Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:55:57 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: ./ZrNiP2.save/ file Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 24 20 6 1310 1016 168 Max 25 21 7 1318 1032 175 Sum 869 741 221 47269 36863 6101 bravais-lattice index = 14 lattice parameter (alat) = 6.7822 a.u. unit-cell volume = 770.0663 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 3 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 236.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.782227 celldm(2)= 1.000000 celldm(3)= 2.468376 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 2.468376 ) 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 0.405125 ) 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 Ni read from file: /users/gautes/Pseudo/Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 9d95a5a85785a32f0d1fefdc4874c578 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1195 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for P read from file: /users/gautes/Pseudo/P.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 667ec27f6326587e4f0d1734a2230026 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1147 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) Ni 10.00 58.69340 Ni( 1.00) P 5.00 30.97380 P( 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= 363 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027548 k( 2) = ( 0.0000000 0.0113636 -0.0000000), wk = 0.0027548 k( 3) = ( 0.0000000 0.0227273 -0.0000000), wk = 0.0027548 k( 4) = ( 0.0000000 0.0340909 -0.0000000), wk = 0.0027548 k( 5) = ( 0.0000000 0.0454546 -0.0000000), wk = 0.0027548 k( 6) = ( 0.0000000 0.0568182 -0.0000000), wk = 0.0027548 k( 7) = ( 0.0000000 0.0681818 -0.0000000), wk = 0.0027548 k( 8) = ( 0.0000000 0.0795455 -0.0000000), wk = 0.0027548 k( 9) = ( 0.0000000 0.0909091 -0.0000000), wk = 0.0027548 k( 10) = ( 0.0000000 0.1022727 -0.0000000), wk = 0.0027548 k( 11) = ( 0.0000000 0.1136364 -0.0000000), wk = 0.0027548 k( 12) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0027548 k( 13) = ( 0.0000000 0.1363636 -0.0000000), wk = 0.0027548 k( 14) = ( 0.0000000 0.1477273 -0.0000000), wk = 0.0027548 k( 15) = ( 0.0000000 0.1590909 -0.0000000), wk = 0.0027548 k( 16) = ( 0.0000000 0.1704546 -0.0000000), wk = 0.0027548 k( 17) = ( 0.0000000 0.1818182 -0.0000000), wk = 0.0027548 k( 18) = ( 0.0000000 0.1931818 -0.0000000), wk = 0.0027548 k( 19) = ( 0.0000000 0.2045454 -0.0000000), wk = 0.0027548 k( 20) = ( 0.0000000 0.2159091 -0.0000000), wk = 0.0027548 k( 21) = ( 0.0000000 0.2272727 -0.0000000), wk = 0.0027548 k( 22) = ( 0.0000000 0.2386364 -0.0000000), wk = 0.0027548 k( 23) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0027548 k( 24) = ( 0.0000000 0.2613636 -0.0000000), wk = 0.0027548 k( 25) = ( 0.0000000 0.2727273 -0.0000000), wk = 0.0027548 k( 26) = ( 0.0000000 0.2840909 -0.0000000), wk = 0.0027548 k( 27) = ( 0.0000000 0.2954545 -0.0000000), wk = 0.0027548 k( 28) = ( 0.0000000 0.3068182 -0.0000000), wk = 0.0027548 k( 29) = ( 0.0000000 0.3181818 -0.0000000), wk = 0.0027548 k( 30) = ( 0.0000000 0.3295455 -0.0000000), wk = 0.0027548 k( 31) = ( 0.0000000 0.3409091 -0.0000000), wk = 0.0027548 k( 32) = ( 0.0000000 0.3522727 -0.0000000), wk = 0.0027548 k( 33) = ( 0.0000000 0.3636364 -0.0000000), wk = 0.0027548 k( 34) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0027548 k( 35) = ( 0.0000000 0.3863636 -0.0000000), wk = 0.0027548 k( 36) = ( 0.0000000 0.3977273 -0.0000000), wk = 0.0027548 k( 37) = ( 0.0000000 0.4090909 -0.0000000), wk = 0.0027548 k( 38) = ( 0.0000000 0.4204545 -0.0000000), wk = 0.0027548 k( 39) = ( 0.0000000 0.4318182 -0.0000000), wk = 0.0027548 k( 40) = ( 0.0000000 0.4431818 -0.0000000), wk = 0.0027548 k( 41) = ( 0.0000000 0.4545455 -0.0000000), wk = 0.0027548 k( 42) = ( 0.0000000 0.4659091 -0.0000000), wk = 0.0027548 k( 43) = ( 0.0000000 0.4772727 -0.0000000), wk = 0.0027548 k( 44) = ( 0.0000000 0.4886364 -0.0000000), wk = 0.0027548 k( 45) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027548 k( 46) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027548 k( 47) = ( 0.0113636 0.5000000 -0.0000000), wk = 0.0027548 k( 48) = ( 0.0227273 0.5000000 -0.0000000), wk = 0.0027548 k( 49) = ( 0.0340909 0.5000000 -0.0000000), wk = 0.0027548 k( 50) = ( 0.0454546 0.5000000 -0.0000000), wk = 0.0027548 k( 51) = ( 0.0568182 0.5000000 -0.0000000), wk = 0.0027548 k( 52) = ( 0.0681818 0.5000000 -0.0000000), wk = 0.0027548 k( 53) = ( 0.0795455 0.5000000 -0.0000000), wk = 0.0027548 k( 54) = ( 0.0909091 0.5000000 -0.0000000), wk = 0.0027548 k( 55) = ( 0.1022727 0.5000000 -0.0000000), wk = 0.0027548 k( 56) = ( 0.1136364 0.5000000 -0.0000000), wk = 0.0027548 k( 57) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0027548 k( 58) = ( 0.1363636 0.5000000 -0.0000000), wk = 0.0027548 k( 59) = ( 0.1477273 0.5000000 -0.0000000), wk = 0.0027548 k( 60) = ( 0.1590909 0.5000000 -0.0000000), wk = 0.0027548 k( 61) = ( 0.1704546 0.5000000 -0.0000000), wk = 0.0027548 k( 62) = ( 0.1818182 0.5000000 -0.0000000), wk = 0.0027548 k( 63) = ( 0.1931818 0.5000000 -0.0000000), wk = 0.0027548 k( 64) = ( 0.2045454 0.5000000 -0.0000000), wk = 0.0027548 k( 65) = ( 0.2159091 0.5000000 -0.0000000), wk = 0.0027548 k( 66) = ( 0.2272727 0.5000000 -0.0000000), wk = 0.0027548 k( 67) = ( 0.2386364 0.5000000 -0.0000000), wk = 0.0027548 k( 68) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0027548 k( 69) = ( 0.2613636 0.5000000 -0.0000000), wk = 0.0027548 k( 70) = ( 0.2727273 0.5000000 -0.0000000), wk = 0.0027548 k( 71) = ( 0.2840909 0.5000000 -0.0000000), wk = 0.0027548 k( 72) = ( 0.2954545 0.5000000 -0.0000000), wk = 0.0027548 k( 73) = ( 0.3068182 0.5000000 -0.0000000), wk = 0.0027548 k( 74) = ( 0.3181818 0.5000000 -0.0000000), wk = 0.0027548 k( 75) = ( 0.3295455 0.5000000 -0.0000000), wk = 0.0027548 k( 76) = ( 0.3409091 0.5000000 -0.0000000), wk = 0.0027548 k( 77) = ( 0.3522727 0.5000000 -0.0000000), wk = 0.0027548 k( 78) = ( 0.3636364 0.5000000 -0.0000000), wk = 0.0027548 k( 79) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0027548 k( 80) = ( 0.3863636 0.5000000 -0.0000000), wk = 0.0027548 k( 81) = ( 0.3977273 0.5000000 -0.0000000), wk = 0.0027548 k( 82) = ( 0.4090909 0.5000000 -0.0000000), wk = 0.0027548 k( 83) = ( 0.4204545 0.5000000 -0.0000000), wk = 0.0027548 k( 84) = ( 0.4318182 0.5000000 -0.0000000), wk = 0.0027548 k( 85) = ( 0.4431818 0.5000000 -0.0000000), wk = 0.0027548 k( 86) = ( 0.4545455 0.5000000 -0.0000000), wk = 0.0027548 k( 87) = ( 0.4659091 0.5000000 -0.0000000), wk = 0.0027548 k( 88) = ( 0.4772727 0.5000000 -0.0000000), wk = 0.0027548 k( 89) = ( 0.4886364 0.5000000 -0.0000000), wk = 0.0027548 k( 90) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027548 k( 91) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027548 k( 92) = ( 0.4919355 0.4919355 -0.0000000), wk = 0.0027548 k( 93) = ( 0.4838710 0.4838710 -0.0000000), wk = 0.0027548 k( 94) = ( 0.4758064 0.4758064 -0.0000000), wk = 0.0027548 k( 95) = ( 0.4677419 0.4677419 -0.0000000), wk = 0.0027548 k( 96) = ( 0.4596774 0.4596774 -0.0000000), wk = 0.0027548 k( 97) = ( 0.4516129 0.4516129 -0.0000000), wk = 0.0027548 k( 98) = ( 0.4435484 0.4435484 -0.0000000), wk = 0.0027548 k( 99) = ( 0.4354839 0.4354839 -0.0000000), wk = 0.0027548 k( 100) = ( 0.4274193 0.4274193 -0.0000000), wk = 0.0027548 k( 101) = ( 0.4193548 0.4193548 -0.0000000), wk = 0.0027548 k( 102) = ( 0.4112903 0.4112903 -0.0000000), wk = 0.0027548 k( 103) = ( 0.4032258 0.4032258 -0.0000000), wk = 0.0027548 k( 104) = ( 0.3951613 0.3951613 -0.0000000), wk = 0.0027548 k( 105) = ( 0.3870968 0.3870968 -0.0000000), wk = 0.0027548 k( 106) = ( 0.3790323 0.3790323 -0.0000000), wk = 0.0027548 k( 107) = ( 0.3709677 0.3709677 -0.0000000), wk = 0.0027548 k( 108) = ( 0.3629032 0.3629032 -0.0000000), wk = 0.0027548 k( 109) = ( 0.3548387 0.3548387 -0.0000000), wk = 0.0027548 k( 110) = ( 0.3467742 0.3467742 -0.0000000), wk = 0.0027548 k( 111) = ( 0.3387097 0.3387097 -0.0000000), wk = 0.0027548 k( 112) = ( 0.3306452 0.3306452 -0.0000000), wk = 0.0027548 k( 113) = ( 0.3225807 0.3225806 -0.0000000), wk = 0.0027548 k( 114) = ( 0.3145161 0.3145161 -0.0000000), wk = 0.0027548 k( 115) = ( 0.3064516 0.3064516 -0.0000000), wk = 0.0027548 k( 116) = ( 0.2983871 0.2983871 -0.0000000), wk = 0.0027548 k( 117) = ( 0.2903226 0.2903226 -0.0000000), wk = 0.0027548 k( 118) = ( 0.2822581 0.2822581 -0.0000000), wk = 0.0027548 k( 119) = ( 0.2741936 0.2741936 -0.0000000), wk = 0.0027548 k( 120) = ( 0.2661290 0.2661290 -0.0000000), wk = 0.0027548 k( 121) = ( 0.2580645 0.2580645 -0.0000000), wk = 0.0027548 k( 122) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0027548 k( 123) = ( 0.2419355 0.2419355 -0.0000000), wk = 0.0027548 k( 124) = ( 0.2338710 0.2338710 -0.0000000), wk = 0.0027548 k( 125) = ( 0.2258064 0.2258064 -0.0000000), wk = 0.0027548 k( 126) = ( 0.2177419 0.2177419 -0.0000000), wk = 0.0027548 k( 127) = ( 0.2096774 0.2096774 -0.0000000), wk = 0.0027548 k( 128) = ( 0.2016129 0.2016129 -0.0000000), wk = 0.0027548 k( 129) = ( 0.1935484 0.1935484 -0.0000000), wk = 0.0027548 k( 130) = ( 0.1854839 0.1854839 -0.0000000), wk = 0.0027548 k( 131) = ( 0.1774194 0.1774193 -0.0000000), wk = 0.0027548 k( 132) = ( 0.1693548 0.1693548 -0.0000000), wk = 0.0027548 k( 133) = ( 0.1612903 0.1612903 -0.0000000), wk = 0.0027548 k( 134) = ( 0.1532258 0.1532258 -0.0000000), wk = 0.0027548 k( 135) = ( 0.1451613 0.1451613 -0.0000000), wk = 0.0027548 k( 136) = ( 0.1370968 0.1370968 -0.0000000), wk = 0.0027548 k( 137) = ( 0.1290323 0.1290323 -0.0000000), wk = 0.0027548 k( 138) = ( 0.1209677 0.1209677 -0.0000000), wk = 0.0027548 k( 139) = ( 0.1129032 0.1129032 -0.0000000), wk = 0.0027548 k( 140) = ( 0.1048387 0.1048387 -0.0000000), wk = 0.0027548 k( 141) = ( 0.0967742 0.0967742 -0.0000000), wk = 0.0027548 k( 142) = ( 0.0887097 0.0887097 -0.0000000), wk = 0.0027548 k( 143) = ( 0.0806452 0.0806452 -0.0000000), wk = 0.0027548 k( 144) = ( 0.0725806 0.0725806 -0.0000000), wk = 0.0027548 k( 145) = ( 0.0645161 0.0645161 -0.0000000), wk = 0.0027548 k( 146) = ( 0.0564516 0.0564516 -0.0000000), wk = 0.0027548 k( 147) = ( 0.0483871 0.0483871 -0.0000000), wk = 0.0027548 k( 148) = ( 0.0403226 0.0403226 -0.0000000), wk = 0.0027548 k( 149) = ( 0.0322581 0.0322581 -0.0000000), wk = 0.0027548 k( 150) = ( 0.0241936 0.0241935 -0.0000000), wk = 0.0027548 k( 151) = ( 0.0161290 0.0161290 -0.0000000), wk = 0.0027548 k( 152) = ( 0.0080645 0.0080645 -0.0000000), wk = 0.0027548 k( 153) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027548 k( 154) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027548 k( 155) = ( 0.0000000 0.0000000 0.0112535), wk = 0.0027548 k( 156) = ( 0.0000000 0.0000000 0.0225069), wk = 0.0027548 k( 157) = ( 0.0000000 0.0000000 0.0337604), wk = 0.0027548 k( 158) = ( 0.0000000 0.0000000 0.0450139), wk = 0.0027548 k( 159) = ( 0.0000000 0.0000000 0.0562673), wk = 0.0027548 k( 160) = ( 0.0000000 0.0000000 0.0675208), wk = 0.0027548 k( 161) = ( 0.0000000 0.0000000 0.0787743), wk = 0.0027548 k( 162) = ( 0.0000000 0.0000000 0.0900277), wk = 0.0027548 k( 163) = ( 0.0000000 0.0000000 0.1012812), wk = 0.0027548 k( 164) = ( 0.0000000 0.0000000 0.1125346), wk = 0.0027548 k( 165) = ( 0.0000000 0.0000000 0.1237881), wk = 0.0027548 k( 166) = ( 0.0000000 0.0000000 0.1350416), wk = 0.0027548 k( 167) = ( 0.0000000 0.0000000 0.1462950), wk = 0.0027548 k( 168) = ( 0.0000000 0.0000000 0.1575485), wk = 0.0027548 k( 169) = ( 0.0000000 0.0000000 0.1688020), wk = 0.0027548 k( 170) = ( 0.0000000 0.0000000 0.1800554), wk = 0.0027548 k( 171) = ( 0.0000000 0.0000000 0.1913089), wk = 0.0027548 k( 172) = ( 0.0000000 0.0000000 0.2025624), wk = 0.0027548 k( 173) = ( 0.0000000 0.0000000 0.2025624), wk = 0.0027548 k( 174) = ( 0.0000000 0.0113636 0.2025624), wk = 0.0027548 k( 175) = ( 0.0000000 0.0227273 0.2025624), wk = 0.0027548 k( 176) = ( 0.0000000 0.0340909 0.2025624), wk = 0.0027548 k( 177) = ( 0.0000000 0.0454546 0.2025624), wk = 0.0027548 k( 178) = ( 0.0000000 0.0568182 0.2025624), wk = 0.0027548 k( 179) = ( 0.0000000 0.0681818 0.2025624), wk = 0.0027548 k( 180) = ( 0.0000000 0.0795455 0.2025624), wk = 0.0027548 k( 181) = ( 0.0000000 0.0909091 0.2025624), wk = 0.0027548 k( 182) = ( 0.0000000 0.1022727 0.2025624), wk = 0.0027548 k( 183) = ( 0.0000000 0.1136364 0.2025624), wk = 0.0027548 k( 184) = ( 0.0000000 0.1250000 0.2025624), wk = 0.0027548 k( 185) = ( 0.0000000 0.1363636 0.2025624), wk = 0.0027548 k( 186) = ( 0.0000000 0.1477273 0.2025624), wk = 0.0027548 k( 187) = ( 0.0000000 0.1590909 0.2025624), wk = 0.0027548 k( 188) = ( 0.0000000 0.1704546 0.2025624), wk = 0.0027548 k( 189) = ( 0.0000000 0.1818182 0.2025624), wk = 0.0027548 k( 190) = ( 0.0000000 0.1931818 0.2025624), wk = 0.0027548 k( 191) = ( 0.0000000 0.2045454 0.2025624), wk = 0.0027548 k( 192) = ( 0.0000000 0.2159091 0.2025624), wk = 0.0027548 k( 193) = ( 0.0000000 0.2272727 0.2025624), wk = 0.0027548 k( 194) = ( 0.0000000 0.2386364 0.2025624), wk = 0.0027548 k( 195) = ( 0.0000000 0.2500000 0.2025624), wk = 0.0027548 k( 196) = ( 0.0000000 0.2613636 0.2025624), wk = 0.0027548 k( 197) = ( 0.0000000 0.2727273 0.2025624), wk = 0.0027548 k( 198) = ( 0.0000000 0.2840909 0.2025624), wk = 0.0027548 k( 199) = ( 0.0000000 0.2954545 0.2025624), wk = 0.0027548 k( 200) = ( 0.0000000 0.3068182 0.2025624), wk = 0.0027548 k( 201) = ( 0.0000000 0.3181818 0.2025624), wk = 0.0027548 k( 202) = ( 0.0000000 0.3295455 0.2025624), wk = 0.0027548 k( 203) = ( 0.0000000 0.3409091 0.2025624), wk = 0.0027548 k( 204) = ( 0.0000000 0.3522727 0.2025624), wk = 0.0027548 k( 205) = ( 0.0000000 0.3636364 0.2025624), wk = 0.0027548 k( 206) = ( 0.0000000 0.3750000 0.2025624), wk = 0.0027548 k( 207) = ( 0.0000000 0.3863636 0.2025624), wk = 0.0027548 k( 208) = ( 0.0000000 0.3977273 0.2025624), wk = 0.0027548 k( 209) = ( 0.0000000 0.4090909 0.2025624), wk = 0.0027548 k( 210) = ( 0.0000000 0.4204545 0.2025624), wk = 0.0027548 k( 211) = ( 0.0000000 0.4318182 0.2025624), wk = 0.0027548 k( 212) = ( 0.0000000 0.4431818 0.2025624), wk = 0.0027548 k( 213) = ( 0.0000000 0.4545455 0.2025624), wk = 0.0027548 k( 214) = ( 0.0000000 0.4659091 0.2025624), wk = 0.0027548 k( 215) = ( 0.0000000 0.4772727 0.2025624), wk = 0.0027548 k( 216) = ( 0.0000000 0.4886364 0.2025624), wk = 0.0027548 k( 217) = ( 0.0000000 0.5000000 0.2025624), wk = 0.0027548 k( 218) = ( 0.0000000 0.5000000 0.2025624), wk = 0.0027548 k( 219) = ( 0.0113636 0.5000000 0.2025624), wk = 0.0027548 k( 220) = ( 0.0227273 0.5000000 0.2025624), wk = 0.0027548 k( 221) = ( 0.0340909 0.5000000 0.2025624), wk = 0.0027548 k( 222) = ( 0.0454546 0.5000000 0.2025624), wk = 0.0027548 k( 223) = ( 0.0568182 0.5000000 0.2025624), wk = 0.0027548 k( 224) = ( 0.0681818 0.5000000 0.2025624), wk = 0.0027548 k( 225) = ( 0.0795455 0.5000000 0.2025624), wk = 0.0027548 k( 226) = ( 0.0909091 0.5000000 0.2025624), wk = 0.0027548 k( 227) = ( 0.1022727 0.5000000 0.2025624), wk = 0.0027548 k( 228) = ( 0.1136364 0.5000000 0.2025624), wk = 0.0027548 k( 229) = ( 0.1250000 0.5000000 0.2025624), wk = 0.0027548 k( 230) = ( 0.1363636 0.5000000 0.2025624), wk = 0.0027548 k( 231) = ( 0.1477273 0.5000000 0.2025624), wk = 0.0027548 k( 232) = ( 0.1590909 0.5000000 0.2025624), wk = 0.0027548 k( 233) = ( 0.1704546 0.5000000 0.2025624), wk = 0.0027548 k( 234) = ( 0.1818182 0.5000000 0.2025624), wk = 0.0027548 k( 235) = ( 0.1931818 0.5000000 0.2025624), wk = 0.0027548 k( 236) = ( 0.2045454 0.5000000 0.2025624), wk = 0.0027548 k( 237) = ( 0.2159091 0.5000000 0.2025624), wk = 0.0027548 k( 238) = ( 0.2272727 0.5000000 0.2025624), wk = 0.0027548 k( 239) = ( 0.2386364 0.5000000 0.2025624), wk = 0.0027548 k( 240) = ( 0.2500000 0.5000000 0.2025624), wk = 0.0027548 k( 241) = ( 0.2613636 0.5000000 0.2025624), wk = 0.0027548 k( 242) = ( 0.2727273 0.5000000 0.2025624), wk = 0.0027548 k( 243) = ( 0.2840909 0.5000000 0.2025624), wk = 0.0027548 k( 244) = ( 0.2954545 0.5000000 0.2025624), wk = 0.0027548 k( 245) = ( 0.3068182 0.5000000 0.2025624), wk = 0.0027548 k( 246) = ( 0.3181818 0.5000000 0.2025624), wk = 0.0027548 k( 247) = ( 0.3295455 0.5000000 0.2025624), wk = 0.0027548 k( 248) = ( 0.3409091 0.5000000 0.2025624), wk = 0.0027548 k( 249) = ( 0.3522727 0.5000000 0.2025624), wk = 0.0027548 k( 250) = ( 0.3636364 0.5000000 0.2025624), wk = 0.0027548 k( 251) = ( 0.3750000 0.5000000 0.2025624), wk = 0.0027548 k( 252) = ( 0.3863636 0.5000000 0.2025624), wk = 0.0027548 k( 253) = ( 0.3977273 0.5000000 0.2025624), wk = 0.0027548 k( 254) = ( 0.4090909 0.5000000 0.2025624), wk = 0.0027548 k( 255) = ( 0.4204545 0.5000000 0.2025624), wk = 0.0027548 k( 256) = ( 0.4318182 0.5000000 0.2025624), wk = 0.0027548 k( 257) = ( 0.4431818 0.5000000 0.2025624), wk = 0.0027548 k( 258) = ( 0.4545455 0.5000000 0.2025624), wk = 0.0027548 k( 259) = ( 0.4659091 0.5000000 0.2025624), wk = 0.0027548 k( 260) = ( 0.4772727 0.5000000 0.2025624), wk = 0.0027548 k( 261) = ( 0.4886364 0.5000000 0.2025624), wk = 0.0027548 k( 262) = ( 0.5000000 0.5000000 0.2025624), wk = 0.0027548 k( 263) = ( 0.5000000 0.5000000 0.2025624), wk = 0.0027548 k( 264) = ( 0.4919355 0.4919355 0.2025624), wk = 0.0027548 k( 265) = ( 0.4838710 0.4838710 0.2025624), wk = 0.0027548 k( 266) = ( 0.4758064 0.4758064 0.2025624), wk = 0.0027548 k( 267) = ( 0.4677419 0.4677419 0.2025624), wk = 0.0027548 k( 268) = ( 0.4596774 0.4596774 0.2025624), wk = 0.0027548 k( 269) = ( 0.4516129 0.4516129 0.2025624), wk = 0.0027548 k( 270) = ( 0.4435484 0.4435484 0.2025624), wk = 0.0027548 k( 271) = ( 0.4354839 0.4354839 0.2025624), wk = 0.0027548 k( 272) = ( 0.4274193 0.4274193 0.2025624), wk = 0.0027548 k( 273) = ( 0.4193548 0.4193548 0.2025624), wk = 0.0027548 k( 274) = ( 0.4112903 0.4112903 0.2025624), wk = 0.0027548 k( 275) = ( 0.4032258 0.4032258 0.2025624), wk = 0.0027548 k( 276) = ( 0.3951613 0.3951613 0.2025624), wk = 0.0027548 k( 277) = ( 0.3870968 0.3870968 0.2025624), wk = 0.0027548 k( 278) = ( 0.3790323 0.3790323 0.2025624), wk = 0.0027548 k( 279) = ( 0.3709677 0.3709677 0.2025624), wk = 0.0027548 k( 280) = ( 0.3629032 0.3629032 0.2025624), wk = 0.0027548 k( 281) = ( 0.3548387 0.3548387 0.2025624), wk = 0.0027548 k( 282) = ( 0.3467742 0.3467742 0.2025624), wk = 0.0027548 k( 283) = ( 0.3387097 0.3387097 0.2025624), wk = 0.0027548 k( 284) = ( 0.3306452 0.3306452 0.2025624), wk = 0.0027548 k( 285) = ( 0.3225807 0.3225806 0.2025624), wk = 0.0027548 k( 286) = ( 0.3145161 0.3145161 0.2025624), wk = 0.0027548 k( 287) = ( 0.3064516 0.3064516 0.2025624), wk = 0.0027548 k( 288) = ( 0.2983871 0.2983871 0.2025624), wk = 0.0027548 k( 289) = ( 0.2903226 0.2903226 0.2025624), wk = 0.0027548 k( 290) = ( 0.2822581 0.2822581 0.2025624), wk = 0.0027548 k( 291) = ( 0.2741936 0.2741936 0.2025624), wk = 0.0027548 k( 292) = ( 0.2661290 0.2661290 0.2025624), wk = 0.0027548 k( 293) = ( 0.2580645 0.2580645 0.2025624), wk = 0.0027548 k( 294) = ( 0.2500000 0.2500000 0.2025624), wk = 0.0027548 k( 295) = ( 0.2419355 0.2419355 0.2025624), wk = 0.0027548 k( 296) = ( 0.2338710 0.2338710 0.2025624), wk = 0.0027548 k( 297) = ( 0.2258064 0.2258064 0.2025624), wk = 0.0027548 k( 298) = ( 0.2177419 0.2177419 0.2025624), wk = 0.0027548 k( 299) = ( 0.2096774 0.2096774 0.2025624), wk = 0.0027548 k( 300) = ( 0.2016129 0.2016129 0.2025624), wk = 0.0027548 k( 301) = ( 0.1935484 0.1935484 0.2025624), wk = 0.0027548 k( 302) = ( 0.1854839 0.1854839 0.2025624), wk = 0.0027548 k( 303) = ( 0.1774194 0.1774193 0.2025624), wk = 0.0027548 k( 304) = ( 0.1693548 0.1693548 0.2025624), wk = 0.0027548 k( 305) = ( 0.1612903 0.1612903 0.2025624), wk = 0.0027548 k( 306) = ( 0.1532258 0.1532258 0.2025624), wk = 0.0027548 k( 307) = ( 0.1451613 0.1451613 0.2025624), wk = 0.0027548 k( 308) = ( 0.1370968 0.1370968 0.2025624), wk = 0.0027548 k( 309) = ( 0.1290323 0.1290323 0.2025624), wk = 0.0027548 k( 310) = ( 0.1209677 0.1209677 0.2025624), wk = 0.0027548 k( 311) = ( 0.1129032 0.1129032 0.2025624), wk = 0.0027548 k( 312) = ( 0.1048387 0.1048387 0.2025624), wk = 0.0027548 k( 313) = ( 0.0967742 0.0967742 0.2025624), wk = 0.0027548 k( 314) = ( 0.0887097 0.0887097 0.2025624), wk = 0.0027548 k( 315) = ( 0.0806452 0.0806452 0.2025624), wk = 0.0027548 k( 316) = ( 0.0725806 0.0725806 0.2025624), wk = 0.0027548 k( 317) = ( 0.0645161 0.0645161 0.2025624), wk = 0.0027548 k( 318) = ( 0.0564516 0.0564516 0.2025624), wk = 0.0027548 k( 319) = ( 0.0483871 0.0483871 0.2025624), wk = 0.0027548 k( 320) = ( 0.0403226 0.0403226 0.2025624), wk = 0.0027548 k( 321) = ( 0.0322581 0.0322581 0.2025624), wk = 0.0027548 k( 322) = ( 0.0241936 0.0241935 0.2025624), wk = 0.0027548 k( 323) = ( 0.0161290 0.0161290 0.2025624), wk = 0.0027548 k( 324) = ( 0.0080645 0.0080645 0.2025624), wk = 0.0027548 k( 325) = ( 0.0000000 0.0000000 0.2025624), wk = 0.0027548 k( 326) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027548 k( 327) = ( 0.0000000 0.5000000 0.0112535), wk = 0.0027548 k( 328) = ( 0.0000000 0.5000000 0.0225069), wk = 0.0027548 k( 329) = ( 0.0000000 0.5000000 0.0337604), wk = 0.0027548 k( 330) = ( 0.0000000 0.5000000 0.0450139), wk = 0.0027548 k( 331) = ( 0.0000000 0.5000000 0.0562673), wk = 0.0027548 k( 332) = ( 0.0000000 0.5000000 0.0675208), wk = 0.0027548 k( 333) = ( 0.0000000 0.5000000 0.0787743), wk = 0.0027548 k( 334) = ( 0.0000000 0.5000000 0.0900277), wk = 0.0027548 k( 335) = ( 0.0000000 0.5000000 0.1012812), wk = 0.0027548 k( 336) = ( 0.0000000 0.5000000 0.1125346), wk = 0.0027548 k( 337) = ( 0.0000000 0.5000000 0.1237881), wk = 0.0027548 k( 338) = ( 0.0000000 0.5000000 0.1350416), wk = 0.0027548 k( 339) = ( 0.0000000 0.5000000 0.1462950), wk = 0.0027548 k( 340) = ( 0.0000000 0.5000000 0.1575485), wk = 0.0027548 k( 341) = ( 0.0000000 0.5000000 0.1688020), wk = 0.0027548 k( 342) = ( 0.0000000 0.5000000 0.1800554), wk = 0.0027548 k( 343) = ( 0.0000000 0.5000000 0.1913089), wk = 0.0027548 k( 344) = ( 0.0000000 0.5000000 0.2025624), wk = 0.0027548 k( 345) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027548 k( 346) = ( 0.5000000 0.5000000 0.0112535), wk = 0.0027548 k( 347) = ( 0.5000000 0.5000000 0.0225069), wk = 0.0027548 k( 348) = ( 0.5000000 0.5000000 0.0337604), wk = 0.0027548 k( 349) = ( 0.5000000 0.5000000 0.0450139), wk = 0.0027548 k( 350) = ( 0.5000000 0.5000000 0.0562673), wk = 0.0027548 k( 351) = ( 0.5000000 0.5000000 0.0675208), wk = 0.0027548 k( 352) = ( 0.5000000 0.5000000 0.0787743), wk = 0.0027548 k( 353) = ( 0.5000000 0.5000000 0.0900277), wk = 0.0027548 k( 354) = ( 0.5000000 0.5000000 0.1012812), wk = 0.0027548 k( 355) = ( 0.5000000 0.5000000 0.1125346), wk = 0.0027548 k( 356) = ( 0.5000000 0.5000000 0.1237881), wk = 0.0027548 k( 357) = ( 0.5000000 0.5000000 0.1350416), wk = 0.0027548 k( 358) = ( 0.5000000 0.5000000 0.1462950), wk = 0.0027548 k( 359) = ( 0.5000000 0.5000000 0.1575485), wk = 0.0027548 k( 360) = ( 0.5000000 0.5000000 0.1688020), wk = 0.0027548 k( 361) = ( 0.5000000 0.5000000 0.1800554), wk = 0.0027548 k( 362) = ( 0.5000000 0.5000000 0.1913089), wk = 0.0027548 k( 363) = ( 0.5000000 0.5000000 0.2025624), wk = 0.0027548 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027548 k( 2) = ( 0.0000000 0.0113636 -0.0000000), wk = 0.0027548 k( 3) = ( 0.0000000 0.0227273 0.0000000), wk = 0.0027548 k( 4) = ( 0.0000000 0.0340909 0.0000000), wk = 0.0027548 k( 5) = ( 0.0000000 0.0454546 -0.0000000), wk = 0.0027548 k( 6) = ( 0.0000000 0.0568182 -0.0000000), wk = 0.0027548 k( 7) = ( 0.0000000 0.0681818 0.0000000), wk = 0.0027548 k( 8) = ( 0.0000000 0.0795455 -0.0000000), wk = 0.0027548 k( 9) = ( 0.0000000 0.0909091 -0.0000000), wk = 0.0027548 k( 10) = ( 0.0000000 0.1022727 0.0000000), wk = 0.0027548 k( 11) = ( 0.0000000 0.1136364 -0.0000000), wk = 0.0027548 k( 12) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0027548 k( 13) = ( 0.0000000 0.1363636 0.0000000), wk = 0.0027548 k( 14) = ( 0.0000000 0.1477273 0.0000000), wk = 0.0027548 k( 15) = ( 0.0000000 0.1590909 0.0000000), wk = 0.0027548 k( 16) = ( 0.0000000 0.1704546 0.0000000), wk = 0.0027548 k( 17) = ( 0.0000000 0.1818182 -0.0000000), wk = 0.0027548 k( 18) = ( 0.0000000 0.1931818 0.0000000), wk = 0.0027548 k( 19) = ( 0.0000000 0.2045454 -0.0000000), wk = 0.0027548 k( 20) = ( 0.0000000 0.2159091 0.0000000), wk = 0.0027548 k( 21) = ( 0.0000000 0.2272727 0.0000000), wk = 0.0027548 k( 22) = ( 0.0000000 0.2386364 0.0000000), wk = 0.0027548 k( 23) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0027548 k( 24) = ( 0.0000000 0.2613636 -0.0000000), wk = 0.0027548 k( 25) = ( 0.0000000 0.2727273 0.0000000), wk = 0.0027548 k( 26) = ( 0.0000000 0.2840909 0.0000000), wk = 0.0027548 k( 27) = ( 0.0000000 0.2954545 0.0000000), wk = 0.0027548 k( 28) = ( 0.0000000 0.3068182 0.0000000), wk = 0.0027548 k( 29) = ( 0.0000000 0.3181818 0.0000000), wk = 0.0027548 k( 30) = ( 0.0000000 0.3295455 0.0000000), wk = 0.0027548 k( 31) = ( 0.0000000 0.3409091 0.0000000), wk = 0.0027548 k( 32) = ( 0.0000000 0.3522727 0.0000000), wk = 0.0027548 k( 33) = ( 0.0000000 0.3636364 -0.0000000), wk = 0.0027548 k( 34) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0027548 k( 35) = ( 0.0000000 0.3863636 0.0000000), wk = 0.0027548 k( 36) = ( 0.0000000 0.3977273 0.0000000), wk = 0.0027548 k( 37) = ( 0.0000000 0.4090909 -0.0000000), wk = 0.0027548 k( 38) = ( 0.0000000 0.4204545 -0.0000000), wk = 0.0027548 k( 39) = ( 0.0000000 0.4318182 0.0000000), wk = 0.0027548 k( 40) = ( 0.0000000 0.4431818 -0.0000000), wk = 0.0027548 k( 41) = ( 0.0000000 0.4545455 0.0000000), wk = 0.0027548 k( 42) = ( 0.0000000 0.4659091 0.0000000), wk = 0.0027548 k( 43) = ( 0.0000000 0.4772727 0.0000000), wk = 0.0027548 k( 44) = ( 0.0000000 0.4886364 -0.0000000), wk = 0.0027548 k( 45) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027548 k( 46) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027548 k( 47) = ( 0.0113636 0.5000000 -0.0000000), wk = 0.0027548 k( 48) = ( 0.0227273 0.5000000 -0.0000000), wk = 0.0027548 k( 49) = ( 0.0340909 0.5000000 0.0000000), wk = 0.0027548 k( 50) = ( 0.0454546 0.5000000 0.0000000), wk = 0.0027548 k( 51) = ( 0.0568182 0.5000000 0.0000000), wk = 0.0027548 k( 52) = ( 0.0681818 0.5000000 0.0000000), wk = 0.0027548 k( 53) = ( 0.0795455 0.5000000 0.0000000), wk = 0.0027548 k( 54) = ( 0.0909091 0.5000000 0.0000000), wk = 0.0027548 k( 55) = ( 0.1022727 0.5000000 0.0000000), wk = 0.0027548 k( 56) = ( 0.1136364 0.5000000 0.0000000), wk = 0.0027548 k( 57) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0027548 k( 58) = ( 0.1363636 0.5000000 0.0000000), wk = 0.0027548 k( 59) = ( 0.1477273 0.5000000 0.0000000), wk = 0.0027548 k( 60) = ( 0.1590909 0.5000000 0.0000000), wk = 0.0027548 k( 61) = ( 0.1704546 0.5000000 -0.0000000), wk = 0.0027548 k( 62) = ( 0.1818182 0.5000000 0.0000000), wk = 0.0027548 k( 63) = ( 0.1931818 0.5000000 0.0000000), wk = 0.0027548 k( 64) = ( 0.2045454 0.5000000 0.0000000), wk = 0.0027548 k( 65) = ( 0.2159091 0.5000000 0.0000000), wk = 0.0027548 k( 66) = ( 0.2272727 0.5000000 0.0000000), wk = 0.0027548 k( 67) = ( 0.2386364 0.5000000 0.0000000), wk = 0.0027548 k( 68) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0027548 k( 69) = ( 0.2613636 0.5000000 0.0000000), wk = 0.0027548 k( 70) = ( 0.2727273 0.5000000 0.0000000), wk = 0.0027548 k( 71) = ( 0.2840909 0.5000000 -0.0000000), wk = 0.0027548 k( 72) = ( 0.2954545 0.5000000 -0.0000000), wk = 0.0027548 k( 73) = ( 0.3068182 0.5000000 -0.0000000), wk = 0.0027548 k( 74) = ( 0.3181818 0.5000000 -0.0000000), wk = 0.0027548 k( 75) = ( 0.3295455 0.5000000 0.0000000), wk = 0.0027548 k( 76) = ( 0.3409091 0.5000000 -0.0000000), wk = 0.0027548 k( 77) = ( 0.3522727 0.5000000 -0.0000000), wk = 0.0027548 k( 78) = ( 0.3636364 0.5000000 -0.0000000), wk = 0.0027548 k( 79) = ( 0.3750000 0.5000000 0.0000000), wk = 0.0027548 k( 80) = ( 0.3863636 0.5000000 0.0000000), wk = 0.0027548 k( 81) = ( 0.3977273 0.5000000 -0.0000000), wk = 0.0027548 k( 82) = ( 0.4090909 0.5000000 -0.0000000), wk = 0.0027548 k( 83) = ( 0.4204545 0.5000000 -0.0000000), wk = 0.0027548 k( 84) = ( 0.4318182 0.5000000 0.0000000), wk = 0.0027548 k( 85) = ( 0.4431818 0.5000000 -0.0000000), wk = 0.0027548 k( 86) = ( 0.4545455 0.5000000 0.0000000), wk = 0.0027548 k( 87) = ( 0.4659091 0.5000000 0.0000000), wk = 0.0027548 k( 88) = ( 0.4772727 0.5000000 -0.0000000), wk = 0.0027548 k( 89) = ( 0.4886364 0.5000000 -0.0000000), wk = 0.0027548 k( 90) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027548 k( 91) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027548 k( 92) = ( 0.4919355 0.4919355 -0.0000000), wk = 0.0027548 k( 93) = ( 0.4838710 0.4838710 -0.0000000), wk = 0.0027548 k( 94) = ( 0.4758064 0.4758064 -0.0000000), wk = 0.0027548 k( 95) = ( 0.4677419 0.4677419 -0.0000000), wk = 0.0027548 k( 96) = ( 0.4596774 0.4596774 -0.0000000), wk = 0.0027548 k( 97) = ( 0.4516129 0.4516129 0.0000000), wk = 0.0027548 k( 98) = ( 0.4435484 0.4435484 -0.0000000), wk = 0.0027548 k( 99) = ( 0.4354839 0.4354839 0.0000000), wk = 0.0027548 k( 100) = ( 0.4274193 0.4274193 0.0000000), wk = 0.0027548 k( 101) = ( 0.4193548 0.4193548 -0.0000000), wk = 0.0027548 k( 102) = ( 0.4112903 0.4112903 0.0000000), wk = 0.0027548 k( 103) = ( 0.4032258 0.4032258 0.0000000), wk = 0.0027548 k( 104) = ( 0.3951613 0.3951613 -0.0000000), wk = 0.0027548 k( 105) = ( 0.3870968 0.3870968 -0.0000000), wk = 0.0027548 k( 106) = ( 0.3790323 0.3790323 -0.0000000), wk = 0.0027548 k( 107) = ( 0.3709677 0.3709677 0.0000000), wk = 0.0027548 k( 108) = ( 0.3629032 0.3629032 0.0000000), wk = 0.0027548 k( 109) = ( 0.3548387 0.3548387 0.0000000), wk = 0.0027548 k( 110) = ( 0.3467742 0.3467742 -0.0000000), wk = 0.0027548 k( 111) = ( 0.3387097 0.3387097 -0.0000000), wk = 0.0027548 k( 112) = ( 0.3306452 0.3306452 0.0000000), wk = 0.0027548 k( 113) = ( 0.3225807 0.3225807 -0.0000000), wk = 0.0027548 k( 114) = ( 0.3145161 0.3145161 0.0000000), wk = 0.0027548 k( 115) = ( 0.3064516 0.3064516 0.0000000), wk = 0.0027548 k( 116) = ( 0.2983871 0.2983871 -0.0000000), wk = 0.0027548 k( 117) = ( 0.2903226 0.2903226 0.0000000), wk = 0.0027548 k( 118) = ( 0.2822581 0.2822581 0.0000000), wk = 0.0027548 k( 119) = ( 0.2741936 0.2741936 0.0000000), wk = 0.0027548 k( 120) = ( 0.2661290 0.2661290 0.0000000), wk = 0.0027548 k( 121) = ( 0.2580645 0.2580645 0.0000000), wk = 0.0027548 k( 122) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0027548 k( 123) = ( 0.2419355 0.2419355 0.0000000), wk = 0.0027548 k( 124) = ( 0.2338710 0.2338710 -0.0000000), wk = 0.0027548 k( 125) = ( 0.2258064 0.2258064 0.0000000), wk = 0.0027548 k( 126) = ( 0.2177419 0.2177419 -0.0000000), wk = 0.0027548 k( 127) = ( 0.2096774 0.2096774 -0.0000000), wk = 0.0027548 k( 128) = ( 0.2016129 0.2016129 0.0000000), wk = 0.0027548 k( 129) = ( 0.1935484 0.1935484 -0.0000000), wk = 0.0027548 k( 130) = ( 0.1854839 0.1854839 0.0000000), wk = 0.0027548 k( 131) = ( 0.1774194 0.1774194 -0.0000000), wk = 0.0027548 k( 132) = ( 0.1693548 0.1693548 -0.0000000), wk = 0.0027548 k( 133) = ( 0.1612903 0.1612903 0.0000000), wk = 0.0027548 k( 134) = ( 0.1532258 0.1532258 -0.0000000), wk = 0.0027548 k( 135) = ( 0.1451613 0.1451613 0.0000000), wk = 0.0027548 k( 136) = ( 0.1370968 0.1370968 0.0000000), wk = 0.0027548 k( 137) = ( 0.1290323 0.1290323 0.0000000), wk = 0.0027548 k( 138) = ( 0.1209677 0.1209677 0.0000000), wk = 0.0027548 k( 139) = ( 0.1129032 0.1129032 -0.0000000), wk = 0.0027548 k( 140) = ( 0.1048387 0.1048387 -0.0000000), wk = 0.0027548 k( 141) = ( 0.0967742 0.0967742 0.0000000), wk = 0.0027548 k( 142) = ( 0.0887097 0.0887097 0.0000000), wk = 0.0027548 k( 143) = ( 0.0806452 0.0806452 0.0000000), wk = 0.0027548 k( 144) = ( 0.0725806 0.0725806 0.0000000), wk = 0.0027548 k( 145) = ( 0.0645161 0.0645161 0.0000000), wk = 0.0027548 k( 146) = ( 0.0564516 0.0564516 0.0000000), wk = 0.0027548 k( 147) = ( 0.0483871 0.0483871 0.0000000), wk = 0.0027548 k( 148) = ( 0.0403226 0.0403226 0.0000000), wk = 0.0027548 k( 149) = ( 0.0322581 0.0322581 0.0000000), wk = 0.0027548 k( 150) = ( 0.0241936 0.0241936 0.0000000), wk = 0.0027548 k( 151) = ( 0.0161290 0.0161290 0.0000000), wk = 0.0027548 k( 152) = ( 0.0080645 0.0080645 0.0000000), wk = 0.0027548 k( 153) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027548 k( 154) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027548 k( 155) = ( 0.0000000 0.0000000 0.0277778), wk = 0.0027548 k( 156) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0027548 k( 157) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0027548 k( 158) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0027548 k( 159) = ( 0.0000000 0.0000000 0.1388889), wk = 0.0027548 k( 160) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0027548 k( 161) = ( 0.0000000 0.0000000 0.1944444), wk = 0.0027548 k( 162) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0027548 k( 163) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0027548 k( 164) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0027548 k( 165) = ( 0.0000000 0.0000000 0.3055556), wk = 0.0027548 k( 166) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0027548 k( 167) = ( 0.0000000 0.0000000 0.3611111), wk = 0.0027548 k( 168) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0027548 k( 169) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0027548 k( 170) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0027548 k( 171) = ( 0.0000000 0.0000000 0.4722222), wk = 0.0027548 k( 172) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027548 k( 173) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027548 k( 174) = ( 0.0000000 0.0113636 0.5000000), wk = 0.0027548 k( 175) = ( 0.0000000 0.0227273 0.5000000), wk = 0.0027548 k( 176) = ( 0.0000000 0.0340909 0.5000000), wk = 0.0027548 k( 177) = ( 0.0000000 0.0454546 0.5000000), wk = 0.0027548 k( 178) = ( 0.0000000 0.0568182 0.5000000), wk = 0.0027548 k( 179) = ( 0.0000000 0.0681818 0.5000000), wk = 0.0027548 k( 180) = ( 0.0000000 0.0795455 0.5000000), wk = 0.0027548 k( 181) = ( 0.0000000 0.0909091 0.5000000), wk = 0.0027548 k( 182) = ( 0.0000000 0.1022727 0.5000000), wk = 0.0027548 k( 183) = ( 0.0000000 0.1136364 0.5000000), wk = 0.0027548 k( 184) = ( 0.0000000 0.1250000 0.5000000), wk = 0.0027548 k( 185) = ( 0.0000000 0.1363636 0.5000000), wk = 0.0027548 k( 186) = ( 0.0000000 0.1477273 0.5000000), wk = 0.0027548 k( 187) = ( 0.0000000 0.1590909 0.5000000), wk = 0.0027548 k( 188) = ( 0.0000000 0.1704546 0.5000000), wk = 0.0027548 k( 189) = ( 0.0000000 0.1818182 0.5000000), wk = 0.0027548 k( 190) = ( 0.0000000 0.1931818 0.5000000), wk = 0.0027548 k( 191) = ( 0.0000000 0.2045454 0.5000000), wk = 0.0027548 k( 192) = ( 0.0000000 0.2159091 0.5000000), wk = 0.0027548 k( 193) = ( 0.0000000 0.2272727 0.5000000), wk = 0.0027548 k( 194) = ( 0.0000000 0.2386364 0.5000000), wk = 0.0027548 k( 195) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0027548 k( 196) = ( 0.0000000 0.2613636 0.5000000), wk = 0.0027548 k( 197) = ( 0.0000000 0.2727273 0.5000000), wk = 0.0027548 k( 198) = ( 0.0000000 0.2840909 0.5000000), wk = 0.0027548 k( 199) = ( 0.0000000 0.2954545 0.5000000), wk = 0.0027548 k( 200) = ( 0.0000000 0.3068182 0.5000000), wk = 0.0027548 k( 201) = ( 0.0000000 0.3181818 0.5000000), wk = 0.0027548 k( 202) = ( 0.0000000 0.3295455 0.5000000), wk = 0.0027548 k( 203) = ( 0.0000000 0.3409091 0.5000000), wk = 0.0027548 k( 204) = ( 0.0000000 0.3522727 0.5000000), wk = 0.0027548 k( 205) = ( 0.0000000 0.3636364 0.5000000), wk = 0.0027548 k( 206) = ( 0.0000000 0.3750000 0.5000000), wk = 0.0027548 k( 207) = ( 0.0000000 0.3863636 0.5000000), wk = 0.0027548 k( 208) = ( 0.0000000 0.3977273 0.5000000), wk = 0.0027548 k( 209) = ( 0.0000000 0.4090909 0.5000000), wk = 0.0027548 k( 210) = ( 0.0000000 0.4204545 0.5000000), wk = 0.0027548 k( 211) = ( 0.0000000 0.4318182 0.5000000), wk = 0.0027548 k( 212) = ( 0.0000000 0.4431818 0.5000000), wk = 0.0027548 k( 213) = ( 0.0000000 0.4545455 0.5000000), wk = 0.0027548 k( 214) = ( 0.0000000 0.4659091 0.5000000), wk = 0.0027548 k( 215) = ( 0.0000000 0.4772727 0.5000000), wk = 0.0027548 k( 216) = ( 0.0000000 0.4886364 0.5000000), wk = 0.0027548 k( 217) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027548 k( 218) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027548 k( 219) = ( 0.0113636 0.5000000 0.5000000), wk = 0.0027548 k( 220) = ( 0.0227273 0.5000000 0.5000000), wk = 0.0027548 k( 221) = ( 0.0340909 0.5000000 0.5000000), wk = 0.0027548 k( 222) = ( 0.0454546 0.5000000 0.5000000), wk = 0.0027548 k( 223) = ( 0.0568182 0.5000000 0.5000000), wk = 0.0027548 k( 224) = ( 0.0681818 0.5000000 0.5000000), wk = 0.0027548 k( 225) = ( 0.0795455 0.5000000 0.5000000), wk = 0.0027548 k( 226) = ( 0.0909091 0.5000000 0.5000000), wk = 0.0027548 k( 227) = ( 0.1022727 0.5000000 0.5000000), wk = 0.0027548 k( 228) = ( 0.1136364 0.5000000 0.5000000), wk = 0.0027548 k( 229) = ( 0.1250000 0.5000000 0.5000000), wk = 0.0027548 k( 230) = ( 0.1363636 0.5000000 0.5000000), wk = 0.0027548 k( 231) = ( 0.1477273 0.5000000 0.5000000), wk = 0.0027548 k( 232) = ( 0.1590909 0.5000000 0.5000000), wk = 0.0027548 k( 233) = ( 0.1704546 0.5000000 0.5000000), wk = 0.0027548 k( 234) = ( 0.1818182 0.5000000 0.5000000), wk = 0.0027548 k( 235) = ( 0.1931818 0.5000000 0.5000000), wk = 0.0027548 k( 236) = ( 0.2045454 0.5000000 0.5000000), wk = 0.0027548 k( 237) = ( 0.2159091 0.5000000 0.5000000), wk = 0.0027548 k( 238) = ( 0.2272727 0.5000000 0.5000000), wk = 0.0027548 k( 239) = ( 0.2386364 0.5000000 0.5000000), wk = 0.0027548 k( 240) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0027548 k( 241) = ( 0.2613636 0.5000000 0.5000000), wk = 0.0027548 k( 242) = ( 0.2727273 0.5000000 0.5000000), wk = 0.0027548 k( 243) = ( 0.2840909 0.5000000 0.5000000), wk = 0.0027548 k( 244) = ( 0.2954545 0.5000000 0.5000000), wk = 0.0027548 k( 245) = ( 0.3068182 0.5000000 0.5000000), wk = 0.0027548 k( 246) = ( 0.3181818 0.5000000 0.5000000), wk = 0.0027548 k( 247) = ( 0.3295455 0.5000000 0.5000000), wk = 0.0027548 k( 248) = ( 0.3409091 0.5000000 0.5000000), wk = 0.0027548 k( 249) = ( 0.3522727 0.5000000 0.5000000), wk = 0.0027548 k( 250) = ( 0.3636364 0.5000000 0.5000000), wk = 0.0027548 k( 251) = ( 0.3750000 0.5000000 0.5000000), wk = 0.0027548 k( 252) = ( 0.3863636 0.5000000 0.5000000), wk = 0.0027548 k( 253) = ( 0.3977273 0.5000000 0.5000000), wk = 0.0027548 k( 254) = ( 0.4090909 0.5000000 0.5000000), wk = 0.0027548 k( 255) = ( 0.4204545 0.5000000 0.5000000), wk = 0.0027548 k( 256) = ( 0.4318182 0.5000000 0.5000000), wk = 0.0027548 k( 257) = ( 0.4431818 0.5000000 0.5000000), wk = 0.0027548 k( 258) = ( 0.4545455 0.5000000 0.5000000), wk = 0.0027548 k( 259) = ( 0.4659091 0.5000000 0.5000000), wk = 0.0027548 k( 260) = ( 0.4772727 0.5000000 0.5000000), wk = 0.0027548 k( 261) = ( 0.4886364 0.5000000 0.5000000), wk = 0.0027548 k( 262) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027548 k( 263) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027548 k( 264) = ( 0.4919355 0.4919355 0.5000000), wk = 0.0027548 k( 265) = ( 0.4838710 0.4838710 0.5000000), wk = 0.0027548 k( 266) = ( 0.4758064 0.4758064 0.5000000), wk = 0.0027548 k( 267) = ( 0.4677419 0.4677419 0.5000000), wk = 0.0027548 k( 268) = ( 0.4596774 0.4596774 0.5000000), wk = 0.0027548 k( 269) = ( 0.4516129 0.4516129 0.5000000), wk = 0.0027548 k( 270) = ( 0.4435484 0.4435484 0.5000000), wk = 0.0027548 k( 271) = ( 0.4354839 0.4354839 0.5000000), wk = 0.0027548 k( 272) = ( 0.4274193 0.4274193 0.5000000), wk = 0.0027548 k( 273) = ( 0.4193548 0.4193548 0.5000000), wk = 0.0027548 k( 274) = ( 0.4112903 0.4112903 0.5000000), wk = 0.0027548 k( 275) = ( 0.4032258 0.4032258 0.5000000), wk = 0.0027548 k( 276) = ( 0.3951613 0.3951613 0.5000000), wk = 0.0027548 k( 277) = ( 0.3870968 0.3870968 0.5000000), wk = 0.0027548 k( 278) = ( 0.3790323 0.3790323 0.5000000), wk = 0.0027548 k( 279) = ( 0.3709677 0.3709677 0.5000000), wk = 0.0027548 k( 280) = ( 0.3629032 0.3629032 0.5000000), wk = 0.0027548 k( 281) = ( 0.3548387 0.3548387 0.5000000), wk = 0.0027548 k( 282) = ( 0.3467742 0.3467742 0.5000000), wk = 0.0027548 k( 283) = ( 0.3387097 0.3387097 0.5000000), wk = 0.0027548 k( 284) = ( 0.3306452 0.3306452 0.5000000), wk = 0.0027548 k( 285) = ( 0.3225807 0.3225807 0.5000000), wk = 0.0027548 k( 286) = ( 0.3145161 0.3145161 0.5000000), wk = 0.0027548 k( 287) = ( 0.3064516 0.3064516 0.5000000), wk = 0.0027548 k( 288) = ( 0.2983871 0.2983871 0.5000000), wk = 0.0027548 k( 289) = ( 0.2903226 0.2903226 0.5000000), wk = 0.0027548 k( 290) = ( 0.2822581 0.2822581 0.5000000), wk = 0.0027548 k( 291) = ( 0.2741936 0.2741936 0.5000000), wk = 0.0027548 k( 292) = ( 0.2661290 0.2661290 0.5000000), wk = 0.0027548 k( 293) = ( 0.2580645 0.2580645 0.5000000), wk = 0.0027548 k( 294) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0027548 k( 295) = ( 0.2419355 0.2419355 0.5000000), wk = 0.0027548 k( 296) = ( 0.2338710 0.2338710 0.5000000), wk = 0.0027548 k( 297) = ( 0.2258064 0.2258064 0.5000000), wk = 0.0027548 k( 298) = ( 0.2177419 0.2177419 0.5000000), wk = 0.0027548 k( 299) = ( 0.2096774 0.2096774 0.5000000), wk = 0.0027548 k( 300) = ( 0.2016129 0.2016129 0.5000000), wk = 0.0027548 k( 301) = ( 0.1935484 0.1935484 0.5000000), wk = 0.0027548 k( 302) = ( 0.1854839 0.1854839 0.5000000), wk = 0.0027548 k( 303) = ( 0.1774194 0.1774194 0.5000000), wk = 0.0027548 k( 304) = ( 0.1693548 0.1693548 0.5000000), wk = 0.0027548 k( 305) = ( 0.1612903 0.1612903 0.5000000), wk = 0.0027548 k( 306) = ( 0.1532258 0.1532258 0.5000000), wk = 0.0027548 k( 307) = ( 0.1451613 0.1451613 0.5000000), wk = 0.0027548 k( 308) = ( 0.1370968 0.1370968 0.5000000), wk = 0.0027548 k( 309) = ( 0.1290323 0.1290323 0.5000000), wk = 0.0027548 k( 310) = ( 0.1209677 0.1209677 0.5000000), wk = 0.0027548 k( 311) = ( 0.1129032 0.1129032 0.5000000), wk = 0.0027548 k( 312) = ( 0.1048387 0.1048387 0.5000000), wk = 0.0027548 k( 313) = ( 0.0967742 0.0967742 0.5000000), wk = 0.0027548 k( 314) = ( 0.0887097 0.0887097 0.5000000), wk = 0.0027548 k( 315) = ( 0.0806452 0.0806452 0.5000000), wk = 0.0027548 k( 316) = ( 0.0725806 0.0725806 0.5000000), wk = 0.0027548 k( 317) = ( 0.0645161 0.0645161 0.5000000), wk = 0.0027548 k( 318) = ( 0.0564516 0.0564516 0.5000000), wk = 0.0027548 k( 319) = ( 0.0483871 0.0483871 0.5000000), wk = 0.0027548 k( 320) = ( 0.0403226 0.0403226 0.5000000), wk = 0.0027548 k( 321) = ( 0.0322581 0.0322581 0.5000000), wk = 0.0027548 k( 322) = ( 0.0241936 0.0241936 0.5000000), wk = 0.0027548 k( 323) = ( 0.0161290 0.0161290 0.5000000), wk = 0.0027548 k( 324) = ( 0.0080645 0.0080645 0.5000000), wk = 0.0027548 k( 325) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027548 k( 326) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027548 k( 327) = ( 0.0000000 0.5000000 0.0277778), wk = 0.0027548 k( 328) = ( 0.0000000 0.5000000 0.0555556), wk = 0.0027548 k( 329) = ( 0.0000000 0.5000000 0.0833333), wk = 0.0027548 k( 330) = ( 0.0000000 0.5000000 0.1111111), wk = 0.0027548 k( 331) = ( 0.0000000 0.5000000 0.1388889), wk = 0.0027548 k( 332) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0027548 k( 333) = ( 0.0000000 0.5000000 0.1944444), wk = 0.0027548 k( 334) = ( 0.0000000 0.5000000 0.2222222), wk = 0.0027548 k( 335) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0027548 k( 336) = ( 0.0000000 0.5000000 0.2777778), wk = 0.0027548 k( 337) = ( 0.0000000 0.5000000 0.3055556), wk = 0.0027548 k( 338) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0027548 k( 339) = ( 0.0000000 0.5000000 0.3611111), wk = 0.0027548 k( 340) = ( 0.0000000 0.5000000 0.3888889), wk = 0.0027548 k( 341) = ( 0.0000000 0.5000000 0.4166667), wk = 0.0027548 k( 342) = ( 0.0000000 0.5000000 0.4444444), wk = 0.0027548 k( 343) = ( 0.0000000 0.5000000 0.4722222), wk = 0.0027548 k( 344) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027548 k( 345) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027548 k( 346) = ( 0.5000000 0.5000000 0.0277778), wk = 0.0027548 k( 347) = ( 0.5000000 0.5000000 0.0555556), wk = 0.0027548 k( 348) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0027548 k( 349) = ( 0.5000000 0.5000000 0.1111111), wk = 0.0027548 k( 350) = ( 0.5000000 0.5000000 0.1388889), wk = 0.0027548 k( 351) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0027548 k( 352) = ( 0.5000000 0.5000000 0.1944444), wk = 0.0027548 k( 353) = ( 0.5000000 0.5000000 0.2222222), wk = 0.0027548 k( 354) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0027548 k( 355) = ( 0.5000000 0.5000000 0.2777778), wk = 0.0027548 k( 356) = ( 0.5000000 0.5000000 0.3055556), wk = 0.0027548 k( 357) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0027548 k( 358) = ( 0.5000000 0.5000000 0.3611111), wk = 0.0027548 k( 359) = ( 0.5000000 0.5000000 0.3888889), wk = 0.0027548 k( 360) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0027548 k( 361) = ( 0.5000000 0.5000000 0.4444444), wk = 0.0027548 k( 362) = ( 0.5000000 0.5000000 0.4722222), wk = 0.0027548 k( 363) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027548 Dense grid: 47269 G-vectors FFT dimensions: ( 36, 36, 81) Smooth grid: 36863 G-vectors FFT dimensions: ( 32, 32, 75) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.23 Mb ( 262, 58) NL pseudopotentials 0.47 Mb ( 131, 236) Each V/rho on FFT grid 0.06 Mb ( 3888) Each G-vector array 0.01 Mb ( 1314) G-vector shells 0.01 Mb ( 669) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.93 Mb ( 262, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.42 Mb ( 236, 2, 58) The potential is recalculated from file : ./ZrNiP2.save/charge-density.dat Starting wfc are 104 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 3.2 secs Computing kpt #: 3 total cpu time spent up to now is 3.8 secs Computing kpt #: 4 total cpu time spent up to now is 4.5 secs Computing kpt #: 5 total cpu time spent up to now is 5.1 secs Computing kpt #: 6 total cpu time spent up to now is 5.8 secs Computing kpt #: 7 total cpu time spent up to now is 6.5 secs Computing kpt #: 8 total cpu time spent up to now is 7.2 secs Computing kpt #: 9 total cpu time spent up to now is 8.4 secs Computing kpt #: 10 total cpu time spent up to now is 9.6 secs Computing kpt #: 11 total cpu time spent up to now is 10.5 secs Computing kpt #: 12 total cpu time spent up to now is 11.4 secs Computing kpt #: 13 total cpu time spent up to now is 12.2 secs Computing kpt #: 14 total cpu time spent up to now is 12.8 secs Computing kpt #: 15 total cpu time spent up to now is 13.5 secs Computing kpt #: 16 total cpu time spent up to now is 14.2 secs Computing kpt #: 17 total cpu time spent up to now is 14.9 secs Computing kpt #: 18 total cpu time spent up to now is 15.6 secs Computing kpt #: 19 total cpu time spent up to now is 16.3 secs Computing kpt #: 20 total cpu time spent up to now is 17.0 secs Computing kpt #: 21 total cpu time spent up to now is 17.6 secs Computing kpt #: 22 total cpu time spent up to now is 18.3 secs Computing kpt #: 23 total cpu time spent up to now is 18.9 secs Computing kpt #: 24 total cpu time spent up to now is 19.6 secs Computing kpt #: 25 total cpu time spent up to now is 20.2 secs Computing kpt #: 26 total cpu time spent up to now is 20.9 secs Computing kpt #: 27 total cpu time spent up to now is 21.6 secs Computing kpt #: 28 total cpu time spent up to now is 22.4 secs Computing kpt #: 29 total cpu time spent up to now is 23.1 secs Computing kpt #: 30 total cpu time spent up to now is 23.8 secs Computing kpt #: 31 total cpu time spent up to now is 24.6 secs Computing kpt #: 32 total cpu time spent up to now is 25.2 secs Computing kpt #: 33 total cpu time spent up to now is 25.9 secs Computing kpt #: 34 total cpu time spent up to now is 26.5 secs Computing kpt #: 35 total cpu time spent up to now is 27.1 secs Computing kpt #: 36 total cpu time spent up to now is 27.8 secs Computing kpt #: 37 total cpu time spent up to now is 28.4 secs Computing kpt #: 38 total cpu time spent up to now is 29.1 secs Computing kpt #: 39 total cpu time spent up to now is 29.7 secs Computing kpt #: 40 total cpu time spent up to now is 30.3 secs Computing kpt #: 41 total cpu time spent up to now is 31.0 secs Computing kpt #: 42 total cpu time spent up to now is 31.6 secs Computing kpt #: 43 total cpu time spent up to now is 32.2 secs Computing kpt #: 44 total cpu time spent up to now is 33.0 secs Computing kpt #: 45 total cpu time spent up to now is 33.6 secs Computing kpt #: 46 total cpu time spent up to now is 34.2 secs Computing kpt #: 47 total cpu time spent up to now is 35.0 secs Computing kpt #: 48 total cpu time spent up to now is 35.7 secs Computing kpt #: 49 total cpu time spent up to now is 36.4 secs Computing kpt #: 50 total cpu time spent up to now is 37.2 secs Computing kpt #: 51 total cpu time spent up to now is 37.9 secs Computing kpt #: 52 total cpu time spent up to now is 38.7 secs Computing kpt #: 53 total cpu time spent up to now is 39.4 secs Computing kpt #: 54 total cpu time spent up to now is 40.2 secs Computing kpt #: 55 total cpu time spent up to now is 40.9 secs Computing kpt #: 56 total cpu time spent up to now is 41.6 secs Computing kpt #: 57 total cpu time spent up to now is 42.4 secs Computing kpt #: 58 total cpu time spent up to now is 43.2 secs Computing kpt #: 59 total cpu time spent up to now is 43.9 secs Computing kpt #: 60 total cpu time spent up to now is 44.7 secs Computing kpt #: 61 total cpu time spent up to now is 45.4 secs Computing kpt #: 62 total cpu time spent up to now is 46.2 secs Computing kpt #: 63 total cpu time spent up to now is 47.0 secs Computing kpt #: 64 total cpu time spent up to now is 47.8 secs Computing kpt #: 65 total cpu time spent up to now is 48.6 secs Computing kpt #: 66 total cpu time spent up to now is 49.4 secs Computing kpt #: 67 total cpu time spent up to now is 50.1 secs Computing kpt #: 68 total cpu time spent up to now is 50.9 secs Computing kpt #: 69 total cpu time spent up to now is 52.1 secs Computing kpt #: 70 total cpu time spent up to now is 53.5 secs Computing kpt #: 71 total cpu time spent up to now is 54.9 secs Computing kpt #: 72 total cpu time spent up to now is 56.1 secs Computing kpt #: 73 total cpu time spent up to now is 57.3 secs Computing kpt #: 74 total cpu time spent up to now is 58.2 secs Computing kpt #: 75 total cpu time spent up to now is 59.2 secs Computing kpt #: 76 total cpu time spent up to now is 60.0 secs Computing kpt #: 77 total cpu time spent up to now is 60.7 secs Computing kpt #: 78 total cpu time spent up to now is 61.5 secs Computing kpt #: 79 total cpu time spent up to now is 62.3 secs Computing kpt #: 80 total cpu time spent up to now is 63.1 secs Computing kpt #: 81 total cpu time spent up to now is 63.9 secs Computing kpt #: 82 total cpu time spent up to now is 64.9 secs Computing kpt #: 83 total cpu time spent up to now is 65.7 secs Computing kpt #: 84 total cpu time spent up to now is 66.4 secs Computing kpt #: 85 total cpu time spent up to now is 67.2 secs Computing kpt #: 86 total cpu time spent up to now is 68.2 secs Computing kpt #: 87 total cpu time spent up to now is 69.1 secs Computing kpt #: 88 total cpu time spent up to now is 70.0 secs Computing kpt #: 89 total cpu time spent up to now is 71.6 secs Computing kpt #: 90 total cpu time spent up to now is 72.3 secs Computing kpt #: 91 total cpu time spent up to now is 73.0 secs Computing kpt #: 92 total cpu time spent up to now is 73.9 secs Computing kpt #: 93 total cpu time spent up to now is 74.8 secs Computing kpt #: 94 total cpu time spent up to now is 75.6 secs Computing kpt #: 95 total cpu time spent up to now is 76.4 secs Computing kpt #: 96 total cpu time spent up to now is 77.1 secs Computing kpt #: 97 total cpu time spent up to now is 77.8 secs Computing kpt #: 98 total cpu time spent up to now is 78.6 secs Computing kpt #: 99 total cpu time spent up to now is 79.3 secs Computing kpt #: 100 total cpu time spent up to now is 80.0 secs Computing kpt #: 101 total cpu time spent up to now is 80.8 secs Computing kpt #: 102 total cpu time spent up to now is 81.5 secs Computing kpt #: 103 total cpu time spent up to now is 82.3 secs Computing kpt #: 104 total cpu time spent up to now is 83.1 secs Computing kpt #: 105 total cpu time spent up to now is 84.1 secs Computing kpt #: 106 total cpu time spent up to now is 85.0 secs Computing kpt #: 107 total cpu time spent up to now is 85.9 secs Computing kpt #: 108 total cpu time spent up to now is 86.9 secs Computing kpt #: 109 total cpu time spent up to now is 87.7 secs Computing kpt #: 110 total cpu time spent up to now is 88.5 secs Computing kpt #: 111 total cpu time spent up to now is 89.3 secs Computing kpt #: 112 total cpu time spent up to now is 90.1 secs Computing kpt #: 113 total cpu time spent up to now is 91.0 secs Computing kpt #: 114 total cpu time spent up to now is 91.8 secs Computing kpt #: 115 total cpu time spent up to now is 92.8 secs Computing kpt #: 116 total cpu time spent up to now is 93.7 secs Computing kpt #: 117 total cpu time spent up to now is 94.6 secs Computing kpt #: 118 total cpu time spent up to now is 95.6 secs Computing kpt #: 119 total cpu time spent up to now is 96.5 secs Computing kpt #: 120 total cpu time spent up to now is 98.1 secs Computing kpt #: 121 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 99.8 secs Computing kpt #: 122 total cpu time spent up to now is 100.8 secs Computing kpt #: 123 total cpu time spent up to now is 101.7 secs Computing kpt #: 124 total cpu time spent up to now is 102.7 secs Computing kpt #: 125 total cpu time spent up to now is 103.6 secs Computing kpt #: 126 total cpu time spent up to now is 104.5 secs Computing kpt #: 127 total cpu time spent up to now is 105.5 secs Computing kpt #: 128 total cpu time spent up to now is 106.3 secs Computing kpt #: 129 total cpu time spent up to now is 107.1 secs Computing kpt #: 130 total cpu time spent up to now is 107.8 secs Computing kpt #: 131 total cpu time spent up to now is 108.5 secs Computing kpt #: 132 total cpu time spent up to now is 109.2 secs Computing kpt #: 133 total cpu time spent up to now is 109.9 secs Computing kpt #: 134 total cpu time spent up to now is 110.6 secs Computing kpt #: 135 total cpu time spent up to now is 111.2 secs Computing kpt #: 136 total cpu time spent up to now is 111.9 secs Computing kpt #: 137 total cpu time spent up to now is 112.6 secs Computing kpt #: 138 total cpu time spent up to now is 113.4 secs Computing kpt #: 139 total cpu time spent up to now is 114.1 secs Computing kpt #: 140 total cpu time spent up to now is 114.8 secs Computing kpt #: 141 total cpu time spent up to now is 115.5 secs Computing kpt #: 142 total cpu time spent up to now is 116.2 secs Computing kpt #: 143 total cpu time spent up to now is 116.9 secs Computing kpt #: 144 total cpu time spent up to now is 117.7 secs Computing kpt #: 145 total cpu time spent up to now is 118.4 secs Computing kpt #: 146 total cpu time spent up to now is 119.0 secs Computing kpt #: 147 total cpu time spent up to now is 119.7 secs Computing kpt #: 148 total cpu time spent up to now is 120.3 secs Computing kpt #: 149 total cpu time spent up to now is 121.0 secs Computing kpt #: 150 total cpu time spent up to now is 121.6 secs Computing kpt #: 151 total cpu time spent up to now is 122.3 secs Computing kpt #: 152 total cpu time spent up to now is 122.9 secs Computing kpt #: 153 total cpu time spent up to now is 123.5 secs Computing kpt #: 154 total cpu time spent up to now is 124.1 secs Computing kpt #: 155 total cpu time spent up to now is 124.7 secs Computing kpt #: 156 total cpu time spent up to now is 125.3 secs Computing kpt #: 157 total cpu time spent up to now is 125.9 secs Computing kpt #: 158 total cpu time spent up to now is 126.5 secs Computing kpt #: 159 total cpu time spent up to now is 127.2 secs Computing kpt #: 160 total cpu time spent up to now is 127.8 secs Computing kpt #: 161 total cpu time spent up to now is 128.4 secs Computing kpt #: 162 total cpu time spent up to now is 129.1 secs Computing kpt #: 163 total cpu time spent up to now is 129.7 secs Computing kpt #: 164 total cpu time spent up to now is 130.4 secs Computing kpt #: 165 total cpu time spent up to now is 131.1 secs Computing kpt #: 166 total cpu time spent up to now is 131.8 secs Computing kpt #: 167 total cpu time spent up to now is 132.5 secs Computing kpt #: 168 total cpu time spent up to now is 133.2 secs Computing kpt #: 169 total cpu time spent up to now is 134.0 secs Computing kpt #: 170 total cpu time spent up to now is 134.7 secs Computing kpt #: 171 total cpu time spent up to now is 135.5 secs Computing kpt #: 172 total cpu time spent up to now is 136.3 secs Computing kpt #: 173 total cpu time spent up to now is 137.0 secs Computing kpt #: 174 total cpu time spent up to now is 137.8 secs Computing kpt #: 175 total cpu time spent up to now is 138.6 secs Computing kpt #: 176 total cpu time spent up to now is 139.4 secs Computing kpt #: 177 total cpu time spent up to now is 140.3 secs Computing kpt #: 178 total cpu time spent up to now is 141.1 secs Computing kpt #: 179 total cpu time spent up to now is 141.9 secs Computing kpt #: 180 total cpu time spent up to now is 142.7 secs Computing kpt #: 181 total cpu time spent up to now is 143.5 secs Computing kpt #: 182 total cpu time spent up to now is 144.3 secs Computing kpt #: 183 total cpu time spent up to now is 145.1 secs Computing kpt #: 184 total cpu time spent up to now is 145.9 secs Computing kpt #: 185 total cpu time spent up to now is 146.7 secs Computing kpt #: 186 total cpu time spent up to now is 147.5 secs Computing kpt #: 187 total cpu time spent up to now is 148.3 secs Computing kpt #: 188 total cpu time spent up to now is 149.1 secs Computing kpt #: 189 total cpu time spent up to now is 149.9 secs Computing kpt #: 190 total cpu time spent up to now is 150.6 secs Computing kpt #: 191 total cpu time spent up to now is 151.4 secs Computing kpt #: 192 total cpu time spent up to now is 152.1 secs Computing kpt #: 193 total cpu time spent up to now is 152.9 secs Computing kpt #: 194 total cpu time spent up to now is 153.6 secs Computing kpt #: 195 total cpu time spent up to now is 154.3 secs Computing kpt #: 196 total cpu time spent up to now is 155.0 secs Computing kpt #: 197 total cpu time spent up to now is 155.8 secs Computing kpt #: 198 total cpu time spent up to now is 156.5 secs Computing kpt #: 199 total cpu time spent up to now is 157.2 secs Computing kpt #: 200 total cpu time spent up to now is 157.9 secs Computing kpt #: 201 total cpu time spent up to now is 158.7 secs Computing kpt #: 202 total cpu time spent up to now is 159.4 secs Computing kpt #: 203 total cpu time spent up to now is 160.1 secs Computing kpt #: 204 total cpu time spent up to now is 160.8 secs Computing kpt #: 205 total cpu time spent up to now is 161.6 secs Computing kpt #: 206 total cpu time spent up to now is 162.3 secs Computing kpt #: 207 total cpu time spent up to now is 163.1 secs Computing kpt #: 208 total cpu time spent up to now is 163.8 secs Computing kpt #: 209 total cpu time spent up to now is 164.6 secs Computing kpt #: 210 total cpu time spent up to now is 165.3 secs Computing kpt #: 211 total cpu time spent up to now is 166.1 secs Computing kpt #: 212 total cpu time spent up to now is 166.8 secs Computing kpt #: 213 total cpu time spent up to now is 167.5 secs Computing kpt #: 214 total cpu time spent up to now is 168.2 secs Computing kpt #: 215 total cpu time spent up to now is 169.0 secs Computing kpt #: 216 total cpu time spent up to now is 169.7 secs Computing kpt #: 217 total cpu time spent up to now is 170.4 secs Computing kpt #: 218 total cpu time spent up to now is 171.1 secs Computing kpt #: 219 total cpu time spent up to now is 171.9 secs Computing kpt #: 220 total cpu time spent up to now is 172.6 secs Computing kpt #: 221 total cpu time spent up to now is 173.2 secs Computing kpt #: 222 total cpu time spent up to now is 173.9 secs Computing kpt #: 223 total cpu time spent up to now is 174.7 secs Computing kpt #: 224 total cpu time spent up to now is 175.4 secs Computing kpt #: 225 total cpu time spent up to now is 176.1 secs Computing kpt #: 226 total cpu time spent up to now is 176.8 secs Computing kpt #: 227 total cpu time spent up to now is 177.6 secs Computing kpt #: 228 total cpu time spent up to now is 178.3 secs Computing kpt #: 229 total cpu time spent up to now is 179.1 secs Computing kpt #: 230 total cpu time spent up to now is 179.8 secs Computing kpt #: 231 total cpu time spent up to now is 180.5 secs Computing kpt #: 232 total cpu time spent up to now is 181.3 secs Computing kpt #: 233 total cpu time spent up to now is 182.0 secs Computing kpt #: 234 total cpu time spent up to now is 182.7 secs Computing kpt #: 235 total cpu time spent up to now is 183.5 secs Computing kpt #: 236 total cpu time spent up to now is 184.2 secs Computing kpt #: 237 total cpu time spent up to now is 185.1 secs Computing kpt #: 238 total cpu time spent up to now is 185.9 secs Computing kpt #: 239 total cpu time spent up to now is 186.7 secs Computing kpt #: 240 total cpu time spent up to now is 187.5 secs Computing kpt #: 241 total cpu time spent up to now is 188.3 secs Computing kpt #: 242 total cpu time spent up to now is 189.1 secs Computing kpt #: 243 total cpu time spent up to now is 189.9 secs Computing kpt #: 244 total cpu time spent up to now is 190.7 secs Computing kpt #: 245 total cpu time spent