190 -17.6190 -1.5757 -1.5757 -1.5555 -1.5555 -0.7306 -0.7306 -0.7222 -0.7222 0.0992 0.0992 0.1139 0.1139 0.3536 0.3536 0.3887 0.3887 1.6698 1.6698 1.6876 1.6876 1.7941 1.7941 1.8284 1.8284 4.9711 4.9711 5.0301 5.0301 5.0461 5.0461 5.0827 5.0827 5.1903 5.1903 5.2549 5.2549 5.8729 5.8729 5.9716 5.9716 6.2703 6.2703 6.3782 6.3782 14.4435 14.4435 14.5157 14.5157 15.9424 15.9424 k = 0.4375 0.4375 0.7539 ( 2654 PWs) bands (ev): -17.7911 -17.7911 -17.7857 -17.7857 -17.6243 -17.6243 -17.6186 -17.6186 -1.5725 -1.5725 -1.5437 -1.5437 -0.7286 -0.7286 -0.7165 -0.7165 0.0987 0.0987 0.1194 0.1194 0.3381 0.3381 0.3883 0.3883 1.6593 1.6593 1.6814 1.6814 1.7859 1.7859 1.8321 1.8321 4.9558 4.9558 5.0301 5.0301 5.0458 5.0458 5.0864 5.0864 5.1884 5.1884 5.2680 5.2680 5.8431 5.8431 5.9719 5.9719 6.2702 6.2702 6.4119 6.4119 14.4345 14.4345 14.5380 14.5380 15.8844 15.8844 k = 0.4271 0.4271 0.7539 ( 2650 PWs) bands (ev): -17.7917 -17.7917 -17.7845 -17.7845 -17.6257 -17.6257 -17.6181 -17.6181 -1.5686 -1.5686 -1.5298 -1.5298 -0.7264 -0.7264 -0.7098 -0.7098 0.0979 0.0979 0.1260 0.1260 0.3202 0.3202 0.3877 0.3877 1.6480 1.6480 1.6741 1.6741 1.7764 1.7764 1.8355 1.8355 4.9406 4.9406 5.0300 5.0300 5.0455 5.0455 5.0893 5.0893 5.1867 5.1867 5.2818 5.2818 5.8131 5.8131 5.9722 5.9722 6.2699 6.2699 6.4464 6.4464 14.4241 14.4241 14.5641 14.5641 15.8222 15.8222 k = 0.4167 0.4167 0.7539 ( 2650 PWs) bands (ev): -17.7924 -17.7924 -17.7831 -17.7831 -17.6273 -17.6273 -17.6175 -17.6175 -1.5640 -1.5640 -1.5139 -1.5139 -0.7240 -0.7240 -0.7020 -0.7020 0.0968 0.0968 0.1334 0.1334 0.3001 0.3001 0.3871 0.3871 1.6360 1.6360 1.6658 1.6658 1.7655 1.7655 1.8382 1.8382 4.9256 4.9256 5.0298 5.0298 5.0453 5.0453 5.0916 5.0916 5.1852 5.1852 5.2959 5.2959 5.7834 5.7834 5.9725 5.9725 6.2694 6.2694 6.4807 6.4807 14.4124 14.4124 14.5939 14.5939 15.7573 15.7574 k = 0.4062 0.4062 0.7539 ( 2650 PWs) bands (ev): -17.7932 -17.7932 -17.7817 -17.7817 -17.6289 -17.6289 -17.6168 -17.6168 -1.5588 -1.5588 -1.4962 -1.4962 -0.7215 -0.7215 -0.6933 -0.6933 0.0952 0.0952 0.1416 0.1416 0.2781 0.2781 0.3865 0.3865 1.6236 1.6236 1.6565 1.6565 1.7532 1.7532 1.8401 1.8401 4.9111 4.9111 5.0295 5.0295 5.0452 5.0452 5.0934 5.0934 5.1838 5.1838 5.3102 5.3102 5.7546 5.7546 5.9728 5.9728 6.2689 6.2689 6.5146 6.5146 14.3994 14.3994 14.6272 14.6272 15.6910 15.6910 k = 0.3958 0.3958 0.7539 ( 2654 PWs) bands (ev): -17.7941 -17.7941 -17.7801 -17.7801 -17.6307 -17.6307 -17.6161 -17.6161 -1.5528 -1.5528 -1.4766 -1.4766 -0.7188 -0.7188 -0.6836 -0.6836 0.0928 0.0928 0.1506 0.1506 0.2547 0.2547 0.3857 0.3857 1.6108 1.6108 1.6463 1.6463 1.7396 1.7396 1.8410 1.8410 4.8972 4.8972 5.0291 5.0291 5.0451 5.0451 5.0949 5.0949 5.1825 5.1825 5.3242 5.3242 5.7269 5.7269 5.9732 5.9732 6.2681 6.2681 6.5475 6.5475 14.3852 14.3852 14.6637 14.6637 15.6242 15.6242 k = 0.3854 0.3854 0.7539 ( 2658 PWs) bands (ev): -17.7950 -17.7950 -17.7786 -17.7786 -17.6326 -17.6326 -17.6153 -17.6153 -1.5460 -1.5460 -1.4553 -1.4553 -0.7162 -0.7162 -0.6729 -0.6729 0.0890 0.0890 0.1602 0.1602 0.2308 0.2308 0.3849 0.3849 1.5977 1.5977 1.6352 1.6352 1.7248 1.7248 1.8408 1.8408 4.8842 4.8842 5.0285 5.0285 5.0452 5.0452 5.0962 5.0962 5.1813 5.1813 5.3381 5.3381 5.7005 5.7005 5.9736 5.9736 6.2672 6.2672 6.5789 6.5789 14.3700 14.3700 14.7029 14.7029 15.5579 15.5579 k = 0.3750 0.3750 0.7539 ( 2654 PWs) bands (ev): -17.7960 -17.7960 -17.7771 -17.7771 -17.6344 -17.6344 -17.6145 -17.6145 -1.5384 -1.5384 -1.4323 -1.4323 -0.7135 -0.7135 -0.6612 -0.6612 0.0828 0.0828 0.1698 0.1698 0.2081 0.2081 0.3841 0.3841 1.5845 1.5845 1.6232 1.6232 1.7088 1.7088 1.8395 1.8395 4.8720 4.8720 5.0279 5.0279 5.0455 5.0455 5.0974 5.0974 5.1804 5.1804 5.3515 5.3515 5.6757 5.6757 5.9741 5.9741 6.2660 6.2660 6.6089 6.6089 14.3539 14.3539 14.7441 14.7441 15.4933 15.4933 k = 0.3646 0.3646 0.7539 ( 2658 PWs) bands (ev): -17.7971 -17.7971 -17.7756 -17.7756 -17.6362 -17.6362 -17.6135 -17.6135 -1.5300 -1.5300 -1.4078 -1.4078 -0.7109 -0.7109 -0.6485 -0.6485 0.0727 0.0727 0.1751 0.1751 0.1925 0.1925 0.3831 0.3831 1.5711 1.5711 1.6105 1.6105 1.6918 1.6918 1.8369 1.8369 4.8608 4.8608 5.0272 5.0272 5.0458 5.0458 5.0983 5.0983 5.1796 5.1796 5.3644 5.3644 5.6524 5.6524 5.9746 5.9746 6.2646 6.2646 6.6370 6.6370 14.3370 14.3370 14.7860 14.7860 15.4319 15.4319 k = 0.3542 0.3542 0.7539 ( 2666 PWs) bands (ev): -17.7982 -17.7982 -17.7742 -17.7742 -17.6378 -17.6378 -17.6126 -17.6126 -1.5207 -1.5207 -1.3818 -1.3818 -0.7084 -0.7084 -0.6350 -0.6350 0.0567 0.0567 0.1649 0.1649 0.1973 0.1973 0.3822 0.3822 1.5577 1.5577 1.5970 1.5970 1.6737 1.6737 1.8329 1.8329 4.8506 4.8506 5.0264 5.0264 5.0462 5.0462 5.0992 5.0992 5.1790 5.1790 5.3767 5.3767 5.6309 5.6309 5.9750 5.9750 6.2629 6.2629 6.6629 6.6629 14.3194 14.3194 14.8266 14.8266 15.3761 15.3761 k = 0.3438 0.3437 0.7539 ( 2670 PWs) bands (ev): -17.7994 -17.7994 -17.7730 -17.7730 -17.6394 -17.6394 -17.6116 -17.6116 -1.5105 -1.5105 -1.3546 -1.3546 -0.7060 -0.7060 -0.6205 -0.6205 0.0340 0.0340 0.1543 0.1543 0.2082 0.2082 0.3812 0.3812 1.5443 1.5443 1.5829 1.5829 1.6547 1.6547 1.8276 1.8276 4.8417 4.8417 5.0256 5.0256 5.0467 5.0467 5.1001 5.1001 5.1787 5.1787 5.3883 5.3883 5.6113 5.6113 5.9755 5.9755 6.2610 6.2610 6.6866 6.6866 14.3011 14.3011 14.8622 14.8622 15.3295 15.3295 k = 0.3333 0.3333 0.7539 ( 2678 PWs) bands (ev): -17.8007 -17.8007 -17.7720 -17.7720 -17.6407 -17.6407 -17.6105 -17.6105 -1.4994 -1.4994 -1.3262 -1.3262 -0.7037 -0.7037 -0.6052 -0.6052 0.0053 0.0053 0.1478 0.1478 0.2201 0.2201 0.3802 0.3802 1.5309 1.5309 1.5682 1.5682 1.6349 1.6349 1.8209 1.8209 4.8341 4.8341 5.0248 5.0248 5.0473 5.0473 5.1010 5.1010 5.1786 5.1786 5.3990 5.3990 5.5936 5.5936 5.9761 5.9761 6.2587 6.2587 6.7077 6.7077 14.2824 14.2824 14.8870 14.8870 15.2983 15.2983 k = 0.3229 0.3229 0.7539 ( 2666 PWs) bands (ev): -17.8019 -17.8019 -17.7713 -17.7713 -17.6417 -17.6417 -17.6094 -17.6094 -1.4873 -1.4873 -1.2967 -1.2967 -0.7016 -0.7016 -0.5889 -0.5889 -0.0276 -0.0276 0.1446 0.1446 0.2322 0.2322 0.3791 0.3791 1.5175 1.5175 1.5531 1.5531 1.6146 1.6146 1.8128 1.8128 4.8278 4.8278 5.0242 5.0242 5.0480 5.0480 5.1020 5.1020 5.1789 5.1789 5.4090 5.4090 5.5779 5.5779 5.9767 5.9767 6.2561 6.2561 6.7263 6.7263 14.2634 14.2634 14.8937 14.8937 15.2896 15.2896 k = 0.3125 0.3125 0.7539 ( 2662 PWs) bands (ev): -17.8033 -17.8033 -17.7709 -17.7709 -17.6423 -17.6423 -17.6083 -17.6083 -1.4743 -1.4743 -1.2664 -1.2664 -0.6997 -0.6997 -0.5718 -0.5718 -0.0635 -0.0635 0.1437 0.1437 0.2442 0.2442 0.3781 0.3781 1.5043 1.5043 1.5375 1.5375 1.5937 1.5937 1.8032 1.8032 4.8229 4.8229 5.0236 5.0236 5.0487 5.0487 5.1030 5.1030 5.1794 5.1794 5.4181 5.4181 5.5642 5.5642 5.9772 5.9772 6.2532 6.2532 6.7421 6.7421 14.2440 14.2440 14.8789 14.8789 15.3070 15.3070 k = 0.3021 0.3021 0.7539 ( 2666 PWs) bands (ev): -17.8047 -17.8047 -17.7709 -17.7709 -17.6427 -17.6427 -17.6071 -17.6071 -1.4604 -1.4604 -1.2354 -1.2354 -0.6980 -0.6980 -0.5539 -0.5539 -0.1014 -0.1014 0.1443 0.1443 0.2559 0.2559 0.3770 0.3770 1.4911 1.4911 1.5216 1.5216 1.5726 1.5726 1.7922 1.7922 4.8194 4.8194 5.0231 5.0231 5.0494 5.0494 5.1041 5.1041 5.1803 5.1803 5.4263 5.4263 5.5523 5.5523 5.9778 5.9778 6.2498 6.2498 6.7549 6.7549 14.2245 14.2245 14.8463 14.8463 15.3468 15.3468 k = 0.2917 0.2917 0.7539 ( 2670 PWs) bands (ev): -17.8061 -17.8061 -17.7713 -17.7713 -17.6426 -17.6426 -17.6059 -17.6059 -1.4454 -1.4454 -1.2038 -1.2038 -0.6965 -0.6965 -0.5353 -0.5353 -0.1407 -0.1407 0.1460 0.1460 0.2670 0.2670 0.3759 0.3759 1.4779 1.4779 1.5054 1.5054 1.5513 1.5513 1.7797 1.7797 4.8173 4.8173 5.0227 5.0227 5.0501 5.0501 5.1053 5.1053 5.1814 5.1814 5.4334 5.4334 5.5425 5.5425 5.9784 5.9784 6.2461 6.2461 6.7648 6.7648 14.2049 14.2049 14.8024 14.8024 15.4024 15.4024 k = 0.2812 0.2812 0.7539 ( 2670 PWs) bands (ev): -17.8075 -17.8075 -17.7721 -17.7721 -17.6420 -17.6420 -17.6047 -17.6047 -1.4295 -1.4295 -1.1718 -1.1718 -0.6952 -0.6952 -0.5159 -0.5159 -0.1809 -0.1809 0.1488 0.1488 0.2774 0.2774 0.3748 0.3748 1.4648 1.4648 1.4891 1.4891 1.5301 1.5301 1.7659 1.7659 4.8167 4.8167 5.0225 5.0225 5.0508 5.0508 5.1066 5.1066 5.1829 5.1829 5.4397 5.4397 5.5347 5.5347 5.9790 5.9790 6.2420 6.2420 6.7716 6.7716 14.1854 14.1854 14.7524 14.7524 15.4685 15.4685 k = 0.2708 0.2708 0.7539 ( 2674 PWs) bands (ev): -17.8089 -17.8089 -17.7733 -17.7733 -17.6411 -17.6411 -17.6035 -17.6035 -1.4126 -1.4126 -1.1396 -1.1396 -0.6941 -0.6941 -0.4958 -0.4958 -0.2217 -0.2217 0.1524 0.1524 0.2866 0.2866 0.3737 0.3737 1.4516 1.4516 1.4730 1.4730 1.5092 1.5092 1.7508 1.7508 4.8176 4.8176 5.0224 5.0224 5.0515 5.0515 5.1081 5.1081 5.1847 5.1847 5.4449 5.4449 5.5288 5.5288 5.9796 5.9796 6.2376 6.2376 6.7753 6.7753 14.1659 14.1659 14.6993 14.6993 15.5421 15.5421 k = 0.2604 0.2604 0.7539 ( 2674 PWs) bands (ev): -17.8104 -17.8104 -17.7749 -17.7749 -17.6397 -17.6397 -17.6022 -17.6022 -1.3947 -1.3947 -1.1074 -1.1074 -0.6932 -0.6932 -0.4750 -0.4750 -0.2627 -0.2627 0.1569 0.1569 0.2946 0.2946 0.3727 0.3727 1.4383 1.4383 1.4570 1.4570 1.4889 1.4889 1.7344 1.7344 4.8198 4.8198 5.0225 5.0225 5.0522 5.0522 5.1096 5.1096 5.1869 5.1869 5.4491 5.4491 5.5250 5.5250 5.9801 5.9801 6.2328 6.2328 6.7760 6.7760 14.1467 14.1467 14.6452 14.6452 15.6211 15.6211 k = 0.2500 0.2500 0.7539 ( 2674 PWs) bands (ev): -17.8118 -17.8118 -17.7769 -17.7769 -17.6380 -17.6380 -17.6010 -17.6010 -1.3759 -1.3759 -1.0754 -1.0754 -0.6924 -0.6924 -0.4536 -0.4536 -0.3038 -0.3038 0.1620 0.1620 0.3009 0.3009 0.3717 0.3717 1.4245 1.4245 1.4417 1.4417 1.4694 1.4694 1.7169 1.7169 4.8234 4.8234 5.0227 5.0227 5.0529 5.0529 5.1113 5.1113 5.1895 5.1895 5.4523 5.4523 5.5231 5.5231 5.9807 5.9807 6.2276 6.2276 6.7735 6.7735 14.1277 14.1277 14.5910 14.5910 15.7043 15.7043 k = 0.2396 0.2396 0.7539 ( 2678 PWs) bands (ev): -17.8133 -17.8133 -17.7792 -17.7792 -17.6358 -17.6358 -17.5998 -17.5998 -1.3561 -1.3561 -1.0437 -1.0437 -0.6918 -0.6918 -0.4317 -0.4317 -0.3447 -0.3447 0.1679 0.1679 0.3055 0.3055 0.3707 0.3707 1.4102 1.4102 1.4271 1.4271 1.4509 1.4509 1.6983 1.6983 4.8284 4.8284 5.0231 5.0231 5.0536 5.0536 5.1131 5.1131 5.1924 5.1924 5.4546 5.4546 5.5231 5.5231 5.9812 5.9812 6.2221 6.2221 6.7679 6.7679 14.1090 14.1090 14.5373 14.5373 15.7910 15.7910 k = 0.2292 0.2292 0.7539 ( 2678 PWs) bands (ev): -17.8148 -17.8148 -17.7818 -17.7818 -17.6334 -17.6334 -17.5985 -17.5985 -1.3355 -1.3355 -1.0126 -1.0126 -0.6912 -0.6912 -0.4093 -0.4093 -0.3851 -0.3851 0.1746 0.1746 0.3080 0.3080 0.3697 0.3697 1.3952 1.3952 1.4135 1.4135 1.4336 1.4336 1.6787 1.6787 4.8347 4.8347 5.0236 5.0236 5.0543 5.0543 5.1151 5.1151 5.1957 5.1957 5.4558 5.4558 5.5251 5.5251 5.9818 5.9818 6.2162 6.2162 6.7592 6.7592 14.0908 14.0908 14.4848 14.4848 15.8805 15.8805 k = 0.2188 0.2187 0.7539 ( 2682 PWs) bands (ev): -17.8162 -17.8162 -17.7847 -17.7847 -17.6307 -17.6307 -17.5973 -17.5973 -1.3140 -1.3140 -0.9822 -0.9822 -0.6907 -0.6907 -0.4251 -0.4251 -0.3862 -0.3862 0.1819 0.1819 0.3081 0.3081 0.3688 0.3688 1.3797 1.3797 1.4007 1.4007 1.4178 1.4178 1.6583 1.6583 4.8423 4.8423 5.0242 5.0242 5.0549 5.0549 5.1171 5.1171 5.1993 5.1993 5.4560 5.4560 5.5289 5.5289 5.9823 5.9823 6.2101 6.2101 6.7475 6.7475 14.0730 14.0730 14.4336 14.4336 15.9722 15.9722 k = 0.2083 0.2083 0.7539 ( 2678 PWs) bands (ev): -17.8176 -17.8176 -17.7878 -17.7878 -17.6277 -17.6277 -17.5961 -17.5961 -1.2917 -1.2917 -0.9527 -0.9527 -0.6903 -0.6903 -0.4641 -0.4641 -0.3630 -0.3630 0.1900 0.1900 0.3059 0.3059 0.3678 0.3678 1.3641 1.3641 1.3884 1.3884 1.4035 1.4035 1.6373 1.6373 4.8510 4.8510 5.0250 5.0250 5.0555 5.0555 5.1192 5.1192 5.2034 5.2034 5.4553 5.4553 5.5348 5.5348 5.9829 5.9829 6.2037 6.2037 6.7329 6.7329 14.0557 14.0557 14.3841 14.3841 16.0658 16.0658 k = 0.1979 0.1979 0.7539 ( 2678 PWs) bands (ev): -17.8190 -17.8190 -17.7910 -17.7910 -17.6246 -17.6246 -17.5949 -17.5949 -1.2687 -1.2687 -0.9243 -0.9243 -0.6899 -0.6899 -0.5021 -0.5021 -0.3394 -0.3394 0.1986 0.1986 0.3010 0.3010 0.3670 0.3670 1.3485 1.3485 1.3766 1.3766 1.3911 1.3911 1.6158 1.6158 4.8609 4.8609 5.0258 5.0258 5.0560 5.0560 5.1213 5.1213 5.2078 5.2078 5.4536 5.4536 5.5425 5.5425 5.9834 5.9834 6.1970 6.1970 6.7154 6.7154 14.0390 14.0390 14.3363 14.3363 16.1609 16.1609 k = 0.1875 0.1875 0.7539 ( 2678 PWs) bands (ev): -17.8204 -17.8204 -17.7944 -17.7944 -17.6214 -17.6214 -17.5937 -17.5937 -1.2450 -1.2450 -0.8972 -0.8972 -0.6894 -0.6894 -0.5388 -0.5388 -0.3156 -0.3156 0.2079 0.2079 0.2935 0.2935 0.3661 0.3661 1.3331 1.3331 1.3650 1.3650 1.3804 1.3804 1.5941 1.5941 4.8717 4.8717 5.0268 5.0268 5.0566 5.0566 5.1235 5.1235 5.2126 5.2126 5.4509 5.4509 5.5522 5.5522 5.9838 5.9838 6.1902 6.1902 6.6952 6.6952 14.0229 14.0229 14.2905 14.2905 16.2570 16.2570 k = 0.1771 0.1771 0.7539 ( 2678 PWs) bands (ev): -17.8217 -17.8217 -17.7977 -17.7977 -17.6181 -17.6181 -17.5925 -17.5925 -1.2208 -1.2208 -0.8717 -0.8717 -0.6889 -0.6889 -0.5741 -0.5741 -0.2918 -0.2918 0.2177 0.2177 0.2834 0.2834 0.3653 0.3653 1.3181 1.3181 1.3536 1.3536 1.3717 1.3717 1.5722 1.5722 4.8836 4.8836 5.0277 5.0277 5.0571 5.0571 5.1258 5.1258 5.2176 5.2176 5.4472 5.4472 5.5639 5.5639 5.9843 5.9843 6.1832 6.1832 6.6723 6.6723 14.0075 14.0075 14.2467 14.2467 16.3537 16.3537 k = 0.1667 0.1667 0.7539 ( 2666 PWs) bands (ev): -17.8230 -17.8230 -17.8011 -17.8011 -17.6147 -17.6147 -17.5914 -17.5914 -1.1961 -1.1961 -0.8480 -0.8480 -0.6882 -0.6882 -0.6075 -0.6075 -0.2678 -0.2678 0.2278 0.2278 0.2709 0.2709 0.3645 0.3645 1.3035 1.3035 1.3421 1.3421 1.3648 1.3648 1.5506 1.5506 4.8963 4.8963 5.0288 5.0288 5.0577 5.0577 5.1280 5.1280 5.2230 5.2230 5.4426 5.4426 5.5776 5.5776 5.9848 5.9848 6.1761 6.1761 6.6470 6.6470 13.9927 13.9927 14.2051 14.2051 16.4505 16.4505 k = 0.1562 0.1562 0.7539 ( 2670 PWs) bands (ev): -17.8242 -17.8242 -17.8045 -17.8045 -17.6114 -17.6114 -17.5904 -17.5904 -1.1712 -1.1712 -0.8266 -0.8266 -0.6874 -0.6874 -0.6385 -0.6385 -0.2440 -0.2440 0.2376 0.2376 0.2567 0.2567 0.3638 0.3638 1.2893 1.2893 1.3305 1.3305 1.3597 1.3597 1.5294 1.5294 4.9095 4.9095 5.0298 5.0298 5.0582 5.0582 5.1302 5.1302 5.2285 5.2285 5.4370 5.4370 5.5932 5.5932 5.9852 5.9852 6.1689 6.1689 6.6193 6.6193 13.9787 13.9787 14.1658 14.1658 16.5471 16.5471 k = 0.1458 0.1458 0.7539 ( 2674 PWs) bands (ev): -17.8254 -17.8254 -17.8078 -17.8078 -17.6082 -17.6082 -17.5894 -17.5894 -1.1461 -1.1461 -0.8084 -0.8084 -0.6864 -0.6864 -0.6663 -0.6663 -0.2205 -0.2205 0.2354 0.2354 0.2524 0.2524 0.3631 0.3631 1.2758 1.2758 1.3187 1.3187 1.3563 1.3563 1.5089 1.5089 4.9235 4.9235 5.0308 5.0308 5.0588 5.0588 5.1323 5.1323 5.2342 5.2342 5.4306 5.4306 5.6107 5.6107 5.9856 5.9856 6.1617 6.1617 6.5894 6.5894 13.9655 13.9655 14.1287 14.1287 16.6430 16.6430 k = 0.1354 0.1354 0.7539 ( 2678 PWs) bands (ev): -17.8265 -17.8265 -17.8111 -17.8111 -17.6050 -17.6050 -17.5884 -17.5884 -1.1211 -1.1211 -0.7952 -0.7952 -0.6903 -0.6903 -0.6838 -0.6838 -0.1973 -0.1973 0.2172 0.2172 0.2624 0.2624 0.3625 0.3625 1.2629 1.2629 1.3065 1.3065 1.3544 1.3544 1.4894 1.4894 4.9378 4.9378 5.0318 5.0318 5.0594 5.0594 5.1343 5.1343 5.2400 5.2400 5.4233 5.4233 5.6301 5.6301 5.9860 5.9860 6.1546 6.1546 6.5575 6.5575 13.9531 13.9531 14.0940 14.0940 16.7376 16.7376 k = 0.1250 0.1250 0.7539 ( 2674 PWs) bands (ev): -17.8276 -17.8276 -17.8142 -17.8142 -17.6019 -17.6019 -17.5875 -17.5875 -1.0963 -1.0963 -0.7905 -0.7905 -0.7036 -0.7036 -0.6827 -0.6827 -0.1746 -0.1746 0.1963 0.1963 0.2734 0.2734 0.3619 0.3619 1.2508 1.2508 1.2940 1.2940 1.3538 1.3538 1.4712 1.4712 4.9524 4.9524 5.0328 5.0328 5.0603 5.0603 5.1362 5.1362 5.2459 5.2459 5.4153 5.4153 5.6514 5.6514 5.9864 5.9864 6.1476 6.1476 6.5239 6.5239 13.9415 13.9415 14.0617 14.0617 16.8303 16.8303 k = 0.1146 0.1146 0.7539 ( 2674 PWs) bands (ev): -17.8286 -17.8286 -17.8171 -17.8171 -17.5989 -17.5989 -17.5866 -17.5866 -1.0720 -1.0720 -0.7969 -0.7969 -0.7062 -0.7062 -0.6805 -0.6805 -0.1526 -0.1526 0.1740 0.1740 0.2844 0.2844 0.3614 0.3614 1.2394 1.2394 1.2812 1.2812 1.3543 1.3543 1.4545 1.4545 4.9669 4.9669 5.0338 5.0338 5.0615 5.0615 5.1380 5.1380 5.2518 5.2518 5.4066 5.4066 5.6746 5.6746 5.9868 5.9868 6.1408 6.1408 6.4887 6.4887 13.9308 13.9308 14.0319 14.0319 16.9206 16.9206 k = 0.1042 0.1042 0.7539 ( 2682 PWs) bands (ev): -17.8295 -17.8295 -17.8199 -17.8199 -17.5962 -17.5962 -17.5858 -17.5858 -1.0485 -1.0485 -0.8113 -0.8113 -0.7005 -0.7005 -0.6778 -0.6778 -0.1316 -0.1316 0.1507 0.1507 0.2953 0.2953 0.3609 0.3609 1.2288 1.2288 1.2680 1.2680 1.3557 1.3557 1.4393 1.4393 4.9812 4.9812 5.0346 5.0346 5.0630 5.0630 5.1395 5.1395 5.2576 5.2576 5.3973 5.3973 5.6994 5.6994 5.9871 5.9871 6.1342 6.1342 6.4521 6.4521 13.9209 13.9209 14.0046 14.0046 17.0077 17.0077 k = 0.0938 0.0937 0.7539 ( 2682 PWs) bands (ev): -17.8304 -17.8304 -17.8225 -17.8225 -17.5936 -17.5936 -17.5851 -17.5851 -1.0261 -1.0261 -0.8285 -0.8285 -0.6915 -0.6915 -0.6746 -0.6746 -0.1115 -0.1115 0.1270 0.1270 0.3057 0.3057 0.3605 0.3605 1.2192 1.2192 1.2548 1.2548 1.3576 1.3576 1.4259 1.4259 4.9947 4.9947 5.0355 5.0355 5.0654 5.0654 5.1409 5.1409 5.2632 5.2632 5.3875 5.3875 5.7260 5.7260 5.9874 5.9874 6.1280 6.1280 6.4144 6.4144 13.9119 13.9119 13.9798 13.9798 17.0909 17.0910 k = 0.0833 0.0833 0.7539 ( 2682 PWs) bands (ev): -17.8311 -17.8311 -17.8248 -17.8248 -17.5912 -17.5912 -17.5844 -17.5844 -1.0051 -1.0051 -0.8458 -0.8458 -0.6819 -0.6819 -0.6708 -0.6708 -0.0928 -0.0928 0.1033 0.1033 0.3157 0.3157 0.3601 0.3601 1.2104 1.2104 1.2416 1.2416 1.3600 1.3600 1.4143 1.4143 5.0069 5.0069 5.0363 5.0363 5.0689 5.0689 5.1420 5.1420 5.2687 5.2687 5.3773 5.3773 5.7543 5.7543 5.9876 5.9876 6.1222 6.1222 6.3757 6.3757 13.9039 13.9039 13.9576 13.9576 17.1694 17.1694 k = 0.0729 0.0729 0.7539 ( 2684 PWs) bands (ev): -17.8318 -17.8318 -17.8269 -17.8269 -17.5891 -17.5891 -17.5838 -17.5838 -0.9858 -0.9858 -0.8620 -0.8620 -0.6727 -0.6727 -0.6665 -0.6665 -0.0755 -0.0755 0.0803 0.0803 0.3248 0.3248 0.3598 0.3598 1.2025 1.2025 1.2288 1.2288 1.3626 1.3626 1.4043 1.4043 5.0173 5.0173 5.0370 5.0370 5.0739 5.0739 5.1428 5.1428 5.2739 5.2739 5.3669 5.3669 5.7841 5.7841 5.9879 5.9879 6.1168 6.1168 6.3364 6.3364 13.8967 13.8967 13.9379 13.9379 17.2422 17.2422 k = 0.0625 0.0625 0.7539 ( 2672 PWs) bands (ev): -17.8324 -17.8324 -17.8288 -17.8288 -17.5872 -17.5872 -17.5833 -17.5833 -0.9685 -0.9685 -0.8765 -0.8765 -0.6644 -0.6644 -0.6617 -0.6617 -0.0600 -0.0600 0.0585 0.0585 0.3331 0.3331 0.3595 0.3595 1.1957 1.1957 1.2168 1.2168 1.3653 1.3653 1.3960 1.3960 5.0252 5.0252 5.0376 5.0376 5.0809 5.0809 5.1434 5.1434 5.2788 5.2788 5.3565 5.3565 5.8152 5.8152 5.9882 5.9882 6.1121 6.1121 6.2968 6.2968 