Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 13: 7: 4 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Fe2As.save/ file Fe.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 18 5 910 608 101 Max 25 19 6 917 629 108 Sum 885 681 213 32859 22305 3767 bravais-lattice index = 14 lattice parameter (alat) = 6.8540 a.u. unit-cell volume = 530.2542 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 42.00 number of Kohn-Sham states= 50 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 238.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.854036 celldm(2)= 1.000000 celldm(3)= 1.646816 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.646816 ) 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 0.607233 ) PseudoPot. # 1 for As read from file: /users/gautes/Pseudo/As.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 91883ac77fc8b4c49e33555c42516b17 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 1209 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Fe read from file: /users/gautes/Pseudo/Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1f786298b0c3f78d6037ec413201e537 Pseudo is Ultrasoft + core correction, Zval = 8.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1191 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 As 5.00 74.92160 As( 1.00) Fe 8.00 55.84500 Fe( 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= 390 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025641 k( 2) = ( 0.0000000 0.0113636 -0.0000000), wk = 0.0025641 k( 3) = ( 0.0000000 0.0227273 -0.0000000), wk = 0.0025641 k( 4) = ( 0.0000000 0.0340909 -0.0000000), wk = 0.0025641 k( 5) = ( 0.0000000 0.0454546 -0.0000000), wk = 0.0025641 k( 6) = ( 0.0000000 0.0568182 -0.0000000), wk = 0.0025641 k( 7) = ( 0.0000000 0.0681818 -0.0000000), wk = 0.0025641 k( 8) = ( 0.0000000 0.0795455 -0.0000000), wk = 0.0025641 k( 9) = ( 0.0000000 0.0909091 -0.0000000), wk = 0.0025641 k( 10) = ( 0.0000000 0.1022727 -0.0000000), wk = 0.0025641 k( 11) = ( 0.0000000 0.1136364 -0.0000000), wk = 0.0025641 k( 12) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0025641 k( 13) = ( 0.0000000 0.1363636 -0.0000000), wk = 0.0025641 k( 14) = ( 0.0000000 0.1477273 -0.0000000), wk = 0.0025641 k( 15) = ( 0.0000000 0.1590909 -0.0000000), wk = 0.0025641 k( 16) = ( 0.0000000 0.1704546 -0.0000000), wk = 0.0025641 k( 17) = ( 0.0000000 0.1818182 -0.0000000), wk = 0.0025641 k( 18) = ( 0.0000000 0.1931818 -0.0000000), wk = 0.0025641 k( 19) = ( 0.0000000 0.2045454 -0.0000000), wk = 0.0025641 k( 20) = ( 0.0000000 0.2159091 -0.0000000), wk = 0.0025641 k( 21) = ( 0.0000000 0.2272727 -0.0000000), wk = 0.0025641 k( 22) = ( 0.0000000 0.2386364 -0.0000000), wk = 0.0025641 k( 23) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0025641 k( 24) = ( 0.0000000 0.2613636 -0.0000000), wk = 0.0025641 k( 25) = ( 0.0000000 0.2727273 -0.0000000), wk = 0.0025641 k( 26) = ( 0.0000000 0.2840909 -0.0000000), wk = 0.0025641 k( 27) = ( 0.0000000 0.2954545 -0.0000000), wk = 0.0025641 k( 28) = ( 0.0000000 0.3068182 -0.0000000), wk = 0.0025641 k( 29) = ( 0.0000000 0.3181818 -0.0000000), wk = 0.0025641 k( 30) = ( 0.0000000 0.3295455 -0.0000000), wk = 0.0025641 k( 31) = ( 0.0000000 0.3409091 -0.0000000), wk = 0.0025641 k( 32) = ( 0.0000000 0.3522727 -0.0000000), wk = 0.0025641 k( 33) = ( 0.0000000 0.3636364 -0.0000000), wk = 0.0025641 k( 34) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0025641 k( 35) = ( 0.0000000 0.3863636 -0.0000000), wk = 0.0025641 k( 36) = ( 0.0000000 0.3977273 -0.0000000), wk = 0.0025641 k( 37) = ( 0.0000000 0.4090909 -0.0000000), wk = 0.0025641 k( 38) = ( 0.0000000 0.4204545 -0.0000000), wk = 0.0025641 k( 39) = ( 0.0000000 0.4318182 -0.0000000), wk = 0.0025641 k( 40) = ( 0.0000000 0.4431818 -0.0000000), wk = 0.0025641 k( 41) = ( 0.0000000 0.4545455 -0.0000000), wk = 0.0025641 k( 42) = ( 0.0000000 0.4659091 -0.0000000), wk = 0.0025641 k( 43) = ( 0.0000000 0.4772727 -0.0000000), wk = 0.0025641 k( 44) = ( 0.0000000 0.4886364 -0.0000000), wk = 0.0025641 k( 45) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025641 k( 46) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025641 k( 47) = ( 0.0113636 0.5000000 -0.0000000), wk = 0.0025641 k( 48) = ( 0.0227273 0.5000000 -0.0000000), wk = 0.0025641 k( 49) = ( 0.0340909 0.5000000 -0.0000000), wk = 0.0025641 k( 50) = ( 0.0454546 0.5000000 -0.0000000), wk = 0.0025641 k( 51) = ( 0.0568182 0.5000000 -0.0000000), wk = 0.0025641 k( 52) = ( 0.0681818 0.5000000 -0.0000000), wk = 0.0025641 k( 53) = ( 0.0795455 0.5000000 -0.0000000), wk = 0.0025641 k( 54) = ( 0.0909091 0.5000000 -0.0000000), wk = 0.0025641 k( 55) = ( 0.1022727 0.5000000 -0.0000000), wk = 0.0025641 k( 56) = ( 0.1136364 0.5000000 -0.0000000), wk = 0.0025641 k( 57) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0025641 k( 58) = ( 0.1363636 0.5000000 -0.0000000), wk = 0.0025641 k( 59) = ( 0.1477273 0.5000000 -0.0000000), wk = 0.0025641 k( 60) = ( 0.1590909 0.5000000 -0.0000000), wk = 0.0025641 k( 61) = ( 0.1704546 0.5000000 -0.0000000), wk = 0.0025641 k( 62) = ( 0.1818182 0.5000000 -0.0000000), wk = 0.0025641 k( 63) = ( 0.1931818 0.5000000 -0.0000000), wk = 0.0025641 k( 64) = ( 0.2045454 0.5000000 -0.0000000), wk = 0.0025641 k( 65) = ( 0.2159091 0.5000000 -0.0000000), wk = 0.0025641 k( 66) = ( 0.2272727 0.5000000 -0.0000000), wk = 0.0025641 k( 67) = ( 0.2386364 0.5000000 -0.0000000), wk = 0.0025641 k( 68) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0025641 k( 69) = ( 0.2613636 0.5000000 -0.0000000), wk = 0.0025641 k( 70) = ( 0.2727273 0.5000000 -0.0000000), wk = 0.0025641 k( 71) = ( 0.2840909 0.5000000 -0.0000000), wk = 0.0025641 k( 72) = ( 0.2954545 0.5000000 -0.0000000), wk = 0.0025641 k( 73) = ( 0.3068182 0.5000000 -0.0000000), wk = 0.0025641 k( 74) = ( 0.3181818 0.5000000 -0.0000000), wk = 0.0025641 k( 75) = ( 0.3295455 0.5000000 -0.0000000), wk = 0.0025641 k( 76) = ( 0.3409091 0.5000000 -0.0000000), wk = 0.0025641 k( 77) = ( 0.3522727 0.5000000 -0.0000000), wk = 0.0025641 k( 78) = ( 0.3636364 0.5000000 -0.0000000), wk = 0.0025641 k( 79) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0025641 k( 80) = ( 0.3863636 0.5000000 -0.0000000), wk = 0.0025641 k( 81) = ( 0.3977273 0.5000000 -0.0000000), wk = 0.0025641 k( 82) = ( 0.4090909 0.5000000 -0.0000000), wk = 0.0025641 k( 83) = ( 0.4204545 0.5000000 -0.0000000), wk = 0.0025641 k( 84) = ( 0.4318182 0.5000000 -0.0000000), wk = 0.0025641 k( 85) = ( 0.4431818 0.5000000 -0.0000000), wk = 0.0025641 k( 86) = ( 0.4545455 0.5000000 -0.0000000), wk = 0.0025641 k( 87) = ( 0.4659091 0.5000000 -0.0000000), wk = 0.0025641 k( 88) = ( 0.4772727 0.5000000 -0.0000000), wk = 0.0025641 k( 89) = ( 0.4886364 0.5000000 -0.0000000), wk = 0.0025641 k( 90) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0025641 k( 91) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0025641 k( 92) = ( 0.4919355 0.4919355 -0.0000000), wk = 0.0025641 k( 93) = ( 0.4838710 0.4838710 -0.0000000), wk = 0.0025641 k( 94) = ( 0.4758064 0.4758064 -0.0000000), wk = 0.0025641 k( 95) = ( 0.4677419 0.4677419 -0.0000000), wk = 0.0025641 k( 96) = ( 0.4596774 0.4596774 -0.0000000), wk = 0.0025641 k( 97) = ( 0.4516129 0.4516129 -0.0000000), wk = 0.0025641 k( 98) = ( 0.4435484 0.4435484 -0.0000000), wk = 0.0025641 k( 99) = ( 0.4354839 0.4354839 -0.0000000), wk = 0.0025641 k( 100) = ( 0.4274193 0.4274193 -0.0000000), wk = 0.0025641 k( 101) = ( 0.4193548 0.4193548 -0.0000000), wk = 0.0025641 k( 102) = ( 0.4112903 0.4112903 -0.0000000), wk = 0.0025641 k( 103) = ( 0.4032258 0.4032258 -0.0000000), wk = 0.0025641 k( 104) = ( 0.3951613 0.3951613 -0.0000000), wk = 0.0025641 k( 105) = ( 0.3870968 0.3870968 -0.0000000), wk = 0.0025641 k( 106) = ( 0.3790323 0.3790323 -0.0000000), wk = 0.0025641 k( 107) = ( 0.3709677 0.3709677 -0.0000000), wk = 0.0025641 k( 108) = ( 0.3629032 0.3629032 -0.0000000), wk = 0.0025641 k( 109) = ( 0.3548387 0.3548387 -0.0000000), wk = 0.0025641 k( 110) = ( 0.3467742 0.3467742 -0.0000000), wk = 0.0025641 k( 111) = ( 0.3387097 0.3387097 -0.0000000), wk = 0.0025641 k( 112) = ( 0.3306452 0.3306452 -0.0000000), wk = 0.0025641 k( 113) = ( 0.3225807 0.3225806 -0.0000000), wk = 0.0025641 k( 114) = ( 0.3145161 0.3145161 -0.0000000), wk = 0.0025641 k( 115) = ( 0.3064516 0.3064516 -0.0000000), wk = 0.0025641 k( 116) = ( 0.2983871 0.2983871 -0.0000000), wk = 0.0025641 k( 117) = ( 0.2903226 0.2903226 -0.0000000), wk = 0.0025641 k( 118) = ( 0.2822581 0.2822581 -0.0000000), wk = 0.0025641 k( 119) = ( 0.2741936 0.2741936 -0.0000000), wk = 0.0025641 k( 120) = ( 0.2661290 0.2661290 -0.0000000), wk = 0.0025641 k( 121) = ( 0.2580645 0.2580645 -0.0000000), wk = 0.0025641 k( 122) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0025641 k( 123) = ( 0.2419355 0.2419355 -0.0000000), wk = 0.0025641 k( 124) = ( 0.2338710 0.2338710 -0.0000000), wk = 0.0025641 k( 125) = ( 0.2258064 0.2258064 -0.0000000), wk = 0.0025641 k( 126) = ( 0.2177419 0.2177419 -0.0000000), wk = 0.0025641 k( 127) = ( 0.2096774 0.2096774 -0.0000000), wk = 0.0025641 k( 128) = ( 0.2016129 0.2016129 -0.0000000), wk = 0.0025641 k( 129) = ( 0.1935484 0.1935484 -0.0000000), wk = 0.0025641 k( 130) = ( 0.1854839 0.1854839 -0.0000000), wk = 0.0025641 k( 131) = ( 0.1774194 0.1774193 -0.0000000), wk = 0.0025641 k( 132) = ( 0.1693548 0.1693548 -0.0000000), wk = 0.0025641 k( 133) = ( 0.1612903 0.1612903 -0.0000000), wk = 0.0025641 k( 134) = ( 0.1532258 0.1532258 -0.0000000), wk = 0.0025641 k( 135) = ( 0.1451613 0.1451613 -0.0000000), wk = 0.0025641 k( 136) = ( 0.1370968 0.1370968 -0.0000000), wk = 0.0025641 k( 137) = ( 0.1290323 0.1290323 -0.0000000), wk = 0.0025641 k( 138) = ( 0.1209677 0.1209677 -0.0000000), wk = 0.0025641 k( 139) = ( 0.1129032 0.1129032 -0.0000000), wk = 0.0025641 k( 140) = ( 0.1048387 0.1048387 -0.0000000), wk = 0.0025641 k( 141) = ( 0.0967742 0.0967742 -0.0000000), wk = 0.0025641 k( 142) = ( 0.0887097 0.0887097 -0.0000000), wk = 0.0025641 k( 143) = ( 0.0806452 0.0806452 -0.0000000), wk = 0.0025641 k( 144) = ( 0.0725806 0.0725806 -0.0000000), wk = 0.0025641 k( 145) = ( 0.0645161 0.0645161 -0.0000000), wk = 0.0025641 k( 146) = ( 0.0564516 0.0564516 -0.0000000), wk = 0.0025641 k( 147) = ( 0.0483871 0.0483871 -0.0000000), wk = 0.0025641 k( 148) = ( 0.0403226 0.0403226 -0.0000000), wk = 0.0025641 k( 149) = ( 0.0322581 0.0322581 -0.0000000), wk = 0.0025641 k( 150) = ( 0.0241936 0.0241935 -0.0000000), wk = 0.0025641 k( 151) = ( 0.0161290 0.0161290 -0.0000000), wk = 0.0025641 k( 152) = ( 0.0080645 0.0080645 -0.0000000), wk = 0.0025641 k( 153) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025641 k( 154) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025641 k( 155) = ( 0.0000000 0.0000000 0.0112450), wk = 0.0025641 k( 156) = ( 0.0000000 0.0000000 0.0224901), wk = 0.0025641 k( 157) = ( 0.0000000 0.0000000 0.0337351), wk = 0.0025641 k( 158) = ( 0.0000000 0.0000000 0.0449802), wk = 0.0025641 k( 159) = ( 0.0000000 0.0000000 0.0562252), wk = 0.0025641 k( 160) = ( 0.0000000 0.0000000 0.0674703), wk = 0.0025641 k( 161) = ( 0.0000000 0.0000000 0.0787153), wk = 0.0025641 k( 162) = ( 0.0000000 0.0000000 0.0899604), wk = 0.0025641 k( 163) = ( 0.0000000 0.0000000 0.1012054), wk = 0.0025641 k( 164) = ( 0.0000000 0.0000000 0.1124505), wk = 0.0025641 k( 165) = ( 0.0000000 0.0000000 0.1236955), wk = 0.0025641 k( 166) = ( 0.0000000 0.0000000 0.1349406), wk = 0.0025641 k( 167) = ( 0.0000000 0.0000000 0.1461856), wk = 0.0025641 k( 168) = ( 0.0000000 0.0000000 0.1574307), wk = 0.0025641 k( 169) = ( 0.0000000 0.0000000 0.1686757), wk = 0.0025641 k( 170) = ( 0.0000000 0.0000000 0.1799208), wk = 0.0025641 k( 171) = ( 0.0000000 0.0000000 0.1911658), wk = 0.0025641 k( 172) = ( 0.0000000 0.0000000 0.2024108), wk = 0.0025641 k( 173) = ( 0.0000000 0.0000000 0.2136559), wk = 0.0025641 k( 174) = ( 0.0000000 0.0000000 0.2249009), wk = 0.0025641 k( 175) = ( 0.0000000 0.0000000 0.2361460), wk = 0.0025641 k( 176) = ( 0.0000000 0.0000000 0.2473910), wk = 0.0025641 k( 177) = ( 0.0000000 0.0000000 0.2586361), wk = 0.0025641 k( 178) = ( 0.0000000 0.0000000 0.2698811), wk = 0.0025641 k( 179) = ( 0.0000000 0.0000000 0.2811262), wk = 0.0025641 k( 180) = ( 0.0000000 0.0000000 0.2923712), wk = 0.0025641 k( 181) = ( 0.0000000 0.0000000 0.3036163), wk = 0.0025641 k( 182) = ( 0.0000000 0.0000000 0.3036163), wk = 0.0025641 k( 183) = ( 0.0000000 0.0113636 0.3036163), wk = 0.0025641 k( 184) = ( 0.0000000 0.0227273 0.3036163), wk = 0.0025641 k( 185) = ( 0.0000000 0.0340909 0.3036163), wk = 0.0025641 k( 186) = ( 0.0000000 0.0454546 0.3036163), wk = 0.0025641 k( 187) = ( 0.0000000 0.0568182 0.3036163), wk = 0.0025641 k( 188) = ( 0.0000000 0.0681818 0.3036163), wk = 0.0025641 k( 189) = ( 0.0000000 0.0795455 0.3036163), wk = 0.0025641 k( 190) = ( 0.0000000 0.0909091 0.3036163), wk = 0.0025641 k( 191) = ( 0.0000000 0.1022727 0.3036163), wk = 0.0025641 k( 192) = ( 0.0000000 0.1136364 0.3036163), wk = 0.0025641 k( 193) = ( 0.0000000 0.1250000 0.3036163), wk = 0.0025641 k( 194) = ( 0.0000000 0.1363636 0.3036163), wk = 0.0025641 k( 195) = ( 0.0000000 0.1477273 0.3036163), wk = 0.0025641 k( 196) = ( 0.0000000 0.1590909 0.3036163), wk = 0.0025641 k( 197) = ( 0.0000000 0.1704546 0.3036163), wk = 0.0025641 k( 198) = ( 0.0000000 0.1818182 0.3036163), wk = 0.0025641 k( 199) = ( 0.0000000 0.1931818 0.3036163), wk = 0.0025641 k( 200) = ( 0.0000000 0.2045454 0.3036163), wk = 0.0025641 k( 201) = ( 0.0000000 0.2159091 0.3036163), wk = 0.0025641 k( 202) = ( 0.0000000 0.2272727 0.3036163), wk = 0.0025641 k( 203) = ( 0.0000000 0.2386364 0.3036163), wk = 0.0025641 k( 204) = ( 0.0000000 0.2500000 0.3036163), wk = 0.0025641 k( 205) = ( 0.0000000 0.2613636 0.3036163), wk = 0.0025641 k( 206) = ( 0.0000000 0.2727273 0.3036163), wk = 0.0025641 k( 207) = ( 0.0000000 0.2840909 0.3036163), wk = 0.0025641 k( 208) = ( 0.0000000 0.2954545 0.3036163), wk = 0.0025641 k( 209) = ( 0.0000000 0.3068182 0.3036163), wk = 0.0025641 k( 210) = ( 0.0000000 0.3181818 0.3036163), wk = 0.0025641 k( 211) = ( 0.0000000 0.3295455 0.3036163), wk = 0.0025641 k( 212) = ( 0.0000000 0.3409091 0.3036163), wk = 0.0025641 k( 213) = ( 0.0000000 0.3522727 0.3036163), wk = 0.0025641 k( 214) = ( 0.0000000 0.3636364 0.3036163), wk = 0.0025641 k( 215) = ( 0.0000000 0.3750000 0.3036163), wk = 0.0025641 k( 216) = ( 0.0000000 0.3863636 0.3036163), wk = 0.0025641 k( 217) = ( 0.0000000 0.3977273 0.3036163), wk = 0.0025641 k( 218) = ( 0.0000000 0.4090909 0.3036163), wk = 0.0025641 k( 219) = ( 0.0000000 0.4204545 0.3036163), wk = 0.0025641 k( 220) = ( 0.0000000 0.4318182 0.3036163), wk = 0.0025641 k( 221) = ( 0.0000000 0.4431818 0.3036163), wk = 0.0025641 k( 222) = ( 0.0000000 0.4545455 0.3036163), wk = 0.0025641 k( 223) = ( 0.0000000 0.4659091 0.3036163), wk = 0.0025641 k( 224) = ( 0.0000000 0.4772727 0.3036163), wk = 0.0025641 k( 225) = ( 0.0000000 0.4886364 0.3036163), wk = 0.0025641 k( 226) = ( 0.0000000 0.5000000 0.3036163), wk = 0.0025641 k( 227) = ( 0.0000000 0.5000000 0.3036163), wk = 0.0025641 k( 228) = ( 0.0113636 0.5000000 0.3036163), wk = 0.0025641 k( 229) = ( 0.0227273 0.5000000 0.3036163), wk = 0.0025641 k( 230) = ( 0.0340909 0.5000000 0.3036163), wk = 0.0025641 k( 231) = ( 0.0454546 0.5000000 0.3036163), wk = 0.0025641 k( 232) = ( 0.0568182 0.5000000 0.3036163), wk = 0.0025641 k( 233) = ( 0.0681818 0.5000000 0.3036163), wk = 0.0025641 k( 234) = ( 0.0795455 0.5000000 0.3036163), wk = 0.0025641 k( 235) = ( 0.0909091 0.5000000 0.3036163), wk = 0.0025641 k( 236) = ( 0.1022727 0.5000000 0.3036163), wk = 0.0025641 k( 237) = ( 0.1136364 0.5000000 0.3036163), wk = 0.0025641 k( 238) = ( 0.1250000 0.5000000 0.3036163), wk = 0.0025641 k( 239) = ( 0.1363636 0.5000000 0.3036163), wk = 0.0025641 k( 240) = ( 0.1477273 0.5000000 0.3036163), wk = 0.0025641 k( 241) = ( 0.1590909 0.5000000 0.3036163), wk = 0.0025641 k( 242) = ( 0.1704546 0.5000000 0.3036163), wk = 0.0025641 k( 243) = ( 0.1818182 0.5000000 0.3036163), wk = 0.0025641 k( 244) = ( 0.1931818 0.5000000 0.3036163), wk = 0.0025641 k( 245) = ( 0.2045454 0.5000000 0.3036163), wk = 0.0025641 k( 246) = ( 0.2159091 0.5000000 0.3036163), wk = 0.0025641 k( 247) = ( 0.2272727 0.5000000 0.3036163), wk = 0.0025641 k( 248) = ( 0.2386364 0.5000000 0.3036163), wk = 0.0025641 k( 249) = ( 0.2500000 0.5000000 0.3036163), wk = 0.0025641 k( 250) = ( 0.2613636 0.5000000 0.3036163), wk = 0.0025641 k( 251) = ( 0.2727273 0.5000000 0.3036163), wk = 0.0025641 k( 252) = ( 0.2840909 0.5000000 0.3036163), wk = 0.0025641 k( 253) = ( 0.2954545 0.5000000 0.3036163), wk = 0.0025641 k( 254) = ( 0.3068182 0.5000000 0.3036163), wk = 0.0025641 k( 255) = ( 0.3181818 0.5000000 0.3036163), wk = 0.0025641 k( 256) = ( 0.3295455 0.5000000 0.3036163), wk = 0.0025641 k( 257) = ( 0.3409091 0.5000000 0.3036163), wk = 0.0025641 k( 258) = ( 0.3522727 0.5000000 0.3036163), wk = 0.0025641 k( 259) = ( 0.3636364 0.5000000 0.3036163), wk = 0.0025641 k( 260) = ( 0.3750000 0.5000000 0.3036163), wk = 0.0025641 k( 261) = ( 0.3863636 0.5000000 0.3036163), wk = 0.0025641 k( 262) = ( 0.3977273 0.5000000 0.3036163), wk = 0.0025641 k( 263) = ( 0.4090909 0.5000000 0.3036163), wk = 0.0025641 k( 264) = ( 0.4204545 0.5000000 0.3036163), wk = 0.0025641 k( 265) = ( 0.4318182 0.5000000 0.3036163), wk = 0.0025641 k( 266) = ( 0.4431818 0.5000000 0.3036163), wk = 0.0025641 k( 267) = ( 0.4545455 0.5000000 0.3036163), wk = 0.0025641 k( 268) = ( 0.4659091 0.5000000 0.3036163), wk = 0.0025641 k( 269) = ( 0.4772727 0.5000000 0.3036163), wk = 0.0025641 k( 270) = ( 0.4886364 0.5000000 0.3036163), wk = 0.0025641 k( 271) = ( 0.5000000 0.5000000 0.3036163), wk = 0.0025641 k( 272) = ( 0.5000000 0.5000000 0.3036163), wk = 0.0025641 k( 273) = ( 0.4919355 0.4919355 0.3036163), wk = 0.0025641 k( 274) = ( 0.4838710 0.4838710 0.3036163), wk = 0.0025641 k( 275) = ( 0.4758064 0.4758064 0.3036163), wk = 0.0025641 k( 276) = ( 0.4677419 0.4677419 0.3036163), wk = 0.0025641 k( 277) = ( 0.4596774 0.4596774 0.3036163), wk = 0.0025641 k( 278) = ( 0.4516129 0.4516129 0.3036163), wk = 0.0025641 k( 279) = ( 0.4435484 0.4435484 0.3036163), wk = 0.0025641 k( 280) = ( 0.4354839 0.4354839 0.3036163), wk = 0.0025641 k( 281) = ( 0.4274193 0.4274193 0.3036163), wk = 0.0025641 k( 282) = ( 0.4193548 0.4193548 0.3036163), wk = 0.0025641 k( 283) = ( 0.4112903 0.4112903 0.3036163), wk = 0.0025641 k( 284) = ( 0.4032258 0.4032258 0.3036163), wk = 0.0025641 k( 285) = ( 0.3951613 0.3951613 0.3036163), wk = 0.0025641 k( 286) = ( 0.3870968 0.3870968 0.3036163), wk = 0.0025641 k( 287) = ( 0.3790323 0.3790323 0.3036163), wk = 0.0025641 k( 288) = ( 0.3709677 0.3709677 0.3036163), wk = 0.0025641 k( 289) = ( 0.3629032 0.3629032 0.3036163), wk = 0.0025641 k( 290) = ( 0.3548387 0.3548387 0.3036163), wk = 0.0025641 k( 291) = ( 0.3467742 0.3467742 0.3036163), wk = 0.0025641 k( 292) = ( 0.3387097 0.3387097 0.3036163), wk = 0.0025641 k( 293) = ( 0.3306452 0.3306452 0.3036163), wk = 0.0025641 k( 294) = ( 0.3225807 0.3225806 0.3036163), wk = 0.0025641 k( 295) = ( 0.3145161 0.3145161 0.3036163), wk = 0.0025641 k( 296) = ( 0.3064516 0.3064516 0.3036163), wk = 0.0025641 k( 297) = ( 0.2983871 0.2983871 0.3036163), wk = 0.0025641 k( 298) = ( 0.2903226 0.2903226 0.3036163), wk = 0.0025641 k( 299) = ( 0.2822581 0.2822581 0.3036163), wk = 0.0025641 k( 300) = ( 0.2741936 0.2741936 0.3036163), wk = 0.0025641 k( 301) = ( 0.2661290 0.2661290 0.3036163), wk = 0.0025641 k( 302) = ( 0.2580645 0.2580645 0.3036163), wk = 0.0025641 k( 303) = ( 0.2500000 0.2500000 0.3036163), wk = 0.0025641 k( 304) = ( 0.2419355 0.2419355 0.3036163), wk = 0.0025641 k( 305) = ( 0.2338710 0.2338710 0.3036163), wk = 0.0025641 k( 306) = ( 0.2258064 0.2258064 0.3036163), wk = 0.0025641 k( 307) = ( 0.2177419 0.2177419 0.3036163), wk = 0.0025641 k( 308) = ( 0.2096774 0.2096774 0.3036163), wk = 0.0025641 k( 309) = ( 0.2016129 0.2016129 0.3036163), wk = 0.0025641 k( 310) = ( 0.1935484 0.1935484 0.3036163), wk = 0.0025641 k( 311) = ( 0.1854839 0.1854839 0.3036163), wk = 0.0025641 k( 312) = ( 0.1774194 0.1774193 0.3036163), wk = 0.0025641 k( 313) = ( 0.1693548 0.1693548 0.3036163), wk = 0.0025641 k( 314) = ( 0.1612903 0.1612903 0.3036163), wk = 0.0025641 k( 315) = ( 0.1532258 0.1532258 0.3036163), wk = 0.0025641 k( 316) = ( 0.1451613 0.1451613 0.3036163), wk = 0.0025641 k( 317) = ( 0.1370968 0.1370968 0.3036163), wk = 0.0025641 k( 318) = ( 0.1290323 0.1290323 0.3036163), wk = 0.0025641 k( 319) = ( 0.1209677 0.1209677 0.3036163), wk = 0.0025641 k( 320) = ( 0.1129032 0.1129032 0.3036163), wk = 0.0025641 k( 321) = ( 0.1048387 0.1048387 0.3036163), wk = 0.0025641 k( 322) = ( 0.0967742 0.0967742 0.3036163), wk = 0.0025641 k( 323) = ( 0.0887097 0.0887097 0.3036163), wk = 0.0025641 k( 324) = ( 0.0806452 0.0806452 0.3036163), wk = 0.0025641 k( 325) = ( 0.0725806 0.0725806 0.3036163), wk = 0.0025641 k( 326) = ( 0.0645161 0.0645161 0.3036163), wk = 0.0025641 k( 327) = ( 0.0564516 0.0564516 0.3036163), wk = 0.0025641 k( 328) = ( 0.0483871 0.0483871 0.3036163), wk = 0.0025641 k( 329) = ( 0.0403226 0.0403226 0.3036163), wk = 0.0025641 k( 330) = ( 0.0322581 0.0322581 0.3036163), wk = 0.0025641 k( 331) = ( 0.0241936 0.0241935 0.3036163), wk = 0.0025641 k( 332) = ( 0.0161290 0.0161290 0.3036163), wk = 0.0025641 k( 333) = ( 0.0080645 0.0080645 0.3036163), wk = 0.0025641 k( 334) = ( 0.0000000 0.0000000 0.3036163), wk = 0.0025641 k( 335) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025641 k( 336) = ( 0.0000000 0.5000000 0.0112450), wk = 0.0025641 k( 337) = ( 0.0000000 0.5000000 0.0224901), wk = 0.0025641 k( 338) = ( 0.0000000 0.5000000 0.0337351), wk = 0.0025641 k( 339) = ( 0.0000000 0.5000000 0.0449802), wk = 0.0025641 k( 340) = ( 0.0000000 0.5000000 0.0562252), wk = 0.0025641 k( 341) = ( 0.0000000 0.5000000 0.0674703), wk = 0.0025641 k( 342) = ( 0.0000000 0.5000000 0.0787153), wk = 0.0025641 k( 343) = ( 0.0000000 0.5000000 0.0899604), wk = 0.0025641 k( 344) = ( 0.0000000 0.5000000 0.1012054), wk = 0.0025641 k( 345) = ( 0.0000000 0.5000000 0.1124505), wk = 0.0025641 k( 346) = ( 0.0000000 0.5000000 0.1236955), wk = 0.0025641 k( 347) = ( 0.0000000 0.5000000 0.1349406), wk = 0.0025641 k( 348) = ( 0.0000000 0.5000000 0.1461856), wk = 0.0025641 k( 349) = ( 0.0000000 0.5000000 0.1574307), wk = 0.0025641 k( 350) = ( 0.0000000 0.5000000 0.1686757), wk = 0.0025641 k( 351) = ( 0.0000000 0.5000000 0.1799208), wk = 0.0025641 k( 352) = ( 0.0000000 0.5000000 0.1911658), wk = 0.0025641 k( 353) = ( 0.0000000 0.5000000 0.2024108), wk = 0.0025641 k( 354) = ( 0.0000000 0.5000000 0.2136559), wk = 0.0025641 k( 355) = ( 0.0000000 0.5000000 0.2249009), wk = 0.0025641 k( 356) = ( 0.0000000 0.5000000 0.2361460), wk = 0.0025641 k( 357) = ( 0.0000000 0.5000000 0.2473910), wk = 0.0025641 k( 358) = ( 0.0000000 0.5000000 0.2586361), wk = 0.0025641 k( 359) = ( 0.0000000 0.5000000 0.2698811), wk = 0.0025641 k( 360) = ( 0.0000000 0.5000000 0.2811262), wk = 0.0025641 k( 361) = ( 0.0000000 0.5000000 0.2923712), wk = 0.0025641 k( 362) = ( 0.0000000 0.5000000 0.3036163), wk = 0.0025641 k( 363) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0025641 k( 364) = ( 0.5000000 0.5000000 0.0112450), wk = 0.0025641 k( 365) = ( 0.5000000 0.5000000 0.0224901), wk = 0.0025641 k( 366) = ( 0.5000000 0.5000000 0.0337351), wk = 0.0025641 k( 367) = ( 0.5000000 0.5000000 0.0449802), wk = 0.0025641 k( 368) = ( 0.5000000 0.5000000 0.0562252), wk = 0.0025641 k( 369) = ( 0.5000000 0.5000000 0.0674703), wk = 0.0025641 k( 370) = ( 0.5000000 0.5000000 0.0787153), wk = 0.0025641 k( 371) = ( 0.5000000 0.5000000 0.0899604), wk = 0.0025641 k( 372) = ( 0.5000000 0.5000000 0.1012054), wk = 0.0025641 k( 373) = ( 0.5000000 0.5000000 0.1124505), wk = 0.0025641 k( 374) = ( 0.5000000 0.5000000 0.1236955), wk = 0.0025641 k( 375) = ( 0.5000000 0.5000000 0.1349406), wk = 0.0025641 k( 376) = ( 0.5000000 0.5000000 0.1461856), wk = 0.0025641 k( 377) = ( 0.5000000 0.5000000 0.1574307), wk = 0.0025641 k( 378) = ( 0.5000000 0.5000000 0.1686757), wk = 0.0025641 k( 379) = ( 0.5000000 0.5000000 0.1799208), wk = 0.0025641 k( 380) = ( 0.5000000 0.5000000 0.1911658), wk = 0.0025641 k( 381) = ( 0.5000000 0.5000000 0.2024108), wk = 0.0025641 k( 382) = ( 0.5000000 0.5000000 0.2136559), wk = 0.0025641 k( 383) = ( 0.5000000 0.5000000 0.2249009), wk = 0.0025641 k( 384) = ( 0.5000000 0.5000000 0.2361460), wk = 0.0025641 k( 385) = ( 0.5000000 0.5000000 0.2473910), wk = 0.0025641 k( 386) = ( 0.5000000 0.5000000 0.2586361), wk = 0.0025641 k( 387) = ( 0.5000000 0.5000000 0.2698811), wk = 0.0025641 k( 388) = ( 0.5000000 0.5000000 0.2811262), wk = 0.0025641 k( 389) = ( 0.5000000 0.5000000 0.2923712), wk = 0.0025641 k( 390) = ( 0.5000000 0.5000000 0.3036163), wk = 0.0025641 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025641 k( 2) = ( 0.0000000 0.0113636 0.0000000), wk = 0.0025641 k( 3) = ( 0.0000000 0.0227273 -0.0000000), wk = 0.0025641 k( 4) = ( 0.0000000 0.0340909 0.0000000), wk = 0.0025641 k( 5) = ( 0.0000000 0.0454546 -0.0000000), wk = 0.0025641 k( 6) = ( 0.0000000 0.0568182 0.0000000), wk = 0.0025641 k( 7) = ( 0.0000000 0.0681818 0.0000000), wk = 0.0025641 k( 8) = ( 0.0000000 0.0795455 -0.0000000), wk = 0.0025641 k( 9) = ( 0.0000000 0.0909091 -0.0000000), wk = 0.0025641 k( 10) = ( 0.0000000 0.1022727 0.0000000), wk = 0.0025641 k( 11) = ( 0.0000000 0.1136364 0.0000000), wk = 0.0025641 k( 12) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0025641 k( 13) = ( 0.0000000 0.1363636 0.0000000), wk = 0.0025641 k( 14) = ( 0.0000000 0.1477273 0.0000000), wk = 0.0025641 k( 15) = ( 0.0000000 0.1590909 0.0000000), wk = 0.0025641 k( 16) = ( 0.0000000 0.1704546 -0.0000000), wk = 0.0025641 k( 17) = ( 0.0000000 0.1818182 -0.0000000), wk = 0.0025641 k( 18) = ( 0.0000000 0.1931818 0.0000000), wk = 0.0025641 k( 19) = ( 0.0000000 0.2045454 0.0000000), wk = 0.0025641 k( 20) = ( 0.0000000 0.2159091 0.0000000), wk = 0.0025641 k( 21) = ( 0.0000000 0.2272727 0.0000000), wk = 0.0025641 k( 22) = ( 0.0000000 0.2386364 0.0000000), wk = 0.0025641 k( 23) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0025641 k( 24) = ( 0.0000000 0.2613636 -0.0000000), wk = 0.0025641 k( 25) = ( 0.0000000 0.2727273 0.0000000), wk = 0.0025641 k( 26) = ( 0.0000000 0.2840909 0.0000000), wk = 0.0025641 k( 27) = ( 0.0000000 0.2954545 0.0000000), wk = 0.0025641 k( 28) = ( 0.0000000 0.3068182 -0.0000000), wk = 0.0025641 k( 29) = ( 0.0000000 0.3181818 0.0000000), wk = 0.0025641 k( 30) = ( 0.0000000 0.3295455 -0.0000000), wk = 0.0025641 k( 31) = ( 0.0000000 0.3409091 -0.0000000), wk = 0.0025641 k( 32) = ( 0.0000000 0.3522727 0.0000000), wk = 0.0025641 k( 33) = ( 0.0000000 0.3636364 -0.0000000), wk = 0.0025641 k( 34) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0025641 k( 35) = ( 0.0000000 0.3863636 0.0000000), wk = 0.0025641 k( 36) = ( 0.0000000 0.3977273 0.0000000), wk = 0.0025641 k( 37) = ( 0.0000000 0.4090909 0.0000000), wk = 0.0025641 k( 38) = ( 0.0000000 0.4204545 -0.0000000), wk = 0.0025641 k( 39) = ( 0.0000000 0.4318182 0.0000000), wk = 0.0025641 k( 40) = ( 0.0000000 0.4431818 -0.0000000), wk = 0.0025641 k( 41) = ( 0.0000000 0.4545455 0.0000000), wk = 0.0025641 k( 42) = ( 0.0000000 0.4659091 -0.0000000), wk = 0.0025641 k( 43) = ( 0.0000000 0.4772727 0.0000000), wk = 0.0025641 k( 44) = ( 0.0000000 0.4886364 -0.0000000), wk = 0.0025641 k( 45) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0025641 k( 46) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0025641 k( 47) = ( 0.0113636 0.5000000 -0.0000000), wk = 0.0025641 k( 48) = ( 0.0227273 0.5000000 0.0000000), wk = 0.0025641 k( 49) = ( 0.0340909 0.5000000 -0.0000000), wk = 0.0025641 k( 50) = ( 0.0454546 0.5000000 0.0000000), wk = 0.0025641 k( 51) = ( 0.0568182 0.5000000 0.0000000), wk = 0.0025641 k( 52) = ( 0.0681818 0.5000000 0.0000000), wk = 0.0025641 k( 53) = ( 0.0795455 0.5000000 0.0000000), wk = 0.0025641 k( 54) = ( 0.0909091 0.5000000 0.0000000), wk = 0.0025641 k( 55) = ( 0.1022727 0.5000000 0.0000000), wk = 0.0025641 k( 56) = ( 0.1136364 0.5000000 0.0000000), wk = 0.0025641 k( 57) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0025641 k( 58) = ( 0.1363636 0.5000000 0.0000000), wk = 0.0025641 k( 59) = ( 0.1477273 0.5000000 0.0000000), wk = 0.0025641 k( 60) = ( 0.1590909 0.5000000 -0.0000000), wk = 0.0025641 k( 61) = ( 0.1704546 0.5000000 0.0000000), wk = 0.0025641 k( 62) = ( 0.1818182 0.5000000 0.0000000), wk = 0.0025641 k( 63) = ( 0.1931818 0.5000000 0.0000000), wk = 0.0025641 k( 64) = ( 0.2045454 0.5000000 0.0000000), wk = 0.0025641 k( 65) = ( 0.2159091 0.5000000 0.0000000), wk = 0.0025641 k( 66) = ( 0.2272727 0.5000000 0.0000000), wk = 0.0025641 k( 67) = ( 0.2386364 0.5000000 0.0000000), wk = 0.0025641 k( 68) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0025641 k( 69) = ( 0.2613636 0.5000000 0.0000000), wk = 0.0025641 k( 70) = ( 0.2727273 0.5000000 -0.0000000), wk = 0.0025641 k( 71) = ( 0.2840909 0.5000000 -0.0000000), wk = 0.0025641 k( 72) = ( 0.2954545 0.5000000 -0.0000000), wk = 0.0025641 k( 73) = ( 0.3068182 0.5000000 -0.0000000), wk = 0.0025641 k( 74) = ( 0.3181818 0.5000000 0.0000000), wk = 0.0025641 k( 75) = ( 0.3295455 0.5000000 0.0000000), wk = 0.0025641 k( 76) = ( 0.3409091 0.5000000 -0.0000000), wk = 0.0025641 k( 77) = ( 0.3522727 0.5000000 0.0000000), wk = 0.0025641 k( 78) = ( 0.3636364 0.5000000 -0.0000000), wk = 0.0025641 k( 79) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0025641 k( 80) = ( 0.3863636 0.5000000 0.0000000), wk = 0.0025641 k( 81) = ( 0.3977273 0.5000000 0.0000000), wk = 0.0025641 k( 82) = ( 0.4090909 0.5000000 0.0000000), wk = 0.0025641 k( 83) = ( 0.4204545 0.5000000 -0.0000000), wk = 0.0025641 k( 84) = ( 0.4318182 0.5000000 -0.0000000), wk = 0.0025641 k( 85) = ( 0.4431818 0.5000000 0.0000000), wk = 0.0025641 k( 86) = ( 0.4545455 0.5000000 0.0000000), wk = 0.0025641 k( 87) = ( 0.4659091 0.5000000 -0.0000000), wk = 0.0025641 k( 88) = ( 0.4772727 0.5000000 -0.0000000), wk = 0.0025641 k( 89) = ( 0.4886364 0.5000000 0.0000000), wk = 0.0025641 k( 90) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0025641 k( 91) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0025641 k( 92) = ( 0.4919355 0.4919355 0.0000000), wk = 0.0025641 k( 93) = ( 0.4838710 0.4838710 0.0000000), wk = 0.0025641 k( 94) = ( 0.4758064 0.4758064 0.0000000), wk = 0.0025641 k( 95) = ( 0.4677419 0.4677419 0.0000000), wk = 0.0025641 k( 96) = ( 0.4596774 0.4596774 0.0000000), wk = 0.0025641 k( 97) = ( 0.4516129 0.4516129 0.0000000), wk = 0.0025641 k( 98) = ( 0.4435484 0.4435484 -0.0000000), wk = 0.0025641 k( 99) = ( 0.4354839 0.4354839 0.0000000), wk = 0.0025641 k( 100) = ( 0.4274193 0.4274193 0.0000000), wk = 0.0025641 k( 101) = ( 0.4193548 0.4193548 0.0000000), wk = 0.0025641 k( 102) = ( 0.4112903 0.4112903 -0.0000000), wk = 0.0025641 k( 103) = ( 0.4032258 0.4032258 -0.0000000), wk = 0.0025641 k( 104) = ( 0.3951613 0.3951613 -0.0000000), wk = 0.0025641 k( 105) = ( 0.3870968 0.3870968 -0.0000000), wk = 0.0025641 k( 106) = ( 0.3790323 0.3790323 -0.0000000), wk = 0.0025641 k( 107) = ( 0.3709677 0.3709677 -0.0000000), wk = 0.0025641 k( 108) = ( 0.3629032 0.3629032 -0.0000000), wk = 0.0025641 k( 109) = ( 0.3548387 0.3548387 -0.0000000), wk = 0.0025641 k( 110) = ( 0.3467742 0.3467742 -0.0000000), wk = 0.0025641 k( 111) = ( 0.3387097 0.3387097 -0.0000000), wk = 0.0025641 k( 112) = ( 0.3306452 0.3306452 0.0000000), wk = 0.0025641 k( 113) = ( 0.3225807 0.3225807 0.0000000), wk = 0.0025641 k( 114) = ( 0.3145161 0.3145161 0.0000000), wk = 0.0025641 k( 115) = ( 0.3064516 0.3064516 -0.0000000), wk = 0.0025641 k( 116) = ( 0.2983871 0.2983871 -0.0000000), wk = 0.0025641 k( 117) = ( 0.2903226 0.2903226 0.0000000), wk = 0.0025641 k( 118) = ( 0.2822581 0.2822581 0.0000000), wk = 0.0025641 k( 119) = ( 0.2741936 0.2741936 0.0000000), wk = 0.0025641 k( 120) = ( 0.2661290 0.2661290 0.0000000), wk = 0.0025641 k( 121) = ( 0.2580645 0.2580645 0.0000000), wk = 0.0025641 k( 122) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0025641 k( 123) = ( 0.2419355 0.2419355 0.0000000), wk = 0.0025641 k( 124) = ( 0.2338710 0.2338710 0.0000000), wk = 0.0025641 k( 125) = ( 0.2258064 0.2258064 0.0000000), wk = 0.0025641 k( 126) = ( 0.2177419 0.2177419 -0.0000000), wk = 0.0025641 k( 127) = ( 0.2096774 0.2096774 0.0000000), wk = 0.0025641 k( 128) = ( 0.2016129 0.2016129 0.0000000), wk = 0.0025641 k( 129) = ( 0.1935484 0.1935484 -0.0000000), wk = 0.0025641 k( 130) = ( 0.1854839 0.1854839 -0.0000000), wk = 0.0025641 k( 131) = ( 0.1774194 0.1774194 0.0000000), wk = 0.0025641 k( 132) = ( 0.1693548 0.1693548 -0.0000000), wk = 0.0025641 k( 133) = ( 0.1612903 0.1612903 0.0000000), wk = 0.0025641 k( 134) = ( 0.1532258 0.1532258 -0.0000000), wk = 0.0025641 k( 135) = ( 0.1451613 0.1451613 0.0000000), wk = 0.0025641 k( 136) = ( 0.1370968 0.1370968 0.0000000), wk = 0.0025641 k( 137) = ( 0.1290323 0.1290323 0.0000000), wk = 0.0025641 k( 138) = ( 0.1209677 0.1209677 0.0000000), wk = 0.0025641 k( 139) = ( 0.1129032 0.1129032 -0.0000000), wk = 0.0025641 k( 140) = ( 0.1048387 0.1048387 0.0000000), wk = 0.0025641 k( 141) = ( 0.0967742 0.0967742 0.0000000), wk = 0.0025641 k( 142) = ( 0.0887097 0.0887097 -0.0000000), wk = 0.0025641 k( 143) = ( 0.0806452 0.0806452 0.0000000), wk = 0.0025641 k( 144) = ( 0.0725806 0.0725806 0.0000000), wk = 0.0025641 k( 145) = ( 0.0645161 0.0645161 0.0000000), wk = 0.0025641 k( 146) = ( 0.0564516 0.0564516 -0.0000000), wk = 0.0025641 k( 147) = ( 0.0483871 0.0483871 0.0000000), wk = 0.0025641 k( 148) = ( 0.0403226 0.0403226 0.0000000), wk = 0.0025641 k( 149) = ( 0.0322581 0.0322581 0.0000000), wk = 0.0025641 k( 150) = ( 0.0241936 0.0241936 0.0000000), wk = 0.0025641 k( 151) = ( 0.0161290 0.0161290 0.0000000), wk = 0.0025641 k( 152) = ( 0.0080645 0.0080645 0.0000000), wk = 0.0025641 k( 153) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025641 k( 154) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025641 k( 155) = ( 0.0000000 0.0000000 0.0185185), wk = 0.0025641 k( 156) = ( 0.0000000 0.0000000 0.0370370), wk = 0.0025641 k( 157) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0025641 k( 158) = ( 0.0000000 0.0000000 0.0740741), wk = 0.0025641 k( 159) = ( 0.0000000 0.0000000 0.0925926), wk = 0.0025641 k( 160) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0025641 k( 161) = ( 0.0000000 0.0000000 0.1296296), wk = 0.0025641 k( 162) = ( 0.0000000 0.0000000 0.1481482), wk = 0.0025641 k( 163) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0025641 k( 164) = ( 0.0000000 0.0000000 0.1851852), wk = 0.0025641 k( 165) = ( 0.0000000 0.0000000 0.2037037), wk = 0.0025641 k( 166) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0025641 k( 167) = ( 0.0000000 0.0000000 0.2407407), wk = 0.0025641 k( 168) = ( 0.0000000 0.0000000 0.2592593), wk = 0.0025641 k( 169) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0025641 k( 170) = ( 0.0000000 0.0000000 0.2962963), wk = 0.0025641 k( 171) = ( 0.0000000 0.0000000 0.3148148), wk = 0.0025641 k( 172) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0025641 k( 173) = ( 0.0000000 0.0000000 0.3518519), wk = 0.0025641 k( 174) = ( 0.0000000 0.0000000 0.3703704), wk = 0.0025641 k( 175) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0025641 k( 176) = ( 0.0000000 0.0000000 0.4074074), wk = 0.0025641 k( 177) = ( 0.0000000 0.0000000 0.4259259), wk = 0.0025641 k( 178) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0025641 k( 179) = ( 0.0000000 0.0000000 0.4629630), wk = 0.0025641 k( 180) = ( 0.0000000 0.0000000 0.4814815), wk = 0.0025641 k( 181) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025641 k( 182) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025641 k( 183) = ( 0.0000000 0.0113636 0.5000000), wk = 0.0025641 k( 184) = ( 0.0000000 0.0227273 0.5000000), wk = 0.0025641 k( 185) = ( 0.0000000 0.0340909 0.5000000), wk = 0.0025641 k( 186) = ( 0.0000000 0.0454546 0.5000000), wk = 0.0025641 k( 187) = ( 0.0000000 0.0568182 0.5000000), wk = 0.0025641 k( 188) = ( 0.0000000 0.0681818 0.5000000), wk = 0.0025641 k( 189) = ( 0.0000000 0.0795455 0.5000000), wk = 0.0025641 k( 190) = ( 0.0000000 0.0909091 0.5000000), wk = 0.0025641 k( 191) = ( 0.0000000 0.1022727 0.5000000), wk = 0.0025641 k( 192) = ( 0.0000000 0.1136364 0.5000000), wk = 0.0025641 k( 193) = ( 0.0000000 0.1250000 0.5000000), wk = 0.0025641 k( 194) = ( 0.0000000 0.1363636 0.5000000), wk = 0.0025641 k( 195) = ( 0.0000000 0.1477273 0.5000000), wk = 0.0025641 k( 196) = ( 0.0000000 0.1590909 0.5000000), wk = 0.0025641 k( 197) = ( 0.0000000 0.1704546 0.5000000), wk = 0.0025641 k( 198) = ( 0.0000000 0.1818182 0.5000000), wk = 0.0025641 k( 199) = ( 0.0000000 0.1931818 0.5000000), wk = 0.0025641 k( 200) = ( 0.0000000 0.2045454 0.5000000), wk = 0.0025641 k( 201) = ( 0.0000000 0.2159091 0.5000000), wk = 0.0025641 k( 202) = ( 0.0000000 0.2272727 0.5000000), wk = 0.0025641 k( 203) = ( 0.0000000 0.2386364 0.5000000), wk = 0.0025641 k( 204) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0025641 k( 205) = ( 0.0000000 0.2613636 0.5000000), wk = 0.0025641 k( 206) = ( 0.0000000 0.2727273 0.5000000), wk = 0.0025641 k( 207) = ( 0.0000000 0.2840909 0.5000000), wk = 0.0025641 k( 208) = ( 0.0000000 0.2954545 0.5000000), wk = 0.0025641 k( 209) = ( 0.0000000 0.3068182 0.5000000), wk = 0.0025641 k( 210) = ( 0.0000000 0.3181818 0.5000000), wk = 0.0025641 k( 211) = ( 0.0000000 0.3295455 0.5000000), wk = 0.0025641 k( 212) = ( 0.0000000 0.3409091 0.5000000), wk = 0.0025641 k( 213) = ( 0.0000000 0.3522727 0.5000000), wk = 0.0025641 k( 214) = ( 0.0000000 0.3636364 0.5000000), wk = 0.0025641 k( 215) = ( 0.0000000 0.3750000 0.5000000), wk = 0.0025641 k( 216) = ( 0.0000000 0.3863636 0.5000000), wk = 0.0025641 k( 217) = ( 0.0000000 0.3977273 0.5000000), wk = 0.0025641 k( 218) = ( 0.0000000 0.4090909 0.5000000), wk = 0.0025641 k( 219) = ( 0.0000000 0.4204545 0.5000000), wk = 0.0025641 k( 220) = ( 0.0000000 0.4318182 0.5000000), wk = 0.0025641 k( 221) = ( 0.0000000 0.4431818 0.5000000), wk = 0.0025641 k( 222) = ( 0.0000000 0.4545455 0.5000000), wk = 0.0025641 k( 223) = ( 0.0000000 0.4659091 0.5000000), wk = 0.0025641 k( 224) = ( 0.0000000 0.4772727 0.5000000), wk = 0.0025641 k( 225) = ( 0.0000000 0.4886364 0.5000000), wk = 0.0025641 k( 226) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025641 k( 227) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025641 k( 228) = ( 0.0113636 0.5000000 0.5000000), wk = 0.0025641 k( 229) = ( 0.0227273 0.5000000 0.5000000), wk = 0.0025641 k( 230) = ( 0.0340909 0.5000000 0.5000000), wk = 0.0025641 k( 231) = ( 0.0454546 0.5000000 0.5000000), wk = 0.0025641 k( 232) = ( 0.0568182 0.5000000 0.5000000), wk = 0.0025641 k( 233) = ( 0.0681818 0.5000000 0.5000000), wk = 0.0025641 k( 234) = ( 0.0795455 0.5000000 0.5000000), wk = 0.0025641 k( 235) = ( 0.0909091 0.5000000 0.5000000), wk = 0.0025641 k( 236) = ( 0.1022727 0.5000000 0.5000000), wk = 0.0025641 k( 237) = ( 0.1136364 0.5000000 0.5000000), wk = 0.0025641 k( 238) = ( 0.1250000 0.5000000 0.5000000), wk = 0.0025641 k( 239) = ( 0.1363636 0.5000000 0.5000000), wk = 0.0025641 k( 240) = ( 0.1477273 0.5000000 0.5000000), wk = 0.0025641 k( 241) = ( 0.1590909 0.5000000 0.5000000), wk = 0.0025641 k( 242) = ( 0.1704546 0.5000000 0.5000000), wk = 0.0025641 k( 243) = ( 0.1818182 0.5000000 0.5000000), wk = 0.0025641 k( 244) = ( 0.1931818 0.5000000 0.5000000), wk = 0.0025641 k( 245) = ( 0.2045454 0.5000000 0.5000000), wk = 0.0025641 k( 246) = ( 0.2159091 0.5000000 0.5000000), wk = 0.0025641 k( 247) = ( 0.2272727 0.5000000 0.5000000), wk = 0.0025641 k( 248) = ( 0.2386364 0.5000000 0.5000000), wk = 0.0025641 k( 249) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0025641 k( 250) = ( 0.2613636 0.5000000 0.5000000), wk = 0.0025641 k( 251) = ( 0.2727273 0.5000000 0.5000000), wk = 0.0025641 k( 252) = ( 0.2840909 0.5000000 0.5000000), wk = 0.0025641 k( 253) = ( 0.2954545 0.5000000 0.5000000), wk = 0.0025641 k( 254) = ( 0.3068182 0.5000000 0.5000000), wk = 0.0025641 k( 255) = ( 0.3181818 0.5000000 0.5000000), wk = 0.0025641 k( 256) = ( 0.3295455 0.5000000 0.5000000), wk = 0.0025641 k( 257) = ( 0.3409091 0.5000000 0.5000000), wk = 0.0025641 k( 258) = ( 0.3522727 0.5000000 0.5000000), wk = 0.0025641 k( 259) = ( 0.3636364 0.5000000 0.5000000), wk = 0.0025641 k( 260) = ( 0.3750000 0.5000000 0.5000000), wk = 0.0025641 k( 261) = ( 0.3863636 0.5000000 0.5000000), wk = 0.0025641 k( 262) = ( 0.3977273 0.5000000 0.5000000), wk = 0.0025641 k( 263) = ( 0.4090909 0.5000000 0.5000000), wk = 0.0025641 k( 264) = ( 0.4204545 0.5000000 0.5000000), wk = 0.0025641 k( 265) = ( 0.4318182 0.5000000 0.5000000), wk = 0.0025641 k( 266) = ( 0.4431818 0.5000000 0.5000000), wk = 0.0025641 k( 267) = ( 0.4545455 0.5000000 0.5000000), wk = 0.0025641 k( 268) = ( 0.4659091 0.5000000 0.5000000), wk = 0.0025641 k( 269) = ( 0.4772727 0.5000000 0.5000000), wk = 0.0025641 k( 270) = ( 0.4886364 0.5000000 0.5000000), wk = 0.0025641 k( 271) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025641 k( 272) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025641 k( 273) = ( 0.4919355 0.4919355 0.5000000), wk = 0.0025641 k( 274) = ( 0.4838710 0.4838710 0.5000000), wk = 0.0025641 k( 275) = ( 0.4758064 0.4758064 0.5000000), wk = 0.0025641 k( 276) = ( 0.4677419 0.4677419 0.5000000), wk = 0.0025641 k( 277) = ( 0.4596774 0.4596774 0.5000000), wk = 0.0025641 k( 278) = ( 0.4516129 0.4516129 0.5000000), wk = 0.0025641 k( 279) = ( 0.4435484 0.4435484 0.5000000), wk = 0.0025641 k( 280) = ( 0.4354839 0.4354839 0.5000000), wk = 0.0025641 k( 281) = ( 0.4274193 0.4274193 0.5000000), wk = 0.0025641 k( 282) = ( 0.4193548 0.4193548 0.5000000), wk = 0.0025641 k( 283) = ( 0.4112903 0.4112903 0.5000000), wk = 0.0025641 k( 284) = ( 0.4032258 0.4032258 0.5000000), wk = 0.0025641 k( 285) = ( 0.3951613 0.3951613 0.5000000), wk = 0.0025641 k( 286) = ( 0.3870968 0.3870968 0.5000000), wk = 0.0025641 k( 287) = ( 0.3790323 0.3790323 0.5000000), wk = 0.0025641 k( 288) = ( 0.3709677 0.3709677 0.5000000), wk = 0.0025641 k( 289) = ( 0.3629032 0.3629032 0.5000000), wk = 0.0025641 k( 290) = ( 0.3548387 0.3548387 0.5000000), wk = 0.0025641 k( 291) = ( 0.3467742 0.3467742 0.5000000), wk = 0.0025641 k( 292) = ( 0.3387097 0.3387097 0.5000000), wk = 0.0025641 k( 293) = ( 0.3306452 0.3306452 0.5000000), wk = 0.0025641 k( 294) = ( 0.3225807 0.3225807 0.5000000), wk = 0.0025641 k( 295) = ( 0.3145161 0.3145161 0.5000000), wk = 0.0025641 k( 296) = ( 0.3064516 0.3064516 0.5000000), wk = 0.0025641 k( 297) = ( 0.2983871 0.2983871 0.5000000), wk = 0.0025641 k( 298) = ( 0.2903226 0.2903226 0.5000000), wk = 0.0025641 k( 299) = ( 0.2822581 0.2822581 0.5000000), wk = 0.0025641 k( 300) = ( 0.2741936 0.2741936 0.5000000), wk = 0.0025641 k( 301) = ( 0.2661290 0.2661290 0.5000000), wk = 0.0025641 k( 302) = ( 0.2580645 0.2580645 0.5000000), wk = 0.0025641 k( 303) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0025641 k( 304) = ( 0.2419355 0.2419355 0.5000000), wk = 0.0025641 k( 305) = ( 0.2338710 0.2338710 0.5000000), wk = 0.0025641 k( 306) = ( 0.2258064 0.2258064 0.5000000), wk = 0.0025641 k( 307) = ( 0.2177419 0.2177419 0.5000000), wk = 0.0025641 k( 308) = ( 0.2096774 0.2096774 0.5000000), wk = 0.0025641 k( 309) = ( 0.2016129 0.2016129 0.5000000), wk = 0.0025641 k( 310) = ( 0.1935484 0.1935484 0.5000000), wk = 0.0025641 k( 311) = ( 0.1854839 0.1854839 0.5000000), wk = 0.0025641 k( 312) = ( 0.1774194 0.1774194 0.5000000), wk = 0.0025641 k( 313) = ( 0.1693548 0.1693548 0.5000000), wk = 0.0025641 k( 314) = ( 0.1612903 0.1612903 0.5000000), wk = 0.0025641 k( 315) = ( 0.1532258 0.1532258 0.5000000), wk = 0.0025641 k( 316) = ( 0.1451613 0.1451613 0.5000000), wk = 0.0025641 k( 317) = ( 0.1370968 0.1370968 0.5000000), wk = 0.0025641 k( 318) = ( 0.1290323 0.1290323 0.5000000), wk = 0.0025641 k( 319) = ( 0.1209677 0.1209677 0.5000000), wk = 0.0025641 k( 320) = ( 0.1129032 0.1129032 0.5000000), wk = 0.0025641 k( 321) = ( 0.1048387 0.1048387 0.5000000), wk = 0.0025641 k( 322) = ( 0.0967742 0.0967742 0.5000000), wk = 0.0025641 k( 323) = ( 0.0887097 0.0887097 0.5000000), wk = 0.0025641 k( 324) = ( 0.0806452 0.0806452 0.5000000), wk = 0.0025641 k( 325) = ( 0.0725806 0.0725806 0.5000000), wk = 0.0025641 k( 326) = ( 0.0645161 0.0645161 0.5000000), wk = 0.0025641 k( 327) = ( 0.0564516 0.0564516 0.5000000), wk = 0.0025641 k( 328) = ( 0.0483871 0.0483871 0.5000000), wk = 0.0025641 k( 329) = ( 0.0403226 0.0403226 0.5000000), wk = 0.0025641 k( 330) = ( 0.0322581 0.0322581 0.5000000), wk = 0.0025641 k( 331) = ( 0.0241936 0.0241936 0.5000000), wk = 0.0025641 k( 332) = ( 0.0161290 0.0161290 0.5000000), wk = 0.0025641 k( 333) = ( 0.0080645 0.0080645 0.5000000), wk = 0.0025641 k( 334) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025641 k( 335) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0025641 k( 336) = ( 0.0000000 0.5000000 0.0185185), wk = 0.0025641 k( 337) = ( 0.0000000 0.5000000 0.0370370), wk = 0.0025641 k( 338) = ( 0.0000000 0.5000000 0.0555556), wk = 0.0025641 k( 339) = ( 0.0000000 0.5000000 0.0740741), wk = 0.0025641 k( 340) = ( 0.0000000 0.5000000 0.0925926), wk = 0.0025641 k( 341) = ( 0.0000000 0.5000000 0.1111111), wk = 0.0025641 k( 342) = ( 0.0000000 0.5000000 0.1296296), wk = 0.0025641 k( 343) = ( 0.0000000 0.5000000 0.1481482), wk = 0.0025641 k( 344) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0025641 k( 345) = ( 0.0000000 0.5000000 0.1851852), wk = 0.0025641 k( 346) = ( 0.0000000 0.5000000 0.2037037), wk = 0.0025641 k( 347) = ( 0.0000000 0.5000000 0.2222222), wk = 0.0025641 k( 348) = ( 0.0000000 0.5000000 0.2407407), wk = 0.0025641 k( 349) = ( 0.0000000 0.5000000 0.2592593), wk = 0.0025641 k( 350) = ( 0.0000000 0.5000000 0.2777778), wk = 0.0025641 k( 351) = ( 0.0000000 0.5000000 0.2962963), wk = 0.0025641 k( 352) = ( 0.0000000 0.5000000 0.3148148), wk = 0.0025641 k( 353) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0025641 k( 354) = ( 0.0000000 0.5000000 0.3518519), wk = 0.0025641 k( 355) = ( 0.0000000 0.5000000 0.3703704), wk = 0.0025641 k( 356) = ( 0.0000000 0.5000000 0.3888889), wk = 0.0025641 k( 357) = ( 0.0000000 0.5000000 0.4074074), wk = 0.0025641 k( 358) = ( 0.0000000 0.5000000 0.4259259), wk = 0.0025641 k( 359) = ( 0.0000000 0.5000000 0.4444444), wk = 0.0025641 k( 360) = ( 0.0000000 0.5000000 0.4629630), wk = 0.0025641 k( 361) = ( 0.0000000 0.5000000 0.4814815), wk = 0.0025641 k( 362) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025641 k( 363) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0025641 k( 364) = ( 0.5000000 0.5000000 0.0185185), wk = 0.0025641 k( 365) = ( 0.5000000 0.5000000 0.0370370), wk = 0.0025641 k( 366) = ( 0.5000000 0.5000000 0.0555556), wk = 0.0025641 k( 367) = ( 0.5000000 0.5000000 0.0740741), wk = 0.0025641 k( 368) = ( 0.5000000 0.5000000 0.0925926), wk = 0.0025641 k( 369) = ( 0.5000000 0.5000000 0.1111111), wk = 0.0025641 k( 370) = ( 0.5000000 0.5000000 0.1296296), wk = 0.0025641 k( 371) = ( 0.5000000 0.5000000 0.1481482), wk = 0.0025641 k( 372) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0025641 k( 373) = ( 0.5000000 0.5000000 0.1851852), wk = 0.0025641 k( 374) = ( 0.5000000 0.5000000 0.2037037), wk = 0.0025641 k( 375) = ( 0.5000000 0.5000000 0.2222222), wk = 0.0025641 k( 376) = ( 0.5000000 0.5000000 0.2407407), wk = 0.0025641 k( 377) = ( 0.5000000 0.5000000 0.2592593), wk = 0.0025641 k( 378) = ( 0.5000000 0.5000000 0.2777778), wk = 0.0025641 k( 379) = ( 0.5000000 0.5000000 0.2962963), wk = 0.0025641 k( 380) = ( 0.5000000 0.5000000 0.3148148), wk = 0.0025641 k( 381) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0025641 k( 382) = ( 0.5000000 0.5000000 0.3518519), wk = 0.0025641 k( 383) = ( 0.5000000 0.5000000 0.3703704), wk = 0.0025641 k( 384) = ( 0.5000000 0.5000000 0.3888889), wk = 0.0025641 k( 385) = ( 0.5000000 0.5000000 0.4074074), wk = 0.0025641 k( 386) = ( 0.5000000 0.5000000 0.4259259), wk = 0.0025641 k( 387) = ( 0.5000000 0.5000000 0.4444444), wk = 0.0025641 k( 388) = ( 0.5000000 0.5000000 0.4629630), wk = 0.0025641 k( 389) = ( 0.5000000 0.5000000 0.4814815), wk = 0.0025641 k( 390) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025641 Dense grid: 32859 G-vectors FFT dimensions: ( 36, 36, 60) Smooth grid: 22305 G-vectors FFT dimensions: ( 30, 30, 50) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.14 Mb ( 182, 50) NL pseudopotentials 0.23 Mb ( 91, 164) Each V/rho on FFT grid 0.04 Mb ( 2592) Each G-vector array 0.01 Mb ( 917) G-vector shells 0.00 Mb ( 471) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.56 Mb ( 182, 200) Each subspace H/S matrix 0.04 Mb ( 50, 50) Each matrix 0.25 Mb ( 164, 2, 50) The potential is recalculated from file : ./Fe2As.save/charge-density.dat Starting wfc are 88 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.8 secs Computing kpt #: 2 total cpu time spent up to now is 3.1 secs Computing kpt #: 3 total cpu time spent up to now is 3.4 secs Computing kpt #: 4 total cpu time spent up to now is 3.8 secs Computing kpt #: 5 total cpu time spent up to now is 4.1 secs Computing kpt #: 6 total cpu time spent up to now is 4.5 secs Computing kpt #: 7 total cpu time spent up to now is 4.8 secs Computing kpt #: 8 total cpu time spent up to now is 5.1 secs Computing kpt #: 9 total cpu time spent up to now is 5.5 secs Computing kpt #: 10 total cpu time spent up to now is 5.8 secs Computing kpt #: 11 total cpu time spent up to now is 6.1 secs Computing kpt #: 12 total cpu time spent up to now is 6.5 secs Computing kpt #: 13 total cpu time spent up to now is 6.9 secs Computing kpt #: 14 total cpu time spent up to now is 7.2 secs Computing kpt #: 15 total cpu time spent up to now is 7.5 secs Computing kpt #: 16 total cpu time spent up to now is 7.9 secs Computing kpt #: 17 total cpu time spent up to now is 8.3 secs Computing kpt #: 18 total cpu time spent up to now is 8.7 secs Computing kpt #: 19 total cpu time spent up to now is 9.1 secs Computing kpt #: 20 total cpu time spent up to now is 9.5 secs Computing kpt #: 21 total cpu time spent up to now is 9.9 secs Computing kpt #: 22 total cpu time spent up to now is 10.3 secs Computing kpt #: 23 total cpu time spent up to now is 10.7 secs Computing kpt #: 24 total cpu time spent up to now is 11.1 secs Computing kpt #: 25 total cpu time spent up to now is 11.5 secs Computing kpt #: 26 total cpu time spent up to now is 11.8 secs Computing kpt #: 27 total cpu time spent up to now is 12.2 secs Computing kpt #: 28 total cpu time spent up to now is 12.5 secs Computing kpt #: 29 total cpu time spent up to now is 12.9 secs Computing kpt #: 30 total cpu time spent up to now is 13.2 secs Computing kpt #: 31 total cpu time spent up to now is 13.6 secs Computing kpt #: 32 total cpu time spent up to now is 13.9 secs Computing kpt #: 33 total cpu time spent up to now is 14.3 secs Computing kpt #: 34 total cpu time spent up to now is 14.6 secs Computing kpt #: 35 total cpu time spent up to now is 15.0 secs Computing kpt #: 36 total cpu time spent up to now is 15.4 secs Computing kpt #: 37 total cpu time spent up to now is 15.7 secs Computing kpt #: 38 total cpu time spent up to now is 16.1 secs Computing kpt #: 39 total cpu time spent up to now is 16.5 secs Computing kpt #: 40 total cpu time spent up to now is 17.3 secs Computing kpt #: 41 total cpu time spent up to now is 17.7 secs Computing kpt #: 42 total cpu time spent up to now is 18.1 secs Computing kpt #: 43 total cpu time spent up to now is 18.5 secs Computing kpt #: 44 total cpu time spent up to now is 19.0 secs Computing kpt #: 45 total cpu time spent up to now is 19.3 secs Computing kpt #: 46 total cpu time spent up to now is 19.7 secs Computing kpt #: 47 total cpu time spent up to now is 20.2 secs Computing kpt #: 48 total cpu time spent up to now is 20.7 secs Computing kpt #: 49 total cpu time spent up to now is 21.1 secs Computing kpt #: 50 total cpu time spent up to now is 21.7 secs Computing kpt #: 51 total cpu time spent up to now is 22.2 secs Computing kpt #: 52 total cpu time spent up to now is 22.8 secs Computing kpt #: 53 total cpu time spent up to now is 23.4 secs Computing kpt #: 54 total cpu time spent up to now is 24.0 secs Computing kpt #: 55 total cpu time spent up to now is 24.6 secs Computing kpt #: 56 total cpu time spent up to now is 25.2 secs Computing kpt #: 57 total cpu time spent up to now is 25.8 secs Computing kpt #: 58 total cpu time spent up to now is 26.5 secs Computing kpt #: 59 total cpu time spent up to now is 27.2 secs Computing kpt #: 60 total cpu time spent up to now is 27.8 secs Computing kpt #: 61 total cpu time spent up to now is 28.6 secs Computing kpt #: 62 total cpu time spent up to now is 29.0 secs Computing kpt #: 63 total cpu time spent up to now is 29.4 secs Computing kpt #: 64 total cpu time spent up to now is 30.0 secs Computing kpt #: 65 total cpu time spent up to now is 30.4 secs Computing kpt #: 66 total cpu time spent up to now is 30.9 secs Computing kpt #: 67 total cpu time spent up to now is 31.3 secs Computing kpt #: 68 total cpu time spent up to now is 31.7 secs Computing kpt #: 69 total cpu time spent up to now is 32.1 secs Computing kpt #: 70 total cpu time spent up to now is 32.5 secs Computing kpt #: 71 total cpu time spent up to now is 32.9 secs Computing kpt #: 72 total cpu time spent up to now is 33.3 secs Computing kpt #: 73 total cpu time spent up to now is 33.7 secs Computing kpt #: 74 total cpu time spent up to now is 34.1 secs Computing kpt #: 75 total cpu time spent up to now is 34.5 secs Computing kpt #: 76 total cpu time spent up to now is 34.9 secs Computing kpt #: 77 total cpu time spent up to now is 35.4 secs Computing kpt #: 78 total cpu time spent up to now is 35.8 secs Computing kpt #: 79 total cpu time spent up to now is 36.2 secs Computing kpt #: 80 total cpu time spent up to now is 36.7 secs Computing kpt #: 81 total cpu time spent up to now is 37.2 secs Computing kpt #: 82 total cpu time spent up to now is 37.6 secs Computing kpt #: 83 total cpu time spent up to now is 38.0 secs Computing kpt #: 84 total cpu time spent up to now is 38.5 secs Computing kpt #: 85 total cpu time spent up to now is 38.9 secs Computing kpt #: 86 total cpu time spent up to now is 39.3 secs Computing kpt #: 87 total cpu time spent up to now is 39.8 secs Computing kpt #: 88 total cpu time spent up to now is 40.2 secs Computing kpt #: 89 total cpu time spent up to now is 40.7 secs Computing kpt #: 90 total cpu time spent up to now is 41.1 secs Computing kpt #: 91 total cpu time spent up to now is 41.5 secs Computing kpt #: 92 total cpu time spent up to now is 41.9 secs Computing kpt #: 93 total cpu time spent up to now is 42.4 secs Computing kpt #: 94 total cpu time spent up to now is 42.8 secs Computing kpt #: 95 total cpu time spent up to now is 43.2 secs Computing kpt #: 96 total cpu time spent up to now is 43.6 secs Computing kpt #: 97 total cpu time spent up to now is 44.0 secs Computing kpt #: 98 total cpu time spent up to now is 44.4 secs Computing kpt #: 99 total cpu time spent up to now is 44.8 secs Computing kpt #: 100 total cpu time spent up to now is 45.2 secs Computing kpt #: 101 total cpu time spent up to now is 45.6 secs Computing kpt #: 102 total cpu time spent up to now is 46.1 secs Computing kpt #: 103 total cpu time spent up to now is 46.5 secs Computing kpt #: 104 total cpu time spent up to now is 47.0 secs Computing kpt #: 105 total cpu time spent up to now is 47.5 secs Computing kpt #: 106 total cpu time spent up to now is 47.9 secs Computing kpt #: 107 total cpu time spent up to now is 48.3 secs Computing kpt #: 108 total cpu time spent up to now is 48.9 secs Computing kpt #: 109 total cpu time spent up to now is 49.5 secs Computing kpt #: 110 total cpu time spent up to now is 50.1 secs Computing kpt #: 111 total cpu time spent up to now is 50.8 secs Computing kpt #: 112 total cpu time spent up to now is 51.3 secs Computing kpt #: 113 total cpu time spent up to now is 51.6 secs Computing kpt #: 114 total cpu time spent up to now is 52.0 secs Computing kpt #: 115 total cpu time spent up to now is 52.4 secs Computing kpt #: 116 total cpu time spent up to now is 52.8 secs Computing kpt #: 117 total cpu time spent up to now is 53.2 secs Computing kpt #: 118 total cpu time spent up to now is 53.6 secs Computing kpt #: 119 total cpu time spent up to now is 54.0 secs Computing kpt #: 120 total cpu time spent up to now is 54.4 secs Computing kpt #: 121 total cpu time spent up to now is 54.7 secs Computing kpt #: 122 total cpu time spent up to now is 55.0 secs Computing kpt #: 123 total cpu time spent up to now is 55.4 secs Computing kpt #: 124 total cpu time spent up to now is 55.8 secs Computing kpt #: 125 total cpu time spent up to now is 56.1 secs Computing kpt #: 126 total cpu time spent up to now is 56.4 secs Computing kpt #: 127 total cpu time spent up to now is 56.8 secs Computing kpt #: 128 total cpu time spent up to now is 57.1 secs Computing kpt #: 129 total cpu time spent up to now is 57.5 secs Computing kpt #: 130 total cpu time spent up to now is 57.9 secs Computing kpt #: 131 total cpu time spent up to now is 58.2 secs Computing kpt #: 132 total cpu time spent up to now is 58.6 secs