Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:54:59 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: ./ZrCd.save/ file Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4D 4D 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 49 15 4 4409 763 124 Max 50 16 5 4420 782 137 Sum 1789 561 177 158897 27859 4785 bravais-lattice index = 14 lattice parameter (alat) = 5.9337 a.u. unit-cell volume = 582.1888 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 639.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.933740 celldm(2)= 1.000000 celldm(3)= 2.786624 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 2.786624 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 0.358857 ) PseudoPot. # 1 for Zr read from file: /users/gautes/Pseudo/Zr.rel-pbe-n-nc.UPF MD5 check sum: 453101d5cee66cf3691e2371f73c5d7d Pseudo is Norm-conserving + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1225 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 2 for Cd read from file: /users/gautes/Pseudo/Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1d41bce1441572f114805845d9d822b0 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1239 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 Zr 4.00 91.22400 Zr( 1.00) Cd 12.00 112.41100 Cd( 1.00) 16 Sym. Ops., with inversion, found (12 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 5 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 -1 0 ) f =( 0.5000000 ) ( -1 0 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) f =( 0.5000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) f =( -0.5000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) f =( -0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) f =( 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 9 inversion cryst. s( 9) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 9) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(10) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(10) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 11 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(11) = ( 1.0000000 -0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 12 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(12) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(12) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 13 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(13) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(13) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(14) = ( 0 1 0 ) f =( -0.5000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(14) = ( 0.0000000 1.0000000 -0.0000000 ) f =( -0.5000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 15 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(15) = ( 0 1 0 ) f =( 0.5000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(15) = ( 0.0000000 -1.0000000 -0.0000000 ) f =( 0.5000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 16 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(16) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(16) = ( -0.0000000 1.0000000 -0.0000000 ) f =( 0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) double point group D_4h(4/mmm) there are 14 classes and 4 irreducible representations the character table: E -E 2C4 -2C4 C2 2C2' 2C2'' i -i 2S4 -2S4 s_h -C2 -2C2' -2C2' -s_h G_6+ 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 2.00 -2.00 1.41 -1.41 0.00 G_7+ 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 2.00 -2.00 -1.41 1.41 0.00 G_6- 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 -2.00 2.00 -1.41 1.41 0.00 G_7- 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 -2.00 2.00 1.41 -1.41 0.00 2s_v 2s_d -2s_v -2s_d G_6+ 0.00 0.00 G_7+ 0.00 0.00 G_6- 0.00 0.00 G_7- 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C4 7 8 90 deg rotation - cart. axis [0,0,-1] -2C4 -7 -8 90 deg rotation - cart. axis [0,0,-1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 2C2'-2C2' 3 -3 4 -4 180 deg rotation - cart. axis [0,1,0] 2C2''-2C2' 5 -5 6 -6 180 deg rotation - cart. axis [1,1,0] i 9 inversion -i -9 inversion E 2S4 15 16 inv. 90 deg rotation - cart. axis [0,0,-1] -2S4 -15 -16 inv. 90 deg rotation - cart. axis [0,0,-1] E s_h -s_h 10 -10 inv. 180 deg rotation - cart. axis [0,0,1] 2s_v-2s_v 11 -11 12 -12 inv. 180 deg rotation - cart. axis [0,1,0] 2s_d-2s_d 13 -13 14 -14 inv. 180 deg rotation - cart. axis [1,1,0] Cartesian axes number of k points= 409 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024450 k( 2) = ( 0.0000000 0.0098039 -0.0000000), wk = 0.0024450 k( 3) = ( 0.0000000 0.0196078 -0.0000000), wk = 0.0024450 k( 4) = ( 0.0000000 0.0294118 -0.0000000), wk = 0.0024450 k( 5) = ( 0.0000000 0.0392157 -0.0000000), wk = 0.0024450 k( 6) = ( 0.0000000 0.0490196 -0.0000000), wk = 0.0024450 k( 7) = ( 0.0000000 0.0588235 -0.0000000), wk = 0.0024450 k( 8) = ( 0.0000000 0.0686275 -0.0000000), wk = 0.0024450 k( 9) = ( 0.0000000 0.0784314 -0.0000000), wk = 0.0024450 k( 10) = ( 0.0000000 0.0882353 -0.0000000), wk = 0.0024450 k( 11) = ( 0.0000000 0.0980392 -0.0000000), wk = 0.0024450 k( 12) = ( 0.0000000 0.1078431 -0.0000000), wk = 0.0024450 k( 13) = ( 0.0000000 0.1176471 -0.0000000), wk = 0.0024450 k( 14) = ( 0.0000000 0.1274510 -0.0000000), wk = 0.0024450 k( 15) = ( 0.0000000 0.1372549 -0.0000000), wk = 0.0024450 k( 16) = ( 0.0000000 0.1470588 -0.0000000), wk = 0.0024450 k( 17) = ( 0.0000000 0.1568627 -0.0000000), wk = 0.0024450 k( 18) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0024450 k( 19) = ( 0.0000000 0.1764706 -0.0000000), wk = 0.0024450 k( 20) = ( 0.0000000 0.1862745 -0.0000000), wk = 0.0024450 k( 21) = ( 0.0000000 0.1960784 -0.0000000), wk = 0.0024450 k( 22) = ( 0.0000000 0.2058823 -0.0000000), wk = 0.0024450 k( 23) = ( 0.0000000 0.2156863 -0.0000000), wk = 0.0024450 k( 24) = ( 0.0000000 0.2254902 -0.0000000), wk = 0.0024450 k( 25) = ( 0.0000000 0.2352941 -0.0000000), wk = 0.0024450 k( 26) = ( 0.0000000 0.2450980 -0.0000000), wk = 0.0024450 k( 27) = ( 0.0000000 0.2549020 -0.0000000), wk = 0.0024450 k( 28) = ( 0.0000000 0.2647059 -0.0000000), wk = 0.0024450 k( 29) = ( 0.0000000 0.2745098 -0.0000000), wk = 0.0024450 k( 30) = ( 0.0000000 0.2843137 -0.0000000), wk = 0.0024450 k( 31) = ( 0.0000000 0.2941177 -0.0000000), wk = 0.0024450 k( 32) = ( 0.0000000 0.3039216 -0.0000000), wk = 0.0024450 k( 33) = ( 0.0000000 0.3137255 -0.0000000), wk = 0.0024450 k( 34) = ( 0.0000000 0.3235294 -0.0000000), wk = 0.0024450 k( 35) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0024450 k( 36) = ( 0.0000000 0.3431373 -0.0000000), wk = 0.0024450 k( 37) = ( 0.0000000 0.3529412 -0.0000000), wk = 0.0024450 k( 38) = ( 0.0000000 0.3627451 -0.0000000), wk = 0.0024450 k( 39) = ( 0.0000000 0.3725490 -0.0000000), wk = 0.0024450 k( 40) = ( 0.0000000 0.3823529 -0.0000000), wk = 0.0024450 k( 41) = ( 0.0000000 0.3921569 -0.0000000), wk = 0.0024450 k( 42) = ( 0.0000000 0.4019608 -0.0000000), wk = 0.0024450 k( 43) = ( 0.0000000 0.4117647 -0.0000000), wk = 0.0024450 k( 44) = ( 0.0000000 0.4215686 -0.0000000), wk = 0.0024450 k( 45) = ( 0.0000000 0.4313726 -0.0000000), wk = 0.0024450 k( 46) = ( 0.0000000 0.4411765 -0.0000000), wk = 0.0024450 k( 47) = ( 0.0000000 0.4509804 -0.0000000), wk = 0.0024450 k( 48) = ( 0.0000000 0.4607843 -0.0000000), wk = 0.0024450 k( 49) = ( 0.0000000 0.4705882 -0.0000000), wk = 0.0024450 k( 50) = ( 0.0000000 0.4803922 -0.0000000), wk = 0.0024450 k( 51) = ( 0.0000000 0.4901961 -0.0000000), wk = 0.0024450 k( 52) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0024450 k( 53) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0024450 k( 54) = ( 0.0098039 0.5000000 -0.0000000), wk = 0.0024450 k( 55) = ( 0.0196078 0.5000000 -0.0000000), wk = 0.0024450 k( 56) = ( 0.0294118 0.5000000 -0.0000000), wk = 0.0024450 k( 57) = ( 0.0392157 0.5000000 -0.0000000), wk = 0.0024450 k( 58) = ( 0.0490196 0.5000000 -0.0000000), wk = 0.0024450 k( 59) = ( 0.0588235 0.5000000 -0.0000000), wk = 0.0024450 k( 60) = ( 0.0686275 0.5000000 -0.0000000), wk = 0.0024450 k( 61) = ( 0.0784314 0.5000000 -0.0000000), wk = 0.0024450 k( 62) = ( 0.0882353 0.5000000 -0.0000000), wk = 0.0024450 k( 63) = ( 0.0980392 0.5000000 -0.0000000), wk = 0.0024450 k( 64) = ( 0.1078431 0.5000000 -0.0000000), wk = 0.0024450 k( 65) = ( 0.1176471 0.5000000 -0.0000000), wk = 0.0024450 k( 66) = ( 0.1274510 0.5000000 -0.0000000), wk = 0.0024450 k( 67) = ( 0.1372549 0.5000000 -0.0000000), wk = 0.0024450 k( 68) = ( 0.1470588 0.5000000 -0.0000000), wk = 0.0024450 k( 69) = ( 0.1568627 0.5000000 -0.0000000), wk = 0.0024450 k( 70) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0024450 k( 71) = ( 0.1764706 0.5000000 -0.0000000), wk = 0.0024450 k( 72) = ( 0.1862745 0.5000000 -0.0000000), wk = 0.0024450 k( 73) = ( 0.1960784 0.5000000 -0.0000000), wk = 0.0024450 k( 74) = ( 0.2058823 0.5000000 -0.0000000), wk = 0.0024450 k( 75) = ( 0.2156863 0.5000000 -0.0000000), wk = 0.0024450 k( 76) = ( 0.2254902 0.5000000 -0.0000000), wk = 0.0024450 k( 77) = ( 0.2352941 0.5000000 -0.0000000), wk = 0.0024450 k( 78) = ( 0.2450980 0.5000000 -0.0000000), wk = 0.0024450 k( 79) = ( 0.2549020 0.5000000 -0.0000000), wk = 0.0024450 k( 80) = ( 0.2647059 0.5000000 -0.0000000), wk = 0.0024450 k( 81) = ( 0.2745098 0.5000000 -0.0000000), wk = 0.0024450 k( 82) = ( 0.2843137 0.5000000 -0.0000000), wk = 0.0024450 k( 83) = ( 0.2941177 0.5000000 -0.0000000), wk = 0.0024450 k( 84) = ( 0.3039216 0.5000000 -0.0000000), wk = 0.0024450 k( 85) = ( 0.3137255 0.5000000 -0.0000000), wk = 0.0024450 k( 86) = ( 0.3235294 0.5000000 -0.0000000), wk = 0.0024450 k( 87) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0024450 k( 88) = ( 0.3431373 0.5000000 -0.0000000), wk = 0.0024450 k( 89) = ( 0.3529412 0.5000000 -0.0000000), wk = 0.0024450 k( 90) = ( 0.3627451 0.5000000 -0.0000000), wk = 0.0024450 k( 91) = ( 0.3725490 0.5000000 -0.0000000), wk = 0.0024450 k( 92) = ( 0.3823529 0.5000000 -0.0000000), wk = 0.0024450 k( 93) = ( 0.3921569 0.5000000 -0.0000000), wk = 0.0024450 k( 94) = ( 0.4019608 0.5000000 -0.0000000), wk = 0.0024450 k( 95) = ( 0.4117647 0.5000000 -0.0000000), wk = 0.0024450 k( 96) = ( 0.4215686 0.5000000 -0.0000000), wk = 0.0024450 k( 97) = ( 0.4313726 0.5000000 -0.0000000), wk = 0.0024450 k( 98) = ( 0.4411765 0.5000000 -0.0000000), wk = 0.0024450 k( 99) = ( 0.4509804 0.5000000 -0.0000000), wk = 0.0024450 k( 100) = ( 0.4607843 0.5000000 -0.0000000), wk = 0.0024450 k( 101) = ( 0.4705882 0.5000000 -0.0000000), wk = 0.0024450 k( 102) = ( 0.4803922 0.5000000 -0.0000000), wk = 0.0024450 k( 103) = ( 0.4901961 0.5000000 -0.0000000), wk = 0.0024450 k( 104) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0024450 k( 105) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0024450 k( 106) = ( 0.4929577 0.4929577 -0.0000000), wk = 0.0024450 k( 107) = ( 0.4859155 0.4859155 -0.0000000), wk = 0.0024450 k( 108) = ( 0.4788732 0.4788732 -0.0000000), wk = 0.0024450 k( 109) = ( 0.4718310 0.4718310 -0.0000000), wk = 0.0024450 k( 110) = ( 0.4647887 0.4647887 -0.0000000), wk = 0.0024450 k( 111) = ( 0.4577465 0.4577465 -0.0000000), wk = 0.0024450 k( 112) = ( 0.4507042 0.4507042 -0.0000000), wk = 0.0024450 k( 113) = ( 0.4436620 0.4436620 -0.0000000), wk = 0.0024450 k( 114) = ( 0.4366197 0.4366197 -0.0000000), wk = 0.0024450 k( 115) = ( 0.4295775 0.4295775 -0.0000000), wk = 0.0024450 k( 116) = ( 0.4225352 0.4225352 -0.0000000), wk = 0.0024450 k( 117) = ( 0.4154930 0.4154930 -0.0000000), wk = 0.0024450 k( 118) = ( 0.4084507 0.4084507 -0.0000000), wk = 0.0024450 k( 119) = ( 0.4014085 0.4014084 -0.0000000), wk = 0.0024450 k( 120) = ( 0.3943662 0.3943662 -0.0000000), wk = 0.0024450 k( 121) = ( 0.3873239 0.3873239 -0.0000000), wk = 0.0024450 k( 122) = ( 0.3802817 0.3802817 -0.0000000), wk = 0.0024450 k( 123) = ( 0.3732394 0.3732394 -0.0000000), wk = 0.0024450 k( 124) = ( 0.3661972 0.3661972 -0.0000000), wk = 0.0024450 k( 125) = ( 0.3591549 0.3591549 -0.0000000), wk = 0.0024450 k( 126) = ( 0.3521127 0.3521127 -0.0000000), wk = 0.0024450 k( 127) = ( 0.3450704 0.3450704 -0.0000000), wk = 0.0024450 k( 128) = ( 0.3380282 0.3380282 -0.0000000), wk = 0.0024450 k( 129) = ( 0.3309859 0.3309859 -0.0000000), wk = 0.0024450 k( 130) = ( 0.3239437 0.3239437 -0.0000000), wk = 0.0024450 k( 131) = ( 0.3169014 0.3169014 -0.0000000), wk = 0.0024450 k( 132) = ( 0.3098592 0.3098591 -0.0000000), wk = 0.0024450 k( 133) = ( 0.3028169 0.3028169 -0.0000000), wk = 0.0024450 k( 134) = ( 0.2957746 0.2957746 -0.0000000), wk = 0.0024450 k( 135) = ( 0.2887324 0.2887324 -0.0000000), wk = 0.0024450 k( 136) = ( 0.2816901 0.2816901 -0.0000000), wk = 0.0024450 k( 137) = ( 0.2746479 0.2746479 -0.0000000), wk = 0.0024450 k( 138) = ( 0.2676056 0.2676056 -0.0000000), wk = 0.0024450 k( 139) = ( 0.2605634 0.2605634 -0.0000000), wk = 0.0024450 k( 140) = ( 0.2535211 0.2535211 -0.0000000), wk = 0.0024450 k( 141) = ( 0.2464789 0.2464789 -0.0000000), wk = 0.0024450 k( 142) = ( 0.2394366 0.2394366 -0.0000000), wk = 0.0024450 k( 143) = ( 0.2323944 0.2323944 -0.0000000), wk = 0.0024450 k( 144) = ( 0.2253521 0.2253521 -0.0000000), wk = 0.0024450 k( 145) = ( 0.2183099 0.2183099 -0.0000000), wk = 0.0024450 k( 146) = ( 0.2112676 0.2112676 -0.0000000), wk = 0.0024450 k( 147) = ( 0.2042253 0.2042253 -0.0000000), wk = 0.0024450 k( 148) = ( 0.1971831 0.1971831 -0.0000000), wk = 0.0024450 k( 149) = ( 0.1901409 0.1901408 -0.0000000), wk = 0.0024450 k( 150) = ( 0.1830986 0.1830986 -0.0000000), wk = 0.0024450 k( 151) = ( 0.1760563 0.1760563 -0.0000000), wk = 0.0024450 k( 152) = ( 0.1690141 0.1690141 -0.0000000), wk = 0.0024450 k( 153) = ( 0.1619718 0.1619718 -0.0000000), wk = 0.0024450 k( 154) = ( 0.1549296 0.1549296 -0.0000000), wk = 0.0024450 k( 155) = ( 0.1478873 0.1478873 -0.0000000), wk = 0.0024450 k( 156) = ( 0.1408451 0.1408451 -0.0000000), wk = 0.0024450 k( 157) = ( 0.1338028 0.1338028 -0.0000000), wk = 0.0024450 k( 158) = ( 0.1267606 0.1267606 -0.0000000), wk = 0.0024450 k( 159) = ( 0.1197183 0.1197183 -0.0000000), wk = 0.0024450 k( 160) = ( 0.1126761 0.1126761 -0.0000000), wk = 0.0024450 k( 161) = ( 0.1056338 0.1056338 -0.0000000), wk = 0.0024450 k( 162) = ( 0.0985916 0.0985915 -0.0000000), wk = 0.0024450 k( 163) = ( 0.0915493 0.0915493 -0.0000000), wk = 0.0024450 k( 164) = ( 0.0845070 0.0845070 -0.0000000), wk = 0.0024450 k( 165) = ( 0.0774648 0.0774648 -0.0000000), wk = 0.0024450 k( 166) = ( 0.0704225 0.0704225 -0.0000000), wk = 0.0024450 k( 167) = ( 0.0633803 0.0633803 -0.0000000), wk = 0.0024450 k( 168) = ( 0.0563380 0.0563380 -0.0000000), wk = 0.0024450 k( 169) = ( 0.0492958 0.0492958 -0.0000000), wk = 0.0024450 k( 170) = ( 0.0422535 0.0422535 -0.0000000), wk = 0.0024450 k( 171) = ( 0.0352113 0.0352113 -0.0000000), wk = 0.0024450 k( 172) = ( 0.0281690 0.0281690 -0.0000000), wk = 0.0024450 k( 173) = ( 0.0211268 0.0211268 -0.0000000), wk = 0.0024450 k( 174) = ( 0.0140845 0.0140845 -0.0000000), wk = 0.0024450 k( 175) = ( 0.0070422 0.0070422 -0.0000000), wk = 0.0024450 k( 176) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024450 k( 177) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024450 k( 178) = ( 0.0000000 0.0000000 0.0099683), wk = 0.0024450 k( 179) = ( 0.0000000 0.0000000 0.0199365), wk = 0.0024450 k( 180) = ( 0.0000000 0.0000000 0.0299048), wk = 0.0024450 k( 181) = ( 0.0000000 0.0000000 0.0398730), wk = 0.0024450 k( 182) = ( 0.0000000 0.0000000 0.0498413), wk = 0.0024450 k( 183) = ( 0.0000000 0.0000000 0.0598095), wk = 0.0024450 k( 184) = ( 0.0000000 0.0000000 0.0697778), wk = 0.0024450 k( 185) = ( 0.0000000 0.0000000 0.0797460), wk = 0.0024450 k( 186) = ( 0.0000000 0.0000000 0.0897143), wk = 0.0024450 k( 187) = ( 0.0000000 0.0000000 0.0996825), wk = 0.0024450 k( 188) = ( 0.0000000 0.0000000 0.1096508), wk = 0.0024450 k( 189) = ( 0.0000000 0.0000000 0.1196190), wk = 0.0024450 k( 190) = ( 0.0000000 0.0000000 0.1295873), wk = 0.0024450 k( 191) = ( 0.0000000 0.0000000 0.1395556), wk = 0.0024450 k( 192) = ( 0.0000000 0.0000000 0.1495238), wk = 0.0024450 k( 193) = ( 0.0000000 0.0000000 0.1594921), wk = 0.0024450 k( 194) = ( 0.0000000 0.0000000 0.1694603), wk = 0.0024450 k( 195) = ( 0.0000000 0.0000000 0.1794286), wk = 0.0024450 k( 196) = ( 0.0000000 0.0000000 0.1794286), wk = 0.0024450 k( 197) = ( 0.0000000 0.0098039 0.1794286), wk = 0.0024450 k( 198) = ( 0.0000000 0.0196078 0.1794286), wk = 0.0024450 k( 199) = ( 0.0000000 0.0294118 0.1794286), wk = 0.0024450 k( 200) = ( 0.0000000 0.0392157 0.1794286), wk = 0.0024450 k( 201) = ( 0.0000000 0.0490196 0.1794286), wk = 0.0024450 k( 202) = ( 0.0000000 0.0588235 0.1794286), wk = 0.0024450 k( 203) = ( 0.0000000 0.0686275 0.1794286), wk = 0.0024450 k( 204) = ( 0.0000000 0.0784314 0.1794286), wk = 0.0024450 k( 205) = ( 0.0000000 0.0882353 0.1794286), wk = 0.0024450 k( 206) = ( 0.0000000 0.0980392 0.1794286), wk = 0.0024450 k( 207) = ( 0.0000000 0.1078431 0.1794286), wk = 0.0024450 k( 208) = ( 0.0000000 0.1176471 0.1794286), wk = 0.0024450 k( 209) = ( 0.0000000 0.1274510 0.1794286), wk = 0.0024450 k( 210) = ( 0.0000000 0.1372549 0.1794286), wk = 0.0024450 k( 211) = ( 0.0000000 0.1470588 0.1794286), wk = 0.0024450 k( 212) = ( 0.0000000 0.1568627 0.1794286), wk = 0.0024450 k( 213) = ( 0.0000000 0.1666667 0.1794286), wk = 0.0024450 k( 214) = ( 0.0000000 0.1764706 0.1794286), wk = 0.0024450 k( 215) = ( 0.0000000 0.1862745 0.1794286), wk = 0.0024450 k( 216) = ( 0.0000000 0.1960784 0.1794286), wk = 0.0024450 k( 217) = ( 0.0000000 0.2058823 0.1794286), wk = 0.0024450 k( 218) = ( 0.0000000 0.2156863 0.1794286), wk = 0.0024450 k( 219) = ( 0.0000000 0.2254902 0.1794286), wk = 0.0024450 k( 220) = ( 0.0000000 0.2352941 0.1794286), wk = 0.0024450 k( 221) = ( 0.0000000 0.2450980 0.1794286), wk = 0.0024450 k( 222) = ( 0.0000000 0.2549020 0.1794286), wk = 0.0024450 k( 223) = ( 0.0000000 0.2647059 0.1794286), wk = 0.0024450 k( 224) = ( 0.0000000 0.2745098 0.1794286), wk = 0.0024450 k( 225) = ( 0.0000000 0.2843137 0.1794286), wk = 0.0024450 k( 226) = ( 0.0000000 0.2941177 0.1794286), wk = 0.0024450 k( 227) = ( 0.0000000 0.3039216 0.1794286), wk = 0.0024450 k( 228) = ( 0.0000000 0.3137255 0.1794286), wk = 0.0024450 k( 229) = ( 0.0000000 0.3235294 0.1794286), wk = 0.0024450 k( 230) = ( 0.0000000 0.3333333 0.1794286), wk = 0.0024450 k( 231) = ( 0.0000000 0.3431373 0.1794286), wk = 0.0024450 k( 232) = ( 0.0000000 0.3529412 0.1794286), wk = 0.0024450 k( 233) = ( 0.0000000 0.3627451 0.1794286), wk = 0.0024450 k( 234) = ( 0.0000000 0.3725490 0.1794286), wk = 0.0024450 k( 235) = ( 0.0000000 0.3823529 0.1794286), wk = 0.0024450 k( 236) = ( 0.0000000 0.3921569 0.1794286), wk = 0.0024450 k( 237) = ( 0.0000000 0.4019608 0.1794286), wk = 0.0024450 k( 238) = ( 0.0000000 0.4117647 0.1794286), wk = 0.0024450 k( 239) = ( 0.0000000 0.4215686 0.1794286), wk = 0.0024450 k( 240) = ( 0.0000000 0.4313726 0.1794286), wk = 0.0024450 k( 241) = ( 0.0000000 0.4411765 0.1794286), wk = 0.0024450 k( 242) = ( 0.0000000 0.4509804 0.1794286), wk = 0.0024450 k( 243) = ( 0.0000000 0.4607843 0.1794286), wk = 0.0024450 k( 244) = ( 0.0000000 0.4705882 0.1794286), wk = 0.0024450 k( 245) = ( 0.0000000 0.4803922 0.1794286), wk = 0.0024450 k( 246) = ( 0.0000000 0.4901961 0.1794286), wk = 0.0024450 k( 247) = ( 0.0000000 0.5000000 0.1794286), wk = 0.0024450 k( 248) = ( 0.0000000 0.5000000 0.1794286), wk = 0.0024450 k( 249) = ( 0.0098039 0.5000000 0.1794286), wk = 0.0024450 k( 250) = ( 0.0196078 0.5000000 0.1794286), wk = 0.0024450 k( 251) = ( 0.0294118 0.5000000 0.1794286), wk = 0.0024450 k( 252) = ( 0.0392157 0.5000000 0.1794286), wk = 0.0024450 k( 253) = ( 0.0490196 0.5000000 0.1794286), wk = 0.0024450 k( 254) = ( 0.0588235 0.5000000 0.1794286), wk = 0.0024450 k( 255) = ( 0.0686275 0.5000000 0.1794286), wk = 0.0024450 k( 256) = ( 0.0784314 0.5000000 0.1794286), wk = 0.0024450 k( 257) = ( 0.0882353 0.5000000 0.1794286), wk = 0.0024450 k( 258) = ( 0.0980392 0.5000000 0.1794286), wk = 0.0024450 k( 259) = ( 0.1078431 0.5000000 0.1794286), wk = 0.0024450 k( 260) = ( 0.1176471 0.5000000 0.1794286), wk = 0.0024450 k( 261) = ( 0.1274510 0.5000000 0.1794286), wk = 0.0024450 k( 262) = ( 0.1372549 0.5000000 0.1794286), wk = 0.0024450 k( 263) = ( 0.1470588 0.5000000 0.1794286), wk = 0.0024450 k( 264) = ( 0.1568627 0.5000000 0.1794286), wk = 0.0024450 k( 265) = ( 0.1666667 0.5000000 0.1794286), wk = 0.0024450 k( 266) = ( 0.1764706 0.5000000 0.1794286), wk = 0.0024450 k( 267) = ( 0.1862745 0.5000000 0.1794286), wk = 0.0024450 k( 268) = ( 0.1960784 0.5000000 0.1794286), wk = 0.0024450 k( 269) = ( 0.2058823 0.5000000 0.1794286), wk = 0.0024450 k( 270) = ( 0.2156863 0.5000000 0.1794286), wk = 0.0024450 k( 271) = ( 0.2254902 0.5000000 0.1794286), wk = 0.0024450 k( 272) = ( 0.2352941 0.5000000 0.1794286), wk = 0.0024450 k( 273) = ( 0.2450980 0.5000000 0.1794286), wk = 0.0024450 k( 274) = ( 0.2549020 0.5000000 0.1794286), wk = 0.0024450 k( 275) = ( 0.2647059 0.5000000 0.1794286), wk = 0.0024450 k( 276) = ( 0.2745098 0.5000000 0.1794286), wk = 0.0024450 k( 277) = ( 0.2843137 0.5000000 0.1794286), wk = 0.0024450 k( 278) = ( 0.2941177 0.5000000 0.1794286), wk = 0.0024450 k( 279) = ( 0.3039216 0.5000000 0.1794286), wk = 0.0024450 k( 280) = ( 0.3137255 0.5000000 0.1794286), wk = 0.0024450 k( 281) = ( 0.3235294 0.5000000 0.1794286), wk = 0.0024450 k( 282) = ( 0.3333333 0.5000000 0.1794286), wk = 0.0024450 k( 283) = ( 0.3431373 0.5000000 0.1794286), wk = 0.0024450 k( 284) = ( 0.3529412 0.5000000 0.1794286), wk = 0.0024450 k( 285) = ( 0.3627451 0.5000000 0.1794286), wk = 0.0024450 k( 286) = ( 0.3725490 0.5000000 0.1794286), wk = 0.0024450 k( 287) = ( 0.3823529 0.5000000 0.1794286), wk = 0.0024450 k( 288) = ( 0.3921569 0.5000000 0.1794286), wk = 0.0024450 k( 289) = ( 0.4019608 0.5000000 0.1794286), wk = 0.0024450 k( 290) = ( 0.4117647 0.5000000 0.1794286), wk = 0.0024450 k( 291) = ( 0.4215686 0.5000000 0.1794286), wk = 0.0024450 k( 292) = ( 0.4313726 0.5000000 0.1794286), wk = 0.0024450 k( 293) = ( 0.4411765 0.5000000 0.1794286), wk = 0.0024450 k( 294) = ( 0.4509804 0.5000000 0.1794286), wk = 0.0024450 k( 295) = ( 0.4607843 0.5000000 0.1794286), wk = 0.0024450 k( 296) = ( 0.4705882 0.5000000 0.1794286), wk = 0.0024450 k( 297) = ( 0.4803922 0.5000000 0.1794286), wk = 0.0024450 k( 298) = ( 0.4901961 0.5000000 0.1794286), wk = 0.0024450 k( 299) = ( 0.5000000 0.5000000 0.1794286), wk = 0.0024450 k( 300) = ( 0.5000000 0.5000000 0.1794286), wk = 0.0024450 k( 301) = ( 0.4929577 0.4929577 0.1794286), wk = 0.0024450 k( 302) = ( 0.4859155 0.4859155 0.1794286), wk = 0.0024450 k( 303) = ( 0.4788732 0.4788732 0.1794286), wk = 0.0024450 k( 304) = ( 0.4718310 0.4718310 0.1794286), wk = 0.0024450 k( 305) = ( 0.4647887 0.4647887 0.1794286), wk = 0.0024450 k( 306) = ( 0.4577465 0.4577465 0.1794286), wk = 0.0024450 k( 307) = ( 0.4507042 0.4507042 0.1794286), wk = 0.0024450 k( 308) = ( 0.4436620 0.4436620 0.1794286), wk = 0.0024450 k( 309) = ( 0.4366197 0.4366197 0.1794286), wk = 0.0024450 k( 310) = ( 0.4295775 0.4295775 0.1794286), wk = 0.0024450 k( 311) = ( 0.4225352 0.4225352 0.1794286), wk = 0.0024450 k( 312) = ( 0.4154930 0.4154930 0.1794286), wk = 0.0024450 k( 313) = ( 0.4084507 0.4084507 0.1794286), wk = 0.0024450 k( 314) = ( 0.4014085 0.4014084 0.1794286), wk = 0.0024450 k( 315) = ( 0.3943662 0.3943662 0.1794286), wk = 0.0024450 k( 316) = ( 0.3873239 0.3873239 0.1794286), wk = 0.0024450 k( 317) = ( 0.3802817 0.3802817 0.1794286), wk = 0.0024450 k( 318) = ( 0.3732394 0.3732394 0.1794286), wk = 0.0024450 k( 319) = ( 0.3661972 0.3661972 0.1794286), wk = 0.0024450 k( 320) = ( 0.3591549 0.3591549 0.1794286), wk = 0.0024450 k( 321) = ( 0.3521127 0.3521127 0.1794286), wk = 0.0024450 k( 322) = ( 0.3450704 0.3450704 0.1794286), wk = 0.0024450 k( 323) = ( 0.3380282 0.3380282 0.1794286), wk = 0.0024450 k( 324) = ( 0.3309859 0.3309859 0.1794286), wk = 0.0024450 k( 325) = ( 0.3239437 0.3239437 0.1794286), wk = 0.0024450 k( 326) = ( 0.3169014 0.3169014 0.1794286), wk = 0.0024450 k( 327) = ( 0.3098592 0.3098591 0.1794286), wk = 0.0024450 k( 328) = ( 0.3028169 0.3028169 0.1794286), wk = 0.0024450 k( 329) = ( 0.2957746 0.2957746 0.1794286), wk = 0.0024450 k( 330) = ( 0.2887324 0.2887324 0.1794286), wk = 0.0024450 k( 331) = ( 0.2816901 0.2816901 0.1794286), wk = 0.0024450 k( 332) = ( 0.2746479 0.2746479 0.1794286), wk = 0.0024450 k( 333) = ( 0.2676056 0.2676056 0.1794286), wk = 0.0024450 k( 334) = ( 0.2605634 0.2605634 0.1794286), wk = 0.0024450 k( 335) = ( 0.2535211 0.2535211 0.1794286), wk = 0.0024450 k( 336) = ( 0.2464789 0.2464789 0.1794286), wk = 0.0024450 k( 337) = ( 0.2394366 0.2394366 0.1794286), wk = 0.0024450 k( 338) = ( 0.2323944 0.2323944 0.1794286), wk = 0.0024450 k( 339) = ( 0.2253521 0.2253521 0.1794286), wk = 0.0024450 k( 340) = ( 0.2183099 0.2183099 0.1794286), wk = 0.0024450 k( 341) = ( 0.2112676 0.2112676 0.1794286), wk = 0.0024450 k( 342) = ( 0.2042253 0.2042253 0.1794286), wk = 0.0024450 k( 343) = ( 0.1971831 0.1971831 0.1794286), wk = 0.0024450 k( 344) = ( 0.1901409 0.1901408 0.1794286), wk = 0.0024450 k( 345) = ( 0.1830986 0.1830986 0.1794286), wk = 0.0024450 k( 346) = ( 0.1760563 0.1760563 0.1794286), wk = 0.0024450 k( 347) = ( 0.1690141 0.1690141 0.1794286), wk = 0.0024450 k( 348) = ( 0.1619718 0.1619718 0.1794286), wk = 0.0024450 k( 349) = ( 0.1549296 0.1549296 0.1794286), wk = 0.0024450 k( 350) = ( 0.1478873 0.1478873 0.1794286), wk = 0.0024450 k( 351) = ( 0.1408451 0.1408451 0.1794286), wk = 0.0024450 k( 352) = ( 0.1338028 0.1338028 0.1794286), wk = 0.0024450 k( 353) = ( 0.1267606 0.1267606 0.1794286), wk = 0.0024450 k( 354) = ( 0.1197183 0.1197183 0.1794286), wk = 0.0024450 k( 355) = ( 0.1126761 0.1126761 0.1794286), wk = 0.0024450 k( 356) = ( 0.1056338 0.1056338 0.1794286), wk = 0.0024450 k( 357) = ( 0.0985916 0.0985915 0.1794286), wk = 0.0024450 k( 358) = ( 0.0915493 0.0915493 0.1794286), wk = 0.0024450 k( 359) = ( 0.0845070 0.0845070 0.1794286), wk = 0.0024450 k( 360) = ( 0.0774648 0.0774648 0.1794286), wk = 0.0024450 k( 361) = ( 0.0704225 0.0704225 0.1794286), wk = 0.0024450 k( 362) = ( 0.0633803 0.0633803 0.1794286), wk = 0.0024450 k( 363) = ( 0.0563380 0.0563380 0.1794286), wk = 0.0024450 k( 364) = ( 0.0492958 0.0492958 0.1794286), wk = 0.0024450 k( 365) = ( 0.0422535 0.0422535 0.1794286), wk = 0.0024450 k( 366) = ( 0.0352113 0.0352113 0.1794286), wk = 0.0024450 k( 367) = ( 0.0281690 0.0281690 0.1794286), wk = 0.0024450 k( 368) = ( 0.0211268 0.0211268 0.1794286), wk = 0.0024450 k( 369) = ( 0.0140845 0.0140845 0.1794286), wk = 0.0024450 k( 370) = ( 0.0070422 0.0070422 0.1794286), wk = 0.0024450 k( 371) = ( 0.0000000 0.0000000 0.1794286), wk = 0.0024450 k( 372) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0024450 k( 373) = ( 0.0000000 0.5000000 0.0099683), wk = 0.0024450 k( 374) = ( 0.0000000 0.5000000 0.0199365), wk = 0.0024450 k( 375) = ( 0.0000000 0.5000000 0.0299048), wk = 0.0024450 k( 376) = ( 0.0000000 0.5000000 0.0398730), wk = 0.0024450 k( 377) = ( 0.0000000 0.5000000 0.0498413), wk = 0.0024450 k( 378) = ( 0.0000000 0.5000000 0.0598095), wk = 0.0024450 k( 379) = ( 0.0000000 0.5000000 0.0697778), wk = 0.0024450 k( 380) = ( 0.0000000 0.5000000 0.0797460), wk = 0.0024450 k( 381) = ( 0.0000000 0.5000000 0.0897143), wk = 0.0024450 k( 382) = ( 0.0000000 0.5000000 0.0996825), wk = 0.0024450 k( 383) = ( 0.0000000 0.5000000 0.1096508), wk = 0.0024450 k( 384) = ( 0.0000000 0.5000000 0.1196190), wk = 0.0024450 k( 385) = ( 0.0000000 0.5000000 0.1295873), wk = 0.0024450 k( 386) = ( 0.0000000 0.5000000 0.1395556), wk = 0.0024450 k( 387) = ( 0.0000000 0.5000000 0.1495238), wk = 0.0024450 k( 388) = ( 0.0000000 0.5000000 0.1594921), wk = 0.0024450 k( 389) = ( 0.0000000 0.5000000 0.1694603), wk = 0.0024450 k( 