13.8905 13.8905 13.9208 13.9208 17.3083 17.3084 k = 0.0521 0.0521 0.7539 ( 2668 PWs) bands (ev): -17.8329 -17.8329 -17.8304 -17.8304 -17.5856 -17.5856 -17.5829 -17.5829 -0.9535 -0.9535 -0.8891 -0.8891 -0.6573 -0.6573 -0.6568 -0.6568 -0.0464 -0.0464 0.0384 0.0384 0.3405 0.3405 0.3593 0.3593 1.1899 1.1899 1.2059 1.2059 1.3678 1.3678 1.3892 1.3892 5.0308 5.0308 5.0382 5.0382 5.0895 5.0895 5.1434 5.1434 5.2835 5.2835 5.3463 5.3463 5.8475 5.8475 5.9884 5.9884 6.1079 6.1079 6.2572 6.2572 13.8852 13.8852 13.9063 13.9063 17.3668 17.3668 k = 0.0417 0.0417 0.7539 ( 2668 PWs) bands (ev): -17.8333 -17.8333 -17.8317 -17.8317 -17.5843 -17.5843 -17.5825 -17.5825 -0.9410 -0.9410 -0.8996 -0.8996 -0.6520 -0.6520 -0.6514 -0.6514 -0.0349 -0.0349 0.0209 0.0209 0.3466 0.3466 0.3591 0.3591 1.1851 1.1851 1.1964 1.1964 1.3700 1.3700 1.3837 1.3837 5.0344 5.0344 5.0387 5.0387 5.0990 5.0990 5.1429 5.1429 5.2878 5.2878 5.3364 5.3364 5.8805 5.8805 5.9885 5.9885 6.1044 6.1044 6.2179 6.2179 13.8809 13.8809 13.8945 13.8945 17.4165 17.4165 k = 0.0312 0.0312 0.7539 ( 2668 PWs) bands (ev): -17.8337 -17.8337 -17.8327 -17.8327 -17.5832 -17.5832 -17.5822 -17.5822 -0.9312 -0.9312 -0.9078 -0.9078 -0.6476 -0.6476 -0.6469 -0.6469 -0.0258 -0.0258 0.0064 0.0064 0.3515 0.3515 0.3589 0.3589 1.1813 1.1813 1.1887 1.1887 1.3719 1.3719 1.3796 1.3796 5.0367 5.0367 5.0390 5.0390 5.1086 5.1086 5.1416 5.1416 5.2920 5.2920 5.3273 5.3273 5.9136 5.9136 5.9886 5.9886 6.1016 6.1016 6.1799 6.1799 13.8775 13.8775 13.8852 13.8852 17.4565 17.4565 k = 0.0208 0.0208 0.7539 ( 2670 PWs) bands (ev): -17.8339 -17.8339 -17.8335 -17.8335 -17.5824 -17.5824 -17.5820 -17.5820 -0.9241 -0.9241 -0.9137 -0.9137 -0.6440 -0.6440 -0.6436 -0.6436 -0.0191 -0.0191 -0.0045 -0.0045 0.3551 0.3551 0.3588 0.3588 1.1787 1.1787 1.1829 1.1829 1.3733 1.3733 1.3767 1.3767 5.0380 5.0380 5.0392 5.0392 5.1174 5.1174 5.1394 5.1394 5.2962 5.2962 5.3191 5.3191 5.9453 5.9453 5.9887 5.9887 6.0997 6.0997 6.1445 6.1445 13.8751 13.8751 13.8786 13.8786 17.4863 17.4873 k = 0.0104 0.0104 0.7539 ( 2666 PWs) bands (ev): -17.8341 -17.8341 -17.8339 -17.8339 -17.5820 -17.5820 -17.5819 -17.5819 -0.9199 -0.9199 -0.9173 -0.9173 -0.6417 -0.6417 -0.6416 -0.6416 -0.0151 -0.0151 -0.0112 -0.0112 0.3573 0.3573 0.3587 0.3587 1.1774 1.1774 1.1791 1.1791 1.3741 1.3741 1.3750 1.3750 5.0388 5.0388 5.0393 5.0393 5.1251 5.1251 5.1361 5.1361 5.3008 5.3008 5.3120 5.3120 5.9721 5.9721 5.9884 5.9884 6.0988 6.0988 6.1157 6.1157 13.8736 13.8736 13.8747 13.8747 17.5036 17.5041 k = 0.0000 0.0000 0.7539 ( 2678 PWs) bands (ev): -17.8341 -17.8341 -17.8341 -17.8341 -17.5818 -17.5818 -17.5818 -17.5818 -0.9185 -0.9185 -0.9185 -0.9185 -0.6410 -0.6410 -0.6410 -0.6410 -0.0136 -0.0136 -0.0136 -0.0136 0.3583 0.3583 0.3583 0.3583 1.1774 1.1774 1.1774 1.1774 1.3744 1.3744 1.3744 1.3744 5.0392 5.0392 5.0392 5.0392 5.1313 5.1313 5.1313 5.1313 5.3059 5.3059 5.3059 5.3059 5.9860 5.9860 5.9860 5.9860 6.1008 6.1008 6.1008 6.1008 13.8733 13.8733 13.8733 13.8733 17.5098 17.5098 k = 0.0000 0.5000-0.0000 ( 2700 PWs) bands (ev): -18.0655 -18.0655 -18.0655 -18.0655 -17.5628 -17.5628 -17.5628 -17.5628 -1.2967 -1.2967 -1.2967 -1.2967 0.1004 0.1004 0.1004 0.1004 0.1533 0.1533 0.1533 0.1533 0.5994 0.5994 0.5994 0.5994 0.9428 0.9428 0.9428 0.9428 1.9380 1.9380 1.9380 1.9380 4.9163 4.9163 4.9163 4.9163 5.0267 5.0267 5.0267 5.0267 5.3577 5.3577 5.3577 5.3577 6.2565 6.2565 6.2565 6.2565 6.4203 6.4203 6.4203 6.4203 11.4192 11.4192 11.4192 11.4192 15.8535 15.8535 k = 0.0000 0.5000 0.0148 ( 2696 PWs) bands (ev): -18.0653 -18.0653 -18.0653 -18.0653 -17.5628 -17.5628 -17.5627 -17.5627 -1.2962 -1.2962 -1.2960 -1.2960 0.0976 0.0976 0.0986 0.0986 0.1531 0.1531 0.1560 0.1560 0.5975 0.5975 0.5997 0.5997 0.9426 0.9426 0.9431 0.9431 1.9378 1.9378 1.9385 1.9385 4.9159 4.9159 4.9172 4.9172 5.0266 5.0266 5.0270 5.0270 5.3560 5.3560 5.3593 5.3593 6.2526 6.2526 6.2581 6.2581 6.4189 6.4189 6.4225 6.4225 11.4213 11.4213 11.4215 11.4215 15.8555 15.8556 k = 0.0000 0.5000 0.0296 ( 2704 PWs) bands (ev): -18.0647 -18.0647 -18.0646 -18.0646 -17.5629 -17.5629 -17.5628 -17.5628 -1.2947 -1.2947 -1.2943 -1.2943 0.0911 0.0911 0.0926 0.0926 0.1552 0.1552 0.1603 0.1603 0.5939 0.5939 0.5983 0.5983 0.9427 0.9427 0.9435 0.9435 1.9378 1.9378 1.9393 1.9393 4.9160 4.9160 4.9187 4.9187 5.0268 5.0268 5.0275 5.0275 5.3540 5.3540 5.3608 5.3608 6.2465 6.2465 6.2572 6.2572 6.4183 6.4183 6.4252 6.4252 11.4279 11.4279 11.4282 11.4282 15.8616 15.8617 k = 0.0000 0.5000 0.0443 ( 2700 PWs) bands (ev): -18.0636 -18.0636 -18.0635 -18.0635 -17.5630 -17.5630 -17.5628 -17.5628 -1.2922 -1.2922 -1.2916 -1.2916 0.0822 0.0822 0.0836 0.0836 0.1582 0.1582 0.1651 0.1651 0.5887 0.5887 0.5951 0.5951 0.9430 0.9430 0.9442 0.9442 1.9380 1.9380 1.9402 1.9402 4.9167 4.9167 4.9207 4.9207 5.0272 5.0272 5.0284 5.0284 5.3519 5.3519 5.3620 5.3620 6.2384 6.2384 6.2537 6.2537 6.4187 6.4187 6.4284 6.4284 11.4389 11.4389 11.4393 11.4393 15.8718 15.8719 k = 0.0000 0.5000 0.0591 ( 2700 PWs) bands (ev): -18.0621 -18.0621 -18.0620 -18.0620 -17.5632 -17.5632 -17.5629 -17.5629 -1.2885 -1.2885 -1.2878 -1.2878 0.0716 0.0716 0.0727 0.0727 0.1610 0.1610 0.1692 0.1692 0.5819 0.5819 0.5903 0.5903 0.9438 0.9438 0.9453 0.9453 1.9384 1.9384 1.9413 1.9413 4.9179 4.9179 4.9232 4.9232 5.0280 5.0280 5.0294 5.0294 5.3496 5.3496 5.3631 5.3631 6.2283 6.2283 6.2476 6.2476 6.4202 6.4202 6.4320 6.4320 11.4542 11.4542 11.4548 11.4548 15.8860 15.8861 k = 0.0000 0.5000 0.0739 ( 2696 PWs) bands (ev): -18.0602 -18.0602 -18.0601 -18.0601 -17.5634 -17.5634 -17.5631 -17.5631 -1.2839 -1.2839 -1.2829 -1.2829 0.0600 0.0600 0.0606 0.0606 0.1629 0.1629 0.1723 0.1723 0.5735 0.5735 0.5837 0.5837 0.9453 0.9453 0.9470 0.9470 1.9389 1.9389 1.9424 1.9424 4.9195 4.9195 4.9261 4.9261 5.0290 5.0290 5.0307 5.0307 5.3472 5.3472 5.3641 5.3641 6.2165 6.2165 6.2390 6.2390 6.4228 6.4228 6.4360 6.4360 11.4739 11.4739 11.4746 11.4746 15.9038 15.9044 k = 0.0000 0.5000 0.0887 ( 2702 PWs) bands (ev): -18.0578 -18.0578 -18.0577 -18.0577 -17.5637 -17.5637 -17.5632 -17.5632 -1.2782 -1.2782 -1.2770 -1.2770 0.0475 0.0475 0.0475 0.0475 0.1632 0.1632 0.1737 0.1737 0.5637 0.5637 0.5755 0.5755 0.9477 0.9477 0.9496 0.9496 1.9394 1.9394 1.9435 1.9435 4.9213 4.9213 4.9294 4.9294 5.0302 5.0302 5.0321 5.0321 5.3446 5.3446 5.3649 5.3649 6.2029 6.2029 6.2280 6.2280 6.4264 6.4264 6.4403 6.4403 11.4978 11.4978 11.4986 11.4986 15.9258 15.9265 k = 0.0000 0.5000 0.1035 ( 2698 PWs) bands (ev): -18.0551 -18.0551 -18.0549 -18.0549 -17.5640 -17.5640 -17.5635 -17.5635 -1.2715 -1.2715 -1.2702 -1.2702 0.0339 0.0339 0.0344 0.0344 0.1618 0.1618 0.1731 0.1731 0.5527 0.5527 0.5658 0.5658 0.9511 0.9511 0.9530 0.9530 1.9399 1.9399 1.9445 1.9445 4.9235 4.9235 4.9329 4.9329 5.0318 5.0318 5.0338 5.0338 5.3419 5.3419 5.3657 5.3657 6.1878 6.1878 6.2147 6.2147 6.4309 6.4309 6.4450 6.4450 11.5258 11.5258 11.5267 11.5267 15.9513 15.9523 k = 0.0000 0.5000 0.1183 ( 2690 PWs) bands (ev): -18.0519 -18.0519 -18.0517 -18.0517 -17.5643 -17.5643 -17.5637 -17.5637 -1.2638 -1.2638 -1.2623 -1.2623 0.0198 0.0198 0.0209 0.0209 0.1583 0.1583 0.1703 0.1703 0.5407 0.5407 0.5548 0.5548 0.9557 0.9557 0.9576 0.9576 1.9403 1.9403 1.9453 1.9453 4.9258 4.9258 4.9366 4.9366 5.0338 5.0338 5.0358 5.0358 5.3391 5.3391 5.3664 5.3664 6.1711 6.1711 6.1993 6.1993 6.4365 6.4365 6.4501 6.4501 11.5579 11.5579 11.5589 11.5589 15.9806 15.9818 k = 0.0000 0.5000 0.1330 ( 2694 PWs) bands (ev): -18.0484 -18.0484 -18.0481 -18.0481 -17.5647 -17.5647 -17.5640 -17.5640 -1.2552 -1.2552 -1.2535 -1.2535 0.0052 0.0052 0.0069 0.0069 0.1525 0.1525 0.1650 0.1650 0.5281 0.5281 0.5428 0.5428 0.9615 0.9615 0.9633 0.9633 1.9404 1.9404 1.9458 1.9458 4.9281 4.9281 4.9404 4.9404 5.0360 5.0360 5.0379 5.0379 5.3362 5.3362 5.3671 5.3671 6.1530 6.1530 6.1821 6.1821 6.4427 6.4427 6.4555 6.4555 11.5938 11.5938 11.5949 11.5949 16.0130 16.0143 k = 0.0000 0.5000 0.1478 ( 2690 PWs) bands (ev): -18.0444 -18.0444 -18.0441 -18.0441 -17.5651 -17.5651 -17.5644 -17.5644 -1.2457 -1.2457 -1.2437 -1.2437 -0.0098 -0.0098 -0.0076 -0.0076 0.1442 0.1442 0.1570 0.1570 0.5152 0.5152 0.5303 0.5303 0.9686 0.9686 0.9702 0.9702 1.9401 1.9401 1.9459 1.9459 4.9304 4.9304 4.9440 4.9440 5.0386 5.0386 5.0402 5.0402 5.3332 5.3332 5.3677 5.3677 6.1337 6.1337 6.1633 6.1633 6.4498 6.4498 6.4615 6.4615 11.6336 11.6336 11.6348 11.6348 16.0488 16.0509 k = 0.0000 0.5000 0.1626 ( 2694 PWs) bands (ev): -18.0401 -18.0401 -18.0398 -18.0398 -17.5656 -17.5656 -17.5648 -17.5648 -1.2352 -1.2352 -1.2331 -1.2331 -0.0253 -0.0253 -0.0226 -0.0226 0.1334 0.1334 0.1462 0.1462 0.5024 0.5024 0.5174 0.5174 0.9769 0.9769 0.9783 0.9783 1.9395 1.9395 1.9456 1.9456 4.9326 4.9326 4.9474 4.9474 5.0416 5.0416 5.0427 5.0427 5.3303 5.3303 5.3684 5.3684 6.1132 6.1132 6.1429 6.1429 6.4574 6.4574 6.4678 6.4678 11.6770 11.6770 11.6782 11.6782 16.0875 16.0875 k = 0.0000 0.5000 0.1774 ( 2690 PWs) bands (ev): -18.0354 -18.0354 -18.0351 -18.0351 -17.5661 -17.5661 -17.5653 -17.5653 -1.2239 -1.2239 -1.2216 -1.2216 -0.0415 -0.0415 -0.0383 -0.0383 0.1203 0.1203 0.1328 0.1328 0.4900 0.4900 0.5047 0.5047 0.9864 0.9864 0.9875 0.9875 1.9385 1.9385 1.9447 1.9447 4.9345 4.9345 4.9505 4.9505 5.0449 5.0449 5.0453 5.0453 5.3273 5.3273 5.3691 5.3691 6.0917 6.0917 6.1214 6.1214 