Computing kpt #: 133 total cpu time spent up to now is 59.0 secs Computing kpt #: 134 total cpu time spent up to now is 59.3 secs Computing kpt #: 135 total cpu time spent up to now is 59.7 secs Computing kpt #: 136 total cpu time spent up to now is 60.1 secs Computing kpt #: 137 total cpu time spent up to now is 60.4 secs Computing kpt #: 138 total cpu time spent up to now is 60.8 secs Computing kpt #: 139 total cpu time spent up to now is 61.1 secs Computing kpt #: 140 total cpu time spent up to now is 61.5 secs Computing kpt #: 141 total cpu time spent up to now is 61.8 secs Computing kpt #: 142 total cpu time spent up to now is 62.2 secs Computing kpt #: 143 total cpu time spent up to now is 62.5 secs Computing kpt #: 144 total cpu time spent up to now is 62.9 secs Computing kpt #: 145 total cpu time spent up to now is 63.3 secs Computing kpt #: 146 total cpu time spent up to now is 63.6 secs Computing kpt #: 147 total cpu time spent up to now is 63.9 secs Computing kpt #: 148 total cpu time spent up to now is 64.3 secs Computing kpt #: 149 total cpu time spent up to now is 64.6 secs Computing kpt #: 150 total cpu time spent up to now is 65.0 secs Computing kpt #: 151 total cpu time spent up to now is 65.3 secs Computing kpt #: 152 total cpu time spent up to now is 65.6 secs Computing kpt #: 153 total cpu time spent up to now is 66.0 secs Computing kpt #: 154 total cpu time spent up to now is 66.3 secs Computing kpt #: 155 total cpu time spent up to now is 66.6 secs Computing kpt #: 156 total cpu time spent up to now is 67.0 secs Computing kpt #: 157 total cpu time spent up to now is 67.3 secs Computing kpt #: 158 total cpu time spent up to now is 67.7 secs Computing kpt #: 159 total cpu time spent up to now is 68.0 secs Computing kpt #: 160 total cpu time spent up to now is 68.3 secs Computing kpt #: 161 total cpu time spent up to now is 68.7 secs Computing kpt #: 162 total cpu time spent up to now is 69.0 secs Computing kpt #: 163 total cpu time spent up to now is 69.3 secs Computing kpt #: 164 total cpu time spent up to now is 69.7 secs Computing kpt #: 165 total cpu time spent up to now is 70.0 secs Computing kpt #: 166 total cpu time spent up to now is 70.4 secs Computing kpt #: 167 total cpu time spent up to now is 70.7 secs Computing kpt #: 168 total cpu time spent up to now is 71.1 secs Computing kpt #: 169 total cpu time spent up to now is 71.4 secs Computing kpt #: 170 total cpu time spent up to now is 71.8 secs Computing kpt #: 171 total cpu time spent up to now is 72.1 secs Computing kpt #: 172 total cpu time spent up to now is 72.5 secs Computing kpt #: 173 total cpu time spent up to now is 72.8 secs Computing kpt #: 174 total cpu time spent up to now is 73.2 secs Computing kpt #: 175 total cpu time spent up to now is 73.5 secs Computing kpt #: 176 total cpu time spent up to now is 73.9 secs Computing kpt #: 177 total cpu time spent up to now is 74.3 secs Computing kpt #: 178 total cpu time spent up to now is 74.7 secs Computing kpt #: 179 total cpu time spent up to now is 75.1 secs Computing kpt #: 180 total cpu time spent up to now is 75.5 secs Computing kpt #: 181 total cpu time spent up to now is 76.0 secs Computing kpt #: 182 total cpu time spent up to now is 76.4 secs Computing kpt #: 183 total cpu time spent up to now is 76.8 secs Computing kpt #: 184 total cpu time spent up to now is 77.4 secs Computing kpt #: 185 total cpu time spent up to now is 78.0 secs Computing kpt #: 186 total cpu time spent up to now is 78.9 secs Computing kpt #: 187 total cpu time spent up to now is 79.4 secs Computing kpt #: 188 total cpu time spent up to now is 79.8 secs Computing kpt #: 189 total cpu time spent up to now is 80.2 secs Computing kpt #: 190 total cpu time spent up to now is 80.5 secs Computing kpt #: 191 total cpu time spent up to now is 80.9 secs Computing kpt #: 192 total cpu time spent up to now is 81.2 secs Computing kpt #: 193 total cpu time spent up to now is 81.6 secs Computing kpt #: 194 total cpu time spent up to now is 82.0 secs Computing kpt #: 195 total cpu time spent up to now is 82.4 secs Computing kpt #: 196 total cpu time spent up to now is 82.7 secs Computing kpt #: 197 total cpu time spent up to now is 83.0 secs Computing kpt #: 198 total cpu time spent up to now is 83.4 secs Computing kpt #: 199 total cpu time spent up to now is 83.7 secs Computing kpt #: 200 total cpu time spent up to now is 84.0 secs Computing kpt #: 201 total cpu time spent up to now is 84.4 secs Computing kpt #: 202 total cpu time spent up to now is 84.7 secs Computing kpt #: 203 total cpu time spent up to now is 85.0 secs Computing kpt #: 204 total cpu time spent up to now is 85.3 secs Computing kpt #: 205 total cpu time spent up to now is 85.7 secs Computing kpt #: 206 total cpu time spent up to now is 86.0 secs Computing kpt #: 207 total cpu time spent up to now is 86.3 secs Computing kpt #: 208 total cpu time spent up to now is 86.7 secs Computing kpt #: 209 total cpu time spent up to now is 87.0 secs Computing kpt #: 210 total cpu time spent up to now is 87.3 secs Computing kpt #: 211 total cpu time spent up to now is 87.7 secs Computing kpt #: 212 total cpu time spent up to now is 88.0 secs Computing kpt #: 213 total cpu time spent up to now is 88.3 secs Computing kpt #: 214 total cpu time spent up to now is 88.7 secs Computing kpt #: 215 total cpu time spent up to now is 89.0 secs Computing kpt #: 216 total cpu time spent up to now is 89.4 secs Computing kpt #: 217 total cpu time spent up to now is 89.8 secs Computing kpt #: 218 total cpu time spent up to now is 90.1 secs Computing kpt #: 219 total cpu time spent up to now is 90.5 secs Computing kpt #: 220 total cpu time spent up to now is 91.0 secs Computing kpt #: 221 total cpu time spent up to now is 91.4 secs Computing kpt #: 222 total cpu time spent up to now is 91.8 secs Computing kpt #: 223 total cpu time spent up to now is 92.2 secs Computing kpt #: 224 total cpu time spent up to now is 92.7 secs Computing kpt #: 225 total cpu time spent up to now is 93.3 secs Computing kpt #: 226 total cpu time spent up to now is 93.7 secs Computing kpt #: 227 total cpu time spent up to now is 94.1 secs Computing kpt #: 228 total cpu time spent up to now is 94.5 secs Computing kpt #: 229 total cpu time spent up to now is 95.3 secs Computing kpt #: 230 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 96.4 secs Computing kpt #: 231 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 97.6 secs Computing kpt #: 232 total cpu time spent up to now is 98.3 secs Computing kpt #: 233 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 99.5 secs Computing kpt #: 234 total cpu time spent up to now is 100.1 secs Computing kpt #: 235 total cpu time spent up to now is 100.9 secs Computing kpt #: 236 total cpu time spent up to now is 101.7 secs Computing kpt #: 237 total cpu time spent up to now is 102.3 secs Computing kpt #: 238 total cpu time spent up to now is 103.2 secs Computing kpt #: 239 total cpu time spent up to now is 103.8 secs Computing kpt #: 240 total cpu time spent up to now is 104.4 secs Computing kpt #: 241 total cpu time spent up to now is 104.9 secs Computing kpt #: 242 total cpu time spent up to now is 105.4 secs Computing kpt #: 243 total cpu time spent up to now is 105.9 secs Computing kpt #: 244 total cpu time spent up to now is 106.4 secs Computing kpt #: 245 total cpu time spent up to now is 106.8 secs Computing kpt #: 246 total cpu time spent up to now is 107.3 secs Computing kpt #: 247 total cpu time spent up to now is 107.8 secs Computing kpt #: 248 total cpu time spent up to now is 108.2 secs Computing kpt #: 249 total cpu time spent up to now is 108.7 secs Computing kpt #: 250 total cpu time spent up to now is 109.1 secs Computing kpt #: 251 total cpu time spent up to now is 109.6 secs Computing kpt #: 252 total cpu time spent up to now is 110.0 secs Computing kpt #: 253 total cpu time spent up to now is 110.4 secs Computing kpt #: 254 total cpu time spent up to now is 110.9 secs Computing kpt #: 255 total cpu time spent up to now is 111.3 secs Computing kpt #: 256 total cpu time spent up to now is 111.7 secs Computing kpt #: 257 total cpu time spent up to now is 112.2 secs Computing kpt #: 258 total cpu time spent up to now is 112.7 secs Computing kpt #: 259 total cpu time spent up to now is 113.1 secs Computing kpt #: 260 total cpu time spent up to now is 113.5 secs Computing kpt #: 261 total cpu time spent up to now is 114.0 secs Computing kpt #: 262 total cpu time spent up to now is 114.5 secs Computing kpt #: 263 total cpu time spent up to now is 114.9 secs Computing kpt #: 264 total cpu time spent up to now is 115.4 secs Computing kpt #: 265 total cpu time spent up to now is 115.9 secs Computing kpt #: 266 total cpu time spent up to now is 116.3 secs Computing kpt #: 267 total cpu time spent up to now is 116.8 secs Computing kpt #: 268 total cpu time spent up to now is 117.3 secs Computing kpt #: 269 total cpu time spent up to now is 117.8 secs Computing kpt #: 270 total cpu time spent up to now is 118.2 secs Computing kpt #: 271 total cpu time spent up to now is 118.6 secs Computing kpt #: 272 total cpu time spent up to now is 119.0 secs Computing kpt #: 273 total cpu time spent up to now is 119.5 secs Computing kpt #: 274 total cpu time spent up to now is 120.0 secs Computing kpt #: 275 total cpu time spent up to now is 120.4 secs Computing kpt #: 276 total cpu time spent up to now is 120.9 secs Computing kpt #: 277 total cpu time spent up to now is 121.3 secs Computing kpt #: 278 total cpu time spent up to now is 121.8 secs Computing kpt #: 279 total cpu time spent up to now is 122.2 secs Computing kpt #: 280 total cpu time spent up to now is 122.6 secs Computing kpt #: 281 total cpu time spent up to now is 123.0 secs Computing kpt #: 282 total cpu time spent up to now is 123.4 secs Computing kpt #: 283 total cpu time spent up to now is 123.8 secs Computing kpt #: 284 total cpu time spent up to now is 124.2 secs Computing kpt #: 285 total cpu time spent up to now is 124.6 secs Computing kpt #: 286 total cpu time spent up to now is 125.0 secs Computing kpt #: 287 total cpu time spent up to now is 125.3 secs Computing kpt #: 288 total cpu time spent up to now is 125.7 secs Computing kpt #: 289 total cpu time spent up to now is 126.1 secs Computing kpt #: 290 total cpu time spent up to now is 126.5 secs Computing kpt #: 291 total cpu time spent up to now is 126.9 secs Computing kpt #: 292 total cpu time spent up to now is 127.3 secs Computing kpt #: 293 total cpu time spent up to now is 127.6 secs Computing kpt #: 294 total cpu time spent up to now is 128.0 secs Computing kpt #: 295 total cpu time spent up to now is 128.3 secs Computing kpt #: 296 total cpu time spent up to now is 128.6 secs Computing kpt #: 297 total cpu time spent up to now is 129.0 secs Computing kpt #: 298 total cpu time spent up to now is 129.3 secs Computing kpt #: 299 total cpu time spent up to now is 129.6 secs Computing kpt #: 300 total cpu time spent up to now is 130.0 secs Computing kpt #: 301 total cpu time spent up to now is 130.3 secs Computing kpt #: 302 total cpu time spent up to now is 130.6 secs Computing kpt #: 303 total cpu time spent up to now is 131.0 secs Computing kpt #: 304 total cpu time spent up to now is 131.4 secs Computing kpt #: 305 total cpu time spent up to now is 131.7 secs Computing kpt #: 306 total cpu time spent up to now is 132.0 secs Computing kpt #: 307 total cpu time spent up to now is 132.4 secs Computing kpt #: 308 total cpu time spent up to now is 132.8 secs Computing kpt #: 309 total cpu time spent up to now is 133.3 secs Computing kpt #: 310 total cpu time spent up to now is 134.0 secs Computing kpt #: 311 total cpu time spent up to now is 134.4 secs Computing kpt #: 312 total cpu time spent up to now is 134.9 secs Computing kpt #: 313 total cpu time spent up to now is 135.2 secs Computing kpt #: 314 total cpu time spent up to now is 135.6 secs Computing kpt #: 315 total cpu time spent up to now is 135.9 secs Computing kpt #: 316 total cpu time spent up to now is 136.3 secs Computing kpt #: 317 total cpu time spent up to now is 136.6 secs Computing kpt #: 318 total cpu time spent up to now is 136.9 secs Computing kpt #: 319 total cpu time spent up to now is 137.3 secs Computing kpt #: 320 total cpu time spent up to now is 137.6 secs Computing kpt #: 321 total cpu time spent up to now is 138.0 secs Computing kpt #: 322 total cpu time spent up to now is 138.3 secs Computing kpt #: 323 total cpu time spent up to now is 138.7 secs Computing kpt #: 324 total cpu time spent up to now is 139.1 secs Computing kpt #: 325 total cpu time spent up to now is 139.5 secs Computing kpt #: 326 total cpu time spent up to now is 140.0 secs Computing kpt #: 327 total cpu time spent up to now is 140.4 secs Computing kpt #: 328 total cpu time spent up to now is 140.8 secs Computing kpt #: 329 total cpu time spent up to now is 141.4 secs Computing kpt #: 330 total cpu time spent up to now is 142.1 secs Computing kpt #: 331 total cpu time spent up to now is 142.5 secs Computing kpt #: 332 total cpu time spent up to now is 143.1 secs Computing kpt #: 333 total cpu time spent up to now is 143.5 secs Computing kpt #: 334 total cpu time spent up to now is 143.9 secs Computing kpt #: 335 total cpu time spent up to now is 144.3 secs Computing kpt #: 336 total cpu time spent up to now is 144.6 secs Computing kpt #: 337 total cpu time spent up to now is 145.0 secs Computing kpt #: 338 total cpu time spent up to now is 145.3 secs Computing kpt #: 339 total cpu time spent up to now is 145.6 secs Computing kpt #: 340 total cpu time spent up to now is 146.0 secs Computing kpt #: 341 total cpu time spent up to now is 146.3 secs Computing kpt #: 342 total cpu time spent up to now is 146.7 secs Computing kpt #: 343 total cpu time spent up to now is 147.1 secs Computing kpt #: 344 total cpu time spent up to now is 147.4 secs Computing kpt #: 345 total cpu time spent up to now is 147.8 secs Computing kpt #: 346 total cpu time spent up to now is 148.1 secs Computing kpt #: 347 total cpu time spent up to now is 148.4 secs Computing kpt #: 348 total cpu time spent up to now is 148.8 secs Computing kpt #: 349 total cpu time spent up to now is 149.1 secs Computing kpt #: 350 total cpu time spent up to now is 149.4 secs Computing kpt #: 351 total cpu time spent up to now is 149.7 secs Computing kpt #: 352 total cpu time spent up to now is 150.1 secs Computing kpt #: 353 total cpu time spent up to now is 150.4 secs Computing kpt #: 354 total cpu time spent up to now is 150.8 secs Computing kpt #: 355 total cpu time spent up to now is 151.1 secs Computing kpt #: 356 total cpu time spent up to now is 151.5 secs Computing kpt #: 357 total cpu time spent up to now is 151.9 secs Computing kpt #: 358 total cpu time spent up to now is 152.3 secs Computing kpt #: 359 total cpu time spent up to now is 152.7 secs Computing kpt #: 360 total cpu time spent up to now is 153.1 secs Computing kpt #: 361 total cpu time spent up to now is 153.5 secs Computing kpt #: 362 total cpu time spent up to now is 153.9 secs Computing kpt #: 363 total cpu time spent up to now is 154.3 secs Computing kpt #: 364 total cpu time spent up to now is 154.7 secs Computing kpt #: 365 total cpu time spent up to now is 155.1 secs Computing kpt #: 366 total cpu time spent up to now is 155.5 secs Computing kpt #: 367 total cpu time spent up to now is 155.9 secs Computing kpt #: 368 total cpu time spent up to now is 156.3 secs Computing kpt #: 369 total cpu time spent up to now is 156.7 secs Computing kpt #: 370 total cpu time spent up to now is 157.1 secs Computing kpt #: 371 total cpu time spent up to now is 157.5 secs Computing kpt #: 372 total cpu time spent up to now is 157.9 secs Computing kpt #: 373 total cpu time spent up to now is 158.4 secs Computing kpt #: 374 total cpu time spent up to now is 158.8 secs Computing kpt #: 375 total cpu time spent up to now is 159.2 secs Computing kpt #: 376 total cpu time spent up to now is 159.6 secs Computing kpt #: 377 total cpu time spent up to now is 160.0 secs Computing kpt #: 378 total cpu time spent up to now is 160.3 secs Computing kpt #: 379 total cpu time spent up to now is 160.8 secs Computing kpt #: 380 total cpu time spent up to now is 161.2 secs Computing kpt #: 381 total cpu time spent up to now is 161.7 secs Computing kpt #: 382 total cpu time spent up to now is 162.1 secs Computing kpt #: 383 total cpu time spent up to now is 162.5 secs Computing kpt #: 384 total cpu time spent up to now is 163.0 secs Computing kpt #: 385 total cpu time spent up to now is 163.4 secs Computing kpt #: 386 total cpu time spent up to now is 163.8 secs Computing kpt #: 387 total cpu time spent up to now is 164.2 secs Computing kpt #: 388 total cpu time spent up to now is 164.6 secs Computing kpt #: 389 total cpu time spent up to now is 165.0 secs Computing kpt #: 390 total cpu time spent up to now is 165.4 secs ethr = 2.38E-08, avg # of iterations = 21.2 total cpu time spent up to now is 165.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2817 PWs) bands (ev): -1.4394 -1.4394 0.2368 0.2368 5.3964 5.3964 7.9201 7.9201 8.1951 8.1951 8.2546 8.2546 9.3700 9.3700 9.4067 9.4067 9.6652 9.6652 9.8276 9.8276 9.8454 9.8454 10.0130 10.0130 10.6979 10.6979 10.7287 10.7287 10.8152 10.8152 11.2749 11.2749 11.4646 11.4646 11.7100 11.7100 12.1302 12.1302 12.1982 12.1982 12.2333 12.2333 12.2830 12.2830 12.3243 12.3243 12.5502 12.5502 13.2894 13.2894 k = 0.0000 0.0114-0.0000 ( 2817 PWs) bands (ev): -1.4382 -1.4382 0.2374 0.2374 5.3977 5.3977 7.9203 7.9203 8.1938 8.1938 8.2535 8.2535 9.3523 9.3523 9.4073 9.4073 9.6715 9.6715 9.8241 9.8241 9.8529 9.8529 10.0130 10.0130 10.6976 10.6976 10.7284 10.7284 10.8153 10.8153 11.2747 11.2747 11.4678 11.4678 11.7094 11.7094 12.1300 12.1300 12.1978 12.1978 12.2330 12.2330 12.2826 12.2826 12.3242 12.3242 12.5498 12.5498 13.2886 13.2886 k = 0.0000 0.0227-0.0000 ( 2825 PWs) bands (ev): -1.4347 -1.4347 0.2391 0.2391 5.4016 5.4016 7.9208 7.9208 8.1896 8.1896 8.2500 8.2500 9.3054 9.3054 9.4090 9.4090 9.6831 9.6831 9.8178 9.8178 9.8724 9.8724 10.0132 10.0132 10.6966 10.6966 10.7275 10.7275 10.8155 10.8155 11.2738 11.2738 11.4771 11.4771 11.7078 11.7078 12.1294 12.1294 12.1967 12.1967 12.2317 12.2317 12.2813 12.2813 12.3239 12.3239 12.5487 12.5487 13.2863 13.2863 k = 0.0000 0.0341-0.0000 ( 2829 PWs) bands (ev): -1.4289 -1.4289 0.2420 0.2420 5.4080 5.4080 7.9213 7.9213 8.1820 8.1820 8.2455 8.2455 9.2401 9.2401 9.4118 9.4118 9.6885 9.6885 9.8104 9.8104 9.9030 9.9030 10.0136 10.0136 10.6949 10.6949 10.7260 10.7260 10.8159 10.8159 11.2724 11.2724 11.4922 11.4922 11.7050 11.7050 12.1283 12.1283 12.1953 12.1953 12.2297 12.2297 12.2794 12.2794 12.3234 12.3234 12.5468 12.5468 13.2825 13.2825 k = 0.0000 0.0455-0.0000 ( 2825 PWs) bands (ev): -1.4208 -1.4208 0.2460 0.2460 5.4170 5.4170 7.9220 7.9220 8.1697 8.1697 8.2410 8.2410 9.1636 9.1636 9.4156 9.4156 9.6837 9.6837 9.8018 9.8018 9.9420 9.9420 10.0152 10.0152 10.6927 10.6927 10.7240 10.7240 10.8167 10.8167 11.2706 11.2706 11.5124 11.5124 11.7012 11.7012 12.1268 12.1268 12.1941 12.1941 12.2270 12.2270 12.2770 12.2770 12.3227 12.3227 12.5444 12.5444 13.2775 13.2775 k = 0.0000 0.0568-0.0000 ( 2823 PWs) bands (ev): -1.4103 -1.4103 0.2511 0.2511 5.4286 5.4286 7.9222 7.9222 8.1520 8.1520 8.2372 8.2372 9.0799 9.0799 9.4205 9.4205 9.6699 9.6699 9.7917 9.7917 9.9807 9.9807 10.0226 10.0226 10.6899 10.6899 10.7214 10.7214 10.8178 10.8178 11.2680 11.2680 11.5369 11.5369 11.6964 11.6964 12.1249 12.1249 12.1937 12.1937 12.2231 12.2231 12.2740 12.2740 12.3218 12.3218 12.5416 12.5416 13.2713 13.2713 k = 0.0000 0.0682-0.0000 ( 2811 PWs) bands (ev): -1.3975 -1.3975 0.2572 0.2572 5.4427 5.4427 7.9217 7.9217 8.1289 8.1289 8.2344 8.2344 8.9914 8.9914 9.4265 9.4265 9.6492 9.6492 9.7800 9.7800 9.9985 9.9985 10.0531 10.0531 10.6867 10.6867 10.7185 10.7185 10.8193 10.8193 11.2652 11.2652 11.5645 11.5645 11.6910 11.6910 12.1227 12.1227 12.1948 12.1948 12.2181 12.2181 12.2705 12.2705 12.3208 12.3208 12.5383 12.5383 13.2643 13.2643 k = 0.0000 0.0795-0.0000 ( 2815 PWs) bands (ev): -1.3825 -1.3825 0.2644 0.2644 5.4593 5.4593 7.9197 7.9197 8.1004 8.1004 8.2324 8.2324 8.8999 8.8999 9.4335 9.4335 9.6233 9.6233 9.7666 9.7666 10.0009 10.0009 10.0993 10.0993 10.6831 10.6831 10.7152 10.7152 10.8213 10.8213 11.2619 11.2619 11.5937 11.5937 11.6849 11.6849 12.1204 12.1204 12.1978 12.1978 12.2114 12.2114 12.2665 12.2665 12.3193 12.3193 12.5349 12.5349 13.2566 13.2566 k = 0.0000 0.0909-0.0000 ( 2815 PWs) bands (ev): -1.3652 -1.3652 0.2726 0.2726 5.4783 5.4783 7.9152 7.9152 8.0670 8.0670 8.2311 8.2311 8.8073 8.8073 9.4416 9.4416 9.5935 9.5935 9.7517 9.7517 9.9997 9.9997 10.1481 10.1481 10.6790 10.6790 10.7116 10.7116 10.8239 10.8239 11.2585 11.2585 11.6224 11.6224 11.6794 11.6794 12.1184 12.1184 12.2025 12.2025 12.2038 12.2038 12.2624 12.2624 12.3176 12.3176 12.5313 12.5313 13.2488 13.2488 k = 0.0000 0.1023-0.0000 ( 2807 PWs) bands (ev): -1.3457 -1.3457 0.2817 0.2817 5.4999 5.4999 7.9069 7.9069 8.0291 8.0291 8.2301 8.2301 8.7155 8.7155 9.4508 9.4508 9.5606 9.5606 9.7355 9.7355 9.9971 9.9971 10.1971 10.1971 10.6745 10.6745 10.7078 10.7078 10.8274 10.8274 11.2549 11.2549 11.6444 11.6444 11.6797 11.6797 12.1169 12.1169 12.1932 12.1932 12.2110 12.2110 12.2582 12.2582 12.3158 12.3158 12.5281 12.5281 13.2412 13.2412 k = 0.0000 0.1136-0.0000 ( 2803 PWs) bands (ev): -1.3239 -1.3239 0.2917 0.2917 5.5238 5.5238 7.8927 7.8927 7.9870 7.9870 8.2295 8.2295 8.6271 8.6271 9.4609 9.4609 9.5253 9.5253 9.7182 9.7182 9.9932 9.9932 10.2455 10.2455 10.6696 10.6696 10.7038 10.7038 10.8313 10.8313 11.2510 11.2510 11.6480 11.6480 11.6964 11.6964 12.1161 12.1161 12.1815 12.1815 12.2214 12.2214 12.2541 12.2541 12.3137 12.3137 12.5251 12.5251 13.2345 13.2345 k = 0.0000 0.1250-0.0000 ( 2809 PWs) bands (ev): -1.3000 -1.3000 0.3024 0.3024 5.5502 5.5502 7.8703 7.8703 7.9409 7.9409 8.2290 8.2290 8.5450 8.5450 9.4701 9.4701 9.4899 9.4899 9.6999 9.6999 9.9880 9.9880 10.2930 10.2930 10.6643 10.6643 10.6997 10.6997 10.8359 10.8359 11.2472 11.2472 11.6413 11.6413 11.7201 11.7201 12.1161 12.1161 12.1680 12.1680 12.2334 12.2334 12.2511 12.2511 12.3115 12.3115 12.5226 12.5226 13.2294 13.2294 k = 0.0000 0.1364-0.0000 ( 2809 PWs) bands (ev): -1.2739 -1.2739 0.3139 0.3139 5.5788 5.5788 7.8370 7.8370 7.8906 7.8906 8.2285 8.2285 8.4728 8.4728 9.4471 9.4471 9.4863 9.4863 9.6810 9.6810 9.9817 9.9817 10.3397 10.3397 10.6584 10.6584 10.6955 10.6955 10.8412 10.8412 11.2433 11.2433 11.6321 11.6321 11.7426 11.7426 12.1172 12.1172 12.1528 12.1528 12.2399 12.2399 12.2557 12.2557 12.3096 12.3096 12.5207 12.5207 13.2268 13.2268 k = 0.0000 0.1477-0.0000 ( 2805 PWs) bands (ev): -1.2457 -1.2457 0.3261 0.3261 5.6097 5.6097 7.7911 7.7911 7.8355 7.8355 8.2280 8.2280 8.4136 8.4136 9.4078 9.4078 9.4992 9.4992 9.6617 9.6617 9.9743 9.9743 10.3855 10.3855 10.6521 10.6521 10.6912 10.6912 10.8472 10.8472 11.2396 11.2396 11.6219 11.6219 11.7619 11.7619 12.1191 12.1191 12.1360 12.1360 12.2375 12.2375 12.2699 12.2699 12.3090 12.3090 12.5194 12.5194 13.2276 13.2276 k = 0.0000 0.1591-0.0000 ( 2801 PWs) bands (ev): -1.2154 -1.2154 0.3388 0.3388 5.6429 5.6429 7.7314 7.7314 7.7759 7.7759 8.2273 8.2273 8.3689 8.3689 9.3673 9.3673 9.5135 9.5135 9.6422 9.6422 9.9657 9.9657 10.4304 10.4304 10.6453 10.6453 10.6868 10.6868 10.8538 10.8538 11.2360 11.2360 11.6113 11.6113 11.7775 11.7775 12.1177 12.1177 12.1217 12.1217 12.2333 12.2333 12.2824 12.2824 12.3128 12.3128 12.5190 12.5190 13.2329 13.2329 k = 0.0000 0.1705-0.0000 ( 2801 PWs) bands (ev): -1.1831 -1.1831 0.3519 0.3519 5.6781 5.6781 7.6574 7.6574 7.7137 7.7137 8.2264 8.2264 8.3381 8.3381 9.3262 9.3262 9.5287 9.5287 9.6229 9.6229 9.9560 9.9560 10.4744 10.4744 10.6381 10.6381 10.6822 10.6822 10.8610 10.8610 11.2327 11.2327 11.6004 11.6004 11.7891 11.7891 12.0980 12.0980 12.1246 12.1246 12.2287 12.2287 12.2874 12.2874 12.3244 12.3244 12.5194 12.5194 13.2437 13.2437 k = 0.0000 0.1818-0.0000 ( 2801 PWs) bands (ev): -1.1488 -1.1488 0.3653 0.3653 5.7154 5.7154 7.5709 7.5709 7.6498 7.6498 8.2254 8.2254 8.3184 8.3184 9.2848 9.2848 9.5448 9.5448 9.6039 9.6039 9.9452 9.9452 10.5177 10.5177 10.6306 10.6306 10.6774 10.6774 10.8686 10.8686 11.2298 11.2298 11.5895 11.5895 11.7971 11.7971 12.0771 12.0771 12.1275 12.1275 12.2237 12.2237 12.2878 12.2878 12.3396 12.3396 12.5206 12.5206 13.2612 13.2612 k = 0.0000 0.1932-0.0000 ( 2801 PWs) bands (ev): -1.1125 -1.1125 0.3789 0.3789 5.7547 5.7547 7.4756 7.4756 7.5841 7.5841 8.2246 8.2246 8.3070 8.3070 9.2434 9.2434 9.5616 9.5616 9.5858 9.5858 9.9336 9.9336 10.5601 10.5601 10.6229 10.6229 10.6725 10.6725 10.8766 10.8766 11.2272 11.2272 11.5788 11.5788 11.8018 11.8018 12.0550 12.0550 12.1297 12.1297 12.2185 12.2185 12.2874 12.2874 12.3538 12.3538 12.5226 12.5226 13.2862 13.2862 k = 0.0000 0.2045-0.0000 ( 2801 PWs) bands (ev): -1.0744 -1.0744 0.3926 0.3926 5.7957 5.7957 7.3746 7.3746 7.5166 7.5166 8.2241 8.2241 8.3010 8.3010 9.2021 9.2021 9.5672 9.5672 9.5810 9.5810 9.9210 9.9210 10.6015 10.6015 10.6150 10.6150 10.6674 10.6674 10.8847 10.8847 11.2251 11.2251 11.5684 11.5684 11.8037 11.8037 12.0319 12.0319 12.1307 12.1307 12.2129 12.2129 12.2880 12.2880 12.3647 12.3647 12.5255 12.5255 13.3194 13.3194 k = 0.0000 0.2159-0.0000 ( 2797 PWs) bands (ev): -1.0346 -1.0346 0.4063 0.4063 5.8384 5.8384 7.2702 7.2702 7.4477 7.4477 8.2241 8.2241 8.2981 8.2981 9.1611 9.1611 9.5515 9.5515 9.5994 9.5994 9.9080 9.9080 10.6069 10.6069 10.6412 10.6412 10.6630 10.6630 10.8929 10.8929 11.2236 11.2236 11.5585 11.5585 11.8031 11.8031 12.0078 12.0078 12.1298 12.1298 12.2069 12.2069 12.2905 12.2905 12.3714 12.3714 12.5293 12.5293 13.3606 13.3606 k = 0.0000 0.2273-0.0000 ( 2793 PWs) bands (ev): -0.9929 -0.9929 0.4196 0.4196 5.8825 5.8825 7.1644 7.1644 7.3774 7.3774 8.2243 8.2243 8.2968 8.2968 9.1206 9.1206 9.5369 9.5369 9.6191 9.6191 9.8947 9.8947 10.5989 10.5989 10.6533 10.6533 10.6848 10.6848 10.9009 10.9009 11.2228 11.2228 11.5494 11.5494 11.8004 11.8004 11.9828 11.9828 12.1264 12.1264 12.2005 12.2005 12.2954 12.2954 12.3735 12.3735 12.5339 12.5339 13.4088 13.4088 k = 0.0000 0.2386-0.0000 ( 2791 PWs) bands (ev): -0.9497 -0.9497 0.4326 0.4326 5.9279 5.9279 7.0583 7.0583 7.3065 7.3065 8.2247 8.2247 8.2961 8.2961 9.0805 9.0805 9.5240 9.5240 9.6396 9.6396 9.8810 9.8810 10.5910 10.5910 10.6473 10.6473 10.7233 10.7233 10.9085 10.9085 11.2225 11.2225 11.5412 11.5412 11.7959 11.7959 11.9569 11.9569 12.1201 12.1201 12.1937 12.1937 12.3029 12.3029 12.3713 12.3713 12.5393 12.5393 13.4401 13.4401 k = 0.0000 0.2500-0.0000 ( 2791 PWs) bands (ev): -0.9048 -0.9048 0.4450 0.4450 5.9742 5.9742 6.9532 6.9532 7.2353 7.2353 8.2252 8.2252 8.2951 8.2951 9.0412 9.0412 9.5131 9.5131 9.6610 9.6610 9.8672 9.8672 10.5833 10.5833 10.6400 10.6400 10.7613 10.7613 10.9157 10.9157 11.2229 11.2229 11.5340 11.5340 11.7898 11.7898 11.9301 11.9301 12.1109 12.1109 12.1868 12.1868 12.3125 12.3125 12.3654 12.3654 12.5456 12.5456 13.4265 13.4265 k = 0.0000 0.2614-0.0000 ( 2789 PWs) bands (ev): -0.8585 -0.8585 0.4566 0.4566 6.0209 6.0209 6.8497 6.8497 7.1647 7.1647 8.2255 8.2255 8.2933 8.2933 9.0025 9.0025 9.5044 9.5044 9.6831 9.6831 9.8536 9.8536 10.5759 10.5759 10.6320 10.6320 10.7982 10.7982 10.9224 10.9224 11.2241 11.2241 11.5280 11.5280 11.7825 11.7825 11.9027 11.9027 12.0989 12.0989 12.1799 12.1799 12.3229 12.3229 12.3575 12.3575 12.5527 12.5527 13.4114 13.4114 k = 0.0000 0.2727-0.0000 ( 2797 PWs) bands (ev): -0.8107 -0.8107 0.4673 0.4673 6.0674 6.0674 6.7487 6.7487 7.0954 7.0954 8.2251 8.2251 8.2905 8.2905 8.9646 8.9646 9.4982 9.4982 9.7058 9.7058 9.8401 9.8401 10.5688 10.5688 10.6231 10.6231 10.8333 10.8333 10.9289 10.9289 11.2259 11.2259 11.5232 11.5232 11.7738 11.7738 11.8743 11.8743 12.0842 12.0842 12.1729 12.1729 12.3278 12.3278 12.3540 12.3540 12.5606 12.5606 13.3979 13.3979 k = 0.0000 0.2841-0.0000 ( 2799 PWs) bands (ev): -0.7617 -0.7617 0.4768 0.4768 6.1129 6.1129 6.6507 6.6507 7.0284 7.0284 8.2235 8.2235 8.2868 8.2868 8.9276 8.9276 9.4945 9.4945 9.7293 9.7293 9.8269 9.8269 10.5621 10.5621 10.6135 10.6135 10.8656 10.8656 10.9359 10.9359 11.2286 11.2286 11.5200 11.5200 11.7641 11.7641 11.8455 11.8455 12.0672 12.0672 12.1660 12.1660 12.3189 12.3189 12.3639 12.3639 12.5693 12.5693 13.3860 13.3860 k = 0.0000 0.2955-0.0000 ( 2803 PWs) bands (ev): -0.7115 -0.7115 0.4850 0.4850 6.1561 6.1561 6.5565 6.5565 6.9654 6.9654 8.2196 8.2196 8.2829 8.2829 8.8916 8.8916 9.4934 9.4934 9.7535 9.7535 9.8143 