390) = ( 0.0000000 0.5000000 0.1794286), wk = 0.0024450 k( 391) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0024450 k( 392) = ( 0.5000000 0.5000000 0.0099683), wk = 0.0024450 k( 393) = ( 0.5000000 0.5000000 0.0199365), wk = 0.0024450 k( 394) = ( 0.5000000 0.5000000 0.0299048), wk = 0.0024450 k( 395) = ( 0.5000000 0.5000000 0.0398730), wk = 0.0024450 k( 396) = ( 0.5000000 0.5000000 0.0498413), wk = 0.0024450 k( 397) = ( 0.5000000 0.5000000 0.0598095), wk = 0.0024450 k( 398) = ( 0.5000000 0.5000000 0.0697778), wk = 0.0024450 k( 399) = ( 0.5000000 0.5000000 0.0797460), wk = 0.0024450 k( 400) = ( 0.5000000 0.5000000 0.0897143), wk = 0.0024450 k( 401) = ( 0.5000000 0.5000000 0.0996825), wk = 0.0024450 k( 402) = ( 0.5000000 0.5000000 0.1096508), wk = 0.0024450 k( 403) = ( 0.5000000 0.5000000 0.1196190), wk = 0.0024450 k( 404) = ( 0.5000000 0.5000000 0.1295873), wk = 0.0024450 k( 405) = ( 0.5000000 0.5000000 0.1395556), wk = 0.0024450 k( 406) = ( 0.5000000 0.5000000 0.1495238), wk = 0.0024450 k( 407) = ( 0.5000000 0.5000000 0.1594921), wk = 0.0024450 k( 408) = ( 0.5000000 0.5000000 0.1694603), wk = 0.0024450 k( 409) = ( 0.5000000 0.5000000 0.1794286), wk = 0.0024450 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024450 k( 2) = ( 0.0000000 0.0098039 -0.0000000), wk = 0.0024450 k( 3) = ( 0.0000000 0.0196078 -0.0000000), wk = 0.0024450 k( 4) = ( 0.0000000 0.0294118 -0.0000000), wk = 0.0024450 k( 5) = ( 0.0000000 0.0392157 0.0000000), wk = 0.0024450 k( 6) = ( 0.0000000 0.0490196 0.0000000), wk = 0.0024450 k( 7) = ( 0.0000000 0.0588235 -0.0000000), wk = 0.0024450 k( 8) = ( 0.0000000 0.0686275 -0.0000000), wk = 0.0024450 k( 9) = ( 0.0000000 0.0784314 0.0000000), wk = 0.0024450 k( 10) = ( 0.0000000 0.0882353 0.0000000), wk = 0.0024450 k( 11) = ( 0.0000000 0.0980392 0.0000000), wk = 0.0024450 k( 12) = ( 0.0000000 0.1078431 0.0000000), wk = 0.0024450 k( 13) = ( 0.0000000 0.1176471 -0.0000000), wk = 0.0024450 k( 14) = ( 0.0000000 0.1274510 0.0000000), wk = 0.0024450 k( 15) = ( 0.0000000 0.1372549 -0.0000000), wk = 0.0024450 k( 16) = ( 0.0000000 0.1470588 0.0000000), wk = 0.0024450 k( 17) = ( 0.0000000 0.1568627 0.0000000), wk = 0.0024450 k( 18) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0024450 k( 19) = ( 0.0000000 0.1764706 -0.0000000), wk = 0.0024450 k( 20) = ( 0.0000000 0.1862745 -0.0000000), wk = 0.0024450 k( 21) = ( 0.0000000 0.1960784 -0.0000000), wk = 0.0024450 k( 22) = ( 0.0000000 0.2058823 -0.0000000), wk = 0.0024450 k( 23) = ( 0.0000000 0.2156863 -0.0000000), wk = 0.0024450 k( 24) = ( 0.0000000 0.2254902 0.0000000), wk = 0.0024450 k( 25) = ( 0.0000000 0.2352941 -0.0000000), wk = 0.0024450 k( 26) = ( 0.0000000 0.2450980 0.0000000), wk = 0.0024450 k( 27) = ( 0.0000000 0.2549020 0.0000000), wk = 0.0024450 k( 28) = ( 0.0000000 0.2647059 0.0000000), wk = 0.0024450 k( 29) = ( 0.0000000 0.2745098 -0.0000000), wk = 0.0024450 k( 30) = ( 0.0000000 0.2843137 0.0000000), wk = 0.0024450 k( 31) = ( 0.0000000 0.2941177 0.0000000), wk = 0.0024450 k( 32) = ( 0.0000000 0.3039216 0.0000000), wk = 0.0024450 k( 33) = ( 0.0000000 0.3137255 -0.0000000), wk = 0.0024450 k( 34) = ( 0.0000000 0.3235294 0.0000000), wk = 0.0024450 k( 35) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0024450 k( 36) = ( 0.0000000 0.3431373 0.0000000), wk = 0.0024450 k( 37) = ( 0.0000000 0.3529412 -0.0000000), wk = 0.0024450 k( 38) = ( 0.0000000 0.3627451 0.0000000), wk = 0.0024450 k( 39) = ( 0.0000000 0.3725490 -0.0000000), wk = 0.0024450 k( 40) = ( 0.0000000 0.3823529 0.0000000), wk = 0.0024450 k( 41) = ( 0.0000000 0.3921569 -0.0000000), wk = 0.0024450 k( 42) = ( 0.0000000 0.4019608 0.0000000), wk = 0.0024450 k( 43) = ( 0.0000000 0.4117647 -0.0000000), wk = 0.0024450 k( 44) = ( 0.0000000 0.4215686 0.0000000), wk = 0.0024450 k( 45) = ( 0.0000000 0.4313726 -0.0000000), wk = 0.0024450 k( 46) = ( 0.0000000 0.4411765 0.0000000), wk = 0.0024450 k( 47) = ( 0.0000000 0.4509804 -0.0000000), wk = 0.0024450 k( 48) = ( 0.0000000 0.4607843 0.0000000), wk = 0.0024450 k( 49) = ( 0.0000000 0.4705882 -0.0000000), wk = 0.0024450 k( 50) = ( 0.0000000 0.4803922 0.0000000), wk = 0.0024450 k( 51) = ( 0.0000000 0.4901961 0.0000000), wk = 0.0024450 k( 52) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0024450 k( 53) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0024450 k( 54) = ( 0.0098039 0.5000000 0.0000000), wk = 0.0024450 k( 55) = ( 0.0196078 0.5000000 0.0000000), wk = 0.0024450 k( 56) = ( 0.0294118 0.5000000 -0.0000000), wk = 0.0024450 k( 57) = ( 0.0392157 0.5000000 0.0000000), wk = 0.0024450 k( 58) = ( 0.0490196 0.5000000 0.0000000), wk = 0.0024450 k( 59) = ( 0.0588235 0.5000000 0.0000000), wk = 0.0024450 k( 60) = ( 0.0686275 0.5000000 -0.0000000), wk = 0.0024450 k( 61) = ( 0.0784314 0.5000000 -0.0000000), wk = 0.0024450 k( 62) = ( 0.0882353 0.5000000 -0.0000000), wk = 0.0024450 k( 63) = ( 0.0980392 0.5000000 0.0000000), wk = 0.0024450 k( 64) = ( 0.1078431 0.5000000 -0.0000000), wk = 0.0024450 k( 65) = ( 0.1176471 0.5000000 -0.0000000), wk = 0.0024450 k( 66) = ( 0.1274510 0.5000000 -0.0000000), wk = 0.0024450 k( 67) = ( 0.1372549 0.5000000 -0.0000000), wk = 0.0024450 k( 68) = ( 0.1470588 0.5000000 -0.0000000), wk = 0.0024450 k( 69) = ( 0.1568627 0.5000000 0.0000000), wk = 0.0024450 k( 70) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0024450 k( 71) = ( 0.1764706 0.5000000 0.0000000), wk = 0.0024450 k( 72) = ( 0.1862745 0.5000000 0.0000000), wk = 0.0024450 k( 73) = ( 0.1960784 0.5000000 0.0000000), wk = 0.0024450 k( 74) = ( 0.2058823 0.5000000 0.0000000), wk = 0.0024450 k( 75) = ( 0.2156863 0.5000000 0.0000000), wk = 0.0024450 k( 76) = ( 0.2254902 0.5000000 0.0000000), wk = 0.0024450 k( 77) = ( 0.2352941 0.5000000 0.0000000), wk = 0.0024450 k( 78) = ( 0.2450980 0.5000000 0.0000000), wk = 0.0024450 k( 79) = ( 0.2549020 0.5000000 0.0000000), wk = 0.0024450 k( 80) = ( 0.2647059 0.5000000 0.0000000), wk = 0.0024450 k( 81) = ( 0.2745098 0.5000000 0.0000000), wk = 0.0024450 k( 82) = ( 0.2843137 0.5000000 -0.0000000), wk = 0.0024450 k( 83) = ( 0.2941177 0.5000000 -0.0000000), wk = 0.0024450 k( 84) = ( 0.3039216 0.5000000 -0.0000000), wk = 0.0024450 k( 85) = ( 0.3137255 0.5000000 -0.0000000), wk = 0.0024450 k( 86) = ( 0.3235294 0.5000000 0.0000000), wk = 0.0024450 k( 87) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0024450 k( 88) = ( 0.3431373 0.5000000 0.0000000), wk = 0.0024450 k( 89) = ( 0.3529412 0.5000000 -0.0000000), wk = 0.0024450 k( 90) = ( 0.3627451 0.5000000 -0.0000000), wk = 0.0024450 k( 91) = ( 0.3725490 0.5000000 -0.0000000), wk = 0.0024450 k( 92) = ( 0.3823529 0.5000000 -0.0000000), wk = 0.0024450 k( 93) = ( 0.3921569 0.5000000 -0.0000000), wk = 0.0024450 k( 94) = ( 0.4019608 0.5000000 0.0000000), wk = 0.0024450 k( 95) = ( 0.4117647 0.5000000 0.0000000), wk = 0.0024450 k( 96) = ( 0.4215686 0.5000000 -0.0000000), wk = 0.0024450 k( 97) = ( 0.4313726 0.5000000 -0.0000000), wk = 0.0024450 k( 98) = ( 0.4411765 0.5000000 -0.0000000), wk = 0.0024450 k( 99) = ( 0.4509804 0.5000000 -0.0000000), wk = 0.0024450 k( 100) = ( 0.4607843 0.5000000 0.0000000), wk = 0.0024450 k( 101) = ( 0.4705882 0.5000000 0.0000000), wk = 0.0024450 k( 102) = ( 0.4803922 0.5000000 -0.0000000), wk = 0.0024450 k( 103) = ( 0.4901961 0.5000000 0.0000000), wk = 0.0024450 k( 104) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0024450 k( 105) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0024450 k( 106) = ( 0.4929577 0.4929577 0.0000000), wk = 0.0024450 k( 107) = ( 0.4859155 0.4859155 -0.0000000), wk = 0.0024450 k( 108) = ( 0.4788732 0.4788732 -0.0000000), wk = 0.0024450 k( 109) = ( 0.4718310 0.4718310 -0.0000000), wk = 0.0024450 k( 110) = ( 0.4647887 0.4647887 -0.0000000), wk = 0.0024450 k( 111) = ( 0.4577465 0.4577465 0.0000000), wk = 0.0024450 k( 112) = ( 0.4507042 0.4507042 0.0000000), wk = 0.0024450 k( 113) = ( 0.4436620 0.4436620 -0.0000000), wk = 0.0024450 k( 114) = ( 0.4366197 0.4366197 -0.0000000), wk = 0.0024450 k( 115) = ( 0.4295775 0.4295775 -0.0000000), wk = 0.0024450 k( 116) = ( 0.4225352 0.4225352 -0.0000000), wk = 0.0024450 k( 117) = ( 0.4154930 0.4154930 0.0000000), wk = 0.0024450 k( 118) = ( 0.4084507 0.4084507 0.0000000), wk = 0.0024450 k( 119) = ( 0.4014085 0.4014085 -0.0000000), wk = 0.0024450 k( 120) = ( 0.3943662 0.3943662 -0.0000000), wk = 0.0024450 k( 121) = ( 0.3873239 0.3873239 -0.0000000), wk = 0.0024450 k( 122) = ( 0.3802817 0.3802817 -0.0000000), wk = 0.0024450 k( 123) = ( 0.3732394 0.3732394 0.0000000), wk = 0.0024450 k( 124) = ( 0.3661972 0.3661972 0.0000000), wk = 0.0024450 k( 125) = ( 0.3591549 0.3591549 0.0000000), wk = 0.0024450 k( 126) = ( 0.3521127 0.3521127 -0.0000000), wk = 0.0024450 k( 127) = ( 0.3450704 0.3450704 -0.0000000), wk = 0.0024450 k( 128) = ( 0.3380282 0.3380282 -0.0000000), wk = 0.0024450 k( 129) = ( 0.3309859 0.3309859 0.0000000), wk = 0.0024450 k( 130) = ( 0.3239437 0.3239437 0.0000000), wk = 0.0024450 k( 131) = ( 0.3169014 0.3169014 -0.0000000), wk = 0.0024450 k( 132) = ( 0.3098592 0.3098592 0.0000000), wk = 0.0024450 k( 133) = ( 0.3028169 0.3028169 -0.0000000), wk = 0.0024450 k( 134) = ( 0.2957746 0.2957746 -0.0000000), wk = 0.0024450 k( 135) = ( 0.2887324 0.2887324 -0.0000000), wk = 0.0024450 k( 136) = ( 0.2816901 0.2816901 0.0000000), wk = 0.0024450 k( 137) = ( 0.2746479 0.2746479 0.0000000), wk = 0.0024450 k( 138) = ( 0.2676056 0.2676056 0.0000000), wk = 0.0024450 k( 139) = ( 0.2605634 0.2605634 0.0000000), wk = 0.0024450 k( 140) = ( 0.2535211 0.2535211 -0.0000000), wk = 0.0024450 k( 141) = ( 0.2464789 0.2464789 0.0000000), wk = 0.0024450 k( 142) = ( 0.2394366 0.2394366 -0.0000000), wk = 0.0024450 k( 143) = ( 0.2323944 0.2323944 0.0000000), wk = 0.0024450 k( 144) = ( 0.2253521 0.2253521 0.0000000), wk = 0.0024450 k( 145) = ( 0.2183099 0.2183099 -0.0000000), wk = 0.0024450 k( 146) = ( 0.2112676 0.2112676 0.0000000), wk = 0.0024450 k( 147) = ( 0.2042253 0.2042253 0.0000000), wk = 0.0024450 k( 148) = ( 0.1971831 0.1971831 -0.0000000), wk = 0.0024450 k( 149) = ( 0.1901409 0.1901409 0.0000000), wk = 0.0024450 k( 150) = ( 0.1830986 0.1830986 0.0000000), wk = 0.0024450 k( 151) = ( 0.1760563 0.1760563 -0.0000000), wk = 0.0024450 k( 152) = ( 0.1690141 0.1690141 -0.0000000), wk = 0.0024450 k( 153) = ( 0.1619718 0.1619718 0.0000000), wk = 0.0024450 k( 154) = ( 0.1549296 0.1549296 -0.0000000), wk = 0.0024450 k( 155) = ( 0.1478873 0.1478873 -0.0000000), wk = 0.0024450 k( 156) = ( 0.1408451 0.1408451 0.0000000), wk = 0.0024450 k( 157) = ( 0.1338028 0.1338028 0.0000000), wk = 0.0024450 k( 158) = ( 0.1267606 0.1267606 0.0000000), wk = 0.0024450 k( 159) = ( 0.1197183 0.1197183 -0.0000000), wk = 0.0024450 k( 160) = ( 0.1126761 0.1126761 0.0000000), wk = 0.0024450 k( 161) = ( 0.1056338 0.1056338 -0.0000000), wk = 0.0024450 k( 162) = ( 0.0985916 0.0985916 -0.0000000), wk = 0.0024450 k( 163) = ( 0.0915493 0.0915493 -0.0000000), wk = 0.0024450 k( 164) = ( 0.0845070 0.0845070 -0.0000000), wk = 0.0024450 k( 165) = ( 0.0774648 0.0774648 -0.0000000), wk = 0.0024450 k( 166) = ( 0.0704225 0.0704225 -0.0000000), wk = 0.0024450 k( 167) = ( 0.0633803 0.0633803 0.0000000), wk = 0.0024450 k( 168) = ( 0.0563380 0.0563380 0.0000000), wk = 0.0024450 k( 169) = ( 0.0492958 0.0492958 -0.0000000), wk = 0.0024450 k( 170) = ( 0.0422535 0.0422535 -0.0000000), wk = 0.0024450 k( 171) = ( 0.0352113 0.0352113 -0.0000000), wk = 0.0024450 k( 172) = ( 0.0281690 0.0281690 0.0000000), wk = 0.0024450 k( 173) = ( 0.0211268 0.0211268 -0.0000000), wk = 0.0024450 k( 174) = ( 0.0140845 0.0140845 -0.0000000), wk = 0.0024450 k( 175) = ( 0.0070422 0.0070422 0.0000000), wk = 0.0024450 k( 176) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024450 k( 177) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024450 k( 178) = ( 0.0000000 0.0000000 0.0277778), wk = 0.0024450 k( 179) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0024450 k( 180) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0024450 k( 181) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0024450 k( 182) = ( 0.0000000 0.0000000 0.1388889), wk = 0.0024450 k( 183) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0024450 k( 184) = ( 0.0000000 0.0000000 0.1944444), wk = 0.0024450 k( 185) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0024450 k( 186) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0024450 k( 187) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0024450 k( 188) = ( 0.0000000 0.0000000 0.3055556), wk = 0.0024450 k( 189) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0024450 k( 190) = ( 0.0000000 0.0000000 0.3611111), wk = 0.0024450 k( 191) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0024450 k( 192) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0024450 k( 193) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0024450 k( 194) = ( 0.0000000 0.0000000 0.4722222), wk = 0.0024450 k( 195) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024450 k( 196) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024450 k( 197) = ( 0.0000000 0.0098039 0.5000000), wk = 0.0024450 k( 198) = ( 0.0000000 0.0196078 0.5000000), wk = 0.0024450 k( 199) = ( 0.0000000 0.0294118 0.5000000), wk = 0.0024450 k( 200) = ( 0.0000000 0.0392157 0.5000000), wk = 0.0024450 k( 201) = ( 0.0000000 0.0490196 0.5000000), wk = 0.0024450 k( 202) = ( 0.0000000 0.0588235 0.5000000), wk = 0.0024450 k( 203) = ( 0.0000000 0.0686275 0.5000000), wk = 0.0024450 k( 204) = ( 0.0000000 0.0784314 0.5000000), wk = 0.0024450 k( 205) = ( 0.0000000 0.0882353 0.5000000), wk = 0.0024450 k( 206) = ( 0.0000000 0.0980392 0.5000000), wk = 0.0024450 k( 207) = ( 0.0000000 0.1078431 0.5000000), wk = 0.0024450 k( 208) = ( 0.0000000 0.1176471 0.5000000), wk = 0.0024450 k( 209) = ( 0.0000000 0.1274510 0.5000000), wk = 0.0024450 k( 210) = ( 0.0000000 0.1372549 0.5000000), wk = 0.0024450 k( 211) = ( 0.0000000 0.1470588 0.5000000), wk = 0.0024450 k( 212) = ( 0.0000000 0.1568627 0.5000000), wk = 0.0024450 k( 213) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0024450 k( 214) = ( 0.0000000 0.1764706 0.5000000), wk = 0.0024450 k( 215) = ( 0.0000000 0.1862745 0.5000000), wk = 0.0024450 k( 216) = ( 0.0000000 0.1960784 0.5000000), wk = 0.0024450 k( 217) = ( 0.0000000 0.2058823 0.5000000), wk = 0.0024450 k( 218) = ( 0.0000000 0.2156863 0.5000000), wk = 0.0024450 k( 219) = ( 0.0000000 0.2254902 0.5000000), wk = 0.0024450 k( 220) = ( 0.0000000 0.2352941 0.5000000), wk = 0.0024450 k( 221) = ( 0.0000000 0.2450980 0.5000000), wk = 0.0024450 k( 222) = ( 0.0000000 0.2549020 0.5000000), wk = 0.0024450 k( 223) = ( 0.0000000 0.2647059 0.5000000), wk = 0.0024450 k( 224) = ( 0.0000000 0.2745098 0.5000000), wk = 0.0024450 k( 225) = ( 0.0000000 0.2843137 0.5000000), wk = 0.0024450 k( 226) = ( 0.0000000 0.2941177 0.5000000), wk = 0.0024450 k( 227) = ( 0.0000000 0.3039216 0.5000000), wk = 0.0024450 k( 228) = ( 0.0000000 0.3137255 0.5000000), wk = 0.0024450 k( 229) = ( 0.0000000 0.3235294 0.5000000), wk = 0.0024450 k( 230) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0024450 k( 231) = ( 0.0000000 0.3431373 0.5000000), wk = 0.0024450 k( 232) = ( 0.0000000 0.3529412 0.5000000), wk = 0.0024450 k( 233) = ( 0.0000000 0.3627451 0.5000000), wk = 0.0024450 k( 234) = ( 0.0000000 0.3725490 0.5000000), wk = 0.0024450 k( 235) = ( 0.0000000 0.3823529 0.5000000), wk = 0.0024450 k( 236) = ( 0.0000000 0.3921569 0.5000000), wk = 0.0024450 k( 237) = ( 0.0000000 0.4019608 0.5000000), wk = 0.0024450 k( 238) = ( 0.0000000 0.4117647 0.5000000), wk = 0.0024450 k( 239) = ( 0.0000000 0.4215686 0.5000000), wk = 0.0024450 k( 240) = ( 0.0000000 0.4313726 0.5000000), wk = 0.0024450 k( 241) = ( 0.0000000 0.4411765 0.5000000), wk = 0.0024450 k( 242) = ( 0.0000000 0.4509804 0.5000000), wk = 0.0024450 k( 243) = ( 0.0000000 0.4607843 0.5000000), wk = 0.0024450 k( 244) = ( 0.0000000 0.4705882 0.5000000), wk = 0.0024450 k( 245) = ( 0.0000000 0.4803922 0.5000000), wk = 0.0024450 k( 246) = ( 0.0000000 0.4901961 0.5000000), wk = 0.0024450 k( 247) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0024450 k( 248) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0024450 k( 249) = ( 0.0098039 0.5000000 0.5000000), wk = 0.0024450 k( 250) = ( 0.0196078 0.5000000 0.5000000), wk = 0.0024450 k( 251) = ( 0.0294118 0.5000000 0.5000000), wk = 0.0024450 k( 252) = ( 0.0392157 0.5000000 0.5000000), wk = 0.0024450 k( 253) = ( 0.0490196 0.5000000 0.5000000), wk = 0.0024450 k( 254) = ( 0.0588235 0.5000000 0.5000000), wk = 0.0024450 k( 255) = ( 0.0686275 0.5000000 0.5000000), wk = 0.0024450 k( 256) = ( 0.0784314 0.5000000 0.5000000), wk = 0.0024450 k( 257) = ( 0.0882353 0.5000000 0.5000000), wk = 0.0024450 k( 258) = ( 0.0980392 0.5000000 0.5000000), wk = 0.0024450 k( 259) = ( 0.1078431 0.5000000 0.5000000), wk = 0.0024450 k( 260) = ( 0.1176471 0.5000000 0.5000000), wk = 0.0024450 k( 261) = ( 0.1274510 0.5000000 0.5000000), wk = 0.0024450 k( 262) = ( 0.1372549 0.5000000 0.5000000), wk = 0.0024450 k( 263) = ( 0.1470588 0.5000000 0.5000000), wk = 0.0024450 k( 264) = ( 0.1568627 0.5000000 0.5000000), wk = 0.0024450 k( 265) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0024450 k( 266) = ( 0.1764706 0.5000000 0.5000000), wk = 0.0024450 k( 267) = ( 0.1862745 0.5000000 0.5000000), wk = 0.0024450 k( 268) = ( 0.1960784 0.5000000 0.5000000), wk = 0.0024450 k( 269) = ( 0.2058823 0.5000000 0.5000000), wk = 0.0024450 k( 270) = ( 0.2156863 0.5000000 0.5000000), wk = 0.0024450 k( 271) = ( 0.2254902 0.5000000 0.5000000), wk = 0.0024450 k( 272) = ( 0.2352941 0.5000000 0.5000000), wk = 0.0024450 k( 273) = ( 0.2450980 0.5000000 0.5000000), wk = 0.0024450 k( 274) = ( 0.2549020 0.5000000 0.5000000), wk = 0.0024450 k( 275) = ( 0.2647059 0.5000000 0.5000000), wk = 0.0024450 k( 276) = ( 0.2745098 0.5000000 0.5000000), wk = 0.0024450 k( 277) = ( 0.2843137 0.5000000 0.5000000), wk = 0.0024450 k( 278) = ( 0.2941177 0.5000000 0.5000000), wk = 0.0024450 k( 279) = ( 0.3039216 0.5000000 0.5000000), wk = 0.0024450 k( 280) = ( 0.3137255 0.5000000 0.5000000), wk = 0.0024450 k( 281) = ( 0.3235294 0.5000000 0.5000000), wk = 0.0024450 k( 282) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0024450 k( 283) = ( 0.3431373 0.5000000 0.5000000), wk = 0.0024450 k( 284) = ( 0.3529412 0.5000000 0.5000000), wk = 0.0024450 k( 285) = ( 0.3627451 0.5000000 0.5000000), wk = 0.0024450 k( 286) = ( 0.3725490 0.5000000 0.5000000), wk = 0.0024450 k( 287) = ( 0.3823529 0.5000000 0.5000000), wk = 0.0024450 k( 288) = ( 0.3921569 0.5000000 0.5000000), wk = 0.0024450 k( 289) = ( 0.4019608 0.5000000 0.5000000), wk = 0.0024450 k( 290) = ( 0.4117647 0.5000000 0.5000000), wk = 0.0024450 k( 291) = ( 0.4215686 0.5000000 0.5000000), wk = 0.0024450 k( 292) = ( 0.4313726 0.5000000 0.5000000), wk = 0.0024450 k( 293) = ( 0.4411765 0.5000000 0.5000000), wk = 0.0024450 k( 294) = ( 0.4509804 0.5000000 0.5000000), wk = 0.0024450 k( 295) = ( 0.4607843 0.5000000 0.5000000), wk = 0.0024450 k( 296) = ( 0.4705882 0.5000000 0.5000000), wk = 0.0024450 k( 297) = ( 0.4803922 0.5000000 0.5000000), wk = 0.0024450 k( 298) = ( 0.4901961 0.5000000 0.5000000), wk = 0.0024450 k( 299) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024450 k( 300) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024450 k( 301) = ( 0.4929577 0.4929577 0.5000000), wk = 0.0024450 k( 302) = ( 0.4859155 0.4859155 0.5000000), wk = 0.0024450 k( 303) = ( 0.4788732 0.4788732 0.5000000), wk = 0.0024450 k( 304) = ( 0.4718310 0.4718310 0.5000000), wk = 0.0024450 k( 305) = ( 0.4647887 0.4647887 0.5000000), wk = 0.0024450 k( 306) = ( 0.4577465 0.4577465 0.5000000), wk = 0.0024450 k( 307) = ( 0.4507042 0.4507042 0.5000000), wk = 0.0024450 k( 308) = ( 0.4436620 0.4436620 0.5000000), wk = 0.0024450 k( 309) = ( 0.4366197 0.4366197 0.5000000), wk = 0.0024450 k( 310) = ( 0.4295775 0.4295775 0.5000000), wk = 0.0024450 k( 311) = ( 0.4225352 0.4225352 0.5000000), wk = 0.0024450 k( 312) = ( 0.4154930 0.4154930 0.5000000), wk = 0.0024450 k( 313) = ( 0.4084507 0.4084507 0.5000000), wk = 0.0024450 k( 314) = ( 0.4014085 0.4014085 0.5000000), wk = 0.0024450 k( 315) = ( 0.3943662 0.3943662 0.5000000), wk = 0.0024450 k( 316) = ( 0.3873239 0.3873239 0.5000000), wk = 0.0024450 k( 317) = ( 0.3802817 0.3802817 0.5000000), wk = 0.0024450 k( 318) = ( 0.3732394 0.3732394 0.5000000), wk = 0.0024450 k( 319) = ( 0.3661972 0.3661972 0.5000000), wk = 0.0024450 k( 320) = ( 0.3591549 0.3591549 0.5000000), wk = 0.0024450 k( 321) = ( 0.3521127 0.3521127 0.5000000), wk = 0.0024450 k( 322) = ( 0.3450704 0.3450704 0.5000000), wk = 0.0024450 k( 323) = ( 0.3380282 0.3380282 0.5000000), wk = 0.0024450 k( 324) = ( 0.3309859 0.3309859 0.5000000), wk = 0.0024450 k( 325) = ( 0.3239437 0.3239437 0.5000000), wk = 0.0024450 k( 326) = ( 0.3169014 0.3169014 0.5000000), wk = 0.0024450 k( 327) = ( 0.3098592 0.3098592 0.5000000), wk = 0.0024450 k( 328) = ( 0.3028169 0.3028169 0.5000000), wk = 0.0024450 k( 329) = ( 0.2957746 0.2957746 0.5000000), wk = 0.0024450 k( 330) = ( 0.2887324 0.2887324 0.5000000), wk = 0.0024450 k( 331) = ( 0.2816901 0.2816901 0.5000000), wk = 0.0024450 k( 332) = ( 0.2746479 0.2746479 0.5000000), wk = 0.0024450 k( 333) = ( 0.2676056 0.2676056 0.5000000), wk = 0.0024450 k( 334) = ( 0.2605634 0.2605634 0.5000000), wk = 0.0024450 k( 335) = ( 0.2535211 0.2535211 0.5000000), wk = 0.0024450 k( 336) = ( 0.2464789 0.2464789 0.5000000), wk = 0.0024450 k( 337) = ( 0.2394366 0.2394366 0.5000000), wk = 0.0024450 k( 338) = ( 0.2323944 0.2323944 0.5000000), wk = 0.0024450 k( 339) = ( 0.2253521 0.2253521 0.5000000), wk = 0.0024450 k( 340) = ( 0.2183099 0.2183099 0.5000000), wk = 0.0024450 k( 341) = ( 0.2112676 0.2112676 0.5000000), wk = 0.0024450 k( 342) = ( 0.2042253 0.2042253 0.5000000), wk = 0.0024450 k( 343) = ( 0.1971831 0.1971831 0.5000000), wk = 0.0024450 k( 344) = ( 0.1901409 0.1901409 0.5000000), wk = 0.0024450 k( 345) = ( 0.1830986 0.1830986 0.5000000), wk = 0.0024450 k( 346) = ( 0.1760563 0.1760563 0.5000000), wk = 0.0024450 k( 347) = ( 0.1690141 0.1690141 0.5000000), wk = 0.0024450 k( 348) = ( 0.1619718 0.1619718 0.5000000), wk = 0.0024450 k( 349) = ( 0.1549296 0.1549296 0.5000000), wk = 0.0024450 k( 350) = ( 0.1478873 0.1478873 0.5000000), wk = 0.0024450 k( 351) = ( 0.1408451 0.1408451 0.5000000), wk = 0.0024450 k( 352) = ( 0.1338028 0.1338028 0.5000000), wk = 0.0024450 k( 353) = ( 0.1267606 0.1267606 0.5000000), wk = 0.0024450 k( 354) = ( 0.1197183 0.1197183 0.5000000), wk = 0.0024450 k( 355) = ( 0.1126761 0.1126761 0.5000000), wk = 0.0024450 k( 356) = ( 0.1056338 0.1056338 0.5000000), wk = 0.0024450 k( 357) = ( 0.0985916 0.0985916 0.5000000), wk = 0.0024450 k( 358) = ( 0.0915493 0.0915493 0.5000000), wk = 0.0024450 k( 359) = ( 0.0845070 0.0845070 0.5000000), wk = 0.0024450 k( 360) = ( 0.0774648 0.0774648 0.5000000), wk = 0.0024450 k( 361) = ( 0.0704225 0.0704225 0.5000000), wk = 0.0024450 k( 362) = ( 0.0633803 0.0633803 0.5000000), wk = 0.0024450 k( 363) = ( 0.0563380 0.0563380 0.5000000), wk = 0.0024450 k( 364) = ( 0.0492958 0.0492958 0.5000000), wk = 0.0024450 k( 365) = ( 0.0422535 0.0422535 0.5000000), wk = 0.0024450 k( 366) = ( 0.0352113 0.0352113 0.5000000), wk = 0.0024450 k( 367) = ( 0.0281690 0.0281690 0.5000000), wk = 0.0024450 k( 368) = ( 0.0211268 0.0211268 0.5000000), wk = 0.0024450 k( 369) = ( 0.0140845 0.0140845 0.5000000), wk = 0.0024450 k( 370) = ( 0.0070422 0.0070422 0.5000000), wk = 0.0024450 k( 371) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024450 k( 372) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0024450 k( 373) = ( 0.0000000 0.5000000 0.0277778), wk = 0.0024450 k( 374) = ( 0.0000000 0.5000000 0.0555556), wk = 0.0024450 k( 375) = ( 0.0000000 0.5000000 0.0833333), wk = 0.0024450 k( 376) = ( 0.0000000 0.5000000 0.1111111), wk = 0.0024450 k( 377) = ( 0.0000000 0.5000000 0.1388889), wk = 0.0024450 k( 378) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0024450 k( 379) = ( 0.0000000 0.5000000 0.1944444), wk = 0.0024450 k( 380) = ( 0.0000000 0.5000000 0.2222222), wk = 0.0024450 k( 381) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0024450 k( 382) = ( 0.0000000 0.5000000 0.2777778), wk = 0.0024450 k( 383) = ( 0.0000000 0.5000000 0.3055556), wk = 0.0024450 k( 384) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0024450 k( 385) = ( 0.0000000 0.5000000 0.3611111), wk = 0.0024450 k( 386) = ( 0.0000000 0.5000000 0.3888889), wk = 0.0024450 k( 387) = ( 0.0000000 0.5000000 0.4166667), wk = 0.0024450 k( 388) = ( 0.0000000 0.5000000 0.4444444), wk = 0.0024450 k( 389) = ( 0.0000000 0.5000000 0.4722222), wk = 0.0024450 k( 390) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0024450 k( 391) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0024450 k( 392) = ( 0.5000000 0.5000000 0.0277778), wk = 0.0024450 k( 393) = ( 0.5000000 0.5000000 0.0555556), wk = 0.0024450 k( 394) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0024450 k( 395) = ( 0.5000000 0.5000000 0.1111111), wk = 0.0024450 k( 396) = ( 0.5000000 0.5000000 0.1388889), wk = 0.0024450 k( 397) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0024450 k( 398) = ( 0.5000000 0.5000000 0.1944444), wk = 0.0024450 k( 399) = ( 0.5000000 0.5000000 0.2222222), wk = 0.0024450 k( 400) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0024450 k( 401) = ( 0.5000000 0.5000000 0.2777778), wk = 0.0024450 k( 402) = ( 0.5000000 0.5000000 0.3055556), wk = 0.0024450 k( 403) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0024450 k( 404) = ( 0.5000000 0.5000000 0.3611111), wk = 0.0024450 k( 405) = ( 0.5000000 0.5000000 0.3888889), wk = 0.0024450 k( 406) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0024450 k( 407) = ( 0.5000000 0.5000000 0.4444444), wk = 0.0024450 k( 408) = ( 0.5000000 0.5000000 0.4722222), wk = 0.0024450 k( 409) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024450 Dense grid: 158897 G-vectors FFT dimensions: ( 48, 48, 135) Smooth grid: 27859 G-vectors FFT dimensions: ( 27, 27, 75) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.12 Mb ( 200, 40) NL pseudopotentials 0.15 Mb ( 100, 100) Each V/rho on FFT grid 0.14 Mb ( 9216) Each G-vector array 0.03 Mb ( 4420) G-vector shells 0.02 Mb ( 2196) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.49 Mb ( 200, 160) Each subspace H/S matrix 0.02 Mb ( 40, 40) Each matrix 0.12 Mb ( 100, 2, 40) The potential is recalculated from file : ./ZrCd.