6.4658 6.4658 6.4747 6.4747 11.7240 11.7240 11.7252 11.7252 16.1291 16.1291 k = 0.0000 0.5000 0.1922 ( 2690 PWs) bands (ev): -18.0303 -18.0303 -18.0300 -18.0300 -17.5667 -17.5667 -17.5658 -17.5658 -1.2118 -1.2118 -1.2093 -1.2093 -0.0585 -0.0585 -0.0549 -0.0549 0.1051 0.1051 0.1172 0.1172 0.4783 0.4783 0.4923 0.4923 0.9968 0.9968 0.9977 0.9977 1.9369 1.9369 1.9433 1.9433 4.9360 4.9360 4.9532 4.9532 5.0481 5.0481 5.0486 5.0486 5.3245 5.3245 5.3699 5.3699 6.0694 6.0694 6.0988 6.0988 6.4747 6.4747 6.4820 6.4820 11.7743 11.7743 11.7756 11.7756 16.1731 16.1731 k = 0.0000 0.5000 0.2070 ( 2688 PWs) bands (ev): -18.0249 -18.0249 -18.0245 -18.0245 -17.5673 -17.5673 -17.5664 -17.5664 -1.1990 -1.1990 -1.1963 -1.1963 -0.0767 -0.0767 -0.0727 -0.0727 0.0883 0.0883 0.0997 0.0997 0.4673 0.4673 0.4804 0.4804 1.0082 1.0082 1.0088 1.0088 1.9348 1.9348 1.9412 1.9412 4.9371 4.9371 4.9553 4.9553 5.0509 5.0509 5.0526 5.0526 5.3217 5.3217 5.3707 5.3707 6.0463 6.0463 6.0753 6.0753 6.4841 6.4841 6.4898 6.4898 11.8279 11.8279 11.8292 11.8292 16.2193 16.2193 k = 0.0000 0.5000 0.2217 ( 2692 PWs) bands (ev): -18.0192 -18.0192 -18.0188 -18.0188 -17.5681 -17.5681 -17.5671 -17.5671 -1.1854 -1.1854 -1.1825 -1.1825 -0.0966 -0.0966 -0.0922 -0.0922 0.0705 0.0705 0.0813 0.0813 0.4572 0.4572 0.4692 0.4692 1.0204 1.0204 1.0207 1.0207 1.9321 1.9321 1.9385 1.9385 4.9377 4.9377 4.9567 4.9567 5.0539 5.0539 5.0569 5.0569 5.3192 5.3192 5.3717 5.3717 6.0227 6.0227 6.0511 6.0511 6.4940 6.4940 6.4981 6.4981 11.8846 11.8846 11.8859 11.8859 16.2674 16.2676 k = 0.0000 0.5000 0.2365 ( 2688 PWs) bands (ev): -18.0131 -18.0131 -18.0127 -18.0127 -17.5689 -17.5689 -17.5679 -17.5679 -1.1711 -1.1711 -1.1681 -1.1681 -0.1186 -0.1186 -0.1138 -0.1138 0.0527 0.0527 0.0626 0.0626 0.4477 0.4477 0.4585 0.4585 1.0332 1.0332 1.0333 1.0333 1.9287 1.9287 1.9351 1.9351 4.9377 4.9377 4.9576 4.9576 5.0569 5.0569 5.0615 5.0615 5.3168 5.3168 5.3729 5.3729 5.9987 5.9987 6.0265 6.0265 6.5043 6.5043 6.5068 6.5068 11.9442 11.9442 11.9455 11.9455 16.3170 16.3170 k = 0.0000 0.5000 0.2513 ( 2690 PWs) bands (ev): -18.0068 -18.0068 -18.0063 -18.0063 -17.5697 -17.5697 -17.5687 -17.5687 -1.1563 -1.1563 -1.1530 -1.1530 -0.1431 -0.1431 -0.1382 -0.1382 0.0355 0.0355 0.0448 0.0448 0.4389 0.4389 0.4484 0.4484 1.0464 1.0464 1.0465 1.0465 1.9248 1.9248 1.9310 1.9310 4.9371 4.9371 4.9576 4.9576 5.0599 5.0599 5.0662 5.0662 5.3147 5.3147 5.3741 5.3741 5.9745 5.9745 6.0015 6.0015 6.5151 6.5151 6.5159 6.5159 12.0066 12.0066 12.0079 12.0079 16.3676 16.3676 k = 0.0000 0.5000 0.2661 ( 2682 PWs) bands (ev): -18.0002 -18.0002 -17.9996 -17.9996 -17.5707 -17.5707 -17.5696 -17.5696 -1.1409 -1.1409 -1.1375 -1.1375 -0.1704 -0.1704 -0.1654 -0.1654 0.0198 0.0198 0.0284 0.0284 0.4306 0.4306 0.4388 0.4388 1.0600 1.0600 1.0602 1.0602 1.9202 1.9202 1.9262 1.9262 4.9359 4.9359 4.9570 4.9570 5.0628 5.0628 5.0710 5.0710 5.3128 5.3128 5.3756 5.3756 5.9502 5.9502 5.9763 5.9763 6.5254 6.5254 6.5262 6.5262 12.0717 12.0717 12.0729 12.0729 16.4187 16.4187 k = 0.0000 0.5000 0.2809 ( 2684 PWs) bands (ev): -17.9933 -17.9933 -17.9927 -17.9927 -17.5717 -17.5717 -17.5706 -17.5706 -1.1250 -1.1250 -1.1214 -1.1214 -0.2005 -0.2005 -0.1957 -0.1957 0.0059 0.0059 0.0141 0.0141 0.4225 0.4225 0.4295 0.4295 1.0739 1.0739 1.0742 1.0742 1.9151 1.9151 1.9208 1.9208 4.9340 4.9340 4.9557 4.9557 5.0657 5.0657 5.0759 5.0759 5.3113 5.3113 5.3772 5.3772 5.9259 5.9259 5.9510 5.9510 6.5353 6.5353 6.5376 6.5376 12.1393 12.1393 12.1404 12.1404 16.4697 16.4697 k = 0.0000 0.5000 0.2957 ( 2688 PWs) bands (ev): -17.9861 -17.9861 -17.9855 -17.9855 -17.5728 -17.5728 -17.5717 -17.5717 -1.1088 -1.1088 -1.1050 -1.1050 -0.2333 -0.2333 -0.2287 -0.2287 -0.0059 -0.0059 0.0020 0.0020 0.4146 0.4146 0.4204 0.4204 1.0879 1.0879 1.0883 1.0883 1.9093 1.9093 1.9147 1.9147 4.9315 4.9315 4.9535 4.9535 5.0683 5.0683 5.0806 5.0806 5.3101 5.3101 5.3789 5.3789 5.9018 5.9018 5.9258 5.9258 6.5455 6.5455 6.5493 6.5493 12.2093 12.2093 12.2103 12.2103 16.5200 16.5200 k = 0.0000 0.5000 0.3104 ( 2684 PWs) bands (ev): -17.9787 -17.9787 -17.9781 -17.9781 -17.5740 -17.5740 -17.5728 -17.5728 -1.0922 -1.0922 -1.0882 -1.0882 -0.2684 -0.2684 -0.2640 -0.2640 -0.0155 -0.0155 -0.0079 -0.0079 0.4067 0.4067 0.4113 0.4113 1.1021 1.1021 1.1025 1.1025 1.9030 1.9030 1.9080 1.9080 4.9283 4.9283 4.9508 4.9508 5.0708 5.0708 5.0852 5.0852 5.3093 5.3093 5.3809 5.3809 5.8781 5.8781 5.9009 5.9009 6.5560 6.5560 6.5612 6.5612 12.2815 12.2815 12.2824 12.2824 16.5689 16.5689 k = 0.0000 0.5000 0.3252 ( 2684 PWs) bands (ev): -17.9711 -17.9711 -17.9704 -17.9704 -17.5753 -17.5753 -17.5741 -17.5741 -1.0753 -1.0753 -1.0711 -1.0711 -0.3052 -0.3052 -0.3013 -0.3013 -0.0232 -0.0232 -0.0157 -0.0157 0.3988 0.3988 0.4023 0.4023 1.1163 1.1163 1.1166 1.1166 1.8962 1.8962 1.9007 1.9007 4.9245 4.9245 4.9473 4.9473 5.0730 5.0730 5.0896 5.0896 5.3089 5.3089 5.3831 5.3831 5.8549 5.8549 5.8763 5.8763 6.5667 6.5667 6.5733 6.5733 12.3558 12.3558 12.3567 12.3567 16.6155 16.6155 k = 0.0000 0.5000 0.3400 ( 2684 PWs) bands (ev): -17.9633 -17.9633 -17.9626 -17.9626 -17.5767 -17.5767 -17.5755 -17.5755 -1.0583 -1.0583 -1.0539 -1.0539 -0.3434 -0.3434 -0.3398 -0.3398 -0.0291 -0.0291 -0.0216 -0.0216 0.3907 0.3907 0.3931 0.3931 1.1303 1.1303 1.1306 1.1306 1.8890 1.8890 1.8929 1.8929 4.9201 4.9201 4.9431 4.9431 5.0749 5.0749 5.0938 5.0938 5.3089 5.3089 5.3854 5.3854 5.8322 5.8322 5.8522 5.8522 6.5777 6.5777 6.5855 6.5855 12.4322 12.4322 12.4328 12.4328 16.6587 16.6587 k = 0.0000 0.5000 0.3548 ( 2684 PWs) bands (ev): -17.9554 -17.9554 -17.9545 -17.9545 -17.5782 -17.5782 -17.5770 -17.5770 -1.0413 -1.0413 -1.0367 -1.0367 -0.3825 -0.3825 -0.3793 -0.3793 -0.0333 -0.0333 -0.0258 -0.0258 0.3824 0.3824 0.3838 0.3838 1.1442 1.1442 1.1443 1.1443 1.8813 1.8813 1.8847 1.8847 4.9151 4.9151 4.9384 4.9384 5.0765 5.0765 5.0976 5.0976 5.3092 5.3092 5.3879 5.3879 5.8103 5.8103 5.8287 5.8287 6.5887 6.5887 6.5978 6.5978 12.5103 12.5103 12.5109 12.5109 16.6976 16.6976 k = 0.0000 0.5000 0.3696 ( 2692 PWs) bands (ev): -17.9473 -17.9473 -17.9464 -17.9464 -17.5798 -17.5798 -17.5786 -17.5786 -1.0244 -1.0244 -1.0195 -1.0195 -0.4219 -0.4219 -0.4191 -0.4191 -0.0358 -0.0358 -0.0284 -0.0284 0.3739 0.3739 0.3742 0.3742 1.1576 1.1576 1.1577 1.1577 1.8734 1.8734 1.8760 1.8760 4.9096 4.9096 4.9331 4.9331 5.0778 5.0778 5.1010 5.1010 5.3100 5.3100 5.3905 5.3905 5.7890 5.7890 5.8058 5.8058 6.5999 6.5999 6.6102 6.6102 12.5902 12.5902 12.5907 12.5907 16.7308 16.7308 k = 0.0000 0.5000 0.3844 ( 2684 PWs) bands (ev): -17.9390 -17.9390 -17.9381 -17.9381 -17.5815 -17.5815 -17.5803 -17.5803 -1.0076 -1.0076 -1.0025 -1.0025 -0.4613 -0.4613 -0.4589 -0.4589 -0.0370 -0.0370 -0.0297 -0.0297 0.3645 0.3645 0.3652 0.3652 1.1704 1.1704 1.1708 1.1708 1.8651 1.8651 1.8671 1.8671 4.9037 4.9037 4.9273 4.9273 5.0787 5.0787 5.1041 5.1041 5.3111 5.3111 5.3933 5.3933 5.7687 5.7687 5.7836 5.7836 6.6112 6.6112 6.6226 6.6226 12.6718 12.6718 12.6720 12.6720 16.7571 16.7571 k = 0.0000 0.5000 0.3991 ( 2684 PWs) bands (ev): -17.9306 -17.9306 -17.9296 -17.9296 -17.5834 -17.5834 -17.5821 -17.5821 -0.9913 -0.9913 -0.9859 -0.9859 -0.5002 -0.5002 -0.4983 -0.4983 -0.0369 -0.0369 -0.0296 -0.0296 0.3545 0.3545 0.3562 0.3562 1.1827 1.1827 1.1834 1.1834 1.8567 1.8567 1.8579 1.8579 4.8973 4.8973 4.9211 4.9211 5.0791 5.0791 5.1068 5.1068 5.3126 5.3126 5.3961 5.3961 5.7494 5.7494 5.7623 5.7623 6.6225 6.6225 6.6349 6.6349 12.7549 12.7549 12.7549 12.7549 16.7751 16.7751 k = 0.0000 0.5000 0.4139 ( 2678 PWs) bands (ev): -17.9222 -17.9222 -17.9211 -17.9211 -17.5853 -17.5853 -17.5840 -17.5840 -0.9756 -0.9756 -0.9699 -0.9699 -0.5383 -0.5383 -0.5369 -0.5369 -0.0356 -0.0356 -0.0285 -0.0285 0.3443 0.3443 0.3471 0.3471 1.1944 1.1944 1.1954 1.1954 1.8483 1.8483 1.8486 1.8486 4.8906 4.8906 4.9145 4.9145 5.0792 5.0792 5.1090 5.1090 5.3144 5.3144 5.3990 5.3990 5.7310 5.7310 5.7419 5.7419 6.6337 6.6337 6.6472 6.6472 12.8393 12.8393 12.8393 12.8393 16.7838 16.7838 k = 0.0000 0.5000 0.4287 ( 2686 PWs) bands (ev): -17.9137 -17.9137 -17.9125 -17.9125 -17.5874 -17.5874 -17.5861 -17.5861 -0.9608 -0.9608 -0.9548 -0.9548 -0.5751 -0.5751 -0.5740 -0.5740 -0.0333 -0.0333 -0.0264 -0.0264 0.3340 0.3340 0.3378 0.3378 1.2053 1.2053 1.2067 1.2067 1.8392 1.8392 1.8398 1.8398 4.8835 4.8835 4.9075 4.9075 5.0788 5.0788 5.1108 5.1108 5.3165 5.3165 5.4020 5.4020 5.7137 5.7137 5.7224 5.7224 6.6449 6.6449 6.6592 6.6592 12.9249 12.9249 12.9251 12.9251 16.7820 16.7821 k = 0.0000 0.5000 0.4435 ( 2678 PWs) bands (ev): -17.9051 -17.9051 -17.9039 -17.9039 -17.5896 -17.5896 -17.5883 -17.5883 -0.9474 -0.9474 -0.9410 -0.9410 -0.6098 -0.6098 -0.6093 -0.6093 -0.0301 -0.0301 -0.0235 -0.0235 0.3236 0.3236 0.3285 0.3285 1.2154 1.2154 1.2172 1.2172 1.8299 1.8299 1.8314 1.8314 4.8763 4.8763 4.9003 4.9003 5.0781 5.0781 5.1122 5.1122 5.3188 5.3188 5.4050 5.4050 5.6975 5.6975 5.7040 5.7040 6.6559 6.6559 6.6711 6.6711 13.0117 13.0117 13.0122 13.0122 16.7692 16.7692 k = 0.0000 0.5000 0.4583 ( 2690 PWs) bands (ev): -17.8965 -17.8965 -17.8953 -17.8953 -17.5919 -17.5919 -17.5907 -17.5907 -0.9359 -0.9359 -0.9292 -0.9292 -0.6419 -0.6419 -0.6418 -0.6418 -0.0262 -0.0262 -0.0199 -0.0199 0.3131 0.3131 0.3192 0.3192 1.2245 1.2245 1.2268 1.2268 1.8207 1.8207 1.8232 1.8232 4.8687 4.8687 4.8928 