up to now is 191.6 secs Computing kpt #: 246 total cpu time spent up to now is 192.4 secs Computing kpt #: 247 total cpu time spent up to now is 193.8 secs Computing kpt #: 248 total cpu time spent up to now is 194.6 secs Computing kpt #: 249 total cpu time spent up to now is 195.4 secs Computing kpt #: 250 total cpu time spent up to now is 196.1 secs Computing kpt #: 251 total cpu time spent up to now is 196.9 secs Computing kpt #: 252 total cpu time spent up to now is 197.7 secs Computing kpt #: 253 total cpu time spent up to now is 198.5 secs Computing kpt #: 254 total cpu time spent up to now is 199.3 secs Computing kpt #: 255 total cpu time spent up to now is 200.0 secs Computing kpt #: 256 total cpu time spent up to now is 200.8 secs Computing kpt #: 257 total cpu time spent up to now is 201.6 secs Computing kpt #: 258 total cpu time spent up to now is 202.4 secs Computing kpt #: 259 total cpu time spent up to now is 203.2 secs Computing kpt #: 260 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 204.9 secs Computing kpt #: 261 total cpu time spent up to now is 205.8 secs Computing kpt #: 262 total cpu time spent up to now is 206.5 secs Computing kpt #: 263 total cpu time spent up to now is 207.2 secs Computing kpt #: 264 total cpu time spent up to now is 207.9 secs Computing kpt #: 265 total cpu time spent up to now is 208.7 secs Computing kpt #: 266 total cpu time spent up to now is 209.4 secs Computing kpt #: 267 total cpu time spent up to now is 210.1 secs Computing kpt #: 268 total cpu time spent up to now is 210.8 secs Computing kpt #: 269 total cpu time spent up to now is 211.5 secs Computing kpt #: 270 total cpu time spent up to now is 212.1 secs Computing kpt #: 271 total cpu time spent up to now is 212.8 secs Computing kpt #: 272 total cpu time spent up to now is 213.5 secs Computing kpt #: 273 total cpu time spent up to now is 214.1 secs Computing kpt #: 274 total cpu time spent up to now is 214.8 secs Computing kpt #: 275 total cpu time spent up to now is 215.5 secs Computing kpt #: 276 total cpu time spent up to now is 216.1 secs Computing kpt #: 277 total cpu time spent up to now is 216.8 secs Computing kpt #: 278 total cpu time spent up to now is 217.4 secs Computing kpt #: 279 total cpu time spent up to now is 218.1 secs Computing kpt #: 280 total cpu time spent up to now is 218.8 secs Computing kpt #: 281 total cpu time spent up to now is 219.4 secs Computing kpt #: 282 total cpu time spent up to now is 220.1 secs Computing kpt #: 283 total cpu time spent up to now is 220.8 secs Computing kpt #: 284 total cpu time spent up to now is 221.4 secs Computing kpt #: 285 total cpu time spent up to now is 222.1 secs Computing kpt #: 286 total cpu time spent up to now is 222.8 secs Computing kpt #: 287 total cpu time spent up to now is 223.5 secs Computing kpt #: 288 total cpu time spent up to now is 224.1 secs Computing kpt #: 289 total cpu time spent up to now is 224.7 secs Computing kpt #: 290 total cpu time spent up to now is 225.3 secs Computing kpt #: 291 total cpu time spent up to now is 225.9 secs Computing kpt #: 292 total cpu time spent up to now is 226.5 secs Computing kpt #: 293 total cpu time spent up to now is 227.1 secs Computing kpt #: 294 total cpu time spent up to now is 227.7 secs Computing kpt #: 295 total cpu time spent up to now is 228.3 secs Computing kpt #: 296 total cpu time spent up to now is 228.9 secs Computing kpt #: 297 total cpu time spent up to now is 229.5 secs Computing kpt #: 298 total cpu time spent up to now is 230.1 secs Computing kpt #: 299 total cpu time spent up to now is 230.8 secs Computing kpt #: 300 total cpu time spent up to now is 231.4 secs Computing kpt #: 301 total cpu time spent up to now is 232.0 secs Computing kpt #: 302 total cpu time spent up to now is 232.6 secs Computing kpt #: 303 total cpu time spent up to now is 233.3 secs Computing kpt #: 304 total cpu time spent up to now is 233.9 secs Computing kpt #: 305 total cpu time spent up to now is 234.6 secs Computing kpt #: 306 total cpu time spent up to now is 235.4 secs Computing kpt #: 307 total cpu time spent up to now is 236.3 secs Computing kpt #: 308 total cpu time spent up to now is 237.2 secs Computing kpt #: 309 total cpu time spent up to now is 237.9 secs Computing kpt #: 310 total cpu time spent up to now is 238.7 secs Computing kpt #: 311 total cpu time spent up to now is 239.4 secs Computing kpt #: 312 total cpu time spent up to now is 240.7 secs Computing kpt #: 313 total cpu time spent up to now is 241.5 secs Computing kpt #: 314 total cpu time spent up to now is 242.4 secs Computing kpt #: 315 total cpu time spent up to now is 243.2 secs Computing kpt #: 316 total cpu time spent up to now is 244.1 secs Computing kpt #: 317 total cpu time spent up to now is 244.9 secs Computing kpt #: 318 total cpu time spent up to now is 245.7 secs Computing kpt #: 319 total cpu time spent up to now is 246.5 secs Computing kpt #: 320 total cpu time spent up to now is 247.4 secs Computing kpt #: 321 total cpu time spent up to now is 248.1 secs Computing kpt #: 322 total cpu time spent up to now is 249.0 secs Computing kpt #: 323 total cpu time spent up to now is 249.7 secs Computing kpt #: 324 total cpu time spent up to now is 250.5 secs Computing kpt #: 325 total cpu time spent up to now is 251.3 secs Computing kpt #: 326 total cpu time spent up to now is 251.9 secs Computing kpt #: 327 total cpu time spent up to now is 252.5 secs Computing kpt #: 328 total cpu time spent up to now is 253.2 secs Computing kpt #: 329 total cpu time spent up to now is 253.8 secs Computing kpt #: 330 total cpu time spent up to now is 254.5 secs Computing kpt #: 331 total cpu time spent up to now is 255.1 secs Computing kpt #: 332 total cpu time spent up to now is 255.7 secs Computing kpt #: 333 total cpu time spent up to now is 256.4 secs Computing kpt #: 334 total cpu time spent up to now is 257.1 secs Computing kpt #: 335 total cpu time spent up to now is 257.7 secs Computing kpt #: 336 total cpu time spent up to now is 258.4 secs Computing kpt #: 337 total cpu time spent up to now is 259.0 secs Computing kpt #: 338 total cpu time spent up to now is 259.7 secs Computing kpt #: 339 total cpu time spent up to now is 260.4 secs Computing kpt #: 340 total cpu time spent up to now is 261.2 secs Computing kpt #: 341 total cpu time spent up to now is 261.9 secs Computing kpt #: 342 total cpu time spent up to now is 262.6 secs Computing kpt #: 343 total cpu time spent up to now is 263.3 secs Computing kpt #: 344 total cpu time spent up to now is 264.0 secs Computing kpt #: 345 total cpu time spent up to now is 264.7 secs Computing kpt #: 346 total cpu time spent up to now is 265.4 secs Computing kpt #: 347 total cpu time spent up to now is 266.1 secs Computing kpt #: 348 total cpu time spent up to now is 266.8 secs Computing kpt #: 349 total cpu time spent up to now is 267.5 secs Computing kpt #: 350 total cpu time spent up to now is 268.2 secs Computing kpt #: 351 total cpu time spent up to now is 268.8 secs Computing kpt #: 352 total cpu time spent up to now is 269.5 secs Computing kpt #: 353 total cpu time spent up to now is 270.2 secs Computing kpt #: 354 total cpu time spent up to now is 270.9 secs Computing kpt #: 355 total cpu time spent up to now is 271.6 secs Computing kpt #: 356 total cpu time spent up to now is 272.2 secs Computing kpt #: 357 total cpu time spent up to now is 272.9 secs Computing kpt #: 358 total cpu time spent up to now is 273.6 secs Computing kpt #: 359 total cpu time spent up to now is 274.3 secs Computing kpt #: 360 total cpu time spent up to now is 274.9 secs Computing kpt #: 361 total cpu time spent up to now is 275.6 secs Computing kpt #: 362 total cpu time spent up to now is 276.3 secs Computing kpt #: 363 total cpu time spent up to now is 277.0 secs ethr = 2.08E-08, avg # of iterations = 27.7 total cpu time spent up to now is 277.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4653 PWs) bands (ev): -2.3262 -2.3262 -1.3089 -1.3089 0.0543 0.0543 5.3617 5.3617 5.5172 5.5172 6.0718 6.0718 6.9692 6.9692 6.9781 6.9781 7.7382 7.7382 7.7689 7.7689 7.8347 7.8347 8.1374 8.1374 8.2983 8.2983 8.3286 8.3286 8.7446 8.7446 9.4422 9.4422 9.9457 9.9457 10.3673 10.3673 10.4124 10.4124 10.5437 10.5437 10.7511 10.7511 11.4922 11.4922 12.1883 12.1883 13.4000 13.4000 13.4013 13.4013 13.4763 13.4763 13.6202 13.6202 13.8174 13.8174 13.8715 13.8715 k = 0.0000 0.0114-0.0000 ( 4653 PWs) bands (ev): -2.3248 -2.3248 -1.3078 -1.3078 0.0551 0.0551 5.3632 5.3632 5.5174 5.5174 6.0592 6.0592 6.9685 6.9685 6.9775 6.9775 7.7404 7.7404 7.7709 7.7709 7.8355 7.8355 8.1378 8.1378 8.2951 8.2951 8.3253 8.3253 8.7552 8.7552 9.4422 9.4422 9.9454 9.9454 10.3608 10.3608 10.4058 10.4058 10.5585 10.5585 10.7505 10.7505 11.4928 11.4928 12.1894 12.1894 13.3881 13.3881 13.3996 13.3996 13.4725 13.4725 13.5696 13.5696 13.8321 13.8321 13.9062 13.9062 k = 0.0000 0.0227-0.0000 ( 4635 PWs) bands (ev): -2.3205 -2.3205 -1.3045 -1.3045 0.0575 0.0575 5.3676 5.3676 5.5181 5.5181 6.0224 6.0224 6.9661 6.9661 6.9763 6.9763 7.7461 7.7461 7.7761 7.7761 7.8382 7.8382 8.1393 8.1393 8.2861 8.2861 8.3178 8.3178 8.7846 8.7846 9.4421 9.4421 9.9443 9.9443 10.3406 10.3406 10.3954 10.3954 10.5939 10.5939 10.7487 10.7487 11.4946 11.4946 12.1927 12.1927 13.3509 13.3509 13.3944 13.3944 13.4553 13.4553 13.4848 13.4848 13.8272 13.8272 14.0025 14.0025 k = 0.0000 0.0341-0.0000 ( 4633 PWs) bands (ev): -2.3134 -2.3134 -1.2989 -1.2989 0.0614 0.0614 5.3750 5.3750 5.5191 5.5191 5.9635 5.9635 6.9609 6.9609 6.9755 6.9755 7.7529 7.7529 7.7813 7.7813 7.8435 7.8435 8.1417 8.1417 8.2760 8.2760 8.3092 8.3092 8.8274 8.8274 9.4420 9.4420 9.9425 9.9425 10.3114 10.3114 10.3872 10.3872 10.6390 10.6390 10.7461 10.7461 11.4975 11.4975 12.1983 12.1983 13.2913 13.2913 13.3478 13.3478 13.4062 13.4062 13.4610 13.4610 13.8101 13.8101 14.1162 14.1162 k = 0.0000 0.0455-0.0000 ( 4619 PWs) bands (ev): -2.3035 -2.3035 -1.2912 -1.2912 0.0670 0.0670 5.3853 5.3853 5.5205 5.5205 5.8854 5.8854 6.9527 6.9527 6.9752 6.9752 7.7573 7.7573 7.7835 7.7835 7.8517 7.8517 8.1451 8.1451 8.2719 8.2719 8.3009 8.3009 8.8787 8.8787 9.4415 9.4415 9.9402 9.9402 10.2795 10.2795 10.3794 10.3794 10.6866 10.6866 10.7455 10.7455 11.5013 11.5013 12.2061 12.2061 13.2134 13.2134 13.2476 13.2476 13.3962 13.3962 13.4496 13.4496 13.7862 13.7862 14.2349 14.2349 k = 0.0000 0.0568-0.0000 ( 4623 PWs) bands (ev): -2.2908 -2.2908 -1.2812 -1.2812 0.0740 0.0740 5.3986 5.3986 5.5221 5.5221 5.7914 5.7914 6.9418 6.9418 6.9754 6.9754 7.7502 7.7502 7.7880 7.7880 7.8609 7.8609 8.1496 8.1496 8.2727 8.2727 8.3002 8.3002 8.9344 8.9344 9.4406 9.4406 9.9373 9.9373 10.2479 10.2479 10.3706 10.3706 10.7157 10.7157 10.7664 10.7664 11.5059 11.5059 12.2163 12.2163 13.1197 13.1197 13.1472 13.1472 13.3885 13.3885 13.4383 13.4383 13.7572 13.7572 14.3553 14.3553 k = 0.0000 0.0682-0.0000 ( 4623 PWs) bands (ev): -2.2752 -2.2752 -1.2691 -1.2691 0.0826 0.0826 5.4147 5.4147 5.5237 5.5237 5.6843 5.6843 6.9283 6.9283 6.9757 6.9757 7.7268 7.7268 7.7990 7.7990 7.8698 7.8698 8.1549 8.1549 8.2643 8.2643 8.3234 8.3234 8.9920 8.9920 9.4389 9.4389 9.9341 9.9341 10.2178 10.2178 10.3606 10.3606 10.7146 10.7146 10.8197 10.8197 11.5109 11.5109 12.2289 12.2289 13.0169 13.0169 13.0489 13.0489 13.3792 13.3792 13.4270 13.4270 13.7249 13.7249 14.4755 14.4755 k = 0.0000 0.0795-0.0000 ( 4623 PWs) bands (ev): -2.2569 -2.2569 -1.2547 -1.2547 0.0926 0.0926 5.4337 5.4337 5.5251 5.5251 5.5667 5.5667 6.9122 6.9122 6.9762 6.9762 7.6910 7.6910 7.8140 7.8140 7.8786 7.8786 8.1609 8.1609 8.2497 8.2497 8.3655 8.3655 9.0493 9.0493 9.4362 9.4362 9.9308 9.9308 10.1899 10.1899 10.3491 10.3491 10.7062 10.7062 10.8823 10.8823 11.5161 11.5161 12.2439 12.2439 12.9124 12.9124 12.9489 12.9489 13.3679 13.3679 13.4160 13.4160 13.6907 13.6907 14.5941 14.5941 k = 0.0000 0.0909-0.0000 ( 4619 PWs) bands (ev): -2.2357 -2.2357 -1.2383 -1.2383 0.1039 0.1039 5.4406 5.4406 5.4555 5.4555 5.5263 5.5263 6.8937 6.8937 6.9768 6.9768 7.6470 7.6470 7.8318 7.8318 7.8878 7.8878 8.1670 8.1670 8.2329 8.2329 8.4194 8.4194 9.1048 9.1048 9.4322 9.4322 9.9277 9.9277 10.1647 10.1647 10.3361 10.3361 10.6951 10.6951 10.9493 10.9493 11.5213 11.5213 12.2615 12.2615 12.8088 12.8088 12.8468 12.8468 13.3549 13.3549 13.4052 13.4052 13.6559 13.6559 14.7091 14.7091 k = 0.0000 0.1023-0.0000 ( 4619 PWs) bands (ev): -2.2117 -2.2117 -1.2196 -1.2196 0.1166 0.1166 5.3079 5.3079 5.4801 5.4801 5.5269 5.5269 6.8727 6.8727 6.9776 6.9776 7.5978 7.5978 7.8519 7.8519 7.8978 7.8978 8.1719 8.1719 8.2162 8.2162 8.4810 8.4810 9.1572 9.1572 9.4265 9.4265 9.9250 9.9250 10.1423 10.1423 10.3218 10.3218 10.6822 10.6822 11.0197 11.0197 11.5260 11.5260 12.2817 12.2817 12.7069 12.7069 12.7434 12.7434 13.3411 13.3411 13.3940 13.3940 13.6218 13.6218 14.7102 14.7102 k = 0.0000 0.1136-0.0000 ( 4609 PWs) bands (ev): -2.1849 -2.1849 -1.1989 -1.1989 0.1305 0.1305 5.1699 5.1699 5.5072 5.5072 5.5267 5.5267 6.8493 6.8493 6.9784 6.9784 7.5460 7.5460 7.8741 7.8741 7.9087 7.9087 8.1701 8.1701 8.2055 8.2055 8.5472 8.5472 9.2055 9.2055 9.4189 9.4189 9.9230 9.9230 10.1232 10.1232 10.3060 10.3060 10.6676 10.6676 11.0929 11.0929 11.5299 11.5299 12.3042 12.3042 12.6071 12.6071 12.6397 12.6397 13.3274 13.3274 13.3818 13.3818 13.5896 13.5896 14.6819 14.6819 k = 0.0000 0.1250-0.0000 ( 4607 PWs) bands (ev): -2.1554 -2.1554 -1.1761 -1.1761 0.1455 0.1455 5.0278 5.0278 5.5245 5.5245 5.5378 5.5378 6.8236 6.8236 6.9793 6.9793 7.4935 7.4935 7.8979 7.8979 7.9207 7.9207 8.1556 8.1556 8.2074 8.2074 8.6161 8.6161 9.2487 9.2487 9.4091 9.4091 9.9220 9.9220 10.1073 10.1073 10.2888 10.2888 10.6515 10.6515 11.1686 11.1686 11.5327 11.5327 12.3284 12.3284 12.5094 12.5094 12.5371 12.5371 13.3147 13.3147 13.3682 13.3682 13.5602 13.5602 14.6402 14.6403 k = 0.0000 0.1364-0.0000 ( 4603 PWs) bands (ev): -2.1231 -2.1231 -1.1512 -1.1512 0.1615 0.1615 4.8823 4.8823 5.5217 5.5217 5.5700 5.5700 6.7956 6.7956 6.9803 6.9803 7.4418 7.4418 7.9228 7.9228 7.9337 7.9337 8.1353 8.1353 8.2159 8.2159 8.6865 8.6865 9.2858 9.2858 9.3972 9.3972 9.9222 9.9222 10.0949 10.0949 10.2703 10.2703 10.6339 10.6339 11.2462 11.2462 11.5342 11.5342 12.3474 12.3474 12.4179 12.4179 12.4393 12.4393 13.3031 13.3031 13.3529 13.3529 13.5346 13.5346 14.5860 14.5860 k = 0.0000 0.1477-0.0000 ( 4603 PWs) bands (ev): -2.0880 -2.0880 -1.1243 -1.1243 0.1785 0.1785 4.7343 4.7343 5.5168 5.5168 5.6049 5.6049 6.7653 6.7653 6.9813 6.9813 7.3919 7.3919 7.9459 7.9459 7.9488 7.9488 8.1149 8.1149 8.2271 8.2271 8.7574 8.7574 9.3152 9.3152 9.3846 9.3846 9.9239 9.9239 10.0861 10.0861 10.2506 10.2506 10.6149 10.6149 11.3249 11.3249 11.5342 11.5342 12.2968 12.2968 12.3379 12.3379 12.4054 12.4054 13.2920 13.2920 13.3366 13.3366 13.5134 13.5134 14.5211 14.5211 k = 0.0000 0.1591-0.0000 ( 4599 PWs) bands (ev): -2.0502 -2.0502 -1.0954 -1.0954 0.1962 0.1962 4.5843 4.5843 5.5097 5.5097 5.6422 5.6422 6.7328 6.7328 6.9824 6.9824 7.3449 7.3449 7.9613 7.9613 7.9680 7.9680 8.0996 8.0996 8.2398 8.2398 8.8282 8.8282 9.3307 9.3307 9.3770 9.3770 9.9271 9.9271 10.0808 10.0808 10.2297 10.2297 10.5947 10.5947 11.4034 11.4034 11.5333 11.5333 12.1998 12.1998 12.2483 12.2483 12.4338 12.4338 13.2784 13.2784 13.3222 13.3222 13.4971 13.4971 14.4476 14.4476 k = 0.0000 0.1705-0.0000 ( 4599 PWs) bands (ev): -2.0097 -2.0097 -1.0645 -1.0645 0.2146 0.2146 4.4330 4.4330 5.5001 5.5001 5.6817 5.6817 6.6983 6.6983 6.9836 6.9836 7.3016 7.3016 7.9715 7.9715 7.9811 7.9811 8.0975 8.0975 8.2537 8.2537 8.8984 8.8984 9.3231 9.3231 9.3839 9.3839 9.9319 9.9319 10.0789 10.0789 10.2077 10.2077 10.5731 10.5731 11.4764 11.4764 11.5359 11.5359 12.0990 12.0990 12.1621 12.1621 12.4691 12.4691 13.2571 13.2571 13.3143 13.3143 13.4864 13.4864 14.3680 14.3680 k = 0.0000 0.1818-0.0000 ( 4595 PWs) bands (ev): -1.9664 -1.9664 -1.0317 -1.0317 0.2334 0.2334 4.2806 4.2806 5.4877 5.4877 5.7231 5.7231 6.6619 6.6619 6.9849 6.9849 7.2627 7.2627 7.9633 7.9633 7.9961 7.9961 8.1138 8.1138 8.2688 8.2688 8.9675 8.9675 9.3020 9.3020 9.3962 9.3962 9.9381 9.9381 10.0804 10.0804 10.1849 10.1849 10.5503 10.5503 11.5075 11.5075 11.5775 11.5775 11.9979 11.9979 12.0793 12.0793 12.5074 12.5074 13.2263 13.2263 13.3143 13.3143 13.4815 13.4815 14.2847 14.2847 k = 0.0000 0.1932-0.0000 ( 4595 PWs) bands (ev): -1.9205 -1.9205 -0.9971 -0.9971 0.2526 0.2526 4.1277 4.1277 5.4723 5.4723 5.7663 5.7663 6.6239 6.6239 6.9862 6.9862 7.2286 7.2286 7.9418 7.9418 8.0131 8.0131 8.1437 8.1437 8.2850 8.2850 9.0350 9.0350 9.2754 9.2754 9.4069 9.4069 9.9454 9.9454 10.0850 10.0850 10.1613 10.1613 10.5263 10.5263 11.5036 11.5036 11.6501 11.6501 11.8977 11.8977 11.9999 11.9999 12.5476 12.5476 13.1869 13.1869 13.3206 13.3206 13.4826 13.4826 14.2002 14.2002 k = 0.0000 0.2045-0.0000 ( 4601 PWs) bands (ev): -1.8719 -1.8719 -0.9606 -0.9606 0.2720 0.2720 3.9746 3.9746 5.4538 5.4538 5.8109 5.8109 6.5845 6.5845 6.9877 6.9877 7.1998 7.1998 7.9142 7.9142 8.0309 8.0309 8.1812 8.1812 8.3022 8.3022 9.1002 9.1002 9.2454 9.2454 9.4149 9.4149 9.9534 9.9534 10.0925 10.0925 10.1375 10.1375 10.5012 10.5012 11.4935 11.4935 11.7233 11.7233 11.7994 11.7994 11.9239 11.9239 12.5887 12.5887 13.1393 13.1393 13.3321 13.3321 13.4898 13.4898 14.1172 14.1172 k = 0.0000 0.2159-0.0000 ( 4605 PWs) bands (ev): -1.8206 -1.8206 -0.9224 -0.9224 0.2914 0.2914 3.8214 3.8214 5.4323 5.4323 5.8564 5.8564 6.5442 6.5442 6.9892 6.9892 7.1765 7.1765 7.8834 7.8834 8.0494 8.0494 8.2233 8.2233 8.3204 8.3204 9.1616 9.1616 9.2136 9.2136 9.4207 9.4207 9.9616 9.9616 10.1010 10.1010 10.1157 10.1157 10.4751 10.4751 11.4804 11.4804 11.7005 11.7005 11.7943 11.7943 11.8521 11.8521 12.6299 12.6299 13.0835 13.0835 13.3481 13.3481 13.5032 13.5032 14.0387 14.0387 k = 0.0000 0.2273-0.0000 ( 4601 PWs) bands (ev): -1.7668 -1.7668 -0.8825 -0.8825 0.3105 0.3105 3.6684 3.6684 5.4078 5.4078 5.9019 5.9019 6.5039 6.5039 6.9910 6.9910 7.1589 7.1589 7.8511 7.8511 8.0684 8.0684 8.2690 8.2690 8.3396 8.3396 9.1751 9.1751 9.2236 9.2236 9.4254 9.4254 9.9689 9.9689 10.0880 10.0880 10.1196 10.1196 10.4482 10.4482 11.4648 11.4648 11.6058 11.6058 11.7789 11.7789 11.8628 11.8628 12.6701 12.6701 13.0195 13.0195 13.3683 13.3683 13.5224 13.5224 13.9680 13.9680 k = 0.0000 0.2386-0.0000 ( 4605 PWs) bands (ev): -1.7103 -1.7103 -0.8409 -0.8409 0.3292 0.3292 3.5160 3.5160 5.3806 5.3806 5.9463 5.9463 6.4648 6.4648 6.9929 6.9929 7.1469 7.1469 7.8178 7.8178 8.0877 8.0877 8.3175 8.3175 8.3598 8.3598 9.1396 9.1396 9.2752 9.2752 9.4305 9.4305 9.9729 9.9729 10.0685 10.0685 10.1367 10.1367 10.4206 10.4206 11.4455 11.4455 11.5146 11.5146 11.7128 11.7128 11.9201 11.9201 12.7085 12.7085 12.9474 12.9474 13.3924 13.3924 13.5471 13.5471 13.9085 13.9085 k = 0.0000 0.2500-0.0000 ( 4609 PWs) bands (ev): -1.6512 -1.6512 -0.7977 -0.7977 0.3472 0.3472 3.3642 3.3642 5.3511 5.3511 5.9872 5.9872 6.4292 6.4292 6.9951 6.9951 7.1402 7.1402 7.7839 7.7839 8.1073 8.1073 8.3685 8.3685 8.3811 8.3811 9.1018 9.1018 9.3194 9.3194 9.4386 9.4386 9.9697 9.9697 10.0552 10.0552 10.1583 10.1583 10.3927 10.3927 11.4054 11.4054 11.4446 11.4446 11.6491 11.6491 11.9681 11.9681 12.7442 12.7442 12.8678 12.8678 13.4201 13.4201 13.5768 13.5768 13.8634 13.8634 k = 0.0000 0.2614-0.0000 ( 4603 PWs) bands (ev): -1.5896 -1.5896 -0.7530 -0.7530 0.3643 0.3643 3.2132 3.2132 5.3197 5.3197 6.0208 6.0208 6.4008 6.4008 6.9977 6.9977 7.1387 7.1387 7.7498 7.7498 8.1270 8.1270 8.4029 8.4029 8.4222 8.4222 9.0629 9.0629 9.3514 9.3514 9.4532 9.4532 9.9564 9.9564 10.0511 10.0511 10.1848 10.1848 10.3647 10.3647 11.3241 11.3241 11.4170 11.4170 11.5884 11.5884 12.0036 12.0036 12.7661 12.7661 12.7929 12.7929 13.4510 13.4510 13.6106 13.6106 13.8354 13.8354 k = 0.0000 0.2727-0.0000 ( 4603 PWs) bands (ev): -1.5255 -1.5255 -0.7068 -0.7068 0.3803 0.3803 3.0632 3.0632 5.2870 5.2870 6.0414 6.0414 6.3854 6.3854 7.0006 7.0006 7.1418 7.1418 7.7156 7.7156 8.1467 8.1467 8.4260 8.4260 8.4776 8.4776 9.0233 9.0233 9.3699 9.3699 9.4754 9.4754 9.9352 9.9352 10.0534 10.0534 10.2166 10.2166 10.3374 10.3374 11.2383 11.2383 11.3953 11.3953 11.5306 11.5306 12.0236 12.0236 12.6831 12.6831 12.8161 12.8161 13.4848 13.4848 13.6474 13.6474 13.8260 13.8260 k = 0.0000 0.2841-0.0000 ( 4609 PWs) bands (ev): -1.4589 -1.4589 -0.6593 -0.6593 0.3948 0.3948 2.9144 2.9144 5.2536 5.2536 6.0432 6.0432 6.3888 6.3888 7.0038 7.0038 7.1493 7.1493 7.6815 7.6815 8.1662 8.1662 8.4499 8.4499 8.5350 8.5350 8.9835 8.9835 9.3791 9.3791 9.5009 9.5009 9.9097 9.9097 10.0576 10.0576 10.2531 10.2531 10.3127 10.3127 11.1543 11.1543 11.3738 11.3738 11.4757 11.4757 12.0261 12.0261 12.5839 12.5839 12.8518 12.8518 13.5213 13.5213 13.6854 13.6854 13.8351 13.8351 k = 0.0000 0.2955-0.0000 ( 4605 PWs) bands (ev): -1.3899 -1.3899 -0.6105 -0.6105 0.4078 0.4078 2.7668 2.7668 5.2202 5.2202 6.0251 6.0251 6.4122 6.4122 7.0074 7.0074 7.1606 7.1606 7.6477 7.6477 8.1854 8.1854 8.4748 8.4748 8.5941 8.5941 8.9437 8.9437 9.3839 9.3839 9.5248 9.5248 9.8824 9.8824 10.0604 10.0604 10.2753 10.2753 10.3112 10.3112 11.0730 11.0730 11.3521 11.3521 11.4237 11.4237 12.0107 12.0107 12.4798 12.4798 12.8919 12.8919 13.5601 13.5601 13.7210 13.7210 13.8609 13.8609 k = 0.0000 0.3068-0.0000 ( 4613 PWs) bands (ev): -1.3185 -1.3185 -0.5605 -0.5605 0.4188 0.4188 2.6206 2.6206 5.1872 5.1872 5.9915 5.9915 6.4509 6.4509 7.0114 7.0114 7.1752 7.1752 7.6143 7.6143 8.2042 8.2042 8.5004 8.5004 8.6545 8.6545 8.9043 8.9043 9.3873 9.3873 9.5447 9.5447 9.8544 9.8544 10.0591 10.0591 10.2600 10.2600 10.3570 10.3570 10.9948 10.9948 11.3298 11.3298 11.3748 11.3748 11.9786 11.9786 12.3719 12.3719 12.9373 12.9373 13.6007 13.6007 13.7464 13.7464 13.9006 13.9006 k = 0.0000 0.3182-0.0000 ( 4609 PWs) bands (ev): -1.2448 -1.2448 -0.5093 -0.5093 0.4276 0.4276 2.4759 2.4759 5.1555 5.1555 5.9480 5.9480 6.4997 6.4997 7.0158 7.0158 7.1926 7.1926 7.5814 7.5814 8.2222 8.2222 8.5269 8.5269 8.7157 8.7157 8.8656 8.8656 9.3907 9.3907 9.5599 9.5599 9.8268 9.8268 10.0519 10.0519 10.2442 10.2442 10.4140 10.4140 10.9203 10.9203 11.3054 11.3054 11.3306 11.3306 11.9324 11.9324 12.2616 12.2616 12.9878 12.9878 13.6423 13.6423 13.7442 13.7442 13.9504 13.9504 k = 0.0000 0.3295-0.0000 ( 4605 PWs) bands (ev): -1.1688 -1.1688 -0.4571 -0.4571 0.4340 0.4340 2.3328 2.3328 5.1255 5.1255 5.8983 5.8983 6.5546 6.5546 7.0207 7.0207 7.2123 7.2123 7.5491 7.5491 8.2395 8.2395 8.5541 8.5541 8.7756 8.7756 8.8297 8.8297 9.3949 9.3949 9.5706 9.5706 9.8000 9.8000 10.0379 10.0379 10.2326 10.2326 10.4771 10.4771 10.8502 10.8502 11.2723 11.2723 11.2976 11.2976 11.8756 11.8756 12.1498 12.1498 13.0426 13.0426 13.6741 13.6741 13.7055 13.7055 13.9953 13.9953 k = 0.0000 0.3409-0.0000 ( 4609 PWs) bands (ev): -1.0906 -1.0906 -0.4040 -0.4040 0.4377 0.4377 2.1914 2.1914 5.0978 5.0978 5.8449 5.8449 6.6132 6.6132 7.0259 7.0259 7.2336 7.2336 7.5175 7.5175 8.2558 8.2558 8.5820 8.5820 8.7852 8.7852 8.8450 8.8450 9.4004 9.4004 9.5772 9.5772 9.7751 9.7751 10.0175 10.0175 10.2244 10.2244 10.5449 10.5449 10.7854 10.7854 11.2317 11.2317 11.2744 11.2744 11.8117 11.8117 12.0375 12.0375 13.1008 13.1008 13.6010 13.6010 13.7349 13.7349 14.0205 14.0205 k = 0.0000 0.3523-0.0000 ( 4605 PWs) bands (ev): -1.0103 -1.0103 -0.3499 -0.3499 0.4384 0.4384 2.0519 2.0519 5.0730 5.0730 5.7893 5.7893 6.6741 6.6741 7.0317 7.0317 7.2559 7.2559 7.4867 7.4867 8.2711 8.2711 8.6104 8.6104 8.7510 8.7510 8.9042 8.9042 9.4076 9.4076 9.5805 9.5805 9.7530 9.7530 9.9922 9.9922 10.2173 10.2173 10.6160 10.6160 10.7275 10.7275 11.1901 11.1901 11.2541 11.2541 11.7438 11.7438 11.9260 11.9260 13.1611 13.1611 13.4962 13.4962 13.7790 13.7790 14.0482 14.0482 k = 0.0000 0.3636-0.0000 ( 4607 PWs) bands (ev): -0.9280 -0.9280 -0.2950 -0.2950 0.4360 0.4360 1.9144 1.9144 5.0514 5.0514 5.7323 5.7323 6.7361 6.7361 7.0381 7.0381 7.2787 7.2787 7.4567 7.4567 8.2851 8.2851 8.6387 8.6387 8.7170 8.7170 8.9628 8.9628 9.4167 9.4167 9.5814 9.5814 9.7349 9.7349 9.9635 9.9635 10.2085 10.2085 10.6721 10.6721 10.6948 10.6948 11.1483 11.1483 11.2353 11.2353 11.6748 11.6748 11.8162 11.8162 13.2225 13.2225 13.3834 13.3834 13.8238 13.8238 14.0750 14.0750 k = 0.0000 0.3750-0.0000 ( 4614 PWs) bands (ev): -0.8438 -0.8438 -0.2392 -0.2392 0.4302 0.4302 1.7789 1.7789 5.0335 5.0335 5.6749 5.6749 6.7987 6.7987 7.0450 7.0450 7.3013 7.3013 7.4276 7.4276 8.2979 8.2979 8.6610 8.6610 8.6907 8.6907 9.0175 9.0175 9.4279 9.4279 9.5810 9.5810 9.7224 9.7224 9.9328 9.9328 10.1952 10.1952 10.6355 10.6355 10.7652 10.7652 11.1059 11.1059 11.2177 11.2177 11.6079 11.6079 11.7098 11.7098 13.2669 13.2669 13.2843 13.2843 13.8684 13.8684 14.0962 14.0962 k = 0.0000 0.3864-0.0000 ( 4614 PWs) bands (ev): -0.7581 -0.7581 -0.1827 -0.1827 0.4207 0.4207 1.6456 1.6456 5.0197 5.0197 5.6174 5.6174 6.8610 6.8610 7.0526 7.0526 7.3229 7.3229 7.3995 7.3995 8.3095 8.3095 8.6437 8.6437 8.7058 8.7058 9.0658 9.0658 9.4414 9.4414 9.5803 9.5803 9.7174 9.7174 9.9013 9.9013 10.1755 10.1755 10.6067 10.6067 10.8369 10.8369 11.0616 11.0616 11.2015 11.2015 11.5465 11.5465 11.6085 11.6085 13.1489 13.1489 13.3456 13.3456 13.9125 13.9125 14.1096 14.1096 k = 0.0000 0.3977-0.0000 ( 4610 PWs) bands (ev): -0.6709 -0.6709 -0.1254 -0.1254 0.4074 0.4074 1.5147 1.5147 5.0101 5.0101 5.5604 5.5604 6.9225 6.9225 7.0609 7.0609 7.3427 7.3427 7.3728 7.3728 8.3199 8.3199 8.6138 8.6138 8.7353 8.7353 9.1049 9.1049 9.4572 9.4572 9.5804 9.5804 9.7226 9.7226 9.8697 9.8697 10.1484 10.1484 10.5896 10.5896 10.9021 10.9021 11.0141 11.0141 11.1867 11.1867 11.4948 11.4948 11.5150 11.5150 13.0303 13.0303 13.4060 13.4060 13.9555 13.9555 14.1143 14.1143 k = 0.0000 0.4091-0.0000 ( 4602 PWs) bands (ev): -0.5826 -0.5826 -0.0671 -0.0671 0.3902 0.3902 1.3864 1.3864 5.0051 5.0051 5.5043 5.5043 6.9826 6.9826 7.0700 7.0700 7.3446 7.3446 7.3628 7.3628 8.3292 8.3292 8.5842 8.5842 8.7666 8.7666 9.1323 9.1323 9.4751 9.4751 9.5817 9.5817 9.7405 9.7405 9.8388 9.8388 10.1145 10.1145 10.5835 10.5835 10.9436 10.9436 10.9712 10.9712 11.1736 11.1736 11.4290 11.4290 11.4629 11.4629 12.9117 12.9117 13.4652 13.4652 13.9969 13.9969 14.1107 14.1107 k = 0.0000 0.4205-0.0000 ( 4600 PWs) bands (ev): -0.4936 -0.4936 -0.0077 -0.0077 0.3687 0.3687 1.2609 1.2609 5.0047 5.0047 5.4495 5.4495 7.0405 7.0405 7.0801 7.0801 7.3204 7.3204 7.3770 7.3770 8.3377 8.3377 8.5558 8.5558 8.7985 8.7985 9.1468 9.1468 9.4946 9.4946 9.5844 9.5844 9.7725 9.7725 9.8097 9.8097 10.0754 10.0754 10.5870 10.5870 10.8937 10.8937 10.9894 10.9894 11.1626 11.1626 11.3570 11.3570 11.4560 11.4560 12.7935 12.7935 13.5228 13.5228 14.0354 14.0354 14.1005 14.1005 k = 0.0000 0.4318-0.0000 ( 4592 PWs) bands (ev): -0.4046 -0.4046 0.0532 0.0532 0.3427 0.3427 1.1384 1.1384 5.0091 5.0091 5.3965 5.3965 7.0878 7.0878 7.0989 7.0989 7.2967 7.2967 7.3882 7.3882 8.3457 8.3457 8.5289 8.5289 8.8308 8.8308 9.1493 9.1493 9.5150 9.5150 9.5887 9.5887 9.7798 9.7798 9.8217 9.8217 10.0328 10.0328 10.5983 10.5983 10.8235 10.8235 10.9913 10.9913 11.1538 11.1538 11.2979 11.2979 11.4822 11.4822 12.6759 12.6759 13.5786 13.5786 14.0613 14.0613 14.0944 14.0944 k = 0.0000 0.4432-0.0000 ( 4594 PWs) bands (ev): -0.3163 -0.3163 0.1161 0.1161 0.3122 0.3122 1.0193 1.0193 5.0183 5.0183 5.3455 5.3455 7.1013 7.1013 7.1491 7.1491 7.2742 7.2742 7.3952 7.3952 8.3536 8.3536 8.5036 8.5036 8.8633 8.8633 9.1416 9.1416 9.5349 9.5349 9.5953 9.5953 9.7559 9.7559 9.8807 9.8807 9.9885 9.9885 10.6160 10.6160 10.7443 10.7443 10.9704 10.9704 11.1468 11.1468 11.2515 11.2515 11.5373 11.5373 12.5594 12.5594 13.6324 13.6324 14.0481 14.0481 14.1196 14.1196 k = 0.0000 0.4545-0.0000 ( 4598 PWs) bands (ev): -0.2296 -0.2296 0.1815 0.1815 0.2768 0.2768 0.9040 0.9040 5.0322 5.0322 5.2969 5.2969 7.1139 7.1139 7.1962 7.1962 7.2540 7.2540 7.3972 7.3972 8.3618 8.3618 8.4802 8.4802 8.8960 8.8960 9.1263 9.1263 9.5525 9.5525 9.6047 9.6047 9.7365 9.7365 9.9414 9.9414 9.9526 9.9526 10.6388 10.6388 10.6586 10.6586 10.9359 10.9359 11.1416 11.1416 11.2160 11.2160 11.6123 11.6123 12.4440 12.4440 13.6844 13.6844 14.0206 14.0206 14.1523 14.1523 k = 0.0000 0.4659-0.0000 ( 4602 PWs) bands (ev): -0.1459 -0.1459 0.2320 0.2320 0.2547 0.2547 0.7931 0.7931 5.0508 5.0508 5.2511 5.2511 7.1273 7.1273 7.2224 7.2224 7.2514 7.2514 7.3937 7.3937 8.3708 8.3708 8.4586 8.4586 8.9285 8.9285 9.1054 9.1054 9.5673 9.5673 9.6144 9.6144 9.7261 9.7261 9.8990 9.8990 10.0282 10.0282 10.5681 10.5681 10.6664 10.6664 10.8952 10.8952 11.1386 11.1386 11.1894 11.1894 11.6996 11.6996 12.3301 12.3301 13.7343 13.7343 13.9881 13.9881 14.1837 14.1837 k = 0.0000 0.4773-0.0000 ( 4602 PWs) bands (ev): -0.0666 -0.0666 0.1876 0.1876 0.3265 0.3265 0.6873 0.6873 5.0740 5.0740 5.2084 5.2084 7.1417 7.1417 7.2083 7.2083 7.2854 7.2854 7.3842 7.3842 8.3809 8.3809 8.4391 8.4391 8.9608 8.9608 9.0805 9.0805 9.5799 9.5799 9.6181 9.6181 9.7300 9.7300 9.8563 9.8563 10.1115 10.1115 10.4756 10.4756 10.6976 10.6976 10.8526 10.8526 11.1381 11.1381 11.1697 11.1697 11.7949 11.7949 12.2180 12.2180 13.7822 13.7822 13.9520 13.9520 14.2131 14.2131 k = 0.0000 0.4886-0.0000 ( 4598 PWs) bands (ev): 0.0071 0.0071 0.1344 0.1344 0.4066 0.4066 0.5872 0.5872 5.1016 5.1016 5.1690 5.1690 7.1571 7.1571 7.1905 7.1905 7.3187 7.3187 7.3685 7.3685 8.3926 8.3926 8.4215 8.4215 8.9925 8.9925 9.0529 9.0529 9.5918 9.5918 9.6132 9.6132 9.7495 9.7495 9.8160 9.8160 10.1991 10.1991 10.3823 10.3823 10.7324 10.7324 10.8105 10.8105 11.1405 11.1405 11.1557 11.1557 11.8956 11.8956 12.1079 12.1079 13.8280 13.8280 13.9131 13.9131 14.2400 14.2400 k = 0.0000 0.5000-0.0000 ( 4600 PWs) bands (ev): 0.0743 0.0743 0.0743 0.0743 0.4935 0.4935 0.4935 0.4935 5.1333 5.1333 5.1333 5.1333 7.1733 7.1733 7.1733 7.1733 7.3466 7.3466 7.3466 7.3466 8.4061 8.4061 8.4061 8.4061 9.0234 9.0234 9.0234 9.0234 9.6033 9.6033 9.6033 9.6033 9.7796 9.7796 9.7796 9.7796 10.2898 10.2898 10.2898 10.2898 10.7702 10.7702 10.7702 10.7702 11.1461 11.1461 11.1461 11.1461 12.0002 12.0002 12.0002 12.0002 13.8717 13.8717 13.8717 13.8717 14.2643 14.2643 k = 0.0000 0.5000-0.0000 ( 4600 PWs) bands (ev): 0.0743 0.0743 0.0743 0.0743 0.4935 0.4935 0.4935 0.4935 5.1333 5.1333 5.1333 5.1333 7.1733 7.1733 7.1733 7.1733 7.3466 7.3466 7.3466 7.3466 8.4061 8.4061 8.4061 8.4061 9.0234 9.0234 9.0234 9.0234 9.6033 9.6033 9.6033 9.6033 9.7796 9.7796 9.7796 9.7796 10.2898 10.2898 10.2898 10.2898 10.7702 10.7702 10.7702 10.7702 11.1461 11.1461 11.1461 11.1461 12.0002 12.0002 12.0002 12.0002 13.8717 13.8717 13.8717 13.8717 14.2643 14.2643 k = 0.0114 0.5000-0.0000 ( 4606 PWs) bands (ev): 0.0748 0.0748 0.0750 0.0750 0.4944 0.4944 0.4946 0.4946 5.1329 5.1329 5.1343 5.1343 7.1716 7.1716 7.1733 7.1733 7.3462 7.3462 7.3485 7.3485 8.4052 8.4052 8.4073 8.4073 9.0202 9.0202 9.0232 9.0232 9.6031 9.6031 9.6035 9.6035 9.7737 9.7737 9.7750 9.7750 10.2739 10.2739 10.2784 10.2784 10.7508 10.7508 10.7699 10.7699 11.1488 11.1488 11.1660 11.1660 12.0194 12.0194 12.0222 12.0222 13.8698 13.8698 13.8744 13.8744 