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.6 secs Computing kpt #: 2 total cpu time spent up to now is 2.9 secs Computing kpt #: 3 total cpu time spent up to now is 3.2 secs Computing kpt #: 4 total cpu time spent up to now is 3.6 secs Computing kpt #: 5 total cpu time spent up to now is 3.9 secs Computing kpt #: 6 total cpu time spent up to now is 4.2 secs Computing kpt #: 7 total cpu time spent up to now is 4.5 secs Computing kpt #: 8 total cpu time spent up to now is 4.9 secs Computing kpt #: 9 total cpu time spent up to now is 5.2 secs Computing kpt #: 10 total cpu time spent up to now is 5.6 secs Computing kpt #: 11 total cpu time spent up to now is 5.9 secs Computing kpt #: 12 total cpu time spent up to now is 6.2 secs Computing kpt #: 13 total cpu time spent up to now is 6.6 secs Computing kpt #: 14 total cpu time spent up to now is 6.9 secs Computing kpt #: 15 total cpu time spent up to now is 7.2 secs Computing kpt #: 16 total cpu time spent up to now is 7.5 secs Computing kpt #: 17 total cpu time spent up to now is 7.9 secs Computing kpt #: 18 total cpu time spent up to now is 8.2 secs Computing kpt #: 19 total cpu time spent up to now is 8.6 secs Computing kpt #: 20 total cpu time spent up to now is 8.9 secs Computing kpt #: 21 total cpu time spent up to now is 9.3 secs Computing kpt #: 22 total cpu time spent up to now is 9.6 secs Computing kpt #: 23 total cpu time spent up to now is 10.0 secs Computing kpt #: 24 total cpu time spent up to now is 10.3 secs Computing kpt #: 25 total cpu time spent up to now is 10.7 secs Computing kpt #: 26 total cpu time spent up to now is 11.0 secs Computing kpt #: 27 total cpu time spent up to now is 11.4 secs Computing kpt #: 28 total cpu time spent up to now is 11.8 secs Computing kpt #: 29 total cpu time spent up to now is 12.2 secs Computing kpt #: 30 total cpu time spent up to now is 12.6 secs Computing kpt #: 31 total cpu time spent up to now is 13.0 secs Computing kpt #: 32 total cpu time spent up to now is 13.4 secs Computing kpt #: 33 total cpu time spent up to now is 13.7 secs Computing kpt #: 34 total cpu time spent up to now is 14.1 secs Computing kpt #: 35 total cpu time spent up to now is 14.4 secs Computing kpt #: 36 total cpu time spent up to now is 14.8 secs Computing kpt #: 37 total cpu time spent up to now is 15.1 secs Computing kpt #: 38 total cpu time spent up to now is 15.5 secs Computing kpt #: 39 total cpu time spent up to now is 15.8 secs Computing kpt #: 40 total cpu time spent up to now is 16.2 secs Computing kpt #: 41 total cpu time spent up to now is 16.5 secs Computing kpt #: 42 total cpu time spent up to now is 16.9 secs Computing kpt #: 43 total cpu time spent up to now is 17.2 secs Computing kpt #: 44 total cpu time spent up to now is 17.5 secs Computing kpt #: 45 total cpu time spent up to now is 17.9 secs Computing kpt #: 46 total cpu time spent up to now is 18.2 secs Computing kpt #: 47 total cpu time spent up to now is 18.6 secs Computing kpt #: 48 total cpu time spent up to now is 18.9 secs Computing kpt #: 49 total cpu time spent up to now is 19.2 secs Computing kpt #: 50 total cpu time spent up to now is 19.6 secs Computing kpt #: 51 total cpu time spent up to now is 19.9 secs Computing kpt #: 52 total cpu time spent up to now is 20.3 secs Computing kpt #: 53 total cpu time spent up to now is 20.6 secs Computing kpt #: 54 total cpu time spent up to now is 21.0 secs Computing kpt #: 55 total cpu time spent up to now is 21.3 secs Computing kpt #: 56 total cpu time spent up to now is 21.6 secs Computing kpt #: 57 total cpu time spent up to now is 22.0 secs Computing kpt #: 58 total cpu time spent up to now is 22.3 secs Computing kpt #: 59 total cpu time spent up to now is 22.7 secs Computing kpt #: 60 total cpu time spent up to now is 23.0 secs Computing kpt #: 61 total cpu time spent up to now is 23.4 secs Computing kpt #: 62 total cpu time spent up to now is 23.7 secs Computing kpt #: 63 total cpu time spent up to now is 24.1 secs Computing kpt #: 64 total cpu time spent up to now is 24.4 secs Computing kpt #: 65 total cpu time spent up to now is 24.8 secs Computing kpt #: 66 total cpu time spent up to now is 25.1 secs Computing kpt #: 67 total cpu time spent up to now is 25.4 secs Computing kpt #: 68 total cpu time spent up to now is 25.8 secs Computing kpt #: 69 total cpu time spent up to now is 26.1 secs Computing kpt #: 70 total cpu time spent up to now is 26.5 secs Computing kpt #: 71 total cpu time spent up to now is 26.8 secs Computing kpt #: 72 total cpu time spent up to now is 27.1 secs Computing kpt #: 73 total cpu time spent up to now is 27.5 secs Computing kpt #: 74 total cpu time spent up to now is 27.8 secs Computing kpt #: 75 total cpu time spent up to now is 28.2 secs Computing kpt #: 76 total cpu time spent up to now is 28.5 secs Computing kpt #: 77 total cpu time spent up to now is 28.8 secs Computing kpt #: 78 total cpu time spent up to now is 29.2 secs Computing kpt #: 79 total cpu time spent up to now is 29.5 secs Computing kpt #: 80 total cpu time spent up to now is 29.8 secs Computing kpt #: 81 total cpu time spent up to now is 30.2 secs Computing kpt #: 82 total cpu time spent up to now is 30.5 secs Computing kpt #: 83 total cpu time spent up to now is 30.9 secs Computing kpt #: 84 total cpu time spent up to now is 31.2 secs Computing kpt #: 85 total cpu time spent up to now is 31.6 secs Computing kpt #: 86 total cpu time spent up to now is 32.0 secs Computing kpt #: 87 total cpu time spent up to now is 32.4 secs Computing kpt #: 88 total cpu time spent up to now is 32.8 secs Computing kpt #: 89 total cpu time spent up to now is 33.1 secs Computing kpt #: 90 total cpu time spent up to now is 33.5 secs Computing kpt #: 91 total cpu time spent up to now is 33.9 secs Computing kpt #: 92 total cpu time spent up to now is 34.3 secs Computing kpt #: 93 total cpu time spent up to now is 34.7 secs Computing kpt #: 94 total cpu time spent up to now is 35.1 secs Computing kpt #: 95 total cpu time spent up to now is 35.6 secs Computing kpt #: 96 total cpu time spent up to now is 36.0 secs Computing kpt #: 97 total cpu time spent up to now is 36.4 secs Computing kpt #: 98 total cpu time spent up to now is 36.9 secs Computing kpt #: 99 total cpu time spent up to now is 37.3 secs Computing kpt #: 100 total cpu time spent up to now is 37.7 secs Computing kpt #: 101 total cpu time spent up to now is 38.1 secs Computing kpt #: 102 total cpu time spent up to now is 38.6 secs Computing kpt #: 103 total cpu time spent up to now is 39.0 secs Computing kpt #: 104 total cpu time spent up to now is 39.5 secs Computing kpt #: 105 total cpu time spent up to now is 39.9 secs Computing kpt #: 106 total cpu time spent up to now is 40.4 secs Computing kpt #: 107 total cpu time spent up to now is 40.8 secs Computing kpt #: 108 total cpu time spent up to now is 41.3 secs Computing kpt #: 109 total cpu time spent up to now is 41.7 secs Computing kpt #: 110 total cpu time spent up to now is 42.1 secs Computing kpt #: 111 total cpu time spent up to now is 42.5 secs Computing kpt #: 112 total cpu time spent up to now is 42.9 secs Computing kpt #: 113 total cpu time spent up to now is 43.3 secs Computing kpt #: 114 total cpu time spent up to now is 43.7 secs Computing kpt #: 115 total cpu time spent up to now is 44.1 secs Computing kpt #: 116 total cpu time spent up to now is 44.5 secs Computing kpt #: 117 total cpu time spent up to now is 44.9 secs Computing kpt #: 118 total cpu time spent up to now is 45.3 secs Computing kpt #: 119 total cpu time spent up to now is 45.7 secs Computing kpt #: 120 total cpu time spent up to now is 46.1 secs Computing kpt #: 121 total cpu time spent up to now is 46.5 secs Computing kpt #: 122 total cpu time spent up to now is 46.9 secs Computing kpt #: 123 total cpu time spent up to now is 47.4 secs Computing kpt #: 124 total cpu time spent up to now is 47.8 secs Computing kpt #: 125 total cpu time spent up to now is 48.1 secs Computing kpt #: 126 total cpu time spent up to now is 48.5 secs Computing kpt #: 127 total cpu time spent up to now is 48.9 secs Computing kpt #: 128 total cpu time spent up to now is 49.3 secs Computing kpt #: 129 total cpu time spent up to now is 49.7 secs Computing kpt #: 130 total cpu time spent up to now is 50.0 secs Computing kpt #: 131 total cpu time spent up to now is 50.4 secs Computing kpt #: 132 total cpu time spent up to now is 50.8 secs Computing kpt #: 133 total cpu time spent up to now is 51.1 secs Computing kpt #: 134 total cpu time spent up to now is 51.5 secs Computing kpt #: 135 total cpu time spent up to now is 51.8 secs Computing kpt #: 136 total cpu time spent up to now is 52.2 secs Computing kpt #: 137 total cpu time spent up to now is 52.6 secs Computing kpt #: 138 total cpu time spent up to now is 53.0 secs Computing kpt #: 139 total cpu time spent up to now is 53.3 secs Computing kpt #: 140 total cpu time spent up to now is 53.7 secs Computing kpt #: 141 total cpu time spent up to now is 54.0 secs Computing kpt #: 142 total cpu time spent up to now is 54.4 secs Computing kpt #: 143 total cpu time spent up to now is 54.7 secs Computing kpt #: 144 total cpu time spent up to now is 55.2 secs Computing kpt #: 145 total cpu time spent up to now is 55.5 secs Computing kpt #: 146 total cpu time spent up to now is 55.9 secs Computing kpt #: 147 total cpu time spent up to now is 56.3 secs Computing kpt #: 148 total cpu time spent up to now is 56.7 secs Computing kpt #: 149 total cpu time spent up to now is 57.1 secs Computing kpt #: 150 total cpu time spent up to now is 57.4 secs Computing kpt #: 151 total cpu time spent up to now is 57.8 secs Computing kpt #: 152 total cpu time spent up to now is 58.2 secs Computing kpt #: 153 total cpu time spent up to now is 58.5 secs Computing kpt #: 154 total cpu time spent up to now is 58.9 secs Computing kpt #: 155 total cpu time spent up to now is 59.2 secs Computing kpt #: 156 total cpu time spent up to now is 59.6 secs Computing kpt #: 157 total cpu time spent up to now is 59.9 secs Computing kpt #: 158 total cpu time spent up to now is 60.3 secs Computing kpt #: 159 total cpu time spent up to now is 60.6 secs Computing kpt #: 160 total cpu time spent up to now is 61.0 secs Computing kpt #: 161 total cpu time spent up to now is 61.3 secs Computing kpt #: 162 total cpu time spent up to now is 61.6 secs Computing kpt #: 163 total cpu time spent up to now is 62.0 secs Computing kpt #: 164 total cpu time spent up to now is 62.3 secs Computing kpt #: 165 total cpu time spent up to now is 62.6 secs Computing kpt #: 166 total cpu time spent up to now is 63.0 secs Computing kpt #: 167 total cpu time spent up to now is 63.3 secs Computing kpt #: 168 total cpu time spent up to now is 63.6 secs Computing kpt #: 169 total cpu time spent up to now is 63.9 secs Computing kpt #: 170 total cpu time spent up to now is 64.3 secs Computing kpt #: 171 total cpu time spent up to now is 64.6 secs Computing kpt #: 172 total cpu time spent up to now is 64.9 secs Computing kpt #: 173 total cpu time spent up to now is 65.2 secs Computing kpt #: 174 total cpu time spent up to now is 65.6 secs Computing kpt #: 175 total cpu time spent up to now is 65.9 secs Computing kpt #: 176 total cpu time spent up to now is 66.2 secs Computing kpt #: 177 total cpu time spent up to now is 66.5 secs Computing kpt #: 178 total cpu time spent up to now is 66.8 secs Computing kpt #: 179 total cpu time spent up to now is 67.2 secs Computing kpt #: 180 total cpu time spent up to now is 67.5 secs Computing kpt #: 181 total cpu time spent up to now is 67.8 secs Computing kpt #: 182 total cpu time spent up to now is 68.1 secs Computing kpt #: 183 total cpu time spent up to now is 68.5 secs Computing kpt #: 184 total cpu time spent up to now is 68.8 secs Computing kpt #: 185 total cpu time spent up to now is 69.1 secs Computing kpt #: 186 total cpu time spent up to now is 69.5 secs Computing kpt #: 187 total cpu time spent up to now is 69.8 secs Computing kpt #: 188 total cpu time spent up to now is 70.1 secs Computing kpt #: 189 total cpu time spent up to now is 70.5 secs Computing kpt #: 190 total cpu time spent up to now is 70.8 secs Computing kpt #: 191 total cpu time spent up to now is 71.1 secs Computing kpt #: 192 total cpu time spent up to now is 71.5 secs Computing kpt #: 193 total cpu time spent up to now is 71.8 secs Computing kpt #: 194 total cpu time spent up to now is 72.1 secs Computing kpt #: 195 total cpu time spent up to now is 72.4 secs Computing kpt #: 196 total cpu time spent up to now is 72.7 secs Computing kpt #: 197 total cpu time spent up to now is 73.1 secs Computing kpt #: 198 total cpu time spent up to now is 73.4 secs Computing kpt #: 199 total cpu time spent up to now is 73.7 secs Computing kpt #: 200 total cpu time spent up to now is 74.0 secs Computing kpt #: 201 total cpu time spent up to now is 74.3 secs Computing kpt #: 202 total cpu time spent up to now is 74.7 secs Computing kpt #: 203 total cpu time spent up to now is 75.0 secs Computing kpt #: 204 total cpu time spent up to now is 75.3 secs Computing kpt #: 205 total cpu time spent up to now is 75.7 secs Computing kpt #: 206 total cpu time spent up to now is 76.1 secs Computing kpt #: 207 total cpu time spent up to now is 76.5 secs Computing kpt #: 208 total cpu time spent up to now is 77.0 secs Computing kpt #: 209 total cpu time spent up to now is 77.4 secs Computing kpt #: 210 total cpu time spent up to now is 77.8 secs Computing kpt #: 211 total cpu time spent up to now is 78.2 secs Computing kpt #: 212 total cpu time spent up to now is 78.5 secs Computing kpt #: 213 total cpu time spent up to now is 78.9 secs Computing kpt #: 214 total cpu time spent up to now is 79.3 secs Computing kpt #: 215 total cpu time spent up to now is 79.6 secs Computing kpt #: 216 total cpu time spent up to now is 80.0 secs Computing kpt #: 217 total cpu time spent up to now is 80.4 secs Computing kpt #: 218 total cpu time spent up to now is 80.8 secs Computing kpt #: 219 total cpu time spent up to now is 81.2 secs Computing kpt #: 220 total cpu time spent up to now is 81.6 secs Computing kpt #: 221 total cpu time spent up to now is 82.0 secs Computing kpt #: 222 total cpu time spent up to now is 82.4 secs Computing kpt #: 223 total cpu time spent up to now is 82.8 secs Computing kpt #: 224 total cpu time spent up to now is 83.2 secs Computing kpt #: 225 total cpu time spent up to now is 83.5 secs Computing kpt #: 226 total cpu time spent up to now is 83.9 secs Computing kpt #: 227 total cpu time spent up to now is 84.3 secs Computing kpt #: 228 total cpu time spent up to now is 84.6 secs Computing kpt #: 229 total cpu time spent up to now is 84.9 secs Computing kpt #: 230 total cpu time spent up to now is 85.3 secs Computing kpt #: 231 total cpu time spent up to now is 85.6 secs Computing kpt #: 232 total cpu time spent up to now is 86.0 secs Computing kpt #: 233 total cpu time spent up to now is 86.3 secs Computing kpt #: 234 total cpu time spent up to now is 86.6 secs Computing kpt #: 235 total cpu time spent up to now is 87.0 secs Computing kpt #: 236 total cpu time spent up to now is 87.3 secs Computing kpt #: 237 total cpu time spent up to now is 87.6 secs Computing kpt #: 238 total cpu time spent up to now is 88.0 secs Computing kpt #: 239 total cpu time spent up to now is 88.3 secs Computing kpt #: 240 total cpu time spent up to now is 88.6 secs Computing kpt #: 241 total cpu time spent up to now is 89.0 secs Computing kpt #: 242 total cpu time spent up to now is 89.3 secs Computing kpt #: 243 total cpu time spent up to now is 89.6 secs Computing kpt #: 244 total cpu time spent up to now is 90.0 secs Computing kpt #: 245 total cpu time spent up to now is 90.3 secs Computing kpt #: 246 total cpu time spent up to now is 90.6 secs Computing kpt #: 247 total cpu time spent up to now is 91.0 secs Computing kpt #: 248 total cpu time spent up to now is 91.3 secs Computing kpt #: 249 total cpu time spent up to now is 91.6 secs Computing kpt #: 250 total cpu time spent up to now is 91.9 secs Computing kpt #: 251 total cpu time spent up to now is 92.3 secs Computing kpt #: 252 total cpu time spent up to now is 92.6 secs Computing kpt #: 253 total cpu time spent up to now is 92.9 secs Computing kpt #: 254 total cpu time spent up to now is 93.3 secs Computing kpt #: 255 total cpu time spent up to now is 93.6 secs Computing kpt #: 256 total cpu time spent up to now is 93.9 secs Computing kpt #: 257 total cpu time spent up to now is 94.3 secs Computing kpt #: 258 total cpu time spent up to now is 94.6 secs Computing kpt #: 259 total cpu time spent up to now is 94.9 secs Computing kpt #: 260 total cpu time spent up to now is 95.3 secs Computing kpt #: 261 total cpu time spent up to now is 95.6 secs Computing kpt #: 262 total cpu time spent up to now is 95.9 secs Computing kpt #: 263 total cpu time spent up to now is 96.3 secs Computing kpt #: 264 total cpu time spent up to now is 96.6 secs Computing kpt #: 265 total cpu time spent up to now is 97.0 secs Computing kpt #: 266 total cpu time spent up to now is 97.3 secs Computing kpt #: 267 total cpu time spent up to now is 97.7 secs Computing kpt #: 268 total cpu time spent up to now is 98.0 secs Computing kpt #: 269 total cpu time spent up to now is 98.4 secs Computing kpt #: 270 total cpu time spent up to now is 98.7 secs Computing kpt #: 271 total cpu time spent up to now is 99.1 secs Computing kpt #: 272 total cpu time spent up to now is 99.5 secs Computing kpt #: 273 total cpu time spent up to now is 99.8 secs Computing kpt #: 274 total cpu time spent up to now is 100.2 secs Computing kpt #: 275 total cpu time spent up to now is 100.5 secs Computing kpt #: 276 total cpu time spent up to now is 100.9 secs Computing kpt #: 277 total cpu time spent up to now is 101.2 secs Computing kpt #: 278 total cpu time spent up to now is 101.6 secs Computing kpt #: 279 total cpu time spent up to now is 101.9 secs Computing kpt #: 280 total cpu time spent up to now is 102.3 secs Computing kpt #: 281 total cpu time spent up to now is 102.7 secs Computing kpt #: 282 total cpu time spent up to now is 103.0 secs Computing kpt #: 283 total cpu time spent up to now is 103.3 secs Computing kpt #: 284 total cpu time spent up to now is 103.7 secs Computing kpt #: 285 total cpu time spent up to now is 104.0 secs Computing kpt #: 286 total cpu time spent up to now is 104.4 secs Computing kpt #: 287 total cpu time spent up to now is 104.8 secs Computing kpt #: 288 total cpu time spent up to now is 105.2 secs Computing kpt #: 289 total cpu time spent up to now is 105.6 secs Computing kpt #: 290 total cpu time spent up to now is 106.0 secs Computing kpt #: 291 total cpu time spent up to now is 106.4 secs Computing kpt #: 292 total cpu time spent up to now is 106.8 secs Computing kpt #: 293 total cpu time spent up to now is 107.2 secs Computing kpt #: 294 total cpu time spent up to now is 107.6 secs Computing kpt #: 295 total cpu time spent up to now is 108.2 secs Computing kpt #: 296 total cpu time spent up to now is 108.7 secs Computing kpt #: 297 total cpu time spent up to now is 109.2 secs Computing kpt #: 298 total cpu time spent up to now is 109.7 secs Computing kpt #: 299 total cpu time spent up to now is 110.2 secs Computing kpt #: 300 total cpu time spent up to now is 110.8 secs Computing kpt #: 301 total cpu time spent up to now is 111.3 secs Computing kpt #: 302 total cpu time spent up to now is 111.8 secs Computing kpt #: 303 total cpu time spent up to now is 112.4 secs Computing kpt #: 304 total cpu time spent up to now is 113.0 secs Computing kpt #: 305 total cpu time spent up to now is 113.6 secs Computing kpt #: 306 total cpu time spent up to now is 114.1 secs Computing kpt #: 307 total cpu time spent up to now is 115.0 secs Computing kpt #: 308 total cpu time spent up to now is 115.9 secs Computing kpt #: 309 total cpu time spent up to now is 116.4 secs Computing kpt #: 310 total cpu time spent up to now is 116.9 secs Computing kpt #: 311 total cpu time spent up to now is 117.4 secs Computing kpt #: 312 total cpu time spent up to now is 118.0 secs Computing kpt #: 313 total cpu time spent up to now is 118.5 secs Computing kpt #: 314 total cpu time spent up to now is 119.0 secs Computing kpt #: 315 total cpu time spent up to now is 119.4 secs Computing kpt #: 316 total cpu time spent up to now is 119.8 secs Computing kpt #: 317 total cpu time spent up to now is 120.2 secs Computing kpt #: 318 total cpu time spent up to now is 120.6 secs Computing kpt #: 319 total cpu time spent up to now is 120.9 secs Computing kpt #: 320 total cpu time spent up to now is 121.3 secs Computing kpt #: 321 total cpu time spent up to now is 121.7 secs Computing kpt #: 322 total cpu time spent up to now is 122.1 secs Computing kpt #: 323 total cpu time spent up to now is 122.5 secs Computing kpt #: 324 total cpu time spent up to now is 122.9 secs Computing kpt #: 325 total cpu time spent up to now is 123.3 secs Computing kpt #: 326 total cpu time spent up to now is 123.7 secs Computing kpt #: 327 total cpu time spent up to now is 124.1 secs Computing kpt #: 328 total cpu time spent up to now is 124.4 secs Computing kpt #: 329 total cpu time spent up to now is 124.8 secs Computing kpt #: 330 total cpu time spent up to now is 125.2 secs Computing kpt #: 331 total cpu time spent up to now is 125.6 secs Computing kpt #: 332 total cpu time spent up to now is 125.9 secs Computing kpt #: 333 total cpu time spent up to now is 126.3 secs Computing kpt #: 334 total cpu time spent up to now is 126.6 secs Computing kpt #: 335 total cpu time spent up to now is 127.0 secs Computing kpt #: 336 total cpu time spent up to now is 127.3 secs Computing kpt #: 337 total cpu time spent up to now is 127.7 secs Computing kpt #: 338 total cpu time spent up to now is 128.0 secs Computing kpt #: 339 total cpu time spent up to now is 128.4 secs Computing kpt #: 340 total cpu time spent up to now is 128.7 secs Computing kpt #: 341 total cpu time spent up to now is 129.1 secs Computing kpt #: 342 total cpu time spent up to now is 129.5 secs Computing kpt #: 343 total cpu time spent up to now is 129.8 secs Computing kpt #: 344 total cpu time spent up to now is 130.2 secs Computing kpt #: 345 total cpu time spent up to now is 130.5 secs Computing kpt #: 346 total cpu time spent up to now is 130.9 secs Computing kpt #: 347 total cpu time spent up to now is 131.3 secs Computing kpt #: 348 total cpu time spent up to now is 131.7 secs Computing kpt #: 349 total cpu time spent up to now is 132.1 secs Computing kpt #: 350 total cpu time spent up to now is 132.5 secs Computing kpt #: 351 total cpu time spent up to now is 132.9 secs Computing kpt #: 352 total cpu time spent up to now is 133.3 secs Computing kpt #: 353 total cpu time spent up to now is 133.7 secs Computing kpt #: 354 total cpu time spent up to now is 134.1 secs Computing kpt #: 355 total cpu time spent up to now is 134.5 secs Computing kpt #: 356 total cpu time spent up to now is 134.8 secs Computing kpt #: 357 total cpu time spent up to now is 135.2 secs Computing kpt #: 358 total cpu time spent up to now is 135.5 secs Computing kpt #: 359 total cpu time spent up to now is 135.9 secs Computing kpt #: 360 total cpu time spent up to now is 136.2 secs Computing kpt #: 361 total cpu time spent up to now is 136.5 secs Computing kpt #: 362 total cpu time spent up to now is 136.9 secs Computing kpt #: 363 total cpu time spent up to now is 137.2 secs Computing kpt #: 364 total cpu time spent up to now is 137.5 secs Computing kpt #: 365 total cpu time spent up to now is 137.8 secs Computing kpt #: 366 total cpu time spent up to now is 138.2 secs Computing kpt #: 367 total cpu time spent up to now is 138.5 secs Computing kpt #: 368 total cpu time spent up to now is 138.8 secs Computing kpt #: 369 total cpu time spent up to now is 139.1 secs Computing kpt #: 370 total cpu time spent up to now is 139.5 secs Computing kpt #: 371 total cpu time spent up to now is 139.8 secs Computing kpt #: 372 total cpu time spent up to now is 140.2 secs Computing kpt #: 373 total cpu time spent up to now is 140.5 secs Computing kpt #: 374 total cpu time spent up to now is 140.8 secs Computing kpt #: 375 total cpu time spent up to now is 141.2 secs Computing kpt #: 376 total cpu time spent up to now is 141.5 secs Computing kpt #: 377 total cpu time spent up to now is 141.8 secs Computing kpt #: 378 total cpu time spent up to now is 142.2 secs Computing kpt #: 379 total cpu time spent up to now is 142.5 secs Computing kpt #: 380 total cpu time spent up to now is 142.8 secs Computing kpt #: 381 total cpu time spent up to now is 143.2 secs Computing kpt #: 382 total cpu time spent up to now is 143.5 secs Computing kpt #: 383 total cpu time spent up to now is 143.8 secs Computing kpt #: 384 total cpu time spent up to now is 144.2 secs Computing kpt #: 385 total cpu time spent up to now is 144.5 secs Computing kpt #: 386 total cpu time spent up to now is 144.8 secs Computing kpt #: 387 total cpu time spent up to now is 145.1 secs Computing kpt #: 388 total cpu time spent up to now is 145.5 secs Computing kpt #: 389 total cpu time spent up to now is 145.8 secs Computing kpt #: 390 total cpu time spent up to now is 146.1 secs Computing kpt #: 391 total cpu time spent up to now is 146.6 secs Computing kpt #: 392 total cpu time spent up to now is 147.0 secs Computing kpt #: 393 total cpu time spent up to now is 147.5 secs Computing kpt #: 394 total cpu time spent up to now is 147.9 secs Computing kpt #: 395 total cpu time spent up to now is 148.3 secs Computing kpt #: 396 total cpu time spent up to now is 148.7 secs Computing kpt #: 397 total cpu time spent up to now is 149.1 secs Computing kpt #: 398 total cpu time spent up to now is 149.4 secs Computing kpt #: 399 total cpu time spent up to now is 149.8 secs Computing kpt #: 400 total cpu time spent up to now is 150.2 secs Computing kpt #: 401 total cpu time spent up to now is 150.6 secs Computing kpt #: 402 total cpu time spent up to now is 151.0 secs Computing kpt #: 403 total cpu time spent up to now is 151.4 secs Computing kpt #: 404 total cpu time spent up to now is 151.7 secs Computing kpt #: 405 total cpu time spent up to now is 152.1 secs Computing kpt #: 406 total cpu time spent up to now is 152.5 secs Computing kpt #: 407 total cpu time spent up to now is 153.0 secs Computing kpt #: 408 total cpu time spent up to now is 153.4 secs Computing kpt #: 409 total cpu time spent up to now is 154.0 secs ethr = 3.13E-08, avg # of iterations = 21.7 total cpu time spent up to now is 154.