4.8928 5.0770 5.0770 5.1132 5.1132 5.3213 5.3213 5.4080 5.4080 5.6824 5.6824 5.6865 5.6865 6.6667 6.6667 6.6827 6.6827 13.0997 13.0997 13.1004 13.1004 16.7450 16.7450 k = 0.0000 0.5000 0.4731 ( 2698 PWs) bands (ev): -17.8880 -17.8880 -17.8866 -17.8866 -17.5943 -17.5943 -17.5931 -17.5931 -0.9273 -0.9273 -0.9202 -0.9202 -0.6707 -0.6707 -0.6703 -0.6703 -0.0217 -0.0217 -0.0160 -0.0160 0.3028 0.3028 0.3102 0.3102 1.2327 1.2327 1.2355 1.2355 1.8117 1.8117 1.8153 1.8153 4.8610 4.8610 4.8851 4.8851 5.0755 5.0755 5.1138 5.1138 5.3239 5.3239 5.4109 5.4109 5.6684 5.6684 5.6700 5.6700 6.6773 6.6773 6.6941 6.6941 13.1888 13.1888 13.1896 13.1896 16.7096 16.7096 k = 0.0000 0.5000 0.4878 ( 2698 PWs) bands (ev): -17.8794 -17.8794 -17.8780 -17.8780 -17.5969 -17.5969 -17.5957 -17.5957 -0.9226 -0.9226 -0.9152 -0.9152 -0.6946 -0.6946 -0.6938 -0.6938 -0.0169 -0.0169 -0.0118 -0.0118 0.2928 0.2928 0.3015 0.3015 1.2398 1.2398 1.2431 1.2431 1.8032 1.8032 1.8078 1.8078 4.8533 4.8533 4.8774 4.8774 5.0738 5.0738 5.1141 5.1141 5.3266 5.3266 5.4138 5.4138 5.6547 5.6547 5.6555 5.6555 6.6876 6.6876 6.7051 6.7051 13.2789 13.2789 13.2799 13.2799 16.6637 16.6637 k = 0.0000 0.5000 0.5026 ( 2694 PWs) bands (ev): -17.8709 -17.8709 -17.8695 -17.8695 -17.5995 -17.5995 -17.5984 -17.5984 -0.9231 -0.9231 -0.9156 -0.9156 -0.7119 -0.7119 -0.7111 -0.7111 -0.0120 -0.0120 -0.0078 -0.0078 0.2833 0.2833 0.2935 0.2935 1.2458 1.2458 1.2497 1.2497 1.7951 1.7951 1.8008 1.8008 4.8456 4.8456 4.8697 4.8697 5.0717 5.0717 5.1141 5.1141 5.3294 5.3294 5.4166 5.4166 5.6404 5.6404 5.6438 5.6438 6.6977 6.6977 6.7159 6.7159 13.3698 13.3698 13.3710 13.3710 16.6080 16.6081 k = 0.0000 0.5000 0.5174 ( 2698 PWs) bands (ev): -17.8626 -17.8626 -17.8610 -17.8610 -17.6023 -17.6023 -17.6012 -17.6012 -0.9296 -0.9296 -0.9223 -0.9223 -0.7220 -0.7220 -0.7214 -0.7214 -0.0073 -0.0073 -0.0040 -0.0040 0.2743 0.2743 0.2862 0.2862 1.2506 1.2506 1.2551 1.2551 1.7876 1.7876 1.7944 1.7944 4.8380 4.8380 4.8620 4.8620 5.0695 5.0695 5.1137 5.1137 5.3321 5.3321 5.4192 5.4192 5.6272 5.6272 5.6331 5.6331 6.7073 6.7073 6.7261 6.7261 13.4617 13.4617 13.4630 13.4630 16.5438 16.5438 k = 0.0000 0.5000 0.5322 ( 2690 PWs) bands (ev): -17.8543 -17.8543 -17.8526 -17.8526 -17.6052 -17.6052 -17.6041 -17.6041 -0.9415 -0.9415 -0.9347 -0.9347 -0.7251 -0.7251 -0.7250 -0.7250 -0.0030 -0.0030 -0.0007 -0.0007 0.2663 0.2663 0.2799 0.2799 1.2544 1.2544 1.2593 1.2593 1.7807 1.7807 1.7885 1.7885 4.8304 4.8304 4.8545 4.8545 5.0671 5.0671 5.1133 5.1133 5.3349 5.3349 5.4217 5.4217 5.6150 5.6150 5.6236 5.6236 6.7167 6.7167 6.7361 6.7361 13.5543 13.5543 13.5558 13.5558 16.4722 16.4722 k = 0.0000 0.5000 0.5470 ( 2690 PWs) bands (ev): -17.8462 -17.8462 -17.8444 -17.8444 -17.6081 -17.6081 -17.6071 -17.6071 -0.9577 -0.9577 -0.9515 -0.9515 -0.7231 -0.7231 -0.7226 -0.7226 0.0007 0.0007 0.0016 0.0016 0.2594 0.2594 0.2749 0.2749 1.2570 1.2570 1.2624 1.2624 1.7744 1.7744 1.7833 1.7833 4.8230 4.8230 4.8471 4.8471 5.0645 5.0645 5.1125 5.1125 5.3375 5.3375 5.4240 5.4240 5.6039 5.6039 5.6150 5.6150 6.7255 6.7255 6.7455 6.7455 13.6477 13.6477 13.6493 13.6493 16.3943 16.3943 k = 0.0000 0.5000 0.5618 ( 2690 PWs) bands (ev): -17.8382 -17.8382 -17.8364 -17.8364 -17.6111 -17.6111 -17.6102 -17.6102 -0.9765 -0.9765 -0.9709 -0.9709 -0.7174 -0.7174 -0.7162 -0.7162 0.0030 0.0030 0.0033 0.0033 0.2537 0.2537 0.2712 0.2712 1.2585 1.2585 1.2643 1.2643 1.7689 1.7689 1.7788 1.7788 4.8159 4.8159 4.8399 4.8399 5.0618 5.0618 5.1116 5.1116 5.3400 5.3400 5.4262 5.4262 5.5939 5.5939 5.6075 5.6075 6.7340 6.7340 6.7544 6.7544 13.7417 13.7417 13.7435 13.7435 16.3112 16.3112 k = 0.0000 0.5000 0.5765 ( 2694 PWs) bands (ev): -17.8305 -17.8305 -17.8286 -17.8286 -17.6142 -17.6142 -17.6133 -17.6133 -0.9964 -0.9964 -0.9913 -0.9913 -0.7093 -0.7093 -0.7075 -0.7075 0.0031 0.0031 0.0048 0.0048 0.2495 0.2495 0.2689 0.2689 1.2590 1.2590 1.2652 1.2652 1.7641 1.7641 1.7750 1.7750 4.8089 4.8089 4.8330 4.8330 5.0591 5.0591 5.1106 5.1106 5.3423 5.3423 5.4281 5.4281 5.5848 5.5848 5.6009 5.6009 6.7419 6.7419 6.7628 6.7628 13.8364 13.8364 13.8384 13.8384 16.2239 16.2239 k = 0.0000 0.5000 0.5913 ( 2694 PWs) bands (ev): -17.8231 -17.8231 -17.8210 -17.8210 -17.6174 -17.6174 -17.6165 -17.6165 -1.0165 -1.0165 -1.0118 -1.0118 -0.6998 -0.6998 -0.6975 -0.6975 0.0021 0.0021 0.0051 0.0051 0.2469 0.2469 0.2681 0.2681 1.2586 1.2586 1.2650 1.2650 1.7601 1.7601 1.7718 1.7718 4.8024 4.8024 4.8264 4.8264 5.0564 5.0564 5.1095 5.1095 5.3445 5.3445 5.4298 5.4298 5.5767 5.5767 5.5952 5.5952 6.7493 6.7493 6.7706 6.7706 13.9317 13.9317 13.9338 13.9338 16.1332 16.1332 k = 0.0000 0.5000 0.6061 ( 2694 PWs) bands (ev): -17.8159 -17.8159 -17.8138 -17.8138 -17.6205 -17.6205 -17.6197 -17.6197 -1.0359 -1.0359 -1.0316 -1.0316 -0.6896 -0.6896 -0.6869 -0.6869 -0.0002 -0.0002 0.0041 0.0041 0.2458 0.2458 0.2687 0.2687 1.2574 1.2574 1.2641 1.2641 1.7567 1.7567 1.7692 1.7692 4.7962 4.7962 4.8202 4.8202 5.0537 5.0537 5.1083 5.1083 5.3465 5.3465 5.4312 5.4312 5.5696 5.5696 5.5902 5.5902 6.7562 6.7562 6.7778 6.7778 14.0276 14.0276 14.0297 14.0297 16.0391 16.0392 k = 0.0000 0.5000 0.6209 ( 2686 PWs) bands (ev): -17.8092 -17.8092 -17.8069 -17.8069 -17.6236 -17.6236 -17.6229 -17.6229 -1.0543 -1.0543 -1.0503 -1.0503 -0.6792 -0.6792 -0.6762 -0.6762 -0.0034 -0.0034 0.0019 0.0019 0.2460 0.2460 0.2705 0.2705 1.2556 1.2556 1.2625 1.2625 1.7540 1.7540 1.7671 1.7671 4.7905 4.7905 4.8145 4.8145 5.0512 5.0512 5.1072 5.1072 5.3482 5.3482 5.4325 5.4325 5.5634 5.5634 5.5861 5.5861 6.7625 6.7625 6.7845 6.7845 14.1239 14.1239 14.1260 14.1260 15.9424 15.9424 k = 0.0000 0.5000 0.6357 ( 2678 PWs) bands (ev): -17.8028 -17.8028 -17.8004 -17.8004 -17.6266 -17.6266 -17.6261 -17.6261 -1.0713 -1.0713 -1.0675 -1.0675 -0.6691 -0.6691 -0.6657 -0.6657 -0.0075 -0.0075 -0.0013 -0.0013 0.2474 0.2474 0.2732 0.2732 1.2533 1.2533 1.2603 1.2603 1.7518 1.7518 1.7656 1.7656 4.7852 4.7852 4.8092 4.8092 5.0489 5.0489 5.1061 5.1061 5.3498 5.3498 5.4336 5.4336 5.5580 5.5580 5.5827 5.5827 6.7682 6.7682 6.7905 6.7905 14.2206 14.2206 14.2227 14.2227 15.8443 15.8443 k = 0.0000 0.5000 0.6505 ( 2682 PWs) bands (ev): -17.7969 -17.7969 -17.7944 -17.7944 -17.6295 -17.6295 -17.6291 -17.6291 -1.0867 -1.0867 -1.0831 -1.0831 -0.6595 -0.6595 -0.6558 -0.6558 -0.0120 -0.0120 -0.0051 -0.0051 0.2496 0.2496 0.2766 0.2766 1.2507 1.2507 1.2578 1.2578 1.7502 1.7502 1.7645 1.7645 4.7804 4.7804 4.8044 4.8044 5.0467 5.0467 5.1050 5.1050 5.3512 5.3512 5.4345 5.4345 5.5533 5.5533 5.5798 5.5798 6.7733 6.7733 6.7958 6.7958 14.3177 14.3177 14.3196 14.3196 15.7453 15.7453 k = 0.0000 0.5000 0.6652 ( 2682 PWs) bands (ev): -17.7915 -17.7915 -17.7889 -17.7889 -17.6323 -17.6323 -17.6319 -17.6319 -1.1003 -1.1003 -1.0969 -1.0969 -0.6506 -0.6506 -0.6467 -0.6467 -0.0168 -0.0168 -0.0092 -0.0092 0.2524 0.2524 0.2802 0.2802 1.2480 1.2480 1.2551 1.2551 1.7490 1.7490 1.7637 1.7637 4.7762 4.7762 4.8002 4.8002 5.0447 5.0447 5.1040 5.1040 5.3523 5.3523 5.4352 5.4352 5.5494 5.5494 5.5774 5.5774 6.7777 6.7777 6.8004 6.8004 14.4149 14.4149 14.4166 14.4166 15.6459 15.6459 k = 0.0000 0.5000 0.6800 ( 2678 PWs) bands (ev): -17.7868 -17.7868 -17.7841 -17.7841 -17.6348 -17.6348 -17.6345 -17.6345 -1.1120 -1.1120 -1.1087 -1.1087 -0.6427 -0.6427 -0.6386 -0.6386 -0.0214 -0.0214 -0.0134 -0.0134 0.2553 0.2553 0.2839 0.2839 1.2454 1.2454 1.2524 1.2524 1.7481 1.7481 1.7632 1.7632 4.7726 4.7726 4.7966 4.7966 5.0430 5.0430 5.1032 5.1032 5.3533 5.3533 5.4358 5.4358 5.5462 5.5462 5.5756 5.5756 6.7815 6.7815 6.8044 6.8044 14.5121 14.5121 14.5133 14.5133 15.5465 15.5465 k = 0.0000 0.5000 0.6948 ( 2682 PWs) bands (ev): -17.7828 -17.7828 -17.7800 -17.7800 -17.6370 -17.6370 -17.6368 -17.6368 -1.1216 -1.1216 -1.1184 -1.1184 -0.6360 -0.6360 -0.6317 -0.6317 -0.0256 -0.0256 -0.0173 -0.0173 0.2581 0.2581 0.2873 0.2873 1.2429 1.2429 1.2500 1.2500 1.7475 1.7475 1.7629 1.7629 4.7696 4.7696 4.7936 4.7936 5.0415 5.0415 5.1024 5.1024 5.3541 5.3541 5.4363 5.4363 5.5437 5.5437 5.5741 5.5741 6.7845 6.7845 6.8076 6.8076 14.6088 14.6088 14.6093 14.6093 15.4478 15.4478 k = 0.0000 0.5000 0.7096 ( 2686 PWs) bands (ev): -17.7796 -17.7796 -17.7767 -17.7767 -17.6388 -17.6388 -17.6387 -17.6387 -1.1292 -1.1292 -1.1261 -1.1261 -0.6306 -0.6306 -0.6262 -0.6262 -0.0292 -0.0292 -0.0206 -0.0206 0.2606 0.2606 0.2903 0.2903 1.2409 1.2409 1.2479 1.2479 1.7471 1.7471 1.7627 1.7627 4.7672 4.7672 4.7912 4.7912 5.0403 5.0403 5.1018 5.1018 5.3546 5.3546 5.4366 5.4366 5.5417 5.5417 5.5730 5.5730 6.7870 6.7870 6.8102 6.8102 14.7035 14.7035 14.7042 14.7042 15.3507 15.3507 k = 0.0000 0.5000 0.7244 ( 2694 PWs) bands (ev): -17.7772 -17.7772 -17.7742 -17.7742 -17.6401 -17.6401 -17.6401 -17.6401 -1.1347 -1.1347 -1.1316 -1.1316 -0.6266 -0.6266 -0.6221 -0.6221 -0.0320 -0.0320 -0.0232 -0.0232 0.2625 0.2625 0.2925 0.2925 1.2393 1.2393 1.2463 1.2463 1.7468 1.7468 1.7626 1.7626 4.7655 4.7655 4.7894 4.7894 5.0395 5.0395 5.1013 5.1013 5.3550 5.3550 5.4368 5.4368 5.5404 5.5404 5.5723 5.5723 6.7887 6.7887 6.8119 6.8119 14.7931 14.7931 14.7960 14.7960 15.2576 15.2576 k = 0.0000 0.5000 0.7392 ( 2688 PWs) bands (ev): -17.7758 -17.7758 -17.7727 -17.7727 -17.6410 -17.6410 -17.6409 -17.6409 -1.1379 -1.1379 -1.1349 -1.1349 -0.6242 -0.6242 -0.6196 -0.6196 -0.0336 -0.0336 -0.0248 -0.0248 0.2637 0.2637 0.2939 0.2939 1.2384 1.2384 1.2453 1.2453 1.7467 1.7467 1.7626 1.7626 4.7645 4.7645 4.7884 4.7884 5.0390 5.0390 5.1010 5.1010 5.3553 5.3553 5.4370 5.4370 5.5396 5.5396 5.5719 5.5719 6.7897 6.7897 6.8131 6.8131 14.8696 14.8696 14.8764 14.8764 15.1764 15.1764 k = 0.0000 0.5000 0.7539 ( 2688 PWs) bands (ev): -17.7753 -17.7753 -17.7722 -17.7722 -17.6412 -17.6412 -17.6412 -17.6412 -1.1390 -1.1390 -1.1360 -1.1360 -0.6234 -0.6234 -0.6188 -0.6188 -0.0342 -0.0342 -0.0253 -0.0253 0.2642 0.2642 0.2943 0.2943 1.2381 1.2381 1.2450 1.2450 1.7467 1.7467 1.7625 1.7625 4.7641 4.7641 4.7881 4.7881 5.0388 5.0388 5.1009 5.1009 5.3554 5.3554 5.4370 5.4370 5.5393 5.5393 5.5717 5.5717 6.7901 6.7901 6.8134 6.8134 14.9051 14.9051 14.9156 14.9156 15.1369 15.1369 k = 0.5000 0.5000-0.0000 ( 2692 PWs) bands (ev): -17.9728 -17.9728 -17.9728 -17.9728 -17.6613 -17.6613 -17.6613 -17.6613 -1.5206 -1.5206 -1.5206 -1.5206 0.0953 0.0953 0.0953 0.0953 0.3094 0.3094 0.3094 0.3094 0.9744 0.9744 0.9744 0.9744 1.3678 1.3678 1.3678 1.3678 1.3918 1.3918 1.3918 1.3918 4.7133 4.7133 4.7133 4.7133 4.9041 4.9041 4.9041 4.9041 5.4061 5.4061 5.4061 5.4061 5.9775 5.9775 5.9775 5.9775 6.5388 6.5388 6.5388 6.5388 12.8440 12.8440 12.8440 12.8440 13.7663 13.7663 k = 0.5000 0.5000 0.0148 ( 2692 PWs) bands (ev): -17.9726 -17.9726 -17.9726 -17.9726 -17.6612 -17.6612 -17.6612 -17.6612 -1.5204 -1.5204 -1.5204 -1.5204 0.0888 0.0888 0.0888 0.0888 0.3161 0.3161 0.3161 0.3161 0.9729 0.9729 0.9729 0.9729 1.3681 1.3681 1.3681 1.3681 1.3913 1.3913 1.3913 1.3913 4.7138 4.7138 4.7138 4.7138 4.9044 4.9044 4.9044 4.9044 5.4059 5.4059 5.4059 5.4059 5.9780 5.9780 5.9780 5.9780 6.5380 6.5380 6.5380 6.5380 12.8453 12.8453 12.8453 12.8453 13.7681 13.7681 k = 0.5000 0.5000 0.0296 ( 2688 PWs) bands (ev): -17.9721 -17.9721 -17.9721 -17.9721 -17.6611 -17.6611 -17.6611 -17.6611 -1.5197 -1.5197 -1.5197 -1.5197 0.0714 0.0714 0.0714 0.0714 0.3343 0.3343 0.3343 0.3343 0.9686 0.9686 0.9686 0.9686 1.3690 1.3690 1.3690 1.3690 1.3897 1.3897 1.3897 1.3897 4.7151 4.7151 4.7151 4.7151 4.9053 4.9053 4.9053 4.9053 5.4050 5.4050 5.4050 5.4050 5.9795 5.9795 5.9795 5.9795 6.5358 6.5358 6.5358 6.5358 12.8493 12.8493 12.8493 12.8493 13.7734 13.7734 k = 0.5000 0.5000 0.0443 ( 2688 PWs) bands (ev): -17.9713 -17.9713 -17.9713 -17.9713 -17.6609 -17.6609 -17.6609 -17.6609 -1.5187 -1.5187 -1.5187 -1.5187 0.0468 0.0468 0.0468 0.0468 0.3600 0.3600 0.3600 0.3600 0.9613 0.9613 0.9613 0.9613 1.3704 1.3704 1.3704 1.3704 1.3870 1.3870 1.3870 1.3870 4.7174 4.7174 4.7174 4.7174 4.9067 4.9067 4.9067 4.9067 5.4036 5.4036 5.4036 5.4036 5.9819 5.9819 5.9819 5.9819 6.5320 6.5320 6.5320 6.5320 12.8559 12.8559 12.8559 12.8559 13.7822 13.7822 k = 0.5000 0.5000 0.0591 ( 2688 PWs) bands (ev): -17.9701 -17.9701 -17.9701 -17.9701 -17.6607 -17.6607 -17.6607 -17.6607 -1.5173 -1.5173 -1.5173 -1.5173 0.0183 0.0183 0.0183 0.0183 0.3900 0.3900 0.3900 0.3900 0.9513 0.9513 0.9513 0.9513 1.3724 1.3724 1.3724 1.3724 1.3833 1.3833 1.3833 1.3833 4.7205 4.7205 4.7205 4.7205 4.9087 4.9087 4.9087 4.9087 5.4017 5.4017 5.4017 5.4017 5.9853 5.9853 5.9853 5.9853 6.5267 6.5267 6.5267 6.5267 12.8650 12.8650 12.8650 12.8650 13.7945 13.7945 k = 0.5000 0.5000 0.0739 ( 2688 PWs) bands (ev): -17.9686 -17.9686 -17.9686 -17.9686 -17.6603 -17.6603 -17.6603 -17.6603 -1.5155 -1.5155 -1.5155 -1.5155 -0.0124 -0.0124 -0.0124 -0.0124 0.4226 0.4226 0.4226 0.4226 0.9386 0.9386 0.9386 0.9386 1.3749 1.3749 1.3749 1.3749 1.3787 1.3787 1.3787 1.3787 4.7244 4.7244 4.7244 4.7244 4.9112 4.9112 4.9112 4.9112 5.3992 5.3992 5.3992 5.3992 5.9896 5.9896 5.9896 5.9896 6.5200 6.5200 6.5200 6.5200 12.8768 12.8768 12.8768 12.8768 13.8103 13.8103 k = 0.5000 0.5000 0.0887 ( 2676 PWs) bands (ev): -17.9667 -17.9667 -17.9667 -17.9667 -17.6599 -17.6599 -17.6599 -17.6599 -1.5134 -1.5134 -1.5134 -1.5134 -0.0442 -0.0442 -0.0442 -0.0442 0.4566 0.4566 0.4566 0.4566 0.9233 0.9233 0.9233 0.9233 1.3731 1.3731 1.3731 1.3731 1.3781 1.3781 1.3781 1.3781 4.7292 4.7292 4.7292 4.7292 4.9144 4.9144 4.9144 4.9144 5.3962 5.3962 5.3962 5.3962 5.9948 5.9948 5.9948 5.9948 6.5120 6.5120 6.5120 6.5120 12.8911 12.8911 12.8911 12.8911 13.8294 13.8294 k = 0.5000 0.5000 0.1035 ( 2684 PWs) bands (ev): -17.9646 -17.9646 -17.9646 -17.9646 -17.6594 -17.6594 -17.6594 -17.6594 -1.5109 -1.5109 -1.5109 -1.5109 -0.0764 -0.0764 -0.0764 -0.0764 0.4912 0.4912 0.4912 0.4912 0.9055 0.9055 0.9055 0.9055 1.3668 1.3668 1.3668 1.3668 1.3818 1.3818 1.3818 1.3818 4.7346 4.7346 4.7346 4.7346 4.9179 4.9179 4.9179 4.9179 5.3926 5.3926 5.3926 5.3926 6.0007 6.0007 6.0007 6.0007 6.5025 6.5025 6.5025 6.5025 12.9080 12.9080 12.9080 12.9080 13.8518 13.8518 k = 0.5000 0.5000 0.1183 ( 2700 PWs) bands (ev): -17.9621 -17.9621 -17.9621 -17.9621 -17.6588 -17.6588 -17.6588 -17.6588 -1.5082 -1.5082 -1.5082 -1.5082 -0.1087 -0.1087 -0.1087 -0.1087 0.5259 0.5259 0.5259 0.5259 0.8854 0.8854 0.8854 0.8854 1.3598 1.3598 1.3598 1.3598 1.3860 1.3860 1.3860 1.3860 4.7407 4.7407 4.7407 4.7407 4.9219 4.9219 4.9219 4.9219 5.3885 5.3885 5.3885 5.3885 6.0074 6.0074 6.0074 6.0074 6.4917 6.4917 6.4917 6.4917 12.9273 12.9273 12.9273 12.9273 13.8773 13.8773 k = 0.5000 0.5000 0.1330 ( 2708 PWs) bands (ev): -17.9594 -17.9594 -17.9594 -17.9594 -17.6582 -17.6582 -17.6582 -17.6582 -1.5052 -1.5052 -1.5052 -1.5052 -0.1408 -0.1408 -0.1408 -0.1408 0.5603 0.5603 0.5603 0.5603 0.8633 0.8633 0.8633 0.8633 1.3524 1.3524 1.3524 1.3524 1.3907 1.3907 1.3907 1.3907 4.7474 4.7474 4.7474 4.7474 4.9265 4.9265 4.9265 4.9265 5.3838 5.3838 5.3838 5.3838 6.0148 6.0148 6.0148 6.0148 6.4799 6.4799 6.4799 6.4799 12.9490 12.9490 12.9490 12.9490 13.9060 13.9060 k = 0.5000 0.5000 0.1478 ( 2716 PWs) bands (ev): -17.9563 -17.9563 -17.9563 -17.9563 -17.6575 -17.6575 -17.6575 -17.6575 -1.5019 -1.5019 -1.5019 -1.5019 -0.1725 -0.1725 -0.1725 -0.1725 0.5941 0.5941 0.5941 0.5941 0.8393 0.8393 0.8393 0.8393 1.3446 1.3446 1.3446 1.3446 1.3959 1.3959 1.3959 1.3959 4.7546 4.7546 4.7546 4.7546 4.9315 4.9315 4.9315 4.9315 5.3788 5.3788 5.3788 5.3788 6.0228 6.0228 6.0228 6.0228 6.4670 6.4670 6.4670 6.4670 12.9730 12.9730 12.9730 12.9730 13.9376 13.9376 k = 0.5000 0.5000 0.1626 ( 2716 PWs) bands (ev): -17.9530 -17.9530 -17.9530 -17.9530 -17.6568 -17.6568 -17.6568 -17.6568 -1.4986 -1.4986 -1.4986 -1.4986 -0.2036 -0.2036 -0.2036 -0.2036 0.6269 0.6269 0.6269 0.6269 0.8137 0.8137 0.8137 0.8137 1.3367 1.3367 1.3367 1.3367 1.4016 1.4016 1.4016 1.4016 4.7624 4.7624 4.7624 4.7624 4.9369 4.9369 4.9369 4.9369 5.3732 5.3732 5.3732 5.3732 6.0313 6.0313 6.0313 6.0313 6.4532 6.4532 6.4532 6.4532 12.9994 12.9994 12.9994 12.9994 13.9721 13.9721 k = 0.5000 0.5000 0.1774 ( 2716 PWs) bands (ev): -17.9494 -17.9494 -17.9494 -17.9494 -17.6560 -17.6560 -17.6560 -17.6560 -1.4951 -1.4951 -1.4951 -1.4951 -0.2341 -0.2341 -0.2341 -0.2341 0.6580 0.6580 0.6580 0.6580 0.7868 0.7868 0.7868 0.7868 1.3289 1.3289 1.3289 1.3289 1.4079 1.4079 1.4079 1.4079 4.7705 4.7705 4.7705 4.7705 4.9428 4.9428 4.9428 4.9428 5.3672 5.3672 5.3672 5.3672 6.0404 6.0404 6.0404 6.0404 6.4386 6.4386 6.4386 6.4386 13.0279 13.0279 13.0279 13.0279 14.0094 14.0094 k = 0.5000 0.5000 0.1922 ( 2704 PWs) bands (ev): -17.9455 -17.9455 -17.9455 -17.9455 -17.6551 -17.6551 -17.6551 -17.6551 -1.4915 -1.4915 -1.4915 -1.4915 -0.2640 -0.2640 -0.2640 -0.2640 0.6865 0.6865 0.6865 0.6865 0.7598 0.7598 0.7598 0.7598 1.3217 1.3217 1.3217 1.3217 1.4145 1.4145 1.4145 1.4145 4.7792 4.7792 4.7792 4.7792 4.9491 4.9491 4.9491 4.9491 5.3607 5.3607 5.3607 5.3607 6.0498 6.0498 6.0498 6.0498 6.4232 6.4232 6.4232 6.4232 13.0586 13.0586 13.0586 13.0586 14.0492 14.0492 k = 0.5000 0.5000 0.2070 ( 2704 PWs) bands (ev): -17.9414 -17.9414 -17.9414 -17.9414 -17.6541 -17.6541 -17.6541 -17.6541 -1.4879 -1.4879 -1.4879 -1.4879 -0.2930 -0.2930 -0.2930 -0.2930 0.7055 0.7055 0.7055 0.7055 0.7390 0.7390 0.7390 0.7390 1.3154 1.3154 1.3154 1.3154 1.4216 1.4216 1.4216 1.4216 4.7880 4.7880 4.7880 4.7880 4.9556 4.9556 4.9556 4.9556 5.3539 5.3539 5.3539 5.3539 6.0595 6.0595 6.0595 6.0595 6.4071 6.4071 6.4071 6.4071 13.0913 13.0913 13.0913 13.0913 14.0915 14.0915 k = 0.5000 0.5000 0.2217 ( 2704 PWs) bands (ev): -17.9371 -17.9371 -17.9371 -17.9371 -17.6531 -17.6531 -17.6531 -17.6531 -1.4844 -1.4844 -1.4844 -1.4844 -0.3213 -0.3213 -0.3213 -0.3213 0.6903 0.6903 0.6903 0.6903 0.7489 0.7489 0.7489 0.7489 1.3104 1.3104 1.3104 1.3104 1.4292 1.4292 1.4292 1.4292 4.7972 4.7972 4.7972 4.7972 4.9625 4.9625 4.9625 4.9625 5.3466 5.3466 5.3466 5.3466 6.0694 6.0694 6.0694 6.0694 6.3906 6.3906 6.3906 6.3906 13.1259 13.1259 13.1259 13.1259 14.1362 14.1362 k = 0.5000 0.5000 0.2365 ( 2696 PWs) bands (ev): -17.9325 -17.9325 -17.9325 -17.9325 -17.6521 -17.6521 -17.6521 -17.6521 -1.4809 -1.4809 -1.4809 -1.4809 -0.3487 -0.3487 -0.3487 -0.3487 0.6613 0.6613 0.6613 0.6613 0.7689 0.7689 0.7689 0.7689 1.3072 1.3072 1.3072 1.3072 1.4371 1.4371 1.4371 1.4371 4.8065 4.8065 4.8065 4.8065 4.9697 4.9697 4.9697 4.9697 5.3391 5.3391 5.3391 5.3391 6.0794 6.0794 6.0794 6.0794 6.3737 6.3737 6.3737 6.3737 13.1624 13.1624 13.1624 13.1624 14.1830 14.1830 k = 0.5000 0.5000 0.2513 ( 2704 PWs) bands (ev): -17.9278 -17.9278 -17.9278 -17.9278 -17.6510 -17.6510 -17.6510 -17.6510 -1.4777 -1.4777 -1.4777 -1.4777 -0.3752 -0.3752 -0.3752 -0.3752 0.6302 0.6302 0.6302 0.6302 0.7870 0.7870 0.7870 0.7870 1.3063 1.3063 1.3063 1.3063 1.4454 1.4454 1.4454 1.4454 4.8160 4.8160 4.8160 4.8160 4.9770 4.9770 4.9770 4.9770 5.3311 5.3311 5.3311 5.3311 6.0894 6.0894 6.0894 6.0894 6.3564 6.3564 6.3564 6.3564 13.2006 13.2006 13.2006 13.2006 14.2319 14.2319 k = 0.5000 0.5000 0.2661 ( 2712 PWs) bands (ev): -17.9229 -17.9229 -17.9229 -17.9229 -17.6499 -17.6499 -17.6499 -17.6499 -1.4747 -1.4747 -1.4747 -1.4747 -0.4008 -0.4008 -0.4008 -0.4008 0.5985 0.5985 0.5985 0.5985 0.8014 0.8014 0.8014 0.8014 1.3082 1.3082 1.3082 1.3082 1.4540 1.4540 1.4540 1.4540 4.8255 4.8255 4.8255 4.8255 4.9845 4.9845 4.9845 4.9845 5.3229 5.3229 5.3229 5.3229 6.0993 6.0993 6.0993 6.0993 6.3391 6.3391 6.3391 6.3391 13.2404 13.2404 13.2404 13.2404 14.2827 14.2827 k = 0.5000 0.5000 0.2809 ( 2712 PWs) bands (ev): -17.9178 -17.9178 -17.9178 -17.9178 -17.6488 -17.6488 -17.6488 -17.6488 -1.4721 -1.4721 -1.4721 -1.4721 -0.4255 -0.4255 -0.4255 -0.4255 0.5667 0.5667 0.5667 0.5667 0.8117 0.8117 0.8117 0.8117 1.3133 1.3133 1.3133 1.3133 1.4629 1.4629 1.4629 1.4629 4.8352 4.8352 4.8352 4.8352 4.9921 4.9921 4.9921 4.9921 5.3144 5.3144 5.3144 5.3144 6.1089 6.1089 6.1089 6.1089 6.3218 6.3218 6.3218 6.3218 13.2817 13.2817 13.2817 13.2817 14.3353 14.3353 k = 0.5000 0.5000 0.2957 ( 2704 PWs) bands (ev): -17.9126 -17.9126 -17.9126 -17.9126 -17.6476 -17.6476 -17.6476 -17.6476 -1.4698 -1.4698 -1.4698 -1.4698 -0.4491 -0.4491 -0.4491 -0.4491 0.5350 0.5350 0.5350 0.5350 0.8174 0.8174 0.8174 0.8174 1.3217 1.3217 1.3217 1.3217 1.4722 1.4722 1.4722 1.4722 4.8450 4.8450 4.8450 4.8450 5.0000 5.0000 5.0000 5.0000 5.3056 5.3056 5.3056 5.3056 6.1182 6.1182 6.1182 6.1182 6.3047 6.3047 6.3047 6.3047 13.3244 13.3244 13.3244 13.3244 14.3896 14.3896 k = 0.5000 0.5000 0.3104 ( 2696 PWs) bands (ev): -17.9072 -17.9072 -17.9072 -17.9072 -17.6464 -17.6464 -17.6464 -17.6464 -1.4679 -1.4679 -1.4679 -1.4679 -0.4717 -0.4717 -0.4717 -0.4717 0.5036 0.5036 0.5036 0.5036 0.8187 0.8187 0.8187 0.8187 1.3333 1.3333 1.3333 1.3333 1.4817 1.4817 1.4817 1.4817 4.8547 4.8547 4.8547 4.8547 5.0078 5.0078 5.0078 5.0078 5.2968 5.2968 5.2968 5.2968 6.1268 6.1268 6.1268 6.1268 6.2881 6.2881 6.2881 6.2881 13.3683 13.3683 13.3683 13.3683 14.4454 14.4454 k = 0.5000 0.5000 0.3252 ( 2704 PWs) bands (ev): -17.9018 -17.9018 -17.9018 -17.9018 -17.6451 -17.6451 -17.6451 -17.6451 -1.4665 -1.4665 -1.4665 -1.4665 -0.4934 -0.4934 -0.4934 -0.4934 0.4728 0.4728 0.4728 0.4728 0.8158 0.8158 0.8158 0.8158 1.3480 1.3480 1.3480 1.3480 1.4914 1.4914 1.4914 1.4914 4.8644 4.8644 4.8644 4.8644 5.0156 5.0156 5.0156 5.0156 5.2876 5.2876 5.2876 5.2876 6.1346 6.1346 6.1346 6.1346 6.2721 6.2721 6.2721 6.2721 13.4134 13.4134 13.4134 13.4134 14.5025 14.5025 k = 0.5000 0.5000 0.3400 ( 2704 PWs) bands (ev): -17.8963 -17.8963 -17.8963 -17.8963 -17.6439 -17.6439 -17.6439 -17.6439 -1.4657 -1.4657 -1.4657 -1.4657 -0.5140 -0.5140 -0.5140 -0.5140 0.4428 0.4428 0.4428 0.4428 0.8091 0.8091 0.8091 0.8091 1.3653 1.3653 1.3653 1.3653 1.5013 1.5013 1.5013 1.5013 4.8741 4.8741 4.8741 4.8741 5.0233 5.0233 5.0233 5.0233 5.2785 5.2785 5.2785 5.2785 6.1412 6.1412 6.1412 6.1412 6.2572 6.2572 6.2572 6.2572 13.4594 13.4594 13.4594 13.4594 14.5610 14.5610 k = 0.5000 0.5000 0.3548 ( 2696 PWs) bands (ev): -17.8907 -17.8907 -17.8907 -17.8907 -17.6426 -17.6426 -17.6426 -17.6426 -1.4655 -1.4655 -1.4655 -1.4655 -0.5335 -0.5335 -0.5335 -0.5335 0.4137 0.4137 0.4137 0.4137 0.7991 0.7991 0.7991 0.7991 1.3849 1.3849 1.3849 1.3849 1.5114 1.5114 1.5114 1.5114 4.8837 4.8837 4.8837 4.8837 5.0309 5.0309 5.0309 5.0309 5.2694 5.2694 5.2694 5.2694 6.1461 6.1461 6.1461 6.1461 6.2441 6.2441 6.2441 6.2441 13.5063 13.5063 13.5063 13.5063 14.6206 14.6206 k = 0.5000 0.5000 0.3696 ( 2696 PWs) bands (ev): -17.8851 -17.8851 -17.8851 -17.8851 -17.6414 -17.6414 -17.6414 -17.6414 -1.4659 -1.4659 -1.4659 -1.4659 -0.5521 -0.5521 -0.5521 -0.5521 0.3856 0.3856 0.3856 0.3856 0.7862 0.7862 0.7862 0.7862 1.4061 1.4061 1.4061 1.4061 1.5216 1.5216 1.5216 1.5216 4.8932 4.8932 4.8932 4.8932 5.0384 5.0384 5.0384 5.0384 5.2602 5.2602 5.2602 5.2602 6.1482 6.1482 6.1482 6.1482 6.2336 6.2336 6.2336 6.2336 13.5539 13.5539 13.5539 13.5539 14.6812 14.6812 k = 0.5000 0.5000 0.3844 ( 2712 PWs) bands (ev): -17.8794 -17.8794 -17.8794 -17.8794 -17.6401 -17.6401 -17.6401 -17.6401 -1.4669 -1.4669 -1.4669 -1.4669 -0.5696 -0.5696 -0.5696 -0.5696 0.3587 0.3587 0.3587 0.3587 0.7709 0.7709 0.7709 0.7709 1.4285 1.4285 1.4285 1.4285 1.5320 1.5320 1.5320 1.5320 4.9024 4.9024 4.9024 4.9024 5.0455 5.0455 5.0455 5.0455 5.2511 5.2511 5.2511 5.2511 6.1467 6.1467 6.1467 6.1467 6.2266 6.2266 6.2266 6.2266 13.6020 13.6020 13.6020 13.6020 14.7428 14.7428 k = 0.5000 0.5000 0.3991 ( 2704 PWs) bands (ev): -17.8738 -17.8738 -17.8738 -17.8738 -17.6388 -17.6388 -17.6388 -17.6388 -1.4687 -1.4687 -1.4687 -1.4687 -0.5860 -0.5860 -0.5860 -0.5860 0.3331 0.3331 0.3331 0.3331 0.7538 0.7538 0.7538 0.7538 1.4518 1.4518 1.4518 1.4518 1.5424 1.5424 1.5424 1.5424 4.9117 4.9117 4.9117 4.9117 5.0525 5.0525 5.0525 5.0525 5.2423 5.2423 5.2423 5.2423 6.1415 6.1415 6.1415 6.1415 6.2235 6.2235 6.2235 6.2235 13.6506 13.6506 13.6506 13.6506 14.8052 14.8052 k = 0.5000 0.5000 0.4139 ( 2696 PWs) bands (ev): -17.8682 -17.8682 -17.8682 -17.8682 -17.6376 -17.6376 -17.6376 -17.6376 -1.4711 -1.4711 -1.4711 -1.4711 -0.6014 -0.6014 -0.6014 -0.6014 0.3089 0.3089 0.3089 0.3089 0.7352 0.7352 0.7352 0.7352 1.4755 1.4755 1.4755 1.4755 1.5528 1.5528 1.5528 1.5528 4.9207 4.9207 4.9207 4.9207 5.0590 5.0590 5.0590 5.0590 5.2338 5.2338 5.2338 5.2338 6.1331 6.1331 6.1331 6.1331 6.2236 6.2236 6.2236 6.2236 13.6993 13.6993 13.6993 13.6993 14.8683 14.8683 k = 0.5000 0.5000 0.4287 ( 2696 PWs) bands (ev): -17.8626 -17.8626 -17.8626 -17.8626 -17.6363 -17.6363 -17.6363 -17.6363 -1.4742 -1.4742 -1.4742 -1.4742 -0.6158 -0.6158 -0.6158 -0.6158 0.2861 0.2861 0.2861 0.2861 0.7155 0.7155 0.7155 0.7155 1.4993 1.4993 1.4993 1.4993 1.5633 1.5633 1.5633 1.5633 4.9295 4.9295 4.9295 4.9295 5.0650 5.0650 5.0650 5.0650 5.2257 5.2257 5.2257 5.2257 6.1226 6.1226 6.1226 6.1226 6.2259 6.2259 6.2259 6.2259 13.7482 13.7482 13.7482 13.7482 14.9320 14.9320 k = 0.5000 0.5000 0.4435 ( 2696 PWs) bands (ev): -17.8571 -17.8571 -17.8571 -17.8571 -17.6351 -17.6351 -17.6351 -17.6351 -1.4780 -1.4780 -1.4780 -1.4780 -0.6292 -0.6292 -0.6292 -0.6292 0.2648 0.2648 0.2648 0.2648 0.6950 0.6950 0.6950 0.6950 1.5229 1.5229 1.5229 1.5229 1.5739 1.5739 1.5739 1.5739 4.9381 4.9381 4.9381 4.9381 5.0703 5.0703 5.0703 5.0703 5.2180 5.2180 5.2180 5.2180 6.1110 6.1110 6.1110 6.1110 6.2293 6.2293 6.2293 6.2293 13.7970 13.7970 13.7970 13.7970 14.9963 14.9963 k = 0.5000 0.5000 0.4583 ( 2696 PWs) bands (ev): -17.8517 -17.8517 -17.8517 -17.8517 -17.6339 -17.6339 -17.6339 -17.6339 -1.4824 -1.4824 -1.4824 -1.4824 -0.6417 -0.6417 -0.6417 -0.6417 0.2451 0.2451 0.2451 0.2451 0.6738 0.6738 0.6738 0.6738 1.5460 1.5460 1.5460 1.5460 1.5846 1.5846 1.5846 1.5846 4.9465 4.9465 4.9465 4.9465 5.0750 5.0750 5.0750 5.0750 5.2111 5.2111 5.2111 5.2111 6.0991 6.0991 6.0991 6.0991 6.2332 6.2332 6.2332 6.2332 13.8455 13.8455 13.8455 13.8455 15.0610 15.0610 k = 0.5000 0.5000 0.4731 ( 2696 PWs) bands (ev): -17.8463 -17.8463 -17.8463 -17.8463 -17.6327 -17.6327 -17.6327 -17.6327 -1.4874 -1.4874 -1.4874 -1.4874 -0.6531 -0.6531 -0.6531 -0.6531 0.2269 0.2269 0.2269 0.2269 0.6524 0.6524 0.6524 0.6524 1.5680 1.5680 1.5680 1.5680 1.5958 1.5958 1.5958 1.5958 4.9546 4.9546 4.9546 4.9546 5.0787 5.0787 5.0787 5.0787 5.2049 5.2049 5.2049 5.2049 6.0872 6.0872 6.0872 6.0872 6.2373 6.2373 6.2373 6.2373 13.8936 13.8936 13.8936 13.8936 15.1261 15.1261 k = 0.5000 0.5000 0.4878 ( 2700 PWs) bands (ev): -17.8412 -17.8412 -17.8412 -17.8412 -17.6315 -17.6315 -17.6315 -17.6315 -1.4929 -1.4929 -1.4929 -1.4929 -0.6636 -0.6636 -0.6636 -0.6636 0.2102 0.2102 0.2102 0.2102 0.6308 0.6308 0.6308 0.6308 1.5878 1.5878 1.5878 1.5878 1.6083 1.6083 1.6083 1.6083 4.9623 4.9623 4.9623 4.9623 5.0815 5.0815 5.0815 5.0815 5.1998 5.1998 5.1998 5.1998 6.0756 6.0756 6.0756 6.0756 6.2413 6.2413 6.2413 6.2413 13.9411 13.9411 13.9411 13.9411 15.1914 15.1914 k = 0.5000 0.5000 0.5026 ( 2700 PWs) bands (ev): -17.8361 -17.8361 -17.8361 -17.8361 -17.6304 -17.6304 -17.6304 -17.6304 -1.4988 -1.4988 -1.4988 -1.4988 -0.6732 -0.6732 -0.6732 -0.6732 0.1951 0.1951 0.1951 0.1951 0.6094 0.6094 0.6094 0.6094 1.6038 1.6038 1.6038 1.6038 1.6238 1.6238 1.6238 1.6238 4.9698 4.9698 4.9698 4.9698 5.0831 5.0831 5.0831 5.0831 5.1957 5.1957 5.1957 5.1957 6.0644 6.0644 6.0644 6.0644 6.2451 6.2451 6.2451 6.2451 13.9879 13.9879 13.9879 13.9879 15.2568 15.2568 k = 0.5000 0.5000 0.5174 ( 2676 PWs) bands (ev): -17.8313 -17.8313 -17.8313 -17.8313 -17.6293 -17.6293 -17.6293 -17.6293 -1.5051 -1.5051 -1.5051 -1.5051 -0.6820 -0.6820 -0.6820 -0.6820 0.1814 0.1814 0.1814 0.1814 0.5882 0.5882 0.5882 0.5882 1.6160 1.6160 1.6160 1.6160 1.6419 1.6419 1.6419 1.6419 4.9771 4.9771 4.9771 4.9771 5.0837 5.0837 5.0837 5.0837 5.1928 5.1928 5.1928 5.1928 6.0538 6.0538 6.0538 6.0538 6.2487 6.2487 6.2487 6.2487 14.0337 14.0337 14.0337 14.0337 15.3223 15.3223 k = 0.5000 0.5000 0.5322 ( 2684 PWs) bands (ev): -17.8266 -17.8266 -17.8266 -17.8266 -17.6283 -17.6283 -17.6283 -17.6283 -1.5118 -1.5118 -1.5118 -1.5118 -0.6899 -0.6899 -0.6899 -0.6899 0.1691 0.1691 0.1691 0.1691 0.5674 0.5674 0.5674 0.5674 1.6262 1.6262 1.6262 1.6262 1.6607 1.6607 1.6607 1.6607 4.9839 4.9839 4.9839 4.9839 5.0830 5.0830 5.0830 5.0830 5.1910 5.1910 5.1910 5.1910 6.0436 6.0436 6.0436 6.0436 6.2520 6.2520 6.2520 6.2520 14.0783 14.0783 14.0783 14.0783 15.3876 15.3876 k = 0.5000 0.5000 0.5470 ( 2668 PWs) bands (ev): -17.8221 -17.8221 -17.8221 -17.8221 -17.6273 -17.6273 -17.6273 -17.6273 -1.5186 -1.5186 -1.5186 -1.5186 -0.6969 -0.6969 -0.6969 -0.6969 0.1581 0.1581 0.1581 0.1581 0.5472 0.5472 0.5472 0.5472 1.6355 1.6355 1.6355 1.6355 1.6792 1.6792 1.6792 1.6792 4.9904 4.9904 4.9904 4.9904 5.0814 5.0814 5.0814 5.0814 5.1903 5.1903 5.1903 5.1903 6.0342 6.0342 6.0342 6.0342 6.2550 6.2550 6.2550 6.2550 14.1216 14.1216 14.1216 14.1216 15.4527 15.4527 k = 0.5000 0.5000 0.5618 ( 2660 PWs) bands (ev): -17.8179 -17.8179 -17.8179 -17.8179 -17.6263 -17.6263 -17.6263 -17.6263 -1.5255 -1.5255 -1.5255 -1.5255 -0.7032 -0.7032 -0.7032 -0.7032 0.1484 0.1484 0.1484 0.1484 0.5277 0.5277 0.5277 0.5277 1.6440 1.6440 1.6440 1.6440 1.6968 1.6968 1.6968 1.6968 4.9965 4.9965 4.9965 4.9965 5.0790 5.0790 5.0790 5.0790 5.1906 5.1906 5.1906 5.1906 6.0254 6.0254 6.0254 6.0254 6.2577 6.2577 6.2577 6.2577 14.1634 14.1634 14.1634 14.1634 15.5173 15.5173 k = 0.5000 0.5000 0.5765 ( 2660 PWs) bands (ev): -17.8139 -17.8139 -17.8139 -17.8139 -17.6254 -17.6254 -17.6254 -17.6254 -1.5325 -1.5325 -1.5325 -1.5325 -0.7088 -0.7088 -0.7088 -0.7088 0.1399 0.1399 0.1399 0.1399 0.5090 0.5090 0.5090 0.5090 1.6519 1.6519 1.6519 1.6519 1.7135 1.7135 1.7135 1.7135 5.0021 5.0021 5.0021 5.0021 5.0759 5.0759 5.0759 5.0759 5.1914 5.1914 5.1914 5.1914 6.0172 6.0172 6.0172 6.0172 6.2601 6.2601 6.2601 6.2601 14.2033 14.2033 14.2033 14.2033 15.5813 15.5813 k = 0.5000 0.5000 0.5913 ( 2660 PWs) bands (ev): -17.8101 -17.8101 -17.8101 -17.8101 -17.6246 -17.6246 -17.6246 -17.6246 -1.5393 -1.5393 -1.5393 -1.5393 -0.7137 -0.7137 -0.7137 -0.7137 0.1325 0.1325 0.1325 0.1325 0.4913 0.4913 0.4913 0.4913 1.6593 1.6593 1.6593 1.6593 1.7291 1.7291 1.7291 1.7291 5.0073 5.0073 5.0073 5.0073 5.0725 5.0725 5.0725 5.0725 5.1928 5.1928 5.1928 5.1928 6.0096 6.0096 6.0096 6.0096 6.2621 6.2621 6.2621 6.2621 14.2413 14.2413 14.2413 14.2413 15.6444 15.6444 k = 0.5000 0.5000 0.6061 ( 2668 PWs) bands (ev): -17.8067 -17.8067 -17.8067 -17.8067 -17.6238 -17.6238 -17.6238 -17.6238 -1.5459 -1.5459 -1.5459 -1.5459 -0.7180 -0.7180 -0.7180 -0.7180 0.1261 0.1261 0.1261 0.1261 0.4748 0.4748 0.4748 0.4748 1.6662 1.6662 1.6662 1.6662 1.7434 1.7434 1.7434 1.7434 5.0120 5.0120 5.0120 5.0120 5.0689 5.0689 5.0689 5.0689 5.1945 5.1945 5.1945 5.1945 6.0027 6.0027 6.0027 6.0027 6.2639 6.2639 6.2639 6.2639 14.2771 14.2771 14.2771 14.2771 15.7063 15.7063 k = 0.5000 0.5000 0.6209 ( 2672 PWs) bands (ev): -17.8035 -17.8035 -17.8035 -17.8035 -17.6231 -17.6231 -17.6231 -17.6231 -1.5522 -1.5522 -1.5522 -1.5522 -0.7217 -0.7217 -0.7217 -0.7217 0.1206 0.1206 0.1206 0.1206 0.4594 0.4594 0.4594 0.4594 1.6724 1.6724 1.6724 1.6724 1.7566 1.7566 1.7566 1.7566 5.0162 5.0162 5.0162 5.0162 5.0653 5.0653 5.0653 5.0653 5.1964 5.1964 5.1964 5.1964 5.9965 5.9965 5.9965 5.9965 6.2655 6.2655 6.2655 6.2655 14.3104 14.3104 14.3104 14.3104 15.7666 15.7666 k = 0.5000 0.5000 0.6357 ( 2660 PWs) bands (ev): -17.8006 -17.8006 -17.8006 -17.8006 -17.6225 -17.6225 -17.6225 -17.6225 -1.5582 -1.5582 -1.5582 -1.5582 -0.7248 -0.7248 -0.7248 -0.7248 0.1159 0.1159 0.1159 0.1159 0.4454 0.4454 0.4454 0.4454 1.6781 1.6781 1.6781 1.6781 1.7684 1.7684 1.7684 1.7684 5.0199 5.0199 5.0199 5.0199 5.0620 5.0620 5.0620 5.0620 5.1983 5.1983 5.1983 5.1983 5.9911 5.9911 5.9911 5.9911 6.2668 6.2668 6.2668 6.2668 14.3411 14.3411 14.3411 14.3411 15.8247 15.8247 k = 0.5000 0.5000 0.6505 ( 2660 PWs) bands (ev): -17.7980 -17.7980 -17.7980 -17.7980 -17.6219 -17.6219 -17.6219 -17.6219 -1.5636 -1.5636 -1.5636 -1.5636 -0.7275 -0.7275 -0.7275 -0.7275 0.1120 0.1120 0.1120 0.1120 0.4327 0.4327 0.4327 0.4327 1.6832 1.6832 1.6832 1.6832 1.7790 1.7790 1.7790 1.7790 5.0230 5.0230 5.0230 5.0230 5.0590 5.0590 5.0590 5.0590 5.2002 5.2002 5.2002 5.2002 5.9863 5.9863 5.9863 5.9863 6.2679 6.2679 6.2679 6.2679 14.3688 14.3688 14.3688 14.3688 15.8800 15.8800 k = 0.5000 0.5000 0.6652 ( 2660 PWs) bands (ev): -17.7957 -17.7957 -17.7957 -17.7957 -17.6214 -17.6214 -17.6214 -17.6214 -1.5685 -1.5685 -1.5685 -1.5685 -0.7297 -0.7297 -0.7297 -0.7297 0.1088 0.1088 0.1088 0.1088 0.4216 0.4216 0.4216 0.4216 1.6876 1.6876 1.6876 1.6876 1.7881 1.7881 1.7881 1.7881 5.0255 5.0255 5.0255 5.0255 5.0565 5.0565 5.0565 5.0565 5.2019 5.2019 5.2019 5.2019 5.9821 5.9821 5.9821 5.9821 6.2688 6.2688 6.2688 6.2688 14.3934 14.3934 14.3934 14.3934 15.9318 15.9318 k = 0.5000 0.5000 0.6800 ( 2660 PWs) bands (ev): -17.7938 -17.7938 -17.7938 -17.7938 -17.6210 -17.6210 -17.6210 -17.6210 -1.5727 -1.5727 -1.5727 -1.5727 -0.7315 -0.7315 -0.7315 -0.7315 0.1062 0.1062 0.1062 0.1062 0.4120 0.4120 0.4120 0.4120 1.6914 1.6914 1.6914 1.6914 1.7959 1.7959 1.7959 1.7959 5.0273 5.0273 5.0273 5.0273 5.0545 5.0545 5.0545 5.0545 5.2035 5.2035 5.2035 5.2035 5.9786 5.9786 5.9786 5.9786 6.2696 6.2696 6.2696 6.2696 14.4146 14.4146 14.4146 14.4146 15.9790 15.9790 k = 0.5000 0.5000 0.6948 ( 2664 PWs) bands (ev): -17.7922 -17.7922 -17.7922 -17.7922 -17.6207 -17.6207 -17.6207 -17.6207 -1.5763 -1.5763 -1.5763 -1.5763 -0.7329 -0.7329 -0.7329 -0.7329 0.1041 0.1041 0.1041 0.1041 0.4041 0.4041 0.4041 0.4041 1.6945 1.6945 1.6945 1.6945 1.8023 1.8023 1.8023 1.8023 5.0286 5.0286 5.0286 5.0286 5.0531 5.0531 5.0531 5.0531 5.2048 5.2048 5.2048 5.2048 5.9757 5.9757 5.9757 5.9757 6.2701 6.2701 6.2701 6.2701 14.4323 14.4323 14.4323 14.4323 16.0204 16.0204 k = 0.5000 0.5000 0.7096 ( 2664 PWs) bands (ev): -17.7910 -17.7910 -17.7910 -17.7910 -17.6204 -17.6204 -17.6204 -17.6204 -1.5791 -1.5791 -1.5791 -1.5791 -0.7340 -0.7340 -0.7340 -0.7340 0.1026 0.1026 0.1026 0.1026 0.3979 0.3979 0.3979 0.3979 1.6970 1.6970 1.6970 1.6970 1.8073 1.8073 1.8073 1.8073 5.0293 5.0293 5.0293 5.0293 5.0521 5.0521 5.0521 5.0521 5.2059 5.2059 5.2059 5.2059 5.9735 5.9735 5.9735 5.9735 6.2706 6.2706 6.2706 6.2706 14.4462 14.4462 14.4462 14.4462 16.0548 16.0548 k = 0.5000 0.5000 0.7244 ( 2672 PWs) bands (ev): -17.7901 -17.7901 -17.7901 -17.7901 -17.6202 -17.6202 -17.6202 -17.6202 -1.5812 -1.5812 -1.5812 -1.5812 -0.7347 -0.7347 -0.7347 -0.7347 0.1015 0.1015 0.1015 0.1015 0.3934 0.3934 0.3934 0.3934 1.6987 1.6987 1.6987 1.6987 1.8109 1.8109 1.8109 1.8109 5.0297 5.0297 5.0297 5.0297 5.0516 5.0516 5.0516 5.0516 5.2067 5.2067 5.2067 5.2067 5.9719 5.9719 5.9719 5.9719 6.2708 6.2708 6.2708 6.2708 14.4563 14.4563 14.4563 14.4563 16.0806 16.0806 k = 0.5000 0.5000 0.7392 ( 2672 PWs) bands (ev): -17.7896 -17.7896 -17.7896 -17.7896 -17.6201 -17.6201 -17.6201 -17.6201 -1.5824 -1.5824 -1.5824 -1.5824 -0.7352 -0.7352 -0.7352 -0.7352 0.1008 0.1008 0.1008 0.1008 0.3907 0.3907 0.3907 0.3907 1.6998 1.6998 1.6998 1.6998 1.8130 1.8130 1.8130 1.8130 5.0298 5.0298 5.0298 5.0298 5.0513 5.0513 5.0513 5.0513 5.2071 5.2071 5.2071 5.2071 5.9709 5.9709 5.9709 5.9709 6.2710 6.2710 6.2710 6.2710 14.4624 14.4624 14.4624 14.4624 16.0968 16.0968 k = 0.5000 0.5000 0.7539 ( 2672 PWs) bands (ev): -17.7894 -17.7894 -17.7894 -17.7894 -17.6200 -17.6200 -17.6200 -17.6200 -1.5828 -1.5828 -1.5828 -1.5828 -0.7353 -0.7353 -0.7353 -0.7353 0.1006 0.1006 0.1006 0.1006 0.3898 0.3898 0.3898 0.3898 1.7001 1.7001 1.7001 1.7001 1.8138 1.8138 1.8138 1.8138 5.0299 5.0299 5.0299 5.0299 5.0513 5.0513 5.0513 5.0513 5.2073 5.2073 5.2073 5.2073 5.9706 5.9706 5.9706 5.9706 6.2711 6.2711 6.2711 6.2711 14.4644 14.4644 14.4644 14.4644 16.1023 16.1023 Writing output data file NiF2.save init_run : 0.15s CPU 0.30s WALL ( 1 calls) electrons : 135.48s CPU 138.58s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.01s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 135.47s CPU 138.57s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.03s CPU 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.04s WALL ( 394 calls) cegterg : 125.48s CPU 127.79s WALL ( 614 calls) Called by sum_band: Called by *egterg: h_psi : 57.82s CPU 59.39s WALL ( 9815 calls) s_psi : 3.90s CPU 4.00s WALL ( 9815 calls) g_psi : 0.16s CPU 0.18s WALL ( 8807 calls) cdiaghg : 57.99s CPU 59.22s WALL ( 9201 calls) cegterg:over : 5.15s CPU 5.01s WALL ( 8807 calls) cegterg:upda : 3.38s CPU 3.38s WALL ( 8807 calls) cegterg:last : 2.56s CPU 2.53s WALL ( 1400 calls) cdiaghg:chol : 3.04s CPU 3.12s WALL ( 9201 calls) cdiaghg:inve : 2.05s CPU 2.10s WALL ( 9201 calls) cdiaghg:para : 3.48s CPU 3.55s WALL ( 18402 calls) Called by h_psi: h_psi:vloc : 48.52s CPU 49.77s WALL ( 9815 calls) h_psi:vnl : 9.09s CPU 9.44s WALL ( 9815 calls) add_vuspsi : 4.35s CPU 4.70s WALL ( 9815 calls) General routines calbec : 4.72s CPU 4.72s WALL ( 9815 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 45.66s CPU 46.94s WALL ( 930696 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.20s CPU 0.20s WALL ( 788 calls) Parallel routines fft_scatter : 21.29s CPU 21.98s WALL ( 930719 calls) PWSCF : 2m31.85s CPU 2m51.79s WALL This run was terminated on: 18: 0:33 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=