14.2583 14.2583 k = 0.0227 0.5000-0.0000 ( 4602 PWs) bands (ev): 0.0767 0.0767 0.0771 0.0771 0.4973 0.4973 0.4976 0.4976 5.1330 5.1330 5.1357 5.1357 7.1683 7.1683 7.1714 7.1714 7.3473 7.3473 7.3519 7.3519 8.4046 8.4046 8.4087 8.4087 9.0138 9.0138 9.0196 9.0196 9.6017 9.6017 9.6031 9.6031 9.7569 9.7569 9.7591 9.7591 10.2346 10.2346 10.2439 10.2439 10.7172 10.7172 10.7508 10.7508 11.1728 11.1728 11.2031 11.2031 12.0774 12.0774 12.0827 12.0827 13.8688 13.8688 13.8781 13.8781 14.2445 14.2445 k = 0.0341 0.5000-0.0000 ( 4606 PWs) bands (ev): 0.0798 0.0798 0.0804 0.0804 0.5022 0.5022 0.5027 0.5027 5.1336 5.1336 5.1377 5.1377 7.1635 7.1635 7.1678 7.1678 7.3499 7.3499 7.3564 7.3564 8.4042 8.4042 8.4105 8.4105 9.0042 9.0042 9.0128 9.0128 9.5947 9.5947 9.5993 9.5993 9.7296 9.7296 9.7312 9.7312 10.1817 10.1817 10.1962 10.1962 10.6758 10.6758 10.7189 10.7189 11.2118 11.2118 11.2505 11.2505 12.1680 12.1680 12.1755 12.1755 13.8686 13.8686 13.8830 13.8830 14.2239 14.2239 k = 0.0455 0.5000-0.0000 ( 4598 PWs) bands (ev): 0.0841 0.0841 0.0849 0.0849 0.5091 0.5091 0.5098 0.5098 5.1347 5.1347 5.1400 5.1400 7.1576 7.1576 7.1628 7.1628 7.3539 7.3539 7.3619 7.3619 8.4040 8.4040 8.4125 8.4125 8.9918 8.9918 9.0030 9.0030 9.5700 9.5700 9.5817 9.5817 9.6968 9.6968 9.6992 9.6992 10.1275 10.1275 10.1473 10.1473 10.6311 10.6311 10.6804 10.6804 11.2592 11.2592 11.3034 11.3034 12.2836 12.2836 12.2931 12.2931 13.8690 13.8690 13.8890 13.8890 14.1980 14.1980 k = 0.0568 0.5000-0.0000 ( 4602 PWs) bands (ev): 0.0897 0.0897 0.0908 0.0908 0.5181 0.5181 0.5189 0.5189 5.1362 5.1362 5.1427 5.1427 7.1509 7.1509 7.1565 7.1565 7.3591 7.3591 7.3682 7.3682 8.4039 8.4039 8.4147 8.4147 8.9767 8.9767 8.9902 8.9902 9.5103 9.5103 9.5288 9.5288 9.6741 9.6741 9.6808 9.6808 10.0814 10.0814 10.1060 10.1060 10.5858 10.5858 10.6395 10.6395 11.3110 11.3110 11.3590 11.3590 12.4174 12.4174 12.4286 12.4286 13.8696 13.8696 13.8963 13.8963 14.1683 14.1683 k = 0.0682 0.5000-0.0000 ( 4602 PWs) bands (ev): 0.0965 0.0965 0.0978 0.0978 0.5290 0.5290 0.5300 0.5300 5.1379 5.1379 5.1457 5.1457 7.1436 7.1436 7.1494 7.1494 7.3651 7.3651 7.3749 7.3749 8.4038 8.4038 8.4169 8.4169 8.9589 8.9589 8.9745 8.9745 9.4164 9.4164 9.4374 9.4374 9.6682 9.6682 9.6755 9.6755 10.0466 10.0466 10.0753 10.0753 10.5417 10.5417 10.5989 10.5989 11.3644 11.3644 11.4152 11.4152 12.5637 12.5637 12.5765 12.5765 13.8698 13.8698 13.9046 13.9046 14.1374 14.1374 k = 0.0795 0.5000-0.0000 ( 4610 PWs) bands (ev): 0.1045 0.1045 0.1059 0.1059 0.5420 0.5420 0.5432 0.5432 5.1398 5.1398 5.1487 5.1487 7.1359 7.1359 7.1417 7.1417 7.3719 7.3719 7.3821 7.3821 8.4035 8.4035 8.4191 8.4191 8.9377 8.9377 8.9554 8.9554 9.3014 9.3014 9.3229 9.3229 9.6691 9.6691 9.6755 9.6755 10.0218 10.0218 10.0541 10.0541 10.5001 10.5001 10.5601 10.5601 11.4178 11.4178 11.4710 11.4710 12.7178 12.7178 12.7323 12.7323 13.8677 13.8677 13.9124 13.9124 14.1082 14.1082 k = 0.0909 0.5000-0.0000 ( 4610 PWs) bands (ev): 0.1135 0.1135 0.1152 0.1152 0.5569 0.5569 0.5583 0.5583 5.1418 5.1418 5.1518 5.1518 7.1282 7.1282 7.1337 7.1337 7.3791 7.3791 7.3895 7.3895 8.4025 8.4025 8.4207 8.4207 8.9110 8.9110 8.9308 8.9308 9.1770 9.1770 9.1985 9.1985 9.6713 9.6713 9.6762 9.6762 10.0043 10.0043 10.0402 10.0402 10.4618 10.4618 10.5243 10.5243 11.4702 11.4702 11.5253 11.5253 12.8760 12.8760 12.8922 12.8922 13.8604 13.8604 13.9159 13.9159 14.0788 14.0788 k = 0.1023 0.5000-0.0000 ( 4606 PWs) bands (ev): 0.1236 0.1236 0.1255 0.1255 0.5739 0.5739 0.5755 0.5755 5.1437 5.1437 5.1547 5.1547 7.1206 7.1206 7.1257 7.1257 7.3868 7.3868 7.3970 7.3970 8.3999 8.3999 8.4211 8.4211 8.8707 8.8707 8.8931 8.8931 9.0580 9.0580 9.0790 9.0790 9.6721 9.6721 9.6753 9.6753 9.9922 9.9922 10.0315 10.0315 10.4276 10.4276 10.4923 10.4923 11.5206 11.5206 11.5774 11.5774 13.0349 13.0349 13.0529 13.0529 13.8441 13.8441 13.9068 13.9068 14.0655 14.0655 k = 0.1136 0.5000-0.0000 ( 4602 PWs) bands (ev): 0.1347 0.1347 0.1368 0.1368 0.5929 0.5929 0.5948 0.5948 5.1454 5.1454 5.1573 5.1573 7.1132 7.1132 7.1180 7.1180 7.3947 7.3947 7.4047 7.4047 8.3938 8.3938 8.4181 8.4181 8.7972 8.7972 8.8224 8.8224 8.9700 8.9700 8.9902 8.9902 9.6698 9.6698 9.6713 9.6713 9.9842 9.9842 10.0268 10.0268 10.3979 10.3979 10.4644 10.4644 11.5685 11.5685 11.6267 11.6267 13.1910 13.1910 13.2108 13.2108 13.8172 13.8172 13.8796 13.8796 14.0763 14.0763 k = 0.1250 0.5000-0.0000 ( 4610 PWs) bands (ev): 0.1466 0.1466 0.1490 0.1490 0.6140 0.6140 0.6161 0.6161 5.1466 5.1466 5.1594 5.1594 7.1064 7.1064 7.1106 7.1106 7.4026 7.4026 7.4123 7.4123 8.3794 8.3794 8.4062 8.4062 8.6903 8.6903 8.7165 8.7165 8.9215 8.9215 8.9422 8.9422 9.6633 9.6633 9.6634 9.6634 9.9799 9.9799 10.0254 10.0254 10.3728 10.3728 10.4409 10.4409 11.6133 11.6133 11.6727 11.6727 13.3406 13.3406 13.3619 13.3619 13.7814 13.7814 13.8395 13.8395 14.1092 14.1092 k = 0.1364 0.5000-0.0000 ( 4610 PWs) bands (ev): 0.1595 0.1595 0.1621 0.1621 0.6371 0.6371 0.6394 0.6394 5.1474 5.1474 5.1609 5.1609 7.1001 7.1001 7.1039 7.1039 7.4105 7.4105 7.4198 7.4198 8.3442 8.3442 8.3683 8.3683 8.5902 8.5902 8.6119 8.6119 8.8913 8.8913 8.9131 8.9131 9.6507 9.6507 9.6522 9.6522 9.9789 9.9789 10.0269 10.0269 10.3524 10.3524 10.4214 10.4214 11.6546 11.6546 11.7149 11.7149 13.4795 13.4795 13.5013 13.5013 13.7404 13.7404 13.7936 13.7936 14.1609 14.1609 k = 0.1477 0.5000-0.0000 ( 4614 PWs) bands (ev): 0.1731 0.1731 0.1760 0.1760 0.6621 0.6621 0.6647 0.6647 5.1475 5.1475 5.1616 5.1616 7.0944 7.0944 7.0977 7.0977 7.4181 7.4181 7.4271 7.4271 8.2680 8.2680 8.2794 8.2794 8.5351 8.5351 8.5423 8.5423 8.8678 8.8678 8.8905 8.8905 9.6334 9.6334 9.6361 9.6361 9.9809 9.9809 10.0307 10.0307 10.3360 10.3360 10.4057 10.4057 11.6920 11.6920 11.7531 11.7531 13.6031 13.6031 13.6221 13.6221 13.6996 13.6996 13.7466 13.7466 14.2304 14.2304 k = 0.1591 0.5000-0.0000 ( 4606 PWs) bands (ev): 0.1875 0.1875 0.1905 0.1905 0.6892 0.6892 0.6920 0.6920 5.1468 5.1468 5.1614 5.1614 7.0893 7.0893 7.0922 7.0922 7.4251 7.4251 7.4340 7.4340 8.1522 8.1522 8.1526 8.1526 8.5115 8.5115 8.5173 8.5173 8.8474 8.8474 8.8709 8.8709 9.6119 9.6119 9.6155 9.6155 9.9855 9.9855 10.0367 10.0367 10.3233 10.3233 10.3932 10.3932 11.7254 11.7254 11.7870 11.7870 13.6443 13.6443 13.6831 13.6831 13.7265 13.7265 13.7384 13.7384 14.3169 14.3169 k = 0.1705 0.5000-0.0000 ( 4592 PWs) bands (ev): 0.2024 0.2024 0.2057 0.2057 0.7183 0.7183 0.7213 0.7213 5.1451 5.1451 5.1600 5.1600 7.0845 7.0845 7.0871 7.0871 7.4310 7.4310 7.4401 7.4401 8.0117 8.0117 8.0191 8.0191 8.5008 8.5008 8.5146 8.5146 8.8289 8.8289 8.8531 8.8531 9.5868 9.5868 9.5910 9.5910 9.9920 9.9920 10.0442 10.0442 10.3136 10.3136 10.3834 10.3834 11.7546 11.7546 11.8164 11.8164 13.6024 13.6024 13.6461 13.6461 13.8090 13.8090 13.8248 13.8248 14.4172 14.4172 k = 0.1818 0.5000-0.0000 ( 4592 PWs) bands (ev): 0.2180 0.2180 0.2215 0.2215 0.7493 0.7493 0.7526 0.7526 5.1423 5.1423 5.1576 5.1576 7.0796 7.0796 7.0818 7.0818 7.4346 7.4346 7.4446 7.4446 7.8693 7.8693 7.8819 7.8819 8.4991 8.4991 8.5179 8.5179 8.8118 8.8118 8.8367 8.8367 9.5586 9.5586 9.5634 9.5634 9.9996 9.9996 10.0527 10.0527 10.3061 10.3061 10.3757 10.3757 11.7796 11.7796 11.8413 11.8413 13.5605 13.5605 13.6028 13.6028 13.8873 13.8873 13.8998 13.8998 14.5257 14.5257 k = 0.1932 0.5000-0.0000 ( 4592 PWs) bands (ev): 0.2340 0.2340 0.2377 0.2377 0.7823 0.7823 0.7858 0.7858 5.1385 5.1385 5.1538 5.1538 7.0735 7.0735 7.0753 7.0753 7.4330 7.4330 7.4450 7.4450 7.7325 7.7325 7.7502 7.7502 8.5018 8.5018 8.5243 8.5243 8.7960 8.7960 8.8215 8.8215 9.5282 9.5282 9.5335 9.5335 10.0078 10.0078 10.0616 10.0616 10.3002 10.3002 10.3694 10.3694 11.8005 11.8005 11.8618 11.8618 13.5213 13.5213 13.5624 13.5624 13.9568 13.9568 13.9662 13.9662 14.6364 14.6364 k = 0.2045 0.5000-0.0000 ( 4580 PWs) bands (ev): 0.2504 0.2504 0.2542 0.2542 0.8171 0.8171 0.8208 0.8208 5.1334 5.1334 5.1487 5.1487 7.0636 7.0636 7.0649 7.0649 7.4176 7.4176 7.4323 7.4323 7.6142 7.6142 7.6373 7.6373 8.5071 8.5071 8.5326 8.5326 8.7814 8.7814 8.8075 8.8075 9.4961 9.4961 9.5019 9.5019 10.0161 10.0161 10.0706 10.0706 10.2955 10.2955 10.3640 10.3640 11.8173 11.8173 11.8780 11.8780 13.4859 13.4859 13.5262 13.5262 14.0205 14.0205 14.0272 14.0272 14.7438 14.7438 k = 0.2159 0.5000-0.0000 ( 4582 PWs) bands (ev): 0.2671 0.2671 0.2711 0.2711 0.8537 0.8537 0.8576 0.8576 5.1271 5.1271 5.1423 5.1423 7.0447 7.0447 7.0451 7.0451 7.3722 7.3722 7.3831 7.3831 7.5444 7.5444 7.5664 7.5664 8.5143 8.5143 8.5422 8.5422 8.7680 8.7680 8.7945 8.7945 9.4630 9.4630 9.4692 9.4692 10.0239 10.0239 10.0792 10.0792 10.2913 10.2913 10.3592 10.3592 11.8303 11.8303 11.8901 11.8901 13.4550 13.4550 13.4949 13.4949 14.0803 14.0803 14.0850 14.0850 14.8441 14.8441 k = 0.2273 0.5000-0.0000 ( 4576 PWs) bands (ev): 0.2841 0.2841 0.2883 0.2883 0.8920 0.8920 0.8962 0.8962 5.1195 5.1195 5.1345 5.1345 7.0046 7.0046 7.0052 7.0052 7.3055 7.3055 7.3071 7.3071 7.5254 7.5254 7.5406 7.5406 8.5228 8.5228 8.5529 8.5529 8.7557 8.7557 8.7828 8.7828 9.4292 9.4292 9.4358 9.4358 10.0309 10.0309 10.0871 10.0871 10.2873 10.2873 10.3545 10.3545 11.8397 11.8397 11.8983 11.8983 13.4295 13.4295 13.4693 13.4693 14.1373 14.1373 14.1408 14.1408 14.9349 14.9349 k = 0.2386 0.5000-0.0000 ( 4576 PWs) bands (ev): 0.3012 0.3012 0.3055 0.3055 0.9320 0.9320 0.9364 0.9364 5.1107 5.1107 5.1254 5.1254 6.9314 6.9314 6.9321 6.9321 7.2502 7.2502 7.2542 7.2542 7.5247 7.5247 7.5358 7.5358 8.5323 8.5323 8.5642 8.5642 8.7447 8.7447 8.7721 8.7721 9.3951 9.3951 9.4021 9.4021 10.0367 10.0367 10.0938 10.0938 10.2831 10.2831 10.3496 10.3496 11.8459 11.8459 11.9030 11.9030 13.4098 13.4098 13.4498 13.4498 14.1923 14.1923 14.1950 14.1950 15.0156 15.0156 k = 0.2500 0.5000-0.0000 ( 4572 PWs) bands (ev): 0.3185 0.3185 0.3228 0.3228 0.9736 0.9736 0.9781 0.9781 5.1008 5.1008 5.1150 5.1150 6.8279 6.8279 6.8282 6.8282 7.2228 7.2228 7.2291 7.2291 7.5297 7.5297 7.5387 7.5387 8.5427 8.5427 8.5762 8.5762 8.7348 8.7348 8.7627 8.7627 9.3610 9.3610 9.3684 9.3684 10.0413 10.0413 10.0992 10.0992 10.2787 10.2787 10.3443 10.3443 11.8492 11.8492 11.9044 11.9044 13.3964 13.3964 13.4368 13.4368 14.2452 14.2452 14.2477 14.2477 15.0861 15.0861 k = 0.2614 0.5000-0.0000 ( 4572 PWs) bands (ev): 0.3357 0.3357 0.3401 0.3401 1.0166 1.0166 1.0213 1.0213 5.0898 5.0898 5.1035 5.1035 6.7069 6.7069 6.7085 6.7085 7.2140 7.2140 7.2213 7.2213 7.5371 7.5371 7.5450 7.5450 8.5538 8.5538 8.5885 8.5885 8.7264 8.7264 8.7545 8.7545 9.3272 9.3272 9.3349 9.3349 10.0443 10.0443 10.1030 10.1030 10.2739 10.2739 10.3385 10.3385 11.8499 11.8499 11.9032 11.9032 13.3895 13.3895 13.4306 13.4306 14.2960 14.2960 14.2987 14.2987 15.1471 15.1472 k = 0.2727 0.5000-0.0000 ( 4584 PWs) bands (ev): 0.3528 0.3528 0.3573 0.3573 1.0609 1.0609 1.0658 1.0658 5.0779 5.0779 5.0910 5.0910 6.5793 6.5793 6.5819 6.5819 7.2149 7.2149 7.2229 7.2229 7.5460 7.5460 7.5531 7.5531 8.5652 8.5652 8.6007 8.6007 8.7195 8.7195 8.7476 8.7476 9.2937 9.2937 9.3017 9.3017 10.0457 10.0457 10.1050 10.1050 10.2685 10.2685 10.3319 10.3319 11.8485 11.8485 11.8996 11.8996 13.3894 13.3894 13.4312 13.4312 14.3443 14.3443 14.3475 14.3475 15.1998 15.1998 k = 0.2841 0.5000-0.0000 ( 4584 PWs) bands (ev): 0.3698 0.3698 0.3743 0.3743 1.1065 1.1065 1.1114 1.1114 5.0651 5.0651 5.0776 5.0776 6.4499 6.4499 6.4534 6.4534 7.2211 7.2211 7.2297 7.2297 7.5558 7.5558 7.5623 7.5623 8.5767 8.5767 8.6125 8.6125 8.7145 8.7145 8.7421 8.7421 9.2607 9.2607 9.2689 9.2689 10.0455 10.0455 10.1053 10.1053 10.2626 10.2626 10.3247 10.3247 11.8455 11.8455 11.8942 11.8942 13.3960 13.3960 13.4388 13.4388 14.3897 14.3897 14.3938 14.3938 15.2450 15.2451 k = 0.2955 0.5000-0.0000 ( 4578 PWs) bands (ev): 0.3865 0.3865 0.3910 0.3910 1.1530 1.1530 1.1580 1.1580 5.0516 5.0516 5.0634 5.0634 6.3213 6.3213 6.3254 6.3254 7.2304 7.2304 7.2395 7.2395 7.5665 7.5665 7.5725 7.5725 8.5880 8.5880 8.6231 8.6231 8.7120 8.7120 8.7384 8.7384 9.2283 9.2283 9.2367 9.2367 10.0436 10.0436 10.1035 10.1035 10.2564 10.2564 10.3168 10.3168 11.8412 11.8412 11.8874 11.8874 13.4093 13.4093 13.4531 13.4531 14.4317 14.4317 14.4370 14.4370 15.2839 15.2839 k = 0.3068 0.5000-0.0000 ( 4578 PWs) bands (ev): 0.4030 0.4030 0.4074 0.4074 1.2003 1.2003 1.2054 1.2054 5.0376 5.0376 5.0487 5.0487 6.1947 6.1947 6.1993 6.1993 7.2416 7.2416 7.2512 7.2512 7.5779 7.5779 7.5835 7.5835 8.5986 8.5986 8.6317 8.6317 8.7125 8.7125 8.7366 8.7366 9.1966 9.1966 9.2051 9.2051 10.0401 10.0401 10.0997 10.0997 10.2497 10.2497 10.3083 10.3083 11.8361 11.8361 11.8796 11.8796 13.4290 13.4290 13.4739 13.4739 14.4700 14.4700 14.4767 14.4767 15.3172 15.3173 k = 0.3182 0.5000-0.0000 ( 4586 PWs) bands (ev): 0.4190 0.4190 0.4233 0.4233 1.2482 1.2482 1.2534 1.2534 5.0232 5.0232 5.0336 5.0336 6.0710 6.0710 6.0760 6.0760 7.2539 7.2539 7.2639 7.2639 7.5900 7.5900 7.5953 7.5953 8.6081 8.6081 8.6376 8.6376 8.7167 8.7167 8.7370 8.7370 9.1656 9.1656 9.1741 9.1741 10.0351 10.0351 10.0940 10.0940 10.2429 10.2429 10.2992 10.2992 11.8304 11.8304 11.8712 11.8712 13.4549 13.4549 13.5009 13.5009 14.5041 14.5041 14.5124 14.5124 15.3460 15.3460 k = 0.3295 0.5000-0.0000 ( 4586 PWs) bands (ev): 0.4345 0.4345 0.4388 0.4388 1.2965 1.2965 1.3016 1.3016 5.0087 5.0087 5.0183 5.0183 5.9509 5.9509 5.9561 5.9561 7.2669 7.2669 7.2770 7.2770 7.6028 7.6028 7.6078 7.6078 8.6160 8.6160 8.6407 8.6407 8.7244 8.7244 8.7399 8.7399 9.1354 9.1354 9.1439 9.1439 10.0289 10.0289 10.0865 10.0865 10.2360 10.2360 10.2896 10.2896 11.8246 11.8246 11.8626 11.8626 13.4865 13.4865 13.5338 13.5338 14.5337 14.5337 14.5438 14.5438 15.3707 15.3708 k = 0.3409 0.5000-0.0000 ( 4590 PWs) bands (ev): 0.4495 0.4495 0.4536 0.4536 1.3448 1.3448 1.3499 1.3499 4.9941 4.9941 5.0030 5.0030 5.8349 5.8349 5.8403 5.8403 7.2799 7.2799 7.2903 7.2903 7.6163 7.6163 7.6209 7.6209 8.6221 8.6221 8.6416 8.6416 8.7350 8.7350 8.7453 8.7453 9.1061 9.1061 9.1144 9.1144 10.0215 10.0215 10.0774 10.0774 10.2290 10.2290 10.2797 10.2797 11.8189 11.8189 11.8540 11.8540 13.5235 13.5235 13.5719 13.5719 14.5587 14.5587 14.5707 14.5707 15.3919 15.3919 k = 0.3523 0.5000-0.0000 ( 4586 PWs) bands (ev): 0.4639 0.4639 0.4678 0.4678 1.3929 1.3929 1.3980 1.3980 4.9798 4.9798 4.9879 4.9879 5.7235 5.7235 5.7290 5.7290 7.2929 7.2929 7.3032 7.3032 7.6304 7.6304 7.6347 7.6347 8.6263 8.6263 8.6411 8.6411 8.7473 8.7473 8.7530 8.7530 9.0777 9.0777 9.0858 9.0858 10.0132 10.0132 10.0669 10.0669 10.2221 10.2221 10.2696 10.2696 11.8134 11.8134 11.8457 11.8457 13.5653 13.5653 13.6148 13.6148 14.5787 14.5787 14.5929 14.5929 15.4098 15.4099 k = 0.3636 0.5000-0.0000 ( 4590 PWs) bands (ev): 0.4775 0.4775 0.4813 0.4813 1.4404 1.4404 1.4453 1.4453 4.9657 4.9657 4.9730 4.9730 5.6172 5.6172 5.6227 5.6227 7.3054 7.3054 7.3156 7.3156 7.6449 7.6449 7.6490 7.6490 8.6289 8.6289 8.6398 8.6398 8.7606 8.7606 8.7627 8.7627 9.0504 9.0504 9.0582 9.0582 10.0044 10.0044 10.0554 10.0554 10.2155 10.2155 10.2594 10.2594 11.8084 11.8084 11.8379 11.8379 13.6113 13.6113 13.6619 13.6619 14.5940 14.5940 14.6103 14.6103 15.4247 15.4247 k = 0.3750 0.5000-0.0000 ( 4590 PWs) bands (ev): 0.4904 0.4904 0.4940 0.4940 1.4869 1.4869 1.4917 1.4917 4.9522 4.9522 4.9587 4.9587 5.5164 5.5164 5.5218 5.5218 7.3173 7.3173 7.3272 7.3272 7.6599 7.6599 7.6637 7.6637 8.6302 8.6302 8.6381 8.6381 8.7737 8.7737 8.7742 8.7742 9.0241 9.0241 9.0315 9.0315 9.9952 9.9952 10.0431 10.0431 10.2090 10.2090 10.2494 10.2494 11.8038 11.8038 11.8306 11.8306 13.6609 13.6609 13.7126 13.7126 14.6043 14.6043 14.6230 14.6230 15.4367 15.4367 k = 0.3864 0.5000-0.0000 ( 4588 PWs) bands (ev): 0.5025 0.5025 0.5058 0.5058 1.5320 1.5320 1.5366 1.5366 4.9393 4.9393 4.9450 4.9450 5.4216 5.4216 5.4270 5.4270 7.3284 7.3284 7.3378 7.3378 7.6750 7.6750 7.6787 7.6787 8.6306 8.6306 8.6363 8.6363 8.7855 8.7855 8.7877 8.7877 8.9992 8.9992 9.0061 9.0061 9.9860 9.9860 10.0304 10.0304 10.2029 10.2029 10.2395 10.2395 11.7999 11.7999 11.8240 11.8240 13.7136 13.7136 13.7660 13.7660 14.6100 14.6100 14.6310 14.6310 15.4460 15.4460 k = 0.3977 0.5000-0.0000 ( 4592 PWs) bands (ev): 0.5136 0.5136 0.5167 0.5167 1.5752 1.5752 1.5796 1.5796 4.9272 4.9272 4.9322 4.9322 5.3334 5.3334 5.3386 5.3386 7.3386 7.3386 7.3474 7.3474 7.6900 7.6900 7.6935 7.6935 8.6304 8.6304 8.6346 8.6346 8.7976 8.7976 8.8007 8.8007 8.9757 8.9757 8.9819 8.9819 9.9770 9.9770 10.0177 10.0177 10.1972 10.1972 10.2300 10.2300 11.7966 11.7966 11.8180 11.8180 13.7685 13.7685 13.8213 13.8213 14.6111 14.6111 14.6344 14.6344 15.4528 15.4528 k = 0.4091 0.5000-0.0000 ( 4592 PWs) bands (ev): 0.5238 0.5238 0.5266 0.5266 1.6161 1.6161 1.6201 1.6201 4.9160 4.9160 4.9202 4.9202 5.2523 5.2523 5.2573 5.2573 7.3479 7.3479 7.3560 7.3560 7.7048 7.7048 7.7081 7.7081 8.6298 8.6298 8.6329 8.6329 8.8095 8.8095 8.8128 8.8128 8.9538 8.9538 8.9593 8.9593 9.9685 9.9685 10.0052 10.0052 10.1920 10.1920 10.2210 10.2210 11.7939 11.7939 11.8128 11.8128 13.8248 13.8248 13.8778 13.8778 14.6079 14.6079 14.6335 14.6335 15.4573 15.4573 k = 0.4205 0.5000-0.0000 ( 4590 PWs) bands (ev): 0.5329 0.5329 0.5354 0.5354 1.6540 1.6540 1.6577 1.6577 4.9059 4.9059 4.9093 4.9093 5.1789 5.1789 5.1837 5.1837 7.3561 7.3561 7.3634 7.3634 7.7189 7.7189 7.7220 7.7220 8.6290 8.6290 8.6314 8.6314 8.8208 8.8208 8.8239 8.8239 8.9339 8.9339 8.9384 8.9384 9.9608 9.9608 9.9933 9.9933 10.1873 10.1873 10.2126 10.2126 11.7918 11.7918 11.8081 11.8081 13.8817 13.8817 13.9343 13.9343 14.6008 14.6008 14.6284 14.6284 15.4599 15.4599 k = 0.4318 0.5000-0.0000 ( 4594 PWs) bands (ev): 0.5410 0.5410 0.5431 0.5431 1.6885 1.6885 1.6918 1.6918 4.8969 4.8969 4.8996 4.8996 5.1138 5.1138 5.1183 5.1183 7.3633 7.3633 7.3697 7.3697 7.7322 7.7322 7.7350 7.7350 8.6282 8.6282 8.6301 8.6301 8.8313 8.8313 8.8337 8.8337 8.9161 8.9161 8.9195 8.9195 9.9539 9.9539 9.9821 9.9821 10.1832 10.1832 10.2048 10.2048 11.7902 11.7902 11.8041 11.8041 13.9382 13.9382 13.9896 13.9896 14.5902 14.5902 14.6194 14.6194 15.4610 15.4610 k = 0.4432 0.5000-0.0000 ( 4578 PWs) bands (ev): 0.5479 0.5479 0.5497 0.5497 1.7189 1.7189 1.7217 1.7217 4.8891 4.8891 4.8911 4.8911 5.0575 5.0575 5.0616 5.0616 7.3695 7.3695 7.3749 7.3749 7.7442 7.7442 7.7466 7.7466 8.6274 8.6274 8.6289 8.6289 8.8405 8.8405 8.8418 8.8418 8.9010 8.9010 8.9030 8.9030 9.9483 9.9483 9.9720 9.9720 10.1799 10.1799 10.1978 10.1978 11.7892 11.7892 11.8007 11.8007 13.9931 13.9931 14.0422 14.0422 14.5769 14.5769 14.6069 14.6069 15.4609 15.4609 k = 0.4545 0.5000-0.0000 ( 4566 PWs) bands (ev): 0.5537 0.5537 0.5551 0.5551 1.7447 1.7447 1.7471 1.7471 4.8827 4.8827 4.8839 4.8839 5.0107 5.0107 5.0144 5.0144 7.3746 7.3746 7.3790 7.3790 7.7546 7.7546 7.7567 7.7567 8.6267 8.6267 8.6280 8.6280 8.8479 8.8479 8.8481 8.8481 8.8889 8.8889 8.8892 8.8892 9.9440 9.9440 9.9631 9.9631 10.1774 10.1774 10.1917 10.1917 11.7886 11.7886 11.7977 11.7977 14.0450 14.0450 14.0902 14.0902 14.5620 14.5620 14.5915 14.5915 15.4603 15.4604 k = 0.4659 0.5000-0.0000 ( 4570 PWs) bands (ev): 0.5582 0.5582 0.5593 0.5593 1.7655 1.7655 1.7673 1.7673 4.8775 4.8775 4.8781 4.8781 4.9738 4.9738 4.9770 4.9770 7.3787 7.3787 7.3820 7.3820 7.7631 7.7631 7.7647 7.7647 8.6262 8.6262 8.6271 8.6271 8.8516 8.8516 8.8536 8.8536 8.8788 8.8788 8.8804 8.8804 9.9410 9.9410 9.9554 9.9554 10.1758 10.1758 10.1864 10.1864 11.7884 11.7884 11.7952 11.7952 14.0921 14.0921 14.1310 14.1310 14.5474 14.5474 14.5743 14.5743 15.4595 15.4596 k = 0.4773 0.5000-0.0000 ( 4554 PWs) bands (ev): 0.5616 0.5616 0.5623 0.5623 1.7808 1.7808 1.7820 1.7820 4.8737 4.8737 4.8738 4.8738 4.9475 4.9475 4.9499 4.9499 7.3818 7.3818 7.3840 7.3840 7.7695 7.7695 7.7707 7.7707 8.6259 8.6259 8.6265 8.6265 8.8527 8.8527 8.8558 8.8558 8.8730 8.8730 8.8758 8.8758 9.9396 9.9396 9.9492 9.9492 10.1751 10.1751 10.1822 10.1822 11.7887 11.7887 11.7932 11.7932 14.1321 14.1321 14.1615 14.1615 14.5355 14.5355 14.5568 14.5568 15.4591 15.4593 k = 0.4886 0.5000-0.0000 ( 4560 PWs) bands (ev): 0.5636 0.5636 0.5640 0.5640 1.7902 1.7902 1.7908 1.7908 4.8712 4.8712 4.8713 4.8713 4.9319 4.9319 4.9333 4.9333 7.3839 7.3839 7.3850 7.3850 7.7736 7.7736 7.7742 7.7742 8.6257 8.6257 8.6260 8.6260 8.8525 8.8525 8.8546 8.8546 8.8719 8.8719 8.8738 8.8738 9.9396 9.9396 9.9444 9.9444 10.1753 10.1753 10.1789 10.1789 11.7893 11.7893 11.7915 11.7915 14.1619 14.1619 14.1780 14.1780 14.5296 14.5296 14.5416 14.5416 15.4596 15.4599 k = 0.5000 0.5000-0.0000 ( 4564 PWs) bands (ev): 0.5645 0.5645 0.5645 0.5645 1.7936 1.7936 1.7936 1.7936 4.8704 4.8704 4.8704 4.8704 4.9272 4.9272 4.9272 4.9272 7.3849 7.3849 7.3849 7.3849 7.7751 7.7751 7.7751 7.7751 8.6258 8.6258 8.6258 8.6258 8.8530 8.8530 8.8530 8.8530 8.8727 8.8727 8.8727 8.8727 9.9412 9.9412 9.9412 9.9412 10.1766 10.1766 10.1766 10.1766 11.7902 11.7902 11.7902 11.7902 14.1781 14.1781 14.1781 14.1781 14.5316 14.5316 14.5317 14.5317 15.4606 15.4606 k = 0.5000 0.5000-0.0000 ( 4564 PWs) bands (ev): 0.5645 0.5645 0.5645 0.5645 1.7936 1.7936 1.7936 1.7936 4.8704 4.8704 4.8704 4.8704 4.9272 4.9272 4.9272 4.9272 7.3849 7.3849 7.3849 7.3849 7.7751 7.7751 7.7751 7.7751 8.6258 8.6258 8.6258 8.6258 8.8530 8.8530 8.8530 8.8530 8.8727 8.8727 8.8727 8.8727 9.9412 9.9412 9.9412 9.9412 10.1766 10.1766 10.1766 10.1766 11.7902 11.7902 11.7902 11.7902 14.1781 14.1781 14.1781 14.1781 14.5316 14.5316 14.5317 14.5317 15.4606 15.4606 k = 0.4919 0.4919-0.0000 ( 4556 PWs) bands (ev): 0.5629 0.5629 0.5647 0.5647 1.7861 1.7861 1.7950 1.7950 4.8706 4.8706 4.8719 4.8719 4.9281 4.9281 4.9371 4.9371 7.3839 7.3839 7.3850 7.3850 7.7724 7.7724 7.7754 7.7754 8.6252 8.6252 8.6266 8.6266 8.8526 8.8526 8.8547 8.8547 8.8716 8.8716 8.8740 8.8740 9.9394 9.9394 9.9446 9.9446 10.1752 10.1752 10.1790 10.1790 11.7892 11.7892 11.7915 11.7915 14.1601 14.1601 14.1799 14.1799 14.5262 14.5262 14.5447 14.5447 15.4593 15.4595 k = 0.4839 0.4839-0.0000 ( 4562 PWs) bands (ev): 0.5584 0.5584 0.5654 0.5654 1.7638 1.7638 1.7991 1.7991 4.8715 4.8715 4.8761 4.8761 4.9310 4.9310 4.9666 4.9666 7.3818 7.3818 7.3840 7.3840 7.7642 7.7642 7.7758 7.7758 8.6234 8.6234 8.6290 8.6290 8.8535 8.8535 8.8578 8.8578 8.8695 8.8695 8.8765 8.8765 9.9381 9.9381 9.9507 9.9507 10.1741 10.1741 10.1831 10.1831 11.7884 11.7884 11.7934 11.7934 14.1224 14.1224 14.1734 14.1734 14.5168 14.5168 14.5729 14.5729 15.4579 15.4581 k = 0.4758 0.4758-0.0000 ( 4564 PWs) bands (ev): 0.5509 0.5509 0.5665 0.5665 1.7276 1.7276 1.8059 1.8059 4.8732 4.8732 4.8826 4.8826 4.9357 4.9357 5.0150 5.0150 7.3786 7.3786 7.3821 7.3821 7.7507 7.7507 7.7764 7.7764 8.6205 8.6205 8.6331 8.6331 8.8557 8.8557 8.8619 8.8619 8.8667 8.8667 8.8804 8.8804 9.9369 9.9369 9.9601 9.9601 10.1729 10.1729 10.1893 10.1893 11.7877 11.7877 11.7958 11.7958 14.0702 14.0702 14.1613 14.1613 14.5016 14.5016 14.6105 14.6105 15.4563 15.4563 k = 0.4677 0.4677-0.0000 ( 4564 PWs) bands (ev): 0.5403 0.5403 0.5680 0.5680 1.6788 1.6788 1.8154 1.8154 4.8757 4.8757 4.8916 4.8916 4.9425 4.9425 5.0811 5.0811 7.3743 7.3743 7.3791 7.3791 7.7321 7.7321 7.7769 7.7769 8.6167 8.6167 8.6388 8.6388 8.8581 8.8581 8.8621 8.8621 8.8689 8.8689 8.8859 8.8859 9.9357 9.9357 9.9730 9.9730 10.1715 10.1715 10.1974 10.1974 11.7869 11.7869 11.7988 11.7988 14.0094 14.0094 14.1445 14.1445 14.4802 14.4802 14.6517 14.6517 15.4542 15.4542 k = 0.4597 0.4597-0.0000 ( 4572 PWs) bands (ev): 0.5266 0.5266 0.5699 0.5699 1.6190 1.6190 1.8276 1.8276 4.8792 4.8792 4.9029 4.9029 4.9511 4.9511 5.1634 5.1634 7.3686 7.3686 7.3750 7.3750 7.7090 7.7090 7.7770 7.7770 8.6120 8.6120 8.6462 8.6462 8.8541 8.8541 8.8652 8.8652 8.8759 8.8759 8.8928 8.8928 9.9346 9.9346 9.9894 9.9894 10.1697 10.1697 10.2075 10.2075 11.7860 11.7860 11.8024 11.8024 13.9439 13.9439 14.1233 14.1233 14.4527 14.4527 14.6933 14.6933 15.4516 15.4516 k = 0.4516 0.4516-0.0000 ( 4576 PWs) bands (ev): 0.5099 0.5099 0.5722 0.5722 1.5497 1.5497 1.8426 1.8426 4.8838 4.8838 4.9166 4.9166 4.9618 4.9618 5.2602 5.2602 7.3612 7.3612 7.3700 7.3700 7.6819 7.6819 7.7762 7.7762 8.6066 8.6066 8.6552 8.6552 8.8470 8.8470 8.8713 8.8713 8.8845 8.8845 8.9013 8.9013 9.9338 9.9338 10.0095 10.0095 10.1676 10.1676 10.2193 10.2193 11.7850 11.7850 11.8064 11.8064 13.8763 13.8763 14.0982 14.0982 14.4191 14.4191 14.7334 14.7334 15.4485 15.4485 k = 0.4435 0.4435-0.0000 ( 4584 PWs) bands (ev): 0.4899 0.4899 0.5747 0.5747 1.4728 1.4728 1.8602 1.8602 4.8897 4.8897 4.9327 4.9327 4.9744 4.9744 5.3699 5.3699 7.3516 7.3516 7.3641 7.3641 7.6518 7.6518 7.7741 7.7741 8.6008 8.6008 8.6659 8.6659 8.8384 8.8384 8.8788 8.8788 8.8944 8.8944 8.9112 8.9112 9.9334 9.9334 10.0332 10.0332 10.1651 10.1651 10.2327 10.2327 11.7838 11.7838 11.8105 11.8105 13.8084 13.8084 14.0696 14.0696 14.3798 14.3798 14.7711 14.7711 15.4450 15.4450 k = 0.4355 0.4355-0.0000 ( 4592 PWs) bands (ev): 0.4668 0.4668 0.5775 0.5775 1.3896 1.3896 1.8806 1.8806 4.8971 4.8971 4.9513 4.9513 4.9891 4.9891 5.4909 5.4909 7.3387 7.3387 7.3573 7.3573 7.6201 7.6201 7.7702 7.7702 8.5948 8.5948 8.6781 8.6781 8.8288 8.8288 8.8875 8.8875 8.9055 8.9055 8.9225 8.9225 9.9336 9.9336 10.0605 10.0605 10.1624 10.1624 10.2475 10.2475 11.7825 11.7825 11.8147 11.8147 13.7418 13.7418 14.0379 14.0379 14.3350 14.3350 14.8057 14.8057 15.4409 15.4409 k = 0.4274 0.4274-0.0000 ( 4588 PWs) bands (ev): 0.4403 0.4403 0.5804 0.5804 1.3018 1.3018 1.9037 1.9037 4.9060 4.9060 4.9722 4.9722 5.0059 5.0059 5.6220 5.6220 7.3213 7.3213 7.3498 7.3498 7.5885 7.5885 7.7640 7.7640 8.5886 8.5886 8.6916 8.6916 8.8183 8.8183 8.8974 8.8974 8.9180 8.9180 8.9351 8.9351 9.9346 9.9346 10.0914 10.0914 10.1595 10.1595 10.2636 10.2636 11.7809 11.7809 11.8184 11.8184 13.6779 13.6779 14.0034 14.0034 14.2851 14.2851 14.8370 14.8370 15.4364 15.4364 k = 0.4194 0.4194-0.0000 ( 4586 PWs) bands (ev): 0.4105 0.4105 0.5835 0.5835 1.2105 1.2105 1.9295 1.9295 4.9169 4.9169 4.9955 4.9955 5.0246 5.0246 5.7618 5.7618 7.2978 7.2978 7.3416 7.3416 7.5591 7.5591 7.7551 7.7551 8.5826 8.5826 8.7057 8.7057 8.8075 8.8075 8.9084 8.9084 8.9317 8.9317 8.9491 8.9491 9.9366 9.9366 10.1251 10.1251 10.1568 10.1568 10.2810 10.2810 11.7791 11.7791 11.8214 11.8214 13.6180 13.6180 13.9665 13.9665 14.2307 14.2307 14.8648 14.8648 15.4312 15.4312 k = 0.4113 0.4113-0.0000 ( 4582 PWs) bands (ev): 0.3771 0.3771 0.5865 0.5865 1.1170 1.1170 1.9580 1.9580 4.9297 4.9297 5.0211 5.0211 5.0455 5.0455 5.9094 5.9094 7.2667 7.2667 7.3328 7.3328 7.5341 7.5341 7.7431 7.7431 8.5767 8.5767 8.7191 8.7191 8.7977 8.7977 8.9204 8.9204 8.9467 8.9467 8.9642 8.9642 9.9394 9.9394 10.1495 10.1495 10.1667 10.1667 10.2996 10.2996 11.7770 11.7770 11.8233 11.8233 13.5632 13.5632 13.9274 13.9274 14.1723 14.1723 14.8889 14.8889 15.4251 15.4251 k = 0.4032 0.4032-0.0000 ( 4580 PWs) bands (ev): 0.3400 0.3400 0.5895 0.5895 1.0224 1.0224 1.9891 1.9891 4.9447 4.9447 5.0491 5.0491 5.0684 5.0684 6.0639 6.0639 7.2273 7.2273 7.3235 7.3235 7.5145 7.5145 7.7275 7.7275 8.5711 8.5711 8.7285 8.7285 8.7922 8.7922 8.9336 8.9336 8.9629 8.9629 8.9805 8.9805 9.9433 9.9433 10.1476 10.1476 10.2056 10.2056 10.3197 10.3197 11.7745 11.7745 11.8236 11.8236 13.5148 13.5148 13.8864 13.8864 14.1106 14.1106 14.9092 14.9092 15.4177 15.4177 k = 0.3952 0.3952-0.0000 ( 4577 PWs) bands (ev): 0.2991 0.2991 0.5924 0.5924 0.9276 0.9276 2.0230 2.0230 4.9621 4.9621 5.0794 5.0794 5.0935 5.0935 6.2244 6.2244 7.1802 7.1802 7.3136 7.3136 7.5007 7.5007 7.7083 7.7083 8.5659 8.5659 8.7286 8.7286 8.7965 8.7965 8.9478 8.9478 8.9801 8.9801 8.9979 8.9979 9.9483 9.9483 10.1439 10.1439 10.2487 10.2487 10.3414 10.3414 11.7716 11.7716 11.8219 11.8219 13.4737 13.4737 13.8437 13.8437 14.0461 14.0461 14.9256 14.9256 15.4080 15.4080 k = 0.3871 0.3871-0.0000 ( 4575 PWs) bands (ev): 0.2540 0.2540 0.5950 0.5950 0.8336 0.8336 2.0596 2.0596 4.9820 4.9820 5.1119 5.1119 5.1207 5.1207 6.3902 6.3902 7.1266 7.1266 7.3032 7.3032 7.4918 7.4918 7.6853 7.6853 8.5609 8.5609 8.7190 8.7190 8.8106 8.8106 8.9629 8.9629 8.9985 8.9985 9.0163 9.0163 9.9544 9.9544 10.1399 10.1399 10.2935 10.2935 10.3658 10.3658 11.7681 11.7681 11.8181 11.8181 13.4406 13.4406 13.7995 13.7995 13.9793 13.9793 14.9380 14.9380 15.3949 15.3949 k = 0.3790 0.3790-0.0000 ( 4577 PWs) bands (ev): 0.2046 0.2046 0.5973 0.5973 0.7412 0.7412 2.0988 2.0988 5.0044 5.0044 5.1467 5.1467 5.1501 5.1501 6.5606 6.5606 7.0679 7.0679 7.2924 7.2924 7.4871 7.4871 7.6586 7.6586 8.5562 8.5562 8.7040 8.7040 8.8305 8.8305 8.9789 8.9789 9.0178 9.0178 9.0355 9.0355 9.9616 9.9616 10.1358 10.1358 10.3374 10.3374 10.3952 10.3952 11.7637 11.7637 11.8121 11.8121 13.4163 13.4163 13.7538 13.7538 13.9110 13.9110 14.9467 14.9467 15.3790 15.3790 k = 0.3710 0.3710-0.0000 ( 4579 PWs) bands (ev): 0.1505 0.1505 0.5990 0.5990 0.6513 0.6513 2.1407 2.1407 5.0295 5.0295 5.1815 5.1815 5.1838 5.1838 6.7348 6.7348 7.0055 7.0055 7.2813 7.2813 7.4858 7.4858 7.6285 7.6285 8.5517 8.5517 8.6863 8.6863 8.8534 8.8534 8.9958 8.9958 9.0380 9.0380 9.0554 9.0554 9.9699 9.9699 10.1317 10.1317 10.3760 10.3760 10.4336 10.4336 11.7579 11.7579 11.8043 11.8043 13.4010 13.4010 13.7068 13.7068 13.8416 13.8416 14.9518 14.9518 15.3631 15.3631 k = 0.3629 0.3629-0.0000 ( 4573 PWs) bands (ev): 0.0915 0.0915 0.5641 0.5641 0.6007 0.6007 2.1853 2.1853 5.0573 5.0573 5.2153 5.2153 5.2230 5.2230 6.9115 6.9115 6.9407 6.9407 7.2698 7.2698 7.4871 7.4871 7.5958 7.5958 8.5474 8.5474 8.6669 8.6669 8.8783 8.8783 9.0135 9.0135 9.0589 9.0589 9.0760 9.0760 9.9792 9.9792 10.1277 10.1277 10.4082 10.4082 10.4824 10.4824 11.7501 11.7501 11.7955 11.7955 13.3947 13.3947 13.6585 13.6585 13.7715 13.7715 14.9538 14.9538 15.3498 15.3498 k = 0.3548 0.3548-0.0000 ( 4581 PWs) bands (ev): 0.0277 0.0277 0.4811 0.4811 0.6013 0.6013 2.2326 2.2326 5.0878 5.0878 5.2512 5.2512 5.2643 5.2643 6.8733 6.8733 7.0897 7.0897 7.2580 7.2580 7.4906 7.4906 7.5626 7.5626 8.5430 8.5430 8.6463 8.6463 8.9047 8.9047 9.0319 9.0319 9.0806 9.0806 9.0971 9.0971 9.9894 9.9894 10.1239 10.1239 10.4371 10.4371 10.5380 10.5380 11.7391 11.7391 11.7867 11.7867 13.3968 13.3968 13.6089 13.6089 13.7014 13.7014 14.9537 14.9537 15.3402 15.3402 k = 0.3468 0.3468-0.0000 ( 4581 PWs) bands (ev): -0.0410 -0.0410 0.4019 0.4019 0.6013 0.6013 2.2824 2.2824 5.1210 5.1210 5.2893 5.2893 5.3078 5.3078 6.8054 6.8054 7.2459 7.2459 7.2601 7.2601 7.4952 7.4952 7.5376 7.5376 8.5385 8.5385 8.6248 8.6248 8.9325 8.9325 9.0511 9.0511 9.1030 9.1030 9.1187 9.1187 10.0002 10.0002 10.1206 10.1206 10.4654 10.4654 10.5978 10.5978 11.7247 11.7247 11.7790 11.7790 13.4064 13.4064 13.5582 13.5582 13.6318 13.6318 14.9526 14.9526 15.3339 15.3339 k = 0.3387 0.3387-0.0000 ( 4581 PWs) bands (ev): -0.1142 -0.1142 0.3266 0.3266 0.6004 0.6004 2.3350 2.3350 5.1567 5.1567 5.3297 5.3297 5.3532 5.3532 6.7371 6.7371 7.2337 7.2337 7.3752 7.3752 7.5032 7.5032 7.5657 7.5657 8.5338 8.5338 8.6026 8.6026 8.9613 8.9613 9.0709 9.0709 9.1258 9.1258 9.1406 9.1406 10.0115 10.0115 10.1180 10.1180 10.4942 10.4942 10.6606 10.6606 11.7072 11.7072 11.7724 11.7724 13.4208 13.4208 13.5069 13.5069 13.5641 13.5641 14.9514 14.9514 15.2823 15.2823 k = 0.3306 0.3306-0.0000 ( 4581 PWs) bands (ev): -0.1911 -0.1911 0.2550 0.2550 0.5987 0.5987 2.3901 2.3901 5.1950 