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3485 PWs) bands (ev): 0.4901 0.4901 0.6196 0.6196 0.9296 0.9296 0.9426 0.9426 1.5176 1.5176 1.5714 1.5714 1.7893 1.7893 1.9206 1.9206 1.9587 1.9587 2.0883 2.0883 2.3052 2.3052 5.1345 5.1345 6.1253 6.1253 8.8790 8.8790 8.9625 8.9625 9.8314 9.8314 11.2956 11.2956 11.8760 11.8760 12.2648 12.2648 12.3253 12.3253 k = 0.0000 0.0098-0.0000 ( 3477 PWs) bands (ev): 0.4905 0.4905 0.6200 0.6200 0.9297 0.9297 0.9427 0.9427 1.5177 1.5177 1.5720 1.5720 1.7883 1.7883 1.9209 1.9209 1.9587 1.9587 2.0891 2.0891 2.3052 2.3052 5.1361 5.1361 6.1275 6.1275 8.8801 8.8801 8.9639 8.9639 9.8327 9.8327 11.2925 11.2925 11.8758 11.8758 12.2641 12.2641 12.3246 12.3246 k = 0.0000 0.0196-0.0000 ( 3477 PWs) bands (ev): 0.4917 0.4917 0.6213 0.6213 0.9300 0.9300 0.9428 0.9428 1.5175 1.5175 1.5738 1.5738 1.7853 1.7853 1.9214 1.9214 1.9589 1.9589 2.0917 2.0917 2.3050 2.3050 5.1411 5.1411 6.1342 6.1342 8.8835 8.8835 8.9680 8.9680 9.8368 9.8368 11.2833 11.2833 11.8754 11.8754 12.2613 12.2613 12.3227 12.3227 k = 0.0000 0.0294-0.0000 ( 3467 PWs) bands (ev): 0.4938 0.4938 0.6235 0.6235 0.9305 0.9305 0.9429 0.9429 1.5171 1.5171 1.5768 1.5768 1.7806 1.7806 1.9219 1.9219 1.9595 1.9595 2.0959 2.0959 2.3050 2.3050 5.1493 5.1493 6.1452 6.1452 8.8891 8.8891 8.9751 8.9751 9.8435 9.8435 11.2679 11.2679 11.8751 11.8751 12.2554 12.2554 12.3211 12.3211 k = 0.0000 0.0392-0.0000 ( 3469 PWs) bands (ev): 0.4965 0.4965 0.6267 0.6267 0.9310 0.9310 0.9429 0.9429 1.5162 1.5162 1.5812 1.5812 1.7742 1.7742 1.9220 1.9220 1.9606 1.9606 2.1017 2.1017 2.3050 2.3050 5.1608 5.1608 6.1606 6.1606 8.8965 8.8965 8.9852 8.9852 9.8528 9.8528 11.2462 11.2462 11.8755 11.8755 12.2450 12.2450 12.3211 12.3211 k = 0.0000 0.0490-0.0000 ( 3471 PWs) bands (ev): 0.5000 0.5000 0.6308 0.6308 0.9315 0.9315 0.9431 0.9431 1.5149 1.5149 1.5869 1.5869 1.7667 1.7667 1.9212 1.9212 1.9625 1.9625 2.1089 2.1089 2.3052 2.3052 5.1755 5.1755 6.1803 6.1803 8.9055 8.9055 8.9986 8.9986 9.8646 9.8646 11.2184 11.2184 11.8770 11.8770 12.2292 12.2292 12.3236 12.3236 k = 0.0000 0.0588-0.0000 ( 3475 PWs) bands (ev): 0.5040 0.5040 0.6359 0.6359 0.9318 0.9318 0.9434 0.9434 1.5130 1.5130 1.5939 1.5939 1.7583 1.7583 1.9195 1.9195 1.9652 1.9652 2.1175 2.1175 2.3059 2.3059 5.1934 5.1934 6.2043 6.2043 8.9159 8.9159 9.0155 9.0155 9.8787 9.8787 11.1846 11.1846 11.8803 11.8803 12.2084 12.2084 12.3287 12.3287 k = 0.0000 0.0686-0.0000 ( 3477 PWs) bands (ev): 0.5086 0.5086 0.6419 0.6419 0.9320 0.9320 0.9438 0.9438 1.5105 1.5105 1.6020 1.6020 1.7495 1.7495 1.9169 1.9169 1.9685 1.9685 2.1272 2.1272 2.3074 2.3074 5.2144 5.2144 6.2324 6.2324 8.9275 8.9275 9.0359 9.0359 9.8951 9.8951 11.1454 11.1454 11.8856 11.8856 12.1830 12.1830 12.3361 12.3361 k = 0.0000 0.0784-0.0000 ( 3481 PWs) bands (ev): 0.5136 0.5136 0.6490 0.6490 0.9320 0.9320 0.9442 0.9442 1.5074 1.5074 1.6109 1.6109 1.7406 1.7406 1.9134 1.9134 1.9724 1.9724 2.1377 2.1377 2.3101 2.3101 5.2384 5.2384 6.2646 6.2646 8.9400 8.9400 9.0599 9.0599 9.9136 9.9136 11.1010 11.1010 11.8929 11.8929 12.1539 12.1539 12.3455 12.3455 k = 0.0000 0.0882-0.0000 ( 3485 PWs) bands (ev): 0.5190 0.5190 0.6572 0.6572 0.9317 0.9317 0.9446 0.9446 1.5037 1.5037 1.6201 1.6201 1.7322 1.7322 1.9093 1.9093 1.9766 1.9766 2.1486 2.1486 2.3147 2.3147 5.2655 5.2655 6.3009 6.3009 8.9534 8.9534 9.0874 9.0874 9.9338 9.9338 11.0523 11.0523 11.9016 11.9016 12.1221 12.1221 12.3565 12.3565 k = 0.0000 0.0980-0.0000 ( 3489 PWs) bands (ev): 0.5246 0.5246 0.6664 0.6664 0.9311 0.9311 0.9451 0.9451 1.4994 1.4994 1.6288 1.6288 1.7251 1.7251 1.9045 1.9045 1.9811 1.9811 2.1594 2.1594 2.3219 2.3219 5.2956 5.2956 6.3409 6.3409 8.9678 8.9678 9.1181 9.1181 9.9555 9.9555 11.0000 11.0000 11.9101 11.9101 12.0898 12.0898 12.3689 12.3689 k = 0.0000 0.1078-0.0000 ( 3487 PWs) bands (ev): 0.5303 0.5303 0.6767 0.6767 0.9304 0.9304 0.9455 0.9455 1.4947 1.4947 1.6356 1.6356 1.7205 1.7205 1.8993 1.8993 1.9857 1.9857 2.1694 2.1694 2.3327 2.3327 5.3284 5.3284 6.3848 6.3848 8.9831 8.9831 9.1520 9.1520 9.9784 9.9784 10.9449 10.9449 11.9143 11.9143 12.0612 12.0612 12.3827 12.3827 k = 0.0000 0.1176-0.0000 ( 3483 PWs) bands (ev): 0.5361 0.5361 0.6880 0.6880 0.9295 0.9295 0.9457 0.9457 1.4895 1.4895 1.6389 1.6389 1.7199 1.7199 1.8937 1.8937 1.9905 1.9905 2.1780 2.1780 2.3480 2.3480 5.3641 5.3641 6.4322 6.4322 8.9993 8.9993 9.1888 9.1888 10.0021 10.0021 10.8877 10.8877 11.9059 11.9059 12.0450 12.0450 12.3977 12.3977 k = 0.0000 0.1275-0.0000 ( 3483 PWs) bands (ev): 0.5419 0.5419 0.7001 0.7001 0.9285 0.9285 0.9455 0.9455 1.4838 1.4838 1.6378 1.6378 1.7240 1.7240 1.8877 1.8877 1.9954 1.9954 2.1847 2.1847 2.3685 2.3685 5.4024 5.4024 6.4831 6.4831 9.0164 9.0164 9.2280 9.2280 10.0258 10.0258 10.8296 10.8296 11.8784 11.8784 12.0475 12.0475 12.4138 12.4138 k = 0.0000 0.1373-0.0000 ( 3487 PWs) bands (ev): 0.5477 0.5477 0.7131 0.7131 0.9272 0.9272 0.9452 0.9452 1.4778 1.4778 1.6327 1.6327 1.7320 1.7320 1.8814 1.8814 2.0003 2.0003 2.1895 2.1895 2.3945 2.3945 5.4434 5.4434 6.5373 6.5373 9.0345 9.0345 9.2695 9.2695 10.0489 10.0489 10.7714 10.7714 11.8357 11.8357 12.0651 12.0651 12.4307 12.4307 k = 0.0000 0.1471-0.0000 ( 3491 PWs) bands (ev): 0.5533 0.5533 0.7267 0.7267 0.9259 0.9259 0.9445 0.9445 1.4715 1.4715 1.6252 1.6252 1.7426 1.7426 1.8748 1.8748 2.0054 2.0054 2.1925 2.1925 2.4262 2.4262 5.4868 5.4868 6.5947 6.5947 9.0536 9.0536 9.3130 9.3130 10.0703 10.0703 10.7146 10.7146 11.7836 11.7836 12.0919 12.0919 12.4485 12.4485 k = 0.0000 0.1569-0.0000 ( 3489 PWs) bands (ev): 0.5588 0.5588 0.7409 0.7409 0.9244 0.9244 0.9435 0.9435 1.4650 1.4650 1.6162 1.6162 1.7544 1.7544 1.8681 1.8681 2.0106 2.0106 2.1942 2.1942 2.4636 2.4636 5.5327 5.5327 6.6550 6.6550 9.0735 9.0735 9.3579 9.3579 10.0886 10.0886 10.6606 10.6606 11.7252 11.7252 12.1247 12.1247 12.4668 12.4668 k = 0.0000 0.1667-0.0000 ( 3497 PWs) bands (ev): 0.5641 0.5641 0.7553 0.7553 0.9228 0.9228 0.9423 0.9423 1.4585 1.4585 1.6065 1.6065 1.7665 1.7665 1.8610 1.8610 2.0158 2.0158 2.1948 2.1948 2.5064 2.5064 5.5809 5.5809 6.7181 6.7181 9.0944 9.0944 9.4040 9.4040 10.1019 10.1019 10.6117 10.6117 11.6616 11.6616 12.1623 12.1623 12.4856 12.4856 k = 0.0000 0.1765-0.0000 ( 3497 PWs) bands (ev): 0.5693 0.5693 0.7698 0.7698 0.9211 0.9211 0.9410 0.9410 1.4520 1.4520 1.5965 1.5965 1.7784 1.7784 1.8538 1.8538 2.0213 2.0213 2.1946 2.1946 2.5545 2.5545 5.6312 5.6312 6.7838 6.7838 9.1161 9.1161 9.4507 9.4507 10.1075 10.1075 10.5703 10.5703 11.5932 11.5932 12.2039 12.2039 12.5046 12.5046 k = 0.0000 0.1863-0.0000 ( 3501 PWs) bands (ev): 0.5742 0.5742 0.7840 0.7840 0.9194 0.9194 0.9397 0.9397 1.4458 1.4458 1.5866 1.5866 1.7897 1.7897 1.8466 1.8466 2.0267 2.0267 2.1938 2.1938 2.6078 2.6078 5.6837 5.6837 6.8518 6.8518 9.1386 9.1386 9.4977 9.4977 10.1028 10.1028 10.5393 10.5393 11.5201 11.5201 12.2493 12.2493 12.5237 12.5237 k = 0.0000 0.1961-0.0000 ( 3495 PWs) bands (ev): 0.5790 0.5790 0.7978 0.7978 0.9177 0.9177 0.9384 0.9384 1.4400 1.4400 1.5768 1.5768 1.7998 1.7998 1.8398 1.8398 2.0324 2.0324 2.1928 2.1928 2.6661 2.6661 5.7381 5.7381 6.9220 6.9220 9.1618 9.1618 9.5445 9.5445 10.0859 10.0859 10.5205 10.5205 11.4423 11.4423 12.2980 12.2980 12.5426 12.5426 k = 0.0000 0.2059-0.0000 ( 3495 PWs) bands (ev): 0.5835 0.5835 0.8106 0.8106 0.9159 0.9159 0.9375 0.9375 1.4347 1.4347 1.5675 1.5675 1.8076 1.8076 1.8343 1.8343 2.0380 2.0380 2.1914 2.1914 2.7295 2.7295 5.7944 5.7944 6.9940 6.9940 9.1856 9.1856 9.5904 9.5904 10.0570 10.0570 10.5138 10.5138 11.3594 11.3594 12.3498 12.3498 12.5611 12.5611 k = 0.0000 0.2157-0.0000 ( 3495 PWs) bands (ev): 0.5878 0.5878 0.8219 0.8219 0.9140 0.9140 0.9371 0.9371 1.4301 1.4301 1.5586 1.5586 1.8101 1.8101 1.8331 1.8331 2.0437 2.0437 2.1898 2.1898 2.7976 2.7976 5.8526 5.8526 7.0677 7.0677 9.2100 9.2100 9.6348 9.6348 10.0182 10.0182 10.5171 10.5171 11.2714 11.2714 12.4044 12.4044 12.5790 12.5790 k = 0.0000 0.2255-0.0000 ( 3493 PWs) bands (ev): 0.5917 0.5917 0.8315 0.8315 0.9121 0.9121 0.9375 0.9375 1.4265 1.4265 1.5503 1.5503 1.8059 1.8059 1.8376 1.8376 2.0495 2.0495 2.1881 2.1881 2.8705 2.8705 5.9123 5.9123 7.1427 7.1427 9.2348 9.2348 9.6770 9.6770 9.9724 9.9724 10.5275 10.5275 11.1779 11.1779 12.4609 12.4609 12.5965 12.5965 k = 0.0000 0.2353-0.0000 ( 3493 PWs) bands (ev): 0.5954 0.5954 0.8389 0.8389 0.9102 0.9102 0.9388 0.9388 1.4239 1.4239 1.5427 1.5427 1.7987 1.7987 1.8443 1.8443 2.0552 2.0552 2.1864 2.1864 2.9481 2.9481 5.9737 5.9737 7.2188 7.2188 9.2597 9.2597 9.7162 9.7162 9.9224 9.9224 10.5423 10.5423 11.0791 11.0791 12.5177 12.5177 12.6144 12.6144 k = 0.0000 0.2451-0.0000 ( 3493 PWs) bands (ev): 0.5988 0.5988 0.8439 0.8439 0.9083 0.9083 0.9410 0.9410 1.4224 1.4224 1.5360 1.5360 1.7904 1.7904 1.8513 1.8513 2.0609 2.0609 2.1847 2.1847 3.0301 3.0301 6.0365 6.0365 7.2955 7.2955 9.2846 9.2846 9.7506 9.7506 9.8712 9.8712 10.5597 10.5597 10.9752 10.9752 12.5692 12.5692 12.6374 12.6374 k = 0.0000 0.2549-0.0000 ( 3493 PWs) bands (ev): 0.6019 0.6019 0.8464 0.8464 0.9066 0.9066 0.9440 0.9440 1.4220 1.4220 1.5303 1.5303 1.7816 1.7816 1.8580 1.8580 2.0665 2.0665 2.1829 2.1829 3.1165 3.1165 6.1006 6.1006 7.3727 7.3727 9.3091 9.3091 9.7734 9.7734 9.8260 9.8260 10.5781 10.5781 10.8668 10.8668 12.6021 12.6021 12.6780 12.6780 k = 0.0000 0.2647-0.0000 ( 3481 PWs) bands (ev): 0.6048 0.6048 0.8466 0.8466 0.9051 0.9051 0.9475 0.9475 1.4228 1.4228 1.5259 1.5259 1.7727 1.7727 1.8643 1.8643 2.0719 2.0719 2.1811 2.1811 3.2071 3.2071 6.1660 6.1660 7.4498 7.4498 9.3327 9.3327 9.7495 9.7495 9.8217 9.8217 10.5965 10.5965 10.7555 10.7555 12.6161 12.6161 12.7353 12.7353 k = 0.0000 0.2745-0.0000 ( 3485 PWs) bands (ev): 0.6073 0.6073 0.8448 0.8448 0.9038 0.9038 0.9509 0.9509 1.4243 1.4243 1.5229 1.5229 1.7636 1.7636 1.8701 1.8701 2.0772 2.0772 2.1792 2.1792 3.3019 3.3019 6.2324 6.2324 7.5263 7.5263 9.3545 9.3545 9.7005 9.7005 9.8360 9.8360 10.6135 10.6135 10.6442 10.6442 12.6208 12.6208 12.7984 12.7984 k = 0.0000 0.2843-0.0000 ( 3487 PWs) bands (ev): 0.6095 0.6095 0.8413 0.8413 0.9027 0.9027 0.9539 0.9539 1.4265 1.4265 1.5216 1.5216 1.7545 1.7545 1.8755 1.8755 2.0822 2.0822 2.1773 2.1773 3.4008 3.4008 6.2999 6.2999 7.6019 7.6019 9.3731 9.3731 9.6502 9.6502 9.8433 9.8433 10.5341 10.5341 10.6315 10.6315 12.6196 12.6196 12.8575 12.8575 k = 0.0000 0.2941-0.0000 ( 3479 PWs) bands (ev): 0.6116 0.6116 0.8366 0.8366 0.9021 0.9021 0.9564 0.9564 1.4289 1.4289 1.5224 1.5224 1.7456 1.7456 1.8805 1.8805 2.0871 2.0871 2.1755 2.1755 3.5036 3.5036 6.3682 6.3682 7.6758 7.6758 9.3861 9.3861 9.6016 9.6016 9.8383 9.8383 10.4342 10.4342 10.6464 10.6464 12.6134 12.6134 12.8291 12.8291 k = 0.0000 0.3039-0.0000 ( 3475 PWs) bands (ev): 0.6133 0.6133 0.8306 0.8306 0.9018 0.9018 0.9581 0.9581 1.4312 1.4312 1.5254 1.5254 1.7369 1.7369 1.8851 1.8851 2.0917 2.0917 2.1736 2.1736 3.6103 3.6103 6.4373 6.4373 7.7475 7.7475 9.3888 9.3888 9.5564 9.5564 9.8179 9.8179 10.3504 10.3504 10.6595 10.6595 12.6027 12.6027 12.7809 12.7809 k = 0.0000 0.3137-0.0000 ( 3489 PWs) bands (ev): 0.6147 0.6147 0.8237 0.8237 0.9016 0.9016 0.9589 0.9589 1.4330 1.4330 1.5303 1.5303 1.7285 1.7285 1.8892 1.8892 2.0958 2.0958 2.1716 2.1716 3.7207 3.7207 6.5069 6.5069 7.8162 7.8162 9.3732 9.3732 9.5156 9.5156 9.7847 9.7847 10.2883 10.2883 10.6706 10.6706 12.5879 12.5879 12.7336 12.7336 k = 0.0000 0.3235-0.0000 ( 3484 PWs) bands (ev): 0.6161 0.6161 0.8162 0.8162 0.9017 0.9017 0.9591 0.9591 1.4344 1.4344 1.5371 1.5371 1.7209 1.7209 1.8930 1.8930 2.0997 2.0997 2.1698 2.1698 3.8349 3.8349 6.5771 6.5771 7.8810 7.8810 9.3296 9.3296 9.4788 9.4788 9.7501 9.7501 10.2482 10.2482 10.6794 10.6794 12.5695 12.5695 12.6877 12.6877 k = 0.0000 0.3333-0.0000 ( 3486 PWs) bands (ev): 0.6173 0.6173 0.8080 0.8080 0.9021 0.9021 0.9586 0.9586 1.4355 1.4355 1.5452 1.5452 1.7142 1.7142 1.8964 1.8964 2.1033 2.1033 2.1678 2.1678 3.9526 3.9526 6.6475 6.6475 7.9410 7.9410 9.2517 9.2517 9.4447 9.4447 9.7280 9.7280 10.2252 10.2252 10.6858 10.6858 12.5483 12.5483 12.6436 12.6436 k = 0.0000 0.3431-0.0000 ( 3478 PWs) bands (ev): 0.6185 0.6185 0.7995 0.7995 0.9027 0.9027 0.9576 0.9576 1.4365 1.4365 1.5538 1.5538 1.7088 1.7088 1.8994 1.8994 2.1066 2.1066 2.1659 2.1659 4.0739 4.0739 6.7181 6.7181 7.9952 7.9952 9.1420 9.1420 9.4149 9.4149 9.7221 9.7221 10.2133 10.2133 10.6896 10.6896 12.5250 12.5250 12.6014 12.6014 k = 0.0000 0.3529-0.0000 ( 3476 PWs) bands (ev): 0.6197 0.6197 0.7905 0.7905 0.9034 0.9034 0.9561 0.9561 1.4374 1.4374 1.5620 1.5620 1.7053 1.7053 1.9019 1.9019 2.1095 2.1095 2.1640 2.1640 4.1985 4.1985 6.7886 6.7886 8.0424 8.0424 9.0088 9.0088 9.3915 9.3915 9.7280 9.7280 10.2080 10.2080 10.6909 10.6909 12.5003 12.5003 12.5612 12.5612 k = 0.0000 0.3627-0.0000 ( 3474 PWs) bands (ev): 0.6209 0.6209 0.7813 0.7813 0.9042 0.9042 0.9543 0.9543 1.4384 1.4384 1.5687 1.5687 1.7042 1.7042 1.9040 1.9040 2.1121 2.1121 2.1621 2.1621 4.3266 4.3266 6.8589 6.8589 8.0816 8.0816 8.8604 8.8604 9.3755 9.3755 9.7406 9.7406 10.2067 10.2067 10.6895 10.6895 12.4748 12.4748 12.5231 12.5231 k = 0.0000 0.3725-0.0000 ( 3462 PWs) bands (ev): 0.6222 0.6222 0.7720 0.7720 0.9052 0.9052 0.9522 0.9522 1.4398 1.4398 1.5733 1.5733 1.7062 1.7062 1.9055 1.9055 2.1144 2.1144 2.1602 2.1602 4.4579 4.4579 6.9288 6.9288 8.1118 8.1118 8.7025 8.7025 9.3676 9.3676 9.7563 9.7563 10.2080 10.2080 10.6855 10.6855 12.4491 12.4491 12.4873 12.4873 k = 0.0000 0.3824-0.0000 ( 3466 PWs) bands (ev): 0.6236 0.6236 0.7626 0.7626 0.9062 0.9062 0.9498 0.9498 1.4415 1.4415 1.5751 1.5751 1.7113 1.7113 1.9064 1.9064 2.1163 2.1163 2.1583 2.1583 4.5924 4.5924 6.9977 6.9977 8.1324 8.1324 8.5388 8.5388 9.3680 9.3680 9.7729 9.7729 10.2114 10.2114 10.6787 10.6787 12.4237 12.4237 12.4538 12.4538 k = 0.0000 0.3922-0.0000 ( 3468 PWs) bands (ev): 0.6252 0.6252 0.7531 0.7531 0.9073 0.9073 0.9473 0.9473 1.4436 1.4436 1.5742 1.5742 1.7193 1.7193 1.9067 1.9067 2.1181 2.1181 2.1563 2.1563 4.7300 4.7300 7.0655 7.0655 8.1425 8.1425 8.3725 8.3725 9.3764 9.3764 9.7887 9.7887 10.2167 10.2167 10.6693 10.6693 12.3991 12.3991 12.4226 12.4226 k = 0.0000 0.4020-0.0000 ( 3472 PWs) bands (ev): 0.6270 0.6270 0.7437 0.7437 0.9084 0.9084 0.9447 0.9447 1.4462 1.4462 1.5711 1.5711 1.7297 1.7297 1.9063 1.9063 2.1196 2.1196 2.1543 2.1543 4.8706 4.8706 7.1312 7.1312 8.1374 8.1374 8.2104 8.2104 9.3924 9.3924 9.8026 9.8026 10.2241 10.2241 10.6574 10.6574 12.3757 12.3757 12.3940 12.3940 k = 0.0000 0.4118-0.0000 ( 3476 PWs) bands (ev): 0.6291 0.6291 0.7344 0.7344 0.9096 0.9096 0.9422 0.9422 1.4494 1.4494 1.5662 1.5662 1.7418 1.7418 1.9051 1.9051 2.1210 2.1210 2.1524 2.1524 5.0142 5.0142 7.1936 7.1936 8.0276 8.0276 8.1450 8.1450 9.4150 9.4150 9.8136 9.8136 10.2338 10.2338 10.6429 10.6429 12.3538 12.3538 12.3678 12.3678 k = 0.0000 0.4216-0.0000 ( 3472 PWs) bands (ev): 0.6314 0.6314 0.7253 0.7253 0.9109 0.9109 0.9397 0.9397 1.4531 1.4531 1.5602 1.5602 1.7549 1.7549 1.9032 1.9032 2.1223 2.1223 2.1505 2.1505 5.1606 5.1606 7.2497 7.2497 7.8674 7.8674 8.1266 8.1266 9.4430 9.4430 9.8209 9.8209 10.2461 10.2461 10.6260 10.6260 12.3335 12.3335 12.3443 12.3443 k = 0.0000 0.4314-0.0000 ( 3474 PWs) bands (ev): 0.6341 0.6341 0.7165 0.7165 0.9121 0.9121 0.9372 0.9372 1.4573 1.4573 1.5533 1.5533 1.7685 1.7685 1.9004 1.9004 2.1237 2.1237 2.1485 2.1485 5.3097 5.3097 7.2906 7.2906 7.7186 7.7186 8.1031 8.1031 9.4751 9.4751 9.8239 9.8239 10.2612 10.2612 10.6069 10.6069 12.3153 12.3153 12.3235 12.3235 k = 0.0000 0.4412-0.0000 ( 3480 PWs) bands (ev): 0.6372 0.6372 0.7079 0.7079 0.9134 0.9134 0.9348 0.9348 1.4620 1.4620 1.5459 1.5459 1.7821 1.7821 1.8968 1.8968 2.1249 2.1249 2.1464 2.1464 5.4615 5.4615 7.2894 7.2894 7.6106 7.6106 8.0738 8.0738 9.5100 9.5100 9.8223 9.8223 10.2792 10.2792 10.5857 10.5857 12.2991 12.2991 12.3053 12.3053 k = 0.0000 0.4510-0.0000 ( 3480 PWs) bands (ev): 0.6407 0.6407 0.6997 0.6997 0.9147 0.9147 0.9324 0.9324 1.4671 1.4671 1.5381 1.5381 1.7957 1.7957 1.8922 1.8922 2.1263 2.1263 2.1444 2.1444 5.6159 5.6159 7.2081 7.2081 7.5818 7.5818 8.0393 8.0393 9.5464 9.5464 9.8160 9.8160 10.2998 10.2998 10.5626 10.5626 12.2852 12.2852 12.2898 12.2898 k = 0.0000 0.4608-0.0000 ( 3484 PWs) bands (ev): 0.6445 0.6445 0.6918 0.6918 0.9162 0.9162 0.9302 0.9302 1.4728 1.4728 1.5302 1.5302 1.8089 1.8089 1.8867 1.8867 2.1277 2.1277 2.1424 2.1424 5.7726 5.7726 7.0703 7.0703 7.6088 7.6088 8.0003 8.0003 9.5833 9.5833 9.8049 9.8049 10.3227 10.3227 10.5379 10.5379 12.2738 12.2738 12.2771 12.2771 k = 0.0000 0.4706-0.0000 ( 3484 PWs) bands (ev): 0.6488 0.6488 0.6843 0.6843 0.9176 0.9176 0.9281 0.9281 1.4789 1.4789 1.5223 1.5223 1.8215 1.8215 1.8802 1.8802 2.1292 2.1292 2.1403 2.1403 5.9315 5.9315 6.9131 6.9131 7.6546 7.6546 7.9574 7.9574 9.6197 9.6197 9.7893 9.7893 10.3476 10.3476 10.5119 10.5119 12.2648 12.2648 12.2671 12.2671 k = 0.0000 0.4804-0.0000 ( 3486 PWs) bands (ev): 0.6536 0.6536 0.6772 0.6772 0.9192 0.9192 0.9262 0.9262 1.4854 1.4854 1.5145 1.5145 1.8334 1.8334 1.8726 1.8726 2.1308 2.1308 2.1383 2.1383 6.0925 6.0925 6.7497 6.7497 7.7062 7.7062 7.9113 7.9113 9.6548 9.6548 9.7694 9.7694 10.3739 10.3739 10.4849 10.4849 12.2585 12.2585 12.2599 12.2599 k = 0.0000 0.4902-0.0000 ( 3498 PWs) bands (ev): 0.6588 0.6588 0.6706 0.6706 0.9207 0.9207 0.9242 0.9242 1.4922 1.4922 1.5068 1.5068 1.8444 1.8444 1.8641 1.8641 2.1325 2.1325 2.1363 2.1363 6.2552 6.2552 6.5845 6.5845 7.7591 7.7591 7.8625 7.8625 9.6878 9.6878 9.7456 9.7456 10.4013 10.4013 10.4572 10.4572 12.2547 12.2547 12.2554 12.2554 k = 0.0000 0.5000-0.0000 ( 3494 PWs) bands (ev): 0.6645 0.6645 0.6645 0.6645 0.9224 0.9224 0.9224 0.9224 1.4994 1.4994 1.4994 1.4994 1.8547 1.8547 1.8547 1.8547 2.1344 2.1344 2.1344 2.1344 6.4194 6.4194 6.4194 6.4194 7.8116 7.8116 7.8116 7.8116 9.7183 9.7183 9.7183 9.7183 10.4292 10.4292 10.4292 10.4292 12.2537 12.2537 12.2537 12.2537 k = 0.0000 0.5000-0.0000 ( 3494 PWs) bands (ev): 0.6645 0.6645 0.6645 0.6645 0.9224 0.9224 0.9224 0.9224 1.4994 1.4994 1.4994 1.4994 1.8547 1.8547 1.8547 1.8547 2.1344 2.1344 2.1344 2.1344 6.4194 6.4194 6.4194 6.4194 7.8116 7.8116 7.8116 7.8116 9.7183 9.7183 9.7183 9.7183 10.4292 10.4292 10.4292 10.4292 12.2537 12.2537 12.2537 12.2537 k = 0.0098 0.5000-0.0000 ( 3486 PWs) bands (ev): 0.6628 0.6628 0.6670 0.6670 0.9222 0.9222 0.9224 0.9224 1.4944 1.4944 1.5040 1.5040 1.8537 1.8537 1.8565 1.8565 2.1298 2.1298 2.1383 2.1383 6.4206 6.4206 6.4211 6.4211 7.8134 7.8134 7.8136 7.8136 9.7192 9.7192 9.7203 9.7203 10.4268 10.4268 10.4278 10.4278 12.2506 12.2506 12.2546 12.2546 k = 0.0196 0.5000-0.0000 ( 3482 PWs) bands (ev): 0.6619 0.6619 0.6701 0.6701 0.9217 0.9217 0.9219 0.9219 1.4888 1.4888 1.5082 1.5082 1.8533 1.8533 1.8589 1.8589 2.1244 2.1244 2.1414 2.1414 6.4245 6.4245 6.4256 6.4256 7.8191 7.8191 7.8195 7.8195 9.7231 9.7231 9.7253 9.7253 10.4209 10.4209 10.4229 10.4229 12.2453 12.2453 12.2530 12.2530 k = 0.0294 0.5000-0.0000 ( 3482 PWs) bands (ev): 0.6616 0.6616 0.6739 0.6739 0.9210 0.9210 0.9211 0.9211 1.4828 1.4828 1.5120 1.5120 1.8535 1.8535 1.8620 1.8620 2.1182 2.1182 2.1438 2.1438 6.4313 6.4313 6.4329 6.4329 7.8286 7.8286 7.8292 7.8292 9.7294 9.7294 9.7328 9.7328 10.4119 10.4119 10.4150 10.4150 12.2374 12.2374 12.2488 12.2488 k = 0.0392 0.5000-0.0000 ( 3482 PWs) bands (ev): 0.6620 0.6620 0.6783 0.6783 0.9197 0.9197 0.9200 0.9200 1.4763 1.4763 1.5155 1.5155 1.8543 1.8543 1.8656 1.8656 2.1112 2.1112 2.1455 2.1455 6.4409 6.4409 6.4430 6.4430 7.8420 7.8420 7.8428 7.8428 9.7377 9.7377 9.7423 9.7423 10.4007 10.4007 10.4048 10.4048 12.2268 12.2268 12.2414 12.2414 k = 0.0490 0.5000-0.0000 ( 3482 PWs) bands (ev): 0.6631 0.6631 0.6832 0.6832 0.9179 0.9179 0.9189 0.9189 1.4693 1.4693 1.5188 1.5188 1.8555 1.8555 1.8698 1.8698 2.1034 2.1034 2.1466 2.1466 6.4532 6.4532 6.4558 6.4558 7.8592 7.8592 7.8602 7.8602 9.7471 9.7471 9.7530 9.7530 10.3884 10.3884 10.3937 10.3937 12.2128 12.2128 12.2303 12.2303 k = 0.0588 0.5000-0.0000 ( 3482 PWs) bands (ev): 0.6648 0.6648 0.6884 0.6884 0.9157 0.9157 0.9177 0.9177 1.4619 1.4619 1.5220 1.5220 1.8573 1.8573 1.8746 1.8746 2.0950 2.0950 2.1472 2.1472 6.4681 6.4681 6.4712 6.4712 7.8803 7.8803 7.8814 7.8814 9.7562 9.7562 9.7635 9.7635 10.3767 10.3767 10.3832 10.3832 12.1953 12.1953 12.2151 12.2151 k = 0.0686 0.5000-0.0000 ( 3472 PWs) bands (ev): 0.6670 0.6670 0.6940 0.6940 0.9130 0.9130 0.9167 0.9167 1.4542 1.4542 1.5254 1.5254 1.8594 1.8594 1.8798 1.8798 2.0860 2.0860 2.1474 2.1474 6.4856 6.4856 6.4892 6.4892 7.9052 7.9052 7.9065 7.9065 9.7635 9.7635 9.7721 9.7721 10.3678 10.3678 10.3755 10.3755 12.1737 12.1737 12.1954 12.1954 k = 0.0784 0.5000-0.0000 ( 3472 PWs) bands (ev): 0.6696 0.6696 0.6995 0.6995 0.9098 0.9098 0.9157 0.9157 1.4464 1.4464 1.5288 1.5288 1.8618 1.8618 1.8854 1.8854 2.0764 2.0764 2.1472 2.1472 6.5056 6.5056 6.5097 6.5097 7.9338 7.9338 7.9353 7.9353 9.7671 9.7671 9.7769 9.7769 10.3640 10.3640 10.3727 10.3727 12.1479 12.1479 12.1709 12.1709 k = 0.0882 0.5000-0.0000 ( 3472 PWs) bands (ev): 0.6725 0.6725 0.7050 0.7050 0.9061 0.9061 0.9149 0.9149 1.4385 1.4385 1.5326 1.5326 1.8644 1.8644 1.8913 1.8913 2.0664 2.0664 2.1468 2.1468 6.5279 6.5279 6.5325 6.5325 7.9663 7.9663 7.9679 7.9679 9.7648 9.7648 9.7758 9.7758 10.3680 10.3680 10.3775 10.3775 12.1178 12.1178 12.1416 12.1416 k = 0.0980 0.5000-0.0000 ( 3468 PWs) bands (ev): 0.6756 0.6756 0.7101 0.7101 0.9020 0.9020 0.9144 0.9144 1.4306 1.4306 1.5369 1.5369 1.8671 1.8671 1.8973 1.8973 2.0561 2.0561 2.1463 2.1463 6.5526 6.5526 6.5577 6.5577 8.0024 8.0024 8.0042 8.0042 9.7553 9.7553 9.7670 9.7670 10.3817 10.3817 10.3919 10.3919 12.0835 12.0835 12.1078 12.1078 k = 0.1078 0.5000-0.0000 ( 3464 PWs) bands (ev): 0.6789 0.6789 0.7146 0.7146 0.8973 0.8973 0.9144 0.9144 1.4230 1.4230 1.5417 1.5417 1.8698 1.8698 1.9035 1.9035 2.0455 2.0455 2.1458 2.1458 6.5794 6.5794 6.5850 6.5850 8.0423 8.0423 8.0442 8.0442 9.7374 9.7374 9.7496 9.7496 10.4065 10.4065 10.4169 10.4169 12.0452 12.0452 12.0697 12.0697 k = 0.1176 0.5000-0.0000 ( 3460 PWs) bands (ev): 0.6821 0.6821 0.7184 0.7184 0.8923 0.8923 0.9147 0.9147 1.4159 1.4159 1.5471 1.5471 1.8725 1.8725 1.9096 1.9096 2.0350 2.0350 2.1454 2.1454 6.6083 6.6083 6.6143 6.6143 8.0858 8.0858 8.0879 8.0879 9.7115 9.7115 9.7239 9.7239 10.4426 10.4426 10.4530 10.4530 12.0034 12.0034 12.0278 12.0278 k = 0.1275 0.5000-0.0000 ( 3468 PWs) bands (ev): 0.6851 0.6851 0.7212 0.7212 0.8867 0.8867 0.9154 0.9154 1.4093 1.4093 1.5533 1.5533 1.8750 1.8750 1.9154 1.9154 2.0246 2.0246 2.1450 2.1450 6.6391 6.6391 6.6456 6.6456 8.1329 8.1329 8.1351 8.1351 9.6783 9.6783 9.6906 9.6906 10.4893 10.4893 10.4995 10.4995 11.9585 11.9585 11.9828 11.9828 k = 0.1373 0.5000-0.0000 ( 3464 PWs) bands (ev): 0.6880 0.6880 0.7229 0.7229 0.8809 0.8809 0.9165 0.9165 1.4035 1.4035 1.5603 1.5603 1.8775 1.8775 1.9207 1.9207 2.0148 2.0148 2.1450 2.1450 6.6718 6.6718 6.6788 6.6788 8.1836 8.1836 8.1858 8.1858 9.6388 9.6388 9.6511 9.6511 10.5456 10.5456 10.5557 10.5557 11.9110 11.9110 11.9352 11.9352 k = 0.1471 0.5000-0.0000 ( 3460 PWs) bands (ev): 0.6904 0.6904 0.7235 0.7235 0.8746 0.8746 0.9178 0.9178 1.3989 1.3989 1.5683 1.5683 1.8797 1.8797 1.9252 1.9252 2.0061 2.0061 2.1454 2.1454 6.7062 6.7062 6.7136 6.7136 8.2377 8.2377 8.2401 8.2401 9.5944 9.5944 9.6066 9.6066 10.6103 10.6103 10.6205 10.6205 11.8614 11.8614 11.8857 11.8857 k = 0.1569 0.5000-0.0000 ( 3456 PWs) bands (ev): 0.6924 0.6924 0.7229 0.7229 0.8680 0.8680 0.9192 0.9192 1.3955 1.3955 1.5772 1.5772 1.8817 1.8817 1.9280 1.9280 1.9990 1.9990 2.1462 2.1462 6.7422 6.7422 6.7501 6.7501 8.2952 8.2952 8.2977 8.2977 9.5462 9.5462 9.5583 9.5583 10.6823 10.6823 10.6928 10.6928 11.8104 11.8104 11.8350 11.8350 k = 0.1667 0.5000-0.0000 ( 3468 PWs) bands (ev): 0.6937 0.6937 0.7211 0.7211 0.8610 0.8610 0.9201 0.9201 1.3935 1.3935 1.5870 1.5870 1.8834 1.8834 1.9285 1.9285 1.9944 1.9944 2.1474 2.1474 6.7797 6.7797 6.7880 6.7880 8.3560 8.3560 8.3586 8.3586 9.4951 9.4951 9.5072 9.5072 10.7605 10.7605 10.7717 10.7717 11.7586 11.7586 11.7841 11.7841 k = 0.1765 0.5000-0.0000 ( 3460 PWs) bands (ev): 0.6945 0.6945 0.7182 0.7182 0.8538 0.8538 0.9206 0.9206 1.3933 1.3933 1.5979 1.5979 1.8850 1.8850 1.9263 1.9263 1.9931 1.9931 2.1493 2.1493 6.8185 6.8185 6.8274 6.8274 8.4200 8.4200 8.4227 8.4227 9.4419 9.4419 9.4541 9.4541 10.8436 10.8436 10.8563 10.8563 11.7067 11.7067 11.7337 11.7337 k = 0.1863 0.5000-0.0000 ( 3464 PWs) bands (ev): 0.6944 0.6944 0.7144 0.7144 0.8463 0.8463 0.9202 0.9202 1.3949 1.3949 1.6097 1.6097 1.8862 1.8862 1.9215 1.9215 1.9946 1.9946 2.1516 2.1516 6.8587 6.8587 6.8680 6.8680 8.4871 8.4871 8.4899 8.4899 9.3872 9.3872 9.3996 9.3996 10.9302 10.9302 10.9453 10.9453 11.6557 11.6557 11.6854 11.6854 k = 0.1961 0.5000-0.0000 ( 3466 PWs) bands (ev): 0.6937 0.6937 0.7097 0.7097 0.8386 0.8386 0.9187 0.9187 1.3985 1.3985 1.6224 1.6224 1.8873 1.8873 1.9149 1.9149 1.9984 1.9984 2.1545 2.1545 6.8999 6.8999 6.9098 6.9098 8.5572 8.5572 8.5601 8.5601 9.3318 9.3318 9.3444 9.3444 11.0179 11.0179 11.0372 11.0372 11.6071 11.6071 11.6411 11.6411 k = 0.2059 0.5000-0.0000 ( 3466 PWs) bands (ev): 0.6922 0.6922 0.7043 0.7043 0.8306 0.8306 0.9160 0.9160 1.4041 1.4041 1.6359 1.6359 1.8882 1.8882 1.9074 1.9074 2.0038 2.0038 2.1580 2.1580 6.9422 6.9422 6.9526 6.9526 8.6301 8.6301 8.6332 8.6332 9.2759 9.2759 9.2888 9.2888 11.1028 11.1028 11.1288 11.1288 11.5638 11.5638 11.6048 11.6048 k = 0.2157 0.5000-0.0000 ( 3468 PWs) bands (ev): 0.6899 0.6899 0.6982 0.6982 0.8224 0.8224 0.9119 0.9119 1.4116 1.4116 1.6500 1.6500 1.8890 1.8890 1.8995 1.8995 2.0101 2.0101 2.1620 2.1620 6.9855 6.9855 6.9964 6.9964 8.7056 8.7056 8.7090 8.7090 9.2201 9.2201 9.2333 9.2333 11.1771 11.1771 11.2130 11.2130 11.5328 11.5328 11.5842 11.5842 k = 0.2255 0.5000-0.0000 ( 3468 PWs) bands (ev): 0.6869 0.6869 0.6917 0.6917 0.8140 0.8140 0.9064 0.9064 1.4210 1.4210 1.6647 1.6647 1.8898 1.8898 1.8918 1.8918 2.0172 2.0172 2.1666 2.1666 7.0295 7.0295 7.0410 7.0410 8.7836 8.7836 8.7874 8.7874 9.1648 9.1648 9.1783 9.1783 11.2275 11.2275 11.2720 11.2720 11.5318 11.5318 11.5923 11.5923 k = 0.2353 0.5000-0.0000 ( 3476 PWs) bands (ev): 0.6831 0.6831 0.6847 0.6847 0.8054 0.8054 0.8994 0.8994 1.4320 1.4320 1.6797 1.6797 1.8844 1.8844 1.8904 1.8904 2.0248 2.0248 2.1717 2.1717 7.0742 7.0742 7.0863 7.0863 8.8637 8.8637 8.8681 8.8681 9.1105 9.1105 9.1241 9.1241 11.2438 11.2438 11.2855 11.2855 11.5806 11.5806 11.6389 11.6389 k = 0.2451 0.5000-0.0000 ( 3476 PWs) bands (ev): 0.6774 0.6774 0.6788 0.6788 0.7967 0.7967 0.8913 0.8913 1.4445 1.4445 1.6947 1.6947 1.8778 1.8778 1.8912 1.8912 2.0329 2.0329 2.1772 2.1772 7.1195 7.1195 7.1322 7.1322 8.9442 8.9442 8.9504 8.9504 9.0590 9.0590 9.0717 9.0717 11.2320 11.2320 11.2650 11.2650 11.6675 11.6675 11.7178 11.7178 k = 0.2549 0.5000-0.0000 ( 3468 PWs) bands (ev): 0.6701 0.6701 0.6740 0.6740 0.7878 0.7878 0.8820 0.8820 1.4583 1.4583 1.7096 1.7096 1.8721 1.8721 1.8920 1.8920 2.0414 2.0414 2.1832 2.1832 7.1651 7.1651 7.1785 7.1785 8.9894 8.9894 9.0094 9.0094 9.0460 9.0460 9.0462 9.0462 11.2052 11.2052 11.2310 11.2310 11.7712 11.7712 11.8153 11.8153 k = 0.2647 0.5000-0.0000 ( 3460 PWs) bands (ev): 0.6625 0.6625 0.6688 0.6688 0.7787 0.7787 0.8717 0.8717 1.4731 1.4731 1.7237 1.7237 1.8678 1.8678 1.8930 1.8930 2.0503 2.0503 2.1896 2.1896 7.2109 7.2109 7.2251 7.2251 8.9466 8.9466 8.9652 8.9652 9.1249 9.1249 9.1271 9.1271 11.1720 11.1720 11.1930 11.1930 11.8818 11.8818 11.9221 11.9221 k = 0.2745 0.5000-0.0000 ( 3464 PWs) bands (ev): 0.6548 0.6548 0.6631 0.6631 0.7694 0.7694 0.8605 0.8605 1.4885 1.4885 1.7366 1.7366 1.8650 1.8650 1.8941 1.8941 2.0596 2.0596 2.1963 2.1963 7.2568 7.2568 7.2718 7.2718 8.8979 8.8979 8.9167 8.9167 9.2128 9.2128 9.2160 9.2160 11.1367 11.1367 11.1546 11.1546 11.9947 11.9947 12.0330 12.0330 k = 0.2843 0.5000-0.0000 ( 3468 PWs) bands (ev): 0.6472 0.6472 0.6571 0.6571 0.7599 0.7599 0.8485 0.8485 1.5044 1.5044 1.7476 1.7476 1.8641 1.8641 1.8953 1.8953 2.0693 2.0693 2.2033 2.2033 7.3026 7.3026 7.3184 7.3184 8.8502 8.8502 8.8697 8.8697 9.3033 9.3033 9.3071 9.3071 11.1017 11.1017 11.1174 11.1174 12.1071 12.1071 12.1446 12.1446 k = 0.2941 0.5000-0.0000 ( 3472 PWs) bands (ev): 0.6396 0.6396 0.6510 0.6510 0.7504 0.7504 0.8361 0.8361 1.5205 1.5205 1.7564 1.7564 1.8657 1.8657 1.8968 1.8968 2.0796 2.0796 2.2105 2.2105 7.3480 7.3480 7.3647 7.3647 8.8043 8.8043 8.8245 8.8245 9.3956 9.3956 9.3999 9.3999 11.0681 11.0681 11.0823 11.0823 12.2169 12.2169 12.2542 12.2542 k = 0.3039 0.5000-0.0000 ( 3468 PWs) bands (ev): 0.6322 0.6322 0.6448 0.6448 0.7408 0.7408 0.8233 0.8233 1.5366 1.5366 1.7627 1.7627 1.8697 1.8697 1.8986 1.8986 2.0904 2.0904 2.2181 2.2181 7.3928 7.3928 7.4104 7.4104 8.7604 8.7604 8.7815 8.7815 9.4893 9.4893 9.4941 9.4941 11.0369 11.0369 11.0499 11.0499 12.3217 12.3217 12.3593 12.3593 k = 0.3137 0.5000-0.0000 ( 3470 PWs) bands (ev): 0.6249 0.6249 0.6386 0.6386 0.7311 0.7311 0.8102 0.8102 1.5525 1.5525 1.7664 1.7664 1.8758 1.8758 1.9007 1.9007 2.1017 2.1017 2.2257 2.2257 7.4368 7.4368 7.4553 7.4553 8.7188 8.7188 8.7409 8.7409 9.5844 9.5844 9.5896 9.5896 11.0084 11.0084 11.0205 11.0205 12.4192 12.4192 12.4573 12.4573 k = 0.3235 0.5000-0.0000 ( 3470 PWs) bands (ev): 0.6179 0.6179 0.6324 0.6324 0.7215 0.7215 0.7970 0.7970 1.5680 1.5680 1.7680 1.7680 1.8834 1.8834 1.9030 1.9030 2.1136 2.1136 2.2334 2.2334 7.4796 7.4796 7.4992 7.4992 8.6797 8.6797 8.7027 8.7027 9.6804 9.6804 9.6862 9.6862 10.9832 10.9832 10.9946 10.9946 12.5069 12.5069 12.5454 12.5454 k = 0.3333 0.5000-0.0000 ( 3478 PWs) bands (ev): 0.6112 0.6112 0.6263 0.6263 0.7119 0.7119 0.7837 0.7837 1.5829 1.5829 1.7681 1.7681 1.8919 1.8919 1.9055 1.9055 2.1259 2.1259 2.2412 2.2412 7.5211 7.5211 7.5416 7.5416 8.6432 8.6432 8.6673 8.6673 9.7773 9.7773 9.7835 9.7835 10.9617 10.9617 10.9724 10.9724 12.5827 12.5827 12.6213 12.6213 k = 0.3431 0.5000-0.0000 ( 3484 PWs) bands (ev): 0.6047 0.6047 0.6204 0.6204 0.7024 0.7024 0.7705 0.7705 1.5972 1.5972 1.7672 1.7672 1.9008 1.9008 1.9084 1.9084 2.1387 2.1387 2.2489 2.2489 7.5609 7.5609 7.5822 7.5822 8.6097 8.6097 8.6346 8.6346 9.8748 9.8748 9.8815 9.8815 10.9439 10.9439 10.9541 10.9541 12.6445 12.6445 12.6828 12.6828 