9.8143 10.5559 10.5559 10.6030 10.6030 10.8918 10.8918 10.9465 10.9465 11.2321 11.2321 11.5182 11.5182 11.7533 11.7533 11.8161 11.8161 12.0482 12.0482 12.1593 12.1593 12.3035 12.3035 12.3798 12.3798 12.5785 12.5785 13.3757 13.3757 k = 0.0000 0.3068-0.0000 ( 2805 PWs) bands (ev): -0.6603 -0.6603 0.4916 0.4916 6.1947 6.1947 6.4667 6.4667 6.9083 6.9083 8.2121 8.2121 8.2797 8.2797 8.8564 8.8564 9.4950 9.4950 9.7776 9.7776 9.8028 9.8028 10.5504 10.5504 10.5917 10.5917 10.9072 10.9072 10.9652 10.9652 11.2365 11.2365 11.5180 11.5180 11.7417 11.7417 11.7866 11.7866 12.0276 12.0276 12.1526 12.1526 12.2860 12.2860 12.3980 12.3980 12.5883 12.5883 13.3666 13.3666 k = 0.0000 0.3182-0.0000 ( 2793 PWs) bands (ev): -0.6081 -0.6081 0.4964 0.4964 6.2254 6.2254 6.3825 6.3825 6.8601 6.8601 8.2001 8.2001 8.2784 8.2784 8.8223 8.8223 9.4991 9.4991 9.7882 9.7882 9.8061 9.8061 10.5456 10.5456 10.5797 10.5797 10.9125 10.9125 10.9911 10.9911 11.2420 11.2420 11.5194 11.5194 11.7291 11.7291 11.7570 11.7570 12.0057 12.0057 12.1461 12.1461 12.2676 12.2676 12.4173 12.4173 12.5986 12.5986 13.3589 13.3589 k = 0.0000 0.3295-0.0000 ( 2795 PWs) bands (ev): -0.5552 -0.5552 0.4992 0.4992 6.2396 6.2396 6.3095 6.3095 6.8245 6.8245 8.1828 8.1828 8.2789 8.2789 8.7892 8.7892 9.5055 9.5055 9.7785 9.7785 9.8308 9.8308 10.5412 10.5412 10.5672 10.5672 10.9121 10.9121 11.0194 11.0194 11.2484 11.2484 11.5220 11.5220 11.7147 11.7147 11.7281 11.7281 11.9827 11.9827 12.1397 12.1397 12.2488 12.2488 12.4374 12.4374 12.6091 12.6091 13.3521 13.3521 k = 0.0000 0.3409-0.0000 ( 2789 PWs) bands (ev): -0.5016 -0.5016 0.4999 0.4999 6.2062 6.2062 6.2752 6.2752 6.8055 6.8055 8.1607 8.1607 8.2813 8.2813 8.7572 8.7572 9.5140 9.5140 9.7684 9.7684 9.8571 9.8571 10.5365 10.5365 10.5553 10.5553 10.9083 10.9083 11.0480 11.0480 11.2557 11.2557 11.5259 11.5259 11.6934 11.6934 11.7059 11.7059 11.9590 11.9590 12.1334 12.1334 12.2302 12.2302 12.4581 12.4581 12.6198 12.6198 13.3464 13.3464 k = 0.0000 0.3523-0.0000 ( 2793 PWs) bands (ev): -0.4475 -0.4475 0.4982 0.4982 6.1424 6.1424 6.2610 6.2610 6.8054 6.8054 8.1340 8.1340 8.2852 8.2852 8.7262 8.7262 9.5243 9.5243 9.7590 9.7590 9.8838 9.8838 10.5281 10.5281 10.5471 10.5471 10.9019 10.9019 11.0757 11.0757 11.2638 11.2638 11.5305 11.5305 11.6655 11.6655 11.6898 11.6898 11.9349 11.9349 12.1273 12.1273 12.2120 12.2120 12.4791 12.4791 12.6306 12.6306 13.3414 13.3414 k = 0.0000 0.3636-0.0000 ( 2789 PWs) bands (ev): -0.3931 -0.3931 0.4939 0.4939 6.0792 6.0792 6.2369 6.2369 6.8232 6.8232 8.1032 8.1032 8.2902 8.2902 8.6963 8.6963 9.5361 9.5361 9.7502 9.7502 9.9110 9.9110 10.5145 10.5145 10.5445 10.5445 10.8934 10.8934 11.1023 11.1023 11.2729 11.2729 11.5354 11.5354 11.6378 11.6378 11.6741 11.6741 11.9108 11.9108 12.1215 12.1215 12.1946 12.1946 12.5002 12.5002 12.6412 12.6412 13.3372 13.3372 k = 0.0000 0.3750-0.0000 ( 2783 PWs) bands (ev): -0.3386 -0.3386 0.4869 0.4869 6.0210 6.0210 6.2025 6.2025 6.8555 6.8555 8.0685 8.0685 8.2963 8.2963 8.6675 8.6675 9.5490 9.5490 9.7422 9.7422 9.9385 9.9385 10.4981 10.4981 10.5454 10.5454 10.8828 10.8828 11.1277 11.1277 11.2831 11.2831 11.5393 11.5393 11.6127 11.6127 11.6581 11.6581 11.8869 11.8869 12.1159 12.1159 12.1783 12.1783 12.5213 12.5213 12.6515 12.6515 13.3337 13.3337 k = 0.0000 0.3864-0.0000 ( 2783 PWs) bands (ev): -0.2841 -0.2841 0.4771 0.4771 5.9687 5.9687 6.1613 6.1613 6.8984 6.8984 8.0302 8.0302 8.3034 8.3034 8.6397 8.6397 9.5625 9.5625 9.7347 9.7347 9.9663 9.9663 10.4800 10.4800 10.5485 10.5485 10.8705 10.8705 11.1515 11.1515 11.2942 11.2942 11.5379 11.5379 11.5940 11.5940 11.6415 11.6415 11.8633 11.8633 12.1106 12.1106 12.1630 12.1630 12.5421 12.5421 12.6615 12.6615 13.3310 13.3310 k = 0.0000 0.3977-0.0000 ( 2781 PWs) bands (ev): -0.2299 -0.2299 0.4643 0.4643 5.9226 5.9226 6.1167 6.1167 6.9487 6.9487 7.9886 7.9886 8.3113 8.3113 8.6131 8.6131 9.5765 9.5765 9.7278 9.7278 9.9944 9.9944 10.4606 10.4606 10.5536 10.5536 10.8564 10.8564 11.1739 11.1739 11.3061 11.3061 11.5262 11.5262 11.5873 11.5873 11.6245 11.6245 11.8403 11.8403 12.1056 12.1056 12.1491 12.1491 12.5625 12.5625 12.6708 12.6708 13.3290 13.3290 k = 0.0000 0.4091-0.0000 ( 2780 PWs) bands (ev): -0.1761 -0.1761 0.4484 0.4484 5.8830 5.8830 6.0709 6.0709 7.0039 7.0039 7.9438 7.9438 8.3201 8.3201 8.5876 8.5876 9.5903 9.5903 9.7215 9.7215 10.0226 10.0226 10.4402 10.4402 10.5608 10.5608 10.8408 10.8408 11.1950 11.1950 11.3187 11.3187 11.5064 11.5064 11.5899 11.5899 11.6074 11.6074 11.8182 11.8182 12.1009 12.1009 12.1365 12.1365 12.5823 12.5823 12.6792 12.6792 13.3279 13.3279 k = 0.0000 0.4205-0.0000 ( 2778 PWs) bands (ev): -0.1230 -0.1230 0.4294 0.4294 5.8499 5.8499 6.0256 6.0256 7.0625 7.0625 7.8962 7.8962 8.3297 8.3297 8.5632 8.5632 9.6038 9.6038 9.7156 9.7156 10.0509 10.0509 10.4188 10.4188 10.5699 10.5699 10.8238 10.8238 11.2147 11.2147 11.3321 11.3321 11.4842 11.4842 11.5866 11.5866 11.6002 11.6002 11.7971 11.7971 12.0968 12.0968 12.1254 12.1254 12.6012 12.6012 12.6867 12.6867 13.3278 13.3278 k = 0.0000 0.4318-0.0000 ( 2782 PWs) bands (ev): -0.0708 -0.0708 0.4073 0.4073 5.8236 5.8236 5.9823 5.9823 7.1234 7.1234 7.8459 7.8459 8.3402 8.3402 8.5399 8.5399 9.6168 9.6168 9.7100 9.7100 10.0793 10.0793 10.3964 10.3964 10.5810 10.5810 10.8055 10.8055 11.2333 11.2333 11.3456 11.3456 11.4623 11.4623 11.5693 11.5693 11.6085 11.6085 11.7771 11.7771 12.0932 12.0932 12.1156 12.1156 12.6190 12.6190 12.6928 12.6928 13.3289 13.3289 k = 0.0000 0.4432-0.0000 ( 2776 PWs) bands (ev): -0.0197 -0.0197 0.3820 0.3820 5.8039 5.8039 5.9418 5.9418 7.1857 7.1857 7.7932 7.7932 8.3516 8.3516 8.5177 8.5177 9.6289 9.6289 9.7046 9.7046 10.1075 10.1075 10.3733 10.3733 10.5941 10.5941 10.7862 10.7862 11.2509 11.2509 11.3586 11.3586 11.4424 11.4424 11.5509 11.5509 11.6188 11.6188 11.7582 11.7582 12.0901 12.0901 12.1074 12.1074 12.6357 12.6357 12.6976 12.6976 13.3314 13.3314 k = 0.0000 0.4545-0.0000 ( 2778 PWs) bands (ev): 0.0301 0.0301 0.3536 0.3536 5.7908 5.7908 5.9048 5.9048 7.2488 7.2488 7.7383 7.7383 8.3639 8.3639 8.4965 8.4965 9.6400 9.6400 9.6993 9.6993 10.1358 10.1358 10.3491 10.3491 10.6090 10.6090 10.7661 10.7661 11.2677 11.2677 11.3688 11.3688 11.4270 11.4270 11.5322 11.5322 11.6299 11.6299 11.7405 11.7405 12.0876 12.0876 12.1005 12.1005 12.6508 12.6508 12.7006 12.7006 13.3354 13.3354 k = 0.0000 0.4659-0.0000 ( 2778 PWs) bands (ev): 0.0782 0.0782 0.3222 0.3222 5.7843 5.7843 5.8718 5.8718 7.3123 7.3123 7.6814 7.6814 8.3770 8.3770 8.4763 8.4763 9.6502 9.6502 9.6938 9.6938 10.1638 10.1638 10.3243 10.3243 10.6255 10.6255 10.7455 10.7455 11.2839 11.2839 11.3707 11.3707 11.4216 11.4216 11.5136 11.5136 11.6415 11.6415 11.7238 11.7238 12.0859 12.0859 12.0949 12.0949 12.6643 12.6643 12.7018 12.7018 13.3414 13.3414 k = 0.0000 0.4773-0.0000 ( 2778 PWs) bands (ev): 0.1246 0.1246 0.2879 0.2879 5.7842 5.7842 5.8436 5.8436 7.3758 7.3758 7.6228 7.6228 8.3912 8.3912 8.4573 8.4573 9.6596 9.6596 9.6882 9.6882 10.1916 10.1916 10.2988 10.2988 10.6435 10.6435 10.7245 10.7245 11.2999 11.2999 11.3614 11.3614 11.4289 11.4289 11.4950 11.4950 11.6537 11.6537 11.7082 11.7082 12.0849 12.0849 12.0907 12.0907 12.6758 12.6758 12.7010 12.7010 13.3494 13.3494 k = 0.0000 0.4886-0.0000 ( 2778 PWs) bands (ev): 0.1690 0.1690 0.2508 0.2508 5.7903 5.7903 5.8203 5.8203 7.4389 7.4389 7.5626 7.5626 8.4062 8.4062 8.4392 8.4392 9.6679 9.6679 9.6821 9.6821 10.2191 10.2191 10.2727 10.2727 10.6626 10.6626 10.7035 10.7035 11.3157 11.3157 11.3471 11.3471 11.4428 11.4428 11.4768 11.4768 11.6662 11.6662 11.6934 11.6934 12.0849 12.0849 12.0877 12.0877 12.6853 12.6853 12.6980 12.6980 13.3598 13.3598 k = 0.0000 0.5000-0.0000 ( 2774 PWs) bands (ev): 0.2111 0.2111 0.2111 0.2111 5.8025 5.8025 5.8025 5.8025 7.5012 7.5012 7.5012 7.5012 8.4222 8.4222 8.4222 8.4222 9.6753 9.6753 9.6753 9.6753 10.2461 10.2461 10.2461 10.2461 10.6828 10.6828 10.6828 10.6828 11.3315 11.3315 11.3315 11.3315 11.4592 11.4592 11.4592 11.4592 11.6795 11.6795 11.6795 11.6795 12.0858 12.0858 12.0858 12.0858 12.6929 12.6929 12.6929 12.6929 13.3727 13.3727 k = 0.0000 0.5000-0.0000 ( 2774 PWs) bands (ev): 0.2111 0.2111 0.2111 0.2111 5.8025 5.8025 5.8025 5.8025 7.5012 7.5012 7.5012 7.5012 8.4222 8.4222 8.4222 8.4222 9.6753 9.6753 9.6753 9.6753 10.2461 10.2461 10.2461 10.2461 10.6828 10.6828 10.6828 10.6828 11.3315 11.3315 11.3315 11.3315 11.4592 11.4592 11.4592 11.4592 11.6795 11.6795 11.6795 11.6795 12.0858 12.0858 12.0858 12.0858 12.6929 12.6929 12.6929 12.6929 13.3727 13.3727 k = 0.0114 0.5000-0.0000 ( 2778 PWs) bands (ev): 0.2117 0.2117 0.2118 0.2118 5.8029 5.8029 5.8034 5.8034 7.5008 7.5008 7.5029 7.5029 8.4204 8.4204 8.4220 8.4220 9.6741 9.6741 9.6752 9.6752 10.2450 10.2450 10.2471 10.2471 10.6810 10.6810 10.6845 10.6845 11.3269 11.3269 11.3324 11.3324 11.4587 11.4587 11.4611 11.4611 11.6799 11.6799 11.6806 11.6806 12.0865 12.0865 12.0865 12.0865 12.6917 12.6917 12.6934 12.6934 13.3720 13.3720 k = 0.0227 0.5000-0.0000 ( 2774 PWs) bands (ev): 0.2136 0.2136 0.2139 0.2139 5.8049 5.8049 5.8058 5.8058 7.5017 7.5017 7.5059 7.5059 8.4165 8.4165 8.4197 8.4197 9.6717 9.6717 9.6739 9.6739 10.2439 10.2439 10.2479 10.2479 10.6793 10.6793 10.6862 10.6862 11.3190 11.3190 11.3295 11.3295 11.4599 11.4599 11.4640 11.4640 11.6818 11.6818 11.6832 11.6832 12.0890 12.0890 12.0890 12.0890 12.6899 12.6899 12.6934 12.6934 13.3710 13.3710 k = 0.0341 0.5000-0.0000 ( 2774 PWs) bands (ev): 0.2168 0.2168 0.2172 0.2172 5.8082 5.8082 5.8096 5.8096 7.5038 7.5038 7.5102 7.5102 8.4106 8.4106 8.4155 8.4155 9.6679 9.6679 9.6712 9.6712 10.2426 10.2426 10.2485 10.2485 10.6775 10.6775 10.6877 10.6877 11.3085 11.3085 11.3232 11.3232 11.4623 11.4623 11.4675 11.4675 11.6852 11.6852 11.6873 11.6873 12.0930 12.0930 12.0930 12.0930 12.6875 12.6875 12.6928 12.6928 13.3698 13.3698 k = 0.0455 0.5000-0.0000 ( 2776 PWs) bands (ev): 0.2213 0.2213 0.2218 0.2218 5.8130 5.8130 5.8148 5.8148 7.5071 7.5071 7.5157 7.5157 8.4028 8.4028 8.4094 8.4094 9.6629 9.6629 9.6673 9.6673 10.2411 10.2411 10.2488 10.2488 10.6759 10.6759 10.6893 10.6893 11.2961 11.2961 11.3141 11.3141 11.4654 11.4654 11.4709 11.4709 11.6899 11.6899 11.6925 11.6925 12.0985 12.0985 12.0985 12.0985 12.6845 12.6845 12.6915 12.6915 13.3683 13.3684 k = 0.0568 0.5000-0.0000 ( 2774 PWs) bands (ev): 0.2270 0.2270 0.2277 0.2277 5.8191 5.8191 5.8213 5.8213 7.5115 7.5115 7.5225 7.5225 8.3930 8.3930 8.4016 8.4016 9.6570 9.6570 9.6624 9.6624 10.2392 10.2392 10.2486 10.2486 10.6744 10.6744 10.6908 10.6908 11.2825 11.2825 11.3030 11.3030 11.4686 11.4686 11.4739 11.4739 11.6957 11.6957 11.6988 11.6988 12.1054 12.1054 12.1055 12.1055 12.6810 12.6810 12.6898 12.6898 13.3666 13.3666 k = 0.0682 0.5000-0.0000 ( 2790 PWs) bands (ev): 0.2340 0.2340 0.2348 0.2348 5.8265 5.8265 5.8292 5.8292 7.5170 7.5170 7.5304 7.5304 8.3815 8.3815 8.3920 8.3920 9.6500 9.6500 9.6565 9.6565 10.2367 10.2367 10.2475 10.2475 10.6731 10.6731 10.6922 10.6922 11.2679 11.2679 11.2905 11.2905 11.4716 11.4716 11.4763 11.4763 11.7024 11.7024 11.7058 11.7058 12.1136 12.1136 12.1137 12.1137 12.6767 12.6767 12.6872 12.6872 13.3645 13.3646 k = 0.0795 0.5000-0.0000 ( 2790 PWs) bands (ev): 0.2423 0.2423 0.2431 0.2431 5.8351 5.8351 5.8382 5.8382 7.5234 7.5234 7.5395 7.5395 8.3683 8.3683 8.3810 8.3810 9.6422 9.6422 9.6497 9.6497 10.2335 10.2335 10.2456 10.2456 10.6721 10.6721 10.6937 10.6937 11.2531 11.2531 11.2772 11.2772 11.4744 11.4744 11.4782 11.4782 11.7099 11.7099 11.7135 11.7135 12.1229 12.1229 12.1231 12.1231 12.6720 12.6720 12.6844 12.6844 13.3622 13.3622 k = 0.0909 0.5000-0.0000 ( 2794 PWs) bands (ev): 0.2517 0.2517 0.2527 0.2527 5.8449 5.8449 5.8485 5.8485 7.5308 7.5308 7.5497 7.5497 8.3537 8.3537 8.3688 8.3688 9.6337 9.6337 9.6423 9.6423 10.2294 10.2294 10.2425 10.2425 10.6714 10.6714 10.6951 10.6951 11.2381 11.2381 11.2635 11.2635 11.4766 11.4766 11.4796 11.4796 11.7178 11.7178 11.7215 11.7215 12.1333 12.1333 12.1335 12.1335 12.6669 12.6669 12.6811 12.6811 13.3595 13.3595 k = 0.1023 0.5000-0.0000 ( 2798 PWs) bands (ev): 0.2623 0.2623 0.2634 0.2634 5.8557 5.8557 5.8598 5.8598 7.5389 7.5389 7.5608 7.5608 8.3378 8.3378 8.3555 8.3555 9.6246 9.6246 9.6341 9.6341 10.2243 10.2243 10.2381 10.2381 10.6711 10.6711 10.6966 10.6966 11.2233 11.2233 11.2497 11.2497 11.4784 11.4784 11.4804 11.4804 11.7260 11.7260 11.7295 11.7295 12.1444 12.1444 12.1448 12.1448 12.6613 12.6613 12.6773 12.6773 13.3564 13.3565 k = 0.1136 0.5000-0.0000 ( 2798 PWs) bands (ev): 0.2741 0.2741 0.2753 0.2753 5.8675 5.8675 5.8720 5.8720 7.5477 7.5477 7.5727 7.5727 8.3209 8.3209 8.3415 8.3415 9.6151 9.6151 9.6255 9.6255 10.2180 10.2180 10.2323 10.2323 10.6710 10.6710 10.6980 10.6980 11.2091 11.2091 11.2361 11.2361 11.4797 11.4797 11.4808 11.4808 11.7342 11.7342 11.7374 11.7374 12.1561 12.1561 12.1566 12.1566 12.6553 12.6553 12.6733 12.6733 13.3529 13.3529 k = 0.1250 0.5000-0.0000 ( 2798 PWs) bands (ev): 0.2870 0.2870 0.2883 0.2883 5.8802 5.8802 5.8851 5.8851 7.5569 7.5569 7.5855 7.5855 8.3034 8.3034 8.3270 8.3270 9.6052 9.6052 9.6166 9.6166 10.2104 10.2104 10.2249 10.2249 10.6713 10.6713 10.6992 10.6992 11.1956 11.1956 11.2230 11.2230 11.4806 11.4806 11.4808 11.4808 11.7422 11.7422 11.7450 11.7450 12.1683 12.1683 12.1689 12.1689 12.6490 12.6490 12.6689 12.6689 13.3490 13.3491 k = 0.1364 0.5000-0.0000 ( 2804 PWs) bands (ev): 0.3009 0.3009 0.3023 0.3023 5.8936 5.8936 5.8989 5.8989 7.5665 7.5665 7.5988 7.5988 8.2853 8.2853 8.3124 8.3124 9.5951 9.5951 9.6074 9.6074 10.2014 10.2014 10.2157 10.2157 10.6718 10.6718 10.7002 10.7002 11.1829 11.1829 11.2106 11.2106 11.4805 11.4805 11.4810 11.4810 11.7498 11.7498 11.7521 11.7521 12.1805 12.1805 12.1813 12.1813 12.6425 12.6425 12.6642 12.6642 13.3446 13.3446 k = 0.1477 0.5000-0.0000 ( 2800 PWs) bands (ev): 0.3158 0.3158 0.3173 0.3173 5.9075 5.9075 5.9133 5.9133 7.5762 7.5762 7.6125 7.6125 8.2673 8.2673 8.2981 8.2981 9.5849 9.5849 9.5980 9.5980 10.1910 10.1910 10.2049 10.2049 10.6723 10.6723 10.7009 10.7009 11.1714 11.1714 11.1992 11.1992 11.4800 11.4800 11.4813 11.4813 11.7568 11.7568 11.7585 11.7585 12.1928 12.1928 12.1938 12.1938 12.6359 12.6359 12.6595 12.6595 13.3396 13.3396 k = 0.1591 0.5000-0.0000 ( 2796 PWs) bands (ev): 0.3317 0.3317 0.3333 0.3333 5.9218 5.9218 5.9281 5.9281 7.5859 7.5859 7.6265 7.6265 8.2495 8.2495 8.2843 8.2843 9.5748 9.5748 9.5887 9.5887 10.1789 10.1789 10.1922 10.1922 10.6728 10.6728 10.7012 10.7012 11.1612 11.1612 11.1888 11.1888 11.4794 11.4794 11.4813 11.4813 11.7631 11.7631 11.7641 11.7641 12.2047 12.2047 12.2059 12.2059 12.6292 12.6292 12.6548 12.6548 13.3341 13.3342 k = 0.1705 0.5000-0.0000 ( 2796 PWs) bands (ev): 0.3485 0.3485 0.3501 0.3501 5.9364 5.9364 5.9430 5.9430 7.5955 7.5955 7.6405 7.6405 8.2324 8.2324 8.2716 8.2716 9.5647 9.5647 9.5793 9.5793 10.1654 10.1654 10.1780 10.1780 10.6730 10.6730 10.7008 10.7008 11.1525 11.1525 11.1797 11.1797 11.4787 11.4787 11.4813 11.4813 11.7685 11.7685 11.7687 11.7687 12.2162 12.2162 12.2175 12.2175 12.6226 12.6226 12.6501 12.6501 13.3279 13.3280 k = 0.1818 0.5000-0.0000 ( 2796 PWs) bands (ev): 0.3661 0.3661 0.3678 0.3678 5.9510 5.9510 5.9579 5.9579 7.6047 7.6047 7.6544 7.6544 8.2165 8.2165 8.2601 8.2601 9.5548 9.5548 9.5701 9.5701 10.1504 10.1504 10.1621 10.1621 10.6727 10.6727 10.6997 10.6997 11.1453 11.1453 11.1720 11.1720 11.4780 11.4780 11.4811 11.4811 11.7722 11.7722 11.7728 11.7728 12.2270 12.2270 12.2284 12.2284 12.6162 12.6162 12.6456 12.6456 13.3211 13.3211 k = 0.1932 0.5000-0.0000 ( 2800 PWs) bands (ev): 0.3844 0.3844 0.3863 0.3863 5.9653 5.9653 5.9727 5.9727 7.6134 7.6134 7.6679 7.6679 8.2022 8.2022 8.2504 8.2504 9.5451 9.5451 9.5611 9.5611 10.1340 10.1340 10.1447 10.1447 10.6718 10.6718 10.6977 10.6977 11.1397 11.1397 11.1657 11.1657 11.4772 11.4772 11.4807 11.4807 11.7745 11.7745 11.7758 11.7758 12.2369 12.2369 12.2384 12.2384 12.6101 12.6101 12.6413 12.6413 13.3135 13.3135 k = 0.2045 0.5000-0.0000 ( 2804 PWs) bands (ev): 0.4035 0.4035 0.4054 0.4054 5.9793 5.9793 5.9869 5.9869 7.6216 7.6216 7.6808 7.6808 8.1899 8.1899 8.2427 8.2427 9.5356 9.5356 9.5523 9.5523 10.1163 10.1163 10.1259 10.1259 10.6701 10.6701 10.6947 10.6947 11.1358 11.1358 11.1610 11.1610 11.4765 11.4765 11.4804 11.4804 11.7754 11.7754 11.7776 11.7776 12.2459 12.2459 12.2475 12.2475 12.6043 12.6043 12.6374 12.6374 13.3052 13.3052 k = 0.2159 0.5000-0.0000 ( 2804 PWs) bands (ev): 0.4232 0.4232 0.4251 0.4251 5.9926 5.9926 6.0005 6.0005 7.6293 7.6293 7.6930 7.6930 8.1799 8.1799 8.2372 8.2372 9.5266 9.5266 9.5438 9.5438 10.0974 10.0974 10.1059 10.1059 10.6676 10.6676 10.6907 10.6907 11.1337 11.1337 11.1579 11.1579 11.4758 11.4758 11.4802 11.4802 11.7749 11.7749 11.7778 11.7778 12.2538 12.2538 12.2554 12.2554 12.5991 12.5991 12.6339 12.6339 13.2960 13.2960 k = 0.2273 0.5000-0.0000 ( 2800 PWs) bands (ev): 0.4434 0.4434 0.4454 0.4454 6.0051 6.0051 6.0132 6.0132 7.6366 7.6366 7.7043 7.7043 8.1727 8.1727 8.2341 8.2341 9.5180 9.5180 9.5357 9.5357 10.0774 10.0774 10.0847 10.0847 10.6641 10.6641 10.6857 10.6857 11.1332 11.1332 11.1565 11.1565 11.4753 11.4753 11.4800 11.4800 11.7729 11.7729 11.7765 11.7765 12.2606 12.2606 12.2621 12.2621 12.5944 12.5944 12.6309 12.6309 13.2861 13.2861 k = 0.2386 0.5000-0.0000 ( 2804 PWs) bands (ev): 0.4640 0.4640 0.4660 0.4660 6.0165 6.0165 6.0248 6.0248 7.6436 7.6436 7.7149 7.7149 8.1684 8.1684 8.2335 8.2335 9.5098 9.5098 9.5280 9.5280 10.0565 10.0565 10.0626 10.0626 10.6596 10.6596 10.6797 10.6797 11.1342 11.1342 11.1565 11.1565 11.4749 11.4749 11.4799 11.4799 11.7692 11.7692 11.7735 11.7735 12.2663 12.2663 12.2677 12.2677 12.5902 12.5902 12.6283 12.6283 13.2753 13.2753 k = 0.2500 0.5000-0.0000 ( 2806 PWs) bands (ev): 0.4850 0.4850 0.4871 0.4871 6.0266 6.0266 6.0349 6.0349 7.6506 7.6506 7.7248 7.7248 8.1670 8.1670 8.2352 8.2352 9.5021 9.5021 9.5208 9.5208 10.0347 10.0347 10.0398 10.0398 10.6542 10.6542 10.6727 10.6727 11.1366 11.1366 11.1579 11.1579 11.4745 11.4745 11.4797 11.4797 11.7638 11.7638 11.7687 11.7687 12.2709 12.2709 12.2722 12.2722 12.5864 12.5864 12.6261 12.6261 13.2636 13.2636 k = 0.2614 0.5000-0.0000 ( 2806 PWs) bands (ev): 0.5063 0.5063 0.5083 0.5083 6.0352 6.0352 6.0435 6.0435 7.6579 7.6579 7.7343 7.7343 8.1684 8.1684 8.2390 8.2390 9.4950 9.4950 9.5140 9.5140 10.0123 10.0123 10.0162 10.0162 10.6480 10.6480 10.6650 10.6650 11.1402 11.1402 11.1605 11.1605 11.4743 11.4743 11.4798 11.4798 11.7568 11.7568 11.7621 11.7621 12.2747 12.2747 12.2759 12.2759 12.5830 12.5830 12.6241 12.6241 13.2511 13.2511 k = 0.2727 0.5000-0.0000 ( 2802 PWs) bands (ev): 0.5277 0.5277 0.5297 0.5297 6.0421 6.0421 6.0504 6.0504 7.6658 7.6658 7.7438 7.7438 8.1724 8.1724 8.2448 8.2448 9.4884 9.4884 9.5077 9.5077 9.9894 9.9894 9.9923 9.9923 10.6410 10.6410 10.6566 10.6566 11.1448 11.1448 11.1642 11.1642 11.4742 11.4742 11.4799 11.4799 11.7481 11.7481 11.7538 11.7538 12.2778 12.2778 12.2788 12.2788 12.5799 12.5799 12.6224 12.6224 13.2377 13.2377 k = 0.2841 0.5000-0.0000 ( 2802 PWs) bands (ev): 0.5491 0.5491 0.5512 0.5512 6.0473 6.0473 6.0554 6.0554 7.6748 7.6748 7.7537 7.7537 8.1785 8.1785 8.2522 8.2522 9.4824 9.4824 9.5019 9.5019 9.9661 9.9661 9.9680 9.9680 10.6334 10.6334 10.6477 10.6477 11.1501 11.1501 11.1686 11.1686 11.4742 11.4742 11.4800 11.4800 11.7377 11.7377 11.7436 11.7436 12.2801 12.2801 12.2811 12.2811 12.5770 12.5770 12.6209 12.6209 13.2232 13.2232 k = 0.2955 0.5000-0.0000 ( 2802 PWs) bands (ev): 0.5705 0.5705 0.5725 0.5725 6.0505 6.0505 6.0584 6.0584 7.6851 7.6851 7.7643 7.7643 8.1864 8.1864 8.2607 8.2607 9.4770 9.4770 9.4966 9.4966 9.9427 9.9427 9.9436 9.9436 10.6253 10.6253 10.6384 10.6384 11.1560 11.1560 11.1737 11.1737 11.4744 11.4744 11.4803 11.4803 11.7257 11.7257 11.7318 11.7318 12.2820 12.2820 12.2830 12.2830 12.5743 12.5743 12.6195 12.6195 13.2078 13.2078 k = 0.3068 0.5000-0.0000 ( 2798 PWs) bands (ev): 0.5916 0.5916 0.5937 0.5937 6.0519 6.0519 6.0595 6.0595 7.6972 7.6972 7.7761 7.7761 8.1954 8.1954 8.2700 8.2700 9.4722 9.4722 9.4919 9.4919 9.9192 9.9192 9.9193 9.9193 10.6170 10.6170 10.6289 10.6289 11.1623 11.1623 11.1792 11.1792 11.4747 11.4747 11.4807 11.4807 11.7124 11.7124 11.7184 11.7184 12.2835 12.2835 12.2845 12.2845 12.5719 12.5719 12.6183 12.6183 13.1912 13.1912 k = 0.3182 0.5000-0.0000 ( 2790 PWs) bands (ev): 0.6125 0.6125 0.6145 0.6145 6.0514 6.0514 6.0586 6.0586 7.7112 7.7112 7.7895 7.7895 8.2052 8.2052 8.2797 8.2797 9.4680 9.4680 9.4878 9.4878 9.8952 9.8952 9.8960 9.8960 10.6084 10.6084 10.6194 10.6194 11.1688 11.1688 11.1850 11.1850 11.4752 11.4752 11.4811 11.4811 11.6977 11.6977 11.7037 11.7037 12.2847 12.2847 12.2858 12.2858 12.5697 12.5697 12.6172 12.6172 13.1734 13.1734 k = 0.3295 0.5000-0.0000 ( 2786 PWs) bands (ev): 0.6330 0.6330 0.6349 0.6349 6.0491 6.0491 6.0559 6.0559 7.7272 7.7272 7.8047 7.8047 8.2150 8.2150 8.2892 8.2892 9.4645 9.4645 9.4841 9.4841 9.8716 9.8716 9.8731 9.8731 10.5998 10.5998 10.6099 10.6099 11.1753 11.1753 11.1908 11.1908 11.4758 11.4758 11.4816 11.4816 11.6820 11.6820 11.6879 11.6879 12.2856 12.2856 12.2870 12.2870 12.5679 12.5679 12.6163 12.6163 13.1542 13.1542 k = 0.3409 0.5000-0.0000 ( 2786 PWs) bands (ev): 0.6529 0.6529 0.6547 0.6547 6.0452 6.0452 6.0515 6.0515 7.7454 7.7454 7.8219 7.8219 8.2245 8.2245 8.2982 8.2982 9.4615 9.4615 9.4809 9.4809 9.8484 9.8484 9.8506 9.8506 10.5913 10.5913 10.6005 10.6005 11.1816 11.1816 11.1964 11.1964 11.4765 11.4765 11.4822 11.4822 11.6654 11.6654 11.6711 11.6711 12.2864 12.2864 12.2880 12.2880 12.5666 12.5666 12.6157 12.6157 13.1336 13.1336 k = 0.3523 0.5000-0.0000 ( 2774 PWs) bands (ev): 0.6721 0.6721 0.6739 0.6739 6.0399 6.0399 6.0457 6.0457 7.7658 7.7658 7.8411 7.8411 8.2331 8.2331 8.3063 8.3063 9.4592 9.4592 9.4782 9.4782 9.8261 9.8261 9.8290 9.8290 10.5831 10.5831 10.5915 10.5915 11.1878 11.1878 11.2018 11.2018 11.4774 11.4774 11.4828 11.4828 11.6482 11.6482 11.6538 11.6538 12.2872 12.2872 12.2890 12.2890 12.5660 12.5660 12.6156 12.6156 13.1117 13.1117 k = 0.3636 0.5000-0.0000 ( 2770 PWs) bands (ev): 0.6905 0.6905 0.6923 0.6923 6.0333 6.0333 6.0386 6.0386 7.7882 7.7882 7.8623 7.8623 8.2405 8.2405 8.3130 8.3130 9.4574 9.4574 9.4759 9.4759 9.8048 9.8048 9.8081 9.8081 10.5751 10.5751 10.5828 10.5828 11.1936 11.1936 11.2069 11.2069 11.4783 11.4783 11.4834 11.4834 11.6307 11.6307 11.6361 11.6361 12.2878 12.2878 12.2898 12.2898 12.5664 12.5664 12.6162 12.6162 13.0885 13.0885 k = 0.3750 0.5000-0.0000 ( 2762 PWs) bands (ev): 0.7080 0.7080 0.7097 0.7097 6.0258 6.0258 6.0306 6.0306 7.8125 7.8125 7.8853 7.8853 8.2463 8.2463 8.3180 8.3180 9.4562 9.4562 9.4741 9.4741 9.7846 9.7846 9.7883 9.7883 10.5676 10.5676 10.5745 10.5745 11.1990 11.1990 11.2115 11.2115 11.4793 11.4793 11.4839 11.4839 11.6131 11.6131 11.6184 11.6184 12.2883 12.2883 12.2905 12.2905 12.5679 12.5679 12.6175 12.6175 13.0644 13.0644 k = 0.3864 0.5000-0.0000 ( 2760 PWs) bands (ev): 0.7245 0.7245 0.7261 0.7261 6.0177 6.0177 6.0219 6.0219 7.8384 7.8384 7.9100 7.9100 8.2501 8.2501 8.3210 8.3210 9.4554 9.4554 9.4725 9.4725 9.7657 9.7657 9.7697 9.7697 10.5605 10.5605 10.5668 10.5668 11.2041 11.2041 11.2157 11.2157 11.4803 11.4803 11.4842 11.4842 11.5958 11.5958 11.6009 11.6009 12.2887 12.2887 12.2910 12.2910 12.5708 12.5708 12.6197 12.6197 13.0395 13.0395 k = 0.3977 0.5000-0.0000 ( 2764 PWs) bands (ev): 0.7399 0.7399 0.7413 0.7413 6.0092 6.0092 6.0129 6.0129 7.8657 7.8657 7.9361 7.9361 8.2516 8.2516 8.3217 8.3217 9.4551 9.4551 9.4713 9.4713 9.7482 9.7482 9.7524 9.7524 10.5540 10.5540 10.5596 10.5596 11.2086 11.2086 11.2193 11.2193 11.4811 11.4811 11.4844 11.4844 11.5790 11.5790 11.5841 11.5841 12.2890 12.2890 12.2913 12.2913 12.5752 12.5752 12.6230 12.6230 13.0120 13.0120 k = 0.4091 0.5000-0.0000 ( 2756 PWs) bands (ev): 0.7539 0.7539 0.7552 0.7552 6.0006 6.0006 6.0038 6.0038 7.8942 7.8942 7.9633 7.9633 8.2508 8.2508 8.3199 8.3199 9.4553 9.4553 9.4702 9.4702 9.7324 9.7324 9.7367 9.7367 10.5481 10.5481 10.5531 10.5531 11.2128 11.2128 11.2226 11.2226 11.4819 11.4819 11.4842 11.4842 11.5631 11.5631 11.5684 11.5684 12.2892 12.2892 12.2914 12.2914 12.5812 12.5812 12.6274 12.6274 12.9845 12.9845 k = 0.4205 0.5000-0.0000 ( 2756 PWs) bands (ev): 0.7666 0.7666 0.7678 0.7678 5.9923 5.9923 5.9951 5.9951 7.9233 7.9233 7.9911 7.9911 8.2475 8.2475 8.3155 8.3155 9.4557 9.4557 9.4693 9.4693 9.7184 9.7184 9.7225 9.7225 10.5428 10.5428 10.5472 10.5472 11.2165 11.2165 11.2253 11.2253 11.4824 11.4824 11.4836 11.4836 11.5485 11.5485 11.5540 11.5540 12.2893 12.2893 12.2914 12.2914 12.5888 12.5888 12.6328 12.6328 12.9573 12.9573 k = 0.4318 0.5000-0.0000 ( 2760 PWs) bands (ev): 0.7778 0.7778 0.7788 0.7788 5.9846 5.9846 5.9868 5.9868 7.9528 7.9528 8.0190 8.0190 8.2417 8.2417 8.3084 8.3084 9.4564 9.4564 9.4685 9.4685 9.7061 9.7061 9.7100 9.7100 10.5382 10.5382 10.5420 10.5420 11.2198 11.2198 11.2274 11.2274 11.4823 11.4823 11.4824 11.4824 11.5357 11.5357 11.5414 11.5414 12.2894 12.2894 12.2912 12.2912 12.5979 12.5979 12.6391 12.6391 12.9311 12.9311 k = 0.4432 0.5000-0.0000 ( 2768 PWs) bands (ev): 0.7875 0.7875 0.7883 0.7883 5.9775 5.9775 5.9794 5.9794 7.9822 7.9822 8.0465 8.0465 8.2337 8.2337 8.2985 8.2985 9.4573 9.4573 9.4676 9.4676 9.6958 9.6958 9.6993 9.6993 10.5343 10.5343 10.5375 10.5375 11.2226 11.2226 11.2292 11.2292 11.4805 11.4805 11.4814 11.4814 11.5252 11.5252 11.5310 11.5310 12.2893 12.2893 12.2908 12.2908 12.6083 12.6083 12.6460 12.6460 12.9064 12.9064 k = 0.4545 0.5000-0.0000 ( 2772 PWs) bands (ev): 0.7955 0.7955 0.7962 0.7962 5.9715 5.9715 5.9730 5.9730 8.0110 8.0110 8.0725 8.0725 8.2241 8.2241 8.2861 8.2861 9.4583 9.4583 9.4668 9.4668 9.6875 9.6875 9.6904 9.6904 10.5312 10.5312 10.5337 10.5337 11.2251 11.2251 11.2304 11.2304 11.4780 11.4780 11.4797 11.4797 11.5174 11.5174 11.5229 11.5229 12.2893 12.2893 12.2905 12.2905 12.6197 12.6197 12.6528 12.6528 12.8840 12.8840 k = 0.4659 0.5000-0.0000 ( 2772 PWs) bands (ev): 0.8019 0.8019 0.8024 0.8024 5.9667 5.9667 5.9677 5.9677 8.0387 8.0387 8.0951 8.0951 8.2146 8.2146 8.2714 8.2714 9.4594 9.4594 9.4659 9.4659 9.6811 9.6811 9.6834 9.6834 10.5289 10.5289 10.5308 10.5308 11.2273 11.2273 11.2313 11.2313 11.4753 11.4753 11.4771 11.4771 11.5124 11.5124 11.5171 11.5171 12.2893 12.2893 12.2902 12.2902 12.6316 12.6316 12.6589 12.6589 12.8650 12.8650 k = 0.4773 0.5000-0.0000 ( 2782 PWs) bands (ev): 0.8065 0.8065 0.8068 0.8068 5.9631 5.9631 5.9638 5.9638 8.0646 8.0646 8.1110 8.1110 8.2082 8.2082 8.2550 8.2550 9.4606 9.4606 9.4649 9.4649 9.6766 9.6766 9.6782 9.6782 10.5272 10.5272 10.5285 10.5285 11.2289 11.2289 11.2316 11.2316 11.4727 11.4727 11.4742 11.4742 11.5098 11.5098 11.5131 11.5131 12.2892 12.2892 12.2899 12.2899 12.6431 12.6431 12.6629 12.6629 12.8507 12.8507 k = 0.4886 0.5000-0.0000 ( 2784 PWs) bands (ev): 0.8093 0.8093 0.8094 0.8094 5.9610 5.9610 5.9614 5.9614 8.0876 8.0876 8.1149 8.1149 8.2102 8.2102 8.2377 8.2377 9.4617 9.4617 9.4639 9.4639 9.6741 9.6741 9.6750 9.6750 10.5264 10.5264 10.5271 10.5271 11.2302 11.2302 11.2316 11.2316 11.4711 11.4711 11.4718 11.4718 11.5089 11.5089 11.5106 11.5106 12.2893 12.2893 12.2896 12.2896 12.6532 12.6532 12.6637 12.6637 12.8426 12.8426 k = 0.5000 0.5000-0.0000 ( 2780 PWs) bands (ev): 0.8103 0.8103 0.8103 0.8103 5.9605 5.9605 5.9605 5.9605 8.1056 8.1056 8.1056 8.1056 8.2215 8.2215 8.2215 8.2215 9.4629 9.4629 9.4629 9.4629 9.6736 9.6736 9.6736 9.6736 10.5264 10.5264 10.5264 10.5264 11.2311 11.2311 11.2311 11.2311 11.4708 11.4708 11.4708 11.4708 11.5092 11.5092 11.5092 11.5092 12.2895 12.2895 12.2895 12.2895 12.6605 12.6605 12.6605 12.6605 12.8415 12.8415 k = 0.5000 0.5000-0.0000 ( 2780 PWs) bands (ev): 0.8103 0.8103 0.8103 0.8103 5.9605 5.9605 5.9605 5.9605 8.1056 8.1056 8.1056 8.1056 8.2215 8.2215 8.2215 8.2215 9.4629 9.4629 9.4629 9.4629 9.6736 9.6736 9.6736 9.6736 10.5264 10.5264 10.5264 10.5264 11.2311 11.2311 11.2311 11.2311 11.4708 11.4708 11.4708 11.4708 11.5092 11.5092 11.5092 11.5092 12.2895 12.2895 12.2895 12.2895 12.6605 12.6605 12.6605 12.6605 12.8415 12.8415 k = 0.4919 0.4919-0.0000 ( 2784 PWs) bands (ev): 0.8085 0.8085 0.8102 0.8102 5.9607 5.9607 5.9617 5.9617 8.0867 8.0867 8.1162 8.1162 8.2085 8.2085 8.2389 8.2389 9.4615 9.4615 9.4642 9.4642 9.6723 9.6723 9.6767 9.6767 10.5264 10.5264 10.5271 10.5271 11.2298 11.2298 11.2319 11.2319 11.4706 11.4706 11.4723 11.4723 11.5086 11.5086 11.5108 11.5108 12.2890 12.2890 12.2899 12.2899 12.6526 12.6526 12.6643 12.6643 12.8414 12.8414 k = 0.4839 0.4839-0.0000 ( 2778 PWs) bands (ev): 0.8032 0.8032 0.8100 0.8100 5.9617 5.9617 5.9654 5.9654 8.0602 8.0602 8.1211 8.1211 8.1958 8.1958 8.2617 8.2617 9.4590 9.4590 9.4669 9.4669 9.6687 9.6687 9.6858 9.6858 10.5269 10.5269 10.5289 10.5289 11.2270 11.2270 11.2337 11.2337 11.4703 11.4703 11.4766 11.4766 11.5083 11.5083 11.5147 11.5147 12.2878 12.2878 12.2914 12.2914 12.6399 12.6399 12.6669 12.6669 