5.1950 5.3723 5.3723 5.4007 5.4007 6.6688 6.6688 7.2214 7.2214 7.3743 7.3743 7.5148 7.5148 7.7078 7.7078 8.5286 8.5286 8.5799 8.5799 8.9913 8.9913 9.0912 9.0912 9.1491 9.1491 9.1628 9.1628 10.0226 10.0226 10.1166 10.1166 10.5241 10.5241 10.7257 10.7257 11.6876 11.6876 11.7668 11.7668 13.4265 13.4265 13.4603 13.4603 13.5056 13.5056 14.9511 14.9511 15.1889 15.1889 k = 0.3226 0.3226-0.0000 ( 4589 PWs) bands (ev): -0.2712 -0.2712 0.1865 0.1865 0.5961 0.5961 2.4479 2.4479 5.2357 5.2357 5.4172 5.4172 5.4502 5.4502 6.6011 6.6011 7.2088 7.2088 7.3341 7.3341 7.5265 7.5265 7.8904 7.8904 8.5227 8.5227 8.5570 8.5570 9.0221 9.0221 9.1120 9.1120 9.1725 9.1725 9.1854 9.1854 10.0330 10.0330 10.1171 10.1171 10.5555 10.5555 10.7927 10.7927 11.6670 11.6670 11.7616 11.7616 13.3862 13.3862 13.4126 13.4126 13.4980 13.4980 14.9505 14.9505 15.0784 15.0784 k = 0.3145 0.3145-0.0000 ( 4583 PWs) bands (ev): -0.3535 -0.3535 0.1209 0.1209 0.5924 0.5924 2.5083 2.5083 5.2786 5.2786 5.4643 5.4643 5.5015 5.5015 6.5343 6.5343 7.1958 7.1958 7.2847 7.2847 7.5393 7.5393 8.0824 8.0824 8.5155 8.5155 8.5349 8.5349 9.0537 9.0537 9.1333 9.1333 9.1957 9.1957 9.2088 9.2088 10.0418 10.0418 10.1203 10.1203 10.5886 10.5886 10.8611 10.8611 11.6464 11.6464 11.7566 11.7566 13.3292 13.3292 13.3496 13.3496 13.5247 13.5247 14.9184 14.9184 14.9859 14.9859 k = 0.3065 0.3065-0.0000 ( 4583 PWs) bands (ev): -0.4373 -0.4373 0.0574 0.0574 0.5876 0.5876 2.5713 2.5713 5.3235 5.3235 5.5136 5.5136 5.5548 5.5548 6.4688 6.4688 7.1814 7.1814 7.2323 7.2323 7.5534 7.5534 8.2781 8.2781 8.5027 8.5027 8.5180 8.5180 9.0860 9.0860 9.1547 9.1547 9.2183 9.2183 9.2332 9.2332 10.0480 10.0480 10.1271 10.1271 10.6237 10.6237 10.9306 10.9306 11.6266 11.6266 11.7517 11.7517 13.2678 13.2678 13.2848 13.2848 13.5583 13.5583 14.7886 14.7886 14.9813 14.9813 k = 0.2984 0.2984-0.0000 ( 4585 PWs) bands (ev): -0.5218 -0.5218 -0.0043 -0.0043 0.5817 0.5817 2.6369 2.6369 5.3703 5.3703 5.5652 5.5652 5.6098 5.6098 6.4048 6.4048 7.1571 7.1571 7.1873 7.1873 7.5688 7.5688 8.4667 8.4667 8.4831 8.4831 8.5165 8.5165 9.1189 9.1189 9.1764 9.1764 9.2400 9.2400 9.2589 9.2589 10.0515 10.0515 10.1376 10.1376 10.6610 10.6610 11.0010 11.0010 11.6085 11.6085 11.7466 11.7466 13.2030 13.2030 13.2202 13.2202 13.5941 13.5941 14.6360 14.6360 14.9940 14.9940 k = 0.2903 0.2903-0.0000 ( 4581 PWs) bands (ev): -0.6066 -0.6066 -0.0645 -0.0645 0.5745 0.5745 2.7051 2.7051 5.4186 5.4186 5.6190 5.6190 5.6666 5.6666 6.3427 6.3427 7.1069 7.1069 7.1665 7.1665 7.5852 7.5852 8.4578 8.4578 8.4959 8.4959 8.6807 8.6807 9.1521 9.1521 9.1984 9.1984 9.2606 9.2606 9.2862 9.2862 10.0528 10.0528 10.1513 10.1513 10.7008 10.7008 11.0717 11.0717 11.5929 11.5929 11.7415 11.7415 13.1340 13.1340 13.1565 13.1565 13.6303 13.6303 14.4758 14.4758 15.0123 15.0123 k = 0.2823 0.2823-0.0000 ( 4587 PWs) bands (ev): -0.6911 -0.6911 -0.1234 -0.1234 0.5662 0.5662 2.7758 2.7758 5.4682 5.4682 5.6749 5.6749 5.7251 5.7251 6.2826 6.2826 7.0482 7.0482 7.1530 7.1530 7.6025 7.6025 8.4340 8.4340 8.4883 8.4883 8.8796 8.8796 9.1853 9.1853 9.2208 9.2208 9.2804 9.2804 9.3154 9.3154 10.0528 10.0528 10.1673 10.1673 10.7431 10.7431 11.1424 11.1424 11.5804 11.5804 11.7362 11.7362 13.0594 13.0594 13.0945 13.0945 13.6658 13.6658 14.3126 14.3126 15.0348 15.0348 k = 0.2742 0.2742-0.0000 ( 4599 PWs) bands (ev): -0.7748 -0.7748 -0.1813 -0.1813 0.5566 0.5566 2.8490 2.8490 5.5187 5.5187 5.7328 5.7328 5.7853 5.7853 6.2248 6.2248 6.9878 6.9878 7.1409 7.1409 7.6207 7.6207 8.4101 8.4101 8.4794 8.4794 9.0766 9.0766 9.2176 9.2176 9.2448 9.2448 9.2992 9.2992 9.3478 9.3478 10.0522 10.0522 10.1851 10.1851 10.7880 10.7880 11.2127 11.2127 11.5718 11.5718 11.7306 11.7306 12.9780 12.9780 13.0343 13.0343 13.6998 13.6998 14.1502 14.1502 15.0601 15.0601 k = 0.2661 0.2661-0.0000 ( 4601 PWs) bands (ev): -0.8576 -0.8576 -0.2382 -0.2382 0.5459 0.5459 2.9248 2.9248 5.5696 5.5696 5.7927 5.7927 5.8470 5.8470 6.1696 6.1696 6.9268 6.9268 7.1294 7.1294 7.6397 7.6397 8.3864 8.3864 8.4698 8.4698 9.2366 9.2366 9.2625 9.2625 9.2806 9.2806 9.3173 9.3173 9.3932 9.3932 10.0514 10.0514 10.2040 10.2040 10.8359 10.8359 11.2820 11.2820 11.5678 11.5678 11.7247 11.7247 12.8886 12.8886 12.9760 12.9760 13.7319 13.7319 13.9916 13.9916 15.0865 15.0865 k = 0.2581 0.2581-0.0000 ( 4605 PWs) bands (ev): -0.9391 -0.9391 -0.2942 -0.2942 0.5339 0.5339 3.0031 3.0031 5.6205 5.6205 5.8543 5.8543 5.9101 5.9101 6.1174 6.1174 6.8661 6.8661 7.1184 7.1184 7.6592 7.6592 8.3630 8.3630 8.4596 8.4596 9.2657 9.2657 9.3009 9.3009 9.3345 9.3345 9.3756 9.3756 9.5161 9.5161 10.0509 10.0509 10.2238 10.2238 10.8867 10.8867 11.3497 11.3497 11.5694 11.5694 11.7185 11.7185 12.7899 12.7899 12.9196 12.9196 13.7615 13.7615 13.8401 13.8401 15.0857 15.0857 k = 0.2500 0.2500-0.0000 ( 4609 PWs) bands (ev): -1.0191 -1.0191 -0.3492 -0.3492 0.5207 0.5207 3.0839 3.0839 5.6709 5.6709 5.9165 5.9165 5.9743 5.9743 6.0695 6.0695 6.8064 6.8064 7.1078 7.1078 7.6791 7.6791 8.3400 8.3400 8.4489 8.4489 9.2856 9.2856 9.3333 9.3333 9.3521 9.3521 9.4189 9.4189 9.7025 9.7025 10.0509 10.0509 10.2443 10.2443 10.9405 10.9405 11.4146 11.4146 11.5776 11.5776 11.7120 11.7120 12.6808 12.6808 12.8654 12.8654 13.6958 13.6958 13.7911 13.7911 15.0407 15.0407 k = 0.2419 0.2419-0.0000 ( 4609 PWs) bands (ev): -1.0974 -1.0974 -0.4033 -0.4033 0.5064 0.5064 3.1671 3.1671 5.7199 5.7199 5.9706 5.9706 6.0265 6.0265 6.0476 6.0476 6.7484 6.7484 7.0976 7.0976 7.6993 7.6993 8.3175 8.3175 8.4375 8.4375 9.3027 9.3027 9.3589 9.3589 9.3762 9.3762 9.4543 9.4543 9.8950 9.8950 10.0517 10.0517 10.2653 10.2653 10.9973 10.9973 11.4755 11.4755 11.5936 11.5936 11.7055 11.7055 12.5607 12.5607 12.8138 12.8138 13.5639 13.5639 13.8173 13.8173 15.0003 15.0003 k = 0.2339 0.2339-0.0000 ( 4617 PWs) bands (ev): -1.1739 -1.1739 -0.4565 -0.4565 0.4910 0.4910 3.2527 3.2527 5.7666 5.7666 5.9610 5.9610 6.0638 6.0638 6.1102 6.1102 6.6931 6.6931 7.0878 7.0878 7.7197 7.7197 8.2956 8.2956 8.4257 8.4257 9.3177 9.3177 9.3745 9.3745 9.4091 9.4091 9.4887 9.4887 10.0524 10.0524 10.0862 10.0862 10.2868 10.2868 11.0572 11.0572 11.5300 11.5300 11.6187 11.6187 11.6996 11.6996 12.4302 12.4302 12.7653 12.7653 13.4432 13.4432 13.8427 13.8427 14.9654 14.9654 k = 0.2258 0.2258-0.0000 ( 4621 PWs) bands (ev): -1.2485 -1.2485 -0.5086 -0.5086 0.4746 0.4746 3.3408 3.3408 5.8099 5.8099 5.9228 5.9228 6.1296 6.1296 6.1787 6.1787 6.6416 6.6416 7.0785 7.0785 7.7399 7.7399 8.2745 8.2745 8.4133 8.4133 9.3307 9.3307 9.3868 9.3868 9.4438 9.4438 9.5230 9.5230 10.0561 10.0561 10.2683 10.2683 10.3105 10.3105 11.1202 11.1202 11.5740 11.5740 11.6526 11.6526 11.6981 11.6981 12.2914 12.2914 12.7208 12.7208 13.3337 13.3337 13.8676 13.8676 14.9368 14.9368 k = 0.2177 0.2177-0.0000 ( 4621 PWs) bands (ev): -1.3211 -1.3211 -0.5597 -0.5597 0.4572 0.4572 3.4312 3.4312 5.8477 5.8477 5.8849 5.8849 6.1998 6.1998 6.2486 6.2486 6.5954 6.5954 7.0696 7.0696 7.7599 7.7599 8.2543 8.2543 8.4007 8.4007 9.3416 9.3416 9.3971 9.3971 9.4787 9.4787 9.5576 9.5576 10.0605 10.0605 10.3289 10.3289 10.4487 10.4487 11.1862 11.1862 11.5986 11.5986 11.6849 11.6849 11.7180 11.7180 12.1482 12.1482 12.6815 12.6815 13.2345 13.2345 13.8928 13.8928 14.9150 14.9150 k = 0.2097 0.2097-0.0000 ( 4613 PWs) bands (ev): -1.3915 -1.3915 -0.6096 -0.6096 0.4390 0.4390 3.5240 3.5240 5.8456 5.8456 5.8821 5.8821 6.2721 6.2721 6.3198 6.3198 6.5564 6.5564 7.0612 7.0612 7.7795 7.7795 8.2352 8.2352 8.3877 8.3877 9.3502 9.3502 9.4055 9.4055 9.5134 9.5134 9.5922 9.5922 10.0663 10.0663 10.3514 10.3514 10.6149 10.6149 11.2552 11.2552 11.5918 11.5918 11.7099 11.7099 11.7715 11.7715 12.0082 12.0082 12.6491 12.6491 13.1442 13.1442 13.9191 13.9191 14.8998 14.8998 k = 0.2016 0.2016-0.0000 ( 4619 PWs) bands (ev): -1.4597 -1.4597 -0.6583 -0.6583 0.4201 0.4201 3.6190 3.6190 5.8119 5.8119 5.9044 5.9044 6.3460 6.3460 6.3921 6.3921 6.5265 6.5265 7.0531 7.0531 7.7984 7.7984 8.2173 8.2173 8.3745 8.3745 9.3564 9.3564 9.4120 9.4120 9.5476 9.5476 9.6269 9.6269 10.0736 10.0736 10.3736 10.3736 10.7690 10.7690 11.3270 11.3270 11.5485 11.5485 11.7326 11.7326 11.8420 11.8420 11.8895 11.8895 12.6255 12.6255 13.0614 13.0614 13.9473 13.9473 14.8808 14.8808 k = 0.1935 0.1935-0.0000 ( 4615 PWs) bands (ev): -1.5256 -1.5256 -0.7057 -0.7057 0.4006 0.4006 3.7164 3.7164 5.7800 5.7800 5.9166 5.9166 6.4210 6.4210 6.4651 6.4651 6.5081 6.5081 7.0456 7.0456 7.8164 7.8164 8.2008 8.2008 8.3611 8.3611 9.3597 9.3597 9.4169 9.4169 9.5811 9.5811 9.6613 9.6613 10.0824 10.0824 10.3957 10.3957 10.9094 10.9094 11.4015 11.4015 11.4599 11.4599 11.7413 11.7413 11.8033 11.8033 11.9390 11.9390 12.6126 12.6126 12.9850 12.9850 13.9783 13.9783 14.8322 14.8322 k = 0.1855 0.1855-0.0000 ( 4619 PWs) bands (ev): -1.5892 -1.5892 -0.7518 -0.7518 0.3805 0.3805 3.8159 3.8159 5.7504 5.7504 5.9170 5.9170 6.4964 6.4964 6.5010 6.5010 6.5405 6.5405 7.0385 7.0385 7.8332 7.8332 8.1860 8.1860 8.3475 8.3475 9.3595 9.3595 9.4206 9.4206 9.6139 9.6139 9.6953 9.6953 10.0927 10.0927 10.4178 10.4178 11.0357 11.0357 11.3292 11.3292 11.4788 11.4788 11.7242 11.7242 11.7742 11.7742 12.0461 12.0461 12.6120 12.6120 12.9139 12.9139 14.0134 14.0134 14.7763 14.7763 k = 0.1774 0.1774-0.0000 ( 4619 PWs) bands (ev): -1.6504 -1.6504 -0.7964 -0.7964 0.3600 0.3600 3.9175 3.9175 5.7232 5.7232 5.9059 5.9059 6.5057 6.5057 6.5741 6.5741 6.6153 6.6153 7.0319 7.0319 7.8485 7.8485 8.1732 8.1732 8.3339 8.3339 9.3553 9.3553 9.4234 9.4234 9.6457 9.6457 9.7288 9.7288 10.1042 10.1042 10.4398 10.4398 11.1429 11.1429 11.1820 11.1820 11.5577 11.5577 11.7008 11.7008 11.7592 11.7592 12.1666 12.1666 12.6239 12.6239 12.8476 12.8476 14.0536 14.0536 14.7182 14.7182 k = 0.1694 0.1694-0.0000 ( 4615 PWs) bands (ev): -1.7091 -1.7091 -0.8395 -0.8395 0.3393 0.3393 4.0213 4.0213 5.6982 5.6982 5.8850 5.8850 6.5210 6.5210 6.6514 6.6514 6.6911 6.6911 7.0258 7.0258 7.8620 7.8620 8.1626 8.1626 8.3204 8.3204 9.3464 9.3464 9.4258 9.4258 9.6763 9.6763 9.7616 9.7616 10.1166 10.1166 10.4616 10.4616 11.0077 11.0077 11.2576 11.2576 11.6343 11.6343 11.6847 11.6847 11.7383 11.7383 12.2955 12.2955 12.6473 12.6473 12.7860 12.7860 14.1001 14.1001 14.6590 14.6590 k = 0.1613 0.1613-0.0000 ( 4615 PWs) bands (ev): -1.7654 -1.7654 -0.8811 -0.8811 0.3185 0.3185 4.1270 4.1270 5.6754 5.6754 5.8568 5.8568 6.5437 6.5437 6.7290 6.7290 6.7676 6.7676 7.0201 7.0201 7.8733 7.8733 8.1545 8.1545 8.3070 8.3070 9.3327 9.3327 9.4279 9.4279 9.7057 9.7057 9.7935 9.7935 10.1293 10.1293 10.4831 10.4831 10.8398 10.8398 11.3559 11.3559 11.6529 11.6529 11.6988 11.6988 11.7409 11.7409 12.4276 12.4276 12.6766 12.6766 12.7328 12.7328 14.1541 14.1541 14.5992 14.5992 k = 0.1532 0.1532-0.0000 ( 4605 PWs) bands (ev): -1.8192 -1.8192 -0.9210 -0.9210 0.2976 0.2976 4.2346 4.2346 5.6548 5.6548 5.8236 5.8236 6.5716 6.5716 6.8067 6.8067 6.8445 6.8445 7.0150 7.0150 7.8822 7.8822 8.1492 8.1492 8.2938 8.2938 9.3137 9.3137 9.4300 9.4300 9.7336 9.7336 9.8246 9.8246 10.1410 10.1410 10.5039 10.5039 10.6727 10.6727 11.4498 11.4498 11.6277 11.6277 11.6765 11.6765 11.8203 11.8203 12.5569 12.5569 12.6630 12.6630 12.7352 12.7352 14.2162 14.2162 14.5394 14.5394 k = 0.1452 0.1452-0.0000 ( 4607 PWs) bands (ev): -1.8703 -1.8703 -0.9593 -0.9593 0.2769 0.2769 4.3441 4.3441 5.6361 5.6361 5.7873 5.7873 6.6027 6.6027 6.8839 6.8839 6.9215 6.9215 7.0107 7.0107 7.8885 7.8885 8.1469 8.1469 8.2808 8.2808 9.2893 9.2893 9.4318 9.4318 9.7599 9.7599 9.8550 9.8550 10.1484 10.1484 10.5029 10.5029 10.5326 10.5326 11.5319 11.5319 11.5942 11.5942 11.6612 11.6612 11.9084 11.9084 12.6097 12.6097 12.6855 12.6855 12.7819 12.7819 14.2863 14.2863 14.4801 14.4801 k = 0.1371 0.1371-0.0000 ( 4611 PWs) bands (ev): -1.9189 -1.9189 -0.9958 -0.9958 0.2565 0.2565 4.4552 4.4552 5.6193 5.6193 5.7495 5.7495 6.6354 6.6354 6.9605 6.9605 6.9921 6.9921 7.0136 7.0136 7.8922 7.8922 8.1475 8.1475 8.2683 8.2683 9.2592 9.2592 9.4335 9.4335 9.7844 9.7844 9.8846 9.8846 10.1400 10.1400 10.3653 10.3653 10.5472 10.5472 11.5212 11.5212 11.6146 11.6146 11.6801 11.6801 11.9993 11.9993 12.5633 12.5633 12.7960 12.7960 12.8379 12.8379 14.3616 14.3616 14.4224 14.4224 k = 0.1290 0.1290-0.0000 ( 4607 PWs) bands (ev): -1.9649 -1.9649 -1.0305 -1.0305 0.2364 0.2364 4.5679 4.5679 5.6043 5.6043 5.7114 5.7114 6.6686 6.6686 6.9992 6.9992 7.0363 7.0363 7.0801 7.0801 7.8935 7.8935 8.1508 8.1508 8.2562 8.2562 9.2230 9.2230 9.4349 9.4349 9.8070 9.8070 9.9137 9.9137 10.0771 10.0771 10.2806 10.2806 10.5668 10.5668 11.4649 11.4649 11.6146 11.6146 11.7634 11.7634 12.0922 12.0922 12.5182 12.5182 12.8817 12.8817 12.9119 12.9119 14.3621 14.3621 14.4427 14.4427 k = 0.1210 0.1210-0.0000 ( 4605 PWs) bands (ev): -2.0082 -2.0082 -1.0633 -1.0633 0.2169 0.2169 4.6819 4.6819 5.5908 5.5908 5.6736 5.6736 6.7017 6.7017 6.9963 6.9963 7.1104 7.1104 7.1574 7.1574 7.8928 7.8928 8.1564 8.1564 8.2448 8.2448 9.1798 9.1798 9.4361 9.4361 9.8275 9.8275 9.9415 9.9415 9.9526 9.9526 10.2632 10.2632 10.5861 10.5861 11.4025 11.4025 11.6046 11.6046 11.8633 11.8633 12.1868 12.1868 12.4761 12.4761 12.9447 12.9447 12.9979 12.9979 14.3068 14.3068 14.5139 14.5139 k = 0.1129 0.1129-0.0000 ( 4605 PWs) bands (ev): -2.0488 -2.0488 -1.0943 -1.0943 0.1980 0.1980 4.7970 4.7970 5.5789 5.5789 5.6368 5.6368 6.7338 6.7338 6.9931 6.9931 7.1827 7.1827 7.2349 7.2349 7.8903 7.8903 8.1636 8.1636 8.2343 8.2343 9.1285 9.1285 9.4370 9.4370 9.8101 9.8101 9.8461 9.8461 9.9709 9.9709 10.2688 10.2688 10.6047 10.6047 11.3373 11.3373 11.5933 11.5933 11.9690 11.9690 12.2826 12.2826 12.4376 12.4376 13.0047 13.0047 13.0747 13.0747 14.2529 14.2529 14.5693 14.5693 k = 0.1048 0.1048-0.0000 ( 4621 PWs) bands (ev): -2.0867 -2.0867 -1.1233 -1.1233 0.1799 0.1799 4.9130 4.9130 5.5684 5.5684 5.6016 5.6016 6.7648 6.7648 6.9901 6.9901 7.2527 7.2527 7.3121 7.3121 7.8866 7.8866 8.1714 8.1714 8.2253 8.2253 9.0677 9.0677 9.4375 9.4375 9.6716 9.6716 9.8626 9.8626 9.9993 9.9993 10.2804 10.2804 10.6225 10.6225 11.2705 11.2705 11.5818 11.5818 12.0790 12.0790 12.3747 12.3747 12.4074 12.4074 13.0633 13.0633 13.1403 13.1403 14.2012 14.2012 14.6004 14.6004 k = 0.0968 0.0968-0.0000 ( 4625 PWs) bands (ev): -2.1219 -2.1219 -1.1503 -1.1503 0.1626 0.1626 5.0295 5.0295 5.5587 5.5587 5.5685 5.5685 6.7941 6.7941 6.9874 6.9874 7.3199 7.3199 7.3884 7.3884 7.8821 7.8821 8.1783 8.1783 8.2192 8.2192 8.9958 8.9958 9.4371 9.4371 9.5431 9.5431 9.8772 9.8772 10.0278 10.0278 10.2939 10.2939 10.6395 10.6395 11.2031 11.2031 11.5705 11.5705 12.1919 12.1919 12.3683 12.3683 12.4811 12.4811 13.1198 13.1198 13.1958 13.1958 14.1519 14.1519 14.6062 14.6062 k = 0.0887 0.0887-0.0000 ( 4615 PWs) bands (ev): -2.1544 -2.1544 -1.1753 -1.1753 0.1463 0.1463 5.1461 5.1461 5.5358 5.5358 5.5519 5.5519 6.8217 6.8217 6.9851 6.9851 7.3837 7.3837 7.4635 7.4635 7.8772 7.8772 8.1812 8.1812 8.2188 8.2188 8.9120 8.9120 9.4150 9.4150 9.4486 9.4486 9.8900 9.8900 10.0566 10.0566 10.3076 10.3076 10.6555 10.6555 11.1355 11.1355 11.5595 11.5595 12.2959 12.2959 12.3539 12.3539 12.5793 12.5793 13.1732 13.1732 13.2427 13.2427 14.1056 14.1056 14.5913 14.5913 k = 0.0806 0.0806-0.0000 ( 4623 PWs) bands (ev): -2.1841 -2.1841 -1.1982 -1.1982 0.1311 0.1311 5.2623 5.2623 5.5068 5.5068 5.5448 5.5448 6.8472 6.8472 6.9829 6.9829 7.4437 7.4437 7.5366 7.5366 7.8719 7.8719 8.1786 8.1786 8.2250 8.2250 8.8170 8.8170 9.3183 9.3183 9.4421 9.4421 9.9011 9.9011 10.0858 10.0858 10.3211 10.3211 10.6704 10.6704 11.0685 11.0685 11.5489 11.5489 12.3028 12.3028 12.4425 12.4425 12.6783 12.6783 13.2223 13.2223 13.2827 13.2827 14.0623 14.0623 14.5606 14.5606 k = 0.0726 0.0726-0.0000 ( 4623 PWs) bands (ev): -2.2110 -2.2110 -1.2191 -1.2191 0.1171 0.1171 5.3773 5.3773 5.4799 5.4799 5.5388 5.5388 6.8706 6.8706 6.9811 6.9811 7.4993 7.4993 7.6068 7.6068 7.8667 7.8667 8.1732 8.1732 8.2352 8.2352 8.7141 8.7141 9.2277 9.2277 9.4417 9.4417 9.9106 9.9106 10.1155 10.1155 10.3338 10.3338 10.6840 10.6840 11.0023 11.0023 11.5389 11.5389 12.2819 12.2819 12.5645 12.5645 12.7770 12.7770 13.2657 13.2657 13.3176 13.3176 14.0224 14.0224 14.5177 14.5177 k = 0.0645 0.0645-0.0000 ( 4619 PWs) bands (ev): -2.2351 -2.2351 -1.2378 -1.2378 0.1043 0.1043 5.4556 5.4556 5.4902 5.4902 5.5338 5.5338 6.8918 6.8918 6.9795 6.9795 7.5502 7.5502 7.6726 7.6726 7.8616 7.8616 8.1670 8.1670 8.2470 8.2470 8.6085 8.6085 9.1466 9.1466 9.4417 9.4417 9.9188 9.9188 10.1461 10.1461 10.3456 10.3456 10.6963 10.6963 10.9377 10.9377 11.5297 11.5297 12.2620 12.2620 12.6908 12.6908 12.8749 12.8749 13.3024 13.3024 13.3487 13.3487 13.9861 13.9861 14.4648 14.4648 k = 0.0565 0.0565-0.0000 ( 4619 PWs) bands (ev): -2.2564 -2.2564 -1.2544 -1.2544 0.0929 0.0929 5.4339 5.4339 5.5296 5.5296 5.5998 5.5998 6.9106 6.9106 6.9782 6.9782 7.5959 7.5959 7.7314 7.7314 7.8567 7.8567 8.1608 8.1608 8.2591 8.2591 8.5067 8.5067 9.0726 9.0726 9.4418 9.4418 9.9256 9.9256 10.1774 10.1774 10.3563 10.3563 10.7069 10.7069 10.8750 10.8750 11.5213 11.5213 12.2443 12.2443 12.8191 12.8191 12.9709 12.9709 13.3318 13.3318 13.3772 13.3772 13.9535 13.9535 14.4030 14.4030 k = 0.0484 0.0484-0.0000 ( 4615 PWs) bands (ev): -2.2749 -2.2749 -1.2688 -1.2688 0.0828 0.0828 5.4149 5.4149 5.5261 5.5261 5.7045 5.7045 6.9270 6.9270 6.9771 6.9771 7.6361 7.6361 7.7792 7.7792 7.8520 7.8520 8.1551 8.1551 8.2708 8.2708 8.4165 8.4165 9.0041 9.0041 9.4419 9.4419 9.9313 9.9313 10.2097 10.2097 10.3659 10.3659 10.7150 10.7150 10.8156 10.8156 11.5138 11.5138 12.2291 12.2291 12.9482 12.9482 13.0639 13.0639 13.3546 13.3546 13.4028 13.4028 13.9249 13.9249 14.3328 14.3328 k = 0.0403 0.0403-0.0000 ( 4619 PWs) bands (ev): -2.2905 -2.2905 -1.2810 -1.2810 0.0742 0.0742 5.3988 5.3988 5.5232 5.5232 5.8022 5.8022 6.9409 6.9409 6.9763 6.9763 7.6705 7.6705 7.8102 7.8102 7.8478 7.8478 8.1499 8.1499 8.2808 8.2808 8.3478 8.3478 8.9402 8.9402 9.4420 9.4420 9.9359 9.9359 10.2429 10.2429 10.3743 10.3743 10.7155 10.7155 10.7648 10.7648 11.5073 11.5073 12.2165 12.2165 13.0766 13.0766 13.1525 13.1525 13.3722 13.3722 13.4250 13.4250 13.9004 13.9004 14.2548 14.2548 k = 0.0323 0.0323-0.0000 ( 4623 PWs) bands (ev): -2.3034 -2.3034 -1.2910 -1.2910 0.0671 0.0671 5.3855 5.3855 5.5210 5.5210 5.8901 5.8901 6.9521 6.9521 6.9758 6.9758 7.6988 7.6988 7.8189 7.8189 7.8439 7.8439 8.1454 8.1454 8.2842 8.2842 8.3127 8.3127 8.8811 8.8811 9.4421 9.4421 9.9396 9.9396 10.2766 10.2766 10.3817 10.3817 10.6862 10.6862 10.7453 10.7453 11.5019 11.5019 12.2062 12.2062 13.2009 13.2009 13.2359 13.2359 13.3863 13.3863 13.4433 13.4433 13.8801 13.8801 14.1696 14.1696 k = 0.0242 0.0242-0.0000 ( 4629 PWs) bands (ev): -2.3134 -2.3134 -1.2989 -1.2989 0.0615 0.0615 5.3751 5.3751 5.5193 5.5193 5.9649 5.9649 6.9606 6.9606 6.9758 6.9758 7.7207 7.7207 7.8069 7.8069 7.8404 7.8404 8.1418 8.1418 8.2812 8.2812 8.3114 8.3114 8.8284 8.8284 9.4421 9.4421 9.9423 9.9423 10.3099 10.3099 10.3885 10.3885 10.6390 10.6390 10.7461 10.7461 11.4977 11.4977 12.1983 12.1983 13.2964 13.2964 13.3297 13.3297 13.4009 13.4009 13.4587 13.4587 13.8638 13.8638 14.0787 14.0787 k = 0.0161 0.0161-0.0000 ( 4633 PWs) bands (ev): -2.3205 -2.3205 -1.3044 -1.3044 0.0575 0.0575 5.3677 5.3677 5.5181 5.5181 6.0225 6.0225 6.9660 6.9660 6.9764 6.9764 7.7350 7.7350 7.7861 7.7861 7.8375 7.8375 8.1393 8.1393 8.2869 8.2869 8.3182 8.3182 8.7849 8.7849 9.4422 9.4422 9.9443 9.9443 10.3400 10.3400 10.3959 10.3959 10.5941 10.5941 10.7487 10.7487 11.4946 11.4946 12.1928 12.1928 13.3539 13.3539 13.3899 13.3899 13.4518 13.4518 13.4819 13.4819 13.8509 13.8509 13.9854 13.9854 k = 0.0081 0.0081-0.0000 ( 4653 PWs) bands (ev): -2.3248 -2.3248 -1.3078 -1.3078 0.0551 0.0551 5.3632 5.3632 5.5174 5.5174 6.0592 6.0592 6.9685 6.9685 6.9775 6.9775 7.7394 7.7394 7.7719 7.7719 7.8354 7.8354 8.1378 8.1378 8.2951 8.2951 8.3253 8.3253 8.7553 8.7553 9.4422 9.4422 9.9454 9.9454 10.3607 10.3607 10.4058 10.4058 10.5586 10.5586 10.7505 10.7505 11.4928 11.4928 12.1894 12.1894 13.3888 13.3888 13.3987 13.3987 13.4724 13.4724 13.5685 13.5685 13.8368 13.8368 13.9027 13.9027 k = 0.0000 0.0000 0.0000 ( 4653 PWs) bands (ev): -2.3262 -2.3262 -1.3089 -1.3089 0.0543 0.0543 5.3617 5.3617 5.5172 5.5172 6.0718 6.0718 6.9692 6.9692 6.9781 6.9781 7.7382 7.7382 7.7689 7.7689 7.8347 7.8347 8.1374 8.1374 8.2983 8.2983 8.3286 8.3286 8.7446 8.7446 9.4422 9.4422 9.9457 9.9457 10.3673 10.3673 10.4124 10.4124 10.5437 10.5437 10.7511 10.7511 11.4922 11.4922 12.1883 12.1883 13.4000 13.4000 13.4013 13.4013 13.4763 13.4763 13.6202 13.6202 13.8174 13.8174 13.8715 13.8715 k = 0.0000 0.0000 0.0000 ( 4653 PWs) bands (ev): -2.3262 -2.3262 -1.3089 -1.3089 0.0543 0.0543 5.3617 5.3617 5.5172 5.5172 6.0718 6.0718 6.9692 6.9692 6.9781 6.9781 7.7382 7.7382 7.7689 7.7689 7.8347 7.8347 8.1374 8.1374 8.2983 8.2983 8.3286 8.3286 8.7446 8.7446 9.4422 9.4422 9.9457 9.9457 10.3673 10.3673 10.4124 10.4124 10.5437 10.5437 10.7511 10.7511 11.4922 11.4922 12.1883 12.1883 13.4000 13.4000 13.4013 13.4013 13.4763 13.4763 13.6202 13.6202 13.8174 13.8174 13.8715 13.8715 k = 0.0000 0.0000 0.0113 ( 4645 PWs) bands (ev): -2.3254 -2.3254 -1.3109 -1.3109 0.0559 0.0559 5.3424 5.3424 5.5380 5.5380 6.0720 6.0720 6.9689 6.9689 6.9778 6.9778 7.7390 7.7390 7.7696 7.7696 7.8319 7.8319 8.1374 8.1374 8.2980 8.2980 8.3283 8.3283 8.7379 8.7379 9.4518 9.4518 9.9467 9.9467 10.3666 10.3666 10.4116 10.4116 10.5435 10.5435 10.7512 10.7512 11.4922 11.4922 12.1827 12.1827 13.4025 13.4025 13.4031 13.4031 13.4764 13.4764 13.6208 13.6208 13.8179 13.8179 13.8722 13.8722 k = 0.0000 0.0000 0.0225 ( 4641 PWs) bands (ev): -2.3231 -2.3231 -1.3169 -1.3169 0.0606 0.0606 5.3008 5.3008 5.5843 5.5843 6.0727 6.0727 6.9681 6.9681 6.9771 6.9771 7.7412 7.7412 7.7717 7.7717 7.8236 7.8236 8.1374 8.1374 8.2971 8.2971 8.3272 8.3272 8.7188 8.7188 9.4793 9.4793 9.9497 9.9497 10.3643 10.3643 10.4091 10.4091 10.5427 10.5427 10.7512 10.7512 11.4922 11.4922 12.1659 12.1659 13.4082 13.4082 13.4102 13.4102 13.4770 13.4770 13.6225 13.6225 13.8193 13.8193 13.8741 13.8741 k = 0.0000 0.0000 0.0338 ( 4641 PWs) bands (ev): -2.3194 -2.3194 -1.3267 -1.3267 0.0684 0.0684 5.2529 5.2529 5.6399 5.6399 6.0739 6.0739 6.9669 6.9669 6.9761 6.9761 7.7450 7.7450 7.7751 7.7751 7.8099 7.8099 8.1373 8.1373 8.2955 8.2955 8.3255 8.3255 8.6901 8.6901 9.5220 9.5220 9.9545 9.9545 10.3605 10.3605 10.4049 10.4049 10.5414 10.5414 10.7512 10.7512 11.4922 11.4922 12.1384 12.1384 13.4155 13.4155 13.4227 13.4227 13.4791 13.4791 13.6253 13.6253 13.8218 13.8218 13.8775 13.8775 k = 0.0000 0.0000 0.0450 ( 4629 PWs) bands (ev): -2.3142 -2.3142 -1.3399 -1.3399 0.0788 0.0788 5.2040 5.2040 5.6995 5.6995 6.0755 6.0755 6.9652 6.9652 6.9746 6.9746 7.7501 7.7501 7.7795 7.7795 7.7913 7.7913 8.1374 8.1374 8.2933 8.2933 8.3231 8.3231 8.6549 8.6549 9.5768 9.5768 9.9609 9.9609 10.3555 10.3555 10.3994 10.3994 10.5399 10.5399 10.7513 10.7513 11.4922 11.4922 12.1008 12.1008 13.4230 13.4230 13.4398 13.4398 13.4846 13.4846 13.6289 13.6289 13.8255 13.8255 13.8824 13.8824 k = 0.0000 0.0000 0.0563 ( 4629 PWs) bands (ev): -2.3076 -2.3076 -1.3561 -1.3561 0.0914 0.0914 5.1561 5.1561 5.7611 5.7611 6.0774 6.0774 6.9632 6.9632 6.9728 6.9728 7.7564 7.7564 7.7667 7.7667 7.7861 7.7861 8.1373 8.1373 8.2906 8.2906 8.3201 8.3201 8.6159 8.6159 9.6408 9.6408 9.9688 9.9688 10.3493 10.3493 10.3925 10.3925 10.5381 10.5381 10.7513 10.7513 11.4922 11.4922 12.0538 12.0538 13.4281 13.4281 13.4608 13.4608 13.4954 13.4954 13.6331 13.6331 13.8304 13.8304 13.8890 13.8890 k = 0.0000 0.0000 0.0675 ( 4622 PWs) bands (ev): -2.2998 -2.2998 -1.3748 -1.3748 0.1058 0.1058 5.1100 5.1100 5.8239 5.8239 6.0797 6.0797 6.9609 6.9609 6.9707 6.9707 7.7386 7.7386 7.7638 7.7638 7.7928 7.7928 8.1373 8.1373 8.2874 8.2874 8.3165 8.3165 8.5754 8.5754 9.7118 9.7118 9.9777 9.9777 10.3423 10.3423 10.3847 10.3847 10.5363 10.5363 10.7515 10.7515 11.4922 11.4922 11.9985 11.9985 13.4299 13.4299 13.4852 13.4852 13.5121 13.5121 13.6378 13.6378 13.8367 13.8367 13.8975 13.8975 k = 0.0000 0.0000 0.0788 ( 4610 PWs) bands (ev): -2.2909 -2.2909 -1.3956 -1.3956 0.1214 0.1214 5.0663 5.0663 5.8870 5.8870 6.0822 6.0822 6.9583 6.9583 6.9685 6.9685 7.7063 7.7063 7.7720 7.7720 7.8005 7.8005 8.1373 8.1373 8.2837 8.2837 8.3124 8.3124 8.5349 8.5349 9.7881 9.7881 9.9874 9.9874 10.3348 10.3348 10.3761 10.3761 10.5347 10.5347 10.7518 10.7518 11.4923 11.4923 11.9358 11.9358 13.4291 13.4291 13.5120 13.5120 13.5333 13.5333 13.6428 13.6428 13.8449 13.8449 13.9084 13.9084 k = 0.0000 0.0000 0.0900 ( 4610 PWs) bands (ev): -2.2810 -2.2810 -1.4177 -1.4177 0.1378 0.1378 5.0252 5.0252 5.9499 5.9499 6.0849 6.0849 6.9556 6.9556 6.9661 6.9661 7.6707 7.6707 7.7810 7.7810 7.8087 7.8087 8.1373 8.1373 8.2796 8.2796 8.3080 8.3080 8.4956 8.4956 9.8684 9.8684 9.9973 9.9973 10.3269 10.3269 10.3669 10.3669 10.5333 10.5333 10.7522 10.7522 11.4923 11.4923 11.8667 11.8667 13.4268 13.4268 13.5402 13.5402 13.5569 13.5569 13.6479 13.6479 13.8551 13.8551 13.9219 13.9219 k = 0.0000 0.0000 0.1013 ( 4598 PWs) bands (ev): -2.2704 -2.2704 -1.4406 -1.4406 0.1543 0.1543 4.9872 4.9872 6.0121 6.0121 6.0878 6.0878 6.9530 6.9530 6.9638 6.9638 7.6323 7.6323 7.7903 7.7903 7.8174 7.8174 8.1372 8.1372 8.2752 8.2752 8.3032 8.3032 8.4583 8.4583 9.9517 9.9517 10.0073 10.0073 10.3189 10.3189 10.3576 10.3576 10.5324 10.5324 10.7529 10.7529 11.4924 11.4924 11.7924 11.7924 13.4237 13.4237 13.5685 13.5685 13.5812 13.5812 13.6530 13.6530 13.8679 13.8679 13.9383 13.9383 k = 0.0000 0.0000 0.1125 ( 4574 PWs) bands (ev): -2.2594 -2.2594 -1.4637 -1.4637 0.1706 0.1706 4.9525 4.9525 6.0729 6.0729 6.0906 6.0906 6.9503 6.9503 6.9614 6.9614 7.5921 7.5921 7.7998 7.7998 7.8263 7.8263 8.1372 8.1372 8.2706 8.2706 8.2982 8.2982 8.4236 8.4236 10.0169 10.0169 10.0368 10.0368 10.3113 10.3113 10.3483 10.3483 10.5320 10.5320 10.7541 10.7541 11.4925 11.4925 11.7137 11.7137 13.4204 13.4204 13.5958 13.5958 13.6047 13.6047 13.6580 13.6580 13.8835 13.8835 13.9577 13.9577 k = 0.0000 0.0000 0.1238 ( 4574 PWs) bands (ev): -2.2482 -2.2482 -1.4863 -1.4863 0.1862 0.1862 4.9213 4.9213 6.0934 6.0934 6.1316 6.1316 6.9477 6.9477 6.9591 6.9591 7.5510 7.5510 7.8092 7.8092 7.8350 7.8350 8.1371 8.1371 8.2660 8.2660 8.2933 8.2933 8.3921 8.3921 10.0257 10.0257 10.1227 10.1227 10.3042 10.3042 10.3395 10.3395 10.5321 10.5321 10.7557 10.7557 11.4925 11.4925 11.6320 11.6320 13.4170 13.4170 13.6206 13.6206 13.6262 13.6262 13.6628 13.6628 13.9019 13.9019 13.9801 13.9801 k = 0.0000 0.0000 0.1350 ( 4574 PWs) bands (ev): -2.2372 -2.2372 -1.5078 -1.5078 0.2006 0.2006 4.8938 4.8938 6.0960 6.0960 6.1871 6.1871 6.9454 6.9454 6.9570 6.9570 7.5101 7.5101 7.8181 7.8181 7.8434 7.8434 8.1370 8.1370 8.2615 8.2615 8.2884 8.2884 8.3641 8.3641 10.0335 10.0335 10.2081 10.2081 10.2977 10.2977 10.3315 10.3315 10.5326 10.5326 10.7581 10.7581 11.4925 11.4925 11.5482 11.5482 13.4138 13.4138 13.6421 13.6421 13.6446 13.6446 13.6676 13.6676 13.9228 13.9228 14.0047 14.0047 k = 0.0000 0.0000 0.1463 ( 4586 PWs) bands (ev): -2.2267 -2.2267 -1.5275 -1.5275 0.2134 0.2134 4.8702 4.8702 6.0984 6.0984 6.2383 6.2383 6.9432 6.9432 6.9551 6.9551 7.4709 7.4709 7.8263 7.8263 7.8511 7.8511 8.1368 8.1368 8.2572 8.2572 8.2838 8.2838 8.3400 8.3400 10.0402 10.0402 10.2894 10.2894 10.2920 10.2920 10.3264 10.3264 10.5336 10.5336 10.7618 10.7618 11.4640 11.4640 11.4926 11.4926 13.4109 13.4109 13.6587 13.6587 13.6599 13.6599 13.6731 13.6731 13.9448 13.9448 14.0304 14.0304 k = 0.0000 0.0000 0.1575 ( 4578 PWs) bands (ev): -2.2173 -2.2173 -1.5448 -1.5448 0.2243 0.2243 4.8506 4.8506 6.1004 6.1004 6.2838 6.2838 6.9415 6.9415 6.9535 6.9535 7.4349 7.4349 7.8336 7.8336 7.8579 7.8579 8.1367 8.1367 8.2534 8.2534 8.2798 8.2798 8.3199 8.3199 10.0457 10.0457 10.2873 10.2873 10.3145 10.3145 10.3741 10.3741 10.5347 10.5347 10.7675 10.7675 11.3814 11.3814 11.4926 11.4926 13.4085 13.4085 13.6672 13.6672 13.6738 13.6738 13.6805 13.6805 13.9661 13.9661 14.0557 14.0557 k = 0.0000 0.0000 0.1688 ( 4586 PWs) bands (ev): -2.2093 -2.2093 -1.5591 -1.5591 0.2331 0.2331 4.8353 4.8353 6.1021 6.1021 6.3220 6.3220 6.9400 6.9400 6.9522 6.9522 7.4039 7.4039 7.8395 7.8395 7.8635 7.8635 8.1366 8.1366 8.2503 8.2503 8.2764 8.2764 8.3041 8.3041 10.0499 10.0499 10.2836 10.2836 10.3104 10.3104 10.4440 10.4440 10.5359 10.5359 10.7763 10.7763 11.3032 11.3032 11.4926 11.4926 13.4065 13.4065 13.6716 13.6716 13.6840 13.6840 13.6882 13.6882 13.9835 13.9835 14.0786 14.0786 k = 0.0000 0.0000 0.1801 ( 4586 PWs) bands (ev): -2.2033 -2.2033 -1.5697 -1.5697 0.2396 0.2396 4.8242 4.8242 6.1034 6.1034 6.3511 6.3511 6.9389 6.9389 6.9513 6.9513 7.3799 7.3799 7.8440 7.8440 7.8677 7.8677 8.1366 8.1366 8.2479 8.2479 8.2739 8.2739 8.2927 8.2927 10.0528 10.0528 10.2810 10.2810 10.3068 10.3068 10.5009 10.5009 10.5369 10.5369 10.7886 10.7886 11.2346 11.2346 11.4926 11.4926 13.4050 13.4050 13.6740 13.6740 13.6910 13.6910 13.6942 13.6942 13.9940 13.9940 14.0650 14.0650 k = 0.0000 0.0000 0.1913 ( 4594 PWs) bands (ev): -2.1995 -2.1995 -1.5763 -1.5763 0.2435 0.2435 4.8176 4.8176 6.1042 6.1042 6.3694 6.3694 6.9382 6.9382 6.9507 6.9507 7.3646 7.3646 7.8467 7.8467 7.8703 7.8703 8.1365 8.1365 8.2463 8.2463 8.2723 8.2723 8.2858 8.2858 10.0546 10.0546 10.2794 10.2794 10.3046 10.3046 10.5376 10.5376 10.5379 10.5379 10.8020 10.8020 11.1847 11.1847 11.4926 11.4926 13.4042 13.4042 13.6753 13.6753 13.6951 13.6951 13.6979 13.6979 13.9974 13.9974 14.0606 14.0606 k = 0.0000 0.0000 0.2026 ( 4598 PWs) bands (ev): -2.1982 -2.1982 -1.5786 -1.5786 0.2448 0.2448 4.8154 4.8154 6.1044 6.1044 6.3756 6.3756 6.9380 6.9380 6.9505 6.9505 7.3593 7.3593 7.8477 7.8477 7.8711 7.8711 8.1365 8.1365 8.2458 8.2458 8.2718 8.2718 8.2834 8.2834 10.0551 10.0551 10.2788 10.2788 10.3038 10.3038 10.5378 10.5378 10.5507 10.5507 10.8085 10.8085 11.1656 11.1656 11.4927 11.4927 13.4039 13.4039 13.6758 13.6758 13.6964 13.6964 13.6991 13.6991 13.9976 13.9976 14.0601 14.0601 k = 0.0000 0.0000 0.2026 ( 4598 PWs) bands (ev): -2.1982 -2.1982 -1.5786 -1.5786 0.2448 0.2448 4.8154 4.8154 6.1044 6.1044 6.3756 6.3756 6.9380 6.9380 6.9505 6.9505 7.3593 7.3593 7.8477 7.8477 7.8711 7.8711 8.1365 8.1365 8.2458 8.2458 8.2718 8.2718 8.2834 8.2834 10.0551 10.0551 10.2788 10.2788 10.3038 10.3038 10.5378 10.5378 10.5507 10.5507 10.8085 10.8085 11.1656 11.1656 11.4927 11.4927 13.4039 13.4039 13.6758 13.6758 13.6964 13.6964 13.6991 13.6991 13.9976 13.9976 14.0601 14.0601 k = 0.0000 0.0114 0.2026 ( 4604 PWs) bands (ev): -2.1968 -2.1968 -1.5773 -1.5773 0.2455 0.2455 4.8168 4.8168 6.0911 6.0911 6.3759 6.3759 6.9369 6.9369 6.9495 6.9495 7.3614 7.3614 7.8521 7.8521 7.8772 7.8772 8.1365 8.1365 8.1998 8.1998 8.2588 8.2588 8.3407 8.3407 10.0559 10.0559 10.2774 10.2774 10.3018 10.3018 10.5399 10.5399 10.5510 10.5510 10.8082 10.8082 11.1643 11.1643 11.4931 11.4931 13.3962 13.3962 13.5895 13.5895 13.6939 13.6939 13.7824 13.7824 14.0000 14.0000 14.0616 14.0616 k = 0.0000 0.0227 0.2026 ( 4596 PWs) bands (ev): -2.1927 -2.1927 -1.5736 -1.5736 0.2474 0.2474 4.8211 4.8211 6.0521 6.0521 6.3769 6.3769 6.9323 6.9323 6.9479 6.9479 7.3677 7.3677 7.8586 7.8586 7.9013 7.9013 8.1213 8.1213 8.1485 8.1485 