k = 0.3529 0.5000-0.0000 ( 3488 PWs) bands (ev): 0.5986 0.5986 0.6147 0.6147 0.6932 0.6932 0.7575 0.7575 1.6108 1.6108 1.7656 1.7656 1.9094 1.9094 1.9115 1.9115 2.1519 2.1519 2.2566 2.2566 7.5986 7.5986 7.6208 7.6208 8.5792 8.5792 8.6049 8.6049 9.9726 9.9726 9.9797 9.9797 10.9303 10.9303 10.9398 10.9398 12.6915 12.6915 12.7288 12.7288 k = 0.3627 0.5000-0.0000 ( 3492 PWs) bands (ev): 0.5930 0.5930 0.6093 0.6093 0.6841 0.6841 0.7447 0.7447 1.6235 1.6235 1.7636 1.7636 1.9148 1.9148 1.9176 1.9176 2.1654 2.1654 2.2641 2.2641 7.6341 7.6341 7.6570 7.6570 8.5519 8.5519 8.5783 8.5783 10.0706 10.0706 10.0780 10.0780 10.9209 10.9209 10.9297 10.9297 12.7234 12.7234 12.7591 12.7591 k = 0.3725 0.5000-0.0000 ( 3488 PWs) bands (ev): 0.5878 0.5878 0.6043 0.6043 0.6754 0.6754 0.7323 0.7323 1.6356 1.6356 1.7614 1.7614 1.9184 1.9184 1.9252 1.9252 2.1790 2.1790 2.2714 2.2714 7.6669 7.6669 7.6904 7.6904 8.5279 8.5279 8.5547 8.5547 10.1683 10.1683 10.1760 10.1760 10.9160 10.9160 10.9238 10.9238 12.7412 12.7412 12.7748 12.7748 k = 0.3824 0.5000-0.0000 ( 3496 PWs) bands (ev): 0.5829 0.5829 0.5996 0.5996 0.6670 0.6670 0.7203 0.7203 1.6467 1.6467 1.7590 1.7590 1.9221 1.9221 1.9320 1.9320 2.1925 2.1925 2.2782 2.2782 7.6970 7.6970 7.7207 7.7207 8.5073 8.5073 8.5343 8.5343 10.2654 10.2654 10.2732 10.2732 10.9154 10.9154 10.9221 10.9221 12.7462 12.7462 12.7773 12.7773 k = 0.3922 0.5000-0.0000 ( 3496 PWs) bands (ev): 0.5787 0.5787 0.5952 0.5952 0.6592 0.6592 0.7088 0.7088 1.6569 1.6569 1.7565 1.7565 1.9258 1.9258 1.9380 1.9380 2.2059 2.2059 2.2848 2.2848 7.7241 7.7241 7.7478 7.7478 8.4901 8.4901 8.5169 8.5169 10.3615 10.3615 10.3690 10.3690 10.9193 10.9193 10.9245 10.9245 12.7404 12.7404 12.7686 12.7686 k = 0.4020 0.5000-0.0000 ( 3496 PWs) bands (ev): 0.5749 0.5749 0.5912 0.5912 0.6519 0.6519 0.6978 0.6978 1.6663 1.6663 1.7540 1.7540 1.9297 1.9297 1.9433 1.9433 2.2190 2.2190 2.2908 2.2908 7.7481 7.7481 7.7714 7.7714 8.4763 8.4763 8.5025 8.5025 10.4561 10.4561 10.4629 10.4629 10.9277 10.9277 10.9308 10.9308 12.7256 12.7256 12.7506 12.7506 k = 0.4118 0.5000-0.0000 ( 3496 PWs) bands (ev): 0.5716 0.5716 0.5876 0.5876 0.6451 0.6451 0.6873 0.6873 1.6749 1.6749 1.7515 1.7515 1.9335 1.9335 1.9478 1.9478 2.2317 2.2317 2.2963 2.2963 7.7690 7.7690 7.7914 7.7914 8.4657 8.4657 8.4909 8.4909 10.5483 10.5483 10.5537 10.5537 10.9406 10.9406 10.9410 10.9410 12.7037 12.7037 12.7252 12.7252 k = 0.4216 0.5000-0.0000 ( 3488 PWs) bands (ev): 0.5690 0.5690 0.5843 0.5843 0.6392 0.6392 0.6776 0.6776 1.6828 1.6828 1.7489 1.7489 1.9373 1.9373 1.9516 1.9516 2.2438 2.2438 2.3011 2.3011 7.7869 7.7869 7.8080 7.8080 8.4581 8.4581 8.4818 8.4818 10.6371 10.6371 10.6402 10.6402 10.9549 10.9549 10.9580 10.9580 12.6764 12.6764 12.6940 12.6940 k = 0.4314 0.5000-0.0000 ( 3488 PWs) bands (ev): 0.5667 0.5667 0.5812 0.5812 0.6340 0.6340 0.6684 0.6684 1.6900 1.6900 1.7463 1.7463 1.9409 1.9409 1.9546 1.9546 2.2551 2.2551 2.3052 2.3052 7.8019 7.8019 7.8214 7.8214 8.4531 8.4531 8.4748 8.4748 10.7204 10.7204 10.7209 10.7209 10.9725 10.9725 10.9805 10.9805 12.6451 12.6451 12.6582 12.6582 k = 0.4412 0.5000-0.0000 ( 3484 PWs) bands (ev): 0.5651 0.5651 0.5784 0.5784 0.6298 0.6298 0.6601 0.6601 1.6965 1.6965 1.7437 1.7437 1.9444 1.9444 1.9570 1.9570 2.2655 2.2655 2.3084 2.3084 7.8143 7.8143 7.8317 7.8317 8.4503 8.4503 8.4697 8.4697 10.7917 10.7917 10.7972 10.7972 10.9945 10.9945 11.0085 11.0085 12.6111 12.6111 12.6193 12.6193 k = 0.4510 0.5000-0.0000 ( 3480 PWs) bands (ev): 0.5640 0.5640 0.5758 0.5758 0.6266 0.6266 0.6524 0.6524 1.7024 1.7024 1.7410 1.7410 1.9476 1.9476 1.9587 1.9587 2.2751 2.2751 2.3107 2.3107 7.8244 7.8244 7.8394 7.8394 8.4492 8.4492 8.4659 8.4659 10.8512 10.8512 10.8622 10.8622 11.0222 11.0222 11.0423 11.0423 12.5755 12.5755 12.5784 12.5784 k = 0.4608 0.5000-0.0000 ( 3480 PWs) bands (ev): 0.5634 0.5634 0.5734 0.5734 0.6244 0.6244 0.6455 0.6455 1.7078 1.7078 1.7381 1.7381 1.9506 1.9506 1.9598 1.9598 2.2837 2.2837 2.3121 2.3121 7.8325 7.8325 7.8447 7.8447 8.4494 8.4494 8.4630 8.4630 10.8972 10.8972 10.9115 10.9115 11.0570 11.0570 11.0804 11.0804 12.5374 12.5374 12.5394 12.5394 k = 0.4706 0.5000-0.0000 ( 3482 PWs) bands (ev): 0.5632 0.5632 0.5711 0.5711 0.6234 0.6234 0.6395 0.6395 1.7127 1.7127 1.7352 1.7352 1.9532 1.9532 1.9603 1.9603 2.2911 2.2911 2.3124 2.3124 7.8387 7.8387 7.8481 7.8481 8.4505 8.4505 8.4609 8.4609 10.9307 10.9307 10.9443 10.9443 11.0963 11.0963 11.1182 11.1182 12.4994 12.4994 12.5046 12.5046 k = 0.4804 0.5000-0.0000 ( 3482 PWs) bands (ev): 0.5636 0.5636 0.5690 0.5690 0.6234 0.6234 0.6344 0.6344 1.7172 1.7172 1.7321 1.7321 1.9555 1.9555 1.9603 1.9603 2.2975 2.2975 2.3117 2.3117 7.8435 7.8435 7.8498 7.8498 8.4520 8.4520 8.4590 8.4590 10.9537 10.9537 10.9638 10.9638 11.1331 11.1331 11.1496 11.1496 12.4684 12.4684 12.4743 12.4743 k = 0.4902 0.5000-0.0000 ( 3474 PWs) bands (ev): 0.5644 0.5644 0.5672 0.5672 0.6246 0.6246 0.6302 0.6302 1.7214 1.7214 1.7288 1.7288 1.9574 1.9574 1.9598 1.9598 2.3029 2.3029 2.3100 2.3100 7.8469 7.8469 7.8501 7.8501 8.4537 8.4537 8.4573 8.4573 10.9680 10.9680 10.9733 10.9733 11.1602 11.1602 11.1689 11.1689 12.4487 12.4487 12.4525 12.4525 k = 0.5000 0.5000-0.0000 ( 3484 PWs) bands (ev): 0.5656 0.5656 0.5656 0.5656 0.6268 0.6268 0.6268 0.6268 1.7252 1.7252 1.7252 1.7252 1.9588 1.9588 1.9588 1.9588 2.3069 2.3069 2.3069 2.3069 7.8491 7.8491 7.8491 7.8491 8.4555 8.4555 8.4555 8.4555 10.9745 10.9745 10.9745 10.9745 11.1728 11.1728 11.1728 11.1728 12.4432 12.4432 12.4432 12.4432 k = 0.5000 0.5000-0.0000 ( 3484 PWs) bands (ev): 0.5656 0.5656 0.5656 0.5656 0.6268 0.6268 0.6268 0.6268 1.7252 1.7252 1.7252 1.7252 1.9588 1.9588 1.9588 1.9588 2.3069 2.3069 2.3069 2.3069 7.8491 7.8491 7.8491 7.8491 8.4555 8.4555 8.4555 8.4555 10.9745 10.9745 10.9745 10.9745 11.1728 11.1728 11.1728 11.1728 12.4432 12.4432 12.4432 12.4432 k = 0.4930 0.4930-0.0000 ( 3478 PWs) bands (ev): 0.5644 0.5644 0.5672 0.5672 0.6245 0.6245 0.6302 0.6302 1.7213 1.7213 1.7288 1.7288 1.9573 1.9573 1.9599 1.9599 2.3028 2.3028 2.3100 2.3100 7.8460 7.8460 7.8510 7.8510 8.4529 8.4529 8.4582 8.4582 10.9655 10.9655 10.9756 10.9756 11.1545 11.1545 11.1743 11.1743 12.4452 12.4452 12.4561 12.4561 k = 0.4859 0.4859-0.0000 ( 3476 PWs) bands (ev): 0.5636 0.5636 0.5691 0.5691 0.6234 0.6234 0.6346 0.6346 1.7172 1.7172 1.7321 1.7321 1.9552 1.9552 1.9606 1.9606 2.2973 2.2973 2.3119 2.3119 7.8382 7.8382 7.8547 7.8547 8.4472 8.4472 8.4640 8.4640 10.9410 10.9410 10.9761 10.9761 11.1068 11.1068 11.1756 11.1756 12.4517 12.4517 12.4872 12.4872 k = 0.4789 0.4789-0.0000 ( 3476 PWs) bands (ev): 0.5631 0.5631 0.5714 0.5714 0.6233 0.6233 0.6399 0.6399 1.7127 1.7127 1.7352 1.7352 1.9523 1.9523 1.9611 1.9611 2.2905 2.2905 2.3129 2.3129 7.8246 7.8246 7.8609 7.8609 8.4386 8.4386 8.4737 8.4737 10.9014 10.9014 10.9712 10.9712 11.0425 11.0425 11.1782 11.1782 12.4612 12.4612 12.5235 12.5235 k = 0.4718 0.4718-0.0000 ( 3480 PWs) bands (ev): 0.5632 0.5632 0.5739 0.5739 0.6241 0.6241 0.6462 0.6462 1.7080 1.7080 1.7379 1.7379 1.9487 1.9487 1.9615 1.9615 2.2823 2.2823 2.3128 2.3128 7.8039 7.8039 7.8693 7.8693 8.4283 8.4283 8.4871 8.4871 10.8485 10.8485 10.9241 10.9241 11.0067 11.0067 11.1821 11.1821 12.4723 12.4723 12.5561 12.5561 k = 0.4648 0.4648-0.0000 ( 3486 PWs) bands (ev): 0.5636 0.5636 0.5767 0.5767 0.6261 0.6261 0.6534 0.6534 1.7030 1.7030 1.7404 1.7404 1.9441 1.9441 1.9618 1.9618 2.2727 2.2727 2.3120 2.3120 7.7750 7.7750 7.8800 7.8800 8.4177 8.4177 8.5042 8.5042 10.7843 10.7843 10.8350 10.8350 11.0066 11.0066 11.1874 11.1874 12.4840 12.4840 12.5844 12.5844 k = 0.4577 0.4577-0.0000 ( 3486 PWs) bands (ev): 0.5647 0.5647 0.5798 0.5798 0.6290 0.6290 0.6616 0.6616 1.6977 1.6977 1.7427 1.7427 1.9387 1.9387 1.9621 1.9621 2.2618 2.2618 2.3104 2.3104 7.7363 7.7363 7.8927 7.8927 8.4084 8.4084 8.5250 8.5250 10.7111 10.7111 10.7375 10.7375 11.0136 11.0136 11.1940 11.1940 12.4956 12.4956 12.6106 12.6106 k = 0.4507 0.4507-0.0000 ( 3488 PWs) bands (ev): 0.5662 0.5662 0.5832 0.5832 0.6329 0.6329 0.6706 0.6706 1.6922 1.6922 1.7446 1.7446 1.9322 1.9322 1.9623 1.9623 2.2493 2.2493 2.3082 2.3082 7.6869 7.6869 7.9073 7.9073 8.4017 8.4017 8.5494 8.5494 10.6308 10.6308 10.6395 10.6395 11.0233 11.0233 11.2017 11.2017 12.5070 12.5070 12.6361 12.6361 k = 0.4437 0.4437-0.0000 ( 3484 PWs) bands (ev): 0.5683 0.5683 0.5870 0.5870 0.6377 0.6377 0.6804 0.6804 1.6864 1.6864 1.7464 1.7464 1.9250 1.9250 1.9626 1.9626 2.2357 2.2357 2.3054 2.3054 7.6260 7.6260 7.9236 7.9236 8.3988 8.3988 8.5774 8.5774 10.5431 10.5431 10.5461 10.5461 11.0348 11.0348 11.2103 11.2103 12.5182 12.5182 12.6619 12.6619 k = 0.4366 0.4366-0.0000 ( 3492 PWs) bands (ev): 0.5710 0.5710 0.5910 0.5910 0.6434 0.6434 0.6908 0.6908 1.6802 1.6802 1.7478 1.7478 1.9167 1.9167 1.9630 1.9630 2.2208 2.2208 2.3020 2.3020 7.5535 7.5535 7.9412 7.9412 8.4001 8.4001 8.6088 8.6088 10.4518 10.4518 10.4568 10.4568 11.0479 11.0479 11.2196 11.2196 12.5293 12.5293 12.6880 12.6880 k = 0.4296 0.4296-0.0000 ( 3488 PWs) bands (ev): 0.5743 0.5743 0.5954 0.5954 0.6499 0.6499 0.7021 0.7021 1.6740 1.6740 1.7490 1.7490 1.9075 1.9075 1.9633 1.9633 2.2048 2.2048 2.2981 2.2981 7.4700 7.4700 7.9598 7.9598 8.4057 8.4057 8.6435 8.6435 10.3652 10.3652 10.3659 10.3659 11.0624 11.0624 11.2293 11.2293 12.5402 12.5402 12.7142 12.7142 k = 0.4225 0.4225-0.0000 ( 3484 PWs) bands (ev): 0.5782 0.5782 0.6001 0.6001 0.6572 0.6572 0.7140 0.7140 1.6675 1.6675 1.7499 1.7499 1.8974 1.8974 1.9638 1.9638 2.1877 2.1877 2.2938 2.2938 7.3763 7.3763 7.9789 7.9789 8.4151 8.4151 8.6814 8.6814 10.2737 10.2737 10.2849 10.2849 11.0782 11.0782 11.2391 11.2391 12.5509 12.5509 12.7403 12.7403 k = 0.4155 0.4155-0.0000 ( 3488 PWs) bands (ev): 0.5826 0.5826 0.6052 0.6052 0.6651 0.6651 0.7264 0.7264 1.6607 1.6607 1.7504 1.7504 1.8863 1.8863 1.9642 1.9642 2.1697 2.1697 2.2890 2.2890 7.2734 7.2734 7.9980 7.9980 8.4279 8.4279 8.7224 8.7224 10.1821 10.1821 10.2105 10.2105 11.0950 11.0950 11.2487 11.2487 12.5614 12.5614 12.7655 12.7655 k = 0.4085 0.4085-0.0000 ( 3482 PWs) bands (ev): 0.5875 0.5875 0.6107 0.6107 0.6738 0.6738 0.7394 0.7394 1.6539 1.6539 1.7506 1.7506 1.8746 1.8746 1.9648 1.9648 2.1509 2.1509 2.2838 2.2838 7.1624 7.1624 8.0164 8.0164 8.4435 8.4435 8.7663 8.7663 10.0922 10.0922 10.1422 10.1422 11.1128 11.1128 11.2578 11.2578 12.5716 12.5716 12.7894 12.7894 k = 0.4014 0.4014-0.0000 ( 3486 PWs) bands (ev): 0.5929 0.5929 0.6166 0.6166 0.6829 0.6829 0.7528 0.7528 1.6469 1.6469 1.7503 1.7503 1.8619 1.8619 1.9654 1.9654 2.1313 2.1313 2.2783 2.2783 7.0447 7.0447 8.0333 8.0333 8.4611 8.4611 8.8131 8.8131 10.0050 10.0050 10.0803 10.0803 11.1314 11.1314 11.2659 11.2659 12.5812 12.5812 12.8109 12.8109 k = 0.3944 0.3944-0.0000 ( 3482 PWs) bands (ev): 0.5988 0.5988 0.6229 0.6229 0.6926 0.6926 0.7667 0.7667 1.6399 1.6399 1.7493 1.7493 1.8488 1.8488 1.9661 1.9661 2.1113 2.1113 2.2724 2.2724 6.9211 6.9211 8.0477 8.0477 8.4800 8.4800 8.8626 8.8626 9.9220 9.9220 10.0247 10.0247 11.1507 11.1507 11.2725 11.2725 12.5900 12.5900 12.8290 12.8290 k = 0.3873 0.3873-0.0000 ( 3470 PWs) bands (ev): 0.6052 0.6052 0.6298 0.6298 0.7028 0.7028 0.7810 0.7810 1.6328 1.6328 1.7475 1.7475 1.8354 1.8354 1.9669 1.9669 2.0910 2.0910 2.2663 2.2663 6.7928 6.7928 8.0586 8.0586 8.4995 8.4995 8.9147 8.9147 9.8443 9.8443 9.9753 9.9753 11.1704 11.1704 11.2772 11.2772 12.5978 12.5978 12.8426 12.8426 k = 0.3803 0.3803-0.0000 ( 3464 PWs) bands (ev): 0.6118 0.6118 0.6370 0.6370 0.7133 0.7133 0.7956 0.7956 1.6257 1.6257 1.7443 1.7443 1.8220 1.8220 1.9678 1.9678 2.0704 2.0704 2.2600 2.2600 6.6607 6.6607 8.0647 8.0647 8.5188 8.5188 8.9692 8.9692 9.7734 9.7734 9.9322 9.9322 11.1903 11.1903 11.2795 11.2795 12.6042 12.6042 12.8501 12.8501 k = 0.3732 0.3732-0.0000 ( 3476 PWs) bands (ev): 0.6186 0.6186 0.6447 0.6447 0.7241 0.7241 0.8101 0.8101 1.6186 1.6186 1.7390 1.7390 1.8094 1.8094 1.9688 1.9688 2.0496 2.0496 2.2534 2.2534 6.5255 6.5255 8.0648 8.0648 8.5371 8.5371 9.0260 9.0260 9.7106 9.7106 9.8954 9.8954 11.2102 11.2102 11.2788 11.2788 12.6088 12.6088 12.8499 12.8499 k = 0.3662 0.3662-0.0000 ( 3476 PWs) bands (ev): 0.6257 0.6257 0.6530 0.6530 0.7352 0.7352 0.8248 0.8248 1.6116 1.6116 1.7311 1.7311 1.7984 1.7984 1.9700 1.9700 2.0290 2.0290 2.2466 2.2466 6.3881 6.3881 8.0576 8.0576 8.5537 8.5537 9.0849 9.0849 9.6572 9.6572 9.8647 9.8647 11.2297 11.2297 11.2747 11.2747 12.6112 12.6112 12.8399 12.8399 k = 0.3592 0.3592-0.0000 ( 3468 PWs) bands (ev): 0.6329 0.6329 0.6618 0.6618 0.7466 0.7466 0.8395 0.8395 1.6049 1.6049 1.7199 1.7199 1.7897 1.7897 1.9713 1.9713 2.0086 2.0086 2.2396 2.2396 6.2491 6.2491 8.0420 8.0420 8.5679 8.5679 9.1458 9.1458 9.6144 9.6144 9.8403 9.8403 11.2486 11.2486 11.2667 11.2667 12.6110 12.6110 12.8187 12.8187 k = 0.3521 0.3521-0.0000 ( 3474 PWs) bands (ev): 0.6402 0.6402 0.6711 0.6711 0.7580 0.7580 0.8540 0.8540 1.5982 1.5982 1.7053 1.7053 1.7831 1.7831 1.9727 1.9727 1.9885 1.9885 2.2325 2.2325 6.1090 6.1090 8.0172 8.0172 8.5788 8.5788 9.2086 9.2086 9.5827 9.5827 9.8220 9.8220 11.2535 11.2535 11.2674 11.2674 12.6076 12.6076 12.7853 12.7853 k = 0.3451 0.3451-0.0000 ( 3490 PWs) bands (ev): 0.6475 0.6475 0.6808 0.6808 0.7695 0.7695 0.8682 0.8682 1.5919 1.5919 1.6880 1.6880 1.7781 1.7781 1.9687 1.9687 1.9742 1.9742 2.2251 2.2251 5.9684 5.9684 7.9829 7.9829 8.5858 8.5858 9.2730 9.2730 9.5625 9.5625 9.8098 9.8098 11.2363 11.2363 11.2840 11.2840 12.6004 12.6004 12.7404 12.7404 k = 0.3380 0.3380-0.0000 ( 3480 PWs) bands (ev): 0.6549 0.6549 0.6911 0.6911 0.7811 0.7811 0.8823 0.8823 1.5861 1.5861 1.6690 1.6690 1.7742 1.7742 1.9499 1.9499 1.9761 1.9761 2.2177 2.2177 5.8277 5.8277 7.9393 7.9393 8.5883 8.5883 9.3389 9.3389 9.5532 9.5532 9.8033 9.8033 11.2138 11.2138 11.2992 11.2992 12.5883 12.5883 12.6867 12.6867 k = 0.3310 0.3310-0.0000 ( 3480 PWs) bands (ev): 0.6623 0.6623 0.7018 0.7018 0.7926 0.7926 0.8959 0.8959 1.5807 1.5807 1.6486 1.6486 1.7707 1.7707 1.9318 1.9318 1.9780 1.9780 2.2102 2.2102 5.6873 5.6873 7.8869 7.8869 8.5859 8.5859 9.4060 9.4060 9.5543 9.5543 9.8023 9.8023 11.1862 11.1862 11.3124 11.3124 12.5687 12.5687 12.6298 12.6298 k = 0.3239 0.3239-0.0000 ( 3474 PWs) bands (ev): 0.6696 0.6696 0.7129 0.7129 0.8040 0.8040 0.9089 0.9089 1.5759 1.5759 1.6275 1.6275 1.7671 1.7671 1.9147 1.9147 1.9801 1.9801 2.2026 2.2026 5.5476 5.5476 7.8267 7.8267 8.5782 8.5782 9.4739 9.4739 9.5646 9.5646 9.8062 9.8062 11.1533 11.1533 11.3230 11.3230 12.5315 12.5315 12.5831 12.5831 k = 0.3169 0.3169-0.0000 ( 3474 PWs) bands (ev): 0.6767 0.6767 0.7241 0.7241 0.8151 0.8151 0.9211 0.9211 1.5717 1.5717 1.6058 1.6058 1.7631 1.7631 1.8987 1.8987 1.9825 1.9825 2.1950 2.1950 5.4088 5.4088 7.7598 7.7598 8.5651 8.5651 9.5408 9.5408 9.5842 9.5842 9.8143 9.8143 11.1154 11.1154 11.3306 11.3306 12.4748 12.4748 12.5520 12.5520 k = 0.3099 0.3099-0.0000 ( 3478 PWs) bands (ev): 0.6838 0.6838 0.7355 0.7355 0.8260 0.8260 0.9326 0.9326 1.5682 1.5682 1.5840 1.5840 1.7585 1.7585 1.8840 1.8840 1.9850 1.9850 2.1873 2.1873 5.2712 5.2712 7.6872 7.6872 8.5464 8.5464 9.5928 9.5928 9.6251 9.6251 9.8261 9.8261 11.0729 11.0729 11.3347 11.3347 12.4138 12.4138 12.5247 12.5247 k = 0.3028 0.3028-0.0000 ( 3476 PWs) bands (ev): 0.6907 0.6907 0.7470 0.7470 0.8365 0.8365 0.9430 0.9430 1.5614 1.5614 1.5665 1.5665 1.7530 1.7530 1.8711 1.8711 1.9878 1.9878 2.1797 2.1797 5.1351 5.1351 7.6102 7.6102 8.5220 8.5220 9.6243 9.6243 9.6910 9.6910 9.8409 9.8409 11.0260 11.0260 11.3348 11.3348 12.3557 12.3557 12.4969 12.4969 k = 0.2958 0.2958-0.0000 ( 3472 PWs) bands (ev): 0.6974 0.6974 0.7585 0.7585 0.8465 0.8465 0.9525 0.9525 1.5406 1.5406 1.5641 1.5641 1.7465 1.7465 1.8598 1.8598 1.9908 1.9908 2.1722 2.1722 5.0007 5.0007 7.5297 7.5297 8.4921 8.4921 9.6541 9.6541 9.7607 9.7607 9.8583 9.8583 10.9755 10.9755 11.3305 11.3305 12.3034 12.3034 12.4687 12.4687 k = 0.2887 0.2887-0.0000 ( 3468 PWs) bands (ev): 0.7038 0.7038 0.7698 0.7698 0.8561 0.8561 0.9608 0.9608 1.5199 1.5199 1.5632 1.5632 1.7390 1.7390 1.8504 1.8504 1.9941 1.9941 2.1646 2.1646 4.8682 4.8682 7.4465 7.4465 8.4568 8.4568 9.6839 9.6839 9.8287 9.8287 9.8795 9.8795 10.9220 10.9220 11.3214 11.3214 12.2585 12.2585 12.4409 12.4409 k = 0.2817 0.2817-0.0000 ( 3466 PWs) bands (ev): 0.7099 0.7099 0.7808 0.7808 0.8651 0.8651 0.9678 0.9678 1.5001 1.5001 1.5632 1.5632 1.7305 1.7305 1.8427 1.8427 1.9975 1.9975 2.1572 2.1572 4.7378 4.7378 7.3615 7.3615 8.4161 8.4161 9.7126 9.7126 9.8795 9.8795 9.9185 9.9185 10.8663 10.8663 11.3072 11.3072 12.2222 12.2222 12.4149 12.4149 k = 0.2746 0.2746-0.0000 ( 3471 PWs) bands (ev): 0.7156 0.7156 0.7913 0.7913 0.8734 0.8734 0.9735 0.9735 1.4815 1.4815 1.5639 1.5639 1.7215 1.7215 1.8365 1.8365 2.0011 2.0011 2.1498 2.1498 4.6095 4.6095 7.2751 7.2751 8.3702 8.3702 9.7391 9.7391 9.9048 9.9048 9.9824 9.9824 10.8096 10.8096 11.2877 11.2877 12.1948 12.1948 12.3921 12.3921 k = 0.2676 0.2676-0.0000 ( 3475 PWs) bands (ev): 0.7208 0.7208 0.8014 0.8014 0.8810 0.8810 0.9778 0.9778 1.4642 1.4642 1.5654 1.5654 1.7123 1.7123 1.8315 1.8315 2.0048 2.0048 2.1427 2.1427 4.4836 4.4836 7.1879 7.1879 8.3193 8.3193 9.7620 9.7620 9.9250 9.9250 10.0495 10.0495 10.7533 10.7533 11.2630 11.2630 12.1767 12.1767 12.3740 12.3740 k = 0.2606 0.2606-0.0000 ( 3473 PWs) bands (ev): 0.7254 0.7254 0.8108 0.8108 0.8880 0.8880 0.9807 0.9807 1.4487 1.4487 1.5673 1.5673 1.7035 1.7035 1.8275 1.8275 2.0087 2.0087 2.1359 2.1359 4.3602 4.3602 7.1004 7.1004 8.2636 8.2636 9.7804 9.7804 9.9441 9.9441 10.1136 10.1136 10.6996 10.6996 11.2330 11.2330 12.1674 12.1674 12.3617 12.3617 k = 0.2535 0.2535-0.0000 ( 3477 PWs) bands (ev): 0.7294 0.7294 0.8192 0.8192 0.8941 0.8941 0.9824 0.9824 1.4351 1.4351 1.5694 1.5694 1.6954 1.6954 1.8243 1.8243 2.0125 2.0125 2.1294 2.1294 4.2394 4.2394 7.0129 7.0129 8.2033 8.2033 9.7933 9.7933 9.9628 9.9628 10.1705 10.1705 10.6525 10.6525 11.1982 11.1982 12.1663 12.1663 12.3563 12.3563 k = 0.2465 0.2465-0.0000 ( 3481 PWs) bands (ev): 0.7325 0.7325 0.8267 0.8267 0.8994 0.8994 0.9829 0.9829 1.4236 1.4236 1.5712 1.5712 1.6889 1.6889 1.8216 1.8216 2.0163 2.0163 2.1234 2.1234 4.1213 4.1213 6.9258 6.9258 8.1389 8.1389 9.8001 9.8001 9.9816 9.9816 10.2137 10.2137 10.6187 10.6187 11.1589 11.1589 12.1725 12.1725 12.3583 12.3583 k = 0.2394 0.2394-0.0000 ( 3485 PWs) bands (ev): 0.7347 0.7347 0.8330 0.8330 0.9040 0.9040 0.9823 0.9823 1.4145 1.4145 1.5722 1.5722 1.6842 1.6842 1.8193 1.8193 2.0199 2.0199 2.1180 2.1180 4.0060 4.0060 6.8392 6.8392 8.0706 8.0706 9.8002 9.8002 10.0007 10.0007 10.2339 10.2339 10.6078 10.6078 11.1155 11.1155 12.1845 12.1845 12.3678 12.3678 k = 0.2324 0.2324-0.0000 ( 3481 PWs) bands (ev): 0.7358 0.7358 0.8381 0.8381 0.9079 0.9079 0.9808 0.9808 1.4079 1.4079 1.5722 1.5722 1.6821 1.6821 1.8173 1.8173 2.0232 2.0232 2.1133 2.1133 3.8937 3.8937 6.7535 6.7535 7.9989 7.9989 9.7937 9.7937 10.0206 10.0206 10.2253 10.2253 10.6255 10.6255 11.0686 11.0686 12.2009 12.2009 12.3846 12.3846 k = 0.2254 0.2254-0.0000 ( 3477 PWs) bands (ev): 0.7357 0.7357 0.8419 0.8419 0.9110 0.9110 0.9787 0.9787 1.4039 1.4039 1.5706 1.5706 1.6826 1.6826 1.8156 1.8156 2.0258 2.0258 2.1098 2.1098 3.7844 3.7844 6.6688 6.6688 7.9242 7.9242 9.7806 9.7806 10.0414 10.0414 10.1930 10.1930 10.6673 10.6673 11.0187 11.0187 12.2196 12.2196 12.4074 12.4074 k = 0.2183 0.2183-0.0000 ( 3481 PWs) bands (ev): 0.7343 0.7343 0.8441 0.8441 0.9133 0.9133 0.9762 0.9762 1.4023 1.4023 1.5676 1.5676 1.6856 1.6856 1.8140 1.8140 2.0275 2.0275 2.1074 2.1074 3.6781 3.6781 6.5853 6.5853 7.8469 7.8469 9.7614 9.7614 10.0625 10.0625 10.1473 10.1473 10.7238 10.7238 10.9666 10.9666 12.2388 12.2388 12.4347 12.4347 k = 0.2113 0.2113-0.0000 ( 3477 PWs) bands (ev): 0.7315 0.7315 0.8448 0.8448 0.9150 0.9150 0.9738 0.9738 1.4033 1.4033 1.5636 1.5636 1.6908 1.6908 1.8125 1.8125 2.0282 2.0282 2.1066 2.1066 3.5751 3.5751 6.5031 6.5031 7.7676 7.7676 9.7365 9.7365 10.0721 10.0721 10.1072 10.1072 10.7877 10.7877 10.9133 10.9133 12.2562 12.2562 12.4641 12.4641 k = 0.2042 0.2042-0.0000 ( 3475 PWs) bands (ev): 0.7272 0.7272 0.8439 0.8439 0.9161 0.9161 0.9714 0.9714 1.4066 1.4066 1.5587 1.5587 1.6975 1.6975 1.8113 1.8113 2.0276 2.0276 2.1072 2.1072 3.4753 3.4753 6.4224 6.4224 7.6866 7.6866 9.7068 9.7068 10.0259 10.0259 10.1211 10.1211 10.8424 10.8424 10.8723 10.8723 12.2701 12.2701 12.4926 12.4926 k = 0.1972 0.1972-0.0000 ( 3477 PWs) bands (ev): 0.7215 0.7215 0.8412 0.8412 0.9167 0.9167 0.9695 0.9695 1.4122 1.4122 1.5535 1.5535 1.7052 1.7052 1.8103 1.8103 2.0259 2.0259 2.1094 2.1094 3.3790 3.3790 6.3432 6.3432 7.6046 7.6046 9.6729 9.6729 9.9668 9.9668 10.1485 10.1485 10.7979 10.7979 10.9319 10.9319 12.2789 12.2789 12.5174 12.5174 k = 0.1901 0.1901-0.0000 ( 3481 PWs) bands (ev): 0.7145 0.7145 0.8368 0.8368 0.9171 0.9171 0.9680 0.9680 1.4196 1.4196 1.5482 1.5482 1.7133 1.7133 1.8099 1.8099 2.0231 2.0231 2.1128 2.1128 3.2860 3.2860 6.2658 6.2658 7.5219 7.5219 9.6358 9.6358 9.9060 9.9060 10.1794 10.1794 10.7420 10.7420 11.0037 11.0037 12.2819 12.2819 12.5359 12.5359 k = 0.1831 0.1831-0.0000 ( 3493 PWs) bands (ev): 0.7061 0.7061 0.8308 0.8308 0.9175 0.9175 0.9668 0.9668 1.4288 1.4288 1.5430 1.5430 1.7210 1.7210 1.8101 1.8101 2.0195 2.0195 2.1172 2.1172 3.1965 3.1965 6.1903 6.1903 7.4390 7.4390 9.5960 9.5960 9.8452 9.8452 10.2130 10.2130 10.6855 10.6855 11.0764 11.0764 12.2788 12.2788 12.5470 12.5470 k = 0.1761 0.1761-0.0000 ( 3489 PWs) bands (ev): 0.6967 0.6967 0.8233 0.8233 0.9181 0.9181 0.9660 0.9660 1.4396 1.4396 1.5382 1.5382 1.7279 1.7279 1.8115 1.8115 2.0155 2.0155 2.1224 2.1224 3.1107 3.1107 6.1166 6.1166 7.3563 7.3563 9.5544 9.5544 9.7849 9.7849 10.2493 10.2493 10.6292 10.6292 11.1492 11.1492 12.2700 12.2700 12.5509 12.5509 k = 0.1690 0.1690-0.0000 ( 3489 PWs) bands (ev): 0.6864 0.6864 0.8145 0.8145 0.9190 0.9190 0.9652 0.9652 1.4517 1.4517 1.5337 1.5337 1.7332 1.7332 1.8143 1.8143 2.0112 2.0112 2.1282 2.1282 3.0285 3.0285 6.0450 6.0450 7.2741 7.2741 9.5115 9.5115 9.7257 9.7257 10.2881 10.2881 10.5736 10.5736 11.2216 11.2216 12.2563 12.2563 12.5486 12.5486 k = 0.1620 0.1620-0.0000 ( 3493 PWs) bands (ev): 0.6753 0.6753 0.8046 0.8046 0.9201 0.9201 0.9643 0.9643 1.4648 1.4648 1.5297 1.5297 1.7366 1.7366 1.8186 1.8186 2.0066 2.0066 2.1344 2.1344 2.9502 2.9502 5.9755 5.9755 7.1930 7.1930 9.4680 9.4680 9.6679 9.6679 10.3293 10.3293 10.5188 10.5188 11.2932 11.2932 12.2385 12.2385 12.5415 12.5415 k = 0.1549 0.1549-0.0000 ( 3493 PWs) bands (ev): 0.6638 0.6638 0.7939 0.7939 0.9215 0.9215 0.9634 0.9634 1.4788 1.4788 1.5263 1.5263 1.7380 1.7380 1.8247 1.8247 2.0020 2.0020 2.1406 2.1406 2.8756 2.8756 5.9083 5.9083 7.1131 7.1131 9.4244 9.4244 9.6115 9.6115 10.3730 10.3730 10.4652 10.4652 11.3637 11.3637 12.2177 12.2177 12.5309 12.5309 k = 0.1479 0.1479-0.0000 ( 3489 PWs) bands (ev): 0.6518 0.6518 0.7827 0.7827 0.9231 0.9231 0.9625 0.9625 1.4934 1.4934 1.5235 1.5235 1.7374 1.7374 1.8322 1.8322 1.9975 1.9975 2.1470 2.1470 2.8050 2.8050 5.8433 5.8433 7.0348 7.0348 9.3810 9.3810 9.5570 9.5570 10.4125 10.4125 10.4194 10.4194 11.4329 11.4329 12.1947 12.1947 12.5179 12.5179 k = 0.1408 0.1408-0.0000 ( 3481 PWs) bands (ev): 0.6397 0.6397 0.7711 0.7711 0.9247 0.9247 0.9614 0.9614 1.5077 1.5077 1.5218 1.5218 1.7353 1.7353 1.8407 1.8407 1.9931 1.9931 2.1533 2.1533 2.7385 2.7385 5.7807 5.7807 6.9584 6.9584 9.3384 9.3384 9.5043 9.5043 10.3622 10.3622 10.4670 10.4670 11.5005 11.5005 12.1703 12.1703 12.5033 12.5033 k = 0.1338 0.1338-0.0000 ( 3477 PWs) bands (ev): 0.6275 0.6275 0.7593 0.7593 0.9264 0.9264 0.9601 0.9601 1.5159 1.5159 1.5269 1.5269 1.7319 1.7319 1.8497 1.8497 1.9888 1.9888 2.1593 2.1593 2.6761 2.6761 5.7205 5.7205 6.8841 6.8841 9.2967 9.2967 9.4536 9.4536 10.3133 10.3133 10.5169 10.5169 11.5662 11.5662 12.1452 12.1452 12.4877 12.4877 k = 0.1268 0.1268-0.0000 ( 3483 PWs) bands (ev): 0.6153 0.6153 0.7474 0.7474 0.9280 0.9280 0.9585 0.9585 1.5156 1.5156 1.5407 1.5407 1.7276 1.7276 1.8587 1.8587 1.9847 1.9847 2.1649 2.1649 2.6180 2.6180 5.6629 5.6629 6.8123 6.8123 9.2562 9.2562 9.4050 9.4050 10.2662 10.2662 10.5685 10.5685 11.6297 11.6297 12.1201 12.1201 12.4717 12.4717 k = 0.1197 0.1197-0.0000 ( 3487 PWs) bands (ev): 0.6034 0.6034 0.7356 0.7356 0.9295 0.9295 0.9568 0.9568 1.5145 1.5145 1.5554 1.5554 1.7228 1.7228 1.8678 1.8678 1.9809 1.9809 2.1699 2.1699 2.5642 2.5642 5.6080 5.6080 6.7431 6.7431 9.2173 9.2173 9.3587 9.3587 10.2212 10.2212 10.6216 10.6216 11.6906 11.6906 12.0956 12.0956 12.4555 12.4555 k = 0.1127 0.1127-0.0000 ( 3487 PWs) bands (ev): 0.5917 0.5917 0.7240 0.7240 0.9310 0.9310 0.9550 0.9550 1.5138 1.5138 1.5697 1.5697 1.7178 1.7178 1.8766 1.8766 1.9773 1.9773 2.1741 2.1741 2.5151 2.5151 5.5557 5.5557 6.6768 6.6768 9.1800 9.1800 9.3146 9.3146 10.1782 10.1782 10.6759 10.6759 11.7483 11.7483 12.0726 12.0726 12.4395 12.4395 k = 0.1056 0.1056-0.0000 ( 3485 PWs) bands (ev): 0.5804 0.5804 0.7127 0.7127 0.9323 0.9323 0.9532 0.9532 1.5132 1.5132 1.5829 1.5829 1.7132 1.7132 1.8850 1.8850 1.9741 1.9741 2.1772 2.1772 2.4708 2.4708 5.5061 5.5061 6.6135 6.6135 9.1446 9.1446 9.2730 9.2730 10.1374 10.1374 10.7311 10.7311 11.8019 11.8019 12.0522 12.0522 12.4239 12.4239 k = 0.0986 0.0986-0.0000 ( 3489 PWs) bands (ev): 0.5695 0.5695 0.7017 0.7017 0.9333 0.9333 0.9514 0.9514 1.5129 1.5129 1.5944 1.5944 1.7095 1.7095 1.8927 1.8927 1.9711 1.9711 2.1788 2.1788 2.4316 2.4316 5.4595 5.4595 6.5534 6.5534 9.1110 9.1110 9.2337 9.2337 10.0990 10.0990 10.7866 10.7866 11.8493 11.8493 12.0364 12.0364 12.4089 12.4089 k = 0.0915 0.0915-0.0000 ( 3485 PWs) bands (ev): 0.5592 0.5592 0.6913 0.6913 0.9343 0.9343 0.9496 0.9496 1.5128 1.5128 1.6034 1.6034 1.7078 1.7078 1.8997 1.8997 1.9685 1.9685 2.1786 2.1786 2.3978 2.3978 5.4157 5.4157 6.4967 6.4967 9.0796 9.0796 9.1970 9.1970 10.0629 10.0629 10.8422 10.8422 11.8867 11.8867 12.0295 12.0295 12.3945 12.3945 k = 0.0845 0.0845-0.0000 ( 3489 PWs) bands (ev): 0.5495 0.5495 0.6813 0.6813 0.9349 0.9349 0.9478 0.9478 1.5129 1.5129 1.6092 1.6092 1.7086 1.7086 1.9059 1.9059 1.9662 1.9662 2.1760 2.1760 2.3699 2.3699 5.3749 5.3749 6.4436 6.4436 9.0503 9.0503 9.1628 9.1628 10.0293 10.0293 10.8974 10.8974 11.9077 11.9077 12.0375 12.0375 12.3810 12.3810 k = 0.0775 0.0775-0.0000 ( 3491 PWs) bands (ev): 0.5403 0.5403 0.6720 0.6720 0.9353 0.9353 0.9463 0.9463 1.5132 1.5132 1.6113 1.6113 1.7124 1.7124 1.9113 1.9113 1.9642 1.9642 2.1706 2.1706 2.3478 2.3478 5.3371 5.3371 6.3942 6.3942 9.0232 9.0232 9.1311 9.1311 9.9981 9.9981 10.9515 10.9515 11.9118 11.9118 12.0611 12.0611 12.3685 12.3685 k = 0.0704 0.0704-0.0000 ( 3495 PWs) bands (ev): 0.5318 0.5318 0.6632 0.6632 0.9354 0.9354 0.9450 0.9450 1.5136 1.5136 1.6102 1.6102 1.7189 1.7189 1.9156 1.9156 1.9627 1.9627 2.1627 2.1627 2.3316 2.3316 5.3024 5.3024 6.3486 6.3486 8.9983 8.9983 9.1021 9.1021 9.9695 9.9695 11.0040 11.0040 11.9068 11.9068 12.0926 12.0926 12.3570 12.3570 k = 0.0634 0.0634-0.0000 ( 3489 PWs) bands (ev): 0.5241 0.5241 0.6552 0.6552 0.9352 0.9352 0.9441 0.9441 1.5141 1.5141 1.6067 1.6067 1.7274 1.7274 1.9191 1.9191 1.9615 1.9615 2.1528 2.1528 2.3204 2.3204 5.2708 5.2708 6.3070 6.3070 8.9757 8.9757 9.0758 9.0758 9.9435 9.9435 11.0541 11.0541 11.8990 11.8990 12.1256 12.1256 12.3467 12.3467 k = 0.0563 0.0563-0.0000 ( 3485 PWs) bands (ev): 0.5171 0.5171 0.6479 0.6479 0.9346 0.9346 0.9435 0.9435 1.5147 1.5147 1.6018 1.6018 1.7369 1.7369 1.9215 1.9215 1.9607 1.9607 2.1417 2.1417 2.3133 2.3133 5.2425 5.2425 6.2694 6.2694 8.9555 8.9555 9.0522 9.0522 9.9202 9.9202 11.1012 11.1012 11.8912 11.8912 12.1571 12.1571 12.3378 12.3378 k = 0.0493 0.0493-0.0000 ( 3477 PWs) bands (ev): 0.5108 0.5108 0.6414 0.6414 0.9338 0.9338 0.9432 0.9432 1.5154 1.5154 1.5963 1.5963 1.7468 1.7468 1.9231 1.9231 1.9601 1.9601 2.1305 2.1305 2.3090 2.3090 5.2173 5.2173 6.2360 6.2360 8.9376 8.9376 9.0312 9.0312 9.8995 9.8995 11.1445 11.1445 11.8846 11.8846 12.1857 12.1857 12.3303 12.3303 k = 0.0423 0.0423-0.0000 ( 3469 PWs) bands (ev): 0.5054 0.5054 0.6357 0.6357 0.9330 0.9330 0.9431 0.9431 1.5160 1.5160 1.5906 1.5906 1.7565 1.7565 1.9238 1.9238 1.9598 1.9598 2.1198 2.1198 2.3067 2.3067 5.1955 5.1955 6.2069 6.2069 8.9221 8.9221 9.0131 9.0131 9.8815 9.8815 11.1833 11.1833 11.8798 11.8798 12.2103 12.2103 12.3246 12.3246 k = 0.0352 0.0352-0.0000 ( 3473 PWs) bands (ev): 0.5008 0.5008 0.6308 0.6308 0.9320 0.9320 0.9429 0.9429 1.5164 1.5164 1.5853 1.5853 1.7654 1.7654 1.9237 1.9237 1.9595 1.9595 2.1104 2.1104 2.3055 2.3055 5.1769 5.1769 6.1821 6.1821 8.9089 8.9089 8.9977 8.9977 9.8662 9.8662 11.2170 11.2170 11.8768 11.8768 12.2304 12.2304 12.3210 12.3210 k = 0.0282 0.0282-0.0000 ( 3473 PWs) bands (ev): 0.4969 0.4969 0.6268 0.6268 0.9312 0.9312 0.9428 0.9428 1.5169 1.5169 1.5806 1.5806 1.7734 1.7734 1.9231 1.9231 1.9593 1.9593 2.1025 2.1025 2.3051 2.3051 5.1617 5.1617 6.1618 6.1618 8.8981 8.8981 8.9850 8.9850 9.8537 9.8537 11.2451 11.2451 11.8753 11.8753 12.2455 12.2455 12.3197 12.3197 k = 0.0211 0.0211-0.0000 ( 3471 PWs) bands (ev): 0.4939 0.4939 0.6237 0.6237 0.9306 0.9306 0.9428 0.9428 1.5172 1.5172 1.5767 1.5767 1.7801 1.7801 1.9224 1.9224 1.9591 1.9591 2.0963 2.0963 2.3050 2.3050 5.1498 5.1498 6.1458 6.1458 8.8898 8.8898 8.9752 8.9752 9.8440 9.8440 11.2671 11.2671 11.8751 11.8751 12.2555 12.2555 12.3205 12.3205 k = 0.0141 0.0141-0.0000 ( 3473 PWs) bands (ev): 0.4918 0.4918 0.6214 0.6214 0.9301 0.9301 0.9428 0.9428 1.5175 1.5175 1.5738 1.5738 1.7852 1.7852 1.9215 1.9215 1.9588 1.9588 2.0918 2.0918 2.3051 2.3051 5.1413 5.1413 6.1345 6.1345 8.8838 8.8838 8.9682 8.9682 9.8370 9.8370 11.2829 11.2829 11.8754 11.8754 12.2613 12.2613 12.3226 12.3226 k = 0.0070 0.0070-0.0000 ( 3477 PWs) bands (ev): 0.4905 0.4905 0.6200 0.6200 0.9297 0.9297 0.9427 0.9427 1.5176 1.5176 1.5720 1.5720 1.7882 1.7882 1.9210 1.9210 1.9587 1.9587 2.0891 2.0891 2.3052 2.3052 5.1362 5.1362 6.1276 6.1276 8.8802 8.8802 8.9639 8.9639 9.8328 9.8328 11.2924 11.2924 11.8758 11.8758 12.2640 12.2640 12.3245 12.3245 k = 0.0000 0.0000 0.0000 ( 3485 PWs) bands (ev): 0.4901 0.4901 0.6196 0.6196 0.9296 0.9296 0.9426 0.9426 1.5176 1.5176 1.5714 1.5714 1.7893 1.7893 1.9206 1.9206 1.9587 1.9587 2.0883 2.0883 2.3052 2.3052 5.1345 5.1345 6.1253 6.1253 8.8790 8.8790 8.9625 8.9625 9.8314 9.8314 11.2956 11.2956 11.8760 11.8760 12.2648 12.2648 12.3253 12.3253 k = 0.0000 0.0000 0.0000 ( 3485 PWs) bands (ev): 0.4901 0.4901 0.6196 0.6196 0.9296 0.9296 0.9426 0.9426 1.5176 1.5176 1.5714 1.5714 1.7893 1.7893 1.9206 1.9206 1.9587 1.9587 2.0883 2.0883 2.3052 2.3052 5.1345 5.1345 6.1253 6.1253 8.8790 8.8790 8.9625 8.9625 9.8314 9.8314 11.2956 11.2956 11.8760 11.8760 12.2648 12.2648 12.3253 12.3253 k = 0.0000 0.0000 0.0100 ( 3469 PWs) bands (ev): 0.4902 0.4902 0.6196 0.6196 0.9297 0.9297 0.9427 0.9427 1.5177 1.5177 1.5716 1.5716 1.7893 1.7893 1.9208 1.9208 1.9588 1.9588 2.0888 2.0888 2.3053 2.3053 5.1240 5.1240 6.1384 6.1384 8.8779 8.8779 8.9625 8.9625 9.8314 9.8314 11.2954 11.2954 11.8710 11.8710 12.2653 12.2653 12.3261 12.3261 k = 0.0000 0.0000 0.0199 ( 3477 PWs) bands (ev): 0.4901 0.4901 0.6196 0.6196 0.9296 0.9296 0.9427 0.9427 1.5177 1.5177 1.5719 1.5719 1.7893 1.7893 1.9207 1.9207 1.9587 1.9587 2.0905 2.0905 2.3052 2.3052 5.0942 5.0942 6.1758 6.1758 8.8748 8.8748 8.9626 8.9626 9.8313 9.8313 11.2949 11.2949 11.8562 11.8562 12.2667 12.2667 12.3284 12.3284 k = 0.0000 0.0000 0.0299 ( 3469 PWs) bands (ev): 0.4901 0.4901 0.6197 0.6197 0.9297 0.9297 0.9428 0.9428 1.5178 1.5178 1.5725 1.5725 1.7894 1.7894 1.9207 1.9207 1.9587 1.9587 2.0933 2.0933 2.3052 2.3052 5.0492 5.0492 6.2334 6.2334 8.8695 8.8695 8.9627 8.9627 9.8312 9.8312 11.2940 11.2940 11.8320 11.8320 12.2693 12.2693 12.3322 12.3322 k = 0.0000 0.0000 0.0399 ( 3473 PWs) bands (ev): 0.4901 0.4901 0.6198 0.6198 0.9297 0.9297 0.9427 0.9427 1.5178 1.5178 1.5732 1.5732 1.7894 1.7894 1.9207 1.9207 1.9587 1.9587 2.0971 2.0971 2.3052 2.3052 4.9938 4.9938 6.3062 6.3062 8.8621 8.8621 8.9629 8.9629 9.8311 9.8311 11.2924 11.2924 11.7993 11.7993 12.2731 12.2731 12.3373 12.3373 k = 0.0000 0.0000 0.0498 ( 3477 PWs) bands (ev): 0.4901 0.4901 0.6199 0.6199 0.9296 0.9296 0.9426 0.9426 1.5177 1.5177 1.5741 1.5741 1.7894 1.7894 1.9206 1.9206 1.9586 1.9586 2.1018 2.1018 2.3051 2.3051 4.9323 4.9323 6.3899 6.3899 8.8525 8.8525 8.9630 8.9630 9.8309 9.8309 11.2900 11.2900 11.7593 11.7593 12.2783 12.2783 12.3438 12.3438 k = 0.0000 0.0000 0.0598 ( 3481 PWs) bands (ev): 0.4901 0.4901 0.6200 0.6200 0.9296 0.9296 0.9426 0.9426 1.5177 1.5177 1.5752 1.5752 1.7893 1.7893 1.9206 1.9206 1.9586 1.9586 2.1074 2.1074 2.3051 2.3051 4.8679 4.8679 6.4808 6.4808 8.8407 8.8407 8.9632 8.9632 9.8307 9.8307 11.2864 11.2864 11.7138 11.7138 12.2847 12.2847 12.3514 12.3514 k = 0.0000 0.0000 0.0698 ( 3481 PWs) bands (ev): 0.4902 0.4902 0.6202 0.6202 0.9296 0.9296 0.9425 0.9425 1.5177 1.5177 1.5763 1.5763 1.7893 1.7893 1.9206 1.9206 1.9586 1.9586 2.1138 2.1138 2.3050 2.3050 4.8030 4.8030 6.5763 6.5763 8.8266 8.8266 8.9635 8.9635 9.8305 9.8305 11.2809 11.2809 11.6648 11.6648 12.2924 12.2924 12.3599 12.3599 k = 0.0000 0.0000 0.0797 ( 3481 PWs) bands (ev): 0.4902 0.4902 0.6204 0.6204 0.9296 0.9296 0.9425 0.9425 1.5177 1.5177 1.5775 1.5775 1.7893 1.7893 1.9205 1.9205 1.9586 1.9586 2.1207 2.1207 2.3050 2.3050 4.7396 4.7396 6.6741 6.6741 8.8103 8.8103 8.9637 8.9637 9.8302 9.8302 11.2728 11.2728 11.6148 11.6148 12.3011 12.3011 12.3692 12.3692 k = 0.0000 0.0000 0.0897 ( 3485 PWs) bands (ev): 0.4902 0.4902 0.6206 0.6206 0.9296 0.9296 0.9424 0.9424 1.5177 1.5177 1.5787 1.5787 1.7893 1.7893 1.9205 1.9205 1.9586 1.9586 2.1279 2.1279 2.3050 2.3050 4.6788 4.6788 6.7722 6.7722 8.7918 8.7918 8.9640 8.9640 9.8300 9.8300 11.2610 11.2610 11.5667 11.5667 12.3105 12.3105 12.3791 12.3791 k = 0.0000 0.0000 0.0997 ( 3485 PWs) bands (ev): 0.4902 0.4902 0.6208 0.6208 0.9296 0.9296 0.9424 0.9424 1.5177 1.5177 1.5799 1.5799 1.7893 1.7893 1.9205 1.9205 1.9585 1.9585 2.1353 2.1353 2.3049 2.3049 4.6220 4.6220 6.8688 6.8688 8.7713 8.7713 8.9642 8.9642 9.8298 9.8298 11.2444 11.2444 11.5234 11.5234 12.3204 12.3204 12.3891 12.3891 k = 0.0000 0.0000 0.1097 ( 3477 PWs) bands (ev): 0.4903 0.4903 0.6210 0.6210 0.9296 0.9296 0.9423 0.9423 1.5177 1.5177 1.5810 1.5810 1.7893 1.7893 1.9205 1.9205 1.9587 1.9587 2.1427 2.1427 2.3050 2.3050 4.5698 4.5698 6.9621 6.9621 8.7491 8.7491 8.9645 8.9645 9.8295 9.8295 11.2222 11.2222 11.4875 11.4875 12.3303 12.3303 12.3991 12.3991 k = 0.0000 0.0000 0.1196 ( 3485 PWs) bands (ev): 0.4903 0.4903 0.6212 0.6212 0.9294 0.9294 0.9422 0.9422 1.5176 1.5176 1.5820 1.5820 1.7893 1.7893 1.9205 1.9205 1.9586 1.9586 2.1498 2.1498 2.3050 2.3050 4.5232 4.5232 7.0501 7.0501 8.7259 8.7259 8.9647 8.9647 9.8293 9.8293 11.1952 11.1952 11.4601 11.4601 12.3400 12.3400 12.4087 12.4087 k = 0.0000 0.0000 0.1296 ( 3481 PWs) bands (ev): 0.4903 0.4903 0.6214 0.6214 0.9295 0.9295 0.9422 0.9422 1.5177 1.5177 1.5829 1.5829 1.7893 1.7893 1.9205 1.9205 1.9587 1.9587 2.1563 2.1563 2.3050 2.3050 4.4826 4.4826 7.1308 7.1308 8.7024 8.7024 8.9649 8.9649 9.8291 9.8291 11.1655 11.1655 11.4406 11.4406 12.3491 12.3491 12.4175 12.4175 k = 0.0000 0.0000 0.1396 ( 3489 PWs) bands (ev): 0.4903 0.4903 0.6214 0.6214 0.9295 0.9295 0.9422 0.9422 1.5177 1.5177 1.5837 1.5837 1.7894 1.7894 1.9203 1.9203 1.9586 1.9586 2.1620 2.1620 2.3049 2.3049 4.4487 4.4487 7.2020 7.2020 8.6798 8.6798 8.9651 8.9651 9.8289 9.8289 11.1362 11.1362 11.4273 11.4273 12.3572 12.3572 12.4253 12.4253 k = 0.0000 0.0000 0.1495 ( 3478 PWs) bands (ev): 0.4903 0.4903 0.6219 0.6219 0.9294 0.9294 0.9421 0.9421 1.5177 1.5177 1.5843 1.5843 1.7894 1.7894 1.9205 1.9205 1.9586 1.9586 2.1667 2.1667 2.3050 2.3050 4.4218 4.4218 7.2610 7.2610 8.6596 8.6596 8.9652 8.9652 9.8288 9.8288 11.1104 11.1104 11.4187 11.4187 12.3639 12.3639 12.4318 12.4318 k = 0.0000 0.0000 0.1595 ( 3478 PWs) bands (ev): 0.4903 0.4903 0.6220 0.6220 0.9294 0.9294 0.9421 0.9421 1.5177 1.5177 1.5848 1.5848 1.7893 1.7893 1.9205 1.9205 1.9586 1.9586 2.1702 2.1702 2.3049 2.3049 4.4024 4.4024 7.3056 7.3056 8.6434 8.6434 8.9653 8.9653 9.8287 9.8287 11.0903 11.0903 11.4134 11.4134 12.3689 12.3689 12.4366 12.4366 k = 0.0000 0.0000 0.1695 ( 3486 PWs) bands (ev): 0.4903 0.4903 0.6219 0.6219 0.9294 0.9294 0.9421 0.9421 1.5176 1.5176 1.5850 1.5850 1.7893 1.7893 1.9204 1.9204 1.9586 1.9586 2.1724 2.1724 2.3049 2.3049 4.3906 4.3906 7.3334 7.3334 8.6328 8.6328 8.9654 8.9654 9.8286 9.8286 11.0776 11.0776 11.4104 11.4104 12.3721 12.3721 12.4396 12.4396 k = 0.0000 0.0000 0.1794 ( 3486 PWs) bands (ev): 0.4903 0.4903 0.6219 0.6219 0.9294 0.9294 0.9421 0.9421 1.5176 1.5176 1.5851 1.5851 1.7893 1.7893 1.9204 1.9204 1.9586 1.9586 2.1731 2.1731 2.3049 2.3049 4.3867 4.3867 7.3428 7.3428 8.6292 8.6292 8.9654 8.9654 9.8286 9.8286 11.0733 11.0733 11.4095 11.4095 12.3731 12.3731 12.4406 12.4406 k = 0.0000 0.0000 0.1794 ( 3486 PWs) bands (ev): 0.4903 0.4903 0.6219 0.6219 0.9294 0.9294 0.9421 0.9421 1.5176 1.5176 1.5851 1.5851 1.7893 1.7893 1.9204 1.9204 1.9586 1.9586 2.1731 2.1731 2.3049 2.3049 4.3867 4.3867 7.3428 7.3428 8.6292 8.6292 8.9654 8.9654 9.8286 9.8286 11.0733 11.0733 11.4095 11.4095 12.3731 12.3731 12.4406 12.4406 k = 0.0000 0.0098 0.1794 ( 3486 PWs) bands (ev): 0.4907 0.4907 0.6223 0.6223 0.9295 0.9295 0.9421 0.9421 1.5176 1.5176 1.5855 1.5855 1.7883 1.7883 1.9206 1.9206 1.9587 1.9587 2.1736 2.1736 2.3053 2.3053 4.3888 4.3888 7.3449 7.3449 8.6294 8.6294 8.9668 8.9668 9.8299 9.8299 11.0720 11.0720 11.4082 11.4082 12.3738 12.3738 12.4411 12.4411 k = 0.0000 0.0196 0.1794 ( 3486 PWs) bands (ev): 0.4920 0.4920 0.6237 0.6237 0.9298 0.9298 0.9421 0.9421 1.5173 1.5173 1.5869 1.5869 1.7853 1.7853 1.9212 1.9212 1.9589 1.9589 2.1752 2.1752 2.3064 2.3064 4.3950 4.3950 7.3510 7.3510 8.6300 8.6300 8.9709 8.9709 9.8339 9.8339 11.0681 11.0681 11.4044 11.4044 12.3757 12.3757 12.4428 12.4428 k = 0.0000 0.0294 0.1794 ( 3482 PWs) bands (ev): 0.4940 0.4940 0.6259 0.6259 0.9303 0.9303 0.9421 0.9421 1.5169 1.5169 1.5893 1.5893 1.7804 1.7804 1.9218 1.9218 1.9594 1.9594 2.1777 2.1777 2.3085 2.3085 4.4055 4.4055 7.3613 7.3613 8.6310 8.6310 8.9777 8.9777 9.8405 9.8405 11.0617 11.0617 11.3982 11.3982 12.3789 12.3789 12.4457 12.4457 k = 0.0000 0.0392 0.1794 ( 3490 PWs) bands (ev): 0.4968 0.4968 0.6290 0.6290 0.9307 0.9307 0.9422 0.9422 1.5161 1.5161 1.5927 1.5927 1.7740 1.7740 1.9219 1.9219 1.9603 1.9603 2.1810 2.1810 2.3115 2.3115 4.4200 4.4200 7.3756 7.3756 8.6323 8.6323 8.9873 8.9873 9.8498 9.8498 11.0526 11.0526 11.3895 11.3895 12.3834 12.3834 12.4497 12.4497 k = 0.0000 0.0490 0.1794 ( 3490 PWs) bands (ev): 0.5002 0.5002 0.6331 0.6331 0.9312 0.9312 0.9423 0.9423 1.5148 1.5148 1.5973 1.5973 1.7665 1.7665 1.9212 1.9212 1.9622 1.9622 2.1847 2.1847 2.3161 2.3161 4.4387 4.4387 7.3938 7.3938 8.6337 8.6337 8.9996 8.9996 9.8618 9.8618 11.0408 11.0408 11.3786 11.3786 12.3893 12.3893 12.4551 12.4551 k = 0.0000 0.0588 0.1794 ( 3492 PWs) bands (ev): 0.5043 0.5043 0.6382 0.6382 0.9316 0.9316 0.9424 0.9424 1.5129 1.5129 1.6029 1.6029 1.7581 1.7581 1.9196 1.9196 1.9650 1.9650 2.1886 2.1886 2.3224 2.3224 4.4615 4.4615 7.4159 7.4159 8.6351 8.6351 9.0146 9.0146 9.8766 9.8766 11.0262 11.0262 11.3657 11.3657 12.3966 12.3966 12.4619 12.4619 k = 0.0000 0.0686 0.1794 ( 3494 PWs) bands (ev): 0.5089 0.5089 0.6443 0.6443 0.9317 0.9317 0.9427 0.9427 1.5104 1.5104 1.6094 1.6094 1.7493 1.7493 1.9170 1.9170 1.9684 1.9684 2.1924 2.1924 2.3309 2.3309 4.4883 4.4883 7.4418 7.4418 8.6364 8.6364 9.0322 9.0322 9.8943 9.8943 11.0088 11.0088 11.3508 11.3508 12.4052 12.4052 12.4702 12.4702 k = 0.0000 0.0784 0.1794 ( 3498 PWs) bands (ev): 0.5138 0.5138 0.6514 0.6514 0.9317 0.9317 0.9430 0.9430 1.5073 1.5073 1.6167 1.6167 1.7404 1.7404 1.9134 1.9134 1.9724 1.9724 2.1958 2.1958 2.3418 2.3418 4.5191 4.5191 7.4713 7.4713 8.6375 8.6375 9.0525 9.0525 9.9148 9.9148 10.9885 10.9885 11.3343 11.3343 12.4152 12.4152 12.4802 12.4802 k = 0.0000 0.0882 0.1794 ( 3504 PWs) bands (ev): 0.5192 0.5192 0.6594 0.6594 0.9313 0.9313 0.9433 0.9433 1.5036 1.5036 1.6243 1.6243 1.7319 1.7319 1.9091 1.9091 1.9768 1.9768 2.1985 2.1985 2.3557 2.3557 4.5537 4.5537 7.5043 7.5043 8.6380 8.6380 9.0754 9.0754 9.9383 9.9383 10.9653 10.9653 11.3163 11.3163 12.4264 12.4264 12.4922 12.4922 k = 0.0000 0.0980 0.1794 ( 3504 PWs) bands (ev): 0.5248 0.5248 0.6687 0.6687 0.9307 0.9307 0.9436 0.9436 1.4992 1.4992 1.6314 1.6314 1.7248 1.7248 1.9042 1.9042 1.9814 1.9814 2.2006 2.2006 2.3728 2.3728 4.5923 4.5923 7.5405 7.5405 8.6378 8.6378 9.1008 9.1008 9.9646 9.9646 10.9393 10.9393 11.2971 11.2971 12.4386 12.4386 12.5063 12.5063 k = 0.0000 0.1078 0.1794 ( 3508 PWs) bands (ev): 0.5305 0.5305 0.6789 0.6789 0.9299 0.9299 0.9437 0.9437 1.4944 1.4944 1.6366 1.6366 1.7200 1.7200 1.8989 1.8989 1.9861 1.9861 2.2019 2.2019 2.3932 2.3932 4.6346 4.6346 7.5800 7.5800 8.6367 8.6367 9.1287 9.1287 9.9938 9.9938 10.9104 10.9104 11.2768 11.2768 12.4516 12.4516 12.5230 12.5230 k = 0.0000 0.1176 0.1794 ( 3506 PWs) bands (ev): 0.5364 0.5364 0.6901 0.6901 0.9290 0.9290 0.9437 0.9437 1.4890 1.4890 1.6388 1.6388 1.7192 1.7192 1.8932 1.8932 1.9909 1.9909 2.2025 2.2025 2.4172 2.4172 4.6806 4.6806 7.6223 7.6223 8.6347 8.6347 9.1591 9.1591 10.0257 10.0257 10.8788 10.8788 11.2556 11.2556 12.4652 12.4652 12.5423 12.5423 k = 0.0000 0.1275 0.1794 ( 3498 PWs) bands (ev): 0.5422 0.5422 0.7023 0.7023 0.9279 0.9279 0.9435 0.9435 1.4833 1.4833 1.6370 1.6370 1.7229 1.7229 1.8872 1.8872 1.9959 1.9959 2.2026 2.2026 2.4449 2.4449 4.7303 4.7303 7.6674 7.6674 8.6314 8.6314 9.1918 9.1918 10.0604 10.0604 10.8446 10.8446 11.2338 11.2338 12.4790 12.4790 12.5644 12.5644 k = 0.0000 0.1373 0.1794 ( 3498 PWs) bands (ev): 0.5479 0.5479 0.7152 0.7152 0.9266 0.9266 0.9429 0.9429 1.4771 1.4771 1.6317 1.6317 1.7305 1.7305 1.8808 1.8808 2.0008 2.0008 2.2021 2.2021 2.4763 2.4763 4.7836 4.7836 7.7149 7.7149 8.6268 8.6268 9.2268 9.2268 10.0975 10.0975 10.8079 10.8079 11.2113 11.2113 12.4931 12.4931 12.5894 12.5894 k = 0.0000 0.1471 0.1794 ( 3498 PWs) bands (ev): 0.5535 0.5535 0.7288 0.7288 0.9253 0.9253 0.9421 0.9421 1.4707 1.4707 1.6240 1.6240 1.7406 1.7406 1.8742 1.8742 2.0058 2.0058 2.2012 2.2012 2.5117 2.5117 4.8403 4.8403 7.7646 7.7646 8.6207 8.6207 9.2638 9.2638 10.1368 10.1368 10.7690 10.7690 11.1883 11.1883 12.5072 12.5072 12.6172 12.6172 k = 0.0000 0.1569 0.1794 ( 3498 PWs) bands (ev): 0.5590 0.5590 0.7429 0.7429 0.9238 0.9238 0.9409 0.9409 1.4642 1.4642 1.6149 1.6149 1.7521 1.7521 1.8673 1.8673 2.0109 2.0109 2.2001 2.2001 2.5512 2.5512 4.9004 4.9004 7.8163 7.8163 8.6131 8.6131 9.3029 9.3029 10.1780 10.1780 10.7280 10.7280 11.1648 11.1648 12.5213 12.5213 12.6476 12.6476 k = 0.0000 0.1667 0.1794 ( 3486 PWs) bands (ev): 0.5644 0.5644 0.7573 0.7573 0.9224 0.9224 0.9397 0.9397 1.4577 1.4577 1.6052 1.6052 1.7643 1.7643 1.8604 1.8604 2.0161 2.0161 2.1987 2.1987 2.5949 2.5949 4.9638 4.9638 7.8697 7.8697 8.6039 8.6039 9.3438 9.3438 10.2207 10.2207 10.6853 10.6853 11.1408 11.1408 12.5353 12.5353 12.6804 12.6804 k = 0.0000 0.1765 0.1794 ( 3486 PWs) bands (ev): 0.5695 0.5695 0.7717 0.7717 0.9208 0.9208 0.9382 0.9382 1.4512 1.4512 1.5952 1.5952 1.7763 1.7763 1.8533 1.8533 2.0215 2.0215 2.1972 2.1972 2.6428 2.6428 5.0304 5.0304 7.9245 7.9245 8.5929 8.5929 9.3862 9.3862 10.2644 10.2644 10.6410 10.6410 11.1162 11.1162 12.5491 12.5491 12.7154 12.7154 k = 0.0000 0.1863 0.1794 ( 3484 PWs) bands (ev): 0.5745 0.5745 0.7858 0.7858 0.9192 0.9192 0.9368 0.9368 1.4450 1.4450 1.5851 1.5851 1.7878 1.7878 1.8462 1.8462 2.0269 2.0269 2.1956 2.1956 2.6951 2.6951 5.1002 5.1002 7.9805 7.9805 8.5803 8.5803 9.4300 9.4300 10.3086 10.3086 10.5954 10.5954 11.0906 11.0906 12.5626 12.5626 12.7522 12.7522 k = 0.0000 0.1961 0.1794 ( 3488 PWs) bands (ev): 0.5792 0.5792 0.7994 0.7994 0.9174 0.9174 0.9354 0.9354 1.4392 1.4392 1.5753 1.5753 1.7980 1.7980 1.8395 1.8395 2.0325 2.0325 2.1939 2.1939 2.7518 2.7518 5.1730 5.1730 8.0372 8.0372 8.5659 8.5659 9.4748 9.4748 10.3526 10.3526 10.5488 10.5488 11.0638 11.0638 12.5755 12.5755 12.7907 12.7907 k = 0.0000 0.2059 0.1794 ( 3484 PWs) bands (ev): 0.5836 0.5836 0.8121 0.8121 0.9156 0.9156 0.9345 0.9345 1.4340 1.4340 1.5659 1.5659 1.8058 1.8058 1.8345 1.8345 2.0382 2.0382 2.1922 2.1922 2.8130 2.8130 5.2489 5.2489 8.0944 8.0944 8.5497 8.5497 9.5204 9.5204 10.3957 10.3957 10.5016 10.5016 11.0352 11.0352 12.5877 12.5877 12.8305 12.8305 k = 0.0000 0.2157 0.1794 ( 3488 PWs) bands (ev): 0.5879 0.5879 0.8233 0.8233 0.9136 0.9136 0.9342 0.9342 1.4296 1.4296 1.5568 1.5568 1.8080 1.8080 1.8340 1.8340 2.0440 2.0440 2.1904 2.1904 2.8786 2.8786 5.3276 5.3276 8.1518 8.1518 8.5319 8.5319 9.5662 9.5662 10.4364 10.4364 10.4548 10.4548 11.0040 11.0040 12.5989 12.5989 12.8712 12.8712 k = 0.0000 0.2255 0.1794 ( 3496 PWs) bands (ev): 0.5917 0.5917 0.8327 0.8327 0.9115 0.9115 0.9348 0.9348 1.4261 1.4261 1.5484 1.5484 1.8040 1.8040 1.8388 1.8388 2.0498 2.0498 2.1886 2.1886 2.9487 2.9487 5.4091 5.4091 8.2091 8.2091 8.5122 8.5122 9.6119 9.6119 10.4058 10.4058 10.4769 10.4769 10.9695 10.9695 12.6089 12.6089 12.9121 12.9121 k = 0.0000 0.2353 0.1794 ( 3492 PWs) bands (ev): 0.5953 0.5953 0.8399 0.8399 0.9094 0.9094 0.9365 0.9365 1.4237 1.4237 1.5408 1.5408 1.7970 1.7970 1.8457 1.8457 2.0556 2.0556 2.1868 2.1868 3.0231 3.0231 5.4933 5.4933 8.2658 8.2658 8.4909 8.4909 9.6569 9.6569 10.3583 10.3583 10.5130 10.5130 10.9304 10.9304 12.6172 12.6172 12.9517 12.9517 k = 0.0000 0.2451 0.1794 ( 3492 PWs) bands (ev): 0.5987 0.5987 0.8447 0.8447 0.9071 0.9071 0.9392 0.9392 1.4224 1.4224 1.5339 1.5339 1.7889 1.7889 1.8528 1.8528 2.0615 2.0615 2.1851 2.1851 3.1018 3.1018 5.5802 5.5802 8.3214 8.3214 8.4681 8.4681 9.7006 9.7006 10.3113 10.3113 10.5455 10.5455 10.8856 10.8856 12.6235 12.6235 12.9791 12.9791 k = 0.0000 0.2549 0.1794 ( 3486 PWs) bands (ev): 0.6018 0.6018 0.8472 0.8472 0.9051 0.9051 0.9428 0.9428 1.4223 1.4223 1.5282 1.5282 1.7803 1.7803 1.8598 1.8598 2.0672 2.0672 2.1832 2.1832 3.1848 3.1848 5.6697 5.6697 8.3745 8.3745 8.4449 8.4449 9.7423 9.7423 10.2653 10.2653 10.5739 10.5739 10.8338 10.8338 12.6275 12.6275 12.9578 12.9578 k = 0.0000 0.2647 0.1794 ( 3486 PWs) bands (ev): 0.6046 0.6046 0.8473 0.8473 0.9033 0.9033 0.9466 0.9466 1.4232 1.4232 1.5236 1.5236 1.7714 1.7714 1.8661 1.8661 2.0728 2.0728 2.1814 2.1814 3.2719 3.2719 5.7616 5.7616 8.4034 8.4034 8.4425 8.4425 9.7813 9.7813 10.2205 10.2205 10.5977 10.5977 10.7740 10.7740 12.6287 12.6287 12.9147 12.9147 k = 0.0000 0.2745 0.1794 ( 3484 PWs) bands (ev): 0.6070 0.6070 0.8456 0.8456 0.9018 0.9018 0.9503 0.9503 1.4249 1.4249 1.5206 1.5206 1.7625 1.7625 1.8720 1.8720 2.0782 2.0782 2.1795 2.1795 3.3630 3.3630 5.8559 5.8559 8.3807 8.3807 8.4879 8.4879 9.8165 9.8165 10.1777 10.1777 10.6159 10.6159 10.7064 10.7064 12.6270 12.6270 12.8689 12.8689 k = 0.0000 0.2843 0.1794 ( 3486 PWs) bands (ev): 0.6092 0.6092 0.8421 0.8421 0.9007 0.9007 0.9536 0.9536 1.4272 1.4272 1.5193 1.5193 1.7534 1.7534 1.8775 1.8775 2.0833 2.0833 2.1776 2.1776 3.4581 3.4581 5.9525 5.9525 8.3499 8.3499 8.5371 8.5371 9.8467 9.8467 10.1377 10.1377 10.6115 10.6115 10.6476 10.6476 12.6219 12.6219 12.8230 12.8230 k = 0.0000 0.2941 0.1794 ( 3486 PWs) bands (ev): 0.6112 0.6112 0.8374 0.8374 0.9000 0.9000 0.9562 0.9562 1.4297 1.4297 1.5201 1.5201 1.7445 1.7445 1.8824 1.8824 2.0882 2.0882 2.1757 2.1757 3.5570 3.5570 6.0514 6.0514 8.3158 8.3158 8.5848 8.5848 9.8699 9.8699 10.1020 10.1020 10.5336 10.5336 10.6490 10.6490 12.6135 12.6135 12.7776 12.7776 k = 0.0000 0.3039 0.1794 ( 3482 PWs) bands (ev): 0.6130 0.6130 0.8316 0.8316 0.8996 0.8996 0.9580 0.9580 1.4320 1.4320 1.5231 1.5231 1.7359 1.7359 1.8870 1.8870 2.0928 2.0928 2.1738 2.1738 3.6596 3.6596 6.1524 6.1524 8.2785 8.2785 8.6300 8.6300 9.8834 9.8834 10.0729 10.0729 10.4387 10.4387 10.6552 10.6552 12.6018 12.6018 12.7331 12.7331 k = 0.0000 0.3137 0.1794 ( 3476 PWs) bands (ev): 0.6146 0.6146 0.8249 0.8249 0.8995 0.8995 0.9591 0.9591 1.4338 1.4338 1.5284 1.5284 1.7277 1.7277 1.8912 1.8912 2.0971 2.0971 2.1719 2.1719 3.7659 3.7659 6.2554 6.2554 8.2377 8.2377 8.6723 8.6723 9.8837 9.8837 10.0536 10.0536 10.3362 10.3362 10.6588 10.6588 12.5869 12.5869 12.6897 12.6897 k = 0.0000 0.3235 0.1794 ( 3472 PWs) bands (ev): 0.6160 0.6160 0.8176 0.8176 0.8997 0.8997 0.9594 0.9594 1.4352 1.4352 1.5354 1.5354 1.7200 1.7200 1.8949 1.8949 2.1010 2.1010 2.1700 2.1700 3.8758 3.8758 6.3604 6.3604 8.1931 8.1931 8.7113 8.7113 9.8695 9.8695 10.0451 10.0451 10.2286 10.2286 10.6594 10.6594 12.5691 12.5691 12.6477 12.6477 k = 0.0000 0.3333 0.1794 ( 3470 PWs) bands (ev): 0.6173 0.6173 0.8096 0.8096 0.9001 0.9001 0.9589 0.9589 1.4361 1.4361 1.5437 1.5437 1.7133 1.7133 1.8982 1.8982 2.1045 2.1045 2.1680 2.1680 3.9890 3.9890 6.4673 6.4673 8.1441 8.1441 8.7467 8.7467 9.8435 9.8435 10.0434 10.0434 10.1187 10.1187 10.6572 10.6572 12.5488 12.5488 12.6072 12.6072 k = 0.0000 0.3431 0.1794 ( 3466 PWs) bands (ev): 0.6186 0.6186 0.8012 0.8012 0.9008 0.9008 0.9579 0.9579 1.4369 1.4369 1.5525 1.5525 1.7079 1.7079 1.9010 1.9010 2.1077 2.1077 2.1661 2.1661 4.1055 4.1055 6.5759 6.5759 8.0899 8.0899 8.7781 8.7781 9.8096 9.8096 10.0003 10.0003 10.0532 10.0532 10.6525 10.6525 12.5266 12.5266 12.5684 12.5684 k = 0.0000 0.3529 0.1794 ( 3464 PWs) bands (ev): 0.6198 0.6198 0.7923 0.7923 0.9016 0.9016 0.9564 0.9564 1.4377 1.4377 1.5608 1.5608 1.7044 1.7044 1.9034 1.9034 2.1105 2.1105 2.1642 2.1642 4.2252 4.2252 6.6861 6.6861 8.0299 8.0299 8.8054 8.8054 9.7702 9.7702 9.8915 9.8915 10.0562 10.0562 10.6455 10.6455 12.5029 12.5029 12.5314 12.5314 k = 0.0000 0.3627 0.1794 ( 3464 PWs) bands (ev): 0.6211 0.6211 0.7833 0.7833 0.9026 0.9026 0.9545 0.9545 1.4386 1.4386 1.5677 1.5677 1.7032 1.7032 1.9052 1.9052 2.1129 2.1129 2.1622 2.1622 4.3480 4.3480 6.7979 6.7979 7.9633 7.9633 8.8284 8.8284 9.7261 9.7261 9.7836 9.7836 10.0622 10.0622 10.6363 10.6363 12.4783 12.4783 12.4966 12.4966 k = 0.0000 0.3725 0.1794 ( 3464 PWs) bands (ev): 0.6225 0.6225 0.7741 0.7741 0.9036 0.9036 0.9523 0.9523 1.4399 1.4399 1.5724 1.5724 1.7051 1.7051 1.9066 1.9066 2.1150 2.1150 2.1602 2.1602 4.4738 4.4738 6.9111 6.9111 7.8894 7.8894 8.8468 8.8468 9.6769 9.6769 9.6808 9.6808 10.0696 10.0696 10.6252 10.6252 12.4530 12.4530 12.4643 12.4643 k = 0.0000 0.3824 0.1794 ( 3470 PWs) bands (ev): 0.6240 0.6240 0.7648 0.7648 0.9047 0.9047 0.9499 0.9499 1.4414 1.4414 1.5743 1.5743 1.7101 1.7101 1.9074 1.9074 2.1169 2.1169 2.1582 2.1582 4.6024 4.6024 7.0255 7.0255 7.8076 7.8076 8.8608 8.8608 9.5831 9.5831 9.6239 9.6239 10.0786 10.0786 10.6122 10.6122 12.4270 12.4270 12.4348 12.4348 k = 0.0000 0.3922 0.1794 ( 3464 PWs) bands (ev): 0.6258 0.6258 0.7554 0.7554 0.9059 0.9059 0.9475 0.9475 1.4435 1.4435 1.5736 1.5736 1.7181 1.7181 1.9075 1.9075 2.1185 2.1185 2.1562 2.1562 4.7337 4.7337 7.1410 7.1410 7.7176 7.7176 8.8703 8.8703 9.4936 9.4936 9.5655 9.5655 10.0898 10.0898 10.5975 10.5975 12.4007 12.4007 12.4086 12.4086 k = 0.0000 0.4020 0.1794 ( 3464 PWs) bands (ev): 0.6277 0.6277 0.7461 0.7461 0.9072 0.9072 0.9449 0.9449 1.4461 1.4461 1.5705 1.5705 1.7285 1.7285 1.9068 1.9068 2.1198 2.1198 2.1543 2.1543 4.8675 4.8675 7.2573 7.2573 7.6192 7.6192 8.8753 8.8753 9.4126 9.4126 9.5023 9.5023 10.1034 10.1034 10.5811 10.5811 12.3754 12.3754 12.3847 12.3847 k = 0.0000 0.4118 0.1794 ( 3466 PWs) bands (ev): 0.6299 0.6299 0.7369 0.7369 0.9085 0.9085 0.9423 0.9423 1.4492 1.4492 1.5658 1.5658 1.7407 1.7407 1.9055 1.9055 2.1211 2.1211 2.1523 2.1523 5.0037 5.0037 7.3741 7.3741 7.5129 7.5129 8.8755 8.8755 9.3403 9.3403 9.4350 9.4350 10.1197 10.1197 10.5632 10.5632 12.3521 12.3521 12.3625 12.3625 k = 0.0000 0.4216 0.1794 ( 3470 PWs) bands (ev): 0.6325 0.6325 0.7278 0.7278 0.9098 0.9098 0.9398 0.9398 1.4528 1.4528 1.5597 1.5597 1.7537 1.7537 1.9034 1.9034 2.1223 2.1223 2.1503 2.1503 5.1421 5.1421 7.3968 7.3968 7.4935 7.4935 8.8705 8.8705 9.2769 9.2769 9.3650 9.3650 10.1385 10.1385 10.5437 10.5437 12.3310 12.3310 12.3421 12.3421 k = 0.0000 0.4314 0.1794 ( 3462 PWs) bands (ev): 0.6354 0.6354 0.7191 0.7191 0.9113 0.9113 0.9373 0.9373 1.4570 1.4570 1.5529 1.5529 1.7673 1.7673 1.9005 1.9005 2.1235 2.1235 2.1482 2.1482 5.2826 5.2826 7.2759 7.2759 7.6108 7.6108 8.8589 8.8589 9.2222 9.2222 9.2945 9.2945 10.1597 10.1597 10.5228 10.5228 12.3124 12.3124 12.3234 12.3234 k = 0.0000 0.4412 0.1794 ( 3462 PWs) bands (ev): 0.6387 0.6387 0.7106 0.7106 0.9127 0.9127 0.9349 0.9349 1.4617 1.4617 1.5455 1.5455 1.7811 1.7811 1.8967 1.8967 2.1248 2.1248 2.1462 2.1462 5.4249 5.4249 7.1483 7.1483 7.7287 7.7287 8.8384 8.8384 9.1754 9.1754 9.2271 9.2271 10.1830 10.1830 10.5006 10.5006 12.2964 12.2964 12.3068 12.3068 k = 0.0000 0.4510 0.1794 ( 3464 PWs) bands (ev): 0.6423 0.6423 0.7024 0.7024 0.9141 0.9141 0.9325 0.9325 1.4669 1.4669 1.5378 1.5378 1.7946 1.7946 1.8920 1.8920 2.1260 2.1260 2.1441 2.1441 5.5687 5.5687 7.0152 7.0152 7.8462 7.8462 8.8053 8.8053 9.1358 9.1358 9.1678 9.1678 10.2079 10.2079 10.4771 10.4771 12.2829 12.2829 12.2923 12.2923 k = 0.0000 0.4608 0.1794 ( 3468 PWs) bands (ev): 0.6463 0.6463 0.6945 0.6945 0.9156 0.9156 0.9303 0.9303 1.4725 1.4725 1.5299 1.5299 1.8077 1.8077 1.8863 1.8863 2.1274 2.1274 2.1421 2.1421 5.7140 5.7140 6.8778 6.8778 7.9631 7.9631 8.7557 8.7557 9.1022 9.1022 9.1220 9.1220 10.2342 10.2342 10.4525 10.4525 12.2721 12.2721 12.2800 12.2800 k = 0.0000 0.4706 0.1794 ( 3468 PWs) bands (ev): 0.6508 0.6508 0.6869 0.6869 0.9172 0.9172 0.9281 0.9281 1.4786 1.4786 1.5220 1.5220 1.8204 1.8204 1.8797 1.8797 2.1289 2.1289 2.1400 2.1400 5.8602 5.8602 6.7370 6.7370 8.0787 8.0787 8.6886 8.6886 9.0755 9.0755 9.0909 9.0909 10.2614 10.2614 10.4268 10.4268 12.2639 12.2639 12.2701 12.2701 k = 0.0000 0.4804 0.1794 ( 3470 PWs) bands (ev): 0.6557 0.6557 0.6798 0.6798 0.9188 0.9188 0.9260 0.9260 1.4851 1.4851 1.5142 1.5142 1.8324 1.8324 1.8721 1.8721 2.1305 2.1305 2.1380 2.1380 6.0072 6.0072 6.5935 6.5935 8.1924 8.1924 8.6061 8.6061 9.0582 9.0582 9.0701 9.0701 10.2892 10.2892 10.4003 10.4003 12.2584 12.2584 12.2626 12.2626 k = 0.0000 0.4902 0.1794 ( 3464 PWs) bands (ev): 0.6612 0.6612 0.6733 0.6733 0.9205 0.9205 0.9241 0.9241 1.4919 1.4919 1.5065 1.5065 1.8436 1.8436 1.8636 1.8636 2.1323 2.1323 2.1360 2.1360 6.1545 6.1545 6.4482 6.4482 8.3035 8.3035 8.5124 8.5124 9.0502 9.0502 9.0568 9.0568 10.3172 10.3172 10.3730 10.3730 12.2555 12.2555 12.2577 12.2577 k = 0.0000 0.5000 0.1794 ( 3460 PWs) bands (ev): 0.6670 0.6670 0.6670 0.6670 0.9222 0.9222 0.9222 0.9222 1.4991 1.4991 1.4991 1.4991 1.8541 1.8541 1.8541 1.8541 2.1341 2.1341 2.1341 2.1341 6.3017 6.3017 6.3017 6.3017 8.4107 8.4107 8.4107 8.4107 9.0501 9.0501 9.0501 9.0501 10.3453 10.3453 10.3453 10.3453 12.2553 12.2553 12.2553 12.2553 k = 0.0000 0.5000 0.1794 ( 3460 PWs) bands (ev): 0.6670 0.6670 0.6670 0.6670 0.9222 0.9222 0.9222 0.9222 1.4991 1.4991 1.4991 1.4991 1.8541 1.8541 1.8541 1.8541 2.1341 2.1341 2.1341 2.1341 6.3017 6.3017 6.3017 6.3017 8.4107 8.4107 8.4107 8.4107 9.0501 9.0501 9.0501 9.0501 10.3453 10.3453 10.3453 10.3453 12.2553 12.2553 12.2553 12.2553 k = 0.0098 0.5000 0.1794 ( 3460 PWs) bands (ev): 0.6653 0.6653 0.6695 0.6695 0.9219 0.9219 0.9222 0.9222 1.4942 1.4942 1.5036 1.5036 1.8530 1.8530 1.8558 1.8558 2.1296 2.1296 2.1379 2.1379 6.3030 6.3030 6.3035 6.3035 8.4114 8.4114 8.4117 8.4117 9.0511 9.0511 9.0523 9.0523 10.3447 10.3447 10.3458 10.3458 12.2525 12.2525 12.2561 12.2561 k = 0.0196 0.5000 0.1794 ( 3460 PWs) bands (ev): 0.6642 0.6642 0.6726 0.6726 0.9213 0.9213 0.9218 0.9218 1.4887 1.4887 1.5076 1.5076 1.8526 1.8526 1.8583 1.8583 2.1243 2.1243 2.1409 2.1409 6.3076 6.3076 6.3086 6.3086 8.4137 8.4137 8.4143 8.4143 9.0554 9.0554 9.0577 9.0577 10.3442 10.3442 10.3464 10.3464 12.2480 12.2480 12.2551 12.2551 k = 0.0294 0.5000 0.1794 ( 3468 PWs) bands (ev): 0.6638 0.6638 0.6764 0.6764 0.9203 0.9203 0.9209 0.9209 1.4827 1.4827 1.5111 1.5111 1.8529 1.8529 1.8614 1.8614 2.1183 2.1183 2.1433 2.1433 6.3154 6.3154 6.3168 6.3168 8.4178 8.4178 