12.8439 12.8439 k = 0.4758 0.4758-0.0000 ( 2778 PWs) bands (ev): 0.7943 0.7943 0.8097 0.8097 5.9634 5.9634 5.9715 5.9715 8.0286 8.0286 8.1230 8.1230 8.1802 8.1802 8.2878 8.2878 9.4557 9.4557 9.4710 9.4710 9.6628 9.6628 9.7000 9.7000 10.5277 10.5277 10.5319 10.5319 11.2223 11.2223 11.2364 11.2364 11.4695 11.4695 11.4828 11.4828 11.5079 11.5079 11.5216 11.5216 12.2858 12.2858 12.2937 12.2937 12.6234 12.6234 12.6696 12.6696 12.8482 12.8482 k = 0.4677 0.4677-0.0000 ( 2772 PWs) bands (ev): 0.7820 0.7820 0.8093 0.8093 5.9658 5.9658 5.9800 5.9800 7.9940 7.9940 8.1229 8.1229 8.1610 8.1610 8.3151 8.3151 9.4523 9.4523 9.4768 9.4768 9.6548 9.6548 9.7184 9.7184 10.5290 10.5290 10.5361 10.5361 11.2160 11.2160 11.2404 11.2404 11.4677 11.4677 11.4900 11.4900 11.5081 11.5081 11.5322 11.5322 12.2830 12.2830 12.2968 12.2968 12.6054 12.6054 12.6729 12.6729 12.8542 12.8542 k = 0.4597 0.4597-0.0000 ( 2770 PWs) bands (ev): 0.7663 0.7663 0.8087 0.8087 5.9692 5.9692 5.9910 5.9910 7.9578 7.9578 8.1177 8.1177 8.1416 8.1416 8.3423 8.3423 9.4493 9.4493 9.4841 9.4841 9.6448 9.6448 9.7401 9.7401 10.5308 10.5308 10.5414 10.5414 11.2084 11.2084 11.2454 11.2454 11.4647 11.4647 11.4974 11.4974 11.5090 11.5090 11.5470 11.5470 12.2794 12.2794 12.3008 12.3008 12.5868 12.5868 12.6767 12.6767 12.8620 12.8620 k = 0.4516 0.4516-0.0000 ( 2762 PWs) bands (ev): 0.7472 0.7472 0.8079 0.8079 5.9735 5.9735 6.0044 6.0044 7.9206 7.9206 8.0967 8.0967 8.1330 8.1330 8.3688 8.3688 9.4471 9.4471 9.4932 9.4932 9.6331 9.6331 9.7643 9.7643 10.5329 10.5329 10.5480 10.5480 11.1997 11.1997 11.2514 11.2514 11.4600 11.4600 11.5049 11.5049 11.5109 11.5109 11.5660 11.5660 12.2750 12.2750 12.3055 12.3055 12.5686 12.5686 12.6809 12.6809 12.8716 12.8716 k = 0.4435 0.4435-0.0000 ( 2760 PWs) bands (ev): 0.7247 0.7247 0.8069 0.8069 5.9790 5.9790 6.0202 6.0202 7.8831 7.8831 8.0640 8.0640 8.1315 8.1315 8.3941 8.3941 9.4459 9.4459 9.5037 9.5037 9.6200 9.6200 9.7901 9.7901 10.5356 10.5356 10.5557 10.5557 11.1900 11.1900 11.2585 11.2585 11.4536 11.4536 11.5117 11.5117 11.5145 11.5145 11.5884 11.5884 12.2699 12.2699 12.3109 12.3109 12.5510 12.5510 12.6854 12.6854 12.8830 12.8830 k = 0.4355 0.4355-0.0000 ( 2760 PWs) bands (ev): 0.6991 0.6991 0.8056 0.8056 5.9857 5.9857 6.0384 6.0384 7.8455 7.8455 8.0257 8.0257 8.1313 8.1313 8.4180 8.4180 9.4458 9.4458 9.5156 9.5156 9.6057 9.6057 9.8171 9.8171 10.5387 10.5387 10.5644 10.5644 11.1795 11.1795 11.2666 11.2666 11.4459 11.4459 11.5162 11.5162 11.5216 11.5216 11.6140 11.6140 12.2642 12.2642 12.3167 12.3167 12.5343 12.5343 12.6897 12.6897 12.8963 12.8963 k = 0.4274 0.4274-0.0000 ( 2760 PWs) bands (ev): 0.6704 0.6704 0.8041 0.8041 5.9938 5.9938 6.0589 6.0589 7.8082 7.8082 7.9831 7.9831 8.1316 8.1316 8.4403 8.4403 9.4466 9.4466 9.5288 9.5288 9.5909 9.5909 9.8447 9.8447 10.5424 10.5424 10.5744 10.5744 11.1683 11.1683 11.2757 11.2757 11.4368 11.4368 11.5203 11.5203 11.5302 11.5302 11.6421 11.6421 12.2576 12.2576 12.3229 12.3229 12.5185 12.5185 12.6938 12.6938 12.9114 12.9114 k = 0.4194 0.4194-0.0000 ( 2764 PWs) bands (ev): 0.6387 0.6387 0.8023 0.8023 6.0036 6.0036 6.0818 6.0818 7.7715 7.7715 7.9368 7.9368 8.1321 8.1321 8.4607 8.4607 9.4484 9.4484 9.5428 9.5428 9.5764 9.5764 9.8723 9.8723 10.5468 10.5468 10.5854 10.5854 11.1565 11.1565 11.2856 11.2856 11.4266 11.4266 11.5245 11.5245 11.5396 11.5396 11.6724 11.6724 12.2503 12.2503 12.3294 12.3294 12.5036 12.5036 12.6972 12.6972 12.9284 12.9284 k = 0.4113 0.4113-0.0000 ( 2776 PWs) bands (ev): 0.6041 0.6041 0.8001 0.8001 6.0151 6.0151 6.1070 6.1070 7.7354 7.7354 7.8874 7.8874 8.1327 8.1327 8.4794 8.4794 9.4509 9.4509 9.5512 9.5512 9.5686 9.5686 9.8996 9.8996 10.5519 10.5519 10.5975 10.5975 11.1442 11.1442 11.2963 11.2963 11.4154 11.4154 11.5287 11.5287 11.5497 11.5497 11.7045 11.7045 12.2424 12.2424 12.3359 12.3359 12.4896 12.4896 12.6995 12.6995 12.9472 12.9472 k = 0.4032 0.4032-0.0000 ( 2776 PWs) bands (ev): 0.5669 0.5669 0.7975 0.7975 6.0284 6.0284 6.1346 6.1346 7.7002 7.7002 7.8356 7.8356 8.1335 8.1335 8.4961 8.4961 9.4540 9.4540 9.5408 9.5408 9.5814 9.5814 9.9262 9.9262 10.5580 10.5580 10.6108 10.6108 11.1317 11.1317 11.3075 11.3075 11.4039 11.4039 11.5329 11.5329 11.5605 11.5605 11.7381 11.7381 12.2338 12.2338 12.3425 12.3425 12.4765 12.4765 12.7004 12.7004 12.9681 12.9681 k = 0.3952 0.3952-0.0000 ( 2776 PWs) bands (ev): 0.5270 0.5270 0.7944 0.7944 6.0438 6.0438 6.1644 6.1644 7.6655 7.6655 7.7821 7.7821 8.1344 8.1344 8.5108 8.5108 9.4575 9.4575 9.5266 9.5266 9.5998 9.5998 9.9516 9.9516 10.5652 10.5652 10.6250 10.6250 11.1188 11.1188 11.3185 11.3185 11.3927 11.3927 11.5369 11.5369 11.5723 11.5723 11.7729 11.7729 12.2246 12.2246 12.3489 12.3489 12.4643 12.4643 12.6996 12.6996 12.9909 12.9909 k = 0.3871 0.3871-0.0000 ( 2778 PWs) bands (ev): 0.4848 0.4848 0.7909 0.7909 6.0613 6.0613 6.1965 6.1965 7.6306 7.6306 7.7283 7.7283 8.1354 8.1354 8.5234 8.5234 9.4611 9.4611 9.5130 9.5130 9.6199 9.6199 9.9754 9.9754 10.5736 10.5736 10.6403 10.6403 11.1056 11.1056 11.3275 11.3275 11.3836 11.3836 11.5406 11.5406 11.5845 11.5845 11.8083 11.8083 12.2149 12.2149 12.3549 12.3549 12.4530 12.4530 12.6968 12.6968 13.0157 13.0157 k = 0.3790 0.3790-0.0000 ( 2782 PWs) bands (ev): 0.4403 0.4403 0.7868 0.7868 6.0810 6.0810 6.2308 6.2308 7.5934 7.5934 7.6769 7.6769 8.1365 8.1365 8.5339 8.5339 9.4643 9.4643 9.5009 9.5009 9.6415 9.6415 9.9972 9.9972 10.5834 10.5834 10.6565 10.6565 11.0922 11.0922 11.3303 11.3303 11.3809 11.3809 11.5439 11.5439 11.5975 11.5975 11.8442 11.8442 12.2047 12.2047 12.3604 12.3604 12.4428 12.4428 12.6920 12.6920 13.0425 13.0425 k = 0.3710 0.3710-0.0000 ( 2784 PWs) bands (ev): 0.3937 0.3937 0.7821 0.7821 6.1029 6.1029 6.2673 6.2673 7.5504 7.5504 7.6319 7.6319 8.1377 8.1377 8.5423 8.5423 9.4658 9.4658 9.4919 9.4919 9.6642 9.6642 10.0167 10.0167 10.5949 10.5949 10.6737 10.6737 11.0789 11.0789 11.3239 11.3239 11.3876 11.3876 11.5469 11.5469 11.6112 11.6112 11.8800 11.8800 12.1941 12.1941 12.3647 12.3647 12.4338 12.4338 12.6851 12.6851 13.0713 13.0713 k = 0.3629 0.3629-0.0000 ( 2784 PWs) bands (ev): 0.3452 0.3452 0.7769 0.7769 6.1272 6.1272 6.3060 6.3060 7.4990 7.4990 7.5965 7.5965 8.1391 8.1391 8.5486 8.5486 9.4638 9.4638 9.4881 9.4881 9.6881 9.6881 10.0335 10.0335 10.6082 10.6082 10.6917 10.6917 11.0655 11.0655 11.3115 11.3115 11.4006 11.4006 11.5494 11.5494 11.6254 11.6254 11.9155 11.9155 12.1830 12.1830 12.3675 12.3675 12.4265 12.4265 12.6761 12.6762 13.1021 13.1021 k = 0.3548 0.3548-0.0000 ( 2784 PWs) bands (ev): 0.2950 0.2950 0.7709 0.7709 6.1538 6.1538 6.3468 6.3468 7.4408 7.4408 7.5695 7.5695 8.1405 8.1405 8.5528 8.5528 9.4585 9.4585 9.4892 9.4892 9.7130 9.7130 10.0475 10.0475 10.6235 10.6235 10.7104 10.7104 11.0522 11.0522 11.2965 11.2965 11.4167 11.4167 11.5515 11.5515 11.6402 11.6402 11.9502 11.9502 12.1716 12.1716 12.3680 12.3680 12.4215 12.4215 12.6652 12.6652 13.1347 13.1347 k = 0.3468 0.3468-0.0000 ( 2784 PWs) bands (ev): 0.2433 0.2433 0.7643 0.7643 6.1828 6.1828 6.3897 6.3897 7.3786 7.3786 7.5486 7.5486 8.1421 8.1421 8.5550 8.5550 9.4526 9.4526 9.4928 9.4928 9.7388 9.7388 10.0584 10.0584 10.6408 10.6408 10.7298 10.7298 11.0390 11.0390 11.2801 11.2801 11.4345 11.4345 11.5532 11.5532 11.6556 11.6556 11.9838 11.9838 12.1600 12.1600 12.3656 12.3656 12.4193 12.4193 12.6524 12.6524 13.1690 13.1690 k = 0.3387 0.3387-0.0000 ( 2788 PWs) bands (ev): 0.1902 0.1902 0.7570 0.7570 6.2140 6.2140 6.4346 6.4346 7.3143 7.3143 7.5323 7.5323 8.1437 8.1437 8.5553 8.5553 9.4478 9.4478 9.4974 9.4974 9.7654 9.7654 10.0663 10.0663 10.6600 10.6600 10.7496 10.7496 11.0260 11.0260 11.2629 11.2629 11.4535 11.4535 11.5545 11.5545 11.6714 11.6714 12.0157 12.0157 12.1481 12.1481 12.3607 12.3607 12.4195 12.4195 12.6379 12.6379 13.2042 13.2043 k = 0.3306 0.3306-0.0000 ( 2788 PWs) bands (ev): 0.1359 0.1359 0.7489 0.7489 6.2475 6.2475 6.4815 6.4815 7.2489 7.2489 7.5201 7.5201 8.1455 8.1455 8.5538 8.5538 9.4445 9.4445 9.5024 9.5024 9.7929 9.7929 10.0712 10.0712 10.6811 10.6811 10.7698 10.7698 11.0133 11.0133 11.2451 11.2451 11.4734 11.4734 11.5554 11.5554 11.6877 11.6877 12.0458 12.0458 12.1363 12.1363 12.3539 12.3539 12.4214 12.4214 12.6220 12.6220 13.2337 13.2337 k = 0.3226 0.3226-0.0000 ( 2788 PWs) bands (ev): 0.0807 0.0807 0.7401 0.7401 6.2829 6.2829 6.5304 6.5304 7.1832 7.1832 7.5118 7.5118 8.1474 8.1474 8.5507 8.5507 9.4428 9.4428 9.5076 9.5076 9.8210 9.8210 10.0732 10.0732 10.7038 10.7038 10.7902 10.7902 11.0010 11.0010 11.2271 11.2271 11.4939 11.4939 11.5563 11.5563 11.7044 11.7044 12.0736 12.0736 12.1247 12.1247 12.3459 12.3459 12.4243 12.4243 12.6049 12.6049 13.2383 13.2383 k = 0.3145 0.3145-0.0000 ( 2792 PWs) bands (ev): 0.0246 0.0246 0.7305 0.7305 6.3201 6.3201 6.5810 6.5810 7.1176 7.1176 7.5073 7.5073 8.1494 8.1494 8.5461 8.5461 9.4428 9.4428 9.5131 9.5131 9.8496 9.8496 10.0726 10.0726 10.7280 10.7280 10.8106 10.8106 10.9893 10.9893 11.2089 11.2089 11.5142 11.5142 11.5578 11.5578 11.7215 11.7215 12.0975 12.0975 12.1147 12.1147 12.3371 12.3371 12.4277 12.4277 12.5868 12.5868 13.2353 13.2353 k = 0.3065 0.3065-0.0000 ( 2780 PWs) bands (ev): -0.0321 -0.0321 0.7201 0.7201 6.3587 6.3587 6.6333 6.6333 7.0531 7.0531 7.5066 7.5066 8.1515 8.1515 8.5403 8.5403 9.4446 9.4446 9.5187 9.5187 9.8788 9.8788 10.0696 10.0696 10.7534 10.7534 10.8307 10.8307 10.9784 10.9784 11.1908 11.1908 11.5320 11.5320 11.5621 11.5621 11.7388 11.7388 12.0992 12.0992 12.1247 12.1247 12.3279 12.3279 12.4313 12.4313 12.5679 12.5679 13.2313 13.2313 k = 0.2984 0.2984-0.0000 ( 2784 PWs) bands (ev): -0.0893 -0.0893 0.7089 0.7089 6.3980 6.3980 6.6869 6.6869 6.9907 6.9907 7.5096 7.5096 8.1536 8.1536 8.5335 8.5335 9.4480 9.4480 9.5244 9.5244 9.9084 9.9084 10.0645 10.0645 10.7792 10.7792 10.8500 10.8500 10.9685 10.9685 11.1725 11.1725 11.5416 11.5416 11.5746 11.5746 11.7563 11.7563 12.0891 12.0891 12.1440 12.1440 12.3182 12.3182 12.4349 12.4349 12.5483 12.5483 13.2267 13.2267 k = 0.2903 0.2903-0.0000 ( 2782 PWs) bands (ev): -0.1467 -0.1467 0.6970 0.6970 6.4369 6.4369 6.7409 6.7409 6.9327 6.9327 7.5163 7.5163 8.1559 8.1559 8.5260 8.5260 9.4529 9.4529 9.5302 9.5302 9.9384 9.9384 10.0577 10.0577 10.8051 10.8051 10.8679 10.8679 10.9604 10.9604 11.1545 11.1545 11.5439 11.5439 11.5950 11.5950 11.7740 11.7740 12.0791 12.0791 12.1610 12.1610 12.3084 12.3084 12.4384 12.4384 12.5284 12.5284 13.2218 13.2218 k = 0.2823 0.2823-0.0000 ( 2784 PWs) bands (ev): -0.2043 -0.2043 0.6844 0.6844 6.4730 6.4730 6.7903 6.7903 6.8863 6.8863 7.5266 7.5266 8.1583 8.1583 8.5180 8.5180 9.4593 9.4593 9.5361 9.5361 9.9685 9.9685 10.0495 10.0495 10.8300 10.8300 10.8837 10.8837 10.9552 10.9552 11.1367 11.1367 11.5433 11.5433 11.6182 11.6182 11.7916 11.7916 12.0700 12.0700 12.1751 12.1751 12.2983 12.2983 12.4418 12.4418 12.5081 12.5081 13.2168 13.2168 k = 0.2742 0.2742-0.0000 ( 2790 PWs) bands (ev): -0.2618 -0.2618 0.6710 0.6710 6.5018 6.5018 6.8043 6.8043 6.8868 6.8868 7.5404 7.5404 8.1607 8.1607 8.5099 8.5099 9.4669 9.4669 9.5420 9.5420 9.9986 9.9986 10.0402 10.0402 10.8519 10.8519 10.8965 10.8965 10.9551 10.9551 11.1195 11.1195 11.5416 11.5416 11.6426 11.6426 11.8090 11.8090 12.0621 12.0621 12.1861 12.1861 12.2879 12.2879 12.4451 12.4451 12.4878 12.4878 13.2115 13.2115 k = 0.2661 0.2661-0.0000 ( 2790 PWs) bands (ev): -0.3192 -0.3192 0.6570 0.6570 6.5151 6.5151 6.7885 6.7885 6.9370 6.9370 7.5576 7.5576 8.1632 8.1632 8.5019 8.5019 9.4758 9.4758 9.5478 9.5478 10.0244 10.0244 10.0346 10.0346 10.8670 10.8670 10.9082 10.9082 10.9616 10.9616 11.1028 11.1028 11.5393 11.5393 11.6678 11.6678 11.8263 11.8263 12.0557 12.0557 12.1940 12.1940 12.2775 12.2775 12.4482 12.4482 12.4676 12.4676 13.2062 13.2062 k = 0.2581 0.2581-0.0000 ( 2794 PWs) bands (ev): -0.3762 -0.3762 0.6423 0.6423 6.5049 6.5049 6.7903 6.7903 6.9974 6.9974 7.5781 7.5781 8.1658 8.1658 8.4944 8.4944 9.4857 9.4857 9.5535 9.5535 10.0179 10.0179 10.0608 10.0608 10.8721 10.8721 10.9216 10.9216 10.9742 10.9742 11.0870 11.0870 11.5367 11.5367 11.6933 11.6933 11.8432 11.8432 12.0511 12.0511 12.1987 12.1987 12.2672 12.2672 12.4475 12.4475 12.4511 12.4511 13.2008 13.2009 k = 0.2500 0.2500-0.0000 ( 2798 PWs) bands (ev): -0.4328 -0.4328 0.6270 0.6270 6.4726 6.4726 6.8149 6.8149 7.0611 7.0611 7.6014 7.6014 8.1684 8.1684 8.4878 8.4878 9.4966 9.4966 9.5589 9.5589 10.0073 10.0073 10.0910 10.0910 10.8699 10.8699 10.9345 10.9345 10.9911 10.9911 11.0724 11.0724 11.5339 11.5339 11.7194 11.7194 11.8596 11.8596 12.0487 12.0487 12.2001 12.2001 12.2571 12.2571 12.4280 12.4280 12.4540 12.4540 13.1954 13.1954 k = 0.2419 0.2419-0.0000 ( 2796 PWs) bands (ev): -0.4887 -0.4887 0.6112 0.6112 6.4269 6.4269 6.8549 6.8549 7.1271 7.1271 7.6275 7.6275 8.1712 8.1712 8.4824 8.4824 9.5083 9.5083 9.5638 9.5638 9.9966 9.9966 10.1212 10.1212 10.8646 10.8646 10.9438 10.9438 11.0100 11.0100 11.0601 11.0601 11.5311 11.5311 11.7458 11.7458 11.8753 11.8753 12.0488 12.0488 12.1981 12.1981 12.2477 12.2477 12.4090 12.4090 12.4567 12.4567 13.1901 13.1901 k = 0.2339 0.2339-0.0000 ( 2792 PWs) bands (ev): -0.5440 -0.5440 0.5949 0.5949 6.3747 6.3747 6.9036 6.9036 7.1947 7.1947 7.6557 7.6557 8.1739 8.1739 8.4788 8.4788 9.5208 9.5208 9.5683 9.5683 9.9864 9.9864 10.1512 10.1512 10.8578 10.8578 10.9486 10.9486 11.0244 11.0244 11.0551 11.0551 11.5284 11.5284 11.7722 11.7722 11.8903 11.8903 12.0515 12.0515 12.1923 12.1923 12.2395 12.2395 12.3907 12.3907 12.4594 12.4594 13.1850 13.1850 k = 0.2258 0.2258-0.0000 ( 2791 PWs) bands (ev): -0.5983 -0.5983 0.5782 0.5782 6.3196 6.3196 6.9575 6.9575 7.2640 7.2640 7.6857 7.6857 8.1768 8.1768 8.4774 8.4774 9.5338 9.5338 9.5722 9.5722 9.9768 9.9768 10.1810 10.1810 10.8506 10.8506 10.9487 10.9487 11.0228 11.0228 11.0677 11.0677 11.5261 11.5261 11.7987 11.7987 11.9045 11.9045 12.0568 12.0568 12.1831 12.1831 12.2324 12.2324 12.3732 12.3732 12.4619 12.4619 13.1800 13.1800 k = 0.2177 0.2177-0.0000 ( 2795 PWs) bands (ev): -0.6517 -0.6517 0.5612 0.5612 6.2635 6.2635 7.0147 7.0147 7.3346 7.3346 7.7169 7.7169 8.1797 8.1797 8.4788 8.4788 9.5471 9.5471 9.5754 9.5754 9.9682 9.9682 10.2103 10.2103 10.8431 10.8431 10.9447 10.9447 11.0132 11.0132 11.0883 11.0883 11.5241 11.5241 11.8251 11.8251 11.9180 11.9180 12.0644 12.0644 12.1710 12.1710 12.2262 12.2262 12.3564 12.3564 12.4644 12.4644 13.1754 13.1754 k = 0.2097 0.2097-0.0000 ( 2793 PWs) bands (ev): -0.7040 -0.7040 0.5438 0.5438 6.2075 6.2075 7.0741 7.0741 7.4067 7.4067 7.7485 7.7485 8.1826 8.1826 8.4836 8.4836 9.5599 9.5599 9.5786 9.5786 9.9610 9.9610 10.2393 10.2393 10.8355 10.8355 10.9374 10.9374 11.0017 11.0017 11.1097 11.1097 11.5229 11.5229 11.8514 11.8514 11.9311 11.9311 12.0737 12.0737 12.1574 12.1574 12.2205 12.2205 12.3408 12.3408 12.4668 12.4668 13.1712 13.1712 k = 0.2016 0.2016-0.0000 ( 2797 PWs) bands (ev): -0.7551 -0.7551 0.5263 0.5263 6.1520 6.1520 7.1349 7.1349 7.4799 7.4799 7.7798 7.7798 8.1856 8.1856 8.4927 8.4927 9.5689 9.5689 9.5846 9.5846 9.9552 9.9552 10.2677 10.2677 10.8281 10.8281 10.9274 10.9274 10.9885 10.9885 11.1302 11.1302 11.5227 11.5227 11.8772 11.8772 11.9439 11.9439 12.0827 12.0827 12.1440 12.1440 12.2150 12.2150 12.3262 12.3262 12.4692 12.4692 13.1675 13.1675 k = 0.1935 0.1935-0.0000 ( 2801 PWs) bands (ev): -0.8049 -0.8049 0.5087 0.5087 6.0976 6.0976 7.1968 7.1968 7.5542 7.5542 7.8100 7.8100 8.1887 8.1887 8.5068 8.5068 9.5710 9.5710 9.5966 9.5966 9.9510 9.9510 10.2955 10.2955 10.8207 10.8207 10.9153 10.9153 10.9737 10.9737 11.1493 11.1493 11.5236 11.5236 11.9025 11.9025 11.9564 11.9564 12.0866 12.0866 12.1357 12.1357 12.2096 12.2096 12.3128 12.3128 12.4715 12.4715 13.1644 13.1644 k = 0.1855 0.1855-0.0000 ( 2801 PWs) bands (ev): -0.8533 -0.8533 0.4910 0.4910 6.0444 6.0444 7.2593 7.2593 7.6295 7.6295 7.8383 7.8383 8.1918 8.1918 8.5266 8.5266 9.5694 9.5694 9.6112 9.6112 9.9485 9.9485 10.3226 10.3226 10.8135 10.8135 10.9010 10.9010 10.9575 10.9575 11.1666 11.1666 11.5259 11.5259 11.9270 11.9270 11.9687 11.9687 12.0793 12.0793 12.1388 12.1388 12.2044 12.2044 12.3006 12.3006 12.4740 12.4740 13.1621 13.1621 k = 0.1774 0.1774-0.0000 ( 2789 PWs) bands (ev): -0.9002 -0.9002 0.4734 0.4734 5.9927 5.9927 7.3221 7.3221 7.7053 7.7053 7.8644 7.8644 8.1949 8.1949 8.5528 8.5528 9.5658 9.5658 9.6268 9.6268 9.9479 9.9479 10.3489 10.3489 10.8064 10.8064 10.8841 10.8841 10.9406 10.9406 11.1820 11.1820 11.5298 11.5298 11.9505 11.9505 11.9803 11.9803 12.0644 12.0644 12.1503 12.1503 12.1995 12.1995 12.2898 12.2898 12.4766 12.4766 13.1606 13.1606 k = 0.1694 0.1694-0.0000 ( 2797 PWs) bands (ev): -0.9456 -0.9456 0.4559 0.4559 5.9426 5.9426 7.3848 7.3848 7.7808 7.7808 7.8885 7.8885 8.1979 8.1979 8.5857 8.5857 9.5605 9.5605 9.6427 9.6427 9.9487 9.9487 10.3740 10.3740 10.7993 10.7993 10.8633 10.8633 10.9243 10.9243 11.1951 11.1951 11.5351 11.5351 11.9722 11.9722 11.9886 11.9886 12.0493 12.0493 12.1647 12.1647 12.1951 12.1951 12.2802 12.2802 12.4792 12.4792 13.1600 13.1600 k = 0.1613 0.1613-0.0000 ( 2801 PWs) bands (ev): -0.9893 -0.9893 0.4385 0.4385 5.8943 5.8943 7.4471 7.4471 7.8512 7.8512 7.9148 7.9148 8.2009 8.2009 8.6254 8.6254 9.5539 9.5539 9.6587 9.6587 9.9508 9.9508 10.3980 10.3980 10.7919 10.7919 10.8384 10.8384 10.9096 10.9096 11.2062 11.2062 11.5421 11.5421 11.9858 11.9858 11.9922 11.9922 12.0439 12.0439 12.1784 12.1784 12.1927 12.1927 12.2718 12.2718 12.4820 12.4820 13.1606 13.1606 k = 0.1532 0.1532-0.0000 ( 2795 PWs) bands (ev): -1.0314 -1.0314 0.4215 0.4215 5.8478 5.8478 7.5088 7.5088 7.8975 7.8975 7.9628 7.9628 8.2038 8.2038 8.6719 8.6719 9.5461 9.5461 9.6749 9.6749 9.9543 9.9543 10.4206 10.4206 10.7838 10.7838 10.8103 10.8103 10.8968 10.8968 11.2153 11.2153 11.5508 11.5508 11.9693 11.9693 12.0093 12.0093 12.0525 12.0525 12.1825 12.1825 12.2005 12.2005 12.2652 12.2652 12.4849 12.4849 13.1623 13.1623 k = 0.1452 0.1452-0.0000 ( 2795 PWs) bands (ev): -1.0716 -1.0716 0.4048 0.4048 5.8032 5.8032 7.5696 7.5696 7.9168 7.9168 8.0350 8.0350 8.2064 8.2064 8.7244 8.7244 9.5374 9.5374 9.6912 9.6912 9.9586 9.9586 10.4412 10.4412 10.7685 10.7685 10.7861 10.7861 10.8857 10.8857 11.2228 11.2228 11.5605 11.5605 11.9451 11.9451 12.0247 12.0247 12.0680 12.0680 12.1801 12.1801 12.2145 12.2145 12.2600 12.2600 12.4880 12.4880 13.1652 13.1652 k = 0.1371 0.1371-0.0000 ( 2799 PWs) bands (ev): -1.1101 -1.1101 0.3886 0.3886 5.7607 5.7607 7.6291 7.6291 7.9275 7.9275 8.1138 8.1138 8.2090 8.2090 8.7824 8.7824 9.5280 9.5280 9.7073 9.7073 9.9635 9.9635 10.4589 10.4589 10.7373 10.7373 10.7756 10.7756 10.8758 10.8758 11.2288 11.2288 11.5713 11.5713 11.9177 11.9177 12.0385 12.0385 12.0854 12.0854 12.1774 12.1774 12.2278 12.2278 12.2570 12.2570 12.4913 12.4913 13.1693 13.1693 k = 0.1290 0.1290-0.0000 ( 2805 PWs) bands (ev): -1.1466 -1.1466 0.3729 0.3729 5.7203 5.7203 7.6870 7.6870 7.9343 7.9343 8.1941 8.1941 8.2119 8.2119 8.8450 8.8450 9.5180 9.5180 9.7234 9.7234 9.9688 9.9688 10.4723 10.4723 10.7028 10.7028 10.7684 10.7684 10.8669 10.8669 11.2335 11.2335 11.5827 11.5827 11.8884 11.8884 12.0511 12.0511 12.1030 12.1030 12.1752 12.1752 12.2379 12.2379 12.2577 12.2577 12.4948 12.4948 13.1746 13.1746 k = 0.1210 0.1210-0.0000 ( 2805 PWs) bands (ev): -1.1812 -1.1812 0.3578 0.3578 5.6820 5.6820 7.7430 7.7430 7.9387 7.9387 8.2133 8.2133 8.2769 8.2769 8.9114 8.9114 9.5078 9.5078 9.7391 9.7391 9.9742 9.9742 10.4783 10.4783 10.6707 10.6707 10.7619 10.7619 10.8591 10.8591 11.2376 11.2376 11.5946 11.5946 11.8579 11.8579 12.0628 12.0628 12.1199 12.1199 12.1739 12.1739 12.2424 12.2424 12.2642 12.2642 12.4986 12.4986 13.1810 13.1810 k = 0.1129 0.1129-0.0000 ( 2813 PWs) bands (ev): -1.2137 -1.2137 0.3433 0.3433 5.6460 5.6460 7.7965 7.7965 7.9417 7.9417 8.2155 8.2155 8.3594 8.3594 8.9808 8.9808 9.4972 9.4972 9.7544 9.7544 9.9794 9.9794 10.4720 10.4720 10.6467 10.6467 10.7558 10.7558 10.8520 10.8520 11.2412 11.2412 11.6067 11.6067 11.8262 11.8262 12.0735 12.0735 12.1353 12.1353 12.1736 12.1736 12.2439 12.2439 12.2737 12.2737 12.5024 12.5024 13.1885 13.1885 k = 0.1048 0.1048-0.0000 ( 2813 PWs) bands (ev): -1.2442 -1.2442 0.3295 0.3295 5.6122 5.6122 7.8468 7.8468 7.9443 7.9443 8.2175 8.2175 8.4425 8.4425 9.0521 9.0521 9.4869 9.4869 9.7693 9.7693 9.9845 9.9845 10.4495 10.4495 10.6349 10.6349 10.7500 10.7500 10.8457 10.8457 11.2445 11.2445 11.6186 11.6186 11.7940 11.7940 12.0832 12.0832 12.1485 12.1485 12.1750 12.1750 12.2453 12.2453 12.2831 12.2831 12.5066 12.5066 13.1970 13.1970 k = 0.0968 0.0968-0.0000 ( 2809 PWs) bands (ev): -1.2727 -1.2727 0.3165 0.3165 5.5808 5.5808 7.8911 7.8911 7.9492 7.9492 8.2194 8.2194 8.5258 8.5258 9.1247 9.1247 9.4768 9.4768 9.7836 9.7836 9.9891 9.9891 10.4122 10.4122 10.6342 10.6342 10.7445 10.7445 10.8401 10.8401 11.2476 11.2476 11.6301 11.6301 11.7614 11.7614 12.0919 12.0919 12.1585 12.1585 12.1791 12.1791 12.2472 12.2472 12.2916 12.2916 12.5111 12.5111 13.2061 13.2061 k = 0.0887 0.0887-0.0000 ( 2809 PWs) bands (ev): -1.2989 -1.2989 0.3043 0.3043 5.5517 5.5517 7.9195 7.9195 7.9664 7.9664 8.2213 8.2213 8.6093 8.6093 9.1975 9.1975 9.4670 9.4670 9.7970 9.7970 9.9933 9.9933 10.3648 10.3648 10.6398 10.6398 10.7394 10.7394 10.8352 10.8352 11.2506 11.2506 11.6406 11.6406 11.7288 11.7288 12.0996 12.0996 12.1649 12.1649 12.1862 12.1862 12.2500 12.2500 12.2990 12.2990 12.5156 12.5156 13.2158 13.2158 k = 0.0806 0.0806-0.0000 ( 2817 PWs) bands (ev): -1.3231 -1.3231 0.2930 0.2930 5.5251 5.5251 7.9276 7.9276 8.0003 8.0003 8.2231 8.2231 8.6927 8.6927 9.2697 9.2697 9.4577 9.4577 9.8095 9.8095 9.9966 9.9966 10.3112 10.3112 10.6483 10.6483 10.7348 10.7348 10.8308 10.8308 11.2536 11.2536 11.6490 11.6490 11.6976 11.6976 12.1060 12.1060 12.1692 12.1692 12.1944 12.1944 12.2534 12.2534 12.3051 12.3051 12.5201 12.5201 13.2257 13.2257 k = 0.0726 0.0726-0.0000 ( 2817 PWs) bands (ev): -1.3450 -1.3450 0.2826 0.2826 5.5008 5.5008 7.9287 7.9287 8.0374 8.0374 8.2251 8.2251 8.7758 8.7758 9.3402 9.3402 9.4490 9.4490 9.8208 9.8208 9.9993 9.9993 10.2536 10.2536 10.6577 10.6577 10.7309 10.7309 10.8270 10.8270 11.2567 11.2567 11.6469 11.6469 11.6764 11.6764 12.1115 12.1115 12.1731 12.1731 12.2023 12.2023 12.2574 12.2574 12.3101 12.3101 12.5248 12.5248 13.2356 13.2356 k = 0.0645 0.0645-0.0000 ( 2815 PWs) bands (ev): -1.3647 -1.3647 0.2732 0.2732 5.4791 5.4791 7.9281 7.9281 8.0725 8.0725 8.2272 8.2272 8.8583 8.8583 9.4073 9.4073 9.4416 9.4416 9.8305 9.8305 10.0012 10.0012 10.1936 10.1936 10.6668 10.6668 10.7279 10.7279 10.8239 10.8239 11.2597 11.2597 11.6226 11.6226 11.6773 11.6773 12.1159 12.1159 12.1770 12.1770 12.2093 12.2093 12.2617 12.2617 12.3141 12.3141 12.5293 12.5293 13.2454 13.2454 k = 0.0565 0.0565-0.0000 ( 2817 PWs) bands (ev): -1.3821 -1.3821 0.2648 0.2648 5.4598 5.4598 7.9268 7.9268 8.1039 8.1039 8.2296 8.2296 8.9400 8.9400 9.4318 9.4318 9.4739 9.4739 9.8384 9.8384 10.0018 10.0018 10.1325 10.1325 10.6750 10.6750 10.7257 10.7257 10.8214 10.8214 11.2628 11.2628 11.5927 11.5927 11.6838 11.6838 12.1196 12.1196 12.1810 12.1810 12.2152 12.2152 12.2660 12.2660 12.3172 12.3172 12.5336 12.5336 13.2546 13.2546 k = 0.0484 0.0484-0.0000 ( 2819 PWs) bands (ev): -1.3972 -1.3972 0.2575 0.2575 5.4431 5.4431 7.9253 7.9253 8.1310 8.1310 8.2325 8.2325 9.0204 9.0204 9.4258 9.4258 9.5327 9.5327 9.8442 9.8442 9.9999 9.9999 10.0731 10.0731 10.6820 10.6820 10.7246 10.7246 10.8194 10.8194 11.2656 11.2656 11.5635 11.5635 11.6903 11.6903 12.1226 12.1226 12.1849 12.1849 12.2202 12.2202 12.2701 12.2701 12.3196 12.3196 12.5375 12.5375 13.2632 13.2632 k = 0.0403 0.0403-0.0000 ( 2819 PWs) bands (ev): -1.4101 -1.4101 0.2512 0.2512 5.4288 5.4288 7.9239 7.9239 8.1532 8.1532 8.2361 8.2361 9.0988 9.0988 9.4202 9.4202 9.5855 9.5855 9.8471 9.8471 9.9842 9.9842 10.0282 10.0282 10.6876 10.6876 10.7245 10.7245 10.8178 10.8178 11.2682 11.2682 11.5364 11.5364 11.6962 11.6962 12.1250 12.1250 12.1886 12.1886 12.2242 12.2242 12.2738 12.2738 12.3213 12.3213 12.5411 12.5411 13.2708 13.2708 k = 0.0323 0.0323-0.0000 ( 2815 PWs) bands (ev): -1.4206 -1.4206 0.2461 0.2461 5.4172 5.4172 7.9227 7.9227 8.1703 8.1703 8.2405 8.2405 9.1742 9.1742 9.4155 9.4155 9.6297 9.6297 9.8463 9.8463 9.9397 9.9397 10.0160 10.0160 10.6918 10.6918 10.7253 10.7253 10.8168 10.8168 11.2705 11.2705 11.5123 11.5123 11.7012 11.7012 12.1269 12.1269 12.1918 12.1918 12.2275 12.2275 12.2770 12.2770 12.3226 12.3226 12.5442 12.5442 13.2774 13.2774 k = 0.0242 0.0242-0.0000 ( 2827 PWs) bands (ev): -1.4288 -1.4288 0.2420 0.2420 5.4081 5.4081 7.9215 7.9215 8.1822 8.1822 8.2453 8.2453 9.2446 9.2446 9.4117 9.4117 9.6617 9.6617 9.8400 9.8400 9.8953 9.8953 10.0138 10.0138 10.6946 10.6946 10.7264 10.7264 10.8159 10.8159 11.2724 11.2724 11.4922 11.4922 11.7050 11.7050 12.1284 12.1284 12.1945 12.1945 12.2299 12.2299 12.2794 12.2794 12.3233 12.3233 12.5468 12.5468 13.2824 13.2824 k = 0.0161 0.0161-0.0000 ( 2823 PWs) bands (ev): -1.4347 -1.4347 0.2391 0.2391 5.4016 5.4016 7.9208 7.9208 8.1897 8.1897 8.2500 8.2500 9.3065 9.3065 9.4090 9.4090 9.6755 9.6755 9.8294 9.8294 9.8671 9.8671 10.0132 10.0132 10.6965 10.6965 10.7276 10.7276 10.8155 10.8155 11.2738 11.2738 11.4772 11.4772 11.7078 11.7078 12.1294 12.1294 12.1966 12.1966 12.2317 12.2317 12.2813 12.2813 12.3239 12.3239 12.5486 12.5486 13.2863 13.2863 k = 0.0081 0.0081-0.0000 ( 2817 PWs) bands (ev): -1.4382 -1.4382 0.2374 0.2374 5.3977 5.3977 7.9203 7.9203 8.1938 8.1938 8.2534 8.2534 9.3523 9.3523 9.4073 9.4073 9.6710 9.6710 9.8253 9.8253 9.8521 9.8521 10.0130 10.0130 10.6976 10.6976 10.7284 10.7284 10.8153 10.8153 11.2746 11.2746 11.4678 11.4678 11.7094 11.7094 12.1300 12.1300 12.1978 12.1978 12.2330 12.2330 12.2826 12.2826 12.3242 12.3242 12.5498 12.5498 13.2886 13.2886 k = 0.0000 0.0000 0.0000 ( 2817 PWs) bands (ev): -1.4394 -1.4394 0.2368 0.2368 5.3964 5.3964 7.9201 7.9201 8.1951 8.1951 8.2546 8.2546 9.3700 9.3700 9.4067 9.4067 9.6652 9.6652 9.8276 9.8276 9.8454 9.8454 10.0130 10.0130 10.6979 10.6979 10.7287 10.7287 10.8152 10.8152 11.2749 11.2749 11.4646 11.4646 11.7100 11.7100 12.1302 12.1302 12.1982 12.1982 12.2333 12.2333 12.2830 12.2830 12.3243 12.3243 12.5502 12.5502 13.2894 13.2894 k = 0.0000 0.0000 0.0000 ( 2817 PWs) bands (ev): -1.4394 -1.4394 0.2368 0.2368 5.3964 5.3964 7.9201 7.9201 8.1951 8.1951 8.2546 8.2546 9.3700 9.3700 9.4067 9.4067 9.6652 9.6652 9.8276 9.8276 9.8454 9.8454 10.0130 10.0130 10.6979 10.6979 10.7287 10.7287 10.8152 10.8152 11.2749 11.2749 11.4646 11.4646 11.7100 11.7100 12.1302 12.1302 12.1982 12.1982 12.2333 12.2333 12.2830 12.2830 12.3243 12.3243 12.5502 12.5502 13.2894 13.2894 k = 0.0000 0.0000 0.0112 ( 2813 PWs) bands (ev): -1.4383 -1.4383 0.2349 0.2349 5.3983 5.3983 7.9176 7.9176 8.1952 8.1952 8.2548 8.2548 9.3709 9.3709 9.4068 9.4068 9.6651 9.6651 9.8275 9.8275 9.8417 9.8417 10.0197 10.0197 10.6978 10.6978 10.7284 10.7284 10.8137 10.8137 11.2736 11.2736 11.4658 11.4658 11.7095 11.7095 12.1139 12.1139 12.1796 12.1796 12.2505 12.2505 12.3021 12.3021 12.3254 12.3254 12.5503 12.5503 13.2894 13.2894 k = 0.0000 0.0000 0.0225 ( 2825 PWs) bands (ev): -1.4350 -1.4350 0.2290 0.2290 5.4040 5.4040 7.9099 7.9099 8.1954 8.1954 8.2552 8.2552 9.3736 9.3736 9.4071 9.4071 9.6650 9.6650 9.8271 9.8271 9.8324 9.8324 10.0380 10.0380 10.6972 10.6972 10.7272 10.7272 10.8091 10.8091 11.2699 11.2699 11.4691 11.4691 11.7073 11.7073 12.0800 12.0800 12.1436 12.1436 12.2867 12.2867 12.3255 12.3255 12.3425 12.3425 12.5506 12.5506 13.2893 13.2893 k = 0.0000 0.0000 0.0337 ( 2833 PWs) bands (ev): -1.4296 -1.4296 0.2193 0.2193 5.4134 5.4134 7.8970 7.8970 8.1961 8.1961 8.2560 8.2560 9.3781 9.3781 9.4075 9.4075 9.6647 9.6647 9.8212 9.8212 9.8265 9.8265 10.0638 10.0638 10.6962 10.6962 10.7251 10.7251 10.8016 10.8016 11.2640 11.2640 11.4744 11.4744 11.7037 11.7037 12.0413 12.0413 12.1040 12.1040 12.3296 12.3296 12.3302 12.3302 12.3854 12.3854 12.5512 12.5512 13.2893 13.2893 k = 0.0000 0.0000 0.0450 ( 2837 PWs) bands (ev): -1.4220 -1.4220 0.2059 0.2059 5.4265 5.4265 7.8789 7.8789 8.1969 8.1969 8.2571 8.2571 9.3844 9.3844 9.4082 9.4082 9.6644 9.6644 9.8111 9.8111 9.8256 9.8256 10.0950 10.0950 10.6949 10.6949 10.7216 10.7216 10.7917 10.7917 11.2563 11.2563 11.4813 11.4813 11.6986 11.6986 12.0013 12.0013 12.0637 12.0637 12.3357 12.3357 12.3755 12.3755 12.4309 12.4309 12.5525 12.5525 13.2893 13.2893 k = 0.0000 0.0000 0.0562 ( 2837 PWs) bands (ev): -1.4122 -1.4122 0.1888 0.1888 5.4432 5.4432 7.8557 7.8557 8.1981 8.1981 8.2586 8.2586 9.3924 9.3924 9.4090 9.4090 9.6642 9.6642 9.8038 9.8038 9.8245 9.8245 10.1290 10.1290 10.6936 10.6936 10.7164 10.7164 10.7806 10.7806 11.2472 11.2472 11.4894 11.4894 11.6922 11.6922 11.9609 11.9609 12.0232 12.0232 12.3423 12.3423 12.4235 12.4235 12.4766 12.4766 12.5557 12.5557 13.2893 13.2893 k = 0.0000 0.0000 0.0675 ( 2829 PWs) bands (ev): -1.4003 -1.4003 0.1682 0.1682 5.4634 5.4634 7.8275 7.8275 8.1996 8.1996 8.2604 8.2604 9.4021 9.4021 9.4100 9.4100 9.6639 