8.2545 8.2545 8.4062 8.4062 10.0584 10.0584 10.2728 10.2728 10.2967 10.2967 10.5445 10.5445 10.5531 10.5531 10.8077 10.8077 11.1604 11.1604 11.4943 11.4943 13.3745 13.3745 13.4922 13.4922 13.6828 13.6828 13.8742 13.8742 14.0015 14.0015 14.0639 14.0639 k = 0.0000 0.0341 0.2026 ( 4596 PWs) bands (ev): -2.1858 -2.1858 -1.5674 -1.5674 0.2505 0.2505 4.8283 4.8283 5.9902 5.9902 6.3785 6.3785 6.9221 6.9221 6.9475 6.9475 7.3784 7.3784 7.8636 7.8636 7.9441 7.9441 8.0553 8.0553 8.1474 8.1474 8.2484 8.2484 8.4704 8.4704 10.0622 10.0622 10.2643 10.2643 10.2901 10.2901 10.5473 10.5473 10.5604 10.5604 10.8070 10.8070 11.1541 11.1541 11.4963 11.4963 13.3413 13.3413 13.3944 13.3944 13.6657 13.6657 13.9561 13.9561 13.9931 13.9931 14.0738 14.0738 k = 0.0000 0.0455 0.2026 ( 4588 PWs) bands (ev): -2.1762 -2.1762 -1.5588 -1.5588 0.2549 0.2549 4.8383 4.8383 5.9090 5.9090 6.3804 6.3804 6.9063 6.9063 6.9482 6.9482 7.3933 7.3933 7.8689 7.8689 7.9831 7.9831 8.0016 8.0016 8.1527 8.1527 8.2402 8.2402 8.5330 8.5330 10.0668 10.0668 10.2519 10.2519 10.2833 10.2833 10.5478 10.5478 10.5717 10.5717 10.8062 10.8062 11.1458 11.1458 11.4990 11.4990 13.2967 13.2967 13.3001 13.3001 13.6438 13.6438 13.9458 13.9458 14.0542 14.0542 14.0969 14.0969 k = 0.0000 0.0568 0.2026 ( 4594 PWs) bands (ev): -2.1639 -2.1639 -1.5477 -1.5477 0.2605 0.2605 4.8510 4.8510 5.8121 5.8121 6.3826 6.3826 6.8859 6.8859 6.9497 6.9497 7.4119 7.4119 7.8752 7.8752 7.9112 7.9112 8.0677 8.0677 8.1596 8.1596 8.2300 8.2300 8.5937 8.5937 10.0711 10.0711 10.2367 10.2367 10.2766 10.2766 10.5474 10.5474 10.5843 10.5843 10.8055 10.8055 11.1361 11.1361 11.5022 11.5022 13.1997 13.1997 13.2535 13.2535 13.6186 13.6186 13.9035 13.9035 14.1257 14.1257 14.1355 14.1355 k = 0.0000 0.0682 0.2026 ( 4598 PWs) bands (ev): -2.1488 -2.1488 -1.5342 -1.5342 0.2673 0.2673 4.8664 4.8664 5.7029 5.7029 6.3847 6.3847 6.8615 6.8615 6.9516 6.9516 7.4334 7.4334 7.8387 7.8387 7.8829 7.8829 8.1408 8.1408 8.1674 8.1674 8.2189 8.2189 8.6522 8.6522 10.0739 10.0739 10.2204 10.2204 10.2700 10.2700 10.5463 10.5463 10.5963 10.5963 10.8053 10.8053 11.1257 11.1257 11.5057 11.5057 13.1035 13.1035 13.2040 13.2040 13.5913 13.5913 13.8570 13.8570 14.1621 14.1621 14.2085 14.2085 k = 0.0000 0.0795 0.2026 ( 4594 PWs) bands (ev): -2.1309 -2.1309 -1.5182 -1.5182 0.2752 0.2752 4.8841 4.8841 5.5841 5.5841 6.3864 6.3864 6.8339 6.8339 6.9540 6.9540 7.4572 7.4572 7.7668 7.7668 7.8919 7.8919 8.1730 8.1730 8.2062 8.2062 8.2216 8.2216 8.7086 8.7086 10.0735 10.0735 10.2044 10.2044 10.2635 10.2635 10.5445 10.5445 10.6059 10.6059 10.8060 10.8060 11.1160 11.1160 11.5093 11.5093 13.0087 13.0087 13.1534 13.1534 13.5631 13.5631 13.8102 13.8102 14.1994 14.1994 14.2759 14.2759 k = 0.0000 0.0909 0.2026 ( 4602 PWs) bands (ev): -2.1104 -2.1104 -1.4999 -1.4999 0.2842 0.2842 4.9038 4.9038 5.4585 5.4585 6.3872 6.3872 6.8038 6.8038 6.9565 6.9565 7.4826 7.4826 7.6961 7.6961 7.9023 7.9023 8.1687 8.1687 8.2085 8.2085 8.2994 8.2994 8.7627 8.7627 10.0683 10.0683 10.1900 10.1900 10.2576 10.2576 10.5418 10.5418 10.6113 10.6113 10.8079 10.8079 11.1084 11.1084 11.5127 11.5127 12.9154 12.9154 13.1029 13.1029 13.5349 13.5349 13.7651 13.7651 14.2367 14.2367 14.3187 14.3187 k = 0.0000 0.1023 0.2026 ( 4598 PWs) bands (ev): -2.0871 -2.0871 -1.4792 -1.4792 0.2941 0.2941 4.9240 4.9240 5.3288 5.3288 6.3866 6.3866 6.7717 6.7717 6.9593 6.9593 7.5090 7.5090 7.6274 7.6274 7.9142 7.9142 8.1537 8.1537 8.2192 8.2192 8.3805 8.3805 8.8143 8.8143 10.0573 10.0573 10.1770 10.1770 10.2528 10.2528 10.5379 10.5379 10.6105 10.6105 10.8117 10.8117 11.1049 11.1049 11.5158 11.5158 12.8238 12.8238 13.0538 13.0538 13.5078 13.5078 13.7231 13.7231 14.2719 14.2719 14.3446 14.3446 k = 0.0000 0.1136 0.2026 ( 4598 PWs) bands (ev): -2.0611 -2.0611 -1.4562 -1.4562 0.3049 0.3049 4.9405 4.9405 5.2007 5.2007 6.3839 6.3839 6.7378 6.7378 6.9623 6.9623 7.5360 7.5360 7.5616 7.5616 7.9277 7.9277 8.1338 8.1338 8.2346 8.2346 8.4617 8.4617 8.8634 8.8634 10.0408 10.0408 10.1645 10.1645 10.2492 10.2492 10.5328 10.5328 10.6019 10.6019 10.8177 10.8177 11.1070 11.1070 11.5180 11.5180 12.7343 12.7343 13.0068 13.0068 13.4829 13.4829 13.6851 13.6851 14.3027 14.3027 14.3609 14.3609 k = 0.0000 0.1250 0.2026 ( 4598 PWs) bands (ev): -2.0323 -2.0323 -1.4309 -1.4309 0.3166 0.3166 4.9319 4.9319 5.0965 5.0965 6.3782 6.3782 6.7025 6.7025 6.9653 6.9653 7.4990 7.4990 7.5641 7.5641 7.9428 7.9428 8.1113 8.1113 8.2527 8.2527 8.5425 8.5425 8.9099 8.9099 10.0202 10.0202 10.1511 10.1511 10.2465 10.2465 10.5263 10.5263 10.5844 10.5844 10.8263 10.8263 11.1159 11.1159 11.5191 11.5191 12.6469 12.6469 12.9627 12.9627 13.4610 13.4610 13.6519 13.6519 14.3269 14.3269 14.3651 14.3651 k = 0.0000 0.1364 0.2026 ( 4604 PWs) bands (ev): -2.0009 -2.0009 -1.4034 -1.4034 0.3291 0.3291 4.8473 4.8473 5.0682 5.0682 6.3687 6.3687 6.6659 6.6659 6.9685 6.9685 7.4417 7.4417 7.5919 7.5919 7.9594 7.9594 8.0868 8.0868 8.2731 8.2731 8.6222 8.6222 8.9535 8.9535 9.9969 9.9969 10.1359 10.1359 10.2437 10.2437 10.5182 10.5182 10.5577 10.5577 10.8380 10.8380 11.1323 11.1323 11.5188 11.5188 12.5618 12.5618 12.9221 12.9221 13.4430 13.4430 13.6240 13.6240 14.3431 14.3431 14.3550 14.3550 k = 0.0000 0.1477 0.2026 ( 4600 PWs) bands (ev): -1.9667 -1.9667 -1.3736 -1.3736 0.3421 0.3421 4.7153 4.7153 5.0875 5.0875 6.3546 6.3546 6.6282 6.6282 6.9717 6.9717 7.3903 7.3903 7.6199 7.6199 7.9774 7.9774 8.0607 8.0607 8.2956 8.2956 8.7006 8.7006 8.9941 8.9941 9.9716 9.9716 10.1187 10.1187 10.2395 10.2395 10.5077 10.5077 10.5236 10.5236 10.8530 10.8530 11.1557 11.1557 11.5166 11.5166 12.4792 12.4792 12.8855 12.8855 13.4296 13.4296 13.6018 13.6018 14.3290 14.3290 14.3509 14.3509 k = 0.0000 0.1591 0.2026 ( 4600 PWs) bands (ev): -1.9299 -1.9299 -1.3416 -1.3416 0.3557 0.3557 4.5711 4.5711 5.1199 5.1199 6.3349 6.3349 6.5896 6.5896 6.9749 6.9749 7.3458 7.3458 7.6478 7.6478 7.9964 7.9964 8.0340 8.0340 8.3201 8.3201 8.7776 8.7776 9.0314 9.0314 9.9454 9.9454 10.0994 10.0994 10.2331 10.2331 10.4771 10.4771 10.5004 10.5004 10.8716 10.8716 11.1855 11.1855 11.5123 11.5123 12.3991 12.3991 12.8534 12.8534 13.4215 13.4215 13.5856 13.5856 14.2865 14.2865 14.3505 14.3505 k = 0.0000 0.1705 0.2026 ( 4598 PWs) bands (ev): -1.8903 -1.8903 -1.3076 -1.3076 0.3696 0.3696 4.4225 4.4225 5.1580 5.1580 6.3090 6.3090 6.5500 6.5500 6.9781 6.9781 7.3091 7.3091 7.6755 7.6755 8.0002 8.0002 8.0227 8.0227 8.3466 8.3466 8.8530 8.8530 9.0654 9.0654 9.9186 9.9186 10.0781 10.0781 10.2236 10.2236 10.4287 10.4287 10.4874 10.4874 10.8936 10.8936 11.2208 11.2208 11.5056 11.5056 12.3218 12.3218 12.8259 12.8259 13.4192 13.4192 13.5755 13.5755 14.2278 14.2278 14.3429 14.3429 k = 0.0000 0.1818 0.2026 ( 4604 PWs) bands (ev): -1.8481 -1.8481 -1.2715 -1.2715 0.3838 0.3838 4.2718 4.2718 5.1998 5.1998 6.2765 6.2765 6.5096 6.5096 6.9813 6.9813 7.2805 7.2805 7.7030 7.7030 7.9723 7.9723 8.0435 8.0435 8.3752 8.3752 8.9268 8.9268 9.0956 9.0956 9.8916 9.8916 10.0552 10.0552 10.2107 10.2107 10.3751 10.3751 10.4735 10.4735 10.9191 10.9191 11.2606 11.2606 11.4963 11.4963 12.2471 12.2471 12.8033 12.8033 13.4230 13.4230 13.5714 13.5714 14.1542 14.1542 14.3283 14.3283 k = 0.0000 0.1932 0.2026 ( 4606 PWs) bands (ev): -1.8032 -1.8032 -1.2334 -1.2334 0.3981 0.3981 4.1198 4.1198 5.2447 5.2447 6.2375 6.2375 6.4685 6.4685 6.9844 6.9844 7.2603 7.2603 7.7302 7.7302 7.9417 7.9417 8.0677 8.0677 8.4059 8.4059 8.9990 8.9990 9.1218 9.1218 9.8647 9.8647 10.0306 10.0306 10.1940 10.1940 10.3186 10.3186 10.4580 10.4580 10.9479 10.9479 11.3043 11.3043 11.4843 11.4843 12.1754 12.1754 12.7856 12.7856 13.4332 13.4332 13.5734 13.5734 14.0681 14.0681 14.2873 14.2873 k = 0.0000 0.2045 0.2026 ( 4606 PWs) bands (ev): -1.7556 -1.7556 -1.1933 -1.1933 0.4124 0.4124 3.9673 3.9673 5.2922 5.2922 6.1925 6.1925 6.4267 6.4267 6.9876 6.9876 7.2481 7.2481 7.7570 7.7570 7.9101 7.9101 8.0935 8.0935 8.4389 8.4389 9.0696 9.0696 9.1436 9.1436 9.8379 9.8379 10.0044 10.0044 10.1725 10.1725 10.2619 10.2619 10.4407 10.4407 10.9799 10.9799 11.3510 11.3510 11.4698 11.4698 12.1065 12.1065 12.7723 12.7723 13.4500 13.4500 13.5809 13.5809 13.9720 13.9720 14.1684 14.1684 k = 0.0000 0.2159 0.2026 ( 4606 PWs) bands (ev): -1.7054 -1.7054 -1.1514 -1.1514 0.4264 0.4264 3.8146 3.8146 5.3421 5.3421 6.1423 6.1423 6.3844 6.3844 6.9908 6.9908 7.2431 7.2431 7.7833 7.7833 7.8779 7.8779 8.1208 8.1208 8.4741 8.4741 9.1384 9.1384 9.1607 9.1607 9.8113 9.8113 9.9768 9.9768 10.1432 10.1432 10.2100 10.2100 10.4215 10.4215 11.0147 11.0147 11.3988 11.3988 11.4540 11.4540 12.0407 12.0407 12.7632 12.7632 13.4733 13.4733 13.5929 13.5929 13.8687 13.8687 14.0410 14.0410 k = 0.0000 0.2273 0.2026 ( 4606 PWs) bands (ev): -1.6525 -1.6525 -1.1077 -1.1077 0.4400 0.4400 3.6619 3.6619 5.3942 5.3942 6.0879 6.0879 6.3417 6.3417 6.9939 6.9939 7.2446 7.2446 7.8088 7.8088 7.8455 7.8455 8.1493 8.1493 8.5117 8.5117 9.1724 9.1724 9.2054 9.2054 9.7850 9.7850 9.9478 9.9478 10.1008 10.1008 10.1699 10.1699 10.4003 10.4003 11.0523 11.0523 11.4233 11.4233 11.4612 11.4612 11.9779 11.9779 12.7573 12.7573 13.5028 13.5028 13.6067 13.6067 13.7610 13.7610 13.9176 13.9176 k = 0.0000 0.2386 0.2026 ( 4602 PWs) bands (ev): -1.5970 -1.5970 -1.0624 -1.0624 0.4530 0.4530 3.5097 3.5097 5.4481 5.4481 6.0304 6.0304 6.2988 6.2988 6.9972 6.9972 7.2516 7.2516 7.8104 7.8104 7.8361 7.8361 8.1790 8.1790 8.5517 8.5517 9.1784 9.1784 9.2702 9.2702 9.7589 9.7589 9.9174 9.9174 10.0485 10.0485 10.1409 10.1409 10.3774 10.3774 11.0924 11.0924 11.4046 11.4046 11.5110 11.5110 11.9181 11.9181 12.7535 12.7535 13.5376 13.5376 13.6112 13.6112 13.6529 13.6529 13.8104 13.8104 k = 0.0000 0.2500 0.2026 ( 4594 PWs) bands (ev): -1.5389 -1.5389 -1.0154 -1.0154 0.4652 0.4652 3.3580 3.3580 5.5036 5.5036 5.9708 5.9708 6.2559 6.2559 7.0004 7.0004 7.2630 7.2630 7.7777 7.7777 7.8604 7.8604 8.2097 8.2097 8.5942 8.5942 9.1780 9.1780 9.3325 9.3325 9.7329 9.7329 9.8855 9.8855 9.9941 9.9941 10.1174 10.1174 10.3525 10.3525 11.1347 11.1347 11.3801 11.3801 11.5657 11.5657 11.8615 11.8615 12.7496 12.7496 13.5410 13.5410 13.5572 13.5572 13.5966 13.5966 13.7563 13.7563 k = 0.0000 0.2614 0.2026 ( 4598 PWs) bands (ev): -1.4781 -1.4781 -0.9669 -0.9669 0.4765 0.4765 3.2070 3.2070 5.5602 5.5602 5.9101 5.9101 6.2135 6.2135 7.0037 7.0037 7.2780 7.2780 7.7443 7.7443 7.8847 7.8847 8.2414 8.2414 8.6393 8.6393 9.1707 9.1707 9.3915 9.3915 9.7067 9.7067 9.8523 9.8523 9.9422 9.9422 10.0975 10.0975 10.3257 10.3257 11.1788 11.1788 11.3536 11.3536 11.6218 11.6218 11.8080 11.8080 12.7430 12.7430 13.4385 13.4385 13.4711 13.4711 13.6336 13.6336 13.7660 13.7660 k = 0.0000 0.2727 0.2026 ( 4610 PWs) bands (ev): -1.4148 -1.4148 -0.9169 -0.9169 0.4865 0.4865 3.0570 3.0570 5.6171 5.6171 5.8493 5.8493 6.1722 6.1722 7.0071 7.0071 7.2957 7.2957 7.7108 7.7108 7.9087 7.9087 8.2739 8.2739 8.6870 8.6870 9.1560 9.1560 9.4463 9.4463 9.6804 9.6804 9.8177 9.8177 9.8953 9.8953 10.0814 10.0814 10.2973 10.2973 11.2231 11.2231 11.3268 11.3268 11.6781 11.6781 11.7580 11.7580 12.7291 12.7291 13.3416 13.3416 13.3627 13.3627 13.6852 13.6852 13.8015 13.8015 k = 0.0000 0.2841 0.2026 ( 4606 PWs) bands (ev): -1.3489 -1.3489 -0.8657 -0.8657 0.4951 0.4951 2.9080 2.9080 5.6730 5.6730 5.7893 5.7893 6.1334 6.1334 7.0107 7.0107 7.3154 7.3154 7.6775 7.6775 7.9321 7.9321 8.3073 8.3073 8.7374 8.7374 9.1335 9.1335 9.4950 9.4950 9.6541 9.6541 9.7823 9.7823 9.8546 9.8546 10.0705 10.0705 10.2675 10.2675 11.2565 11.2565 11.3113 11.3113 11.7080 11.7080 11.7374 11.7374 12.7025 12.7025 13.2352 13.2352 13.2776 13.2776 13.7418 13.7418 13.8481 13.8481 k = 0.0000 0.2955 0.2026 ( 4616 PWs) bands (ev): -1.2803 -1.2803 -0.8133 -0.8133 0.5020 0.5020 2.7602 2.7602 5.7208 5.7208 5.7352 5.7352 6.0994 6.0994 7.0145 7.0145 7.3361 7.3361 7.6444 7.6444 7.9551 7.9551 8.3413 8.3413 8.7903 8.7903 9.1033 9.1033 9.5353 9.5353 9.6284 9.6284 9.7467 9.7467 9.8206 9.8206 10.0662 10.0662 10.2364 10.2364 11.2447 11.2447 11.3412 11.3412 11.6656 11.6656 11.7910 11.7910 12.6579 12.6579 13.1225 13.1225 13.2232 13.2232 13.8014 13.8014 13.9020 13.9020 k = 0.0000 0.3068 0.2026 ( 4610 PWs) bands (ev): -1.2093 -1.2093 -0.7598 -0.7598 0.5071 0.5071 2.6136 2.6136 5.6724 5.6724 5.7711 5.7711 6.0752 6.0752 7.0185 7.0185 7.3574 7.3574 7.6116 7.6116 7.9775 7.9775 8.3759 8.3759 8.8459 8.8459 9.0659 9.0659 9.5620 9.5620 9.6068 9.6068 9.7114 9.7114 9.7932 9.7932 10.0706 10.0706 10.2045 10.2045 11.2132 11.2132 11.3913 11.3913 11.6250 11.6250 11.8436 11.8436 12.5938 12.5938 13.0131 13.0131 13.1942 13.1942 13.8609 13.8609 13.9616 13.9616 k = 0.0000 0.3182 0.2026 ( 4616 PWs) bands (ev): -1.1357 -1.1357 -0.7053 -0.7053 0.5102 0.5102 2.4685 2.4685 5.6182 5.6182 5.7987 5.7987 6.0692 6.0692 7.0228 7.0228 7.3784 7.3784 7.5794 7.5794 7.9996 7.9996 8.4111 8.4111 8.9035 8.9035 9.0226 9.0226 9.5620 9.5620 9.6007 9.6007 9.6767 9.6767 9.7720 9.7720 10.0841 10.0841 10.1731 10.1731 11.1771 11.1771 11.4460 11.4460 11.5877 11.5877 11.8920 11.8920 12.5135 12.5135 12.9098 12.9098 13.1868 13.1868 13.9141 13.9141 14.0261 14.0261 k = 0.0000 0.3295 0.2026 ( 4618 PWs) bands (ev): -1.0596 -1.0596 -0.6500 -0.6500 0.5110 0.5110 2.3248 2.3248 5.5668 5.5668 5.8025 5.8025 6.0887 6.0887 7.0275 7.0275 7.3983 7.3983 7.5477 7.5477 8.0212 8.0212 8.4468 8.4468 8.9531 8.9531 8.9846 8.9846 9.5432 9.5432 9.6007 9.6007 9.6443 9.6443 9.7563 9.7563 10.1008 10.1008 10.1490 10.1490 11.1383 11.1383 11.5022 11.5022 11.5549 11.5549 11.9337 11.9337 12.4228 12.4228 12.8154 12.8154 13.1956 13.1956 13.9482 13.9482 14.0948 14.0948 k = 0.0000 0.3409 0.2026 ( 4610 PWs) bands (ev): -0.9809 -0.9809 -0.5941 -0.5941 0.5093 0.5093 2.1827 2.1827 5.5187 5.5187 5.7850 5.7850 6.1311 6.1311 7.0325 7.0325 7.4165 7.4165 7.5166 7.5166 8.0424 8.0424 8.4829 8.4829 8.9153 8.9153 9.0329 9.0329 9.5223 9.5223 9.5859 9.5859 9.6208 9.6208 9.7443 9.7443 10.0888 10.0888 10.1635 10.1635 11.0971 11.0971 11.5178 11.5178 11.5682 11.5682 11.9648 11.9648 12.3268 12.3268 12.7335 12.7335 13.2157 13.2157 13.9568 13.9568 14.1645 14.1645 k = 0.0000 0.3523 0.2026 ( 4598 PWs) bands (ev): -0.8998 -0.8998 -0.5377 -0.5377 0.5050 0.5050 2.0422 2.0422 5.4744 5.4744 5.7549 5.7549 6.1877 6.1877 7.0380 7.0380 7.4320 7.4320 7.4865 7.4865 8.0633 8.0633 8.5194 8.5194 8.8604 8.8604 9.0983 9.0983 9.5020 9.5020 9.5557 9.5557 9.6071 9.6071 9.7342 9.7342 10.0577 10.0577 10.2056 10.2056 11.0532 11.0532 11.4915 11.4915 11.6288 11.6288 11.9805 11.9805 12.2293 12.2293 12.6685 12.6685 13.2438 13.2438 13.9493 13.9493 14.2299 14.2299 k = 0.0000 0.3636 0.2026 ( 4598 PWs) bands (ev): -0.8163 -0.8163 -0.4809 -0.4809 0.4980 0.4980 1.9034 1.9034 5.4342 5.4342 5.7185 5.7185 6.2523 6.2523 7.0441 7.0441 7.4429 7.4429 7.4584 7.4584 8.0838 8.0838 8.5563 8.5563 8.8038 8.8038 9.1669 9.1669 9.4821 9.4821 9.5216 9.5216 9.5947 9.5947 9.7249 9.7249 10.0234 10.0234 10.2575 10.2575 11.0064 11.0064 11.4669 11.4669 11.6930 11.6930 11.9759 11.9759 12.1330 12.1330 12.6246 12.6246 13.2776 13.2776 13.9347 13.9347 14.2732 14.2732 k = 0.0000 0.3750 0.2026 ( 4604 PWs) bands (ev): -0.7303 -0.7303 -0.4240 -0.4240 0.4880 0.4880 1.7665 1.7665 5.3984 5.3984 5.6793 5.6793 6.3214 6.3214 7.0507 7.0507 7.4265 7.4265 7.4544 7.4544 8.1041 8.1041 8.5933 8.5933 8.7474 8.7474 9.2379 9.2379 9.4595 9.4595 9.4903 9.4903 9.5817 9.5817 9.7160 9.7160 9.9887 9.9887 10.3152 10.3152 10.9564 10.9564 11.4452 11.4452 11.7590 11.7590 11.9485 11.9485 12.0403 12.0403 12.6035 12.6035 13.3156 13.3156 13.9170 13.9170 14.1995 14.1995 k = 0.0000 0.3864 0.2026 ( 4608 PWs) bands (ev): -0.6419 -0.6419 -0.3672 -0.3672 0.4751 0.4751 1.6314 1.6314 5.3671 5.3671 5.6390 5.6390 6.3933 6.3933 7.0580 7.0580 7.3992 7.3992 7.4571 7.4571 8.1241 8.1241 8.6295 8.6295 8.6935 8.6935 9.3108 9.3108 9.4294 9.4294 9.4683 9.4683 9.5682 9.5682 9.7076 9.7076 9.9543 9.9543 10.3770 10.3770 10.9026 10.9026 11.4266 11.4266 11.8256 11.8256 11.9011 11.9011 11.9534 11.9534 12.6021 12.6021 13.3568 13.3568 13.8973 13.8973 14.1108 14.1108 k = 0.0000 0.3977 0.2026 ( 4618 PWs) bands (ev): -0.5512 -0.5512 -0.3105 -0.3105 0.4591 0.4591 1.4982 1.4982 5.3406 5.3406 5.5987 5.5987 6.4670 6.4670 7.0659 7.0659 7.3724 7.3724 7.4545 7.4545 8.1439 8.1439 8.6332 8.6332 8.6747 8.6747 9.3794 9.3794 9.3978 9.3978 9.4555 9.4555 9.5546 9.5546 9.7000 9.7000 9.9206 9.9206 10.4420 10.4420 10.8448 10.8448 11.4113 11.4113 11.8333 11.8333 11.8653 11.8653 11.9059 11.9059 12.6139 12.6139 13.4004 13.4004 13.8763 13.8763 14.0244 14.0244 k = 0.0000 0.4091 0.2026 ( 4612 PWs) bands (ev): -0.4583 -0.4583 -0.2543 -0.2543 0.4401 0.4401 1.3670 1.3670 5.3189 5.3189 5.5590 5.5590 6.5418 6.5418 7.0747 7.0747 7.3465 7.3465 7.4455 7.4455 8.1635 8.1635 8.5863 8.5863 8.7101 8.7101 9.3524 9.3524 9.4331 9.4331 9.4755 9.4755 9.5411 9.5411 9.6933 9.6933 9.8882 9.8882 10.5094 10.5094 10.7828 10.7828 11.3991 11.3991 11.7613 11.7613 11.7940 11.7940 11.9720 11.9720 12.6321 12.6321 13.4458 13.4458 13.8542 13.8542 13.9429 13.9429 k = 0.0000 0.4205 0.2026 ( 4618 PWs) bands (ev): -0.3632 -0.3632 -0.1987 -0.1987 0.4182 0.4182 1.2379 1.2379 5.3021 5.3021 5.5206 5.5206 6.6171 6.6171 7.0842 7.0842 7.3215 7.3215 7.4294 7.4294 8.1829 8.1829 8.5406 8.5406 8.7484 8.7484 9.3128 9.3128 9.4302 9.4302 9.5277 9.5277 9.5498 9.5498 9.6880 9.6880 9.8575 9.8575 10.5782 10.5782 10.7168 10.7168 11.3902 11.3902 11.6837 11.6837 11.7249 11.7249 12.0439 12.0439 12.6508 12.6508 13.4926 13.4926 13.8311 13.8311 13.8686 13.8686 k = 0.0000 0.4318 0.2026 ( 4614 PWs) bands (ev): -0.2663 -0.2663 -0.1441 -0.1441 0.3935 0.3935 1.1109 1.1109 5.2902 5.2902 5.4838 5.4838 6.6925 6.6925 7.0945 7.0945 7.2977 7.2977 7.4058 7.4058 8.2023 8.2023 8.4986 8.4986 8.7874 8.7874 9.2725 9.2725 9.4258 9.4258 9.5145 9.5145 9.6297 9.6297 9.6844 9.6844 9.8293 9.8293 10.6327 10.6327 10.6626 10.6626 11.3846 11.3846 11.6034 11.6034 11.6625 11.6625 12.1170 12.1170 12.6654 12.6654 13.5403 13.5403 13.8031 13.8031 13.8076 13.8076 k = 0.0000 0.4432 0.2026 ( 4612 PWs) bands (ev): -0.1678 -0.1678 -0.0906 -0.0906 0.3664 0.3664 0.9862 0.9862 5.2833 5.2833 5.4491 5.4491 6.7676 6.7676 7.1057 7.1057 7.2749 7.2749 7.3748 7.3748 8.2216 8.2216 8.4608 8.4608 8.8267 8.8267 9.2318 9.2318 9.4234 9.4234 9.5016 9.5016 9.6809 9.6809 9.7110 9.7110 9.8057 9.8057 10.5675 10.5675 10.7255 10.7255 11.3821 11.3821 11.5219 11.5219 11.6076 11.6076 12.1903 12.1903 12.6721 12.6721 13.5882 13.5882 13.7495 13.7495 13.7832 13.7832 k = 0.0000 0.4545 0.2026 ( 4610 PWs) bands (ev): -0.0689 -0.0689 -0.0384 -0.0384 0.3380 0.3380 0.8638 0.8638 5.2811 5.2811 5.4168 5.4168 6.8418 6.8418 7.1179 7.1179 7.2531 7.2531 7.3364 7.3364 8.2409 8.2409 8.4270 8.4270 8.8664 8.8664 9.1910 9.1910 9.4233 9.4233 9.4889 9.4889 9.6814 9.6814 9.7610 9.7610 9.8156 9.8156 10.4894 10.4894 10.7992 10.7992 11.3810 11.3810 11.4418 11.4418 11.5600 11.5600 12.2632 12.2632 12.6679 12.6679 13.6352 13.6352 13.7090 13.7090 13.7600 13.7600 k = 0.0000 0.4659 0.2026 ( 4614 PWs) bands (ev): 0.0100 0.0100 0.0299 0.0299 0.3108 0.3108 0.7441 0.7441 5.2837 5.2837 5.3872 5.3872 6.9147 6.9147 7.1309 7.1309 7.2325 7.2325 7.2913 7.2913 8.2604 8.2604 8.3968 8.3968 8.9063 8.9063 9.1501 9.1501 9.4256 9.4256 9.4767 9.4767 9.6834 9.6834 9.7490 9.7490 9.8919 9.8919 10.4078 10.4078 10.8747 10.8747 11.3481 11.3481 11.3974 11.3974 11.5194 11.5194 12.3348 12.3348 12.6512 12.6512 13.6699 13.6699 13.6898 13.6898 13.7422 13.7422 k = 0.0000 0.4773 0.2026 ( 4614 PWs) bands (ev): 0.0579 0.0579 0.1145 0.1145 0.2952 0.2952 0.6275 0.6275 5.2908 5.2908 5.3607 5.3607 6.9857 6.9857 7.1448 7.1448 7.2128 7.2128 7.2404 7.2404 8.2803 8.2803 8.3697 8.3697 8.9465 8.9465 9.1092 9.1092 9.4300 9.4300 9.4651 9.4651 9.6878 9.6878 9.7319 9.7319 9.9772 9.9772 10.3237 10.3237 10.9516 10.9516 11.2698 11.2698 11.4028 11.4028 11.4851 11.4851 12.4039 12.4039 12.6215 12.6215 13.6637 13.6637 13.6960 13.6960 13.7549 13.7549 k = 0.0000 0.4886 0.2026 ( 4630 PWs) bands (ev): 0.1015 0.1015 0.1536 0.1536 0.3252 0.3252 0.5151 0.5151 5.3023 5.3023 5.3375 5.3375 7.0541 7.0541 7.1574 7.1574 7.1845 7.1845 7.1961 7.1961 8.3008 8.3008 8.3450 8.3450 8.9869 8.9869 9.0683 9.0683 9.4364 9.4364 9.4543 9.4543 9.6948 9.6948 9.7168 9.7168 10.0640 10.0640 10.2379 10.2379 11.0297 11.0297 11.1891 11.1891 11.4157 11.4157 11.4566 11.4566 12.4690 12.4690 12.5800 12.5800 13.6620 13.6620 13.6825 13.6825 13.7974 13.7974 k = 0.0000 0.5000 0.2026 ( 4620 PWs) bands (ev): 0.1377 0.1377 0.1377 0.1377 0.4100 0.4100 0.4100 0.4100 5.3179 5.3179 5.3179 5.3179 7.1187 7.1187 7.1187 7.1187 7.1788 7.1788 7.1788 7.1788 8.3222 8.3222 8.3222 8.3222 9.0276 9.0276 9.0276 9.0276 9.4447 9.4447 9.4447 9.4447 9.7044 9.7044 9.7044 9.7044 10.1512 10.1512 10.1512 10.1512 11.1090 11.1090 11.1090 11.1090 11.4336 11.4336 11.4336 11.4336 12.5284 12.5284 12.5284 12.5284 13.6692 13.6692 13.6692 13.6692 13.8449 13.8449 k = 0.0000 0.5000 0.2026 ( 4620 PWs) bands (ev): 0.1377 0.1377 0.1377 0.1377 0.4100 0.4100 0.4100 0.4100 5.3179 5.3179 5.3179 5.3179 7.1187 7.1187 7.1187 7.1187 7.1788 7.1788 7.1788 7.1788 8.3222 8.3222 8.3222 8.3222 9.0276 9.0276 9.0276 9.0276 9.4447 9.4447 9.4447 9.4447 9.7044 9.7044 9.7044 9.7044 10.1512 10.1512 10.1512 10.1512 11.1090 11.1090 11.1090 11.1090 11.4336 11.4336 11.4336 11.4336 12.5284 12.5284 12.5284 12.5284 13.6692 13.6692 13.6692 13.6692 13.8449 13.8449 k = 0.0114 0.5000 0.2026 ( 4628 PWs) bands (ev): 0.1381 0.1381 0.1384 0.1384 0.4111 0.4111 0.4113 0.4113 5.3173 5.3173 5.3189 5.3189 7.1070 7.1070 7.1165 7.1165 7.1794 7.1794 7.1919 7.1919 8.3189 8.3189 8.3243 8.3243 9.0254 9.0254 9.0295 9.0295 9.4441 9.4441 9.4449 9.4449 9.7035 9.7035 9.7039 9.7039 10.1297 10.1297 10.1326 10.1326 11.1181 11.1181 11.1286 11.1286 11.4229 11.4229 11.4298 11.4298 12.5421 12.5421 12.5430 12.5430 13.6356 13.6356 13.6637 13.6637 13.8517 13.8517 k = 0.0227 0.5000 0.2026 ( 4624 PWs) bands (ev): 0.1394 0.1394 0.1400 0.1400 0.4145 0.4145 0.4149 0.4149 5.3169 5.3169 5.3201 5.3201 7.0895 7.0895 7.1016 7.1016 7.1926 7.1926 7.2108 7.2108 8.3145 8.3145 8.3251 8.3251 9.0231 9.0231 9.0312 9.0312 9.4433 9.4433 9.4450 9.4450 9.7009 9.7009 9.7017 9.7017 10.0733 10.0733 10.0778 10.0778 11.1525 11.1525 11.1726 11.1726 11.3988 11.3988 11.4129 11.4129 12.5824 12.5824 12.5846 12.5846 13.5864 13.5864 13.6252 13.6252 13.8937 13.8937 k = 0.0341 0.5000 0.2026 ( 4624 PWs) bands (ev): 0.1417 0.1417 0.1426 0.1426 0.4202 0.4202 0.4209 0.4209 5.3167 5.3167 5.3215 5.3215 7.0702 7.0702 7.0822 7.0822 7.2104 7.2104 7.2314 7.2314 8.3090 8.3090 8.3248 8.3248 9.0205 9.0205 9.0322 9.0322 9.4416 9.4416 9.4447 9.4447 9.6951 9.6951 9.6959 9.6959 9.9928 9.9928 9.9972 9.9972 11.2023 11.2023 11.2320 11.2320 11.3647 11.3647 11.3872 11.3872 12.6454 12.6454 12.6492 12.6492 13.5351 13.5351 13.5770 13.5770 13.9481 13.9481 k = 0.0455 0.5000 0.2026 ( 4620 PWs) bands (ev): 0.1450 0.1450 0.1461 0.1461 0.4282 0.4282 0.4292 0.4292 5.3166 5.3166 5.3231 5.3231 7.0506 7.0506 7.0616 7.0616 7.2296 7.2296 7.2525 7.2525 8.3025 8.3025 8.3231 8.3231 9.0174 9.0174 9.0318 9.0318 9.4386 9.4386 9.4440 9.4440 9.6814 9.6814 9.6817 9.6817 9.9027 9.9027 9.9053 9.9053 11.2512 11.2512 11.2885 11.2885 11.3342 11.3342 11.3641 11.3641 12.7252 12.7252 12.7313 12.7313 13.4876 13.4876 13.5298 13.5298 14.0049 14.0049 k = 0.0568 0.5000 0.2026 ( 4620 PWs) bands (ev): 0.1492 0.1492 0.1507 0.1507 0.4386 0.4386 0.4398 0.4398 5.3166 5.3166 5.3246 5.3246 7.0311 7.0311 7.0408 7.0408 7.2492 7.2492 7.2735 7.2735 8.2952 8.2952 8.3202 8.3202 9.0130 9.0130 9.0290 9.0290 9.4325 9.4325 9.4422 9.4422 9.6430 9.6430 9.6481 9.6481 9.8246 9.8246 9.8255 9.8255 11.2608 11.2608 11.2647 11.2647 11.3788 11.3788 11.3818 11.3818 12.8146 12.8146 12.8239 12.8239 13.4490 13.4490 13.4897 13.4897 14.0598 14.0598 k = 0.0682 0.5000 0.2026 ( 4616 PWs) bands (ev): 0.1544 0.1544 0.1561 0.1561 0.4513 0.4513 0.4527 0.4527 5.3165 5.3165 5.3259 5.3259 7.0122 7.0122 7.0205 7.0205 7.2688 7.2688 7.2943 7.2943 8.2870 8.2870 8.3160 8.3160 9.0059 9.0059 9.0217 9.0217 9.4179 9.4179 9.4376 9.4376 9.5642 9.5642 9.5835 9.5835 9.7812 9.7812 9.7822 9.7822 11.2156 11.2156 11.2280 11.2280 11.4329 11.4329 11.4512 11.4512 12.9033 12.9033 12.9174 12.9174 13.4271 13.4271 13.4641 13.4641 14.1106 14.1106 k = 0.0795 0.5000 0.2026 ( 4612 PWs) bands (ev): 0.1605 0.1605 0.1625 0.1625 0.4662 0.4662 0.4679 0.4679 5.3161 5.3161 5.3268 5.3268 6.9942 6.9942 7.0012 7.0012 7.2881 7.2881 7.3146 7.3146 8.2781 8.2781 8.3106 8.3106 8.9936 8.9936 9.0061 9.0061 9.3793 9.3793 9.4130 9.4130 9.4772 9.4772 9.5176 9.5176 9.7652 9.7652 9.7663 9.7663 11.1637 11.1637 11.1833 11.1833 11.4950 11.4950 11.5195 11.5195 12.9759 12.9759 12.9976 12.9976 13.4346 13.4346 13.4649 13.4649 14.1558 14.1558 k = 0.0909 0.5000 0.2026 ( 4608 PWs) bands (ev): 0.1675 0.1675 0.1697 0.1697 0.4835 0.4835 0.4854 0.4854 5.3152 5.3152 5.3272 5.3272 6.9774 6.9774 6.9830 6.9830 7.3070 7.3070 7.3344 7.3344 8.2684 8.2684 8.3038 8.3038 8.9699 8.9699 8.9745 8.9745 9.3088 9.3088 9.3234 9.3234 9.4515 9.4515 9.4840 9.4840 9.7608 9.7608 9.7615 9.7615 11.1110 11.1110 11.1356 11.1356 11.5564 11.5564 11.5843 11.5843 13.0171 13.0171 13.0476 13.0476 13.4847 13.4847 13.5067 13.5067 14.1944 14.1944 k = 0.1023 0.5000 0.2026 ( 4596 PWs) bands (ev): 0.1754 0.1754 0.1779 0.1779 0.5030 0.5030 0.5051 0.5051 5.3136 5.3136 5.3267 5.3267 6.9620 6.9620 6.9664 6.9664 7.3253 7.3253 7.3535 7.3535 8.2578 8.2578 8.2957 8.2957 8.9152 8.9152 8.9237 8.9237 9.2305 9.2305 9.2388 9.2388 9.4450 9.4450 9.4699 9.4699 9.7615 9.7615 9.7616 9.7616 11.0586 11.0586 11.0870 11.0870 11.6146 11.6146 11.6447 11.6447 13.0260 13.0260 13.0630 13.0630 13.5758 13.5758 13.5917 13.5917 14.2264 14.2264 k = 0.1136 0.5000 0.2026 ( 4596 PWs) bands (ev): 0.1841 0.1841 0.1868 0.1868 0.5247 0.5247 0.5270 0.5270 5.3111 5.3111 5.3252 5.3252 6.9483 6.9483 6.9517 6.9517 7.3429 7.3429 7.3718 7.3718 8.2459 8.2459 8.2857 8.2857 8.8236 8.8236 8.8436 8.8436 9.1670 9.1670 9.1916 9.1916 9.4401 9.4401 9.4617 9.4617 9.7641 9.7641 9.7654 9.7654 11.0070 11.0070 11.0386 11.0386 11.6687 11.6687 11.7002 11.7002 13.0149 13.0149 13.0553 13.0553 13.6933 13.6933 13.7059 13.7059 14.2527 14.2527 k = 0.1250 0.5000 0.2026 ( 4592 PWs) bands (ev): 0.1936 0.1936 0.1966 0.1966 0.5486 0.5486 0.5512 0.5512 5.3074 5.3074 5.3224 5.3224 6.9365 6.9365 6.9390 6.9390 7.3595 7.3595 7.3889 7.3889 8.2320 8.2320 8.2729 8.2729 8.7092 8.7092 8.7349 8.7349 9.1322 9.1322 9.1646 9.1646 9.4348 9.4348 9.4551 9.4551 9.7684 9.7684 9.7713 9.7713 10.9563 10.9563 10.9909 10.9909 11.7180 11.7180 11.7507 11.7507 12.9951 12.9951 13.0371 13.0371 13.8226 13.8226 13.8335 13.8335 14.2760 14.2760 k = 0.1364 0.5000 0.2026 ( 4592 PWs) bands (ev): 0.2039 0.2039 0.2071 0.2071 0.5746 0.5746 0.5775 0.5775 5.3024 5.3024 5.3181 5.3181 6.9269 6.9269 6.9287 6.9287 7.3746 7.3746 7.4046 7.4046 8.2141 8.2141 8.2552 8.2552 8.5861 8.5861 8.6143 8.6143 9.1138 9.1138 9.1488 9.1488 9.4288 9.4288 9.4485 9.4485 9.7740 9.7740 9.7790 9.7790 10.9070 10.9070 10.9441 10.9441 11.7622 11.7622 11.7958 11.7958 12.9729 12.9729 13.0155 13.0155 13.9527 13.9527 13.9616 13.9616 14.3015 14.3015 k = 0.1477 0.5000 0.2026 ( 4588 PWs) bands (ev): 0.2149 0.2149 0.2183 0.2183 0.6028 0.6028 0.6059 0.6059 5.2959 5.2959 5.3121 5.3121 6.9195 6.9195 6.9208 6.9208 7.3877 7.3877 7.4180 7.4180 8.1875 8.1875 8.2268 8.2268 8.4670 8.4670 8.4980 8.4980 9.1032 9.1032 9.1384 9.1384 9.4216 9.4216 9.4413 9.4413 9.7809 9.7809 9.7881 9.7881 10.8590 10.8590 10.8986 10.8986 11.8013 11.8013 11.8355 11.8355 12.9516 12.9516 12.9945 12.9945 14.0714 14.0714 14.0749 14.0749 14.3402 14.3402 k = 0.1591 0.5000 0.2026 ( 4588 PWs) bands (ev): 0.2266 0.2266 0.2302 0.2302 0.6331 0.6331 0.6364 0.6364 5.2876 5.2876 5.3041 5.3041 6.9144 6.9144 6.9154 6.9154 7.3977 7.3977 7.4282 7.4282 8.1410 8.1410 8.1753 8.1753 8.3682 8.3682 8.4042 8.4042 9.0961 9.0961 9.1304 9.1304 9.4133 9.4133 9.4333 9.4333 9.7886 9.7886 9.7984 9.7984 10.8124 10.8124 10.8543 10.8543 11.8350 11.8350 11.8698 11.8698 12.9329 12.9329 12.9760 12.9760 14.1532 14.1532 14.1634 14.1634 14.4095 14.4095 k = 0.1705 0.5000 0.2026 ( 4588 PWs) bands (ev): 0.2389 0.2389 0.2427 0.2427 0.6654 0.6654 0.6689 0.6689 5.2775 5.2775 5.2942 5.2942 6.9114 6.9114 6.9124 6.9124 7.4027 7.4027 7.4330 7.4330 8.0638 8.0638 8.0918 8.0918 8.3050 8.3050 8.3467 8.3467 9.0907 9.0907 9.1233 9.1233 9.4038 9.4038 9.4241 9.4241 9.7972 9.7972 9.8097 9.8097 10.7674 10.7674 10.8113 10.8113 11.8633 11.8633 11.8986 11.8986 12.9181 12.9181 12.9614 12.9614 14.1933 14.1933 14.2197 14.2197 14.5100 14.5100 k = 0.1818 0.5000 0.2026 ( 4592 PWs) bands (ev): 0.2518 0.2518 0.2558 0.2558 0.6997 0.6997 0.7033 0.7033 5.2655 5.2655 5.2821 5.2821 6.9103 6.9103 6.9116 6.9116 7.3995 7.3995 7.4287 7.4287 7.9672 7.9672 7.9906 7.9906 8.2715 8.2715 8.3161 8.3161 9.0858 9.0858 9.1164 9.1164 9.3929 9.3929 9.4138 9.4138 9.8063 9.8063 9.8217 9.8217 10.7238 10.7238 10.7696 10.7696 11.8862 11.8862 11.9219 11.9219 12.9077 12.9077 12.9513 12.9513 14.2119 14.2119 14.2496 14.2496 14.6224 14.6224 k = 0.1932 0.5000 0.2026 ( 4588 PWs) bands (ev): 0.2653 0.2653 0.2694 0.2694 0.7359 0.7359 0.7397 0.7397 5.2516 5.2516 5.2680 5.2680 6.9104 6.9104 6.9123 6.9123 7.3829 7.3829 7.4092 7.4092 7.8743 7.8743 7.8928 7.8928 8.2525 8.2525 8.2982 8.2982 9.0810 9.0810 9.1094 9.1094 9.3808 9.3808 9.4024 9.4024 9.8160 9.8160 9.8344 9.8344 10.6819 10.6819 10.7293 10.7293 11.9039 11.9039 11.9399 11.9399 12.9022 12.9022 12.9463 12.9463 14.2216 14.2216 14.2660 14.2660 14.7314 14.7314 k = 0.2045 0.5000 0.2026 ( 4588 PWs) bands (ev): 0.2792 0.2792 0.2834 0.2834 0.7739 0.7739 0.7779 0.7779 5.2358 5.2358 5.2518 5.2518 6.9101 6.9101 6.9130 6.9130 7.3463 7.3463 7.3672 7.3672 7.8021 7.8021 7.8138 7.8138 8.2404 8.2404 8.2863 8.2863 9.0760 9.0760 9.1019 9.1019 9.3675 9.3675 9.3897 9.3897 9.8258 9.8258 9.8473 9.8473 10.6414 10.6414 10.6903 10.6903 11.9165 11.9165 11.9528 11.9528 12.9019 12.9019 12.9466 12.9466 14.2274 14.2274 14.2759 14.2759 14.8297 14.8297 k = 0.2159 0.5000 0.2026 ( 4588 PWs) bands (ev): 0.2935 0.2935 0.2979 0.2979 0.8137 0.8137 0.8179 0.8179 5.2182 5.2182 5.2336 5.2336 6.9065 6.9065 6.9109 6.9109 7.2875 7.2875 7.3017 7.3017 7.7581 7.7581 7.7617 7.7617 8.2320 8.2320 8.2777 8.2777 9.0705 9.0705 9.0938 9.0938 9.3530 9.3530 9.3758 9.3758 9.8357 9.8357 9.8604 9.8604 10.6026 10.6026 10.6526 10.6526 11.9244 11.9244 11.9608 11.9608 12.9069 12.9069 12.9523 12.9523 14.2316 14.2316 14.2827 14.2827 14.9144 14.9144 k = 0.2273 0.5000 0.2026 ( 4596 PWs) bands (ev): 0.3082 0.3082 0.3126 0.3126 0.8552 0.8552 0.8595 0.8595 5.1988 5.1988 5.2136 5.2136 6.8928 6.8928 6.8996 6.8996 7.2158 7.2158 7.2249 7.2249 7.7350 7.7350 7.7384 7.7384 8.2261 8.2261 8.2714 8.2714 9.0645 9.0645 9.0851 9.0851 9.3374 9.3374 9.3608 9.3608 9.8455 9.8455 9.8732 9.8732 10.5652 10.5652 10.6163 10.6163 11.9281 11.9281 11.9645 11.9645 12.9173 12.9173 12.9636 12.9636 14.2352 14.2352 14.2879 14.2879 14.9854 14.9854 k = 0.2386 0.5000 0.2026 ( 4596 PWs) bands (ev): 0.3231 0.3231 0.3277 0.3277 0.8982 0.8982 0.9027 0.9027 