8.4186 8.4186 9.0628 9.0628 9.0662 9.0662 10.3438 10.3438 10.3471 10.3471 12.2416 12.2416 12.2522 12.2522 k = 0.0392 0.5000 0.1794 ( 3464 PWs) bands (ev): 0.6642 0.6642 0.6808 0.6808 0.9193 0.9193 0.9197 0.9197 1.4762 1.4762 1.5144 1.5144 1.8538 1.8538 1.8652 1.8652 2.1116 2.1116 2.1450 2.1450 6.3263 6.3263 6.3282 6.3282 8.4234 8.4234 8.4245 8.4245 9.0731 9.0731 9.0776 9.0776 10.3437 10.3437 10.3482 10.3482 12.2338 12.2338 12.2477 12.2477 k = 0.0490 0.5000 0.1794 ( 3460 PWs) bands (ev): 0.6652 0.6652 0.6856 0.6856 0.9179 0.9179 0.9181 0.9181 1.4693 1.4693 1.5175 1.5175 1.8552 1.8552 1.8696 1.8696 2.1041 2.1041 2.1462 2.1462 6.3404 6.3404 6.3428 6.3428 8.4305 8.4305 8.4318 8.4318 9.0863 9.0863 9.0918 9.0918 10.3443 10.3443 10.3498 10.3498 12.2246 12.2246 12.2418 12.2418 k = 0.0588 0.5000 0.1794 ( 3456 PWs) bands (ev): 0.6667 0.6667 0.6908 0.6908 0.9158 0.9158 0.9169 0.9169 1.4620 1.4620 1.5206 1.5206 1.8571 1.8571 1.8745 1.8745 2.0960 2.0960 2.1469 2.1469 6.3575 6.3575 6.3604 6.3604 8.4389 8.4389 8.4404 8.4404 9.1019 9.1019 9.1085 9.1085 10.3458 10.3458 10.3524 10.3524 12.2144 12.2144 12.2348 12.2348 k = 0.0686 0.5000 0.1794 ( 3456 PWs) bands (ev): 0.6687 0.6687 0.6962 0.6962 0.9131 0.9131 0.9158 0.9158 1.4544 1.4544 1.5238 1.5238 1.8594 1.8594 1.8798 1.8798 2.0873 2.0873 2.1471 2.1471 6.3777 6.3777 6.3811 6.3811 8.4485 8.4485 8.4502 8.4502 9.1196 9.1196 9.1272 9.1272 10.3488 10.3488 10.3563 10.3563 12.2036 12.2036 12.2269 12.2269 k = 0.0784 0.5000 0.1794 ( 3460 PWs) bands (ev): 0.6712 0.6712 0.7016 0.7016 0.9098 0.9098 0.9147 0.9147 1.4466 1.4466 1.5271 1.5271 1.8619 1.8619 1.8855 1.8855 2.0779 2.0779 2.1470 2.1470 6.4009 6.4009 6.4047 6.4047 8.4591 8.4591 8.4610 8.4610 9.1391 9.1391 9.1476 9.1476 10.3537 10.3537 10.3622 10.3622 12.1923 12.1923 12.2184 12.2184 k = 0.0882 0.5000 0.1794 ( 3476 PWs) bands (ev): 0.6739 0.6739 0.7068 0.7068 0.9060 0.9060 0.9137 0.9137 1.4386 1.4386 1.5306 1.5306 1.8645 1.8645 1.8915 1.8915 2.0681 2.0681 2.1466 2.1466 6.4269 6.4269 6.4313 6.4313 8.4705 8.4705 8.4724 8.4724 9.1597 9.1597 9.1692 9.1692 10.3612 10.3612 10.3706 10.3706 12.1809 12.1809 12.2096 12.2096 k = 0.0980 0.5000 0.1794 ( 3480 PWs) bands (ev): 0.6768 0.6768 0.7117 0.7117 0.9018 0.9018 0.9132 0.9132 1.4308 1.4308 1.5347 1.5347 1.8674 1.8674 1.8976 1.8976 2.0581 2.0581 2.1462 2.1462 6.4559 6.4559 6.4607 6.4607 8.4825 8.4825 8.4844 8.4844 9.1811 9.1811 9.1913 9.1913 10.3721 10.3721 10.3822 10.3822 12.1699 12.1699 12.2009 12.2009 k = 0.1078 0.5000 0.1794 ( 3480 PWs) bands (ev): 0.6799 0.6799 0.7160 0.7160 0.8972 0.8972 0.9132 0.9132 1.4233 1.4233 1.5394 1.5394 1.8703 1.8703 1.9039 1.9039 2.0478 2.0478 2.1457 2.1457 6.4876 6.4876 6.4928 6.4928 8.4947 8.4947 8.4965 8.4965 9.2025 9.2025 9.2134 9.2134 10.3870 10.3870 10.3978 10.3978 12.1594 12.1594 12.1926 12.1926 k = 0.1176 0.5000 0.1794 ( 3480 PWs) bands (ev): 0.6829 0.6829 0.7196 0.7196 0.8921 0.8921 0.9136 0.9136 1.4161 1.4161 1.5447 1.5447 1.8731 1.8731 1.9101 1.9101 2.0376 2.0376 2.1454 2.1454 6.5219 6.5219 6.5277 6.5277 8.5069 8.5069 8.5086 8.5086 9.2234 9.2234 9.2349 9.2349 10.4068 10.4068 10.4181 10.4181 12.1497 12.1497 12.1848 12.1848 k = 0.1275 0.5000 0.1794 ( 3484 PWs) bands (ev): 0.6858 0.6858 0.7220 0.7220 0.8865 0.8865 0.9144 0.9144 1.4096 1.4096 1.5509 1.5509 1.8758 1.8758 1.9160 1.9160 2.0275 2.0275 2.1452 2.1452 6.5589 6.5589 6.5652 6.5652 8.5187 8.5187 8.5202 8.5202 9.2433 9.2433 9.2552 9.2552 10.4321 10.4321 10.4439 10.4439 12.1410 12.1410 12.1779 12.1779 k = 0.1373 0.5000 0.1794 ( 3484 PWs) bands (ev): 0.6885 0.6885 0.7235 0.7235 0.8806 0.8806 0.9157 0.9157 1.4040 1.4040 1.5579 1.5579 1.8783 1.8783 1.9215 1.9215 2.0179 2.0179 2.1452 2.1452 6.5983 6.5983 6.6051 6.6051 8.5299 8.5299 8.5311 8.5311 9.2616 9.2616 9.2738 9.2738 10.4638 10.4638 10.4759 10.4759 12.1337 12.1337 12.1721 12.1721 k = 0.1471 0.5000 0.1794 ( 3488 PWs) bands (ev): 0.6907 0.6907 0.7237 0.7237 0.8743 0.8743 0.9171 0.9171 1.3993 1.3993 1.5658 1.5658 1.8807 1.8807 1.9261 1.9261 2.0093 2.0093 2.1457 2.1457 6.6402 6.6402 6.6475 6.6475 8.5401 8.5401 8.5410 8.5410 9.2781 9.2781 9.2904 9.2904 10.5023 10.5023 10.5145 10.5145 12.1278 12.1278 12.1675 12.1675 k = 0.1569 0.5000 0.1794 ( 3488 PWs) bands (ev): 0.6925 0.6925 0.7228 0.7228 0.8677 0.8677 0.9186 0.9186 1.3960 1.3960 1.5746 1.5746 1.8828 1.8828 1.9291 1.9291 2.0024 2.0024 2.1465 2.1465 6.6844 6.6844 6.6923 6.6923 8.5489 8.5489 8.5493 8.5493 9.2924 9.2924 9.3047 9.3047 10.5479 10.5479 10.5603 10.5603 12.1236 12.1236 12.1642 12.1642 k = 0.1667 0.5000 0.1794 ( 3488 PWs) bands (ev): 0.6937 0.6937 0.7207 0.7207 0.8607 0.8607 0.9197 0.9197 1.3942 1.3942 1.5845 1.5845 1.8846 1.8846 1.9300 1.9300 1.9978 1.9978 2.1478 2.1478 6.7308 6.7308 6.7393 6.7393 8.5560 8.5560 8.5561 8.5561 9.3046 9.3046 9.3168 9.3168 10.6009 10.6009 10.6133 10.6133 12.1211 12.1211 12.1625 12.1625 k = 0.1765 0.5000 0.1794 ( 3480 PWs) bands (ev): 0.6943 0.6943 0.7176 0.7176 0.8535 0.8535 0.9205 0.9205 1.3941 1.3941 1.5955 1.5955 1.8862 1.8862 1.9281 1.9281 1.9962 1.9962 2.1497 2.1497 6.7794 6.7794 6.7884 6.7884 8.5606 8.5606 8.5614 8.5614 9.3147 9.3147 9.3267 9.3267 10.6612 10.6612 10.6735 10.6735 12.1206 12.1206 12.1625 12.1625 k = 0.1863 0.5000 0.1794 ( 3472 PWs) bands (ev): 0.6943 0.6943 0.7136 0.7136 0.8461 0.8461 0.9203 0.9203 1.3958 1.3958 1.6074 1.6074 1.8875 1.8875 1.9238 1.9238 1.9975 1.9975 2.1521 2.1521 6.8299 6.8299 6.8396 6.8396 8.5629 8.5629 8.5645 8.5645 9.3229 9.3229 9.3347 9.3347 10.7285 10.7285 10.7408 10.7408 12.1220 12.1220 12.1642 12.1642 k = 0.1961 0.5000 0.1794 ( 3468 PWs) bands (ev): 0.6935 0.6935 0.7088 0.7088 0.8384 0.8384 0.9190 0.9190 1.3996 1.3996 1.6202 1.6202 1.8886 1.8886 1.9175 1.9175 2.0010 2.0010 2.1550 2.1550 6.8823 6.8823 6.8927 6.8927 8.5629 8.5629 8.5653 8.5653 9.3295 9.3295 9.3411 9.3411 10.8025 10.8025 10.8148 10.8148 12.1254 12.1254 12.1678 12.1678 k = 0.2059 0.5000 0.1794 ( 3468 PWs) bands (ev): 0.6919 0.6919 0.7031 0.7031 0.8304 0.8304 0.9165 0.9165 1.4052 1.4052 1.6339 1.6339 1.8894 1.8894 1.9102 1.9102 2.0061 2.0061 2.1584 2.1584 6.9365 6.9365 6.9476 6.9476 8.5603 8.5603 8.5636 8.5636 9.3347 9.3347 9.3461 9.3461 10.8826 10.8826 10.8950 10.8950 12.1310 12.1310 12.1733 12.1733 k = 0.2157 0.5000 0.1794 ( 3464 PWs) bands (ev): 0.6895 0.6895 0.6970 0.6970 0.8223 0.8223 0.9125 0.9125 1.4128 1.4128 1.6482 1.6482 1.8902 1.8902 1.9024 1.9024 2.0123 2.0123 2.1625 2.1625 6.9923 6.9923 7.0042 7.0042 8.5553 8.5553 8.5597 8.5597 9.3389 9.3389 9.3500 9.3500 10.9683 10.9683 10.9809 10.9809 12.1387 12.1387 12.1808 12.1808 k = 0.2255 0.5000 0.1794 ( 3468 PWs) bands (ev): 0.6865 0.6865 0.6903 0.6903 0.8139 0.8139 0.9072 0.9072 1.4222 1.4222 1.6630 1.6630 1.8908 1.8908 1.8947 1.8947 2.0192 2.0192 2.1669 2.1669 7.0496 7.0496 7.0623 7.0623 8.5479 8.5479 8.5535 8.5535 9.3421 9.3421 9.3531 9.3531 11.0590 11.0590 11.0720 11.0720 12.1485 12.1485 12.1903 12.1903 k = 0.2353 0.5000 0.1794 ( 3464 PWs) bands (ev): 0.6828 0.6828 0.6834 0.6834 0.8054 0.8054 0.9005 0.9005 1.4333 1.4333 1.6781 1.6781 1.8873 1.8873 1.8914 1.8914 2.0267 2.0267 2.1720 2.1720 7.1081 7.1081 7.1218 7.1218 8.5385 8.5385 8.5453 8.5453 9.3446 9.3446 9.3554 9.3554 11.1539 11.1539 11.1674 11.1674 12.1604 12.1604 12.2018 12.2018 k = 0.2451 0.5000 0.1794 ( 3452 PWs) bands (ev): 0.6761 0.6761 0.6786 0.6786 0.7968 0.7968 0.8926 0.8926 1.4459 1.4459 1.6933 1.6933 1.8806 1.8806 1.8920 1.8920 2.0347 2.0347 2.1775 2.1775 7.1677 7.1677 7.1825 7.1825 8.5273 8.5273 8.5356 8.5356 9.3464 9.3464 9.3570 9.3570 11.2524 11.2524 11.2667 11.2667 12.1743 12.1743 12.2152 12.2152 k = 0.2549 0.5000 0.1794 ( 3460 PWs) bands (ev): 0.6687 0.6687 0.6737 0.6737 0.7879 0.7879 0.8834 0.8834 1.4596 1.4596 1.7081 1.7081 1.8747 1.8747 1.8926 1.8926 2.0429 2.0429 2.1833 2.1833 7.2281 7.2281 7.2441 7.2441 8.5148 8.5148 8.5246 8.5246 9.3474 9.3474 9.3580 9.3580 11.3538 11.3538 11.3690 11.3690 12.1899 12.1899 12.2305 12.2305 k = 0.2647 0.5000 0.1794 ( 3460 PWs) bands (ev): 0.6611 0.6611 0.6685 0.6685 0.7789 0.7789 0.8732 0.8732 1.4742 1.4742 1.7222 1.7222 1.8700 1.8700 1.8933 1.8933 2.0516 2.0516 2.1895 2.1895 7.2889 7.2889 7.3063 7.3063 8.5014 8.5014 8.5130 8.5130 9.3478 9.3478 9.3583 9.3583 11.4573 11.4573 11.4736 11.4736 12.2071 12.2071 12.2474 12.2474 k = 0.2745 0.5000 0.1794 ( 3456 PWs) bands (ev): 0.6536 0.6536 0.6629 0.6629 0.7698 0.7698 0.8622 0.8622 1.4895 1.4895 1.7352 1.7352 1.8670 1.8670 1.8942 1.8942 2.0608 2.0608 2.1960 2.1960 7.3499 7.3499 7.3687 7.3687 8.4879 8.4879 8.5014 8.5014 9.3475 9.3475 9.3579 9.3579 11.5622 11.5622 11.5799 11.5799 12.2255 12.2255 12.2656 12.2656 k = 0.2843 0.5000 0.1794 ( 3464 PWs) bands (ev): 0.6460 0.6460 0.6570 0.6570 0.7604 0.7604 0.8505 0.8505 1.5053 1.5053 1.7462 1.7462 1.8658 1.8658 1.8953 1.8953 2.0703 2.0703 2.2029 2.2029 7.4105 7.4105 7.4310 7.4310 8.4750 8.4750 8.4905 8.4905 9.3464 9.3464 9.3567 9.3567 11.6677 11.6677 11.6870 11.6870 12.2446 12.2446 12.2846 12.2846 k = 0.2941 0.5000 0.1794 ( 3468 PWs) bands (ev): 0.6385 0.6385 0.6509 0.6509 0.7510 0.7510 0.8383 0.8383 1.5212 1.5212 1.7551 1.7551 1.8670 1.8670 1.8966 1.8966 2.0803 2.0803 2.2100 2.2100 7.4702 7.4702 7.4924 7.4924 8.4633 8.4633 8.4810 8.4810 9.3445 9.3445 9.3546 9.3546 11.7729 11.7729 11.7941 11.7941 12.2638 12.2638 12.3040 12.3040 k = 0.3039 0.5000 0.1794 ( 3472 PWs) bands (ev): 0.6311 0.6311 0.6448 0.6448 0.7416 0.7416 0.8256 0.8256 1.5370 1.5370 1.7613 1.7613 1.8706 1.8706 1.8981 1.8981 2.0909 2.0909 2.2173 2.2173 7.5282 7.5282 7.5523 7.5523 8.4540 8.4540 8.4740 8.4740 9.3417 9.3417 9.3518 9.3518 11.8770 11.8770 11.9004 11.9004 12.2826 12.2826 12.3233 12.3233 k = 0.3137 0.5000 0.1794 ( 3468 PWs) bands (ev): 0.6240 0.6240 0.6387 0.6387 0.7321 0.7321 0.8127 0.8127 1.5527 1.5527 1.7650 1.7650 1.8765 1.8765 1.9000 1.9000 2.1020 2.1020 2.2248 2.2248 7.5836 7.5836 7.6098 7.6098 8.4480 8.4480 8.4705 8.4705 9.3382 9.3382 9.3481 9.3481 11.9788 11.9788 12.0046 12.0046 12.3006 12.3006 12.3420 12.3420 k = 0.3235 0.5000 0.1794 ( 3476 PWs) bands (ev): 0.6171 0.6171 0.6326 0.6326 0.7226 0.7226 0.7996 0.7996 1.5679 1.5679 1.7665 1.7665 1.8839 1.8839 1.9021 1.9021 2.1136 2.1136 2.2324 2.2324 7.6356 7.6356 7.6637 7.6637 8.4466 8.4466 8.4714 8.4714 9.3340 9.3340 9.3437 9.3437 12.0762 12.0762 12.1045 12.1045 12.3184 12.3184 12.3605 12.3605 k = 0.3333 0.5000 0.1794 ( 3476 PWs) bands (ev): 0.6105 0.6105 0.6267 0.6267 0.7132 0.7132 0.7865 0.7865 1.5827 1.5827 1.7665 1.7665 1.8922 1.8922 1.9045 1.9045 2.1258 2.1258 2.2400 2.2400 7.6830 7.6830 7.7128 7.7128 8.4511 8.4511 8.4780 8.4780 9.3291 9.3291 9.3385 9.3385 12.1651 12.1651 12.1944 12.1944 12.3402 12.3402 12.3814 12.3814 k = 0.3431 0.5000 0.1794 ( 3488 PWs) bands (ev): 0.6041 0.6041 0.6209 0.6209 0.7038 0.7038 0.7734 0.7734 1.5966 1.5966 1.7653 1.7653 1.9008 1.9008 1.9072 1.9072 2.1384 2.1384 2.2476 2.2476 7.7249 7.7249 7.7559 7.7559 8.4627 8.4627 8.4913 8.4913 9.3236 9.3236 9.3328 9.3328 12.2359 12.2359 12.2565 12.2565 12.3820 12.3820 12.4128 12.4128 k = 0.3529 0.5000 0.1794 ( 3488 PWs) bands (ev): 0.5983 0.5983 0.6154 0.6154 0.6947 0.6947 0.7606 0.7606 1.6099 1.6099 1.7635 1.7635 1.9092 1.9092 1.9102 1.9102 2.1514 2.1514 2.2551 2.2551 7.7604 7.7604 7.7919 7.7919 8.4824 8.4824 8.5119 8.5119 9.3176 9.3176 9.3265 9.3265 12.2749 12.2749 12.2781 12.2781 12.4555 12.4555 12.4669 12.4669 k = 0.3627 0.5000 0.1794 ( 3484 PWs) bands (ev): 0.5928 0.5928 0.6102 0.6102 0.6858 0.6858 0.7480 0.7480 1.6224 1.6224 1.7613 1.7613 1.9134 1.9134 1.9173 1.9173 2.1647 2.1647 2.2625 2.2625 7.7890 7.7890 7.8203 7.8203 8.5106 8.5106 8.5403 8.5403 9.3113 9.3113 9.3198 9.3198 12.2759 12.2759 12.2835 12.2835 12.5416 12.5416 12.5429 12.5429 k = 0.3725 0.5000 0.1794 ( 3484 PWs) bands (ev): 0.5878 0.5878 0.6053 0.6053 0.6773 0.6773 0.7357 0.7357 1.6340 1.6340 1.7588 1.7588 1.9169 1.9169 1.9247 1.9247 2.1782 2.1782 2.2697 2.2697 7.8110 7.8110 7.8412 7.8412 8.5470 8.5470 8.5760 8.5760 9.3048 9.3048 9.3128 9.3128 12.2607 12.2607 12.2726 12.2726 12.6253 12.6253 12.6328 12.6328 k = 0.3824 0.5000 0.1794 ( 3476 PWs) bands (ev): 0.5832 0.5832 0.6008 0.6008 0.6691 0.6691 0.7238 0.7238 1.6448 1.6448 1.7561 1.7561 1.9205 1.9205 1.9314 1.9314 2.1917 2.1917 2.2766 2.2766 7.8269 7.8269 7.8553 7.8553 8.5906 8.5906 8.6182 8.6182 9.2982 9.2982 9.3058 9.3058 12.2356 12.2356 12.2489 12.2489 12.7115 12.7115 12.7219 12.7219 k = 0.3922 0.5000 0.1794 ( 3476 PWs) bands (ev): 0.5790 0.5790 0.5965 0.5965 0.6614 0.6614 0.7124 0.7124 1.6547 1.6547 1.7534 1.7534 1.9242 1.9242 1.9374 1.9374 2.2051 2.2051 2.2831 2.2831 7.8375 7.8375 7.8637 7.8637 8.6399 8.6399 8.6656 8.6656 9.2918 9.2918 9.2988 9.2988 12.2024 12.2024 12.2156 12.2156 12.7973 12.7973 12.8091 12.8091 k = 0.4020 0.5000 0.1794 ( 3480 PWs) bands (ev): 0.5754 0.5754 0.5926 0.5926 0.6542 0.6542 0.7014 0.7014 1.6638 1.6638 1.7507 1.7507 1.9280 1.9280 1.9424 1.9424 2.2180 2.2180 2.2891 2.2891 7.8440 7.8440 7.8676 7.8676 8.6930 8.6930 8.7166 8.7166 9.2855 9.2855 9.2920 9.2920 12.1625 12.1625 12.1747 12.1747 12.8816 12.8816 12.8937 12.8937 k = 0.4118 0.5000 0.1794 ( 3480 PWs) bands (ev): 0.5722 0.5722 0.5890 0.5890 0.6476 0.6476 0.6911 0.6911 1.6721 1.6721 1.7479 1.7479 1.9317 1.9317 1.9468 1.9468 2.2306 2.2306 2.2945 2.2945 7.8473 7.8473 7.8683 7.8683 8.7482 8.7482 8.7694 8.7694 9.2797 9.2797 9.2856 9.2856 12.1174 12.1174 12.1283 12.1283 12.9637 12.9637 12.9755 12.9755 k = 0.4216 0.5000 0.1794 ( 3480 PWs) bands (ev): 0.5696 0.5696 0.5857 0.5857 0.6418 0.6418 0.6813 0.6813 1.6797 1.6797 1.7451 1.7451 1.9354 1.9354 1.9504 1.9504 2.2425 2.2425 2.2993 2.2993 7.8484 7.8484 7.8668 7.8668 8.8036 8.8036 8.8225 8.8225 9.2745 9.2745 9.2798 9.2798 12.0691 12.0691 12.0785 12.0785 13.0430 13.0430 13.0540 13.0540 k = 0.4314 0.5000 0.1794 ( 3488 PWs) bands (ev): 0.5675 0.5675 0.5827 0.5827 0.6367 0.6367 0.6721 0.6721 1.6865 1.6865 1.7422 1.7422 1.9390 1.9390 1.9532 1.9532 2.2537 2.2537 2.3033 2.3033 7.8480 7.8480 7.8638 7.8638 8.8576 8.8576 8.8741 8.8741 9.2699 9.2699 9.2746 9.2746 12.0195 12.0195 12.0274 12.0274 13.1187 13.1187 13.1287 13.1287 k = 0.4412 0.5000 0.1794 ( 3488 PWs) bands (ev): 0.5659 0.5659 0.5798 0.5798 0.6326 0.6326 0.6637 0.6637 1.6927 1.6927 1.7394 1.7394 1.9424 1.9424 1.9555 1.9555 2.2642 2.2642 2.3066 2.3066 7.8467 7.8467 7.8601 7.8601 8.9084 8.9084 8.9225 8.9225 9.2663 9.2663 9.2703 9.2703 11.9708 11.9708 11.9772 11.9772 13.1902 13.1902 13.1990 13.1990 k = 0.4510 0.5000 0.1794 ( 3488 PWs) bands (ev): 0.5648 0.5648 0.5772 0.5772 0.6295 0.6295 0.6560 0.6560 1.6984 1.6984 1.7365 1.7365 1.9456 1.9456 1.9571 1.9571 2.2737 2.2737 2.3089 2.3089 7.8452 7.8452 7.8562 7.8562 8.9544 8.9544 8.9662 8.9662 9.2636 9.2636 9.2670 9.2670 11.9250 11.9250 11.9301 11.9301 13.2562 13.2562 13.2637 13.2637 k = 0.4608 0.5000 0.1794 ( 3492 PWs) bands (ev): 0.5643 0.5643 0.5747 0.5747 0.6274 0.6274 0.6491 0.6491 1.7036 1.7036 1.7335 1.7335 1.9485 1.9485 1.9581 1.9581 2.2822 2.2822 2.3103 2.3103 7.8436 7.8436 7.8523 7.8523 8.9943 8.9943 9.0037 9.0037 9.2620 9.2620 9.2648 9.2648 11.8843 11.8843 11.8881 11.8881 13.3154 13.3154 13.3216 13.3216 k = 0.4706 0.5000 0.1794 ( 3492 PWs) bands (ev): 0.5643 0.5643 0.5724 0.5724 0.6265 0.6265 0.6430 0.6430 1.7084 1.7084 1.7305 1.7305 1.9512 1.9512 1.9585 1.9585 2.2896 2.2896 2.3106 2.3106 7.8423 7.8423 7.8488 7.8488 9.0266 9.0266 9.0336 9.0336 9.2615 9.2615 9.2636 9.2636 11.8504 11.8504 11.8532 11.8532 13.3659 13.3659 13.3706 13.3706 k = 0.4804 0.5000 0.1794 ( 3500 PWs) bands (ev): 0.5647 0.5647 0.5703 0.5703 0.6266 0.6266 0.6378 0.6378 1.7127 1.7127 1.7273 1.7273 1.9534 1.9534 1.9584 1.9584 2.2959 2.2959 2.3099 2.3099 7.8416 7.8416 7.8459 7.8459 9.0504 9.0504 9.0551 9.0551 9.2616 9.2616 9.2631 9.2631 11.8250 11.8250 11.8268 11.8268 13.4051 13.4051 13.4084 13.4084 k = 0.4902 0.5000 0.1794 ( 3500 PWs) bands (ev): 0.5656 0.5656 0.5685 0.5685 0.6278 0.6278 0.6335 0.6335 1.7167 1.7167 1.7240 1.7240 1.9552 1.9552 1.9578 1.9578 2.3011 2.3011 2.3081 2.3081 7.8415 7.8415 7.8437 7.8437 9.0653 9.0653 9.0676 9.0676 9.2622 9.2622 9.2629 9.2629 11.8094 11.8094 11.8103 11.8103 13.4304 13.4304 13.4321 13.4321 k = 0.5000 0.5000 0.1794 ( 3496 PWs) bands (ev): 0.5669 0.5669 0.5669 0.5669 0.6302 0.6302 0.6302 0.6302 1.7205 1.7205 1.7205 1.7205 1.9567 1.9567 1.9567 1.9567 2.3052 2.3052 2.3052 2.3052 7.8422 7.8422 7.8422 7.8422 9.0711 9.0711 9.0711 9.0711 9.2627 9.2627 9.2627 9.2627 11.8044 11.8044 11.8044 11.8044 13.4398 13.4398 13.4398 13.4398 k = 0.5000 0.5000 0.1794 ( 3496 PWs) bands (ev): 0.5669 0.5669 0.5669 0.5669 0.6302 0.6302 0.6302 0.6302 1.7205 1.7205 1.7205 1.7205 1.9567 1.9567 1.9567 1.9567 2.3052 2.3052 2.3052 2.3052 7.8422 7.8422 7.8422 7.8422 9.0711 9.0711 9.0711 9.0711 9.2627 9.2627 9.2627 9.2627 11.8044 11.8044 11.8044 11.8044 13.4398 13.4398 13.4398 13.4398 k = 0.4930 0.4930 0.1794 ( 3490 PWs) bands (ev): 0.5656 0.5656 0.5686 0.5686 0.6278 0.6278 0.6336 0.6336 1.7167 1.7167 1.7241 1.7241 1.9553 1.9553 1.9579 1.9579 2.3012 2.3012 2.3083 2.3083 7.8415 7.8415 7.8437 7.8437 9.0595 9.0595 9.0732 9.0732 9.2617 9.2617 9.2635 9.2635 11.8052 11.8052 11.8149 11.8149 13.4258 13.4259 13.4363 13.4363 k = 0.4859 0.4859 0.1794 ( 3498 PWs) bands (ev): 0.5647 0.5647 0.5705 0.5705 0.6265 0.6265 0.6380 0.6380 1.7126 1.7126 1.7274 1.7274 1.9531 1.9531 1.9587 1.9587 2.2956 2.2956 2.3100 2.3100 7.8415 7.8415 7.8459 7.8459 9.0257 9.0257 9.0794 9.0794 9.2589 9.2589 9.2658 9.2658 11.8074 11.8074 11.8453 11.8453 13.3868 13.3868 13.4256 13.4256 k = 0.4789 0.4789 0.1794 ( 3502 PWs) bands (ev): 0.5641 0.5641 0.5727 0.5727 0.6262 0.6262 0.6434 0.6434 1.7083 1.7083 1.7304 1.7304 1.9502 1.9502 1.9592 1.9592 2.2888 2.2888 2.3109 2.3109 7.8419 7.8419 7.8487 7.8487 8.9715 8.9715 9.0895 9.0895 9.2543 9.2543 9.2703 9.2703 11.8110 11.8110 11.8932 11.8932 13.3280 13.3280 13.4078 13.4078 k = 0.4718 0.4718 0.1794 ( 3502 PWs) bands (ev): 0.5641 0.5641 0.5752 0.5752 0.6270 0.6270 0.6498 0.6498 1.7037 1.7037 1.7333 1.7333 1.9465 1.9465 1.9597 1.9597 2.2807 2.2807 2.3109 2.3109 7.8419 7.8419 7.8518 7.8518 8.9004 8.9004 9.1035 9.1035 9.2482 9.2482 9.2772 9.2772 11.8156 11.8156 11.9550 11.9550 13.2553 13.2553 13.3831 13.3831 k = 0.4648 0.4648 0.1794 ( 3494 PWs) bands (ev): 0.5645 0.5645 0.5781 0.5781 0.6289 0.6289 0.6571 0.6571 1.6990 1.6990 1.7359 1.7359 1.9421 1.9421 1.9601 1.9601 2.2712 2.2712 2.3101 2.3101 7.8405 7.8405 7.8548 7.8548 8.8170 8.8170 9.1208 9.1208 9.2411 9.2411 9.2865 9.2865 11.8208 11.8208 12.0265 12.0265 13.1731 13.1731 13.3517 13.3517 k = 0.4577 0.4577 0.1794 ( 3494 PWs) bands (ev): 0.5655 0.5655 0.5812 0.5812 0.6317 0.6317 0.6653 0.6653 1.6939 1.6939 1.7383 1.7383 1.9367 1.9367 1.9605 1.9605 2.2603 2.2603 2.3086 2.3086 7.8351 7.8351 7.8578 7.8578 8.7268 8.7268 9.1405 9.1405 9.2341 9.2341 9.2983 9.2983 11.8261 11.8261 12.1031 12.1031 13.0850 13.0850 13.3136 13.3136 k = 0.4507 0.4507 0.1794 ( 3498 PWs) bands (ev): 0.5669 0.5669 0.5846 0.5846 0.6354 0.6354 0.6742 0.6742 1.6886 1.6886 1.7405 1.7405 1.9303 1.9303 1.9609 1.9609 2.2479 2.2479 2.3063 2.3063 7.8220 7.8220 7.8607 7.8607 8.6360 8.6360 9.1595 9.1595 9.2302 9.2302 9.3123 9.3123 11.8307 11.8307 12.1806 12.1806 12.9942 12.9942 13.2693 13.2693 k = 0.4437 0.4437 0.1794 ( 3494 PWs) bands (ev): 0.5690 0.5690 0.5883 0.5883 0.6401 0.6401 0.6841 0.6841 1.6831 1.6831 1.7424 1.7424 1.9230 1.9230 1.9614 1.9614 2.2343 2.2343 2.3035 2.3035 7.7962 7.7962 7.8635 7.8635 8.5520 8.5520 9.1703 9.1703 9.2372 9.2372 9.3286 9.3286 11.8337 11.8337 12.2547 12.2547 12.9032 12.9032 13.2190 13.2190 k = 0.4366 0.4366 0.1794 ( 3486 PWs) bands (ev): 0.5716 0.5716 0.5924 0.5924 0.6456 0.6456 0.6946 0.6946 1.6774 1.6774 1.7441 1.7441 1.9148 1.9148 1.9619 1.9619 2.2195 2.2195 2.3002 2.3002 7.7521 7.7521 7.8658 7.8658 8.4825 8.4825 9.1679 9.1679 9.2601 9.2601 9.3472 9.3472 11.8336 11.8336 12.3214 12.3214 12.8148 12.8148 13.1631 13.1631 k = 0.4296 0.4296 0.1794 ( 3486 PWs) bands (ev): 0.5748 0.5748 0.5967 0.5967 0.6520 0.6520 0.7058 0.7058 1.6715 1.6715 1.7456 1.7456 1.9056 1.9056 1.9624 1.9624 2.2035 2.2035 2.2963 2.2963 7.6853 7.6853 7.8675 7.8675 8.4333 8.4333 9.1578 9.1578 9.2936 9.2936 9.3679 9.3679 11.8289 11.8289 12.3766 12.3766 12.7318 12.7318 13.1021 13.1021 k = 0.4225 0.4225 0.1794 ( 3484 PWs) bands (ev): 0.5786 0.5786 0.6014 0.6014 0.6590 0.6590 0.7176 0.7176 1.6653 1.6653 1.7467 1.7467 1.8955 1.8955 1.9629 1.9629 2.1864 2.1864 2.2920 2.2920 7.5953 7.5953 7.8679 7.8679 8.4062 8.4062 9.1444 9.1444 9.3331 9.3331 9.3907 9.3907 11.8178 11.8178 12.4165 12.4165 12.6572 12.6572 13.0364 13.0364 k = 0.4155 0.4155 0.1794 ( 3486 PWs) bands (ev): 0.5829 0.5829 0.6064 0.6064 0.6667 0.6667 0.7301 0.7301 1.6590 1.6590 1.7475 1.7475 1.8845 1.8845 1.9635 1.9635 2.1683 2.1683 2.2873 2.2873 7.4855 7.4855 7.8667 7.8667 8.3990 8.3990 9.1296 9.1296 9.3769 9.3769 9.4157 9.4157 11.7986 11.7986 12.4373 12.4373 12.5940 12.5940 12.9662 12.9662 k = 0.4085 0.4085 0.1794 ( 3486 PWs) bands (ev): 0.5877 0.5877 0.6117 0.6117 0.6751 0.6751 0.7430 0.7430 1.6525 1.6525 1.7480 1.7480 1.8727 1.8727 1.9642 1.9642 2.1496 2.1496 2.2822 2.2822 7.3608 7.3608 7.8634 7.8634 8.4073 8.4073 9.1142 9.1142 9.4241 9.4241 9.4429 9.4429 11.7700 11.7700 12.4364 12.4364 12.5445 12.5445 12.8917 12.8917 k = 0.4014 0.4014 0.1794 ( 3486 PWs) bands (ev): 0.5932 0.5932 0.6175 0.6175 0.6840 0.6840 0.7564 0.7564 1.6459 1.6459 1.7480 1.7480 1.8601 1.8601 1.9649 1.9649 2.1300 2.1300 2.2767 2.2767 7.2259 7.2259 7.8576 7.8576 8.4274 8.4274 9.0984 9.0984 9.4692 9.4692 9.4775 9.4775 11.7319 11.7319 12.4142 12.4142 12.5087 12.5087 12.8132 12.8132 k = 0.3944 0.3944 0.1794 ( 3480 PWs) bands (ev): 0.5991 0.5991 0.6238 0.6238 0.6935 0.6935 0.7701 0.7701 1.6392 1.6392 1.7474 1.7474 1.8469 1.8469 1.9658 1.9658 2.1101 2.1101 2.2710 2.2710 7.0841 7.0841 7.8485 7.8485 8.4561 8.4561 9.0827 9.0827 9.5014 9.5014 9.5298 9.5298 11.6856 11.6856 12.3754 12.3754 12.4834 12.4834 12.7312 12.7312 k = 0.3873 0.3873 0.1794 ( 3480 PWs) bands (ev): 0.6054 0.6054 0.6305 0.6305 0.7034 0.7034 0.7842 0.7842 1.6324 1.6324 1.7460 1.7460 1.8333 1.8333 1.9667 1.9667 2.0896 2.0896 2.2649 2.2649 6.9378 6.9378 7.8359 7.8359 8.4914 8.4914 9.0672 9.0672 9.5343 9.5343 9.5860 9.5860 11.6335 11.6335 12.3236 12.3236 12.4668 12.4668 12.6461 12.6461 k = 0.3803 0.3803 0.1794 ( 3478 PWs) bands (ev): 0.6120 0.6120 0.6376 0.6376 0.7138 0.7138 0.7987 0.7987 1.6256 1.6256 1.7433 1.7433 1.8197 1.8197 1.9677 1.9677 2.0690 2.0690 2.2585 2.2585 6.7889 6.7889 7.8191 7.8191 8.5317 8.5317 9.0519 9.0519 9.5688 9.5688 9.6447 9.6447 11.5784 11.5784 12.2615 12.2615 12.4578 12.4578 12.5586 12.5586 k = 0.3732 0.3732 0.1794 ( 3466 PWs) bands (ev): 0.6190 0.6190 0.6453 0.6453 0.7245 0.7245 0.8132 0.8132 1.6189 1.6189 1.7388 1.7388 1.8070 1.8070 1.9689 1.9689 2.0483 2.0483 2.2520 2.2520 6.6384 6.6384 7.7978 7.7978 8.5759 8.5759 9.0370 9.0370 9.6050 9.6050 9.7056 9.7056 11.5231 11.5231 12.1921 12.1921 12.4529 12.4529 12.4706 12.4706 k = 0.3662 0.3662 0.1794 ( 3474 PWs) bands (ev): 0.6261 0.6261 0.6534 0.6534 0.7355 0.7355 0.8278 0.8278 1.6122 1.6122 1.7313 1.7313 1.7957 1.7957 1.9700 1.9700 2.0276 2.0276 2.2452 2.2452 6.4873 6.4873 7.7716 7.7716 8.6230 8.6230 9.0223 9.0223 9.6428 9.6428 9.7682 9.7682 11.4700 11.4700 12.1181 12.1181 12.3769 12.3769 12.4552 12.4552 k = 0.3592 0.3592 0.1794 ( 3468 PWs) bands (ev): 0.6335 0.6335 0.6622 0.6622 0.7466 0.7466 0.8424 0.8424 1.6057 1.6057 1.7205 1.7205 1.7869 1.7869 1.9714 1.9714 2.0071 2.0071 2.2382 2.2382 6.3363 6.3363 7.7401 7.7401 8.6723 8.6723 9.0079 9.0079 9.6822 9.6822 9.8325 9.8325 11.4212 11.4212 12.0414 12.0414 12.2845 12.2845 12.4560 12.4560 k = 0.3521 0.3521 0.1794 ( 3460 PWs) bands (ev): 0.6409 0.6409 0.6715 0.6715 0.7579 0.7579 0.8569 0.8569 1.5995 1.5995 1.7062 1.7062 1.7805 1.7805 1.9728 1.9728 1.9871 1.9871 2.2312 2.2312 6.1858 6.1858 7.7031 7.7031 8.7231 8.7231 8.9937 8.9937 9.7230 9.7230 9.8979 9.8979 11.3782 11.3782 11.9634 11.9634 12.1912 12.1912 12.4563 12.4563 k = 0.3451 0.3451 0.1794 ( 3476 PWs) bands (ev): 0.6482 0.6482 0.6812 0.6812 0.7693 0.7693 0.8711 0.8711 1.5934 1.5934 1.6890 1.6890 1.7757 1.7757 1.9672 1.9672 1.9744 1.9744 2.2238 2.2238 6.0363 6.0363 7.6604 7.6604 8.7745 8.7745 8.9796 8.9796 9.7652 9.7652 9.9642 9.9642 11.3420 11.3420 11.8853 11.8853 12.0974 12.0974 12.4543 12.4543 k = 0.3380 0.3380 0.1794 ( 3476 PWs) bands (ev): 0.6557 0.6557 0.6916 0.6916 0.7808 0.7808 0.8850 0.8850 1.5878 1.5878 1.6699 1.6699 1.7719 1.7719 1.9481 1.9481 1.9760 1.9760 2.2164 2.2164 5.8882 5.8882 7.6120 7.6120 8.8260 8.8260 8.9655 8.9655 9.8086 9.8086 10.0310 10.0310 11.3137 11.3137 11.8078 11.8078 12.0036 12.0036 12.4490 12.4490 k = 0.3310 0.3310 0.1794 ( 3468 PWs) bands (ev): 0.6630 0.6630 0.7023 0.7023 0.7922 0.7922 0.8986 0.8986 1.5826 1.5826 1.6496 1.6496 1.7687 1.7687 1.9299 1.9299 1.9778 1.9778 2.2089 2.2089 5.7415 5.7415 7.5579 7.5579 8.8764 8.8764 8.9515 8.9515 9.8530 9.8530 10.0980 10.0980 11.2936 11.2936 11.7317 11.7317 11.9101 11.9101 12.4395 12.4395 k = 0.3239 0.3239 0.1794 ( 3464 PWs) bands (ev): 0.6703 0.6703 0.7135 0.7135 0.8036 0.8036 0.9115 0.9115 1.5780 1.5780 1.6284 1.6284 1.7654 1.7654 1.9127 1.9127 1.9798 1.9798 2.2014 2.2014 5.5967 5.5967 7.4984 7.4984 8.9223 8.9223 8.9404 8.9404 9.8982 9.8982 10.1646 10.1646 11.2818 11.2818 11.6576 11.6576 11.8173 11.8173 12.4252 12.4252 k = 0.3169 0.3169 0.1794 ( 3460 PWs) bands (ev): 0.6775 0.6775 0.7249 0.7249 0.8147 0.8147 0.9237 0.9237 1.5739 1.5739 1.6068 1.6068 1.7617 1.7617 1.8966 1.8966 1.9820 1.9820 2.1938 2.1938 5.4539 5.4539 7.4334 7.4334 8.9205 8.9205 8.9743 8.9743 9.9439 9.9439 10.2305 10.2305 11.2783 11.2783 11.5861 11.5861 11.7258 11.7258 12.4062 12.4062 k = 0.3099 0.3099 0.1794 ( 3464 PWs) bands (ev): 0.6846 0.6846 0.7364 0.7364 0.8255 0.8255 0.9350 0.9350 1.5702 1.5702 1.5852 1.5852 1.7573 1.7573 1.8818 1.8818 1.9843 1.9843 2.1861 2.1861 5.3131 5.3131 7.3635 7.3635 8.9063 8.9063 9.0171 9.0171 9.9899 9.9899 10.2951 10.2951 11.2826 11.2826 11.5177 11.5177 11.6361 11.6361 12.3825 12.3825 k = 0.3028 0.3028 0.1794 ( 3456 PWs) bands (ev): 0.6915 0.6915 0.7480 0.7480 0.8361 0.8361 0.9455 0.9455 1.5619 1.5619 1.5693 1.5693 1.7522 1.7522 1.8686 1.8686 1.9869 1.9869 2.1786 2.1786 5.1747 5.1747 7.2888 7.2888 8.8917 8.8917 9.0558 9.0558 10.0357 10.0357 10.3578 10.3578 11.2937 11.2937 11.4530 11.4530 11.5492 11.5492 12.3551 12.3551 k = 0.2958 0.2958 0.1794 ( 3452 PWs) bands (ev): 0.6982 0.6982 0.7596 0.7596 0.8462 0.8462 0.9549 0.9549 1.5414 1.5414 1.5668 1.5668 1.7460 1.7460 1.8572 1.8572 1.9896 1.9896 2.1710 2.1710 5.0387 5.0387 7.2098 7.2098 8.8772 8.8772 9.0891 9.0891 10.0807 10.0807 10.4181 10.4181 11.3092 11.3092 11.3931 11.3931 11.4665 11.4665 12.3248 12.3248 k = 0.2887 0.2887 0.1794 ( 3446 PWs) bands (ev): 0.7046 0.7046 0.7712 0.7712 0.8559 0.8559 0.9631 0.9631 1.5208 1.5208 1.5658 1.5658 1.7387 1.7387 1.8477 1.8477 1.9925 1.9925 2.1635 2.1635 4.9053 4.9053 7.1270 7.1270 8.8628 8.8628 9.1159 9.1159 10.1242 10.1242 10.4751 10.4751 11.3148 11.3148 11.3452 11.3452 11.3955 11.3955 12.2930 12.2930 k = 0.2817 0.2817 0.1794 ( 3448 PWs) bands (ev): 0.7106 0.7106 0.7823 0.7823 0.8650 0.8650 0.9700 0.9700 1.5010 1.5010 1.5657 1.5657 1.7305 1.7305 1.8398 1.8398 1.9956 1.9956 2.1561 2.1561 4.7744 4.7744 7.0407 7.0407 8.8488 8.8488 9.1352 9.1352 10.1652 10.1652 10.5282 10.5282 11.2722 11.2722 11.3014 11.3014 11.3825 11.3825 12.2613 12.2613 k = 0.2746 0.2746 0.1794 ( 3450 PWs) bands (ev): 0.7162 0.7162 0.7930 0.7930 0.8735 0.8735 0.9756 0.9756 1.4824 1.4824 1.5664 1.5664 1.7216 1.7216 1.8336 1.8336 1.9988 1.9988 2.1488 2.1488 4.6463 4.6463 6.9515 6.9515 8.8351 8.8351 9.1460 9.1460 10.2024 10.2024 10.5766 10.5766 11.2156 11.2156 11.2471 11.2471 11.4075 11.4075 12.2318 12.2318 k = 0.2676 0.2676 0.1794 ( 3454 PWs) bands (ev): 0.7213 0.7213 0.8031 0.8031 0.8812 0.8812 0.9799 