9.6639 9.8004 9.8004 9.8230 9.8230 10.1648 10.1648 10.6923 10.6923 10.7083 10.7083 10.7694 10.7694 11.2372 11.2372 11.4984 11.4984 11.6845 11.6845 11.9205 11.9205 11.9830 11.9830 12.3500 12.3500 12.4731 12.4731 12.5165 12.5165 12.5663 12.5663 13.2895 13.2895 k = 0.0000 0.0000 0.0787 ( 2817 PWs) bands (ev): -1.3862 -1.3862 0.1442 0.1442 5.4871 5.4871 7.7941 7.7941 8.2013 8.2013 8.2626 8.2626 9.4105 9.4105 9.4143 9.4143 9.6638 9.6638 9.8015 9.8015 9.8212 9.8212 10.2015 10.2015 10.6913 10.6913 10.6958 10.6958 10.7602 10.7602 11.2264 11.2264 11.5079 11.5079 11.6756 11.6756 11.8802 11.8802 11.9430 11.9430 12.3588 12.3588 12.5242 12.5242 12.5359 12.5359 12.5990 12.5990 13.2895 13.2895 k = 0.0000 0.0000 0.0900 ( 2809 PWs) bands (ev): -1.3701 -1.3701 0.1171 0.1171 5.5142 5.5142 7.7558 7.7558 8.2033 8.2033 8.2650 8.2650 9.4119 9.4119 9.4273 9.4273 9.6636 9.6636 9.8077 9.8077 9.8190 9.8190 10.2385 10.2385 10.6780 10.6780 10.6906 10.6906 10.7540 10.7540 11.2152 11.2152 11.5176 11.5176 11.6655 11.6655 11.8400 11.8400 11.9033 11.9033 12.3683 12.3683 12.5413 12.5413 12.5765 12.5765 12.6469 12.6469 13.2897 13.2897 k = 0.0000 0.0000 0.1012 ( 2809 PWs) bands (ev): -1.3518 -1.3518 0.0870 0.0870 5.5445 5.5445 7.7128 7.7128 8.2053 8.2053 8.2675 8.2675 9.4133 9.4133 9.4422 9.4422 9.6634 9.6634 9.8165 9.8165 9.8188 9.8188 10.2753 10.2753 10.6555 10.6555 10.6903 10.6903 10.7506 10.7506 11.2037 11.2037 11.5274 11.5274 11.6543 11.6543 11.8000 11.8000 11.8638 11.8638 12.3784 12.3784 12.5433 12.5433 12.6299 12.6299 12.6996 12.6996 13.2897 13.2897 k = 0.0000 0.0000 0.1125 ( 2808 PWs) bands (ev): -1.3316 -1.3316 0.0540 0.0540 5.5780 5.5780 7.6656 7.6656 8.2076 8.2076 8.2703 8.2703 9.4147 9.4147 9.4588 9.4588 9.6630 9.6630 9.8135 9.8135 9.8349 9.8349 10.3114 10.3114 10.6293 10.6293 10.6908 10.6908 10.7497 10.7497 11.1922 11.1922 11.5371 11.5371 11.6423 11.6423 11.7601 11.7601 11.8244 11.8244 12.3890 12.3890 12.5441 12.5441 12.6845 12.6845 12.7545 12.7545 13.2898 13.2898 k = 0.0000 0.0000 0.1237 ( 2808 PWs) bands (ev): -1.3093 -1.3093 0.0186 0.0186 5.6144 5.6144 7.6141 7.6141 8.2100 8.2100 8.2732 8.2732 9.4162 9.4162 9.4771 9.4771 9.6624 9.6624 9.8102 9.8102 9.8560 9.8560 10.3467 10.3467 10.6000 10.6000 10.6921 10.6921 10.7506 10.7506 11.1808 11.1808 11.5465 11.5465 11.6294 11.6294 11.7206 11.7206 11.7857 11.7857 12.3998 12.3998 12.5447 12.5447 12.7400 12.7400 12.8109 12.8109 13.2898 13.2898 k = 0.0000 0.0000 0.1349 ( 2808 PWs) bands (ev): -1.2850 -1.2850 -0.0192 -0.0192 5.6537 5.6537 7.5588 7.5588 8.2125 8.2125 8.2762 8.2762 9.4178 9.4178 9.4969 9.4969 9.6615 9.6615 9.8065 9.8065 9.8815 9.8815 10.3809 10.3809 10.5683 10.5683 10.6944 10.6944 10.7533 10.7533 11.1695 11.1695 11.5553 11.5553 11.6157 11.6157 11.6815 11.6815 11.7474 11.7474 12.4107 12.4107 12.5450 12.5450 12.7965 12.7965 12.8686 12.8686 13.2899 13.2899 k = 0.0000 0.0000 0.1462 ( 2808 PWs) bands (ev): -1.2588 -1.2588 -0.0592 -0.0592 5.6957 5.6957 7.5002 7.5002 8.2150 8.2150 8.2794 8.2794 9.4194 9.4194 9.5183 9.5183 9.6603 9.6603 9.8025 9.8025 9.9111 9.9111 10.4136 10.4136 10.5347 10.5347 10.6979 10.6979 10.7576 10.7576 11.1586 11.1586 11.5635 11.5635 11.6015 11.6015 11.6427 11.6427 11.7100 11.7100 12.4216 12.4216 12.5452 12.5452 12.8537 12.8537 12.9273 12.9273 13.2900 13.2900 k = 0.0000 0.0000 0.1574 ( 2800 PWs) bands (ev): -1.2306 -1.2306 -0.1010 -0.1010 5.7404 5.7404 7.4387 7.4387 8.2177 8.2177 8.2825 8.2825 9.4210 9.4210 9.5412 9.5412 9.6588 9.6588 9.7983 9.7983 9.9443 9.9443 10.4450 10.4450 10.4995 10.4995 10.7026 10.7026 10.7633 10.7633 11.1482 11.1482 11.5702 11.5702 11.5870 11.5870 11.6047 11.6047 11.6741 11.6741 12.4324 12.4324 12.5453 12.5453 12.9116 12.9116 12.9868 12.9868 13.2900 13.2900 k = 0.0000 0.0000 0.1687 ( 2812 PWs) bands (ev): -1.2007 -1.2007 -0.1444 -0.1444 5.7875 5.7875 7.3747 7.3747 8.2203 8.2203 8.2857 8.2857 9.4225 9.4225 9.5655 9.5655 9.6571 9.6571 9.7938 9.7938 9.9803 9.9803 10.4629 10.4629 10.4740 10.4740 10.7084 10.7084 10.7704 10.7704 11.1379 11.1379 11.5668 11.5668 11.5723 11.5723 11.5738 11.5738 11.6415 11.6415 12.4428 12.4428 12.5454 12.5454 12.9697 12.9697 13.0469 13.0469 13.2901 13.2901 k = 0.0000 0.0000 0.1799 ( 2820 PWs) bands (ev): -1.1689 -1.1689 -0.1892 -0.1892 5.8370 5.8370 7.3087 7.3087 8.2229 8.2229 8.2889 8.2889 9.4240 9.4240 9.5912 9.5912 9.6551 9.6551 9.7892 9.7892 10.0184 10.0184 10.4254 10.4254 10.5009 10.5009 10.7155 10.7155 10.7790 10.7790 11.1285 11.1285 11.5301 11.5301 11.5575 11.5575 11.5678 11.5678 11.6183 11.6183 12.4528 12.4528 12.5454 12.5454 13.0281 13.0281 13.1074 13.1074 13.2903 13.2903 k = 0.0000 0.0000 0.1912 ( 2820 PWs) bands (ev): -1.1354 -1.1354 -0.2353 -0.2353 5.8887 5.8887 7.2409 7.2409 8.2254 8.2254 8.2919 8.2919 9.4256 9.4256 9.6182 9.6182 9.6529 9.6529 9.7845 9.7845 10.0580 10.0580 10.3870 10.3870 10.5255 10.5255 10.7238 10.7238 10.7888 10.7888 11.1197 11.1197 11.4944 11.4944 11.5433 11.5433 11.5457 11.5457 11.6120 11.6120 12.4623 12.4623 12.5454 12.5454 13.0863 13.0863 13.1681 13.1681 13.2905 13.2905 k = 0.0000 0.0000 0.2024 ( 2812 PWs) bands (ev): -1.1002 -1.1002 -0.2822 -0.2822 5.9425 5.9425 7.1719 7.1719 8.2279 8.2279 8.2949 8.2949 9.4271 9.4271 9.6464 9.6464 9.6507 9.6507 9.7798 9.7798 10.0981 10.0981 10.3483 10.3483 10.5474 10.5474 10.7334 10.7334 10.7998 10.7998 11.1118 11.1118 11.4601 11.4601 11.5159 11.5159 11.5296 11.5296 11.6140 11.6140 12.4712 12.4712 12.5454 12.5454 13.1439 13.1439 13.2286 13.2286 13.2909 13.2909 k = 0.0000 0.0000 0.2137 ( 2812 PWs) bands (ev): -1.0635 -1.0635 -0.3300 -0.3300 5.9982 5.9982 7.1020 7.1020 8.2302 8.2302 8.2976 8.2976 9.4284 9.4284 9.6484 9.6484 9.6756 9.6756 9.7753 9.7753 10.1380 10.1380 10.3091 10.3091 10.5666 10.5666 10.7437 10.7437 10.8115 10.8115 11.1045 11.1045 11.4274 11.4274 11.4848 11.4848 11.5167 11.5167 11.6181 11.6181 12.4794 12.4794 12.5454 12.5454 13.2003 13.2003 13.2886 13.2886 13.2919 13.2919 k = 0.0000 0.0000 0.2249 ( 2812 PWs) bands (ev): -1.0252 -1.0252 -0.3783 -0.3783 6.0555 6.0555 7.0316 7.0316 8.2323 8.2323 8.3002 8.3002 9.4297 9.4297 9.6462 9.6462 9.7057 9.7057 9.7712 9.7712 10.1768 10.1768 10.2699 10.2699 10.5828 10.5828 10.7545 10.7545 10.8237 10.8237 11.0981 11.0981 11.3965 11.3965 11.4545 11.4545 11.5046 11.5046 11.6225 11.6225 12.4867 12.4867 12.5453 12.5453 13.2530 13.2530 13.2952 13.2952 13.3476 13.3476 k = 0.0000 0.0000 0.2361 ( 2820 PWs) bands (ev): -0.9855 -0.9855 -0.4269 -0.4269 6.1143 6.1143 6.9611 6.9611 8.2342 8.2342 8.3025 8.3025 9.4308 9.4308 9.6440 9.6440 9.7360 9.7360 9.7678 9.7678 10.2136 10.2136 10.2310 10.2310 10.5959 10.5959 10.7656 10.7656 10.8361 10.8361 11.0925 11.0925 11.3680 11.3680 11.4260 11.4260 11.4939 11.4939 11.6266 11.6266 12.4931 12.4931 12.5451 12.5451 13.2828 13.2828 13.3196 13.3196 13.4050 13.4050 k = 0.0000 0.0000 0.2474 ( 2820 PWs) bands (ev): -0.9445 -0.9445 -0.4756 -0.4756 6.1743 6.1743 6.8910 6.8910 8.2359 8.2359 8.3045 8.3045 9.4318 9.4318 9.6421 9.6421 9.7596 9.7596 9.7721 9.7721 10.1927 10.1927 10.2475 10.2475 10.6061 10.6061 10.7766 10.7766 10.8482 10.8482 11.0879 11.0879 11.3423 11.3423 11.4001 11.4001 11.4846 11.4846 11.6302 11.6302 12.4988 12.4988 12.5450 12.5450 13.2870 13.2870 13.3667 13.3667 13.4599 13.4599 k = 0.0000 0.0000 0.2586 ( 2832 PWs) bands (ev): -0.9024 -0.9024 -0.5241 -0.5241 6.2349 6.2349 6.8220 6.8220 8.2373 8.2373 8.3062 8.3062 9.4324 9.4324 9.6404 9.6404 9.7593 9.7593 9.8004 9.8004 10.1558 10.1558 10.2773 10.2773 10.6135 10.6135 10.7867 10.7867 10.8593 10.8593 11.0841 11.0841 11.3200 11.3200 11.3773 11.3773 11.4767 11.4767 11.6332 11.6332 12.5035 12.5035 12.5446 12.5446 13.2880 13.2880 13.4128 13.4128 13.5109 13.5109 k = 0.0000 0.0000 0.2699 ( 2832 PWs) bands (ev): -0.8593 -0.8593 -0.5723 -0.5723 6.2951 6.2951 6.7551 6.7551 8.2384 8.2384 8.3076 8.3076 9.4331 9.4331 9.6390 9.6390 9.7573 9.7573 9.8302 9.8302 10.1211 10.1211 10.3022 10.3022 10.6184 10.6184 10.7955 10.7955 10.8690 10.8690 11.0813 11.0813 11.3017 11.3017 11.3584 11.3584 11.4706 11.4706 11.6357 11.6357 12.5072 12.5072 12.5445 12.5445 13.2884 13.2884 13.4536 13.4536 13.5563 13.5563 k = 0.0000 0.0000 0.2811 ( 2832 PWs) bands (ev): -0.8158 -0.8158 -0.6195 -0.6195 6.3526 6.3526 6.6928 6.6928 8.2392 8.2392 8.3085 8.3085 9.4336 9.4336 9.6380 9.6380 9.7556 9.7556 9.8573 9.8573 10.0907 10.0907 10.3209 10.3209 10.6213 10.6213 10.8024 10.8024 10.8766 10.8766 11.0793 11.0793 11.2880 11.2880 11.3442 11.3442 11.4661 11.4661 11.6374 11.6374 12.5100 12.5100 12.5443 12.5443 13.2886 13.2886 13.4862 13.4862 13.5931 13.5931 k = 0.0000 0.0000 0.2924 ( 2832 PWs) bands (ev): -0.7736 -0.7736 -0.6639 -0.6639 6.4010 6.4010 6.6415 6.6415 8.2397 8.2397 8.3091 8.3091 9.4339 9.4339 9.6373 9.6373 9.7546 9.7546 9.8779 9.8779 10.0681 10.0681 10.3326 10.3326 10.6228 10.6228 10.8068 10.8068 10.8814 10.8814 11.0782 11.0782 11.2796 11.2796 11.3354 11.3354 11.4635 11.4635 11.6385 11.6385 12.5116 12.5116 12.5442 12.5442 13.2887 13.2887 13.5076 13.5076 13.6177 13.6177 k = 0.0000 0.0000 0.3036 ( 2824 PWs) bands (ev): -0.7472 -0.7472 -0.6910 -0.6910 6.4227 6.4227 6.6188 6.6188 8.2399 8.2399 8.3093 8.3093 9.4340 9.4340 9.6372 9.6372 9.7542 9.7542 9.8859 9.8859 10.0594 10.0594 10.3366 10.3366 10.6233 10.6233 10.8083 10.8083 10.8830 10.8830 11.0778 11.0778 11.2770 11.2770 11.3326 11.3326 11.4626 11.4626 11.6390 11.6390 12.5122 12.5122 12.5442 12.5442 13.2887 13.2887 13.5151 13.5151 13.6264 13.6264 k = 0.0000 0.0000 0.3036 ( 2824 PWs) bands (ev): -0.7472 -0.7472 -0.6910 -0.6910 6.4227 6.4227 6.6188 6.6188 8.2399 8.2399 8.3093 8.3093 9.4340 9.4340 9.6372 9.6372 9.7542 9.7542 9.8859 9.8859 10.0594 10.0594 10.3366 10.3366 10.6233 10.6233 10.8083 10.8083 10.8830 10.8830 11.0778 11.0778 11.2770 11.2770 11.3326 11.3326 11.4626 11.4626 11.6390 11.6390 12.5122 12.5122 12.5442 12.5442 13.2887 13.2887 13.5151 13.5151 13.6264 13.6264 k = 0.0000 0.0114 0.3036 ( 2832 PWs) bands (ev): -0.7462 -0.7462 -0.6901 -0.6901 6.4233 6.4233 6.6186 6.6186 8.2383 8.2383 8.3079 8.3079 9.4343 9.4343 9.6242 9.6242 9.7366 9.7366 9.9113 9.9113 10.0586 10.0586 10.3369 10.3369 10.6160 10.6160 10.8121 10.8121 10.8861 10.8861 11.0780 11.0780 11.2768 11.2768 11.3318 11.3318 11.4659 11.4659 11.6404 11.6404 12.5119 12.5119 12.5435 12.5435 13.2850 13.2850 13.5153 13.5153 13.6266 13.6266 k = 0.0000 0.0227 0.3036 ( 2824 PWs) bands (ev): -0.7431 -0.7431 -0.6872 -0.6872 6.4251 6.4251 6.6180 6.6180 8.2332 8.2332 8.3040 8.3040 9.4356 9.4356 9.5846 9.5846 9.7096 9.7096 9.9625 9.9625 10.0562 10.0562 10.3378 10.3378 10.5971 10.5971 10.8195 10.8195 10.8965 10.8965 11.0785 11.0785 11.2764 11.2764 11.3311 11.3311 11.4754 11.4754 11.6452 11.6452 12.5109 12.5109 12.5417 12.5417 13.2741 13.2741 13.5145 13.5145 13.6282 13.6282 k = 0.0000 0.0341 0.3036 ( 2824 PWs) bands (ev): -0.7381 -0.7381 -0.6824 -0.6824 6.4280 6.4280 6.6170 6.6170 8.2234 8.2234 8.2987 8.2987 9.4374 9.4374 9.5242 9.5242 9.6877 9.6877 10.0187 10.0187 10.0521 10.0521 10.3396 10.3396 10.5722 10.5722 10.8239 10.8239 10.9155 10.9155 11.0792 11.0792 11.2745 11.2745 11.3326 11.3326 11.4900 11.4900 11.6529 11.6529 12.5093 12.5093 12.5386 12.5386 13.2573 13.2573 13.5096 13.5096 13.6337 13.6337 k = 0.0000 0.0455 0.3036 ( 2824 PWs) bands (ev): -0.7310 -0.7310 -0.6758 -0.6758 6.4321 6.4321 6.6153 6.6153 8.2077 8.2077 8.2935 8.2935 9.4387 9.4387 9.4544 9.4544 9.6674 9.6674 10.0449 10.0449 10.0743 10.0743 10.3429 10.3429 10.5456 10.5456 10.8236 10.8236 10.9408 10.9408 11.0799 11.0799 11.2700 11.2700 11.3383 11.3383 11.5088 11.5088 11.6635 11.6635 12.5070 12.5070 12.5341 12.5341 13.2358 13.2358 13.4980 13.4980 13.6135 13.6135 k = 0.0000 0.0568 0.3036 ( 2820 PWs) bands (ev): -0.7220 -0.7220 -0.6672 -0.6672 6.4370 6.4370 6.6130 6.6130 8.1850 8.1850 8.2895 8.2895 9.3757 9.3757 9.4441 9.4441 9.6456 9.6456 10.0364 10.0364 10.1245 10.1245 10.3491 10.3491 10.5200 10.5200 10.8200 10.8200 10.9687 10.9687 11.0808 11.0808 11.2631 11.2631 11.3489 11.3489 11.5309 11.5309 11.6767 11.6767 12.5041 12.5041 12.5284 12.5284 13.2109 13.2109 13.4793 13.4793 13.5542 13.5542 k = 0.0000 0.0682 0.3036 ( 2816 PWs) bands (ev): -0.7109 -0.7109 -0.6568 -0.6568 6.4429 6.4429 6.6099 6.6099 8.1556 8.1556 8.2867 8.2867 9.2962 9.2962 9.4480 9.4480 9.6215 9.6215 10.0251 10.0251 10.1674 10.1674 10.3600 10.3600 10.4973 10.4973 10.8143 10.8143 10.9956 10.9956 11.0826 11.0826 11.2548 11.2548 11.3637 11.3637 11.5558 11.5558 11.6922 11.6922 12.5007 12.5007 12.5215 12.5215 13.1831 13.1831 13.4539 13.4539 13.4958 13.4958 k = 0.0000 0.0795 0.3036 ( 2820 PWs) bands (ev): -0.6980 -0.6980 -0.6446 -0.6446 6.4493 6.4493 6.6058 6.6058 8.1199 8.1199 8.2850 8.2850 9.2150 9.2150 9.4528 9.4528 9.5948 9.5948 10.0109 10.0109 10.2000 10.2000 10.3779 10.3779 10.4786 10.4786 10.8071 10.8071 11.0176 11.0176 11.0875 11.0875 11.2460 11.2460 11.3821 11.3821 11.5829 11.5829 11.7097 11.7097 12.4964 12.4964 12.5133 12.5133 13.1531 13.1531 13.4180 13.4180 13.4446 13.4446 k = 0.0000 0.0909 0.3036 ( 2818 PWs) bands (ev): -0.6831 -0.6831 -0.6305 -0.6305 6.4562 6.4562 6.6004 6.6004 8.0787 8.0787 8.2840 8.2840 9.1331 9.1331 9.4584 9.4584 9.5658 9.5658 9.9942 9.9942 10.2212 10.2212 10.4040 10.4040 10.4645 10.4645 10.7993 10.7993 11.0306 11.0306 11.0986 11.0986 11.2376 11.2376 11.4034 11.4034 11.6121 11.6121 11.7290 11.7290 12.4915 12.4915 12.5039 12.5039 13.1212 13.1212 13.3662 13.3662 13.4083 13.4083 k = 0.0000 0.1023 0.3036 ( 2822 PWs) bands (ev): -0.6663 -0.6663 -0.6147 -0.6147 6.4631 6.4631 6.5935 6.5935 8.0325 8.0325 8.2836 8.2836 9.0510 9.0510 9.4646 9.4646 9.5348 9.5348 9.9751 9.9751 10.2323 10.2323 10.4365 10.4365 10.4554 10.4554 10.7911 10.7911 11.0338 11.0338 11.1154 11.1154 11.2307 11.2307 11.4271 11.4271 11.6430 11.6430 11.7498 11.7498 12.4857 12.4857 12.4936 12.4936 13.0878 13.0878 13.3095 13.3095 13.3772 13.3773 k = 0.0000 0.1136 0.3036 ( 2818 PWs) bands (ev): -0.6477 -0.6477 -0.5971 -0.5971 6.4698 6.4698 6.5848 6.5848 7.9824 7.9824 8.2835 8.2835 8.9697 8.9697 9.4710 9.4710 9.5026 9.5026 9.9542 9.9542 10.2361 10.2361 10.4509 10.4509 10.4728 10.4728 10.7829 10.7829 11.0305 11.0305 11.1327 11.1327 11.2269 11.2269 11.4524 11.4524 11.6751 11.6751 11.7719 11.7719 12.4785 12.4785 12.4831 12.4831 13.0531 13.0531 13.2529 13.2529 13.3479 13.3479 k = 0.0000 0.1250 0.3036 ( 2820 PWs) bands (ev): -0.6273 -0.6273 -0.5778 -0.5778 6.4757 6.4757 6.5738 6.5738 7.9289 7.9289 8.2837 8.2837 8.8896 8.8896 9.4636 9.4636 9.4834 9.4834 9.9321 9.9321 10.2354 10.2354 10.4509 10.4509 10.5101 10.5101 10.7750 10.7750 11.0236 11.0236 11.1453 11.1453 11.2287 11.2287 11.4789 11.4789 11.7079 11.7079 11.7952 11.7952 12.4674 12.4674 12.4744 12.4744 13.0172 13.0172 13.1972 13.1972 13.3205 13.3205 k = 0.0000 0.1364 0.3036 ( 2820 PWs) bands (ev): -0.6051 -0.6051 -0.5569 -0.5569 6.4802 6.4802 6.5604 6.5604 7.8734 7.8734 8.2841 8.2841 8.8113 8.8113 9.4297 9.4297 9.4903 9.4903 9.9093 9.9093 10.2313 10.2313 10.4549 10.4549 10.5473 10.5473 10.7675 10.7675 11.0143 11.0143 11.1503 11.1503 11.2379 11.2379 11.5059 11.5059 11.7408 11.7408 11.8194 11.8194 12.4537 12.4537 12.4667 12.4667 12.9804 12.9804 13.1428 13.1428 13.2958 13.2958 k = 0.0000 0.1477 0.3036 ( 2824 PWs) bands (ev): -0.5813 -0.5813 -0.5344 -0.5344 6.4828 6.4828 6.5439 6.5439 7.8169 7.8169 8.2847 8.2847 8.7356 8.7356 9.3932 9.3932 9.4997 9.4997 9.8864 9.8864 10.2250 10.2250 10.4624 10.4624 10.5836 10.5836 10.7608 10.7608 11.0030 11.0030 11.1488 11.1488 11.2529 11.2529 11.5331 11.5331 11.7733 11.7733 11.8447 11.8447 12.4386 12.4386 12.4587 12.4587 12.9428 12.9428 13.0898 13.0898 13.2744 13.2744 k = 0.0000 0.1591 0.3036 ( 2824 PWs) bands (ev): -0.5558 -0.5558 -0.5103 -0.5103 6.4825 6.4825 6.5242 6.5242 7.7607 7.7607 8.2854 8.2854 8.6630 8.6630 9.3557 9.3557 9.5103 9.5103 9.8641 9.8641 10.2169 10.2169 10.4729 10.4729 10.6187 10.6187 10.7549 10.7549 10.9903 10.9903 11.1435 11.1435 11.2704 11.2704 11.5599 11.5599 11.8047 11.8047 11.8707 11.8707 12.4225 12.4225 12.4504 12.4504 12.9047 12.9047 13.0381 13.0381 13.2571 13.2571 k = 0.0000 0.1705 0.3036 ( 2826 PWs) bands (ev): -0.5288 -0.5288 -0.4848 -0.4848 6.4783 6.4783 6.5007 6.5007 7.7062 7.7062 8.2862 8.2862 8.5941 8.5941 9.3177 9.3177 9.5217 9.5217 9.8425 9.8425 10.2073 10.2073 10.4860 10.4860 10.6525 10.6525 10.7501 10.7501 10.9761 10.9761 11.1365 11.1365 11.2887 11.2887 11.5860 11.5860 11.8344 11.8344 11.8972 11.8972 12.4052 12.4052 12.4416 12.4416 12.8661 12.8661 12.9877 12.9877 13.2443 13.2443 k = 0.0000 0.1818 0.3036 ( 2810 PWs) bands (ev): -0.5003 -0.5003 -0.4578 -0.4578 6.4690 6.4690 6.4736 6.4736 7.6550 7.6550 8.2871 8.2871 8.5296 8.5296 9.2794 9.2794 9.5340 9.5340 9.8221 9.8221 10.1968 10.1968 10.5014 10.5014 10.6852 10.6852 10.7465 10.7465 10.9607 10.9607 11.1287 11.1287 11.3066 11.3066 11.6110 11.6110 11.8623 11.8623 11.9238 11.9238 12.3871 12.3871 12.4328 12.4328 12.8275 12.8275 12.9389 12.9389 13.2370 13.2370 k = 0.0000 0.1932 0.3036 ( 2810 PWs) bands (ev): -0.4704 -0.4704 -0.4296 -0.4296 6.4412 6.4412 6.4546 6.4546 7.6085 7.6085 8.2879 8.2879 8.4699 8.4699 9.2409 9.2409 9.5471 9.5471 9.8029 9.8029 10.1852 10.1852 10.5187 10.5187 10.7164 10.7164 10.7443 10.7443 10.9442 10.9442 11.1205 11.1205 11.3236 11.3236 11.6344 11.6344 11.8879 11.8879 11.9496 11.9496 12.3679 12.3679 12.4237 12.4237 12.7889 12.7889 12.8913 12.8913 13.2352 13.2352 k = 0.0000 0.2045 0.3036 ( 2818 PWs) bands (ev): -0.4393 -0.4393 -0.4001 -0.4001 6.4048 6.4048 6.4327 6.4327 7.5683 7.5683 8.2888 8.2888 8.4155 8.4155 9.2025 9.2025 9.5611 9.5611 9.7850 9.7850 10.1729 10.1729 10.5375 10.5375 10.7406 10.7406 10.7492 10.7492 10.9266 10.9266 11.1121 11.1121 11.3392 11.3392 11.6559 11.6559 11.9115 11.9115 11.9738 11.9738 12.3477 12.3477 12.4146 12.4146 12.7505 12.7505 12.8451 12.8451 13.2395 13.2395 k = 0.0000 0.2159 0.3036 ( 2810 PWs) bands (ev): -0.4069 -0.4069 -0.3694 -0.3694 6.3638 6.3638 6.4031 6.4031 7.5355 7.5355 8.2892 8.2892 8.3670 8.3670 9.1642 9.1642 9.5760 9.5760 9.7687 9.7687 10.1601 10.1601 10.5576 10.5576 10.7426 10.7426 10.7769 10.7769 10.9081 10.9081 11.1040 11.1040 11.3536 11.3536 11.6753 11.6753 11.9330 11.9330 11.9958 11.9958 12.3267 12.3267 12.4059 12.4059 12.7127 12.7127 12.8005 12.8005 13.2503 13.2503 k = 0.0000 0.2273 0.3036 ( 2810 PWs) bands (ev): -0.3735 -0.3735 -0.3378 -0.3378 6.3183 6.3183 6.3656 6.3656 7.5109 7.5109 8.2874 8.2874 8.3263 8.3263 9.1262 9.1262 9.5919 9.5919 9.7539 9.7539 10.1468 10.1468 10.5788 10.5788 10.7446 10.7446 10.8050 10.8050 10.8888 10.8888 11.0959 11.0959 11.3666 11.3666 11.6921 11.6921 11.9523 11.9523 12.0153 12.0153 12.3049 12.3049 12.3974 12.3974 12.6758 12.6758 12.7573 12.7573 13.2676 13.2676 k = 0.0000 0.2386 0.3036 ( 2806 PWs) bands (ev): -0.3391 -0.3391 -0.3052 -0.3052 6.2682 6.2682 6.3202 6.3202 7.4947 7.4947 8.2729 8.2729 8.3042 8.3042 9.0886 9.0886 9.6088 9.6088 9.7406 9.7406 10.1331 10.1331 10.6008 10.6008 10.7479 10.7479 10.8314 10.8314 10.8699 10.8699 11.0880 11.0880 11.3779 11.3779 11.7061 11.7061 11.9689 11.9689 12.0322 12.0322 12.2823 12.2823 12.3894 12.3894 12.6398 12.6398 12.7157 12.7157 13.2914 13.2914 k = 0.0000 0.2500 0.3036 ( 2814 PWs) bands (ev): -0.3038 -0.3038 -0.2718 -0.2718 6.2141 6.2141 6.2675 6.2675 7.4868 7.4868 8.2448 8.2448 8.3010 8.3010 9.0515 9.0515 9.6263 9.6263 9.7289 9.7289 10.1193 10.1193 10.6232 10.6232 10.7527 10.7527 10.8418 10.8418 10.8658 10.8658 11.0803 11.0803 11.3877 11.3877 11.7169 11.7169 11.9821 11.9821 12.0471 12.0471 12.2589 12.2589 12.3818 12.3818 12.6053 12.6053 12.6758 12.6758 13.3216 13.3216 k = 0.0000 0.2614 0.3036 ( 2808 PWs) bands (ev): -0.2679 -0.2679 -0.2377 -0.2377 6.1563 6.1563 6.2085 6.2085 7.4865 7.4865 8.2180 8.2180 8.3020 8.3020 9.0150 9.0150 9.6447 9.6447 9.7188 9.7188 10.1054 10.1054 10.6454 10.6454 10.7592 10.7592 10.8241 10.8241 10.8892 10.8892 11.0730 11.0730 11.3957 11.3957 11.7245 11.7245 11.9911 11.9911 12.0611 12.0611 12.2350 12.2350 12.3749 12.3749 12.5725 12.5725 12.6374 12.6374 13.3580 13.3580 k = 0.0000 0.2727 0.3036 ( 2808 PWs) bands (ev): -0.2315 -0.2315 -0.2032 -0.2032 6.0953 6.0953 6.1443 6.1443 7.4931 7.4931 8.1952 8.1952 8.3039 8.3039 8.9791 8.9791 9.6638 9.6638 9.7104 9.7104 10.0916 10.0916 10.6667 10.6667 10.7670 10.7670 10.8047 10.8047 10.9146 10.9146 11.0658 11.0658 11.4021 11.4021 11.7285 11.7285 11.9953 11.9953 12.0748 12.0748 12.2105 12.2105 12.3684 12.3684 12.5416 12.5416 12.6009 12.6009 13.4001 13.4001 k = 0.0000 0.2841 0.3036 ( 2808 PWs) bands (ev): -0.1947 -0.1947 -0.1682 -0.1682 6.0317 6.0317 6.0761 6.0761 7.5056 7.5056 8.1764 8.1764 8.3064 8.3064 8.9440 8.9440 9.6833 9.6833 9.7039 9.7039 10.0780 10.0780 10.6849 10.6849 10.7735 10.7735 10.7901 10.7901 10.9397 10.9397 11.0590 11.0590 11.4069 11.4069 11.7287 11.7287 11.9947 11.9947 12.0886 12.0886 12.1856 12.1856 12.3622 12.3622 12.5129 12.5129 12.5664 12.5664 13.4475 13.4475 k = 0.0000 0.2955 0.3036 ( 2804 PWs) bands (ev): -0.1577 -0.1577 -0.1331 -0.1331 5.9662 5.9662 6.0052 6.0052 7.5230 7.5230 8.1613 8.1613 8.3093 8.3093 8.9097 8.9097 9.6953 9.6953 9.7075 9.7075 10.0645 10.0645 10.6950 10.6950 10.7707 10.7707 10.7939 10.7939 10.9643 10.9643 11.0527 11.0527 11.4098 11.4098 11.7251 11.7251 11.9900 11.9900 12.1026 12.1026 12.1605 12.1605 12.3562 12.3562 12.4866 12.4866 12.5338 12.5338 13.4997 13.4997 k = 0.0000 0.3068 0.3036 ( 2806 PWs) bands (ev): -0.1208 -0.1208 -0.0980 -0.0980 5.8994 5.8994 5.9327 5.9327 7.5446 7.5446 8.1493 8.1493 8.3126 8.3126 8.8762 8.8762 9.6928 9.6928 9.7279 9.7279 10.0513 10.0513 10.6902 10.6902 10.7743 10.7743 10.8068 10.8068 10.9881 10.9881 11.0470 11.0470 11.4106 11.4106 11.7175 11.7175 11.9818 11.9818 12.1155 12.1155 12.1360 12.1360 12.3503 12.3503 12.4628 12.4628 12.5033 12.5033 13.5562 13.5562 k = 0.0000 0.3182 0.3036 ( 2798 PWs) bands (ev): -0.0840 -0.0840 -0.0631 -0.0631 5.8320 5.8320 5.8596 5.8596 7.5694 7.5694 8.1401 8.1401 8.3164 8.3164 8.8436 8.8436 9.6906 9.6906 9.7504 9.7504 10.0383 10.0383 10.6730 10.6730 10.7879 10.7879 10.8230 10.8230 11.0105 11.0105 11.0426 11.0426 11.4097 11.4097 11.7062 11.7062 11.9710 11.9710 12.1073 12.1073 12.1327 12.1327 12.3443 12.3443 12.4416 12.4416 12.4750 12.4750 13.6164 13.6164 k = 0.0000 0.3295 0.3036 ( 2794 PWs) bands (ev): -0.0477 -0.0477 -0.0285 -0.0285 5.7647 5.7647 5.7869 5.7869 7.5968 7.5968 8.1330 8.1330 8.3206 8.3206 8.8119 8.8119 9.6898 9.6898 9.7738 9.7738 10.0257 10.0257 10.6499 10.6499 10.8055 10.8055 10.8412 10.8412 11.0264 11.0264 11.0444 11.0444 11.4070 11.4070 11.6911 11.6911 11.9583 11.9583 12.0827 12.0827 12.1455 12.1455 12.3382 12.3382 12.4225 12.4225 12.4490 12.4490 13.6798 13.6798 k = 0.0000 0.3409 0.3036 ( 2790 PWs) bands (ev): -0.0120 -0.0120 0.0055 0.0055 5.6981 5.6981 5.7153 5.7153 7.6261 7.6261 8.1276 8.1276 8.3252 8.3252 8.7812 8.7812 9.6905 9.6905 9.7980 9.7980 10.0133 10.0133 10.6244 10.6244 10.8243 10.8243 10.8610 10.8610 11.0275 11.0275 11.0611 11.0611 11.4026 11.4026 11.6725 11.6725 11.9443 11.9443 12.0577 12.0577 12.1585 12.1585 12.3318 12.3318 12.4054 12.4054 12.4257 12.4257 13.7460 13.7460 k = 0.0000 0.3523 0.3036 ( 2788 PWs) bands (ev): 0.0228 0.0228 0.0386 0.0386 5.6329 5.6329 5.6457 5.6457 7.6569 7.6569 8.1235 8.1235 8.3304 8.3304 8.7515 8.7515 9.6927 9.6927 9.8229 9.8229 10.0012 10.0012 10.5972 10.5972 10.8435 10.8435 10.8817 10.8817 11.0249 11.0249 11.0814 11.0814 11.3963 11.3963 11.6508 11.6508 11.9297 11.9297 12.0330 12.0330 12.1710 12.1710 12.3254 12.3254 12.3894 12.3894 12.4058 12.4058 13.8145 13.8145 k = 0.0000 0.3636 0.3036 ( 2784 PWs) bands (ev): 0.0565 0.0565 0.0706 0.0706 5.5696 5.5696 5.5787 5.5787 7.6885 7.6885 8.1201 8.1201 8.3362 8.3362 8.7228 8.7228 9.6963 9.6963 9.8485 9.8485 9.9893 9.9893 10.5690 10.5690 10.8631 10.8631 10.9025 10.9025 11.0228 11.0228 11.1014 11.1014 11.3885 11.3885 11.6263 11.6263 11.9146 11.9146 12.0089 12.0089 12.1831 12.1831 12.3188 12.3188 12.3733 12.3733 12.3899 12.3899 13.8848 13.8848 k = 0.0000 0.3750 0.3036 ( 2782 PWs) bands (ev): 0.0888 0.0888 0.1014 0.1014 5.5089 5.5089 5.5149 5.5149 7.7207 7.7207 8.1170 8.1170 8.3425 8.3425 8.6951 8.6951 9.7015 9.7015 9.8746 9.8746 9.9776 9.9776 10.5400 10.5400 10.8830 10.8830 10.9226 10.9226 11.0219 11.0219 11.1207 11.1207 11.3792 11.3792 11.5995 11.5995 11.8996 11.8996 11.9858 11.9858 12.1945 12.1945 12.3123 12.3123 12.3572 12.3572 12.3777 12.3777 13.9567 13.9567 k = 0.0000 0.3864 0.3036 ( 2778 PWs) bands (ev): 0.1195 0.1195 0.1305 0.1305 5.4512 5.4512 5.4550 5.4550 7.7530 7.7530 8.1139 8.1139 8.3494 8.3494 8.6685 8.6685 9.7080 9.7080 9.9011 9.9011 9.9663 9.9663 10.5104 10.5104 10.9030 10.9030 10.9415 10.9415 11.0232 11.0232 11.1389 11.1389 11.3688 11.3688 11.5706 11.5706 11.8852 11.8852 11.9636 11.9636 12.2052 12.2052 12.3059 12.3059 12.3419 12.3419 12.3678 12.3678 14.0296 14.0296 k = 0.0000 0.3977 0.3036 ( 2776 PWs) bands (ev): 0.1482 0.1482 0.1579 0.1579 5.3969 5.3969 5.3995 5.3995 7.7850 7.7850 8.1103 8.1103 8.3570 8.3570 8.6430 8.6430 9.7158 9.7158 9.9266 9.9266 9.9564 9.9564 10.4804 10.4804 10.9226 10.9226 10.9578 10.9578 11.0278 11.0278 11.1562 11.1562 11.3574 11.3574 11.5401 11.5401 11.8717 11.8717 11.9427 11.9427 12.2151 12.2151 12.3000 12.3000 12.3282 12.3282 12.3595 12.3595 14.1031 14.1031 k = 0.0000 0.4091 0.3036 ( 2778 PWs) bands (ev): 0.1749 0.1749 0.1832 0.1832 5.3464 5.3464 5.3490 5.3490 7.8165 7.8165 8.1060 8.1060 8.3652 8.3652 8.6185 8.6185 9.7249 9.7249 9.9361 9.9361 9.9628 9.9628 10.4500 10.4500 10.9412 10.9412 10.9707 10.9707 11.0370 11.0370 11.1721 11.1721 11.3454 11.3454 11.5084 11.5084 11.8593 11.8593 11.9231 11.9231 12.2241 12.2241 12.2947 12.2947 12.3161 12.3161 12.3522 12.3522 14.1767 14.1767 k = 0.0000 0.4205 0.3036 ( 2778 PWs) bands (ev): 0.1991 0.1991 0.2061 0.2061 5.3006 5.3006 5.3036 5.3036 7.8471 7.8471 8.1008 8.1008 8.3742 8.3742 8.5950 8.5950 9.7352 9.7352 9.9263 9.9263 9.9889 9.9889 10.4192 10.4192 10.9582 10.9582 10.9801 10.9801 11.0512 11.0512 11.1867 11.1867 11.3331 11.3331 11.4758 11.4758 11.8484 11.8484 11.9049 11.9049 12.2322 12.2322 12.2899 12.2899 12.3059 12.3059 12.3456 12.3456 14.2502 14.2502 k = 0.0000 0.4318 0.3036 ( 2782 PWs) bands (ev): 0.2207 0.2207 0.2265 0.2265 5.2601 5.2601 5.2633 5.2633 7.8765 7.8765 8.0942 8.0942 8.3840 8.3840 8.5726 8.5726 9.7465 9.7465 9.9140 9.9140 10.0175 10.0175 10.3882 10.3882 10.9727 10.9727 10.9873 10.9873 11.0699 11.0699 11.1999 11.1999 11.3210 11.3210 11.4426 11.4426 11.8390 11.8390 11.8883 11.8883 12.2392 12.2392 12.2856 12.2856 12.2979 12.2979 12.3394 12.3394 14.3229 14.3229 k = 0.0000 0.4432 0.3036 ( 2782 PWs) bands (ev): 0.2394 0.2394 0.2442 0.2442 5.2253 5.2253 5.2285 5.2285 7.9047 7.9047 8.0863 8.0863 8.3945 8.3945 8.5514 8.5514 9.7588 9.7588 9.9010 9.9010 10.0469 10.0469 10.3570 10.3570 10.9837 10.9837 10.9938 10.9938 11.0920 11.0920 11.2117 11.2117 11.3095 11.3095 11.4093 11.4093 11.8316 11.8316 11.8733 11.8733 12.2448 12.2448 12.2811 12.2811 12.2932 12.2932 12.3336 12.3336 14.3943 14.3943 k = 0.0000 0.4545 0.3036 ( 2776 PWs) bands (ev): 0.2551 0.2551 0.2588 0.2588 5.1965 5.1965 5.1995 5.1995 7.9313 7.9313 8.0767 8.0767 8.4060 8.4060 8.5312 8.5312 9.7720 9.7720 9.8875 9.8875 10.0769 10.0769 10.3256 10.3256 10.9912 10.9912 11.0002 11.0002 11.1168 11.1168 11.2220 11.2220 11.2987 11.2987 11.3761 11.3761 11.8262 11.8262 11.8601 11.8601 12.2491 12.2491 12.2759 12.2759 12.2921 12.2921 12.3280 12.3280 14.4638 14.4638 k = 0.0000 0.4659 0.3036 ( 2776 PWs) bands (ev): 0.2676 0.2676 0.2703 0.2703 5.1740 5.1740 5.1765 5.1765 7.9562 7.9562 8.0654 8.0654 8.4182 8.4182 8.5120 8.5120 9.7858 9.7858 9.8735 9.8735 10.1073 10.1073 10.2942 10.2942 10.9967 10.9967 11.0053 11.0053 11.1433 11.1433 11.2307 11.2307 11.2889 11.2889 11.3437 11.3437 11.8229 11.8229 11.8486 11.8486 12.2521 12.2521 12.2708 12.2708 12.2938 12.2938 12.3225 12.3225 14.5304 14.5304 k = 0.0000 0.4773 0.3036 ( 2784 PWs) bands (ev): 0.2767 0.2767 0.2785 0.2785 5.1580 5.1580 5.1597 5.1597 7.9793 7.9793 8.0521 8.0521 8.4314 8.4314 8.4939 8.4939 9.8002 9.8002 9.8590 9.8590 10.1380 10.1380 10.2627 10.2627 11.0012 11.0012 11.0081 11.0081 11.1711 11.1711 11.2370 11.2370 11.2803 11.2803 11.3132 11.3132 11.8217 11.8217 11.8391 11.8391 12.2544 12.2544 12.2662 12.2662 12.2971 12.2971 12.3170 12.3170 14.5934 14.5934 k = 0.0000 0.4886 0.3036 ( 2780 PWs) bands (ev): 0.2824 0.2824 0.2833 0.2833 5.1485 5.1485 5.1494 5.1494 8.0005 8.0005 8.0369 8.0369 8.4456 8.4456 8.4768 8.4768 9.8148 9.8148 9.8443 9.8443 10.1690 10.1690 10.2314 10.2314 11.0049 11.0049 11.0088 11.0088 11.1989 11.1989 11.2375 11.2375 11.2741 11.2741 11.2881 11.2881 11.8228 11.8228 11.8316 11.8316 12.2567 12.2567 12.2624 12.2624 12.3016 12.3016 12.3117 12.3117 14.6521 14.6521 k = 0.0000 0.5000 0.3036 ( 2776 PWs) bands (ev): 0.2846 0.2846 0.2846 0.2846 5.1456 5.1456 5.1456 5.1456 8.0197 8.0197 8.0197 