5.1780 5.1780 5.1919 5.1919 6.8569 6.8569 6.8662 6.8662 7.1520 7.1520 7.1581 7.1581 7.7264 7.7264 7.7346 7.7346 8.2222 8.2222 8.2669 8.2669 9.0578 9.0578 9.0757 9.0757 9.3207 9.3207 9.3447 9.3447 9.8550 9.8550 9.8857 9.8857 10.5295 10.5295 10.5813 10.5813 11.9280 11.9280 11.9644 11.9644 12.9329 12.9329 12.9803 12.9803 14.2385 14.2385 14.2921 14.2921 15.0448 15.0448 k = 0.2500 0.5000 0.2026 ( 4600 PWs) bands (ev): 0.3383 0.3383 0.3429 0.3429 0.9428 0.9428 0.9474 0.9474 5.1558 5.1558 5.1688 5.1688 6.7873 6.7873 6.7987 6.7987 7.1154 7.1154 7.1196 7.1196 7.7288 7.7288 7.7402 7.7402 8.2200 8.2200 8.2640 8.2640 9.0506 9.0506 9.0658 9.0658 9.3031 9.3031 9.3276 9.3276 9.8639 9.8639 9.8975 9.8975 10.4954 10.4954 10.5476 10.5476 11.9247 11.9247 11.9608 11.9608 12.9536 12.9536 13.0023 13.0023 14.2416 14.2416 14.2956 14.2956 15.0951 15.0951 k = 0.2614 0.5000 0.2026 ( 4596 PWs) bands (ev): 0.3536 0.3536 0.3582 0.3582 0.9886 0.9886 0.9934 0.9934 5.1325 5.1325 5.1446 5.1446 6.6893 6.6893 6.7016 6.7016 7.1058 7.1058 7.1081 7.1081 7.7380 7.7380 7.7514 7.7514 8.2195 8.2195 8.2627 8.2627 9.0426 9.0426 9.0552 9.0552 9.2846 9.2846 9.3096 9.3096 9.8722 9.8722 9.9085 9.9085 10.4629 10.4629 10.5153 10.5153 11.9189 11.9189 11.9546 11.9546 12.9792 12.9792 13.0292 13.0292 14.2443 14.2443 14.2983 14.2983 15.1385 15.1385 k = 0.2727 0.5000 0.2026 ( 4596 PWs) bands (ev): 0.3689 0.3689 0.3735 0.3735 1.0357 1.0357 1.0406 1.0406 5.1084 5.1084 5.1194 5.1194 6.5758 6.5758 6.5887 6.5887 7.1119 7.1119 7.1126 7.1126 7.7515 7.7515 7.7660 7.7660 8.2205 8.2205 8.2629 8.2629 9.0341 9.0341 9.0441 9.0441 9.2653 9.2653 9.2907 9.2907 9.8796 9.8796 9.9184 9.9184 10.4321 10.4321 10.4843 10.4843 11.9111 11.9111 11.9462 11.9462 13.0095 13.0095 13.0609 13.0609 14.2465 14.2465 14.3002 14.3002 15.1770 15.1770 k = 0.2841 0.5000 0.2026 ( 4584 PWs) bands (ev): 0.3842 0.3842 0.3888 0.3888 1.0839 1.0839 1.0888 1.0888 5.0837 5.0837 5.0936 5.0936 6.4558 6.4558 6.4691 6.4691 7.1256 7.1256 7.1262 7.1262 7.7677 7.7677 7.7830 7.7830 8.2231 8.2231 8.2646 8.2646 9.0250 9.0250 9.0325 9.0325 9.2454 9.2454 9.2711 9.2711 9.8860 9.8860 9.9272 9.9272 10.4029 10.4029 10.4547 10.4547 11.9018 11.9018 11.9361 11.9361 13.0441 13.0441 13.0971 13.0971 14.2479 14.2479 14.3010 14.3010 15.2117 15.2117 k = 0.2955 0.5000 0.2026 ( 4592 PWs) bands (ev): 0.3995 0.3995 0.4040 0.4040 1.1329 1.1329 1.1379 1.1379 5.0587 5.0587 5.0674 5.0674 6.3335 6.3335 6.3472 6.3472 7.1430 7.1430 7.1447 7.1447 7.7858 7.7858 7.8015 7.8015 8.2272 8.2272 8.2679 8.2679 9.0153 9.0153 9.0204 9.0204 9.2250 9.2250 9.2509 9.2509 9.8913 9.8913 9.9345 9.9345 10.3754 10.3754 10.4265 10.4265 11.8915 11.8915 11.9250 11.9250 13.0827 13.0827 13.1373 13.1373 14.2482 14.2482 14.3007 14.3007 15.2435 15.2435 k = 0.3068 0.5000 0.2026 ( 4592 PWs) bands (ev): 0.4145 0.4145 0.4190 0.4190 1.1826 1.1826 1.1876 1.1876 5.0337 5.0337 5.0412 5.0412 6.2115 6.2115 6.2254 6.2254 7.1629 7.1629 7.1655 7.1655 7.8054 7.8054 7.8212 7.8212 8.2330 8.2330 8.2727 8.2727 9.0051 9.0051 9.0079 9.0079 9.2042 9.2042 9.2303 9.2303 9.8954 9.8954 9.9403 9.9403 10.3497 10.3497 10.3998 10.3998 11.8808 11.8808 11.9131 11.9131 13.1250 13.1250 13.1812 13.1812 14.2473 14.2473 14.2990 14.2990 15.2730 15.2731 k = 0.3182 0.5000 0.2026 ( 4588 PWs) bands (ev): 0.4293 0.4293 0.4337 0.4337 1.2328 1.2328 1.2378 1.2378 5.0088 5.0088 5.0152 5.0152 6.0912 6.0912 6.1053 6.1053 7.1841 7.1841 7.1874 7.1874 7.8260 7.8260 7.8418 7.8418 8.2403 8.2403 8.2790 8.2790 8.9944 8.9944 8.9949 8.9949 9.1831 9.1831 9.2093 9.2093 9.8983 9.8983 9.9445 9.9445 10.3258 10.3258 10.3746 10.3746 11.8699 11.8699 11.9009 11.9009 13.1705 13.1705 13.2284 13.2284 14.2451 14.2451 14.2959 14.2959 15.3004 15.3005 k = 0.3295 0.5000 0.2026 ( 4580 PWs) bands (ev): 0.4437 0.4437 0.4480 0.4480 1.2832 1.2832 1.2882 1.2882 4.9845 4.9845 4.9896 4.9896 5.9734 5.9734 5.9876 5.9876 7.2057 7.2057 7.2096 7.2096 7.8473 7.8473 7.8629 7.8629 8.2491 8.2491 8.2869 8.2869 8.9816 8.9816 8.9831 8.9831 9.1620 9.1620 9.1882 9.1882 9.9001 9.9001 9.9470 9.9470 10.3037 10.3037 10.3509 10.3509 11.8593 11.8593 11.8888 11.8888 13.2189 13.2189 13.2785 13.2785 14.2416 14.2416 14.2916 14.2916 15.3260 15.3260 k = 0.3409 0.5000 0.2026 ( 4572 PWs) bands (ev): 0.4578 0.4578 0.4619 0.4619 1.3335 1.3335 1.3384 1.3384 4.9609 4.9609 4.9648 4.9648 5.8589 5.8589 5.8733 5.8733 7.2271 7.2271 7.2314 7.2314 7.8691 7.8691 7.8845 7.8845 8.2595 8.2595 8.2962 8.2962 8.9678 8.9678 8.9713 8.9713 9.1409 9.1409 9.1672 9.1672 9.9006 9.9006 9.9478 9.9478 10.2835 10.2835 10.3287 10.3287 11.8490 11.8490 11.8771 11.8771 13.2697 13.2697 13.3309 13.3309 14.2369 14.2369 14.2861 14.2861 15.3496 15.3497 k = 0.3523 0.5000 0.2026 ( 4572 PWs) bands (ev): 0.4713 0.4713 0.4752 0.4752 1.3834 1.3834 1.3883 1.3883 4.9383 4.9383 4.9410 4.9410 5.7482 5.7482 5.7627 5.7627 7.2479 7.2479 7.2525 7.2525 7.8913 7.8913 7.9062 7.9062 8.2713 8.2713 8.3068 8.3068 8.9537 8.9537 8.9589 8.9589 9.1202 9.1202 9.1463 9.1463 9.9000 9.9000 9.9469 9.9469 10.2652 10.2652 10.3081 10.3081 11.8394 11.8394 11.8658 11.8658 13.3223 13.3223 13.3849 13.3849 14.2312 14.2312 14.2797 14.2797 15.3714 15.3714 k = 0.3636 0.5000 0.2026 ( 4576 PWs) bands (ev): 0.4842 0.4842 0.4879 0.4879 1.4326 1.4326 1.4373 1.4373 4.9170 4.9170 4.9184 4.9184 5.6420 5.6420 5.6566 5.6566 7.2677 7.2677 7.2724 7.2724 7.9136 7.9136 7.9280 7.9280 8.2844 8.2844 8.3187 8.3187 8.9392 8.9392 8.9460 8.9460 9.1001 9.1001 9.1259 9.1259 9.8985 9.8985 9.9445 9.9445 10.2488 10.2488 10.2891 10.2891 11.8306 11.8306 11.8551 11.8551 13.3759 13.3759 13.4398 13.4398 14.2251 14.2251 14.2729 14.2729 15.3911 15.3911 k = 0.3750 0.5000 0.2026 ( 4576 PWs) bands (ev): 0.4964 0.4964 0.4999 0.4999 1.4807 1.4807 1.4852 1.4852 4.8972 4.8972 4.8974 4.8974 5.5406 5.5406 5.5553 5.5553 7.2863 7.2863 7.2910 7.2910 7.9357 7.9357 7.9495 7.9495 8.2988 8.2988 8.3317 8.3317 8.9245 8.9245 8.9325 8.9325 9.0807 9.0807 9.1061 9.1061 9.8961 9.8961 9.9406 9.9406 10.2342 10.2342 10.2716 10.2716 11.8226 11.8226 11.8453 11.8453 13.4300 13.4300 13.4947 13.4947 14.2190 14.2190 14.2660 14.2660 15.4086 15.4086 k = 0.3864 0.5000 0.2026 ( 4576 PWs) bands (ev): 0.5079 0.5079 0.5112 0.5112 1.5272 1.5272 1.5316 1.5316 4.8781 4.8781 4.8792 4.8792 5.4446 5.4446 5.4593 5.4593 7.3035 7.3035 7.3081 7.3081 7.9575 7.9575 7.9706 7.9706 8.3141 8.3141 8.3454 8.3454 8.9095 8.9095 8.9185 8.9185 9.0624 9.0624 9.0872 9.0872 9.8932 9.8932 9.9356 9.9356 10.2215 10.2215 10.2558 10.2558 11.8155 11.8155 11.8362 11.8362 13.4835 13.4835 13.5486 13.5486 14.2137 14.2137 14.2598 14.2598 15.4237 15.4237 k = 0.3977 0.5000 0.2026 ( 4572 PWs) bands (ev): 0.5186 0.5186 0.5216 0.5216 1.5717 1.5717 1.5758 1.5758 4.8609 4.8609 4.8632 4.8632 5.3544 5.3544 5.3691 5.3691 7.3192 7.3192 7.3235 7.3235 7.9786 7.9786 7.9909 7.9909 8.3303 8.3303 8.3598 8.3598 8.8944 8.8944 8.9040 8.9040 9.0454 9.0454 9.0692 9.0692 9.8898 9.8898 9.9296 9.9296 10.2105 10.2105 10.2415 10.2415 11.8093 11.8093 11.8281 11.8281 13.5355 13.5355 13.6001 13.6001 14.2100 14.2100 14.2549 14.2549 15.4364 15.4364 k = 0.4091 0.5000 0.2026 ( 4568 PWs) bands (ev): 0.5284 0.5284 0.5311 0.5311 1.6137 1.6137 1.6175 1.6175 4.8460 4.8460 4.8496 4.8496 5.2704 5.2704 5.2851 5.2851 7.3332 7.3332 7.3372 7.3372 7.9988 7.9988 8.0101 8.0101 8.3469 8.3469 8.3744 8.3744 8.8793 8.8793 8.8891 8.8891 9.0299 9.0299 9.0524 9.0524 9.8863 9.8863 9.9230 9.9230 10.2011 10.2011 10.2287 10.2287 11.8040 11.8040 11.8208 11.8208 13.5849 13.5849 13.6480 13.6480 14.2087 14.2087 14.2518 14.2518 15.4465 15.4465 k = 0.4205 0.5000 0.2026 ( 4568 PWs) bands (ev): 0.5372 0.5372 0.5396 0.5396 1.6526 1.6526 1.6560 1.6560 4.8338 4.8338 4.8387 4.8387 5.1931 5.1931 5.2078 5.2078 7.3455 7.3455 7.3492 7.3492 8.0178 8.0178 8.0280 8.0280 8.3637 8.3637 8.3889 8.3889 8.8645 8.8645 8.8741 8.8741 9.0162 9.0162 9.0370 9.0370 9.8829 9.8829 9.9160 9.9160 10.1933 10.1933 10.2173 10.2173 11.7996 11.7996 11.8143 11.8143 13.6307 13.6307 13.6908 13.6908 14.2107 14.2107 14.2511 14.2511 15.4539 15.4539 k = 0.4318 0.5000 0.2026 ( 4576 PWs) bands (ev): 0.5450 0.5450 0.5471 0.5471 1.6878 1.6878 1.6909 1.6909 4.8246 4.8246 4.8307 4.8307 5.1228 5.1228 5.1374 5.1374 7.3561 7.3561 7.3594 7.3594 8.0352 8.0352 8.0443 8.0443 8.3803 8.3803 8.4028 8.4028 8.8502 8.8502 8.8592 8.8592 9.0043 9.0043 9.0230 9.0230 9.8797 9.8797 9.9088 9.9088 10.1868 10.1868 10.2074 10.2074 11.7960 11.7960 11.8087 11.8087 13.6717 13.6717 13.7271 13.7271 14.2164 14.2164 14.2530 14.2530 15.4588 15.4588 k = 0.4432 0.5000 0.2026 ( 4584 PWs) bands (ev): 0.5517 0.5517 0.5535 0.5535 1.7190 1.7190 1.7216 1.7216 4.8188 4.8188 4.8261 4.8261 5.0599 5.0599 5.0744 5.0744 7.3651 7.3651 7.3679 7.3679 8.0508 8.0508 8.0586 8.0586 8.3962 8.3962 8.4157 8.4157 8.8370 8.8370 8.8449 8.8449 8.9944 8.9944 9.0106 9.0106 9.8771 9.8771 9.9019 9.9019 10.1817 10.1817 10.1987 10.1987 11.7933 11.7933 11.8038 11.8038 13.7072 13.7072 13.7561 13.7561 14.2257 14.2257 14.2574 14.2574 15.4614 15.4614 k = 0.4545 0.5000 0.2026 ( 4592 PWs) bands (ev): 0.5573 0.5573 0.5588 0.5588 1.7454 1.7454 1.7475 1.7475 4.8168 4.8168 4.8253 4.8253 5.0046 5.0046 5.0188 5.0188 7.3725 7.3725 7.3748 7.3748 8.0642 8.0642 8.0706 8.0706 8.4109 8.4109 8.4271 8.4271 8.8252 8.8252 8.8318 8.8318 8.9865 8.9865 8.9999 8.9999 9.8752 9.8752 9.8953 9.8953 10.1779 10.1779 10.1915 10.1915 11.7913 11.7913 11.7997 11.7997 13.7368 13.7368 13.7775 13.7775 14.2377 14.2377 14.2636 14.2636 15.4622 15.4623 k = 0.4659 0.5000 0.2026 ( 4592 PWs) bands (ev): 0.5618 0.5618 0.5628 0.5628 1.7666 1.7666 1.7682 1.7682 4.8192 4.8192 4.8287 4.8287 4.9570 4.9570 4.9709 4.9709 7.3782 7.3782 7.3800 7.3800 8.0752 8.0752 8.0801 8.0801 8.4237 8.4237 8.4362 8.4362 8.8154 8.8154 8.8205 8.8205 8.9808 8.9808 8.9911 8.9911 9.8742 9.8742 9.8895 9.8895 10.1753 10.1753 10.1855 10.1855 11.7901 11.7901 11.7964 11.7964 13.7604 13.7604 13.7916 13.7916 14.2508 14.2508 14.2703 14.2703 15.4618 15.4618 k = 0.4773 0.5000 0.2026 ( 4596 PWs) bands (ev): 0.5650 0.5650 0.5657 0.5657 1.7821 1.7821 1.7833 1.7833 4.8263 4.8263 4.8368 4.8368 4.9171 4.9171 4.9305 4.9305 7.3824 7.3824 7.3836 7.3836 8.0835 8.0835 8.0867 8.0867 8.4341 8.4341 8.4426 8.4426 8.8081 8.8081 8.8116 8.8116 8.9771 8.9771 8.9842 8.9842 9.8741 9.8741 9.8844 9.8844 10.1740 10.1740 10.1807 10.1807 11.7895 11.7895 11.7937 11.7937 13.7782 13.7782 13.7994 13.7994 14.2630 14.2630 14.2759 14.2759 15.4613 15.4622 k = 0.4886 0.5000 0.2026 ( 4596 PWs) bands (ev): 0.5670 0.5670 0.5674 0.5674 1.7917 1.7917 1.7923 1.7923 4.8388 4.8388 4.8499 4.8499 4.8852 4.8852 4.8977 4.8977 7.3850 7.3850 7.3856 7.3856 8.0889 8.0889 8.0905 8.0905 8.4415 8.4415 8.4459 8.4459 8.8039 8.8039 8.8056 8.8056 8.9757 8.9757 8.9793 8.9793 9.8751 9.8751 9.8803 9.8803 10.1738 10.1738 10.1772 10.1772 11.7896 11.7896 11.7917 11.7917 13.7908 13.7908 13.8015 13.8015 14.2725 14.2725 14.2789 14.2789 15.4610 15.4613 k = 0.5000 0.5000 0.2026 ( 4608 PWs) bands (ev): 0.5678 0.5678 0.5678 0.5678 1.7951 1.7951 1.7951 1.7951 4.8557 4.8557 4.8557 4.8557 4.8735 4.8735 4.8735 4.8735 7.3861 7.3861 7.3861 7.3861 8.0912 8.0912 8.0912 8.0912 8.4455 8.4455 8.4455 8.4455 8.8030 8.8030 8.8030 8.8030 8.9764 8.9764 8.9764 8.9764 9.8771 9.8771 9.8771 9.8771 10.1748 10.1748 10.1748 10.1748 11.7903 11.7903 11.7903 11.7903 13.7985 13.7985 13.7985 13.7985 14.2779 14.2779 14.2779 14.2779 15.4620 15.4620 k = 0.5000 0.5000 0.2026 ( 4608 PWs) bands (ev): 0.5678 0.5678 0.5678 0.5678 1.7951 1.7951 1.7951 1.7951 4.8557 4.8557 4.8557 4.8557 4.8735 4.8735 4.8735 4.8735 7.3861 7.3861 7.3861 7.3861 8.0912 8.0912 8.0912 8.0912 8.4455 8.4455 8.4455 8.4455 8.8030 8.8030 8.8030 8.8030 8.9764 8.9764 8.9764 8.9764 9.8771 9.8771 9.8771 9.8771 10.1748 10.1748 10.1748 10.1748 11.7903 11.7903 11.7903 11.7903 13.7985 13.7985 13.7985 13.7985 14.2779 14.2779 14.2779 14.2779 15.4620 15.4620 k = 0.4919 0.4919 0.2026 ( 4600 PWs) bands (ev): 0.5665 0.5665 0.5680 0.5680 1.7875 1.7875 1.7965 1.7965 4.8319 4.8319 4.8643 4.8643 4.8752 4.8752 4.9003 4.9003 7.3849 7.3849 7.3857 7.3857 8.0882 8.0882 8.0911 8.0911 8.4406 8.4406 8.4468 8.4468 8.8031 8.8031 8.8064 8.8064 8.9757 8.9757 8.9793 8.9793 9.8750 9.8750 9.8804 9.8804 10.1737 10.1737 10.1773 10.1773 11.7895 11.7895 11.7918 11.7918 13.7906 13.7906 13.8017 13.8017 14.2723 14.2723 14.2790 14.2790 15.4596 15.4597 k = 0.4839 0.4839 0.2026 ( 4596 PWs) bands (ev): 0.5624 0.5624 0.5683 0.5683 1.7649 1.7649 1.8006 1.8006 4.8043 4.8043 4.8687 4.8687 4.9038 4.9038 4.9342 4.9342 7.3816 7.3816 7.3843 7.3843 8.0800 8.0800 8.0898 8.0898 8.4290 8.4290 8.4483 8.4483 8.8040 8.8040 8.8154 8.8154 8.9771 8.9771 8.9844 8.9844 9.8732 9.8732 9.8854 9.8854 10.1732 10.1732 10.1815 10.1815 11.7890 11.7890 11.7942 11.7942 13.7765 13.7765 13.8011 13.8011 14.2618 14.2618 14.2769 14.2769 15.4540 15.4540 k = 0.4758 0.4758 0.2026 ( 4602 PWs) bands (ev): 0.5556 0.5556 0.5688 0.5688 1.7281 1.7281 1.8073 1.8073 4.7783 4.7783 4.8751 4.8751 4.9510 4.9510 4.9713 4.9713 7.3764 7.3764 7.3820 7.3820 8.0661 8.0661 8.0875 8.0875 8.4117 8.4117 8.4507 8.4507 8.8056 8.8056 8.8288 8.8288 8.9805 8.9805 8.9917 8.9917 9.8716 9.8716 9.8924 9.8924 10.1728 10.1728 10.1877 10.1877 11.7885 11.7885 11.7977 11.7977 13.7552 13.7552 13.7973 13.7973 14.2464 14.2464 14.2738 14.2738 15.4448 15.4448 k = 0.4677 0.4677 0.2026 ( 4594 PWs) bands (ev): 0.5460 0.5460 0.5695 0.5695 1.6787 1.6787 1.8169 1.8169 4.7547 4.7547 4.8839 4.8839 5.0035 5.0035 5.0222 5.0222 7.3692 7.3692 7.3788 7.3788 8.0462 8.0462 8.0838 8.0838 8.3905 8.3905 8.4544 8.4544 8.8078 8.8078 8.8448 8.8448 8.9861 8.9861 9.0014 9.0014 9.8700 9.8700 9.9019 9.9019 10.1726 10.1726 10.1959 10.1959 11.7880 11.7880 11.8025 11.8025 13.7257 13.7257 13.7907 13.7907 14.2262 14.2262 14.2724 14.2724 15.4320 15.4320 k = 0.4597 0.4597 0.2026 ( 4598 PWs) bands (ev): 0.5338 0.5338 0.5702 0.5702 1.6181 1.6181 1.8291 1.8291 4.7336 4.7336 4.8953 4.8953 5.0446 5.0446 5.1018 5.1018 7.3602 7.3602 7.3747 7.3747 8.0199 8.0199 8.0787 8.0787 8.3674 8.3674 8.4596 8.4596 8.8107 8.8107 8.8620 8.8620 8.9937 8.9937 9.0137 9.0137 9.8684 9.8684 9.9137 9.9137 10.1724 10.1724 10.2058 10.2058 11.7874 11.7874 11.8084 11.8084 13.6879 13.6879 13.7814 13.7814 14.2020 14.2020 14.2748 14.2748 15.4159 15.4159 k = 0.4516 0.4516 0.2026 ( 4590 PWs) bands (ev): 0.5188 0.5188 0.5708 0.5708 1.5481 1.5481 1.8440 1.8440 4.7154 4.7154 4.9091 4.9091 5.0854 5.0854 5.1972 5.1972 7.3497 7.3497 7.3698 7.3698 7.9871 7.9871 8.0717 8.0717 8.3437 8.3437 8.4665 8.4665 8.8142 8.8142 8.8788 8.8788 9.0035 9.0035 9.0285 9.0285 9.8671 9.8671 9.9279 9.9279 10.1722 10.1722 10.2175 10.2175 11.7867 11.7867 11.8152 11.8152 13.6426 13.6426 13.7692 13.7692 14.1743 14.1743 14.2825 14.2825 15.3966 15.3966 k = 0.4435 0.4435 0.2026 ( 4584 PWs) bands (ev): 0.5011 0.5011 0.5711 0.5711 1.4705 1.4705 1.8616 1.8616 4.7002 4.7002 4.9254 4.9254 5.1270 5.1270 5.3054 5.3054 7.3378 7.3378 7.3640 7.3640 7.9479 7.9479 8.0629 8.0629 8.3203 8.3203 8.4755 8.4755 8.8183 8.8183 8.8944 8.8944 9.0156 9.0156 9.0461 9.0461 9.8661 9.8661 9.9442 9.9442 10.1721 10.1721 10.2304 10.2304 11.7858 11.7858 11.8228 11.8228 13.5910 13.5910 13.7542 13.7542 14.1440 14.1440 14.2960 14.2960 15.3744 15.3744 k = 0.4355 0.4355 0.2026 ( 4592 PWs) bands (ev): 0.4807 0.4807 0.5710 0.5710 1.3869 1.3869 1.8820 1.8820 4.6882 4.6882 4.9441 4.9441 5.1695 5.1695 5.4244 5.4244 7.3247 7.3247 7.3574 7.3574 7.9026 7.9026 8.0520 8.0520 8.2977 8.2977 8.4865 8.4865 8.8230 8.8230 8.9079 8.9079 9.0298 9.0298 9.0665 9.0665 9.8655 9.8655 9.9627 9.9627 10.1719 10.1719 10.2445 10.2445 11.7848 11.7848 11.8309 11.8309 13.5350 13.5350 13.7365 13.7365 14.1117 14.1117 14.3152 14.3152 15.3495 15.3495 k = 0.4274 0.4274 0.2026 ( 4588 PWs) bands (ev): 0.4576 0.4576 0.5701 0.5701 1.2990 1.2990 1.9050 1.9050 4.6796 4.6796 4.9654 4.9654 5.2130 5.2130 5.5529 5.5529 7.3105 7.3105 7.3501 7.3501 7.8519 7.8519 8.0394 8.0394 8.2759 8.2759 8.4997 8.4997 8.8284 8.8284 8.9190 8.9190 9.0462 9.0462 9.0897 9.0897 9.8656 9.8656 9.9830 9.9830 10.1718 10.1718 10.2594 10.2594 11.7837 11.7837 11.8391 11.8391 13.4762 13.4762 13.7164 13.7164 14.0781 14.0781 14.3399 14.3399 15.3221 15.3221 k = 0.4194 0.4194 0.2026 ( 4588 PWs) bands (ev): 0.4319 0.4319 0.5678 0.5678 1.2084 1.2084 1.9307 1.9307 4.6744 4.6744 4.9890 4.9890 5.2572 5.2572 5.6895 5.6895 7.2955 7.2955 7.3420 7.3420 7.7963 7.7963 8.0252 8.0252 8.2549 8.2549 8.5150 8.5150 8.8344 8.8344 8.9275 8.9275 9.0647 9.0647 9.1156 9.1156 9.8664 9.8664 10.0052 10.0052 10.1716 10.1716 10.2750 10.2750 11.7824 11.7824 11.8472 11.8472 13.4162 13.4162 13.6945 13.6945 14.0438 14.0438 14.3694 14.3694 15.2925 15.2925 k = 0.4113 0.4113 0.2026 ( 4580 PWs) bands (ev): 0.4036 0.4036 0.5632 0.5632 1.1170 1.1170 1.9592 1.9592 4.6729 4.6729 5.0150 5.0150 5.3022 5.3022 5.8329 5.8329 7.2798 7.2798 7.3333 7.3333 7.7365 7.7365 8.0098 8.0098 8.2344 8.2344 8.5324 8.5324 8.8410 8.8410 8.9334 8.9334 9.0850 9.0850 9.1440 9.1440 9.8680 9.8680 10.0289 10.0289 10.1715 10.1715 10.2911 10.2911 11.7810 11.7810 11.8545 11.8545 13.3566 13.3566 13.6714 13.6714 14.0094 14.0094 14.4031 14.4031 15.2609 15.2609 k = 0.4032 0.4032 0.2026 ( 4584 PWs) bands (ev): 0.3727 0.3727 0.5551 0.5551 1.0268 1.0268 1.9903 1.9903 4.6750 4.6750 5.0434 5.0434 5.3479 5.3479 5.9820 5.9820 7.2635 7.2635 7.3239 7.3239 7.6732 7.6732 7.9940 7.9940 8.2143 8.2143 8.5517 8.5517 8.8483 8.8483 8.9369 8.9369 9.1071 9.1071 9.1744 9.1744 9.8706 9.8706 10.0540 10.0540 10.1714 10.1714 10.3074 10.3074 11.7794 11.7794 11.8607 11.8607 13.2984 13.2984 13.6480 13.6480 13.9753 13.9753 14.4406 14.4406 15.2275 15.2275 k = 0.3952 0.3952 0.2026 ( 4582 PWs) bands (ev): 0.3393 0.3393 0.5409 0.5409 0.9410 0.9410 2.0241 2.0241 4.6810 4.6810 5.0741 5.0741 5.3941 5.3941 6.1357 6.1357 7.2466 7.2466 7.3140 7.3140 7.6069 7.6069 7.9783 7.9783 8.1944 8.1944 8.5728 8.5728 8.8563 8.8563 8.9381 8.9381 9.1308 9.1308 9.2068 9.2068 9.8741 9.8741 10.0800 10.0800 10.1714 10.1714 10.3237 10.3237 11.7777 11.7777 11.8652 11.8652 13.2427 13.2427 13.6255 13.6255 13.9419 13.9419 14.4813 14.4813 15.1925 15.1925 k = 0.3871 0.3871 0.2026 ( 4588 PWs) bands (ev): 0.3035 0.3035 0.5168 0.5168 0.8639 0.8639 2.0606 2.0606 4.6908 4.6908 5.1071 5.1071 5.4409 5.4409 6.2927 6.2927 7.2291 7.2291 7.3034 7.3034 7.5382 7.5382 7.9638 7.9638 8.1747 8.1747 8.5957 8.5957 8.8649 8.8649 8.9371 8.9371 9.1562 9.1562 9.2408 9.2408 9.8785 9.8785 10.1070 10.1070 10.1716 10.1716 10.3398 10.3398 11.7757 11.7757 11.8675 11.8675 13.1904 13.1904 13.6049 13.6049 13.9095 13.9095 14.5246 14.5246 15.1561 15.1561 k = 0.3790 0.3790 0.2026 ( 4590 PWs) bands (ev): 0.2654 0.2654 0.4780 0.4780 0.8008 0.8008 2.0998 2.0998 4.7045 4.7045 5.1423 5.1423 5.4881 5.4881 6.4517 6.4517 7.2112 7.2112 7.2923 7.2923 7.4676 7.4676 7.9518 7.9518 8.1551 8.1551 8.6201 8.6201 8.8742 8.8742 8.9341 8.9341 9.1830 9.1830 9.2763 9.2763 9.8840 9.8840 10.1343 10.1343 10.1722 10.1722 10.3557 10.3557 11.7736 11.7736 11.8669 11.8669 13.1421 13.1421 13.5875 13.5875 13.8785 13.8785 14.5701 14.5701 15.1185 15.1185 k = 0.3710 0.3710 0.2026 ( 4594 PWs) bands (ev): 0.2250 0.2250 0.4214 0.4214 0.7552 0.7552 2.1417 2.1417 4.7221 4.7221 5.1798 5.1798 5.5357 5.5357 6.6109 6.6109 7.1929 7.1929 7.2803 7.2803 7.3958 7.3958 7.9438 7.9438 8.1355 8.1355 8.6460 8.6460 8.8841 8.8841 8.9290 8.9290 9.2114 9.2114 9.3131 9.3131 9.8905 9.8905 10.1599 10.1599 10.1752 10.1752 10.3710 10.3710 11.7712 11.7712 11.8630 11.8630 13.0984 13.0984 13.5743 13.5743 13.8490 13.8490 14.6170 14.6170 15.0797 15.0797 k = 0.3629 0.3629 0.2026 ( 4586 PWs) bands (ev): 0.1826 0.1826 0.3488 0.3488 0.7254 0.7254 2.1862 2.1862 4.7435 4.7435 5.2195 5.2195 5.5835 5.5835 6.7676 6.7676 7.1745 7.1745 7.2659 7.2659 7.3248 7.3248 7.9422 7.9422 8.1160 8.1160 8.6732 8.6732 8.8947 8.8947 8.9221 8.9221 9.2410 9.2410 9.3510 9.3510 9.8980 9.8980 10.1697 10.1697 10.1944 10.1944 10.3858 10.3858 11.7687 11.7687 11.8553 11.8553 13.0597 13.0597 13.5665 13.5665 13.8213 13.8213 14.6648 14.6648 15.0399 15.0399 k = 0.3548 0.3548 0.2026 ( 4578 PWs) bands (ev): 0.1382 0.1382 0.2653 0.2653 0.7066 0.7066 2.2333 2.2333 4.7688 4.7688 5.2613 5.2613 5.6315 5.6315 6.9173 6.9173 7.1574 7.1574 7.2333 7.2333 7.2709 7.2709 7.9502 7.9502 8.0967 8.0967 8.7018 8.7018 8.9049 8.9049 8.9143 8.9143 9.2720 9.2720 9.3900 9.3900 9.9065 9.9065 10.1715 10.1715 10.2220 10.2220 10.3997 10.3997 11.7658 11.7658 11.8437 11.8437 13.0263 13.0263 13.5647 13.5647 13.7954 13.7954 14.7128 14.7128 14.9991 14.9991 k = 0.3468 0.3468 0.2026 ( 4580 PWs) bands (ev): 0.0919 0.0919 0.1756 0.1756 0.6944 0.6944 2.2832 2.2832 4.7978 4.7978 5.3052 5.3052 5.6795 5.6795 7.0450 7.0450 7.1513 7.1513 7.1658 7.1658 7.2516 7.2516 7.9726 7.9726 8.0775 8.0775 8.7317 8.7317 8.9011 8.9011 8.9194 8.9194 9.3040 9.3040 9.4298 9.4298 9.9159 9.9159 10.1728 10.1728 10.2503 10.2503 10.4127 10.4127 11.7624 11.7624 11.8281 11.8281 12.9985 12.9985 13.5694 13.5694 13.7715 13.7715 14.7600 14.7600 14.9577 14.9577 k = 0.3387 0.3387 0.2026 ( 4574 PWs) bands (ev): 0.0439 0.0439 0.0826 0.0826 0.6858 0.6858 2.3356 2.3356 4.8305 4.8305 5.3512 5.3512 5.7275 5.7275 7.0848 7.0848 7.0921 7.0921 7.2144 7.2144 7.2401 7.2401 8.0154 8.0154 8.0589 8.0589 8.7628 8.7628 8.8892 8.8892 8.9318 8.9318 9.3371 9.3371 9.4704 9.4704 9.9264 9.9264 10.1743 10.1743 10.2785 10.2785 10.4248 10.4248 11.7582 11.7582 11.8091 11.8091 12.9765 12.9765 13.5810 13.5810 13.7496 13.7496 14.8053 14.8053 14.9158 14.9158 k = 0.3306 0.3306 0.2026 ( 4574 PWs) bands (ev): -0.0130 -0.0130 -0.0044 -0.0044 0.6793 0.6793 2.3907 2.3907 4.8668 4.8668 5.3991 5.3991 5.7753 5.7753 7.0156 7.0156 7.0717 7.0717 7.2241 7.2241 7.3146 7.3146 8.0394 8.0394 8.0862 8.0862 8.7950 8.7950 8.8754 8.8754 8.9451 8.9451 9.3711 9.3711 9.5118 9.5118 9.9376 9.9376 10.1763 10.1763 10.3065 10.3065 10.4357 10.4357 11.7520 11.7520 11.7880 11.7880 12.9603 12.9603 13.5992 13.5992 13.7298 13.7298 14.8432 14.8432 14.8779 14.8779 k = 0.3226 0.3226 0.2026 ( 4574 PWs) bands (ev): -0.1071 -0.1071 -0.0560 -0.0560 0.6737 0.6737 2.4485 2.4485 4.9064 4.9064 5.4490 5.4490 5.8226 5.8226 6.9407 6.9407 7.0493 7.0493 7.2119 7.2119 7.3926 7.3926 8.0215 8.0215 8.1864 8.1864 8.8274 8.8274 8.8609 8.8609 8.9592 8.9592 9.4057 9.4057 9.5539 9.5539 9.9497 9.9497 10.1790 10.1790 10.3342 10.3342 10.4455 10.4455 11.7393 11.7393 11.7696 11.7696 12.9499 12.9499 13.6234 13.6234 13.7124 13.7124 14.8230 14.8230 14.8931 14.8931 k = 0.3145 0.3145 0.2026 ( 4570 PWs) bands (ev): -0.2015 -0.2015 -0.1080 -0.1080 0.6684 0.6684 2.5088 2.5088 4.9492 4.9492 5.5007 5.5007 5.8692 5.8692 6.8666 6.8666 7.0243 7.0243 7.1995 7.1995 7.4491 7.4491 8.0038 8.0038 8.3150 8.3150 8.8394 8.8394 8.8667 8.8667 8.9739 8.9739 9.4409 9.4409 9.5966 9.5966 9.9626 9.9626 10.1824 10.1824 10.3615 10.3615 10.4540 10.4540 11.7156 11.7156 11.7591 11.7591 12.9451 12.9451 13.6506 13.6506 13.6993 13.6993 14.7790 14.7790 14.9180 14.9180 k = 0.3065 0.3065 0.2026 ( 4570 PWs) bands (ev): -0.2950 -0.2950 -0.1611 -0.1611 0.6631 0.6631 2.5717 2.5717 4.9951 4.9951 5.5543 5.5543 5.9147 5.9147 6.7937 6.7937 6.9977 6.9977 7.1873 7.1873 7.4886 7.4886 7.9866 7.9866 8.4658 8.4658 8.8227 8.8227 8.9012 8.9012 8.9892 8.9892 9.4763 9.4763 9.6400 9.6400 9.9761 9.9761 10.1868 10.1868 10.3887 10.3887 10.4614 10.4614 11.6851 11.6851 11.7530 11.7530 12.9458 12.9458 13.6631 13.6631 13.7071 13.7071 14.7305 14.7305 14.8053 14.8053 k = 0.2984 0.2984 0.2026 ( 4580 PWs) bands (ev): -0.3874 -0.3874 -0.2150 -0.2150 0.6574 0.6574 2.6373 2.6373 5.0436 5.0436 5.6097 5.6097 5.9586 5.9586 6.7230 6.7230 6.9701 6.9701 7.1751 7.1751 7.5172 7.5172 7.9699 7.9699 8.6317 8.6317 8.8036 8.8036 8.9382 8.9382 9.0050 9.0050 9.5117 9.5117 9.6840 9.6840 9.9903 9.9903 10.1925 10.1925 10.4156 10.4156 10.4677 10.4677 11.6516 11.6516 11.7480 11.7480 12.9516 12.9516 13.6515 13.6515 13.7432 13.7432 14.6203 14.6203 14.6961 14.6961 k = 0.2903 0.2903 0.2026 ( 4592 PWs) bands (ev): -0.4784 -0.4784 -0.2695 -0.2695 0.6512 0.6512 2.7054 2.7054 5.0947 5.0947 5.6667 5.6667 6.0001 6.0001 6.6555 6.6555 6.9416 6.9416 7.1631 7.1631 7.5393 7.5393 7.9538 7.9538 8.7781 8.7781 8.8128 8.8128 8.9767 8.9767 9.0214 9.0214 9.5468 9.5468 9.7285 9.7285 10.0049 10.0049 10.1996 10.1996 10.4418 10.4418 10.4738 10.4738 11.6168 11.6168 11.7433 11.7433 12.9621 12.9621 13.6321 13.6321 13.7881 13.7881 14.4479 14.4479 14.6459 14.6459 k = 0.2823 0.2823 0.2026 ( 4588 PWs) bands (ev): -0.5677 -0.5677 -0.3246 -0.3246 0.6443 0.6443 2.7760 2.7760 5.1478 5.1478 5.7255 5.7255 6.0380 6.0380 6.5926 6.5926 6.9125 6.9125 7.1513 7.1513 7.5581 7.5581 7.9384 7.9384 8.7596 8.7596 8.9900 8.9900 9.0167 9.0167 9.0402 9.0402 9.5813 9.5813 9.7736 9.7736 10.0200 10.0200 10.2084 10.2084 10.4627 10.4627 10.4849 10.4849 11.5815 11.5815 11.7386 11.7386 12.9768 12.9768 13.6045 13.6045 13.8372 13.8372 14.2780 14.2780 14.5982 14.5982 k = 0.2742 0.2742 0.2026 ( 4598 PWs) bands (ev): -0.6553 -0.6553 -0.3800 -0.3800 0.6367 0.6367 2.8492 2.8492 5.2026 5.2026 5.7858 5.7858 6.0699 6.0699 6.5370 6.5370 6.8831 6.8831 7.1398 7.1398 7.5754 7.5754 7.9236 7.9236 8.7369 8.7369 9.0526 9.0526 9.0575 9.0575 9.1806 9.1806 9.6148 9.6148 9.8191 9.8191 10.0355 10.0355 10.2193 10.2193 10.4701 10.4701 10.5101 10.5101 11.5466 11.5466 11.7338 11.7338 12.9950 12.9950 13.5610 13.5610 13.8888 13.8888 14.1230 14.1230 14.5504 14.5504 k = 0.2661 0.2661 0.2026 ( 4594 PWs) bands (ev): -0.7410 -0.7410 -0.4357 -0.4357 0.6283 0.6283 2.9250 2.9250 5.2584 5.2584 5.8476 5.8476 6.0928 6.0928 6.4924 6.4924 6.8536 6.8536 7.1285 7.1285 7.5923 7.5923 7.9095 7.9095 8.7133 8.7133 9.0700 9.0700 9.0997 9.0997 9.3669 9.3669 9.6471 9.6471 9.8650 9.8650 10.0513 10.0513 10.2325 10.2325 10.4716 10.4716 10.5431 10.5431 11.5130 11.5130 11.7289 11.7289 13.0161 13.0161 13.4886 13.4886 13.9394 13.9394 14.0000 14.0000 14.5025 14.5025 k = 0.2581 0.2581 0.2026 ( 4602 PWs) bands (ev): -0.8247 -0.8247 -0.4913 -0.4913 0.6190 0.6190 3.0032 3.0032 5.3145 5.3145 5.9108 5.9108 6.1025 6.1025 6.4636 6.4636 6.8243 6.8243 7.1175 7.1175 7.6095 7.6095 7.8960 7.8960 8.6889 8.6889 9.0867 9.0867 9.1431 9.1431 9.5510 9.5510 9.6780 9.6780 9.9111 9.9111 10.0672 10.0672 10.2483 10.2483 10.4707 10.4707 10.5824 10.5824 11.4812 11.4812 11.7237 11.7237 13.0392 13.0392 13.3769 13.3769 13.9074 13.9074 14.0012 14.0012 14.4544 14.4544 k = 0.2500 0.2500 0.2026 ( 4602 PWs) bands (ev): -0.9063 -0.9063 -0.5468 -0.5468 0.6089 0.6089 3.0840 3.0840 5.3698 5.3698 5.9753 5.9753 6.0965 6.0965 6.4540 6.4540 6.7953 6.7953 7.1069 7.1069 7.6274 7.6274 7.8830 7.8830 8.6638 8.6638 9.1029 9.1029 9.1876 9.1876 9.7020 9.7020 9.7340 9.7340 9.9572 9.9572 10.0832 10.0832 10.2669 10.2669 10.4682 10.4682 10.6305 10.6305 11.4521 11.4521 11.7183 11.7183 13.0633 13.0633 13.2303 13.2303 13.8601 13.8601 14.0545 14.0545 14.4064 14.4064 k = 0.2419 0.2419 0.2026 ( 4606 PWs) bands (ev): -0.9857 -0.9857 -0.6020 -0.6020 0.5979 0.5979 3.1672 3.1672 5.4226 5.4226 6.0406 6.0406 6.0778 6.0778 6.4627 6.4627 6.7667 6.7667 7.0965 7.0965 7.6463 7.6463 7.8706 7.8706 8.6382 8.6382 9.1185 9.1185 9.2331 9.2331 9.7315 9.7315 9.8979 9.8979 10.0030 10.0030 10.0989 10.0989 10.2886 10.2886 10.4644 10.4644 10.6919 10.6919 11.4265 11.4265 11.7127 11.7127 13.0624 13.0624 13.0876 13.0876 13.8357 13.8357 14.1079 14.1079 14.3587 14.3587 k = 0.2339 0.2339 0.2026 ( 4602 PWs) bands (ev): -1.0629 -1.0629 -0.6567 -0.6567 0.5861 0.5861 3.2529 3.2529 5.4705 5.4705 6.0507 6.0507 6.1095 6.1095 6.4849 6.4849 6.7389 6.7389 7.0866 7.0866 7.6661 7.6661 7.8587 7.8587 8.6123 8.6123 9.1332 9.1332 9.2796 9.2796 9.7559 9.7559 10.0440 10.0440 10.0502 10.0502 10.1142 10.1142 10.3134 10.3134 10.4594 10.4594 10.7728 10.7728 11.4051 11.4051 11.7068 11.7068 12.8840 12.8840 13.1108 13.1108 13.8248 13.8248 14.1596 14.1596 14.3115 14.3115 k = 0.2258 0.2258 0.2026 ( 4602 PWs) bands (ev): -1.1379 -1.1379 -0.7109 -0.7109 0.5736 0.5736 3.3409 3.3409 5.5098 5.5098 6.0278 6.0278 6.1775 6.1775 6.5157 6.5157 6.7119 6.7119 7.0770 7.0770 7.6870 7.6870 7.8471 7.8471 8.5862 8.5862 9.1467 9.1467 9.3269 9.3269 9.7780 9.7780 10.0915 10.0915 10.1262 10.1262 10.1724 10.1724 10.3413 10.3413 10.4535 10.4535 10.8789 10.8789 11.3889 11.3889 11.7007 11.7007 12.7012 12.7012 13.1322 13.1322 13.8217 13.8217 14.2074 14.2074 14.2664 14.2664 k = 0.2177 0.2177 0.2026 ( 4602 PWs) bands (ev): -1.2105 -1.2105 -0.7643 -0.7643 0.5603 0.5603 3.4314 3.4314 5.5360 5.5360 6.0146 6.0146 6.2469 6.2469 6.5518 6.5518 6.6859 6.6859 7.0678 7.0678 7.7087 7.7087 7.8358 7.8358 8.5599 8.5599 9.1586 9.1586 9.3749 9.3749 9.7982 9.7982 10.1332 10.1332 10.1384 10.1384 10.2693 10.2693 10.3723 10.3723 10.4472 10.4472 11.0119 11.0119 11.3788 11.3788 11.6944 11.6944 12.5178 12.5178 13.1508 13.1508 13.8233 13.8233 14.2128 14.2128 14.2615 14.2615 k = 0.2097 0.2097 0.2026 ( 4610 PWs) bands (ev): -1.2808 -1.2808 -0.8169 -0.8169 0.5463 0.5463 3.5242 3.5242 5.5450 5.5450 6.0171 6.0171 6.3174 6.3174 6.5912 6.5912 6.6611 6.6611 7.0590 7.0590 7.7313 7.7313 7.8247 7.8247 8.5336 8.5336 9.1686 9.1686 9.4232 9.4232 9.8170 9.8170 10.1464 10.1464 10.1724 10.1724 10.3429 10.3429 10.4060 10.4060 10.4412 10.4412 11.1677 11.1677 11.3760 11.3760 11.6879 11.6879 12.3361 12.3361 13.1661 13.1661 13.8277 13.8277 14.1702 14.1702 14.3019 14.3019 k = 0.2016 0.2016 0.2026 ( 4618 PWs) bands (ev): -1.3487 -1.3487 -0.8685 -0.8685 0.5317 0.5317 3.6194 3.6194 5.5359 5.5359 6.0372 6.0372 6.3889 6.3889 6.6281 6.6281 6.6423 6.6423 7.0507 7.0507 7.7543 7.7543 7.8140 7.8140 8.5075 8.5075 9.1763 9.1763 9.4718 9.4718 9.8347 9.8347 10.1495 10.1495 10.2080 10.2080 10.3975 10.3975 10.4365 10.4365 10.4433 10.4433 11.3365 11.3365 11.3839 11.3839 11.6817 11.6817 12.1580 12.1580 13.1780 13.1780 13.8337 13.8337 14.1269 14.1269 14.3401 14.3401 k = 0.1935 0.1935 0.2026 ( 4618 PWs) bands (ev): -1.4141 -1.4141 -0.9190 -0.9190 0.5167 0.5167 3.7168 3.7168 5.5119 5.5119 6.0722 6.0722 6.4613 6.4613 6.6126 6.6126 6.6790 6.6790 7.0427 7.0427 7.7761 7.7761 7.8051 7.8051 8.4817 8.4817 9.1813 9.1813 9.5205 9.5205 9.8519 9.8519 10.1457 10.1457 10.2392 10.2392 10.4232 10.4232 10.4525 10.4525 10.4810 10.4810 11.3924 11.3924 11.5212 11.5212 11.6771 11.6771 11.9853 11.9853 13.1871 13.1871 13.8404 13.8404 14.0850 14.0850 14.3740 14.3740 k = 0.1855 0.1855 0.2026 ( 4618 PWs) bands (ev): -1.4771 -1.4771 -0.9683 -0.9683 0.5011 0.5011 3.8165 3.8165 5.4775 5.4775 6.1176 6.1176 6.5345 6.5345 6.5912 6.5912 6.7246 6.7246 7.0352 7.0352 7.7836 7.7836 7.8109 7.8109 8.4563 8.4563 9.1832 9.1832 9.5688 9.5688 9.8691 9.8691 10.1327 10.1327 10.2655 10.2655 10.4249 10.4249 10.4866 10.4866 10.5212 10.5212 11.4164 11.4164 11.6523 11.6523 11.7238 11.7238 11.8200 11.8200 13.1947 13.1947 13.8472 13.8472 14.0450 14.0450 14.4030 14.4030 k = 0.1774 0.1774 0.2026 ( 4612 PWs) bands (ev): -1.5375 -1.5375 -1.0163 -1.0163 0.4853 0.4853 3.9183 3.9183 5.4370 5.4370 6.1690 6.1690 6.5706 6.5706 6.6086 6.6086 6.7720 6.7720 7.0282 7.0282 7.7745 