0.9799 1.4652 1.4652 1.5677 1.5677 1.7126 1.7126 1.8286 1.8286 2.0021 2.0021 2.1417 2.1417 4.5210 4.5210 6.8597 6.8597 8.8220 8.8220 9.1479 9.1479 10.2338 10.2338 10.6194 10.6194 11.1579 11.1579 11.2027 11.2027 11.4369 11.4369 12.2068 12.2068 k = 0.2606 0.2606 0.1794 ( 3446 PWs) bands (ev): 0.7261 0.7261 0.8125 0.8125 0.8883 0.8883 0.9828 0.9828 1.4497 1.4497 1.5696 1.5696 1.7040 1.7040 1.8248 1.8248 2.0056 2.0056 2.1350 2.1350 4.3985 4.3985 6.7659 6.7659 8.8096 8.8096 9.1403 9.1403 10.2573 10.2573 10.6560 10.6560 11.1074 11.1074 11.1654 11.1654 11.4650 11.4650 12.1890 12.1890 k = 0.2535 0.2535 0.1794 ( 3462 PWs) bands (ev): 0.7298 0.7298 0.8210 0.8210 0.8945 0.8945 0.9844 0.9844 1.4361 1.4361 1.5714 1.5714 1.6960 1.6960 1.8215 1.8215 2.0089 2.0089 2.1285 2.1285 4.2790 4.2790 6.6705 6.6705 8.7978 8.7978 9.1231 9.1231 10.2702 10.2702 10.6855 10.6855 11.0685 11.0685 11.1335 11.1335 11.4882 11.4882 12.1816 12.1816 k = 0.2465 0.2465 0.1794 ( 3472 PWs) bands (ev): 0.7328 0.7328 0.8284 0.8284 0.9000 0.9000 0.9847 0.9847 1.4246 1.4246 1.5729 1.5729 1.6896 1.6896 1.8190 1.8190 2.0123 2.0123 2.1226 2.1226 4.1626 4.1626 6.5739 6.5739 8.7866 8.7866 9.0967 9.0967 10.2705 10.2705 10.7075 10.7075 11.0440 11.0440 11.1059 11.1059 11.5037 11.5037 12.1869 12.1869 k = 0.2394 0.2394 0.1794 ( 3472 PWs) bands (ev): 0.7349 0.7349 0.8348 0.8348 0.9047 0.9047 0.9841 0.9841 1.4156 1.4156 1.5737 1.5737 1.6852 1.6852 1.8169 1.8169 2.0155 2.0155 2.1173 2.1173 4.0492 4.0492 6.4764 6.4764 8.7762 8.7762 9.0616 9.0616 10.2568 10.2568 10.7214 10.7214 11.0350 11.0350 11.0824 11.0824 11.5097 11.5097 12.2068 12.2068 k = 0.2324 0.2324 0.1794 ( 3476 PWs) bands (ev): 0.7359 0.7359 0.8398 0.8398 0.9086 0.9086 0.9825 0.9825 1.4091 1.4091 1.5732 1.5732 1.6832 1.6832 1.8151 1.8151 2.0183 2.0183 2.1128 2.1128 3.9390 3.9390 6.3786 6.3786 8.7665 8.7665 9.0184 9.0184 10.2298 10.2298 10.7273 10.7273 11.0377 11.0377 11.0651 11.0651 11.5063 11.5063 12.2412 12.2412 k = 0.2254 0.2254 0.1794 ( 3476 PWs) bands (ev): 0.7358 0.7358 0.8435 0.8435 0.9118 0.9118 0.9803 0.9803 1.4051 1.4051 1.5714 1.5714 1.6839 1.6839 1.8135 1.8135 2.0204 2.0204 2.1093 2.1093 3.8320 3.8320 6.2807 6.2807 8.7573 8.7573 8.9682 8.9682 10.1916 10.1916 10.7252 10.7252 11.0326 11.0326 11.0714 11.0714 11.4946 11.4946 12.2886 12.2886 k = 0.2183 0.2183 0.1794 ( 3476 PWs) bands (ev): 0.7343 0.7343 0.8457 0.8457 0.9141 0.9141 0.9777 0.9777 1.4037 1.4037 1.5681 1.5681 1.6870 1.6870 1.8121 1.8121 2.0219 2.0219 2.1070 2.1070 3.7283 3.7283 6.1831 6.1831 8.7486 8.7486 8.9121 8.9121 10.1447 10.1447 10.7155 10.7155 11.0171 11.0171 11.1005 11.1005 11.4768 11.4768 12.3469 12.3469 k = 0.2113 0.2113 0.1794 ( 3472 PWs) bands (ev): 0.7315 0.7315 0.8464 0.8464 0.9158 0.9158 0.9751 0.9751 1.4048 1.4048 1.5638 1.5638 1.6924 1.6924 1.8110 1.8110 2.0224 2.0224 2.1060 2.1060 3.6278 3.6278 6.0860 6.0860 8.7398 8.7398 8.8515 8.8515 10.0918 10.0918 10.6987 10.6987 11.0010 11.0010 11.1395 11.1395 11.4551 11.4551 12.4136 12.4136 k = 0.2042 0.2042 0.1794 ( 3472 PWs) bands (ev): 0.7272 0.7272 0.8455 0.8455 0.9168 0.9168 0.9727 0.9727 1.4082 1.4082 1.5587 1.5587 1.6991 1.6991 1.8099 1.8099 2.0218 2.0218 2.1065 2.1065 3.5308 3.5308 5.9898 5.9898 8.7289 8.7289 8.7894 8.7894 10.0349 10.0349 10.6757 10.6757 10.9858 10.9858 11.1849 11.1849 11.4314 11.4314 12.4866 12.4866 k = 0.1972 0.1972 0.1794 ( 3474 PWs) bands (ev): 0.7215 0.7215 0.8429 0.8429 0.9172 0.9172 0.9705 0.9705 1.4138 1.4138 1.5533 1.5533 1.7069 1.7069 1.8092 1.8092 2.0202 2.0202 2.1085 2.1085 3.4372 3.4372 5.8948 5.8948 8.6993 8.6993 8.7432 8.7432 9.9756 9.9756 10.6472 10.6472 10.9716 10.9716 11.2340 11.2340 11.4078 11.4078 12.5640 12.5640 k = 0.1901 0.1901 0.1794 ( 3478 PWs) bands (ev): 0.7144 0.7144 0.8386 0.8386 0.9175 0.9175 0.9688 0.9688 1.4213 1.4213 1.5478 1.5478 1.7148 1.7148 1.8090 1.8090 2.0176 2.0176 2.1117 2.1117 3.3471 3.3471 5.8011 5.8011 8.6360 8.6360 8.7288 8.7288 9.9152 9.9152 10.6141 10.6141 10.9586 10.9586 11.2838 11.2838 11.3872 11.3872 12.6443 12.6443 k = 0.1831 0.1831 0.1794 ( 3484 PWs) bands (ev): 0.7061 0.7061 0.8326 0.8326 0.9177 0.9177 0.9674 0.9674 1.4305 1.4305 1.5425 1.5425 1.7225 1.7225 1.8095 1.8095 2.0144 2.0144 2.1159 2.1159 3.2605 3.2605 5.7091 5.7091 8.5645 8.5645 8.7213 8.7213 9.8545 9.8545 10.5775 10.5775 10.9469 10.9469 11.3216 11.3216 11.3822 11.3822 12.7257 12.7257 k = 0.1761 0.1761 0.1794 ( 3492 PWs) bands (ev): 0.6967 0.6967 0.8251 0.8251 0.9181 0.9181 0.9661 0.9661 1.4412 1.4412 1.5374 1.5374 1.7291 1.7291 1.8111 1.8111 2.0108 2.0108 2.1210 2.1210 3.1774 3.1774 5.6189 5.6189 8.4908 8.4908 8.7152 8.7152 9.7942 9.7942 10.5380 10.5380 10.9365 10.9365 11.3211 11.3211 11.4187 11.4187 12.8063 12.8063 k = 0.1690 0.1690 0.1794 ( 3484 PWs) bands (ev): 0.6865 0.6865 0.8164 0.8164 0.9189 0.9189 0.9651 0.9651 1.4533 1.4533 1.5329 1.5329 1.7343 1.7343 1.8143 1.8143 2.0069 2.0069 2.1267 2.1267 3.0981 3.0981 5.5307 5.5307 8.4164 8.4164 8.7098 8.7098 9.7347 9.7347 10.4965 10.4965 10.9277 10.9277 11.3061 11.3061 11.4729 11.4729 12.8833 12.8833 k = 0.1620 0.1620 0.1794 ( 3484 PWs) bands (ev): 0.6755 0.6755 0.8066 0.8066 0.9199 0.9199 0.9641 0.9641 1.4663 1.4663 1.5288 1.5288 1.7375 1.7375 1.8191 1.8191 2.0028 2.0028 2.1328 2.1328 3.0223 3.0223 5.4448 5.4448 8.3420 8.3420 8.7048 8.7048 9.6764 9.6764 10.4537 10.4537 10.9204 10.9204 11.2906 11.2906 11.5307 11.5307 12.9526 12.9526 k = 0.1549 0.1549 0.1794 ( 3484 PWs) bands (ev): 0.6639 0.6639 0.7960 0.7960 0.9211 0.9211 0.9630 0.9630 1.4800 1.4800 1.5253 1.5253 1.7387 1.7387 1.8256 1.8256 1.9986 1.9986 2.1392 2.1392 2.9503 2.9503 5.3613 5.3613 8.2682 8.2682 8.7000 8.7000 9.6196 9.6196 10.4101 10.4101 10.9149 10.9149 11.2770 11.2770 11.5895 11.5895 13.0120 13.0120 k = 0.1479 0.1479 0.1794 ( 3492 PWs) bands (ev): 0.6520 0.6520 0.7848 0.7848 0.9225 0.9225 0.9617 0.9617 1.4941 1.4941 1.5224 1.5224 1.7379 1.7379 1.8333 1.8333 1.9944 1.9944 2.1457 2.1457 2.8821 2.8821 5.2803 5.2803 8.1954 8.1954 8.6954 8.6954 9.5645 9.5645 10.3664 10.3664 10.9111 10.9111 11.2659 11.2659 11.6484 11.6484 13.0633 13.0633 k = 0.1408 0.1408 0.1794 ( 3492 PWs) bands (ev): 0.6398 0.6398 0.7732 0.7732 0.9241 0.9241 0.9603 0.9603 1.5077 1.5077 1.5210 1.5210 1.7357 1.7357 1.8420 1.8420 1.9903 1.9903 2.1522 2.1522 2.8176 2.8176 5.2021 5.2021 8.1241 8.1241 8.6909 8.6909 9.5113 9.5113 10.3228 10.3228 10.9091 10.9091 11.2576 11.2576 11.7069 11.7069 13.1055 13.1055 k = 0.1338 0.1338 0.1794 ( 3492 PWs) bands (ev): 0.6276 0.6276 0.7614 0.7614 0.9257 0.9257 0.9588 0.9588 1.5143 1.5143 1.5273 1.5273 1.7323 1.7323 1.8512 1.8512 1.9864 1.9864 2.1587 2.1587 2.7569 2.7569 5.1268 5.1268 8.0546 8.0546 8.6865 8.6865 9.4601 9.4601 10.2799 10.2799 10.9089 10.9089 11.2521 11.2521 11.7647 11.7647 13.1199 13.1199 k = 0.1268 0.1268 0.1794 ( 3492 PWs) bands (ev): 0.6155 0.6155 0.7496 0.7496 0.9273 0.9273 0.9572 0.9572 1.5139 1.5139 1.5410 1.5410 1.7282 1.7282 1.8606 1.8606 1.9827 1.9827 2.1649 2.1649 2.7001 2.7001 5.0545 5.0545 7.9872 7.9872 8.6821 8.6821 9.4111 9.4111 10.2379 10.2379 10.9105 10.9105 11.2495 11.2495 11.8214 11.8214 13.0954 13.0954 k = 0.1197 0.1197 0.1794 ( 3484 PWs) bands (ev): 0.6036 0.6036 0.7379 0.7379 0.9288 0.9288 0.9555 0.9555 1.5130 1.5130 1.5554 1.5554 1.7237 1.7237 1.8698 1.8698 1.9792 1.9792 2.1710 2.1710 2.6472 2.6472 4.9854 4.9854 7.9222 7.9222 8.6778 8.6778 9.3643 9.3643 10.1971 10.1971 10.9139 10.9139 11.2496 11.2496 11.8768 11.8768 13.0550 13.0550 k = 0.1127 0.1127 0.1794 ( 3484 PWs) bands (ev): 0.5919 0.5919 0.7263 0.7263 0.9303 0.9303 0.9537 0.9537 1.5122 1.5122 1.5693 1.5693 1.7191 1.7191 1.8788 1.8788 1.9760 1.9760 2.1767 2.1767 2.5981 2.5981 4.9196 4.9196 7.8598 7.8598 8.6735 8.6735 9.3199 9.3199 10.1578 10.1578 10.9190 10.9190 11.2524 11.2524 11.9306 11.9306 13.0075 13.0075 k = 0.1056 0.1056 0.1794 ( 3484 PWs) bands (ev): 0.5806 0.5806 0.7150 0.7150 0.9317 0.9317 0.9518 0.9518 1.5117 1.5117 1.5824 1.5824 1.7149 1.7149 1.8872 1.8872 1.9729 1.9729 2.1819 2.1819 2.5529 2.5529 4.8571 4.8571 7.8003 7.8003 8.6692 8.6692 9.2778 9.2778 10.1201 10.1201 10.9258 10.9258 11.2577 11.2577 11.9826 11.9826 12.9562 12.9562 k = 0.0986 0.0986 0.1794 ( 3474 PWs) bands (ev): 0.5698 0.5698 0.7041 0.7041 0.9329 0.9329 0.9501 0.9501 1.5116 1.5116 1.5939 1.5939 1.7117 1.7117 1.8951 1.8951 1.9702 1.9702 2.1865 2.1865 2.5117 2.5117 4.7982 4.7982 7.7438 7.7438 8.6650 8.6650 9.2383 9.2383 10.0842 10.0842 10.9341 10.9341 11.2652 11.2652 12.0324 12.0324 12.9031 12.9031 k = 0.0915 0.0915 0.1794 ( 3482 PWs) bands (ev): 0.5594 0.5594 0.6936 0.6936 0.9339 0.9339 0.9482 0.9482 1.5115 1.5115 1.6031 1.6031 1.7101 1.7101 1.9022 1.9022 1.9677 1.9677 2.1904 2.1904 2.4745 2.4745 4.7429 4.7429 7.6905 7.6905 8.6608 8.6608 9.2012 9.2012 10.0504 10.0504 10.9439 10.9439 11.2747 11.2747 12.0799 12.0799 12.8494 12.8494 k = 0.0845 0.0845 0.1794 ( 3490 PWs) bands (ev): 0.5496 0.5496 0.6837 0.6837 0.9346 0.9346 0.9465 0.9465 1.5117 1.5117 1.6096 1.6096 1.7108 1.7108 1.9084 1.9084 1.9656 1.9656 2.1934 2.1934 2.4412 2.4412 4.6913 4.6913 7.6406 7.6406 8.6568 8.6568 9.1668 9.1668 10.0186 10.0186 10.9548 10.9548 11.2858 11.2858 12.1249 12.1249 12.7961 12.7961 k = 0.0775 0.0775 0.1794 ( 3498 PWs) bands (ev): 0.5405 0.5405 0.6743 0.6743 0.9350 0.9350 0.9449 0.9449 1.5120 1.5120 1.6128 1.6128 1.7143 1.7143 1.9136 1.9136 1.9637 1.9637 2.1955 2.1955 2.4119 2.4119 4.6434 4.6434 7.5942 7.5942 8.6529 8.6529 9.1350 9.1350 9.9890 9.9890 10.9667 10.9667 11.2983 11.2983 12.1670 12.1670 12.7440 12.7440 k = 0.0704 0.0704 0.1794 ( 3498 PWs) bands (ev): 0.5321 0.5321 0.6656 0.6656 0.9352 0.9352 0.9436 0.9436 1.5126 1.5126 1.6132 1.6132 1.7204 1.7204 1.9178 1.9178 1.9623 1.9623 2.1965 2.1965 2.3867 2.3867 4.5995 4.5995 7.5514 7.5514 8.6492 8.6492 9.1058 9.1058 9.9617 9.9617 10.9794 10.9794 11.3117 11.3117 12.2062 12.2062 12.6937 12.6937 k = 0.0634 0.0634 0.1794 ( 3494 PWs) bands (ev): 0.5243 0.5243 0.6575 0.6575 0.9350 0.9350 0.9428 0.9428 1.5133 1.5133 1.6114 1.6114 1.7284 1.7284 1.9210 1.9210 1.9612 1.9612 2.1962 2.1962 2.3656 2.3656 4.5595 4.5595 7.5124 7.5124 8.6457 8.6457 9.0793 9.0793 9.9368 9.9368 10.9926 10.9926 11.3258 11.3258 12.2421 12.2421 12.6460 12.6460 k = 0.0563 0.0563 0.1794 ( 3488 PWs) bands (ev): 0.5173 0.5173 0.6503 0.6503 0.9344 0.9344 0.9423 0.9423 1.5140 1.5140 1.6081 1.6081 1.7375 1.7375 1.9231 1.9231 1.9604 1.9604 2.1947 2.1947 2.3484 2.3484 4.5236 4.5236 7.4773 7.4773 8.6425 8.6425 9.0555 9.0555 9.9144 9.9144 11.0059 11.0059 11.3399 11.3399 12.2745 12.2745 12.6014 12.6014 k = 0.0493 0.0493 0.1794 ( 3488 PWs) bands (ev): 0.5111 0.5111 0.6438 0.6438 0.9337 0.9337 0.9421 0.9421 1.5148 1.5148 1.6041 1.6041 1.7471 1.7471 1.9242 1.9242 1.9598 1.9598 2.1921 2.1921 2.3349 2.3349 4.4917 4.4917 7.4460 7.4460 8.6395 8.6395 9.0345 9.0345 9.8945 9.8945 11.0191 11.0191 11.3538 11.3538 12.3032 12.3032 12.5607 12.5607 k = 0.0423 0.0423 0.1794 ( 3492 PWs) bands (ev): 0.5056 0.5056 0.6380 0.6380 0.9327 0.9327 0.9420 0.9420 1.5154 1.5154 1.5999 1.5999 1.7565 1.7565 1.9244 1.9244 1.9594 1.9594 2.1887 2.1887 2.3247 2.3247 4.4640 4.4640 7.4188 7.4188 8.6369 8.6369 9.0162 9.0162 9.8771 9.8771 11.0316 11.0316 11.3669 11.3669 12.3277 12.3277 12.5246 12.5246 k = 0.0352 0.0352 0.1794 ( 3482 PWs) bands (ev): 0.5010 0.5010 0.6332 0.6332 0.9319 0.9319 0.9421 0.9421 1.5161 1.5161 1.5959 1.5959 1.7655 1.7655 1.9241 1.9241 1.9592 1.9592 2.1850 2.1850 2.3173 2.3173 4.4404 4.4404 7.3957 7.3957 8.6346 8.6346 9.0007 9.0007 9.8624 9.8624 11.0432 11.0432 11.3790 11.3790 12.3477 12.3477 12.4939 12.4939 k = 0.0282 0.0282 0.1794 ( 3486 PWs) bands (ev): 0.4971 0.4971 0.6292 0.6292 0.9310 0.9310 0.9421 0.9421 1.5166 1.5166 1.5922 1.5922 1.7734 1.7734 1.9232 1.9232 1.9590 1.9590 2.1812 2.1812 2.3121 2.3121 4.4211 4.4211 7.3767 7.3767 8.6327 8.6327 8.9880 8.9880 9.8502 9.8502 11.0534 11.0534 11.3894 11.3894 12.3624 12.3624 12.4698 12.4698 k = 0.0211 0.0211 0.1794 ( 3490 PWs) bands (ev): 0.4942 0.4942 0.6260 0.6260 0.9303 0.9303 0.9420 0.9420 1.5170 1.5170 1.5892 1.5892 1.7801 1.7801 1.9222 1.9222 1.9588 1.9588 2.1779 2.1779 2.3087 2.3087 4.4061 4.4061 7.3619 7.3619 8.6312 8.6312 8.9781 8.9781 9.8408 9.8408 11.0618 11.0618 11.3980 11.3980 12.3711 12.3711 12.4533 12.4533 k = 0.0141 0.0141 0.1794 ( 3486 PWs) bands (ev): 0.4920 0.4920 0.6237 0.6237 0.9298 0.9298 0.9421 0.9421 1.5174 1.5174 1.5869 1.5869 1.7851 1.7851 1.9213 1.9213 1.9588 1.9588 2.1753 2.1753 2.3065 2.3065 4.3953 4.3953 7.3513 7.3513 8.6301 8.6301 8.9711 8.9711 9.8340 9.8340 11.0681 11.0681 11.4043 11.4043 12.3740 12.3740 12.4445 12.4445 k = 0.0070 0.0070 0.1794 ( 3486 PWs) bands (ev): 0.4908 0.4908 0.6224 0.6224 0.9295 0.9295 0.9421 0.9421 1.5176 1.5176 1.5856 1.5856 1.7883 1.7883 1.9206 1.9206 1.9586 1.9586 2.1737 2.1737 2.3053 2.3053 4.3888 4.3888 7.3449 7.3449 8.6294 8.6294 8.9668 8.9668 9.8300 9.8300 11.0720 11.0720 11.4082 11.4082 12.3737 12.3737 12.4413 12.4413 k = 0.0000 0.0000 0.1794 ( 3486 PWs) bands (ev): 0.4903 0.4903 0.6219 0.6219 0.9294 0.9294 0.9421 0.9421 1.5176 1.5176 1.5851 1.5851 1.7893 1.7893 1.9204 1.9204 1.9586 1.9586 2.1731 2.1731 2.3049 2.3049 4.3867 4.3867 7.3428 7.3428 8.6292 8.6292 8.9654 8.9654 9.8286 9.8286 11.0733 11.0733 11.4095 11.4095 12.3731 12.3731 12.4406 12.4406 k = 0.0000 0.5000-0.0000 ( 3494 PWs) bands (ev): 0.6645 0.6645 0.6645 0.6645 0.9224 0.9224 0.9224 0.9224 1.4994 1.4994 1.4994 1.4994 1.8547 1.8547 1.8547 1.8547 2.1344 2.1344 2.1344 2.1344 6.4194 6.4194 6.4194 6.4194 7.8116 7.8116 7.8116 7.8116 9.7183 9.7183 9.7183 9.7183 10.4292 10.4292 10.4292 10.4292 12.2537 12.2537 12.2537 12.2537 k = 0.0000 0.5000 0.0100 ( 3490 PWs) bands (ev): 0.6645 0.6645 0.6645 0.6645 0.9224 0.9224 0.9224 0.9224 1.4994 1.4994 1.4994 1.4994 1.8548 1.8548 1.8548 1.8548 2.1344 2.1344 2.1344 2.1344 6.4184 6.4184 6.4184 6.4184 7.8149 7.8149 7.8149 7.8149 9.7147 9.7147 9.7147 9.7147 10.4281 10.4281 10.4281 10.4281 12.2537 12.2537 12.2537 12.2537 k = 0.0000 0.5000 0.0199 ( 3482 PWs) bands (ev): 0.6646 0.6646 0.6646 0.6646 0.9225 0.9225 0.9225 0.9225 1.4995 1.4995 1.4995 1.4995 1.8548 1.8548 1.8548 1.8548 2.1344 2.1344 2.1344 2.1344 6.4153 6.4153 6.4153 6.4153 7.8248 7.8248 7.8248 7.8248 9.7040 9.7040 9.7040 9.7040 10.4249 10.4249 10.4249 10.4249 12.2538 12.2538 12.2538 12.2538 k = 0.0000 0.5000 0.0299 ( 3486 PWs) bands (ev): 0.6647 0.6647 0.6647 0.6647 0.9225 0.9225 0.9225 0.9225 1.4994 1.4994 1.4994 1.4994 1.8547 1.8547 1.8547 1.8547 2.1344 2.1344 2.1344 2.1344 6.4102 6.4102 6.4102 6.4102 7.8411 7.8411 7.8411 7.8411 9.6862 9.6862 9.6862 9.6862 10.4199 10.4199 10.4199 10.4199 12.2538 12.2538 12.2538 12.2538 k = 0.0000 0.5000 0.0399 ( 3482 PWs) bands (ev): 0.6648 0.6648 0.6648 0.6648 0.9225 0.9225 0.9225 0.9225 1.4994 1.4994 1.4994 1.4994 1.8547 1.8547 1.8547 1.8547 2.1344 2.1344 2.1344 2.1344 6.4036 6.4036 6.4036 6.4036 7.8635 7.8635 7.8635 7.8635 9.6615 9.6615 9.6615 9.6615 10.4135 10.4135 10.4135 10.4135 12.2539 12.2539 12.2539 12.2539 k = 0.0000 0.5000 0.0498 ( 3480 PWs) bands (ev): 0.6650 0.6650 0.6650 0.6650 0.9225 0.9225 0.9225 0.9225 1.4994 1.4994 1.4994 1.4994 1.8547 1.8547 1.8547 1.8547 2.1344 2.1344 2.1344 2.1344 6.3955 6.3955 6.3955 6.3955 7.8916 7.8916 7.8916 7.8916 9.6303 9.6303 9.6303 9.6303 10.4062 10.4062 10.4062 10.4062 12.2540 12.2540 12.2540 12.2540 k = 0.0000 0.5000 0.0598 ( 3490 PWs) bands (ev): 0.6651 0.6651 0.6651 0.6651 0.9224 0.9224 0.9224 0.9224 1.4993 1.4993 1.4993 1.4993 1.8546 1.8546 1.8546 1.8546 2.1343 2.1343 2.1343 2.1343 6.3864 6.3864 6.3864 6.3864 7.9250 7.9250 7.9250 7.9250 9.5929 9.5929 9.5929 9.5929 10.3984 10.3984 10.3984 10.3984 12.2541 12.2541 12.2541 12.2541 k = 0.0000 0.5000 0.0698 ( 3478 PWs) bands (ev): 0.6654 0.6654 0.6654 0.6654 0.9224 0.9224 0.9224 0.9224 1.4993 1.4993 1.4993 1.4993 1.8545 1.8545 1.8545 1.8545 2.1343 2.1343 2.1343 2.1343 6.3765 6.3765 6.3765 6.3765 7.9631 7.9631 7.9631 7.9631 9.5500 9.5500 9.5500 9.5500 10.3905 10.3905 10.3905 10.3905 12.2542 12.2542 12.2542 12.2542 k = 0.0000 0.5000 0.0797 ( 3478 PWs) bands (ev): 0.6656 0.6656 0.6656 0.6656 0.9224 0.9224 0.9224 0.9224 1.4993 1.4993 1.4993 1.4993 1.8545 1.8545 1.8545 1.8545 2.1343 2.1343 2.1343 2.1343 6.3663 6.3663 6.3663 6.3663 8.0053 8.0053 8.0053 8.0053 9.5021 9.5021 9.5021 9.5021 10.3829 10.3829 10.3829 10.3829 12.2544 12.2544 12.2544 12.2544 k = 0.0000 0.5000 0.0897 ( 3474 PWs) bands (ev): 0.6658 0.6658 0.6658 0.6658 0.9224 0.9224 0.9224 0.9224 1.4993 1.4993 1.4993 1.4993 1.8544 1.8544 1.8544 1.8544 2.1342 2.1342 2.1342 2.1342 6.3560 6.3560 6.3560 6.3560 8.0510 8.0510 8.0510 8.0510 9.4502 9.4502 9.4502 9.4502 10.3758 10.3758 10.3758 10.3758 12.2545 12.2545 12.2545 12.2545 k = 0.0000 0.5000 0.0997 ( 3456 PWs) bands (ev): 0.6661 0.6661 0.6661 0.6661 0.9224 0.9224 0.9224 0.9224 1.4993 1.4993 1.4993 1.4993 1.8545 1.8545 1.8545 1.8545 2.1343 2.1343 2.1343 2.1343 6.3461 6.3461 6.3461 6.3461 8.0994 8.0994 8.0994 8.0994 9.3952 9.3952 9.3952 9.3952 10.3693 10.3693 10.3693 10.3693 12.2546 12.2546 12.2546 12.2546 k = 0.0000 0.5000 0.1097 ( 3456 PWs) bands (ev): 0.6663 0.6663 0.6663 0.6663 0.9224 0.9224 0.9224 0.9224 1.4993 1.4993 1.4993 1.4993 1.8544 1.8544 1.8544 1.8544 2.1343 2.1343 2.1343 2.1343 6.3366 6.3366 6.3366 6.3366 8.1497 8.1497 8.1497 8.1497 9.3383 9.3383 9.3383 9.3383 10.3636 10.3636 10.3636 10.3636 12.2548 12.2548 12.2548 12.2548 k = 0.0000 0.5000 0.1196 ( 3452 PWs) bands (ev): 0.6665 0.6665 0.6665 0.6665 0.9224 0.9224 0.9224 0.9224 1.4993 1.4993 1.4993 1.4993 1.8544 1.8544 1.8544 1.8544 2.1343 2.1343 2.1343 2.1343 6.3279 6.3279 6.3279 6.3279 8.2008 8.2008 8.2008 8.2008 9.2809 9.2809 9.2809 9.2809 10.3587 10.3587 10.3587 10.3587 12.2549 12.2549 12.2549 12.2549 k = 0.0000 0.5000 0.1296 ( 3448 PWs) bands (ev): 0.6666 0.6666 0.6666 0.6666 0.9224 0.9224 0.9224 0.9224 1.4993 1.4993 1.4993 1.4993 1.8543 1.8543 1.8543 1.8543 2.1343 2.1343 2.1343 2.1343 6.3203 6.3203 6.3203 6.3203 8.2514 8.2514 8.2514 8.2514 9.2244 9.2244 9.2244 9.2244 10.3545 10.3545 10.3545 10.3545 12.2550 12.2550 12.2550 12.2550 k = 0.0000 0.5000 0.1396 ( 3448 PWs) bands (ev): 0.6668 0.6668 0.6668 0.6668 0.9224 0.9224 0.9224 0.9224 1.4993 1.4993 1.4993 1.4993 1.8543 1.8543 1.8543 1.8543 2.1342 2.1342 2.1342 2.1342 6.3137 6.3137 6.3137 6.3137 8.2996 8.2996 8.2996 8.2996 9.1710 9.1710 9.1710 9.1710 10.3512 10.3512 10.3512 10.3512 12.2551 12.2551 12.2551 12.2551 k = 0.0000 0.5000 0.1495 ( 3456 PWs) bands (ev): 0.6668 0.6668 0.6668 0.6668 0.9223 0.9223 0.9223 0.9223 1.4992 1.4992 1.4992 1.4992 1.8542 1.8542 1.8542 1.8542 2.1342 2.1342 2.1342 2.1342 6.3085 6.3085 6.3085 6.3085 8.3431 8.3431 8.3431 8.3431 9.1233 9.1233 9.1233 9.1233 10.3486 10.3486 10.3486 10.3486 12.2552 12.2552 12.2552 12.2552 k = 0.0000 0.5000 0.1595 ( 3462 PWs) bands (ev): 0.6669 0.6669 0.6669 0.6669 0.9223 0.9223 0.9223 0.9223 1.4991 1.4991 1.4991 1.4991 1.8541 1.8541 1.8541 1.8541 2.1341 2.1341 2.1341 2.1341 6.3047 6.3047 6.3047 6.3047 8.3786 8.3786 8.3786 8.3786 9.0847 9.0847 9.0847 9.0847 10.3467 10.3467 10.3467 10.3467 12.2552 12.2552 12.2552 12.2552 k = 0.0000 0.5000 0.1695 ( 3460 PWs) bands (ev): 0.6670 0.6670 0.6670 0.6670 0.9222 0.9222 0.9222 0.9222 1.4991 1.4991 1.4991 1.4991 1.8541 1.8541 1.8541 1.8541 2.1341 2.1341 2.1341 2.1341 6.3024 6.3024 6.3024 6.3024 8.4023 8.4023 8.4023 8.4023 9.0591 9.0591 9.0591 9.0591 10.3456 10.3456 10.3456 10.3456 12.2553 12.2553 12.2553 12.2553 k = 0.0000 0.5000 0.1794 ( 3460 PWs) bands (ev): 0.6670 0.6670 0.6670 0.6670 0.9222 0.9222 0.9222 0.9222 1.4991 1.4991 1.4991 1.4991 1.8541 1.8541 1.8541 1.8541 2.1341 2.1341 2.1341 2.1341 6.3017 6.3017 6.3017 6.3017 8.4107 8.4107 8.4107 8.4107 9.0501 9.0501 9.0501 9.0501 10.3453 10.3453 10.3453 10.3453 12.2553 12.2553 12.2553 12.2553 k = 0.5000 0.5000-0.0000 ( 3484 PWs) bands (ev): 0.5656 0.5656 0.5656 0.5656 0.6268 0.6268 0.6268 0.6268 1.7252 1.7252 1.7252 1.7252 1.9588 1.9588 1.9588 1.9588 2.3069 2.3069 2.3069 2.3069 7.8491 7.8491 7.8491 7.8491 8.4555 8.4555 8.4555 8.4555 10.9745 10.9745 10.9745 10.9745 11.1728 11.1728 11.1728 11.1728 12.4432 12.4432 12.4432 12.4432 k = 0.5000 0.5000 0.0100 ( 3484 PWs) bands (ev): 0.5656 0.5656 0.5656 0.5656 0.6268 0.6268 0.6268 0.6268 1.7252 1.7252 1.7252 1.7252 1.9588 1.9588 1.9588 1.9588 2.3069 2.3069 2.3069 2.3069 7.8491 7.8491 7.8491 7.8491 8.4578 8.4578 8.4578 8.4578 10.9109 10.9109 10.9109 10.9109 11.2386 11.2386 11.2386 11.2386 12.4216 12.4216 12.4216 12.4216 k = 0.5000 0.5000 0.0199 ( 3468 PWs) bands (ev): 0.5657 0.5657 0.5657 0.5657 0.6270 0.6270 0.6270 0.6270 1.7251 1.7251 1.7251 1.7251 1.9588 1.9588 1.9588 1.9588 2.3070 2.3070 2.3070 2.3070 7.8489 7.8489 7.8489 7.8489 8.4645 8.4645 8.4645 8.4645 10.7992 10.7992 10.7992 10.7992 11.3572 11.3572 11.3572 11.3572 12.3724 12.3724 12.3724 12.3724 k = 0.5000 0.5000 0.0299 ( 3468 PWs) bands (ev): 0.5657 0.5657 0.5657 0.5657 0.6271 0.6271 0.6271 0.6271 1.7249 1.7249 1.7249 1.7249 1.9589 1.9589 1.9589 1.9589 2.3069 2.3069 2.3069 2.3069 7.8487 7.8487 7.8487 7.8487 8.4756 8.4756 8.4756 8.4756 10.6805 10.6805 10.6805 10.6805 11.4872 11.4872 11.4872 11.4872 12.3140 12.3140 12.3140 12.3140 k = 0.5000 0.5000 0.0399 ( 3460 PWs) bands (ev): 0.5659 0.5659 0.5659 0.5659 0.6273 0.6273 0.6273 0.6273 1.7247 1.7247 1.7247 1.7247 1.9588 1.9588 1.9588 1.9588 2.3069 2.3069 2.3069 2.3069 7.8483 7.8483 7.8483 7.8483 8.4912 8.4912 8.4912 8.4912 10.5616 10.5616 10.5616 10.5616 11.6218 11.6218 11.6218 11.6218 12.2543 12.2543 12.2543 12.2543 k = 0.5000 0.5000 0.0498 ( 3460 PWs) bands (ev): 0.5660 0.5660 0.5660 0.5660 0.6275 0.6275 0.6275 0.6275 1.7245 1.7245 1.7245 1.7245 1.9587 1.9587 1.9587 1.9587 2.3068 2.3068 2.3068 2.3068 7.8479 7.8479 7.8479 7.8479 8.5111 8.5111 8.5111 8.5111 10.4442 10.4442 10.4442 10.4442 11.7591 11.7591 11.7591 11.7591 12.1965 12.1965 12.1965 12.1965 k = 0.5000 0.5000 0.0598 ( 3476 PWs) bands (ev): 0.5659 0.5659 0.5659 0.5659 0.6277 0.6277 0.6277 0.6277 1.7241 1.7241 1.7241 1.7241 1.9584 1.9584 1.9584 1.9584 2.3065 2.3065 2.3065 2.3065 7.8474 7.8474 7.8474 7.8474 8.5355 8.5355 8.5355 8.5355 10.3290 10.3290 10.3290 10.3290 11.8977 11.8977 11.8977 11.8977 12.1426 12.1426 12.1426 12.1426 k = 0.5000 0.5000 0.0698 ( 3476 PWs) bands (ev): 0.5660 0.5660 0.5660 0.5660 0.6280 0.6280 0.6280 0.6280 1.7238 1.7238 1.7238 1.7238 1.9583 1.9583 1.9583 1.9583 2.3064 2.3064 2.3064 2.3064 7.8469 7.8469 7.8469 7.8469 8.5642 8.5642 8.5642 8.5642 10.2163 10.2163 10.2163 10.2163 12.0283 12.0283 12.0283 12.0283 12.1021 12.1021 12.1021 12.1021 k = 0.5000 0.5000 0.0797 ( 3480 PWs) bands (ev): 0.5661 0.5661 0.5661 0.5661 0.6283 0.6283 0.6283 0.6283 1.7233 1.7233 1.7233 1.7233 1.9581 1.9581 1.9581 1.9581 2.3062 2.3062 2.3062 2.3062 7.8463 7.8463 7.8463 7.8463 8.5971 8.5971 8.5971 8.5971 10.1063 10.1063 10.1063 10.1063 12.0331 12.0331 12.0331 12.0331 12.1930 12.1930 12.1930 12.1930 k = 0.5000 0.5000 0.0897 ( 3472 PWs) bands (ev): 0.5663 0.5663 0.5663 0.5663 0.6286 0.6286 0.6286 0.6286 1.7230 1.7230 1.7230 1.7230 1.9580 1.9580 1.9580 1.9580 2.3061 2.3061 2.3061 2.3061 7.8457 7.8457 7.8457 7.8457 8.6342 8.6342 8.6342 8.6342 9.9993 9.9993 9.9993 9.9993 11.9924 11.9924 11.9924 11.9924 12.3348 12.3348 12.3348 12.3348 k = 0.5000 0.5000 0.0997 ( 3480 PWs) bands (ev): 0.5664 0.5664 0.5664 0.5664 0.6289 0.6289 0.6289 0.6289 1.7225 1.7225 1.7225 1.7225 1.9577 1.9577 1.9577 1.9577 2.3059 2.3059 2.3059 2.3059 7.8451 7.8451 7.8451 7.8451 8.6755 8.6755 8.6755 8.6755 9.8953 9.8953 9.8953 9.8953 11.9538 11.9538 11.9538 11.9538 12.4797 12.4797 12.4797 12.4797 k = 0.5000 0.5000 0.1097 ( 3472 PWs) bands (ev): 0.5666 0.5666 0.5666 0.5666 0.6292 0.6292 0.6292 0.6292 1.7222 1.7222 1.7222 1.7222 1.9576 1.9576 1.9576 1.9576 2.3058 2.3058 2.3058 2.3058 7.8445 7.8445 7.8445 7.8445 8.7207 8.7207 8.7207 8.7207 9.7946 9.7946 9.7946 9.7946 11.9192 11.9192 11.9192 11.9192 12.6255 12.6255 12.6255 12.6255 k = 0.5000 0.5000 0.1196 ( 3496 PWs) bands (ev): 0.5665 0.5665 0.5665 0.5665 0.6294 0.6294 0.6294 0.6294 1.7216 1.7216 1.7216 1.7216 1.9573 1.9573 1.9573 1.9573 2.3055 2.3055 2.3055 2.3055 7.8440 7.8440 7.8440 7.8440 8.7698 8.7698 8.7698 8.7698 9.6975 9.6975 9.6975 9.6975 11.8890 11.8890 11.8890 11.8890 12.7712 12.7712 12.7712 12.7712 k = 0.5000 0.5000 0.1296 ( 3500 PWs) bands (ev): 0.5666 0.5666 0.5666 0.5666 0.6296 0.6296 0.6296 0.6296 1.7213 1.7213 1.7213 1.7213 1.9571 1.9571 1.9571 1.9571 2.3054 2.3054 2.3054 2.3054 7.8435 7.8435 7.8435 7.8435 8.8225 8.8225 8.8225 8.8225 9.6040 9.6040 9.6040 9.6040 11.8632 11.8632 11.8632 11.8632 12.9156 12.9156 12.9156 12.9156 k = 0.5000 0.5000 0.1396 ( 3504 PWs) bands (ev): 0.5667 0.5667 0.5667 0.5667 0.6298 0.6298 0.6298 0.6298 1.7210 1.7210 1.7210 1.7210 1.9570 1.9570 1.9570 1.9570 2.3053 2.3053 2.3053 2.3053 7.8430 7.8430 7.8430 7.8430 8.8783 8.8783 8.8783 8.8783 9.5149 9.5149 9.5149 9.5149 11.8421 11.8421 11.8421 11.8421 13.0569 13.0569 13.0569 13.0569 k = 0.5000 0.5000 0.1495 ( 3504 PWs) bands (ev): 0.5667 0.5667 0.5667 0.5667 0.6299 0.6299 0.6299 0.6299 1.7207 1.7207 1.7207 1.7207 1.9569 1.9569 1.9569 1.9569 2.3052 2.3052 2.3052 2.3052 7.8427 7.8427 7.8427 7.8427 8.9364 8.9364 8.9364 8.9364 9.4308 9.4308 9.4308 9.4308 11.8256 11.8256 11.8256 11.8256 13.1915 13.1915 13.1915 13.1915 k = 0.5000 0.5000 0.1595 ( 3504 PWs) bands (ev): 0.5668 0.5668 0.5668 0.5668 0.6300 0.6300 0.6300 0.6300 1.7206 1.7206 1.7206 1.7206 1.9568 1.9568 1.9568 1.9568 2.3052 2.3052 2.3052 2.3052 7.8424 7.8424 7.8424 7.8424 8.9946 8.9946 8.9946 8.9946 9.3540 9.3540 9.3540 9.3540 11.8139 11.8139 11.8139 11.8139 13.3122 13.3122 13.3122 13.3122 k = 0.5000 0.5000 0.1695 ( 3496 PWs) bands (ev): 0.5669 0.5669 0.5669 0.5669 0.6301 0.6301 0.6301 0.6301 1.7205 1.7205 1.7205 1.7205 1.9568 1.9568 1.9568 1.9568 2.3052 2.3052 2.3052 2.3052 7.8423 7.8423 7.8423 7.8423 9.0464 9.0464 9.0464 9.0464 9.2911 9.2911 9.2911 9.2911 11.8068 11.8068 11.8068 11.8068 13.4036 13.4036 13.4036 13.4036 k = 0.5000 0.5000 0.1794 ( 3496 PWs) bands (ev): 0.5669 0.5669 0.5669 0.5669 0.6302 0.6302 0.6302 0.6302 1.7205 1.7205 1.7205 1.7205 1.9567 1.9567 1.9567 1.9567 2.3052 2.3052 2.3052 2.3052 7.8422 7.8422 7.8422 7.8422 9.0711 9.0711 9.0711 9.0711 9.2627 9.2627 9.2627 9.2627 11.8044 11.8044 11.8044 11.8044 13.4398 13.4398 13.4398 13.4398 Writing output data file ZrCd.save init_run : 0.47s CPU 0.77s WALL ( 1 calls) electrons : 147.92s CPU 151.77s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.14s WALL ( 1 calls) potinit : 0.03s CPU 0.12s WALL ( 1 calls) Called by electrons: c_bands : 147.91s CPU 151.76s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.06s CPU 0.10s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.05s WALL ( 409 calls) cegterg : 135.07s CPU 137.13s WALL ( 570 calls) Called by sum_band: Called by *egterg: h_psi : 78.65s CPU 80.35s WALL ( 9847 calls) s_psi : 3.04s CPU 3.15s WALL ( 9847 calls) g_psi : 0.23s CPU 0.23s WALL ( 8868 calls) cdiaghg : 49.36s CPU 50.04s WALL ( 9277 calls) cegterg:over : 5.26s CPU 5.29s WALL ( 8868 calls) cegterg:upda : 4.26s CPU 4.31s WALL ( 8868 calls) cegterg:last : 2.72s CPU 2.56s WALL ( 1852 calls) cdiaghg:chol : 2.88s CPU 2.75s WALL ( 9277 calls) cdiaghg:inve : 1.51s CPU 1.55s WALL ( 9277 calls) cdiaghg:para : 2.78s CPU 2.88s WALL ( 18554 calls) Called by h_psi: h_psi:vloc : 69.56s CPU 71.02s WALL ( 9847 calls) h_psi:vnl : 8.86s CPU 9.11s WALL ( 9847 calls) add_vuspsi : 4.45s CPU 4.55s WALL ( 9847 calls) General routines calbec : 4.39s CPU 4.54s WALL ( 9847 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 63.15s CPU 64.53s WALL ( 983964 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.12s CPU 0.20s WALL ( 818 calls) Parallel routines fft_scatter : 23.41s CPU 23.64s WALL ( 983987 calls) PWSCF : 2m42.39s CPU 3m16.21s WALL This run was terminated on: 16:58:15 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=