8.0197 8.4607 8.4607 8.4607 8.4607 9.8296 9.8296 9.8296 9.8296 10.2001 10.2001 10.2001 10.2001 11.0076 11.0076 11.0076 11.0076 11.2238 11.2238 11.2238 11.2238 11.2751 11.2751 11.2751 11.2751 11.8261 11.8261 11.8261 11.8261 12.2593 12.2593 12.2593 12.2593 12.3066 12.3066 12.3066 12.3066 14.7054 14.7054 k = 0.0000 0.5000 0.3036 ( 2776 PWs) bands (ev): 0.2846 0.2846 0.2846 0.2846 5.1456 5.1456 5.1456 5.1456 8.0197 8.0197 8.0197 8.0197 8.4607 8.4607 8.4607 8.4607 9.8296 9.8296 9.8296 9.8296 10.2001 10.2001 10.2001 10.2001 11.0076 11.0076 11.0076 11.0076 11.2238 11.2238 11.2238 11.2238 11.2751 11.2751 11.2751 11.2751 11.8261 11.8261 11.8261 11.8261 12.2593 12.2593 12.2593 12.2593 12.3066 12.3066 12.3066 12.3066 14.7054 14.7054 k = 0.0114 0.5000 0.3036 ( 2776 PWs) bands (ev): 0.2851 0.2851 0.2853 0.2853 5.1466 5.1466 5.1471 5.1471 8.0197 8.0197 8.0205 8.0205 8.4585 8.4585 8.4585 8.4585 9.8294 9.8294 9.8301 9.8301 10.1993 10.1993 10.2001 10.2001 11.0074 11.0074 11.0080 11.0080 11.2056 11.2056 11.2142 11.2142 11.2849 11.2849 11.2924 11.2924 11.8261 11.8261 11.8264 11.8264 12.2582 12.2582 12.2605 12.2605 12.3062 12.3062 12.3072 12.3072 14.7028 14.7040 k = 0.0227 0.5000 0.3036 ( 2784 PWs) bands (ev): 0.2868 0.2868 0.2872 0.2872 5.1502 5.1502 5.1510 5.1510 8.0205 8.0205 8.0222 8.0222 8.4518 8.4518 8.4519 8.4519 9.8293 9.8293 9.8307 9.8307 10.1977 10.1977 10.1994 10.1994 11.0075 11.0075 11.0087 11.0087 11.1784 11.1784 11.1893 11.1893 11.3097 11.3097 11.3182 11.3182 11.8263 11.8263 11.8268 11.8268 12.2572 12.2572 12.2619 12.2619 12.3061 12.3061 12.3079 12.3079 14.6967 14.6969 k = 0.0341 0.5000 0.3036 ( 2784 PWs) bands (ev): 0.2897 0.2897 0.2902 0.2902 5.1562 5.1562 5.1574 5.1574 8.0222 8.0222 8.0248 8.0248 8.4408 8.4408 8.4411 8.4411 9.8295 9.8295 9.8315 9.8315 10.1954 10.1954 10.1980 10.1980 11.0073 11.0073 11.0091 11.0091 11.1502 11.1502 11.1620 11.1620 11.3369 11.3369 11.3451 11.3451 11.8267 11.8267 11.8275 11.8275 12.2564 12.2564 12.2635 12.2635 12.3064 12.3064 12.3091 12.3091 14.6874 14.6882 k = 0.0455 0.5000 0.3036 ( 2784 PWs) bands (ev): 0.2938 0.2938 0.2945 0.2945 5.1646 5.1646 5.1663 5.1663 8.0246 8.0246 8.0283 8.0283 8.4256 8.4256 8.4261 8.4261 9.8297 9.8297 9.8325 9.8325 10.1925 10.1925 10.1959 10.1959 11.0057 11.0057 11.0083 11.0083 11.1234 11.1234 11.1358 11.1358 11.3640 11.3640 11.3716 11.3716 11.8273 11.8273 11.8284 11.8284 12.2559 12.2559 12.2652 12.2652 12.3069 12.3069 12.3105 12.3105 14.6742 14.6745 k = 0.0568 0.5000 0.3036 ( 2784 PWs) bands (ev): 0.2991 0.2991 0.2999 0.2999 5.1755 5.1755 5.1777 5.1777 8.0277 8.0277 8.0326 8.0326 8.4062 8.4062 8.4072 8.4072 9.8299 9.8299 9.8335 9.8335 10.1889 10.1889 10.1933 10.1933 11.0006 11.0006 11.0043 11.0043 11.1007 11.1007 11.1133 11.1133 11.3902 11.3902 11.3971 11.3971 11.8281 11.8281 11.8296 11.8296 12.2556 12.2556 12.2671 12.2671 12.3078 12.3078 12.3121 12.3121 14.6565 14.6567 k = 0.0682 0.5000 0.3036 ( 2792 PWs) bands (ev): 0.3055 0.3055 0.3064 0.3064 5.1889 5.1889 5.1914 5.1914 8.0314 8.0314 8.0377 8.0377 8.3828 8.3828 8.3845 8.3845 9.8298 9.8298 9.8343 9.8343 10.1847 10.1847 10.1903 10.1903 10.9889 10.9889 10.9942 10.9942 11.0853 11.0853 11.0974 11.0974 11.4152 11.4152 11.4213 11.4213 11.8290 11.8290 11.8311 11.8311 12.2555 12.2555 12.2691 12.2691 12.3088 12.3088 12.3140 12.3140 14.6338 14.6339 k = 0.0795 0.5000 0.3036 ( 2792 PWs) bands (ev): 0.3130 0.3130 0.3141 0.3141 5.2046 5.2046 5.2076 5.2076 8.0354 8.0354 8.0435 8.0435 8.3556 8.3556 8.3585 8.3585 9.8296 9.8296 9.8351 9.8351 10.1803 10.1803 10.1869 10.1869 10.9693 10.9693 10.9765 10.9765 11.0787 11.0787 11.0902 11.0902 11.4389 11.4389 11.4441 11.4441 11.8302 11.8302 11.8328 11.8328 12.2558 12.2558 12.2713 12.2713 12.3102 12.3102 12.3161 12.3161 14.6052 14.6052 k = 0.0909 0.5000 0.3036 ( 2788 PWs) bands (ev): 0.3216 0.3216 0.3229 0.3229 5.2227 5.2227 5.2262 5.2262 8.0397 8.0397 8.0502 8.0502 8.3249 8.3249 8.3295 8.3295 9.8289 9.8289 9.8355 9.8355 10.1755 10.1755 10.1834 10.1834 10.9437 10.9437 10.9525 10.9525 11.0791 11.0791 11.0902 11.0902 11.4609 11.4609 11.4652 11.4652 11.8315 11.8315 11.8349 11.8349 12.2564 12.2564 12.2737 12.2737 12.3120 12.3120 12.3184 12.3184 14.5701 14.5701 k = 0.1023 0.5000 0.3036 ( 2792 PWs) bands (ev): 0.3314 0.3314 0.3328 0.3328 5.2431 5.2431 5.2471 5.2471 8.0437 8.0437 8.0575 8.0575 8.2909 8.2909 8.2981 8.2981 9.8278 9.8278 9.8355 9.8355 10.1704 10.1704 10.1796 10.1796 10.9147 10.9147 10.9247 10.9247 11.0837 11.0837 11.0949 11.0949 11.4812 11.4812 11.4845 11.4845 11.8329 11.8329 11.8371 11.8371 12.2573 12.2573 12.2762 12.2762 12.3141 12.3141 12.3210 12.3210 14.5280 14.5281 k = 0.1136 0.5000 0.3036 ( 2788 PWs) bands (ev): 0.3421 0.3421 0.3437 0.3437 5.2659 5.2659 5.2703 5.2703 8.0468 8.0468 8.0653 8.0653 8.2538 8.2538 8.2652 8.2652 9.8259 9.8259 9.8348 9.8348 10.1654 10.1654 10.1759 10.1759 10.8842 10.8842 10.8950 10.8950 11.0910 11.0910 11.1026 11.1026 11.4997 11.4997 11.5020 11.5020 11.8342 11.8342 11.8395 11.8395 12.2587 12.2587 12.2790 12.2790 12.3167 12.3167 12.3239 12.3239 14.4785 14.4785 k = 0.1250 0.5000 0.3036 ( 2788 PWs) bands (ev): 0.3539 0.3539 0.3556 0.3556 5.2908 5.2908 5.2958 5.2958 8.0477 8.0477 8.0735 8.0735 8.2141 8.2141 8.2322 8.2322 9.8233 9.8233 9.8333 9.8333 10.1605 10.1605 10.1723 10.1723 10.8530 10.8530 10.8644 10.8644 11.1001 11.1001 11.1123 11.1123 11.5163 11.5163 11.5176 11.5176 11.8355 11.8355 11.8418 11.8418 12.2604 12.2604 12.2819 12.2819 12.3197 12.3197 12.3271 12.3271 14.4218 14.4218 k = 0.1364 0.5000 0.3036 ( 2792 PWs) bands (ev): 0.3666 0.3666 0.3685 0.3685 5.3180 5.3180 5.3235 5.3235 8.0441 8.0441 8.0817 8.0817 8.1723 8.1723 8.2017 8.2017 9.8197 9.8197 9.8309 9.8309 10.1558 10.1558 10.1689 10.1689 10.8214 10.8214 10.8334 10.8334 11.1104 11.1104 11.1234 11.1234 11.5310 11.5310 11.5313 11.5313 11.8366 11.8366 11.8441 11.8441 12.2626 12.2626 12.2849 12.2849 12.3232 12.3232 12.3306 12.3306 14.3586 14.3587 k = 0.1477 0.5000 0.3036 ( 2796 PWs) bands (ev): 0.3803 0.3803 0.3822 0.3822 5.3472 5.3472 5.3533 5.3533 8.0323 8.0323 8.0881 8.0881 8.1305 8.1305 8.1774 8.1774 9.8151 9.8151 9.8274 9.8274 10.1516 10.1516 10.1658 10.1658 10.7902 10.7902 10.8025 10.8025 11.1217 11.1217 11.1355 11.1355 11.5432 11.5432 11.5439 11.5439 11.8373 11.8373 11.8460 11.8460 12.2652 12.2652 12.2879 12.2879 12.3272 12.3272 12.3343 12.3343 14.2899 14.2899 k = 0.1591 0.5000 0.3036 ( 2792 PWs) bands (ev): 0.3948 0.3948 0.3969 0.3969 5.3785 5.3785 5.3852 5.3852 8.0094 8.0094 8.0718 8.0718 8.1096 8.1096 8.1627 8.1627 9.8094 9.8094 9.8228 9.8228 10.1478 10.1478 10.1631 10.1631 10.7593 10.7593 10.7720 10.7720 11.1338 11.1338 11.1486 11.1486 11.5535 11.5535 11.5551 11.5551 11.8375 11.8375 11.8474 11.8474 12.2682 12.2682 12.2910 12.2910 12.3319 12.3319 12.3384 12.3384 14.2169 14.2169 k = 0.1705 0.5000 0.3036 ( 2792 PWs) bands (ev): 0.4101 0.4101 0.4123 0.4123 5.4118 5.4118 5.4191 5.4191 7.9757 7.9757 8.0272 8.0272 8.1156 8.1156 8.1572 8.1572 9.8026 9.8026 9.8169 9.8169 10.1446 10.1446 10.1608 10.1608 10.7290 10.7290 10.7419 10.7419 11.1466 11.1466 11.1623 11.1623 11.5621 11.5621 11.5646 11.5646 11.8369 11.8369 11.8481 11.8481 12.2715 12.2715 12.2941 12.2941 12.3371 12.3371 12.3427 12.3427 14.1407 14.1407 k = 0.1818 0.5000 0.3036 ( 2796 PWs) bands (ev): 0.4262 0.4262 0.4285 0.4285 5.4469 5.4469 5.4548 5.4548 7.9344 7.9344 7.9782 7.9782 8.1247 8.1247 8.1580 8.1580 9.7946 9.7946 9.8097 9.8097 10.1420 10.1420 10.1590 10.1590 10.6993 10.6993 10.7125 10.7125 11.1599 11.1599 11.1766 11.1766 11.5694 11.5694 11.5725 11.5725 11.8354 11.8354 11.8478 11.8478 12.2751 12.2751 12.2971 12.2971 12.3430 12.3430 12.3473 12.3473 14.0624 14.0624 k = 0.1932 0.5000 0.3036 ( 2788 PWs) bands (ev): 0.4430 0.4430 0.4454 0.4454 5.4837 5.4837 5.4924 5.4924 7.8887 7.8887 7.9276 7.9276 8.1343 8.1343 8.1622 8.1622 9.7855 9.7855 9.8012 9.8012 10.1400 10.1400 10.1576 10.1576 10.6706 10.6706 10.6840 10.6840 11.1736 11.1736 11.1913 11.1913 11.5754 11.5754 11.5792 11.5792 11.8329 11.8329 11.8465 11.8465 12.2790 12.2790 12.3000 12.3000 12.3495 12.3495 12.3523 12.3523 13.9829 13.9829 k = 0.2045 0.5000 0.3036 ( 2800 PWs) bands (ev): 0.4604 0.4604 0.4628 0.4628 5.5223 5.5223 5.5316 5.5316 7.8401 7.8401 7.8760 7.8760 8.1439 8.1439 8.1683 8.1683 9.7752 9.7752 9.7913 9.7913 10.1385 10.1385 10.1564 10.1564 10.6427 10.6427 10.6562 10.6562 11.1876 11.1876 11.2062 11.2062 11.5802 11.5802 11.5846 11.5846 11.8292 11.8292 11.8441 11.8441 12.2829 12.2829 12.3028 12.3028 12.3562 12.3562 12.3574 12.3574 13.9028 13.9028 k = 0.2159 0.5000 0.3036 ( 2800 PWs) bands (ev): 0.4784 0.4784 0.4809 0.4809 5.5623 5.5623 5.5724 5.5724 7.7899 7.7899 7.8241 7.8241 8.1533 8.1533 8.1753 8.1753 9.7640 9.7640 9.7803 9.7803 10.1376 10.1376 10.1556 10.1556 10.6158 10.6158 10.6296 10.6296 11.2017 11.2017 11.2214 11.2214 11.5842 11.5842 11.5889 11.5889 11.8244 11.8244 11.8404 11.8404 12.2870 12.2870 12.3055 12.3055 12.3627 12.3627 12.3634 12.3634 13.8227 13.8227 k = 0.2273 0.5000 0.3036 ( 2796 PWs) bands (ev): 0.4968 0.4968 0.4994 0.4994 5.6036 5.6036 5.6146 5.6146 7.7390 7.7390 7.7720 7.7720 8.1623 8.1623 8.1827 8.1827 9.7518 9.7518 9.7682 9.7682 10.1371 10.1371 10.1550 10.1550 10.5902 10.5902 10.6040 10.6040 11.2160 11.2160 11.2367 11.2367 11.5873 11.5873 11.5923 11.5923 11.8184 11.8184 11.8354 11.8354 12.2910 12.2910 12.3081 12.3081 12.3681 12.3681 12.3708 12.3708 13.7430 13.7430 k = 0.2386 0.5000 0.3036 ( 2788 PWs) bands (ev): 0.5156 0.5156 0.5183 0.5183 5.6462 5.6462 5.6579 5.6579 7.6878 7.6878 7.7202 7.7202 8.1708 8.1708 8.1900 8.1900 9.7387 9.7387 9.7552 9.7552 10.1369 10.1369 10.1546 10.1546 10.5659 10.5659 10.5797 10.5797 11.2304 11.2304 11.2521 11.2521 11.5897 11.5897 11.5950 11.5950 11.8111 11.8111 11.8290 11.8290 12.2949 12.2949 12.3105 12.3105 12.3734 12.3734 12.3782 12.3782 13.6633 13.6641 k = 0.2500 0.5000 0.3036 ( 2784 PWs) bands (ev): 0.5348 0.5348 0.5374 0.5374 5.6897 5.6897 5.7024 5.7024 7.6369 7.6369 7.6691 7.6691 8.1784 8.1784 8.1968 8.1968 9.7249 9.7249 9.7411 9.7411 10.1370 10.1370 10.1541 10.1541 10.5430 10.5430 10.5568 10.5568 11.2448 11.2448 11.2673 11.2673 11.5916 11.5916 11.5969 11.5969 11.8027 11.8027 11.8214 11.8214 12.2986 12.2986 12.3128 12.3128 12.3786 12.3786 12.3853 12.3853 13.5836 13.5836 k = 0.2614 0.5000 0.3036 ( 2784 PWs) bands (ev): 0.5541 0.5541 0.5568 0.5568 5.7339 5.7339 5.7476 5.7476 7.5867 7.5867 7.6191 7.6191 8.1851 8.1851 8.2029 8.2029 9.7103 9.7103 9.7263 9.7263 10.1370 10.1370 10.1535 10.1535 10.5216 10.5216 10.5353 10.5353 11.2590 11.2590 11.2824 11.2824 11.5930 11.5930 11.5983 11.5983 11.7932 11.7932 11.8125 11.8125 12.3021 12.3021 12.3150 12.3150 12.3833 12.3833 12.3922 12.3922 13.5053 13.5053 k = 0.2727 0.5000 0.3036 ( 2784 PWs) bands (ev): 0.5736 0.5736 0.5763 0.5763 5.7787 5.7787 5.7933 5.7933 7.5378 7.5378 7.5704 7.5704 8.1906 8.1906 8.2080 8.2080 9.6952 9.6952 9.7108 9.7108 10.1371 10.1371 10.1528 10.1528 10.5018 10.5018 10.5153 10.5153 11.2730 11.2730 11.2973 11.2973 11.5940 11.5940 11.5990 11.5990 11.7827 11.7827 11.8025 11.8025 12.3052 12.3052 12.3170 12.3170 12.3877 12.3877 12.3985 12.3985 13.4287 13.4287 k = 0.2841 0.5000 0.3036 ( 2784 PWs) bands (ev): 0.5931 0.5931 0.5958 0.5958 5.8237 5.8237 5.8393 5.8393 7.4905 7.4905 7.5236 7.5236 8.1949 8.1949 8.2120 8.2120 9.6797 9.6797 9.6948 9.6948 10.1370 10.1370 10.1518 10.1518 10.4837 10.4837 10.4969 10.4969 11.2867 11.2867 11.3119 11.3119 11.5947 11.5947 11.5993 11.5993 11.7714 11.7714 11.7914 11.7914 12.3081 12.3081 12.3188 12.3188 12.3913 12.3913 12.4041 12.4041 13.3540 13.3540 k = 0.2955 0.5000 0.3036 ( 2796 PWs) bands (ev): 0.6125 0.6125 0.6152 0.6152 5.8685 5.8685 5.8852 5.8852 7.4453 7.4453 7.4790 7.4790 8.1977 8.1977 8.2145 8.2145 9.6638 9.6638 9.6784 9.6784 10.1365 10.1365 10.1503 10.1503 10.4672 10.4672 10.4800 10.4800 11.3001 11.3001 11.3261 11.3261 11.5950 11.5950 11.5990 11.5990 11.7594 11.7594 11.7794 11.7794 12.3104 12.3104 12.3203 12.3203 12.3942 12.3942 12.4089 12.4089 13.2815 13.2815 k = 0.3068 0.5000 0.3036 ( 2796 PWs) bands (ev): 0.6318 0.6318 0.6344 0.6344 5.9129 5.9129 5.9307 5.9307 7.4027 7.4027 7.4371 7.4371 8.1988 8.1988 8.2155 8.2155 9.6479 9.6479 9.6618 9.6618 10.1359 10.1359 10.1486 10.1486 10.4526 10.4526 10.4649 10.4649 11.3132 11.3132 11.3399 11.3399 11.5951 11.5951 11.5983 11.5983 11.7470 11.7470 11.7667 11.7667 12.3123 12.3123 12.3216 12.3216 12.3963 12.3963 12.4128 12.4128 13.2116 13.2116 k = 0.3182 0.5000 0.3036 ( 2796 PWs) bands (ev): 0.6507 0.6507 0.6533 0.6533 5.9564 5.9564 5.9753 5.9753 7.3633 7.3633 7.3984 7.3984 8.1981 8.1981 8.2147 8.2147 9.6319 9.6319 9.6452 9.6452 10.1350 10.1350 10.1465 10.1465 10.4396 10.4396 10.4514 10.4514 11.3258 11.3258 11.3532 11.3532 11.5949 11.5949 11.5969 11.5969 11.7345 11.7345 11.7535 11.7535 12.3138 12.3138 12.3226 12.3226 12.3975 12.3975 12.4157 12.4157 13.1446 13.1446 k = 0.3295 0.5000 0.3036 ( 2800 PWs) bands (ev): 0.6693 0.6693 0.6718 0.6718 5.9986 5.9986 6.0185 6.0185 7.3274 7.3274 7.3633 7.3633 8.1954 8.1954 8.2121 8.2121 9.6160 9.6160 9.6286 9.6286 10.1336 10.1336 10.1439 10.1439 10.4284 10.4284 10.4395 10.4395 11.3381 11.3381 11.3660 11.3660 11.5943 11.5943 11.5948 11.5948 11.7220 11.7220 11.7398 11.7398 12.3146 12.3146 12.3232 12.3232 12.3979 12.3979 12.4175 12.4175 13.0809 13.0809 k = 0.3409 0.5000 0.3036 ( 2800 PWs) bands (ev): 0.6873 0.6873 0.6898 0.6898 6.0390 6.0390 6.0598 6.0598 7.2956 7.2956 7.3322 7.3322 8.1908 8.1908 8.2073 8.2073 9.6005 9.6005 9.6124 9.6124 10.1320 10.1320 10.1411 10.1411 10.4188 10.4188 10.4292 10.4292 11.3498 11.3498 11.3782 11.3782 11.5920 11.5920 11.5934 11.5934 11.7098 11.7098 11.7260 11.7260 12.3147 12.3147 12.3235 12.3235 12.3975 12.3975 12.4182 12.4182 13.0208 13.0208 k = 0.3523 0.5000 0.3036 ( 2800 PWs) bands (ev): 0.7048 0.7048 0.7071 0.7071 6.0772 6.0772 6.0987 6.0987 7.2684 7.2684 7.3055 7.3055 8.1840 8.1840 8.2005 8.2005 9.5854 9.5854 9.5966 9.5966 10.1300 10.1300 10.1379 10.1379 10.4107 10.4107 10.4204 10.4204 11.3609 11.3609 11.3898 11.3898 11.5881 11.5881 11.5921 11.5921 11.6982 11.6982 11.7123 11.7123 12.3142 12.3142 12.3233 12.3233 12.3964 12.3964 12.4180 12.4180 12.9646 12.9646 k = 0.3636 0.5000 0.3036 ( 2796 PWs) bands (ev): 0.7215 0.7215 0.7237 0.7237 6.1127 6.1127 6.1347 6.1347 7.2463 7.2463 7.2836 7.2836 8.1752 8.1752 8.1915 8.1915 9.5710 9.5710 9.5814 9.5814 10.1278 10.1278 10.1345 10.1345 10.4041 10.4041 10.4130 10.4130 11.3715 11.3715 11.4007 11.4007 11.5832 11.5832 11.5902 11.5902 11.6876 11.6876 11.6989 11.6989 12.3130 12.3130 12.3227 12.3227 12.3949 12.3949 12.4168 12.4168 12.9126 12.9126 k = 0.3750 0.5000 0.3036 ( 2804 PWs) bands (ev): 0.7373 0.7373 0.7395 0.7395 6.1450 6.1450 6.1673 6.1673 7.2295 7.2295 7.2668 7.2668 8.1642 8.1642 8.1804 8.1804 9.5573 9.5573 9.5668 9.5668 10.1254 10.1254 10.1310 10.1310 10.3986 10.3986 10.4068 10.4068 11.3814 11.3814 11.4109 11.4109 11.5770 11.5770 11.5875 11.5875 11.6781 11.6781 11.6861 11.6861 12.3111 12.3111 12.3216 12.3216 12.3929 12.3929 12.4148 12.4148 12.8650 12.8650 k = 0.3864 0.5000 0.3036 ( 2796 PWs) bands (ev): 0.7523 0.7523 0.7542 0.7542 6.1739 6.1739 6.1960 6.1960 7.2183 7.2183 7.2550 7.2550 8.1515 8.1515 8.1673 8.1673 9.5444 9.5444 9.5532 9.5532 10.1229 10.1229 10.1276 10.1276 10.3943 10.3943 10.4017 10.4017 11.3909 11.3909 11.4206 11.4206 11.5696 11.5696 11.5841 11.5841 11.6699 11.6699 11.6745 11.6745 12.3086 12.3086 12.3200 12.3200 12.3909 12.3909 12.4121 12.4121 12.8221 12.8221 k = 0.3977 0.5000 0.3036 ( 2796 PWs) bands (ev): 0.7661 0.7661 0.7680 0.7680 6.1991 6.1991 6.2205 6.2205 7.2126 7.2126 7.2483 7.2483 8.1370 8.1370 8.1524 8.1524 9.5326 9.5326 9.5405 9.5405 10.1203 10.1203 10.1242 10.1242 10.3909 10.3909 10.3975 10.3975 11.3998 11.3998 11.4296 11.4296 11.5613 11.5613 11.5796 11.5796 11.6628 11.6628 11.6640 11.6640 12.3055 12.3055 12.3179 12.3179 12.3889 12.3889 12.4089 12.4089 12.7839 12.7839 k = 0.4091 0.5000 0.3036 ( 2796 PWs) bands (ev): 0.7789 0.7789 0.7805 0.7805 6.2205 6.2205 6.2409 6.2409 7.2121 7.2121 7.2462 7.2462 8.1213 8.1213 8.1361 8.1361 9.5219 9.5219 9.5289 9.5289 10.1178 10.1178 10.1209 10.1209 10.3882 10.3882 10.3941 10.3941 11.4082 11.4082 11.4380 11.4380 11.5522 11.5522 11.5739 11.5739 11.6551 11.6551 11.6568 11.6568 12.3023 12.3023 12.3155 12.3155 12.3870 12.3870 12.4053 12.4053 12.7503 12.7503 k = 0.4205 0.5000 0.3036 ( 2796 PWs) bands (ev): 0.7903 0.7903 0.7918 0.7918 6.2383 6.2383 6.2571 6.2571 7.2163 7.2163 7.2482 7.2482 8.1048 8.1048 8.1188 8.1188 9.5123 9.5123 9.5185 9.5185 10.1156 10.1156 10.1180 10.1180 10.3862 10.3862 10.3914 10.3914 11.4161 11.4161 11.4458 11.4458 11.5426 11.5426 11.5670 11.5670 11.6478 11.6478 11.6516 11.6516 12.2990 12.2990 12.3127 12.3127 12.3853 12.3853 12.4015 12.4015 12.7215 12.7215 k = 0.4318 0.5000 0.3036 ( 2792 PWs) bands (ev): 0.8005 0.8005 0.8018 0.8018 6.2527 6.2527 6.2696 6.2696 7.2243 7.2243 7.2532 7.2532 8.0881 8.0881 8.1011 8.1011 9.5040 9.5040 9.5093 9.5093 10.1134 10.1134 10.1153 10.1153 10.3848 10.3848 10.3892 10.3892 11.4239 11.4239 11.4532 11.4532 11.5331 11.5331 11.5593 11.5593 11.6421 11.6421 11.6472 11.6472 12.2961 12.2961 12.3096 12.3096 12.3839 12.3839 12.3978 12.3978 12.6972 12.6972 k = 0.4432 0.5000 0.3036 ( 2788 PWs) bands (ev): 0.8093 0.8093 0.8103 0.8103 6.2641 6.2641 6.2787 6.2787 7.2349 7.2349 7.2603 7.2603 8.0719 8.0719 8.0836 8.0836 9.4970 9.4970 9.5015 9.5015 10.1116 10.1116 10.1130 10.1130 10.3839 10.3839 10.3876 10.3876 11.4312 11.4312 11.4600 11.4600 11.5239 11.5239 11.5510 11.5510 11.6379 11.6379 11.6434 11.6434 12.2937 12.2937 12.3065 12.3065 12.3827 12.3827 12.3942 12.3942 12.6773 12.6773 k = 0.4545 0.5000 0.3036 ( 2784 PWs) bands (ev): 0.8165 0.8165 0.8174 0.8174 6.2730 6.2730 6.2849 6.2849 7.2469 7.2469 7.2681 7.2681 8.0572 8.0572 8.0672 8.0672 9.4913 9.4913 9.4949 9.4949 10.1101 10.1101 10.1111 10.1111 10.3833 10.3833 10.3862 10.3862 11.4384 11.4384 11.4659 11.4659 11.5157 11.5157 11.5424 11.5424 11.6349 11.6349 11.6401 11.6401 12.2919 12.2919 12.3033 12.3033 12.3818 12.3818 12.3909 12.3909 12.6618 12.6618 k = 0.4659 0.5000 0.3036 ( 2784 PWs) bands (ev): 0.8223 0.8223 0.8230 0.8230 6.2796 6.2796 6.2887 6.2887 7.2588 7.2588 7.2753 7.2753 8.0448 8.0448 8.0527 8.0527 9.4870 9.4870 9.4897 9.4897 10.1088 10.1088 10.1095 10.1095 10.3829 10.3829 10.3851 10.3851 11.4454 11.4454 11.4703 11.4703 11.5092 11.5092 11.5339 11.5339 11.6329 11.6329 11.6373 11.6373 12.2910 12.2910 12.3002 12.3002 12.3813 12.3813 12.3879 12.3879 12.6503 12.6503 k = 0.4773 0.5000 0.3036 ( 2776 PWs) bands (ev): 0.8265 0.8265 0.8269 0.8269 6.2845 6.2845 6.2907 6.2907 7.2693 7.2693 7.2806 7.2806 8.0356 8.0356 8.0411 8.0411 9.4840 9.4840 9.4858 9.4858 10.1081 10.1081 10.1085 10.1085 10.3829 10.3829 10.3843 10.3843 11.4523 11.4523 11.4720 11.4720 11.5060 11.5060 11.5257 11.5257 11.6319 11.6319 11.6350 11.6350 12.2910 12.2910 12.2975 12.2975 12.3811 12.3811 12.3855 12.3855 12.6428 12.6428 k = 0.4886 0.5000 0.3036 ( 2780 PWs) bands (ev): 0.8290 0.8290 0.8292 0.8292 6.2880 6.2880 6.2911 6.2911 7.2773 7.2773 7.2831 7.2831 8.0303 8.0303 8.0332 8.0332 9.4824 9.4824 9.4833 9.4833 10.1075 10.1075 10.1077 10.1077 10.3829 10.3829 10.3837 10.3837 11.4589 11.4589 11.4699 11.4699 11.5071 11.5071 11.5181 11.5181 11.6316 11.6316 11.6332 11.6332 12.2916 12.2916 12.2950 12.2950 12.3814 12.3814 12.3836 12.3836 12.6389 12.6389 k = 0.5000 0.5000 0.3036 ( 2784 PWs) bands (ev): 0.8300 0.8300 0.8300 0.8300 6.2901 6.2901 6.2901 6.2901 7.2821 7.2821 7.2821 7.2821 8.0295 8.0295 8.0295 8.0295 9.4822 9.4822 9.4822 9.4822 10.1073 10.1073 10.1073 10.1073 10.3832 10.3832 10.3832 10.3832 11.4651 11.4651 11.4651 11.4651 11.5116 11.5116 11.5116 11.5116 11.6320 11.6320 11.6320 11.6320 12.2930 12.2930 12.2930 12.2930 12.3822 12.3822 12.3822 12.3822 12.6387 12.6387 k = 0.5000 0.5000 0.3036 ( 2784 PWs) bands (ev): 0.8300 0.8300 0.8300 0.8300 6.2901 6.2901 6.2901 6.2901 7.2821 7.2821 7.2821 7.2821 8.0295 8.0295 8.0295 8.0295 9.4822 9.4822 9.4822 9.4822 10.1073 10.1073 10.1073 10.1073 10.3832 10.3832 10.3832 10.3832 11.4651 11.4651 11.4651 11.4651 11.5116 11.5116 11.5116 11.5116 11.6320 11.6320 11.6320 11.6320 12.2930 12.2930 12.2930 12.2930 12.3822 12.3822 12.3822 12.3822 12.6387 12.6387 k = 0.4919 0.4919 0.3036 ( 2780 PWs) bands (ev): 0.8290 0.8290 0.8292 0.8292 6.2871 6.2871 6.2920 6.2920 7.2764 7.2764 7.2839 7.2839 8.0303 8.0303 8.0332 8.0332 9.4823 9.4823 9.4834 9.4834 10.1068 10.1068 10.1084 10.1084 10.3826 10.3826 10.3840 10.3840 11.4588 11.4588 11.4701 11.4701 11.5069 11.5069 11.5182 11.5182 11.6315 11.6315 11.6334 11.6334 12.2915 12.2915 12.2951 12.2951 12.3814 12.3814 12.3836 12.3836 12.6383 12.6383 k = 0.4839 0.4839 0.3036 ( 2784 PWs) bands (ev): 0.8264 0.8264 0.8269 0.8269 6.2797 6.2797 6.2958 6.2958 7.2637 7.2637 7.2858 7.2858 8.0355 8.0355 8.0413 8.0413 9.4833 9.4833 9.4866 9.4866 10.1054 10.1054 10.1109 10.1109 10.3812 10.3812 10.3859 10.3859 11.4515 11.4515 11.4737 11.4737 11.5043 11.5043 11.5265 11.5265 11.6308 11.6308 11.6361 11.6361 12.2901 12.2901 12.2984 12.2984 12.3809 12.3809 12.3858 12.3858 12.6391 12.6391 k = 0.4758 0.4758 0.3036 ( 2780 PWs) bands (ev): 0.8220 0.8220 0.8230 0.8230 6.2678 6.2678 6.3021 6.3021 7.2437 7.2437 7.2884 7.2884 8.0447 8.0447 8.0533 8.0533 9.4849 9.4849 9.4918 9.4918 10.1032 10.1032 10.1154 10.1154 10.3789 10.3789 10.3890 10.3890 11.4437 11.4437 11.4756 11.4756 11.5038 11.5038 11.5361 11.5361 11.6298 11.6298 11.6405 11.6405 12.2884 12.2884 12.3030 12.3030 12.3804 12.3804 12.3888 12.3888 12.6406 12.6406 k = 0.4677 0.4677 0.3036 ( 2784 PWs) bands (ev): 0.8160 0.8160 0.8175 0.8175 6.2519 6.2519 6.3108 6.3108 7.2174 7.2174 7.2921 7.2921 8.0571 8.0571 8.0683 8.0683 9.4873 9.4873 9.4990 9.4990 10.1000 10.1000 10.1215 10.1215 10.3756 10.3756 10.3933 10.3933 11.4354 11.4354 11.4761 11.4761 11.5052 11.5052 11.5468 11.5468 11.6285 11.6285 11.6467 11.6467 12.2862 12.2862 12.3092 12.3092 12.3800 12.3800 12.3927 12.3927 12.6425 12.6425 k = 0.4597 0.4597 0.3036 ( 2784 PWs) bands (ev): 0.8082 0.8082 0.8103 0.8103 6.2325 6.2325 6.3221 6.3221 7.1858 7.1858 7.2969 7.2969 8.0720 8.0720 8.0854 8.0854 9.4905 9.4905 9.5080 9.5080 10.0961 10.0961 10.1295 10.1295 10.3714 10.3714 10.3986 10.3986 11.4269 11.4269 11.4756 11.4756 11.5079 11.5079 11.5583 11.5583 11.6269 11.6269 11.6546 11.6546 12.2837 12.2837 12.3169 12.3169 12.3794 12.3794 12.3974 12.3974 12.6449 12.6449 k = 0.4516 0.4516 0.3036 ( 2788 PWs) bands (ev): 0.7987 0.7987 0.8015 0.8015 6.2103 6.2103 6.3359 6.3359 7.1501 7.1501 7.3026 7.3026 8.0886 8.0886 8.1039 8.1039 9.4945 9.4945 9.5186 9.5186 10.0915 10.0915 10.1393 10.1393 10.3662 10.3662 10.4047 10.4047 11.4184 11.4184 11.4745 11.4745 11.5112 11.5112 11.5706 11.5706 11.6250 11.6250 11.6645 11.6645 12.2808 12.2808 12.3257 12.3257 12.3787 12.3787 12.4029 12.4029 12.6476 12.6476 k = 0.4435 0.4435 0.3036 ( 2788 PWs) bands (ev): 0.7874 0.7874 0.7911 0.7911 6.1860 6.1860 6.3521 6.3521 7.1115 7.1115 7.3094 7.3094 8.1059 8.1059 8.1229 8.1229 9.4993 9.4993 9.5310 9.5310 10.0865 10.0865 10.1508 10.1508 10.3602 10.3602 10.4116 10.4116 11.4100 11.4100 11.4731 11.4731 11.5147 11.5147 11.5836 11.5836 11.6230 11.6230 11.6762 11.6762 12.2774 12.2774 12.3353 12.3353 12.3782 12.3782 12.4093 12.4093 12.6506 12.6506 k = 0.4355 0.4355 0.3036 ( 2788 PWs) bands (ev): 0.7745 0.7745 0.7790 0.7790 6.1604 6.1604 6.3707 6.3707 7.0709 7.0709 7.3173 7.3173 8.1232 8.1232 8.1419 8.1419 9.5049 9.5049 9.5448 9.5448 10.0811 10.0811 10.1639 10.1639 10.3534 10.3534 10.4191 10.4191 11.4016 11.4016 11.4716 11.4716 11.5180 11.5180 11.5968 11.5968 11.6213 11.6213 11.6898 11.6898 12.2737 12.2737 12.3444 12.3444 12.3787 12.3787 12.4166 12.4166 12.6537 12.6537 k = 0.4274 0.4274 0.3036 ( 2792 PWs) bands (ev): 0.7598 0.7598 0.7652 0.7652 6.1342 6.1342 6.3918 6.3918 7.0292 7.0292 7.3262 7.3262 8.1397 8.1397 8.1603 8.1603 9.5115 9.5115 9.5599 9.5599 10.0756 10.0756 10.1787 10.1787 10.3457 10.3457 10.4271 10.4271 11.3935 11.3935 11.4700 11.4700 11.5211 11.5211 11.6084 11.6084 11.6217 11.6217 11.7054 11.7054 12.2697 12.2697 12.3505 12.3505 12.3822 12.3822 12.4252 12.4252 12.6568 12.6568 k = 0.4194 0.4194 0.3036 ( 2790 PWs) bands (ev): 0.7434 0.7434 0.7496 0.7496 6.1079 6.1079 6.4152 6.4152 6.9870 6.9870 7.3361 7.3361 8.1547 8.1547 8.1780 8.1780 9.5189 9.5189 9.5760 9.5760 10.0699 10.0699 10.1951 10.1951 10.3373 10.3373 10.4354 10.4354 11.3855 11.3855 11.4684 11.4684 11.5236 11.5236 11.6114 11.6114 11.6313 11.6313 11.7228 11.7228 12.2653 12.2653 12.3515 12.3515 12.3904 12.3904 12.4354 12.4354 12.6599 12.6599 k = 0.4113 0.4113 0.3036 ( 2794 PWs) bands (ev): 0.7252 0.7252 0.7324 0.7324 6.0824 6.0824 6.4410 6.4410 6.9450 6.9450 7.3470 7.3470 8.1674 8.1674 8.1947 8.1947 9.5271 9.5271 9.5932 9.5932 10.0645 10.0645 10.2130 10.2130 10.3281 10.3281 10.4440 10.4440 11.3778 11.3778 11.4667 11.4667 11.5256 11.5256 11.6094 11.6094 11.6463 11.6463 11.7421 11.7421 12.2606 12.2606 12.3484 12.3484 12.4012 12.4012 12.4478 12.4478 12.6631 12.6631 k = 0.4032 0.4032 0.3036 ( 2782 PWs) bands (ev): 0.7055 0.7055 0.7134 0.7134 6.0581 6.0581 6.4691 6.4691 6.9038 6.9038 7.3590 7.3590 8.1773 8.1773 8.2105 8.2105 9.5361 9.5361 9.6111 9.6111 10.0591 10.0591 10.2323 10.2323 10.3183 10.3183 10.4528 10.4528 11.3703 11.3703 11.4649 11.4649 11.5270 11.5270 11.6066 11.6066 11.6630 11.6630 11.7632 11.7632 12.2556 12.2556 12.3430 12.3430 12.4127 12.4127 12.4632 12.4632 12.6663 12.6663 k = 0.3952 0.3952 0.3036 ( 2790 PWs) bands (ev): 0.6840 0.6840 0.6926 0.6926 6.0354 6.0354 6.4994 6.4994 6.8637 6.8637 7.3719 7.3719 8.1838 8.1838 8.2255 8.2255 9.5455 9.5455 9.6297 9.6297 10.0541 10.0541 10.2524 10.2524 10.3083 10.3083 10.4616 10.4616 11.3629 11.3629 11.4632 11.4632 11.5277 11.5277 11.6032 11.6032 11.6802 11.6802 11.7859 11.7859 12.2502 12.2502 12.3356 12.3356 12.4235 12.4235 12.4816 12.4816 12.6693 12.6693 k = 0.3871 0.3871 0.3036 ( 2786 PWs) bands (ev): 0.6609 0.6609 0.6701 0.6701 6.0150 6.0150 6.5318 6.5318 6.8254 6.8254 7.3858 7.3858 8.1866 8.1866 8.2398 8.2398 9.5553 9.5553 9.6491 9.6491 10.0498 10.0498 10.2716 10.2716 10.2997 10.2997 10.4704 10.4704 11.3557 11.3557 11.4615 11.4615 11.5278 11.5278 11.5997 11.5997 11.6983 11.6983 11.8102 11.8102 12.2445 12.2445 12.3270 12.3270 12.4337 12.4337 12.5028 12.5028 12.6725 12.6725 k = 0.3790 0.3790 0.3036 ( 2786 PWs) bands (ev): 0.6363 0.6363 0.6459 0.6459 5.9970 5.9970 6.5660 6.5660 6.7891 6.7891 7.4007 7.4007 8.1857 8.1857 8.2536 8.2536 9.5653 9.5653 9.6686 9.6686 10.0459 10.0459 10.2772 10.2772 10.3057 10.3057 10.4793 10.4793 11.3486 11.3486 11.4599 11.4599 11.5273 11.5273 11.5959 11.5959 11.7168 11.7168 11.8359 11.8359 12.2385 12.2385 12.3172 12.3172 12.4433 12.4433 12.5266 12.5266 12.6759 12.6759 k = 0.3710 0.3710 0.3036 ( 2786 PWs) bands (ev): 0.6100 0.6100 0.6200 0.6200 5.9819 5.9819 6.6015 6.6015 6.7559 6.7559 7.4165 7.4165 8.1808 8.1808 8.2670 8.2670 9.5752 9.5752 9.6883 9.6883 10.0427 10.0427 10.2675 10.2675 10.3274 10.3274 10.4881 10.4881 11.3418 11.3418 11.4584 11.4584 11.5263 11.5263 11.5919 11.5919 11.7358 11.7358 11.8629 11.8629 12.2320 12.2320 12.3064 12.3064 12.4525 12.4525 12.5523 12.5523 12.6796 12.6796 k = 0.3629 0.3629 0.3036 ( 2790 PWs) bands (ev): 0.5823 0.5823 0.5923 0.5923 5.9699 5.9699 6.6359 6.6359 6.7281 6.7281 7.4332 7.4332 8.1722 8.1722 8.2801 8.2801 9.5848 9.5848 9.7083 9.7083 10.0400 10.0400 10.2552 10.2552 10.3525 10.3525 10.4970 10.4970 11.3350 11.3350 11.4569 11.4569 11.5246 11.5246 11.5876 11.5876 11.7552 11.7552 11.8911 11.8911 12.2252 12.2252 12.2948 12.2948 12.4614 12.4614 12.5797 12.5797 12.6838 12.6838 k = 0.3548 0.3548 0.3036 ( 2794 PWs) bands (ev): 0.5531 0.5531 0.5631 0.5631 5.9612 5.9612 6.6568 6.6568 6.7182 6.7182 7.4508 7.4508 8.1599 8.1599 8.2932 8.2932 9.5939 9.5939 9.7284 9.7284 10.0381 10.0381 10.2418 10.2418 10.3789 10.3789 10.5060 10.5060 11.3284 11.3284 11.4555 11.4555 11.5224 11.5224 11.5829 11.5829 11.7752 11.7752 11.9202 11.9202 12.2179 12.2179 12.2826 12.2826 12.4703 12.4703 12.6083 12.6083 12.6886 12.6886 k = 0.3468 0.3468 0.3036 ( 2794 PWs) bands (ev): 0.5225 0.5225 0.5323 0.5323 5.9559 5.9559 6.6464 6.6464 6.7441 6.7441 7.4692 7.4692 8.1443 8.1443 8.3063 8.3063 9.6023 9.6023 9.7484 9.7484 10.0367 10.0367 10.2280 10.2280 10.4063 10.4063 10.5153 10.5153 11.3218 11.3218 11.4543 11.4543 11.5198 11.5198 11.5779 11.5779 11.7956 11.7956 11.9500 11.9500 12.2101 12.2101 12.2701 12.2701 12.4791 12.4791 12.6373 12.6373 12.6951 12.6951 k = 0.3387 0.3387 0.3036 ( 2800 PWs) bands (ev): 0.4907 0.4907 0.4999 0.4999 5.9542 5.9542 6.6252 6.6252 6.7854 6.7854 7.4885 7.4885 8.1256 8.1256 8.3197 8.3197 9.6097 9.6097 9.7685 9.7685 10.0358 10.0358 10.2136 10.2136 10.4345 10.4345 10.5248 10.5248 