7.7745 7.8335 7.8335 8.4315 8.4315 9.1817 9.1817 9.6166 9.6166 9.8867 9.8867 10.1082 10.1082 10.2862 10.2862 10.4271 10.4271 10.5182 10.5182 10.5627 10.5627 11.4495 11.4495 11.6524 11.6524 11.6656 11.6656 11.8999 11.8999 13.2028 13.2028 13.8534 13.8534 14.0073 14.0073 14.4267 14.4267 k = 0.1694 0.1694 0.2026 ( 4612 PWs) bands (ev): -1.5955 -1.5955 -1.0628 -1.0628 0.4692 0.4692 4.0223 4.0223 5.3932 5.3932 6.2236 6.2236 6.5513 6.5513 6.6831 6.6831 6.8213 6.8213 7.0215 7.0215 7.7626 7.7626 7.8587 7.8587 8.4073 8.4073 9.1766 9.1766 9.6636 9.6636 9.9049 9.9049 10.0705 10.0705 10.3013 10.3013 10.4322 10.4322 10.5463 10.5463 10.6051 10.6051 11.4879 11.4879 11.5218 11.5218 11.6502 11.6502 12.0789 12.0789 13.2147 13.2147 13.8584 13.8584 13.9725 13.9725 14.4453 14.4453 k = 0.1613 0.1613 0.2026 ( 4618 PWs) bands (ev): -1.6508 -1.6508 -1.1078 -1.1078 0.4530 0.4530 4.1283 4.1283 5.3478 5.3478 6.2792 6.2792 6.5331 6.5331 6.7583 6.7583 6.8724 6.8724 7.0154 7.0154 7.7496 7.7496 7.8847 7.8847 8.3840 8.3840 9.1676 9.1676 9.7095 9.7095 9.9241 9.9241 10.0183 10.0183 10.3108 10.3108 10.4400 10.4400 10.5715 10.5715 10.6479 10.6479 11.3836 11.3836 11.5433 11.5433 11.6478 11.6478 12.2486 12.2486 13.2348 13.2348 13.8617 13.8617 13.9411 13.9411 14.4586 14.4586 k = 0.1532 0.1532 0.2026 ( 4618 PWs) bands (ev): -1.7037 -1.7037 -1.1512 -1.1512 0.4367 0.4367 4.2362 4.2362 5.3022 5.3022 6.3345 6.3345 6.5161 6.5161 6.8339 6.8339 6.9252 6.9252 7.0098 7.0098 7.7358 7.7358 7.9110 7.9110 8.3615 8.3615 9.1547 9.1547 9.7539 9.7539 9.9419 9.9419 9.9528 9.9528 10.3154 10.3154 10.4500 10.4500 10.5939 10.5939 10.6907 10.6907 11.2669 11.2669 11.5861 11.5861 11.6610 11.6610 12.4027 12.4027 13.2690 13.2690 13.8622 13.8622 13.9140 13.9140 14.4668 14.4668 k = 0.1452 0.1452 0.2026 ( 4614 PWs) bands (ev): -1.7539 -1.7539 -1.1928 -1.1928 0.4206 0.4206 4.3460 4.3460 5.2571 5.2571 6.3885 6.3885 6.5002 6.5002 6.9096 6.9096 6.9790 6.9790 7.0057 7.0057 7.7214 7.7214 7.9375 7.9375 8.3402 8.3402 9.1377 9.1377 9.7967 9.7967 9.8663 9.8663 9.9661 9.9661 10.3155 10.3155 10.4613 10.4613 10.6136 10.6136 10.7333 10.7333 11.1660 11.1660 11.5995 11.5995 11.7128 11.7128 12.5343 12.5343 13.3231 13.3231 13.8583 13.8583 13.8931 13.8931 14.4700 14.4700 k = 0.1371 0.1371 0.2026 ( 4614 PWs) bands (ev): -1.8015 -1.8015 -1.2327 -1.2327 0.4046 0.4046 4.4576 4.4576 5.2130 5.2130 6.4404 6.4404 6.4856 6.4856 6.9813 6.9813 7.0031 7.0031 7.0378 7.0378 7.7064 7.7064 7.9639 7.9639 8.3198 8.3198 9.1167 9.1167 9.7677 9.7677 9.8376 9.8376 9.9883 9.9883 10.3119 10.3119 10.4732 10.4732 10.6304 10.6304 10.7752 10.7752 11.0814 11.0814 11.5965 11.5965 11.7895 11.7895 12.6393 12.6393 13.4010 13.4010 13.8483 13.8483 13.8800 13.8800 14.4686 14.4686 k = 0.1290 0.1290 0.2026 ( 4618 PWs) bands (ev): -1.8464 -1.8464 -1.2707 -1.2707 0.3888 0.3888 4.5708 4.5708 5.1705 5.1705 6.4712 6.4712 6.4910 6.4910 6.9916 6.9916 7.0653 7.0653 7.0948 7.0948 7.6909 7.6909 7.9901 7.9901 8.3006 8.3006 9.0918 9.0918 9.6556 9.6556 9.8763 9.8763 10.0114 10.0114 10.3055 10.3055 10.4851 10.4851 10.6441 10.6441 10.8160 10.8160 11.0124 11.0124 11.5893 11.5893 11.8777 11.8777 12.7185 12.7185 13.5003 13.5003 13.8355 13.8355 13.8718 13.8718 14.4626 14.4626 k = 0.1210 0.1210 0.2026 ( 4610 PWs) bands (ev): -1.8888 -1.8888 -1.3068 -1.3068 0.3735 0.3735 4.6854 4.6854 5.1296 5.1296 6.4590 6.4590 6.5379 6.5379 6.9880 6.9880 7.1408 7.1408 7.1537 7.1537 7.6752 7.6752 8.0160 8.0160 8.2827 8.2827 9.0630 9.0630 9.5324 9.5324 9.9125 9.9125 10.0352 10.0352 10.2968 10.2968 10.4966 10.4966 10.6546 10.6546 10.8554 10.8554 10.9575 10.9575 11.5808 11.5808 11.9741 11.9741 12.7781 12.7781 13.6132 13.6132 13.8242 13.8242 13.8645 13.8645 14.4523 14.4523 k = 0.1129 0.1129 0.2026 ( 4606 PWs) bands (ev): -1.9284 -1.9284 -1.3408 -1.3408 0.3587 0.3587 4.8013 4.8013 5.0908 5.0908 6.4475 6.4475 6.5826 6.5826 6.9841 6.9841 7.2080 7.2080 7.2212 7.2212 7.6599 7.6599 8.0414 8.0414 8.2659 8.2659 9.0305 9.0305 9.4005 9.4005 9.9462 9.9462 10.0594 10.0594 10.2867 10.2867 10.5072 10.5072 10.6615 10.6615 10.8911 10.8911 10.9167 10.9167 11.5717 11.5717 12.0768 12.0768 12.8258 12.8258 13.7282 13.7282 13.8173 13.8173 13.8569 13.8569 14.4379 14.4379 k = 0.1048 0.1048 0.2026 ( 4614 PWs) bands (ev): -1.9654 -1.9654 -1.3727 -1.3727 0.3444 0.3444 4.9181 4.9181 5.0542 5.0542 6.4369 6.4369 6.6249 6.6249 6.9804 6.9804 7.2650 7.2650 7.2975 7.2975 7.6457 7.6457 8.0660 8.0660 8.2505 8.2505 8.9943 8.9943 9.2625 9.2625 9.9769 9.9769 10.0836 10.0836 10.2759 10.2759 10.5167 10.5167 10.6648 10.6648 10.8789 10.8789 10.9318 10.9318 11.5625 11.5625 12.1850 12.1850 12.8679 12.8679 13.8015 13.8015 13.8466 13.8466 13.8521 13.8521 14.4192 14.4192 k = 0.0968 0.0968 0.2026 ( 4606 PWs) bands (ev): -1.9997 -1.9997 -1.4026 -1.4026 0.3308 0.3308 5.0197 5.0197 5.0358 5.0358 6.4273 6.4273 6.6648 6.6648 6.9768 6.9768 7.3177 7.3177 7.3746 7.3746 7.6340 7.6340 8.0898 8.0898 8.2363 8.2363 8.9547 8.9547 9.1207 9.1207 10.0045 10.0045 10.1077 10.1077 10.2653 10.2653 10.5250 10.5250 10.6645 10.6645 10.8547 10.8547 10.9653 10.9653 11.5534 11.5534 12.2975 12.2975 12.9088 12.9088 13.8014 13.8014 13.8436 13.8436 13.9432 13.9432 14.3963 14.3963 k = 0.0887 0.0887 0.2026 ( 4598 PWs) bands (ev): -2.0313 -2.0313 -1.4302 -1.4302 0.3179 0.3179 4.9879 4.9879 5.1535 5.1535 6.4187 6.4187 6.7024 6.7024 6.9735 6.9735 7.3639 7.3639 7.4518 7.4518 7.6273 7.6273 8.1123 8.1123 8.2236 8.2236 8.9115 8.9115 8.9773 8.9773 10.0284 10.0284 10.1312 10.1312 10.2557 10.2557 10.5318 10.5318 10.6606 10.6606 10.8366 10.8366 10.9970 10.9970 11.5445 11.5445 12.4137 12.4137 12.9509 12.9509 13.7960 13.7960 13.8431 13.8431 14.0231 14.0231 14.3689 14.3689 k = 0.0806 0.0806 0.2026 ( 4586 PWs) bands (ev): -2.0602 -2.0602 -1.4556 -1.4556 0.3059 0.3059 4.9585 4.9585 5.2710 5.2710 6.4109 6.4109 6.7379 6.7379 6.9704 6.9704 7.3995 7.3995 7.5289 7.5289 7.6291 7.6291 8.1332 8.1332 8.2125 8.2125 8.8317 8.8317 8.8675 8.8675 10.0480 10.0480 10.1538 10.1538 10.2482 10.2482 10.5372 10.5372 10.6535 10.6535 10.8238 10.8238 11.0264 11.0264 11.5360 11.5360 12.5326 12.5326 12.9956 12.9956 13.7868 13.7868 13.8498 13.8498 14.0835 14.0835 14.3362 14.3362 k = 0.0726 0.0726 0.2026 ( 4590 PWs) bands (ev): -2.0864 -2.0864 -1.4787 -1.4787 0.2948 0.2948 4.9317 4.9317 5.3876 5.3876 6.4040 6.4040 6.7713 6.7713 6.9674 6.9674 7.4205 7.4205 7.6056 7.6056 7.6431 7.6431 8.1514 8.1514 8.2037 8.2037 8.6905 8.6905 8.8177 8.8177 10.0626 10.0626 10.1753 10.1753 10.2441 10.2441 10.5413 10.5413 10.6436 10.6436 10.8153 10.8153 11.0531 11.0531 11.5280 11.5280 12.6534 12.6534 13.0431 13.0431 13.7750 13.7750 13.8631 13.8631 14.1241 14.1241 14.2968 14.2968 k = 0.0645 0.0645 0.2026 ( 4594 PWs) bands (ev): -2.1098 -2.1098 -1.4994 -1.4994 0.2846 0.2846 4.9075 4.9075 5.5025 5.5025 6.3979 6.3979 6.8025 6.8025 6.9645 6.9645 7.4270 7.4270 7.6681 7.6681 7.6826 7.6826 8.1639 8.1639 8.2000 8.2000 8.5519 8.5519 8.7659 8.7659 10.0716 10.0716 10.1952 10.1952 10.2441 10.2441 10.5442 10.5442 10.6314 10.6314 10.8100 10.8100 11.0770 11.0770 11.5207 11.5207 12.7754 12.7754 13.0932 13.0932 13.7621 13.7621 13.8815 13.8815 14.1465 14.1465 14.2487 14.2487 k = 0.0565 0.0565 0.2026 ( 4598 PWs) bands (ev): -2.1305 -2.1305 -1.5179 -1.5179 0.2755 0.2755 4.8861 4.8861 5.6143 5.6143 6.3925 6.3925 6.8315 6.8315 6.9616 6.9616 7.4230 7.4230 7.7011 7.7011 7.7583 7.7583 8.1665 8.1665 8.2056 8.2056 8.4184 8.4184 8.7115 8.7115 10.0754 10.0754 10.2135 10.2135 10.2486 10.2486 10.5462 10.5462 10.6175 10.6175 10.8071 10.8071 11.0981 11.0981 11.5141 11.5141 12.8977 12.8977 13.1451 13.1451 13.7491 13.7491 13.9038 13.9038 14.1534 14.1534 14.1954 14.1954 k = 0.0484 0.0484 0.2026 ( 4596 PWs) bands (ev): -2.1484 -2.1484 -1.5339 -1.5339 0.2675 0.2675 4.8674 4.8674 5.7216 5.7216 6.3880 6.3880 6.8581 6.8581 6.9587 6.9587 7.4132 7.4132 7.7360 7.7360 7.8337 7.8337 8.1625 8.1625 8.2169 8.2169 8.2920 8.2920 8.6548 8.6548 10.0748 10.0748 10.2300 10.2300 10.2565 10.2565 10.5474 10.5474 10.6026 10.6026 10.8059 10.8059 11.1163 11.1163 11.5084 11.5084 13.0193 13.0193 13.1976 13.1976 13.7368 13.7368 13.9286 13.9286 14.1384 14.1384 14.1495 14.1495 k = 0.0403 0.0403 0.2026 ( 4588 PWs) bands (ev): -2.1636 -2.1636 -1.5475 -1.5475 0.2607 0.2607 4.8516 4.8516 5.8223 5.8223 6.3842 6.3842 6.8820 6.8820 6.9560 6.9560 7.4009 7.4009 7.7696 7.7696 7.9083 7.9083 8.1567 8.1567 8.1753 8.1753 8.2288 8.2288 8.5957 8.5957 10.0715 10.0715 10.2444 10.2444 10.2666 10.2666 10.5480 10.5480 10.5875 10.5875 10.8057 10.8057 11.1316 11.1316 11.5036 11.5036 13.1395 13.1395 13.2491 13.2491 13.7257 13.7257 13.9533 13.9533 14.0841 14.0841 14.1273 14.1273 k = 0.0323 0.0323 0.2026 ( 4582 PWs) bands (ev): -2.1761 -2.1761 -1.5586 -1.5586 0.2550 0.2550 4.8386 4.8386 5.9134 5.9134 6.3811 6.3811 6.9027 6.9027 6.9531 6.9531 7.3881 7.3881 7.7996 7.7996 7.9820 7.9820 8.0715 8.0715 8.1514 8.1514 8.2393 8.2393 8.5346 8.5346 10.0670 10.0670 10.2566 10.2566 10.2774 10.2774 10.5481 10.5481 10.5731 10.5731 10.8063 10.8063 11.1440 11.1440 11.4996 11.4996 13.2573 13.2573 13.2975 13.2975 13.7160 13.7160 13.9701 13.9701 14.0288 14.0288 14.0981 14.0981 k = 0.0242 0.0242 0.2026 ( 4586 PWs) bands (ev): -2.1857 -2.1857 -1.5674 -1.5674 0.2506 0.2506 4.8284 4.8284 5.9915 5.9915 6.3787 6.3787 6.9194 6.9194 6.9507 6.9507 7.3766 7.3766 7.8243 7.8243 7.9841 7.9841 8.0544 8.0544 8.1470 8.1470 8.2479 8.2479 8.4715 8.4715 10.0624 10.0624 10.2663 10.2663 10.2876 10.2876 10.5475 10.5475 10.5608 10.5608 10.8070 10.8070 11.1535 11.1535 11.4965 11.4965 13.3401 13.3401 13.3718 13.3718 13.7082 13.7082 13.9374 13.9374 14.0076 14.0076 14.0761 14.0761 k = 0.0161 0.0161 0.2026 ( 4596 PWs) bands (ev): -2.1926 -2.1926 -1.5736 -1.5736 0.2474 0.2474 4.8212 4.8212 6.0522 6.0522 6.3770 6.3770 6.9311 6.9311 6.9492 6.9492 7.3673 7.3673 7.8420 7.8420 7.9181 7.9181 8.1209 8.1209 8.1483 8.1483 8.2543 8.2543 8.4068 8.4068 10.0585 10.0585 10.2732 10.2732 10.2961 10.2961 10.5446 10.5446 10.5532 10.5532 10.8077 10.8077 11.1603 11.1603 11.4944 11.4944 13.3741 13.3741 13.4820 13.4820 13.7024 13.7024 13.8642 13.8642 14.0057 14.0057 14.0663 14.0663 k = 0.0081 0.0081 0.2026 ( 4600 PWs) bands (ev): -2.1968 -2.1968 -1.5773 -1.5773 0.2455 0.2455 4.8168 4.8168 6.0910 6.0910 6.3760 6.3760 6.9368 6.9368 6.9496 6.9496 7.3614 7.3614 7.8498 7.8498 7.8796 7.8796 8.1365 8.1365 8.1995 8.1995 8.2587 8.2587 8.3410 8.3410 10.0560 10.0560 10.2774 10.2774 10.3018 10.3018 10.5399 10.5399 10.5511 10.5511 10.8082 10.8082 11.1643 11.1643 11.4931 11.4931 13.3962 13.3962 13.5869 13.5869 13.6990 13.6990 13.7799 13.7799 14.0002 14.0002 14.0619 14.0619 k = 0.0000 0.0000 0.2026 ( 4598 PWs) bands (ev): -2.1982 -2.1982 -1.5786 -1.5786 0.2448 0.2448 4.8154 4.8154 6.1044 6.1044 6.3756 6.3756 6.9380 6.9380 6.9505 6.9505 7.3593 7.3593 7.8477 7.8477 7.8711 7.8711 8.1365 8.1365 8.2458 8.2458 8.2718 8.2718 8.2834 8.2834 10.0551 10.0551 10.2788 10.2788 10.3038 10.3038 10.5378 10.5378 10.5507 10.5507 10.8085 10.8085 11.1656 11.1656 11.4927 11.4927 13.4039 13.4039 13.6758 13.6758 13.6964 13.6964 13.6991 13.6991 13.9976 13.9976 14.0601 14.0601 k = 0.0000 0.5000-0.0000 ( 4600 PWs) bands (ev): 0.0743 0.0743 0.0743 0.0743 0.4935 0.4935 0.4935 0.4935 5.1333 5.1333 5.1333 5.1333 7.1733 7.1733 7.1733 7.1733 7.3466 7.3466 7.3466 7.3466 8.4061 8.4061 8.4061 8.4061 9.0234 9.0234 9.0234 9.0234 9.6033 9.6033 9.6033 9.6033 9.7796 9.7796 9.7796 9.7796 10.2898 10.2898 10.2898 10.2898 10.7702 10.7702 10.7702 10.7702 11.1461 11.1461 11.1461 11.1461 12.0002 12.0002 12.0002 12.0002 13.8717 13.8717 13.8717 13.8717 14.2643 14.2643 k = 0.0000 0.5000 0.0113 ( 4600 PWs) bands (ev): 0.0747 0.0747 0.0747 0.0747 0.4929 0.4929 0.4929 0.4929 5.1346 5.1346 5.1346 5.1346 7.1734 7.1734 7.1734 7.1734 7.3451 7.3451 7.3451 7.3451 8.4054 8.4054 8.4054 8.4054 9.0234 9.0234 9.0234 9.0234 9.6020 9.6020 9.6020 9.6020 9.7781 9.7781 9.7781 9.7781 10.2884 10.2884 10.2884 10.2884 10.7741 10.7741 10.7741 10.7741 11.1485 11.1485 11.1485 11.1485 12.0031 12.0031 12.0031 12.0031 13.8707 13.8707 13.8707 13.8707 14.2608 14.2608 k = 0.0000 0.5000 0.0225 ( 4596 PWs) bands (ev): 0.0758 0.0758 0.0758 0.0758 0.4913 0.4913 0.4913 0.4913 5.1383 5.1383 5.1383 5.1383 7.1734 7.1734 7.1734 7.1734 7.3406 7.3406 7.3406 7.3406 8.4034 8.4034 8.4034 8.4034 9.0235 9.0235 9.0235 9.0235 9.5982 9.5982 9.5982 9.5982 9.7736 9.7736 9.7736 9.7736 10.2846 10.2846 10.2846 10.2846 10.7857 10.7857 10.7857 10.7857 11.1554 11.1554 11.1554 11.1554 12.0117 12.0117 12.0117 12.0117 13.8677 13.8677 13.8677 13.8677 14.2506 14.2506 k = 0.0000 0.5000 0.0338 ( 4598 PWs) bands (ev): 0.0777 0.0777 0.0777 0.0777 0.4887 0.4887 0.4887 0.4887 5.1445 5.1445 5.1445 5.1445 7.1735 7.1735 7.1735 7.1735 7.3333 7.3333 7.3333 7.3333 8.4002 8.4002 8.4002 8.4002 9.0236 9.0236 9.0236 9.0236 9.5918 9.5918 9.5918 9.5918 9.7668 9.7668 9.7668 9.7668 10.2784 10.2784 10.2784 10.2784 10.8041 10.8041 10.8041 10.8041 11.1665 11.1665 11.1665 11.1665 12.0260 12.0260 12.0260 12.0260 13.8628 13.8628 13.8628 13.8628 14.2339 14.2339 k = 0.0000 0.5000 0.0450 ( 4594 PWs) bands (ev): 0.0804 0.0804 0.0804 0.0804 0.4850 0.4850 0.4850 0.4850 5.1530 5.1530 5.1530 5.1530 7.1736 7.1736 7.1736 7.1736 7.3233 7.3233 7.3233 7.3233 8.3958 8.3958 8.3958 8.3958 9.0238 9.0238 9.0238 9.0238 9.5829 9.5829 9.5829 9.5829 9.7589 9.7589 9.7589 9.7589 10.2702 10.2702 10.2702 10.2702 10.8278 10.8278 10.8278 10.8278 11.1815 11.1815 11.1815 11.1815 12.0459 12.0459 12.0459 12.0459 13.8559 13.8559 13.8559 13.8559 14.2115 14.2115 k = 0.0000 0.5000 0.0563 ( 4600 PWs) bands (ev): 0.0837 0.0837 0.0837 0.0837 0.4804 0.4804 0.4804 0.4804 5.1635 5.1635 5.1635 5.1635 7.1737 7.1737 7.1737 7.1737 7.3107 7.3107 7.3107 7.3107 8.3904 8.3904 8.3904 8.3904 9.0241 9.0241 9.0241 9.0241 9.5718 9.5718 9.5718 9.5718 9.7506 9.7506 9.7506 9.7506 10.2604 10.2604 10.2604 10.2604 10.8554 10.8554 10.8554 10.8554 11.1998 11.1998 11.1998 11.1998 12.0714 12.0714 12.0714 12.0714 13.8471 13.8471 13.8471 13.8471 14.1842 14.1842 k = 0.0000 0.5000 0.0675 ( 4596 PWs) bands (ev): 0.0876 0.0876 0.0876 0.0876 0.4751 0.4751 0.4751 0.4751 5.1759 5.1759 5.1759 5.1759 7.1738 7.1738 7.1738 7.1738 7.2959 7.2959 7.2959 7.2959 8.3843 8.3843 8.3843 8.3843 9.0243 9.0243 9.0243 9.0243 9.5589 9.5589 9.5589 9.5589 9.7426 9.7426 9.7426 9.7426 10.2494 10.2494 10.2494 10.2494 10.8854 10.8854 10.8854 10.8854 11.2208 11.2208 11.2208 11.2208 12.1022 12.1022 12.1022 12.1022 13.8365 13.8365 13.8365 13.8365 14.1530 14.1530 k = 0.0000 0.5000 0.0788 ( 4604 PWs) bands (ev): 0.0921 0.0921 0.0921 0.0921 0.4690 0.4690 0.4690 0.4690 5.1898 5.1898 5.1898 5.1898 7.1738 7.1738 7.1738 7.1738 7.2793 7.2793 7.2793 7.2793 8.3775 8.3775 8.3775 8.3775 9.0246 9.0246 9.0246 9.0246 9.5447 9.5447 9.5447 9.5447 9.7354 9.7354 9.7354 9.7354 10.2376 10.2376 10.2376 10.2376 10.9162 10.9162 10.9162 10.9162 11.2437 11.2437 11.2437 11.2437 12.1378 12.1378 12.1378 12.1378 13.8241 13.8241 13.8241 13.8241 14.1190 14.1190 k = 0.0000 0.5000 0.0900 ( 4606 PWs) bands (ev): 0.0971 0.0971 0.0971 0.0971 0.4624 0.4624 0.4624 0.4624 5.2048 5.2048 5.2048 5.2048 7.1738 7.1738 7.1738 7.1738 7.2612 7.2612 7.2612 7.2612 8.3703 8.3703 8.3703 8.3703 9.0250 9.0250 9.0250 9.0250 9.5300 9.5300 9.5300 9.5300 9.7291 9.7291 9.7291 9.7291 10.2255 10.2255 10.2255 10.2255 10.9467 10.9467 10.9467 10.9467 11.2679 11.2679 11.2679 11.2679 12.1778 12.1778 12.1778 12.1778 13.8099 13.8099 13.8099 13.8099 14.0833 14.0833 k = 0.0000 0.5000 0.1013 ( 4610 PWs) bands (ev): 0.1023 0.1023 0.1023 0.1023 0.4553 0.4553 0.4553 0.4553 5.2206 5.2206 5.2206 5.2206 7.1737 7.1737 7.1737 7.1737 7.2423 7.2423 7.2423 7.2423 8.3629 8.3629 8.3629 8.3629 9.0254 9.0254 9.0254 9.0254 9.5154 9.5154 9.5154 9.5154 9.7238 9.7238 9.7238 9.7238 10.2135 10.2135 10.2135 10.2135 10.9759 10.9759 10.9759 10.9759 11.2927 11.2927 11.2927 11.2927 12.2213 12.2213 12.2213 12.2213 13.7943 13.7943 13.7943 13.7943 14.0470 14.0470 k = 0.0000 0.5000 0.1125 ( 4616 PWs) bands (ev): 0.1078 0.1078 0.1078 0.1078 0.4481 0.4481 0.4481 0.4481 5.2367 5.2367 5.2367 5.2367 7.1732 7.1732 7.1732 7.1732 7.2233 7.2233 7.2233 7.2233 8.3556 8.3556 8.3556 8.3556 9.0257 9.0257 9.0257 9.0257 9.5015 9.5015 9.5015 9.5015 9.7193 9.7193 9.7193 9.7193 10.2018 10.2018 10.2018 10.2018 11.0030 11.0030 11.0030 11.0030 11.3173 11.3173 11.3173 11.3173 12.2672 12.2672 12.2672 12.2672 13.7774 13.7774 13.7774 13.7774 14.0111 14.0111 k = 0.0000 0.5000 0.1238 ( 4600 PWs) bands (ev): 0.1134 0.1134 0.1134 0.1134 0.4409 0.4409 0.4409 0.4409 5.2526 5.2526 5.2526 5.2526 7.1720 7.1720 7.1720 7.1720 7.2053 7.2053 7.2053 7.2053 8.3487 8.3487 8.3487 8.3487 9.0261 9.0261 9.0261 9.0261 9.4887 9.4887 9.4887 9.4887 9.7155 9.7155 9.7155 9.7155 10.1909 10.1909 10.1909 10.1909 11.0275 11.0275 11.0275 11.0275 11.3410 11.3410 11.3410 11.3410 12.3143 12.3143 12.3143 12.3143 13.7595 13.7595 13.7595 13.7595 13.9767 13.9767 k = 0.0000 0.5000 0.1350 ( 4592 PWs) bands (ev): 0.1188 0.1188 0.1188 0.1188 0.4339 0.4339 0.4339 0.4339 5.2678 5.2678 5.2678 5.2678 7.1682 7.1682 7.1682 7.1682 7.1906 7.1906 7.1906 7.1906 8.3422 8.3422 8.3422 8.3422 9.0265 9.0265 9.0265 9.0265 9.4773 9.4773 9.4773 9.4773 9.7125 9.7125 9.7125 9.7125 10.1810 10.1810 10.1810 10.1810 11.0490 11.0490 11.0490 11.0490 11.3633 11.3633 11.3633 11.3633 12.3610 12.3610 12.3610 12.3610 13.7412 13.7412 13.7412 13.7412 13.9447 13.9447 k = 0.0000 0.5000 0.1463 ( 4592 PWs) bands (ev): 0.1239 0.1239 0.1239 0.1239 0.4274 0.4274 0.4274 0.4274 5.2818 5.2818 5.2818 5.2818 7.1589 7.1589 7.1589 7.1589 7.1828 7.1828 7.1828 7.1828 8.3364 8.3364 8.3364 8.3364 9.0268 9.0268 9.0268 9.0268 9.4674 9.4674 9.4674 9.4674 9.7099 9.7099 9.7099 9.7099 10.1722 10.1722 10.1722 10.1722 11.0673 11.0673 11.0673 11.0673 11.3833 11.3833 11.3833 11.3833 12.4055 12.4055 12.4055 12.4055 13.7231 13.7231 13.7231 13.7231 13.9160 13.9160 k = 0.0000 0.5000 0.1575 ( 4604 PWs) bands (ev): 0.1285 0.1285 0.1285 0.1285 0.4216 0.4216 0.4216 0.4216 5.2941 5.2941 5.2941 5.2941 7.1464 7.1464 7.1464 7.1464 7.1803 7.1803 7.1803 7.1803 8.3314 8.3314 8.3314 8.3314 9.0270 9.0270 9.0270 9.0270 9.4593 9.4593 9.4593 9.4593 9.7079 9.7079 9.7079 9.7079 10.1648 10.1648 10.1648 10.1648 11.0823 11.0823 11.0823 11.0823 11.4007 11.4007 11.4007 11.4007 12.4459 12.4459 12.4459 12.4459 13.7060 13.7060 13.7060 13.7060 13.8914 13.8914 k = 0.0000 0.5000 0.1688 ( 4596 PWs) bands (ev): 0.1323 0.1323 0.1323 0.1323 0.4167 0.4167 0.4167 0.4167 5.3042 5.3042 5.3042 5.3042 7.1350 7.1350 7.1350 7.1350 7.1794 7.1794 7.1794 7.1794 8.3275 8.3275 8.3275 8.3275 9.0273 9.0273 9.0273 9.0273 9.4529 9.4529 9.4529 9.4529 9.7064 9.7064 9.7064 9.7064 10.1589 10.1589 10.1589 10.1589 11.0940 11.0940 11.0940 11.0940 11.4148 11.4148 11.4148 11.4148 12.4802 12.4802 12.4802 12.4802 13.6911 13.6911 13.6911 13.6911 13.8715 13.8715 k = 0.0000 0.5000 0.1801 ( 4612 PWs) bands (ev): 0.1353 0.1353 0.1353 0.1353 0.4131 0.4131 0.4131 0.4131 5.3117 5.3117 5.3117 5.3117 7.1261 7.1261 7.1261 7.1261 7.1790 7.1790 7.1790 7.1790 8.3246 8.3246 8.3246 8.3246 9.0274 9.0274 9.0274 9.0274 9.4483 9.4483 9.4483 9.4483 9.7053 9.7053 9.7053 9.7053 10.1547 10.1547 10.1547 10.1547 11.1023 11.1023 11.1023 11.1023 11.4251 11.4251 11.4251 11.4251 12.5063 12.5063 12.5063 12.5063 13.6793 13.6793 13.6793 13.6793 13.8568 13.8568 k = 0.0000 0.5000 0.1913 ( 4628 PWs) bands (ev): 0.1371 0.1371 0.1371 0.1371 0.4108 0.4108 0.4108 0.4108 5.3164 5.3164 5.3164 5.3164 7.1206 7.1206 7.1206 7.1206 7.1788 7.1788 7.1788 7.1788 8.3228 8.3228 8.3228 8.3228 9.0275 9.0275 9.0275 9.0275 9.4456 9.4456 9.4456 9.4456 9.7046 9.7046 9.7046 9.7046 10.1520 10.1520 10.1520 10.1520 11.1073 11.1073 11.1073 11.1073 11.4315 11.4315 11.4315 11.4315 12.5228 12.5228 12.5228 12.5228 13.6718 13.6718 13.6718 13.6718 13.8479 13.8479 k = 0.0000 0.5000 0.2026 ( 4620 PWs) bands (ev): 0.1377 0.1377 0.1377 0.1377 0.4100 0.4100 0.4100 0.4100 5.3179 5.3179 5.3179 5.3179 7.1187 7.1187 7.1187 7.1187 7.1788 7.1788 7.1788 7.1788 8.3222 8.3222 8.3222 8.3222 9.0276 9.0276 9.0276 9.0276 9.4447 9.4447 9.4447 9.4447 9.7044 9.7044 9.7044 9.7044 10.1512 10.1512 10.1512 10.1512 11.1090 11.1090 11.1090 11.1090 11.4336 11.4336 11.4336 11.4336 12.5284 12.5284 12.5284 12.5284 13.6692 13.6692 13.6692 13.6692 13.8449 13.8449 k = 0.5000 0.5000-0.0000 ( 4564 PWs) bands (ev): 0.5645 0.5645 0.5645 0.5645 1.7936 1.7936 1.7936 1.7936 4.8704 4.8704 4.8704 4.8704 4.9272 4.9272 4.9272 4.9272 7.3849 7.3849 7.3849 7.3849 7.7751 7.7751 7.7751 7.7751 8.6258 8.6258 8.6258 8.6258 8.8530 8.8530 8.8530 8.8530 8.8727 8.8727 8.8727 8.8727 9.9412 9.9412 9.9412 9.9412 10.1766 10.1766 10.1766 10.1766 11.7902 11.7902 11.7902 11.7902 14.1781 14.1781 14.1781 14.1781 14.5316 14.5316 14.5317 14.5317 15.4606 15.4606 k = 0.5000 0.5000 0.0113 ( 4556 PWs) bands (ev): 0.5645 0.5645 0.5645 0.5645 1.7936 1.7936 1.7936 1.7936 4.8703 4.8703 4.8703 4.8703 4.9268 4.9268 4.9268 4.9268 7.3850 7.3850 7.3850 7.3850 7.7770 7.7770 7.7770 7.7770 8.6249 8.6249 8.6249 8.6249 8.8510 8.8510 8.8510 8.8510 8.8751 8.8751 8.8751 8.8751 9.9408 9.9408 9.9408 9.9408 10.1766 10.1766 10.1766 10.1766 11.7902 11.7902 11.7902 11.7902 14.1786 14.1786 14.1786 14.1786 14.5239 14.5239 14.5239 14.5239 15.4606 15.4606 k = 0.5000 0.5000 0.0225 ( 4556 PWs) bands (ev): 0.5646 0.5646 0.5646 0.5646 1.7936 1.7936 1.7936 1.7936 4.8701 4.8701 4.8701 4.8701 4.9254 4.9254 4.9254 4.9254 7.3850 7.3850 7.3850 7.3850 7.7826 7.7826 7.7826 7.7826 8.6224 8.6224 8.6224 8.6224 8.8466 8.8466 8.8466 8.8466 8.8806 8.8806 8.8806 8.8806 9.9394 9.9394 9.9394 9.9394 10.1766 10.1766 10.1766 10.1766 11.7902 11.7902 11.7902 11.7902 14.1802 14.1802 14.1802 14.1802 14.5012 14.5012 14.5012 14.5012 15.4607 15.4607 k = 0.5000 0.5000 0.0338 ( 4556 PWs) bands (ev): 0.5647 0.5647 0.5647 0.5647 1.7937 1.7937 1.7937 1.7937 4.8697 4.8697 4.8697 4.8697 4.9231 4.9231 4.9231 4.9231 7.3850 7.3850 7.3850 7.3850 7.7919 7.7919 7.7919 7.7919 8.6182 8.6182 8.6182 8.6182 8.8416 8.8416 8.8416 8.8416 8.8874 8.8874 8.8874 8.8874 9.9371 9.9371 9.9371 9.9371 10.1765 10.1765 10.1765 10.1765 11.7902 11.7902 11.7902 11.7902 14.1826 14.1826 14.1826 14.1826 14.4656 14.4656 14.4656 14.4656 15.4608 15.4608 k = 0.5000 0.5000 0.0450 ( 4560 PWs) bands (ev): 0.5649 0.5649 0.5649 0.5649 1.7938 1.7938 1.7938 1.7938 4.8692 4.8692 4.8692 4.8692 4.9201 4.9201 4.9201 4.9201 7.3851 7.3851 7.3851 7.3851 7.8045 7.8045 7.8045 7.8045 8.6123 8.6123 8.6123 8.6123 8.8367 8.8367 8.8367 8.8367 8.8949 8.8949 8.8949 8.8949 9.9341 9.9341 9.9341 9.9341 10.1764 10.1764 10.1764 10.1764 11.7902 11.7902 11.7902 11.7902 14.1854 14.1854 14.1854 14.1854 14.4199 14.4199 14.4199 14.4199 15.4609 15.4609 k = 0.5000 0.5000 0.0563 ( 4568 PWs) bands (ev): 0.5651 0.5651 0.5651 0.5651 1.7939 1.7939 1.7939 1.7939 4.8686 4.8686 4.8686 4.8686 4.9164 4.9164 4.9164 4.9164 7.3851 7.3851 7.3851 7.3851 7.8204 7.8204 7.8204 7.8204 8.6048 8.6048 8.6048 8.6048 8.8319 8.8319 8.8319 8.8319 8.9028 8.9028 8.9028 8.9028 9.9303 9.9303 9.9303 9.9303 10.1763 10.1763 10.1763 10.1763 11.7903 11.7903 11.7903 11.7903 14.1879 14.1879 14.1879 14.1879 14.3677 14.3678 14.3678 14.3678 15.4610 15.4610 k = 0.5000 0.5000 0.0675 ( 4560 PWs) bands (ev): 0.5653 0.5653 0.5653 0.5653 1.7940 1.7940 1.7940 1.7940 4.8679 4.8679 4.8679 4.8679 4.9122 4.9122 4.9122 4.9122 7.3852 7.3852 7.3852 7.3852 7.8393 7.8393 7.8393 7.8393 8.5957 8.5957 8.5957 8.5957 8.8275 8.8275 8.8275 8.8275 8.9109 8.9109 8.9109 8.9109 9.9259 9.9259 9.9259 9.9259 10.1762 10.1762 10.1762 10.1762 11.7903 11.7903 11.7903 11.7903 14.1879 14.1879 14.1879 14.1879 14.3140 14.3140 14.3140 14.3140 15.4611 15.4611 k = 0.5000 0.5000 0.0788 ( 4552 PWs) bands (ev): 0.5656 0.5656 0.5656 0.5656 1.7941 1.7941 1.7941 1.7941 4.8671 4.8671 4.8671 4.8671 4.9075 4.9075 4.9075 4.9075 7.3853 7.3853 7.3853 7.3853 7.8607 7.8607 7.8607 7.8607 8.5850 8.5850 8.5850 8.5850 8.8235 8.8235 8.8235 8.8235 8.9191 8.9191 8.9191 8.9191 9.9210 9.9210 9.9210 9.9210 10.1761 10.1761 10.1761 10.1761 11.7903 11.7903 11.7903 11.7903 14.1780 14.1780 14.1780 14.1780 14.2682 14.2682 14.2682 14.2682 15.4612 15.4612 k = 0.5000 0.5000 0.0900 ( 4576 PWs) bands (ev): 0.5659 0.5659 0.5659 0.5659 1.7942 1.7942 1.7942 1.7942 4.8661 4.8661 4.8661 4.8661 4.9026 4.9026 4.9026 4.9026 7.3854 7.3854 7.3854 7.3854 7.8843 7.8843 7.8843 7.8843 8.5728 8.5728 8.5728 8.5728 8.8198 8.8198 8.8198 8.8198 8.9272 8.9272 8.9272 8.9272 9.9156 9.9156 9.9156 9.9156 10.1759 10.1759 10.1759 10.1759 11.7903 11.7903 11.7903 11.7903 14.1449 14.1449 14.1449 14.1449 14.2458 14.2458 14.2458 14.2458 15.4614 15.4614 k = 0.5000 0.5000 0.1013 ( 4596 PWs) bands (ev): 0.5661 0.5661 0.5661 0.5661 1.7944 1.7944 1.7944 1.7944 4.8651 4.8651 4.8651 4.8651 4.8977 4.8977 4.8977 4.8977 7.3855 7.3855 7.3855 7.3855 7.9096 7.9096 7.9096 7.9096 8.5593 8.5593 8.5593 8.5593 8.8165 8.8165 8.8165 8.8165 8.9351 8.9351 8.9351 8.9351 9.9101 9.9101 9.9101 9.9101 10.1757 10.1757 10.1757 10.1757 11.7903 11.7903 11.7903 11.7903 14.0945 14.0945 14.0945 14.0945 14.2425 14.2425 14.2425 14.2425 15.4615 15.4615 k = 0.5000 0.5000 0.1125 ( 4588 PWs) bands (ev): 0.5664 0.5664 0.5664 0.5664 1.7945 1.7945 1.7945 1.7945 4.8640 4.8640 4.8640 4.8640 4.8929 4.8929 4.8929 4.8929 7.3856 7.3856 7.3856 7.3856 7.9361 7.9361 7.9361 7.9361 8.5446 8.5446 8.5446 8.5446 8.8136 8.8136 8.8136 8.8136 8.9427 8.9427 8.9427 8.9427 9.9045 9.9045 9.9045 9.9045 10.1756 10.1756 10.1756 10.1756 11.7903 11.7903 11.7903 11.7903 14.0405 14.0405 14.0405 14.0405 14.2458 14.2458 14.2458 14.2458 15.4616 15.4616 k = 0.5000 0.5000 0.1238 ( 4608 PWs) bands (ev): 0.5667 0.5667 0.5667 0.5667 1.7946 1.7946 1.7946 1.7946 4.8628 4.8628 4.8628 4.8628 4.8884 4.8884 4.8884 4.8884 7.3857 7.3857 7.3857 7.3857 7.9631 7.9631 7.9631 7.9631 8.5289 8.5289 8.5289 8.5289 8.8110 8.8110 8.8110 8.8110 8.9498 8.9498 8.9498 8.9498 9.8990 9.8990 9.8990 9.8990 10.1754 10.1754 10.1754 10.1754 11.7902 11.7902 11.7902 11.7902 13.9885 13.9885 13.9885 13.9885 14.2511 14.2511 14.2511 14.2511 15.4617 15.4617 k = 0.5000 0.5000 0.1350 ( 4600 PWs) bands (ev): 0.5670 0.5670 0.5670 0.5670 1.7947 1.7947 1.7947 1.7947 4.8615 4.8615 4.8615 4.8615 4.8844 4.8844 4.8844 4.8844 7.3858 7.3858 7.3858 7.3858 7.9900 7.9900 7.9900 7.9900 8.5127 8.5127 8.5127 8.5127 8.8088 8.8088 8.8088 8.8088 8.9563 8.9563 8.9563 8.9563 9.8939 9.8939 9.8939 9.8939 10.1753 10.1753 10.1753 10.1753 11.7903 11.7903 11.7903 11.7903 13.9408 13.9408 13.9408 13.9408 14.2570 14.2570 14.2570 14.2570 15.4618 15.4618 k = 0.5000 0.5000 0.1463 ( 4596 PWs) bands (ev): 0.5672 0.5672 0.5672 0.5672 1.7948 1.7948 1.7948 1.7948 4.8602 4.8602 4.8602 4.8602 4.8809 4.8809 4.8809 4.8809 7.3859 7.3859 7.3859 7.3859 8.0160 8.0160 8.0160 8.0160 8.4965 8.4965 8.4965 8.4965 8.8070 8.8070 8.8070 8.8070 8.9622 8.9622 8.9622 8.9622 9.8892 9.8892 9.8892 9.8892 10.1752 10.1752 10.1752 10.1752 11.7903 11.7903 11.7903 11.7903 13.8989 13.8989 13.8989 13.8989 14.2627 14.2627 14.2627 14.2627 15.4618 15.4618 k = 0.5000 0.5000 0.1575 ( 4596 PWs) bands (ev): 0.5674 0.5674 0.5674 0.5674 1.7949 1.7949 1.7949 1.7949 4.8588 4.8588 4.8588 4.8588 4.8781 4.8781 4.8781 4.8781 7.3859 7.3859 7.3859 7.3859 8.0399 8.0399 8.0399 8.0399 8.4809 8.4809 8.4809 8.4809 8.8055 8.8055 8.8055 8.8055 8.9671 8.9671 8.9671 8.9671 9.8850 9.8850 9.8850 9.8850 10.1751 10.1751 10.1751 10.1751 11.7903 11.7903 11.7903 11.7903 13.8636 13.8636 13.8636 13.8636 14.2678 14.2678 14.2678 14.2678 15.4619 15.4619 k = 0.5000 0.5000 0.1688 ( 4584 PWs) bands (ev): 0.5676 0.5676 0.5676 0.5676 1.7950 1.7950 1.7950 1.7950 4.8576 4.8576 4.8576 4.8576 4.8761 4.8761 4.8761 4.8761 7.3860 7.3860 7.3860 7.3860 8.0607 8.0607 8.0607 8.0607 8.4669 8.4669 8.4669 8.4669 8.8044 8.8044 8.8044 8.8044 8.9711 8.9711 8.9711 8.9711 9.8817 9.8817 9.8817 9.8817 10.1751 10.1751 10.1751 10.1751 11.7903 11.7903 11.7903 11.7903 13.8355 13.8355 13.8355 13.8355 14.2721 14.2721 14.2721 14.2721 15.4619 15.4619 k = 0.5000 0.5000 0.1801 ( 4584 PWs) bands (ev): 0.5677 0.5677 0.5677 0.5677 1.7951 1.7951 1.7951 1.7951 4.8566 4.8566 4.8566 4.8566 4.8746 4.8746 4.8746 4.8746 7.3860 7.3860 7.3860 7.3860 8.0771 8.0771 8.0771 8.0771 8.4556 8.4556 8.4556 8.4556 8.8036 8.8036 8.8036 8.8036 8.9740 8.9740 8.9740 8.9740 9.8792 9.8792 9.8792 9.8792 10.1750 10.1750 10.1750 10.1750 11.7903 11.7903 11.7903 11.7903 13.8151 13.8151 13.8151 13.8151 14.2753 14.2753 14.2753 14.2753 15.4620 15.4620 k = 0.5000 0.5000 0.1913 ( 4584 PWs) bands (ev): 0.5678 0.5678 0.5678 0.5678 1.7951 1.7951 1.7951 1.7951 4.8559 4.8559 4.8559 4.8559 4.8738 4.8738 4.8738 4.8738 7.3861 7.3861 7.3861 7.3861 8.0876 8.0876 8.0876 8.0876 8.4481 8.4481 8.4481 8.4481 8.8031 8.8031 8.8031 8.8031 8.9758 8.9758 8.9758 8.9758 9.8777 9.8777 9.8777 9.8777 10.1750 10.1750 10.1750 10.1750 11.7903 11.7903 11.7903 11.7903 13.8027 13.8027 13.8027 13.8027 14.2772 14.2772 14.2772 14.2772 15.4620 15.4620 k = 0.5000 0.5000 0.2026 ( 4608 PWs) bands (ev): 0.5678 0.5678 0.5678 0.5678 1.7951 1.7951 1.7951 1.7951 4.8557 4.8557 4.8557 4.8557 4.8735 4.8735 4.8735 4.8735 7.3861 7.3861 7.3861 7.3861 8.0912 8.0912 8.0912 8.0912 8.4455 8.4455 8.4455 8.4455 8.8030 8.8030 8.8030 8.8030 8.9764 8.9764 8.9764 8.9764 9.8771 9.8771 9.8771 9.8771 10.1748 10.1748 10.1748 10.1748 11.7903 11.7903 11.7903 11.7903 13.7985 13.7985 13.7985 13.7985 14.2779 14.2779 14.2779 14.2779 15.4620 15.4620 Writing output data file ZrNiP2.save init_run : 0.23s CPU 0.35s WALL ( 1 calls) electrons : 271.02s CPU 275.00s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 271.01s CPU 274.99s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.08s CPU 0.10s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.08s CPU 0.10s WALL ( 363 calls) cegterg : 248.18s CPU 251.35s WALL ( 713 calls) Called by sum_band: Called by *egterg: h_psi : 128.48s CPU 130.88s WALL ( 11120 calls) s_psi : 14.66s CPU 14.83s WALL ( 11120 calls) g_psi : 0.40s CPU 0.43s WALL ( 10044 calls) cdiaghg : 89.85s CPU 90.81s WALL ( 10407 calls) cegterg:over : 12.14s CPU 12.01s WALL ( 10044 calls) cegterg:upda : 10.08s CPU 10.23s WALL ( 10044 calls) cegterg:last : 5.68s CPU 5.68s WALL ( 1804 calls) cdiaghg:chol : 4.97s CPU 5.19s WALL ( 10407 calls) cdiaghg:inve : 3.49s CPU 3.65s WALL ( 10407 calls) cdiaghg:para : 5.64s CPU 5.78s WALL ( 20814 calls) Called by h_psi: h_psi:vloc : 94.14s CPU 96.27s WALL ( 11120 calls) h_psi:vnl : 33.90s CPU 34.18s WALL ( 11120 calls) add_vuspsi : 18.70s CPU 18.59s WALL ( 11120 calls) General routines calbec : 15.17s CPU 15.56s WALL ( 11120 calls) fft : 0.01s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 87.82s CPU 89.87s WALL ( 1359428 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.21s CPU 0.27s WALL ( 726 calls) Parallel routines fft_scatter : 38.71s CPU 39.78s WALL ( 1359451 calls) PWSCF : 4m51.17s CPU 5m12.28s WALL This run was terminated on: 21: 1: 9 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=