11.3153 11.3153 11.4532 11.4532 11.5167 11.5167 11.5726 11.5726 11.8164 11.8164 11.9802 11.9802 12.2017 12.2017 12.2577 12.2577 12.4878 12.4878 12.6644 12.6644 12.7052 12.7052 k = 0.3306 0.3306 0.3036 ( 2802 PWs) bands (ev): 0.4575 0.4575 0.4662 0.4662 5.9561 5.9561 6.6037 6.6037 6.8316 6.8316 7.5086 7.5086 8.1041 8.1041 8.3335 8.3335 9.6163 9.6163 9.7884 9.7884 10.0354 10.0354 10.1990 10.1990 10.4632 10.4632 10.5347 10.5347 11.3088 11.3088 11.4521 11.4521 11.5130 11.5130 11.5668 11.5668 11.8376 11.8376 12.0107 12.0107 12.1926 12.1926 12.2457 12.2457 12.4966 12.4966 12.6842 12.6842 12.7245 12.7245 k = 0.3226 0.3226 0.3036 ( 2798 PWs) bands (ev): 0.4233 0.4233 0.4311 0.4311 5.9617 5.9617 6.5838 6.5838 6.8807 6.8807 7.5294 7.5294 8.0801 8.0801 8.3478 8.3478 9.6218 9.6218 9.8082 9.8082 10.0354 10.0354 10.1843 10.1843 10.4921 10.4921 10.5451 10.5451 11.3022 11.3022 11.4513 11.4513 11.5091 11.5091 11.5605 11.5605 11.8592 11.8592 12.0413 12.0413 12.1830 12.1830 12.2345 12.2345 12.5053 12.5053 12.6958 12.6958 12.7538 12.7538 k = 0.3145 0.3145 0.3036 ( 2798 PWs) bands (ev): 0.3880 0.3880 0.3947 0.3947 5.9709 5.9709 6.5661 6.5661 6.9320 6.9320 7.5510 7.5510 8.0540 8.0540 8.3628 8.3628 9.6263 9.6263 9.8278 9.8278 10.0357 10.0357 10.1693 10.1693 10.5207 10.5207 10.5563 10.5563 11.2956 11.2956 11.4506 11.4506 11.5047 11.5047 11.5537 11.5537 11.8810 11.8810 12.0712 12.0712 12.1729 12.1729 12.2243 12.2243 12.5141 12.5142 12.7044 12.7044 12.7879 12.7879 k = 0.3065 0.3065 0.3036 ( 2802 PWs) bands (ev): 0.3516 0.3516 0.3573 0.3573 5.9836 5.9836 6.5506 6.5506 6.9855 6.9855 7.5732 7.5732 8.0263 8.0263 8.3787 8.3787 9.6297 9.6297 9.8471 9.8471 10.0361 10.0361 10.1543 10.1543 10.5479 10.5479 10.5694 10.5694 11.2888 11.2888 11.4500 11.4500 11.5000 11.5000 11.5463 11.5463 11.9031 11.9031 12.0990 12.0990 12.1636 12.1636 12.2154 12.2154 12.5230 12.5230 12.7123 12.7123 12.8243 12.8243 k = 0.2984 0.2984 0.3036 ( 2802 PWs) bands (ev): 0.3144 0.3144 0.3189 0.3189 5.9998 5.9998 6.5374 6.5374 7.0409 7.0409 7.5960 7.5960 7.9972 7.9972 8.3956 8.3956 9.6319 9.6319 9.8662 9.8662 10.0368 10.0368 10.1393 10.1393 10.5700 10.5700 10.5878 10.5878 11.2819 11.2819 11.4495 11.4495 11.4949 11.4949 11.5384 11.5384 11.9256 11.9256 12.1195 12.1195 12.1603 12.1603 12.2081 12.2081 12.5319 12.5319 12.7203 12.7203 12.8621 12.8621 k = 0.2903 0.2903 0.3036 ( 2798 PWs) bands (ev): 0.2763 0.2763 0.2798 0.2798 6.0192 6.0192 6.5263 6.5263 7.0981 7.0981 7.6193 7.6193 7.9671 7.9671 8.4136 8.4136 9.6332 9.6332 9.8851 9.8851 10.0376 10.0376 10.1244 10.1244 10.5856 10.5856 10.6129 10.6129 11.2748 11.2748 11.4491 11.4491 11.4893 11.4893 11.5300 11.5300 11.9482 11.9482 12.1214 12.1214 12.1733 12.1733 12.2032 12.2032 12.5408 12.5408 12.7289 12.7289 12.9011 12.9011 k = 0.2823 0.2823 0.3036 ( 2794 PWs) bands (ev): 0.2372 0.2372 0.2403 0.2403 6.0417 6.0417 6.5174 6.5174 7.1571 7.1571 7.6431 7.6431 7.9366 7.9366 8.4330 8.4330 9.6334 9.6334 9.9037 9.9037 10.0384 10.0384 10.1097 10.1097 10.5995 10.5995 10.6393 10.6393 11.2675 11.2675 11.4486 11.4486 11.4834 11.4834 11.5210 11.5210 11.9711 11.9711 12.1122 12.1122 12.1880 12.1880 12.2078 12.2078 12.5498 12.5498 12.7380 12.7380 12.9412 12.9412 k = 0.2742 0.2742 0.3036 ( 2804 PWs) bands (ev): 0.1970 0.1970 0.2008 0.2008 6.0671 6.0671 6.5105 6.5105 7.2177 7.2177 7.6672 7.6672 7.9060 7.9060 8.4536 8.4536 9.6327 9.6327 9.9220 9.9220 10.0393 10.0393 10.0953 10.0953 10.6135 10.6135 10.6652 10.6652 11.2599 11.2599 11.4479 11.4479 11.4769 11.4769 11.5116 11.5116 11.9939 11.9939 12.1003 12.1003 12.1885 12.1885 12.2290 12.2290 12.5590 12.5590 12.7478 12.7478 12.9819 12.9819 k = 0.2661 0.2661 0.3036 ( 2802 PWs) bands (ev): 0.1560 0.1560 0.1612 0.1612 6.0951 6.0951 6.5055 6.5055 7.2799 7.2799 7.6914 7.6914 7.8761 7.8761 8.4758 8.4758 9.6311 9.6311 9.9401 9.9401 10.0403 10.0403 10.0812 10.0812 10.6280 10.6280 10.6899 10.6899 11.2520 11.2520 11.4469 11.4469 11.4698 11.4698 11.5022 11.5022 12.0170 12.0170 12.0879 12.0879 12.1871 12.1871 12.2530 12.2530 12.5683 12.5683 12.7585 12.7585 13.0235 13.0235 k = 0.2581 0.2581 0.3036 ( 2794 PWs) bands (ev): 0.1145 0.1145 0.1215 0.1215 6.1253 6.1253 6.5023 6.5023 7.3437 7.3437 7.7154 7.7154 7.8475 7.8475 8.4996 8.4996 9.6287 9.6287 9.9580 9.9580 10.0415 10.0415 10.0676 10.0676 10.6431 10.6431 10.7131 10.7131 11.2438 11.2438 11.4452 11.4452 11.4619 11.4619 11.4930 11.4930 12.0398 12.0398 12.0756 12.0756 12.1867 12.1867 12.2759 12.2759 12.5777 12.5777 12.7700 12.7700 13.0656 13.0656 k = 0.2500 0.2500 0.3036 ( 2792 PWs) bands (ev): 0.0726 0.0726 0.0817 0.0817 6.1573 6.1573 6.5006 6.5006 7.4089 7.4089 7.7377 7.7377 7.8220 7.8220 8.5250 8.5250 9.6255 9.6255 9.9757 9.9757 10.0429 10.0429 10.0545 10.0545 10.6588 10.6588 10.7343 10.7343 11.2351 11.2351 11.4420 11.4420 11.4535 11.4535 11.4846 11.4846 12.0580 12.0580 12.0680 12.0680 12.1880 12.1880 12.2967 12.2967 12.5875 12.5875 12.7824 12.7824 13.1083 13.1083 k = 0.2419 0.2419 0.3036 ( 2792 PWs) bands (ev): 0.0307 0.0307 0.0420 0.0420 6.1908 6.1908 6.5004 6.5004 7.4753 7.4753 7.7529 7.7529 7.8055 7.8055 8.5522 8.5522 9.6216 9.6216 9.9932 9.9932 10.0416 10.0416 10.0449 10.0449 10.6751 10.6751 10.7532 10.7532 11.2260 11.2260 11.4354 11.4354 11.4459 11.4459 11.4773 11.4773 12.0492 12.0492 12.0874 12.0874 12.1911 12.1911 12.3148 12.3148 12.5975 12.5975 12.7957 12.7957 13.1513 13.1513 k = 0.2339 0.2339 0.3036 ( 2796 PWs) bands (ev): -0.0112 -0.0112 0.0023 0.0023 6.2251 6.2251 6.5015 6.5015 7.5427 7.5427 7.7485 7.7485 7.8112 7.8112 8.5810 8.5810 9.6169 9.6169 10.0103 10.0103 10.0301 10.0301 10.0469 10.0469 10.6920 10.6920 10.7696 10.7696 11.2164 11.2164 11.4245 11.4245 11.4402 11.4402 11.4712 11.4712 12.0371 12.0371 12.1100 12.1100 12.1965 12.1965 12.3296 12.3296 12.6079 12.6079 12.8101 12.8101 13.1945 13.1945 k = 0.2258 0.2258 0.3036 ( 2798 PWs) bands (ev): -0.0530 -0.0530 -0.0371 -0.0371 6.2599 6.2599 6.5037 6.5037 7.6103 7.6103 7.7332 7.7332 7.8315 7.8315 8.6117 8.6117 9.6115 9.6115 10.0181 10.0181 10.0280 10.0280 10.0499 10.0499 10.7095 10.7095 10.7833 10.7833 11.2064 11.2064 11.4110 11.4110 11.4347 11.4347 11.4658 11.4658 12.0250 12.0250 12.1328 12.1328 12.2042 12.2042 12.3404 12.3404 12.6187 12.6187 12.8255 12.8255 13.2380 13.2380 k = 0.2177 0.2177 0.3036 ( 2798 PWs) bands (ev): -0.0944 -0.0944 -0.0762 -0.0762 6.2945 6.2945 6.5069 6.5069 7.6719 7.6719 7.7246 7.7246 7.8555 7.8555 8.6443 8.6443 9.6056 9.6056 10.0082 10.0082 10.0431 10.0431 10.0547 10.0547 10.7273 10.7273 10.7940 10.7940 11.1958 11.1958 11.3961 11.3961 11.4288 11.4288 11.4607 11.4607 12.0129 12.0129 12.1553 12.1553 12.2143 12.2143 12.3466 12.3466 12.6300 12.6300 12.8420 12.8420 13.2815 13.2815 k = 0.2097 0.2097 0.3036 ( 2802 PWs) bands (ev): -0.1354 -0.1354 -0.1149 -0.1149 6.3282 6.3282 6.5109 6.5109 7.6881 7.6881 7.7651 7.7651 7.8805 7.8805 8.6787 8.6787 9.5991 9.5991 9.9989 9.9989 10.0529 10.0529 10.0659 10.0659 10.7455 10.7455 10.8016 10.8016 11.1847 11.1847 11.3802 11.3802 11.4225 11.4225 11.4555 11.4555 12.0007 12.0007 12.1776 12.1776 12.2266 12.2266 12.3477 12.3477 12.6421 12.6421 12.8596 12.8596 13.3247 13.3247 k = 0.2016 0.2016 0.3036 ( 2802 PWs) bands (ev): -0.1759 -0.1759 -0.1530 -0.1530 6.3605 6.3605 6.5155 6.5155 7.6807 7.6807 7.8339 7.8339 7.9059 7.9059 8.7149 8.7149 9.5922 9.5922 9.9905 9.9905 10.0589 10.0589 10.0819 10.0819 10.7641 10.7641 10.8059 10.8059 11.1731 11.1731 11.3637 11.3637 11.4158 11.4158 11.4498 11.4498 11.9885 11.9885 12.1997 12.1997 12.2412 12.2412 12.3431 12.3431 12.6550 12.6550 12.8784 12.8784 13.3671 13.3671 k = 0.1935 0.1935 0.3036 ( 2806 PWs) bands (ev): -0.2156 -0.2156 -0.1904 -0.1904 6.3906 6.3906 6.5208 6.5208 7.6750 7.6750 7.9065 7.9065 7.9313 7.9313 8.7529 8.7529 9.5848 9.5848 9.9831 9.9831 10.0650 10.0650 10.0988 10.0988 10.7828 10.7828 10.8068 10.8068 11.1608 11.1608 11.3465 11.3465 11.4088 11.4088 11.4435 11.4435 11.9761 11.9761 12.2214 12.2214 12.2575 12.2575 12.3323 12.3323 12.6689 12.6689 12.8984 12.8984 13.3958 13.3958 k = 0.1855 0.1855 0.3036 ( 2808 PWs) bands (ev): -0.2546 -0.2546 -0.2271 -0.2271 6.4179 6.4179 6.5265 6.5265 7.6737 7.6737 7.9559 7.9559 7.9815 7.9815 8.7926 8.7926 9.5770 9.5770 9.9769 9.9769 10.0721 10.0721 10.1159 10.1159 10.8002 10.8002 10.8058 10.8058 11.1480 11.1480 11.3286 11.3286 11.4017 11.4017 11.4365 11.4365 11.9634 11.9634 12.2427 12.2427 12.2751 12.2751 12.3155 12.3155 12.6840 12.6840 12.9196 12.9196 13.3725 13.3725 k = 0.1774 0.1774 0.3036 ( 2808 PWs) bands (ev): -0.2927 -0.2927 -0.2629 -0.2629 6.4420 6.4420 6.5324 6.5324 7.6777 7.6777 7.9808 7.9808 8.0568 8.0568 8.8340 8.8340 9.5689 9.5689 9.9718 9.9718 10.0804 10.0804 10.1331 10.1331 10.7973 10.7973 10.8213 10.8213 11.1347 11.1347 11.3106 11.3106 11.3944 11.3944 11.4289 11.4289 11.9504 11.9504 12.2619 12.2619 12.2885 12.2885 12.2993 12.2993 12.7006 12.7006 12.9421 12.9421 13.3495 13.3495 k = 0.1694 0.1694 0.3036 ( 2800 PWs) bands (ev): -0.3297 -0.3297 -0.2978 -0.2978 6.4623 6.4623 6.5386 6.5386 7.6872 7.6872 8.0051 8.0051 8.1333 8.1333 8.8770 8.8770 9.5606 9.5606 9.9679 9.9679 10.0901 10.0901 10.1503 10.1503 10.7875 10.7875 10.8401 10.8401 11.1208 11.1208 11.2923 11.2923 11.3870 11.3870 11.4207 11.4207 11.9370 11.9370 12.2548 12.2548 12.2907 12.2907 12.3149 12.3149 12.7189 12.7189 12.9660 12.9660 13.3325 13.3325 k = 0.1613 0.1613 0.3036 ( 2800 PWs) bands (ev): -0.3657 -0.3657 -0.3316 -0.3316 6.4786 6.4786 6.5448 6.5448 7.7024 7.7024 8.0288 8.0288 8.2105 8.2105 8.9214 8.9214 9.5520 9.5520 9.9653 9.9653 10.1013 10.1013 10.1675 10.1675 10.7738 10.7738 10.8587 10.8587 11.1063 11.1063 11.2739 11.2739 11.3795 11.3795 11.4120 11.4120 11.9232 11.9232 12.2207 12.2207 12.3100 12.3100 12.3342 12.3342 12.7390 12.7390 12.9912 12.9912 13.3216 13.3216 k = 0.1532 0.1532 0.3036 ( 2800 PWs) bands (ev): -0.4004 -0.4004 -0.3644 -0.3644 6.4909 6.4909 6.5511 6.5511 7.7232 7.7232 8.0519 8.0519 8.2884 8.2884 8.9672 8.9672 9.5434 9.5434 9.9638 9.9638 10.1142 10.1142 10.1845 10.1845 10.7562 10.7562 10.8770 10.8770 11.0914 11.0914 11.2554 11.2554 11.3719 11.3719 11.4030 11.4030 11.9088 11.9088 12.1801 12.1801 12.3303 12.3303 12.3535 12.3535 12.7612 12.7612 13.0178 13.0178 13.3165 13.3165 k = 0.1452 0.1452 0.3036 ( 2808 PWs) bands (ev): -0.4339 -0.4339 -0.3959 -0.3959 6.4993 6.4993 6.5572 6.5572 7.7489 7.7489 8.0741 8.0741 8.3669 8.3669 9.0140 9.0140 9.5346 9.5346 9.9636 9.9636 10.1289 10.1289 10.2013 10.2013 10.7348 10.7348 10.8948 10.8948 11.0759 11.0759 11.2368 11.2368 11.3643 11.3643 11.3940 11.3940 11.8938 11.8938 12.1350 12.1350 12.3502 12.3502 12.3721 12.3721 12.7856 12.7856 13.0458 13.0458 13.3165 13.3165 k = 0.1371 0.1371 0.3036 ( 2810 PWs) bands (ev): -0.4660 -0.4660 -0.4261 -0.4261 6.5040 6.5040 6.5634 6.5634 7.7792 7.7792 8.0955 8.0955 8.4459 8.4459 9.0619 9.0619 9.5259 9.5259 9.9647 9.9647 10.1455 10.1455 10.2178 10.2178 10.7097 10.7097 10.9119 10.9119 11.0602 11.0602 11.2183 11.2183 11.3565 11.3565 11.3851 11.3851 11.8780 11.8780 12.0869 12.0869 12.3695 12.3695 12.3899 12.3899 12.8121 12.8121 13.0753 13.0753 13.3210 13.3210 k = 0.1290 0.1290 0.3036 ( 2814 PWs) bands (ev): -0.4967 -0.4967 -0.4550 -0.4550 6.5055 6.5055 6.5693 6.5693 7.8133 7.8133 8.1161 8.1161 8.5253 8.5253 9.1105 9.1105 9.5171 9.5171 9.9670 9.9670 10.1642 10.1642 10.2339 10.2339 10.6807 10.6807 10.9280 10.9280 11.0443 11.0443 11.1997 11.1997 11.3488 11.3488 11.3764 11.3764 11.8616 11.8616 12.0366 12.0366 12.3880 12.3880 12.4066 12.4066 12.8408 12.8408 13.1064 13.1064 13.3294 13.3294 k = 0.1210 0.1210 0.3036 ( 2816 PWs) bands (ev): -0.5258 -0.5258 -0.4824 -0.4824 6.5042 6.5042 6.5751 6.5751 7.8503 7.8503 8.1357 8.1357 8.6050 8.6050 9.1597 9.1597 9.5086 9.5086 9.9704 9.9704 10.1850 10.1850 10.2494 10.2494 10.6481 10.6481 10.9428 10.9428 11.0285 11.0285 11.1814 11.1814 11.3410 11.3410 11.3682 11.3682 11.8443 11.8443 11.9852 11.9852 12.4057 12.4057 12.4221 12.4221 12.8715 12.8715 13.1390 13.1390 13.3409 13.3409 k = 0.1129 0.1129 0.3036 ( 2822 PWs) bands (ev): -0.5534 -0.5534 -0.5084 -0.5084 6.5007 6.5007 6.5806 6.5806 7.8893 7.8893 8.1543 8.1543 8.6850 8.6850 9.2092 9.2092 9.5002 9.5002 9.9750 9.9750 10.2079 10.2079 10.2641 10.2641 10.6119 10.6119 10.9553 10.9553 11.0134 11.0134 11.1633 11.1633 11.3331 11.3331 11.3605 11.3605 11.8260 11.8260 11.9337 11.9337 12.4223 12.4223 12.4362 12.4362 12.9039 12.9039 13.1733 13.1733 13.3550 13.3550 k = 0.1048 0.1048 0.3036 ( 2822 PWs) bands (ev): -0.5793 -0.5793 -0.5328 -0.5328 6.4954 6.4954 6.5857 6.5857 7.9295 7.9295 8.1718 8.1718 8.7650 8.7650 9.2589 9.2589 9.4922 9.4922 9.9805 9.9805 10.2330 10.2330 10.2779 10.2779 10.5722 10.5722 10.9634 10.9634 11.0014 11.0014 11.1457 11.1457 11.3254 11.3254 11.3536 11.3536 11.8064 11.8064 11.8835 11.8835 12.4379 12.4379 12.4490 12.4490 12.9376 12.9376 13.2094 13.2094 13.3712 13.3712 k = 0.0968 0.0968 0.3036 ( 2822 PWs) bands (ev): -0.6036 -0.6036 -0.5556 -0.5556 6.4888 6.4888 6.5906 6.5906 7.9700 7.9700 8.1884 8.1884 8.8450 8.8450 9.3082 9.3082 9.4845 9.4845 9.9869 9.9869 10.2603 10.2603 10.2906 10.2906 10.5292 10.5292 10.9614 10.9614 10.9973 10.9973 11.1288 11.1288 11.3177 11.3177 11.3472 11.3472 11.7842 11.7842 11.8364 11.8364 12.4522 12.4522 12.4607 12.4607 12.9725 12.9725 13.2472 13.2472 13.3888 13.3888 k = 0.0887 0.0887 0.3036 ( 2830 PWs) bands (ev): -0.6261 -0.6261 -0.5768 -0.5768 6.4814 6.4814 6.5950 6.5950 8.0099 8.0099 8.2039 8.2039 8.9248 8.9248 9.3568 9.3568 9.4772 9.4772 9.9939 9.9939 10.2898 10.2898 10.3019 10.3019 10.4830 10.4830 10.9499 10.9499 11.0001 11.0001 11.1133 11.1133 11.3103 11.3103 11.3416 11.3416 11.7558 11.7558 11.7970 11.7970 12.4646 12.4646 12.4718 12.4718 13.0078 13.0078 13.2868 13.2868 13.4074 13.4074 k = 0.0806 0.0806 0.3036 ( 2834 PWs) bands (ev): -0.6467 -0.6467 -0.5963 -0.5963 6.4735 6.4735 6.5990 6.5990 8.0484 8.0484 8.2184 8.2184 9.0044 9.0044 9.4043 9.4043 9.4707 9.4707 10.0015 10.0015 10.3116 10.3116 10.3213 10.3213 10.4340 10.4340 10.9351 10.9351 11.0024 11.0024 11.0998 11.0998 11.3034 11.3034 11.3367 11.3367 11.7186 11.7186 11.7682 11.7682 12.4748 12.4748 12.4830 12.4830 13.0434 13.0434 13.3283 13.3283 13.4266 13.4266 k = 0.0726 0.0726 0.3036 ( 2830 PWs) bands (ev): -0.6656 -0.6656 -0.6140 -0.6140 6.4655 6.4655 6.6028 6.6028 8.0848 8.0848 8.2320 8.2320 9.0836 9.0836 9.4481 9.4481 9.4670 9.4670 10.0096 10.0096 10.3191 10.3191 10.3544 10.3544 10.3830 10.3830 10.9197 10.9197 11.0004 11.0004 11.0898 11.0898 11.2971 11.2971 11.3327 11.3327 11.6780 11.6780 11.7459 11.7459 12.4830 12.4830 12.4939 12.4939 13.0788 13.0788 13.3716 13.3716 13.4459 13.4459 k = 0.0645 0.0645 0.3036 ( 2826 PWs) bands (ev): -0.6825 -0.6825 -0.6300 -0.6300 6.4576 6.4576 6.6061 6.6061 8.1184 8.1184 8.2447 8.2447 9.1622 9.1622 9.4563 9.4563 9.4977 9.4977 10.0178 10.0178 10.3166 10.3166 10.3371 10.3371 10.3898 10.3898 10.9044 10.9044 10.9928 10.9928 11.0838 11.0838 11.2915 11.2915 11.3295 11.3295 11.6382 11.6382 11.7261 11.7261 12.4898 12.4898 12.5042 12.5042 13.1134 13.1134 13.4162 13.4162 13.4651 13.4651 k = 0.0565 0.0565 0.3036 ( 2822 PWs) bands (ev): -0.6976 -0.6976 -0.6442 -0.6442 6.4502 6.4502 6.6092 6.6092 8.1484 8.1484 8.2566 8.2566 9.2398 9.2398 9.4518 9.4518 9.5394 9.5394 10.0259 10.0259 10.2678 10.2678 10.3342 10.3342 10.4258 10.4258 10.8895 10.8895 10.9798 10.9798 11.0812 11.0812 11.2869 11.2869 11.3273 11.3273 11.6012 11.6012 11.7079 11.7079 12.4955 12.4955 12.5134 12.5134 13.1469 13.1469 13.4593 13.4593 13.4864 13.4864 k = 0.0484 0.0484 0.3036 ( 2822 PWs) bands (ev): -0.7106 -0.7106 -0.6565 -0.6565 6.4434 6.4434 6.6117 6.6117 8.1744 8.1744 8.2678 8.2678 9.3162 9.3162 9.4475 9.4475 9.5787 9.5787 10.0336 10.0336 10.2096 10.2096 10.3366 10.3366 10.4625 10.4625 10.8751 10.8751 10.9632 10.9632 11.0803 11.0803 11.2833 11.2833 11.3261 11.3261 11.5675 11.5675 11.6912 11.6912 12.5000 12.5000 12.5215 12.5215 13.1785 13.1785 13.4871 13.4871 13.5228 13.5228 k = 0.0403 0.0403 0.3036 ( 2822 PWs) bands (ev): -0.7218 -0.7218 -0.6670 -0.6670 6.4373 6.4373 6.6139 6.6139 8.1959 8.1959 8.2784 8.2784 9.3906 9.3906 9.4438 9.4438 9.6147 9.6147 10.0407 10.0407 10.1492 10.1492 10.3381 10.3381 10.4991 10.4991 10.8614 10.8614 10.9446 10.9446 11.0800 11.0800 11.2806 11.2806 11.3259 11.3259 11.5378 11.5378 11.6763 11.6763 12.5039 12.5039 12.5285 12.5285 13.2079 13.2079 13.5012 13.5012 13.5716 13.5716 k = 0.0323 0.0323 0.3036 ( 2822 PWs) bands (ev): -0.7309 -0.7309 -0.6756 -0.6756 6.4322 6.4322 6.6156 6.6156 8.2128 8.2128 8.2882 8.2882 9.4393 9.4393 9.4636 9.4636 9.6473 9.6473 10.0467 10.0467 10.0876 10.0876 10.3385 10.3385 10.5346 10.5346 10.8481 10.8481 10.9257 10.9257 11.0797 11.0797 11.2788 11.2788 11.3267 11.3267 11.5123 11.5123 11.6634 11.6634 12.5070 12.5070 12.5342 12.5342 13.2342 13.2342 13.5097 13.5097 13.6234 13.6234 k = 0.0242 0.0242 0.3036 ( 2818 PWs) bands (ev): -0.7380 -0.7380 -0.6824 -0.6824 6.4281 6.4281 6.6171 6.6171 8.2252 8.2252 8.2968 8.2968 9.4374 9.4374 9.5297 9.5297 9.6770 9.6770 10.0248 10.0248 10.0528 10.0528 10.3382 10.3382 10.5676 10.5676 10.8350 10.8350 10.9085 10.9085 11.0792 11.0792 11.2778 11.2778 11.3283 11.3283 11.4915 11.4915 11.6530 11.6530 12.5093 12.5093 12.5387 12.5387 13.2566 13.2566 13.5142 13.5142 13.6291 13.6291 k = 0.0161 0.0161 0.3036 ( 2826 PWs) bands (ev): -0.7431 -0.7431 -0.6872 -0.6872 6.4251 6.4251 6.6180 6.6180 8.2336 8.2336 8.3035 8.3035 9.4355 9.4355 9.5864 9.5864 9.7057 9.7057 9.9647 9.9647 10.0563 10.0563 10.3375 10.3375 10.5959 10.5959 10.8225 10.8225 10.8947 10.8947 11.0785 11.0785 11.2771 11.2771 11.3302 11.3302 11.4758 11.4758 11.6452 11.6452 12.5109 12.5109 12.5417 12.5417 13.2739 13.2739 13.5155 13.5155 13.6272 13.6272 k = 0.0081 0.0081 0.3036 ( 2832 PWs) bands (ev): -0.7462 -0.7462 -0.6901 -0.6901 6.4233 6.4233 6.6186 6.6186 8.2383 8.2383 8.3079 8.3079 9.4343 9.4343 9.6243 9.6243 9.7361 9.7361 9.9116 9.9116 10.0586 10.0586 10.3369 10.3369 10.6158 10.6158 10.8124 10.8124 10.8860 10.8860 11.0780 11.0780 11.2768 11.2768 11.3317 11.3317 11.4659 11.4659 11.6404 11.6404 12.5119 12.5119 12.5435 12.5435 13.2849 13.2849 13.5153 13.5153 13.6265 13.6265 k = 0.0000 0.0000 0.3036 ( 2824 PWs) bands (ev): -0.7472 -0.7472 -0.6910 -0.6910 6.4227 6.4227 6.6188 6.6188 8.2399 8.2399 8.3093 8.3093 9.4340 9.4340 9.6372 9.6372 9.7542 9.7542 9.8859 9.8859 10.0594 10.0594 10.3366 10.3366 10.6233 10.6233 10.8083 10.8083 10.8830 10.8830 11.0778 11.0778 11.2770 11.2770 11.3326 11.3326 11.4626 11.4626 11.6390 11.6390 12.5122 12.5122 12.5442 12.5442 13.2887 13.2887 13.5151 13.5151 13.6264 13.6264 k = 0.0000 0.5000-0.0000 ( 2774 PWs) bands (ev): 0.2111 0.2111 0.2111 0.2111 5.8025 5.8025 5.8025 5.8025 7.5012 7.5012 7.5012 7.5012 8.4222 8.4222 8.4222 8.4222 9.6753 9.6753 9.6753 9.6753 10.2461 10.2461 10.2461 10.2461 10.6828 10.6828 10.6828 10.6828 11.3315 11.3315 11.3315 11.3315 11.4592 11.4592 11.4592 11.4592 11.6795 11.6795 11.6795 11.6795 12.0858 12.0858 12.0858 12.0858 12.6929 12.6929 12.6929 12.6929 13.3727 13.3727 k = 0.0000 0.5000 0.0112 ( 2778 PWs) bands (ev): 0.2114 0.2114 0.2114 0.2114 5.7994 5.7994 5.7994 5.7994 7.5039 7.5039 7.5039 7.5039 8.4223 8.4223 8.4223 8.4223 9.6757 9.6757 9.6757 9.6757 10.2460 10.2460 10.2460 10.2460 10.6837 10.6837 10.6837 10.6837 11.3313 11.3313 11.3313 11.3313 11.4583 11.4583 11.4583 11.4583 11.6799 11.6799 11.6799 11.6799 12.0868 12.0868 12.0868 12.0868 12.6911 12.6911 12.6911 12.6911 13.3756 13.3756 k = 0.0000 0.5000 0.0225 ( 2786 PWs) bands (ev): 0.2121 0.2121 0.2121 0.2121 5.7904 5.7904 5.7904 5.7904 7.5120 7.5120 7.5120 7.5120 8.4227 8.4227 8.4227 8.4227 9.6771 9.6771 9.6771 9.6771 10.2455 10.2455 10.2455 10.2455 10.6863 10.6863 10.6863 10.6863 11.3305 11.3305 11.3305 11.3305 11.4554 11.4554 11.4554 11.4554 11.6811 11.6811 11.6811 11.6811 12.0897 12.0897 12.0897 12.0897 12.6858 12.6858 12.6858 12.6858 13.3840 13.3840 k = 0.0000 0.5000 0.0337 ( 2786 PWs) bands (ev): 0.2133 0.2133 0.2133 0.2133 5.7757 5.7757 5.7757 5.7757 7.5250 7.5250 7.5250 7.5250 8.4233 8.4233 8.4233 8.4233 9.6795 9.6795 9.6795 9.6795 10.2448 10.2448 10.2448 10.2448 10.6906 10.6906 10.6906 10.6906 11.3293 11.3293 11.3293 11.3293 11.4508 11.4508 11.4508 11.4508 11.6833 11.6833 11.6833 11.6833 12.0946 12.0946 12.0946 12.0946 12.6774 12.6774 12.6774 12.6774 13.3981 13.3981 k = 0.0000 0.5000 0.0450 ( 2788 PWs) bands (ev): 0.2149 0.2149 0.2149 0.2149 5.7559 5.7559 5.7559 5.7559 7.5426 7.5426 7.5426 7.5426 8.4241 8.4241 8.4241 8.4241 9.6827 9.6827 9.6827 9.6827 10.2439 10.2439 10.2439 10.2439 10.6967 10.6967 10.6967 10.6967 11.3276 11.3276 11.3276 11.3276 11.4446 11.4446 11.4446 11.4446 11.6861 11.6861 11.6861 11.6861 12.1012 12.1012 12.1012 12.1012 12.6660 12.6660 12.6660 12.6660 13.4174 13.4174 k = 0.0000 0.5000 0.0562 ( 2772 PWs) bands (ev): 0.2170 0.2170 0.2170 0.2170 5.7314 5.7314 5.7314 5.7314 7.5641 7.5641 7.5641 7.5641 8.4253 8.4253 8.4253 8.4253 9.6868 9.6868 9.6868 9.6868 10.2427 10.2427 10.2427 10.2427 10.7045 10.7045 10.7045 10.7045 11.3254 11.3254 11.3254 11.3254 11.4371 11.4371 11.4371 11.4371 11.6900 11.6900 11.6900 11.6900 12.1095 12.1095 12.1095 12.1095 12.6519 12.6519 12.6519 12.6519 13.4418 13.4418 k = 0.0000 0.5000 0.0675 ( 2764 PWs) bands (ev): 0.2194 0.2194 0.2194 0.2194 5.7029 5.7029 5.7029 5.7029 7.5889 7.5889 7.5889 7.5889 8.4266 8.4266 8.4266 8.4266 9.6917 9.6917 9.6917 9.6917 10.2413 10.2413 10.2413 10.2413 10.7140 10.7140 10.7140 10.7140 11.3228 11.3228 11.3228 11.3228 11.4283 11.4283 11.4283 11.4283 11.6946 11.6946 11.6946 11.6946 12.1191 12.1191 12.1191 12.1191 12.6358 12.6358 12.6358 12.6358 13.4709 13.4709 k = 0.0000 0.5000 0.0787 ( 2768 PWs) bands (ev): 0.2223 0.2223 0.2223 0.2223 5.6712 5.6712 5.6712 5.6712 7.6163 7.6163 7.6163 7.6163 8.4281 8.4281 8.4281 8.4281 9.6974 9.6974 9.6974 9.6974 10.2396 10.2396 10.2396 10.2396 10.7249 10.7249 10.7249 10.7249 11.3196 11.3196 11.3196 11.3196 11.4186 11.4186 11.4186 11.4186 11.6999 11.6999 11.6999 11.6999 12.1295 12.1295 12.1295 12.1295 12.6176 12.6176 12.6176 12.6176 13.5046 13.5046 k = 0.0000 0.5000 0.0900 ( 2776 PWs) bands (ev): 0.2255 0.2255 0.2255 0.2255 5.6369 5.6369 5.6369 5.6369 7.6456 7.6456 7.6456 7.6456 8.4297 8.4297 8.4297 8.4297 9.7038 9.7038 9.7038 9.7038 10.2376 10.2376 10.2376 10.2376 10.7372 10.7372 10.7372 10.7372 11.3158 11.3158 11.3158 11.3158 11.4082 11.4082 11.4082 11.4082 11.7059 11.7059 11.7059 11.7059 12.1408 12.1408 12.1408 12.1408 12.5978 12.5978 12.5978 12.5978 13.5427 13.5427 k = 0.0000 0.5000 0.1012 ( 2772 PWs) bands (ev): 0.2290 0.2290 0.2290 0.2290 5.6008 5.6008 5.6008 5.6008 7.6761 7.6761 7.6761 7.6761 8.4316 8.4316 8.4316 8.4316 9.7109 9.7109 9.7109 9.7109 10.2355 10.2355 10.2355 10.2355 10.7509 10.7509 10.7509 10.7509 11.3117 11.3117 11.3117 11.3117 11.3975 11.3975 11.3975 11.3975 11.7125 11.7125 11.7125 11.7125 12.1526 12.1526 12.1526 12.1526 12.5769 12.5769 12.5769 12.5769 13.5851 13.5851 k = 0.0000 0.5000 0.1125 ( 2782 PWs) bands (ev): 0.2327 0.2327 0.2327 0.2327 5.5634 5.5634 5.5634 5.5634 7.7072 7.7072 7.7072 7.7072 8.4335 8.4335 8.4335 8.4335 9.7185 9.7185 9.7185 9.7185 10.2331 10.2331 10.2331 10.2331 10.7657 10.7657 10.7657 10.7657 11.3069 11.3069 11.3069 11.3069 11.3865 11.3865 11.3865 11.3865 11.7196 11.7196 11.7196 11.7196 12.1648 12.1648 12.1648 12.1648 12.5549 12.5549 12.5549 12.5549 13.6316 13.6316 k = 0.0000 0.5000 0.1237 ( 2786 PWs) bands (ev): 0.2367 0.2367 0.2367 0.2367 5.5254 5.5254 5.5254 5.5254 7.7384 7.7384 7.7384 7.7384 8.4355 8.4355 8.4355 8.4355 9.7267 9.7267 9.7267 9.7267 10.2306 10.2306 10.2306 10.2306 10.7817 10.7817 10.7817 10.7817 11.3016 11.3016 11.3016 11.3016 11.3758 11.3758 11.3758 11.3758 11.7271 11.7271 11.7271 11.7271 12.1772 12.1772 12.1772 12.1772 12.5323 12.5323 12.5323 12.5323 13.6822 13.6822 k = 0.0000 0.5000 0.1349 ( 2778 PWs) bands (ev): 0.2408 0.2408 0.2408 0.2408 5.4872 5.4872 5.4872 5.4872 7.7692 7.7692 7.7692 7.7692 8.4377 8.4377 8.4377 8.4377 9.7354 9.7354 9.7354 9.7354 10.2281 10.2281 10.2281 10.2281 10.7987 10.7987 10.7987 10.7987 11.2958 11.2958 11.2958 11.2958 11.3653 11.3653 11.3653 11.3653 11.7352 11.7352 11.7352 11.7352 12.1896 12.1896 12.1896 12.1896 12.5093 12.5093 12.5093 12.5093 13.7368 13.7368 k = 0.0000 0.5000 0.1462 ( 2778 PWs) bands (ev): 0.2450 0.2450 0.2450 0.2450 5.4495 5.4495 5.4495 5.4495 7.7991 7.7991 7.7991 7.7991 8.4399 8.4399 8.4399 8.4399 9.7442 9.7442 9.7442 9.7442 10.2255 10.2255 10.2255 10.2255 10.8164 10.8164 10.8164 10.8164 11.2895 11.2895 11.2895 11.2895 11.3554 11.3554 11.3554 11.3554 11.7435 11.7435 11.7435 11.7435 12.2017 12.2017 12.2017 12.2017 12.4860 12.4860 12.4860 12.4860 13.7953 13.7953 k = 0.0000 0.5000 0.1574 ( 2778 PWs) bands (ev): 0.2493 0.2493 0.2493 0.2493 5.4127 5.4127 5.4127 5.4127 7.8279 7.8279 7.8279 7.8279 8.4422 8.4422 8.4422 8.4422 9.7533 9.7533 9.7533 9.7533 10.2228 10.2228 10.2228 10.2228 10.8347 10.8347 10.8347 10.8347 11.2827 11.2827 11.2827 11.2827 11.3460 11.3460 11.3460 11.3460 11.7519 11.7519 11.7519 11.7519 12.2133 12.2133 12.2133 12.2133 12.4628 12.4628 12.4628 12.4628 13.8576 13.8576 k = 0.0000 0.5000 0.1687 ( 2780 PWs) bands (ev): 0.2536 0.2536 0.2536 0.2536 5.3771 5.3771 5.3771 5.3771 7.8552 7.8552 7.8552 7.8552 8.4444 8.4444 8.4444 8.4444 9.7623 9.7623 9.7623 9.7623 10.2201 10.2201 10.2201 10.2201 10.8534 10.8534 10.8534 10.8534 11.2757 11.2757 11.2757 11.2757 11.3372 11.3372 11.3372 11.3372 11.7604 11.7604 11.7604 11.7604 12.2245 12.2245 12.2245 12.2245 12.4399 12.4399 12.4399 12.4399 13.9237 13.9237 k = 0.0000 0.5000 0.1799 ( 2780 PWs) bands (ev): 0.2577 0.2577 0.2577 0.2577 5.3431 5.3431 5.3431 5.3431 7.8807 7.8807 7.8807 7.8807 8.4466 8.4466 8.4466 8.4466 9.7713 9.7713 9.7713 9.7713 10.2175 10.2175 10.2175 10.2175 10.8722 10.8722 10.8722 10.8722 11.2685 11.2685 11.2685 11.2685 11.3290 11.3290 11.3290 11.3290 11.7688 11.7688 11.7688 11.7688 12.2350 12.2350 12.2350 12.2350 12.4175 12.4175 12.4175 12.4175 13.9932 13.9932 k = 0.0000 0.5000 0.1912 ( 2784 PWs) bands (ev): 0.2618 0.2618 0.2618 0.2618 5.3111 5.3111 5.3111 5.3111 7.9044 7.9044 7.9044 7.9044 8.4487 8.4487 8.4487 8.4487 9.7801 9.7801 9.7801 9.7801 10.2148 10.2148 10.2148 10.2148 10.8909 10.8909 10.8909 10.8909 11.2613 11.2613 11.2613 11.2613 11.3212 11.3212 11.3212 11.3212 11.7771 11.7771 11.7771 11.7771 12.2448 12.2448 12.2448 12.2448 12.3959 12.3959 12.3959 12.3959 14.0660 14.0660 k = 0.0000 0.5000 0.2024 ( 2786 PWs) bands (ev): 0.2657 0.2657 0.2657 0.2657 5.2813 5.2813 5.2813 5.2813 7.9261 7.9261 7.9261 7.9261 8.4507 8.4507 8.4507 8.4507 9.7885 9.7885 9.7885 9.7885 10.2123 10.2123 10.2123 10.2123 10.9092 10.9092 10.9092 10.9092 11.2545 11.2545 11.2545 11.2545 11.3140 11.3140 11.3140 11.3140 11.7850 11.7850 11.7850 11.7850 12.2536 12.2536 12.2536 12.2536 12.3753 12.3753 12.3753 12.3753 14.1417 14.1417 k = 0.0000 0.5000 0.2137 ( 2778 PWs) bands (ev): 0.2693 0.2693 0.2693 0.2693 5.2539 5.2539 5.2539 5.2539 7.9456 7.9456 7.9456 7.9456 8.4527 8.4527 8.4527 8.4527 9.7964 9.7964 9.7964 9.7964 10.2100 10.2100 10.2100 10.2100 10.9270 10.9270 10.9270 10.9270 11.2481 11.2481 11.2481 11.2481 11.3074 11.3074 11.3074 11.3074 11.7927 11.7927 11.7927 11.7927 12.2614 12.2614 12.2614 12.2614 12.3564 12.3564 12.3564 12.3564 14.2197 14.2197 k = 0.0000 0.5000 0.2249 ( 2782 PWs) bands (ev): 0.2727 0.2727 0.2727 0.2727 5.2293 5.2293 5.2293 5.2293 7.9629 7.9629 7.9629 7.9629 8.4544 8.4544 8.4544 8.4544 9.8037 9.8037 9.8037 9.8037 10.2078 10.2078 10.2078 10.2078 10.9437 10.9437 10.9437 10.9437 11.2423 11.2423 11.2423 11.2423 11.3010 11.3010 11.3010 11.3010 11.7997 11.7997 11.7997 11.7997 12.2677 12.2677 12.2677 12.2677 12.3393 12.3393 12.3393 12.3393 14.2992 14.2992 k = 0.0000 0.5000 0.2361 ( 2778 PWs) bands (ev): 0.2757 0.2757 0.2757 0.2757 5.2076 5.2076 5.2076 5.2076 7.9779 7.9779 7.9779 7.9779 8.4560 8.4560 8.4560 8.4560 9.8103 9.8103 9.8103 9.8103 10.2059 10.2059 10.2059 10.2059 10.9592 10.9592 10.9592 10.9592 11.2372 11.2372 11.2372 11.2372 11.2951 11.2951 11.2951 11.2951 11.8062 11.8062 11.8062 11.8062 12.2722 12.2722 12.2722 12.2722 12.3249 12.3249 12.3249 12.3249 14.3791 14.3791 k = 0.0000 0.5000 0.2474 ( 2782 PWs) bands (ev): 0.2783 0.2783 0.2783 0.2783 5.1889 5.1889 5.1889 5.1889 7.9907 7.9907 7.9907 7.9907 8.4574 8.4574 8.4574 8.4574 9.8160 9.8160 9.8160 9.8160 10.2042 10.2042 10.2042 10.2042 10.9730 10.9730 10.9730 10.9730 11.2329 11.2329 11.2329 11.2329 11.2897 11.2897 11.2897 11.2897 11.8120 11.8120 11.8120 11.8120 12.2739 12.2739 12.2739 12.2739 12.3141 12.3141 12.3141 12.3141 14.4576 14.4576 k = 0.0000 0.5000 0.2586 ( 2786 PWs) bands (ev): 0.2805 0.2805 0.2805 0.2805 5.1735 5.1735 5.1735 5.1735 8.0011 8.0011 8.0011 8.0011 8.4585 8.4585 8.4585 8.4585 9.8207 9.8207 9.8207 9.8207 10.2027 10.2027 10.2027 10.2027 10.9849 10.9849 10.9849 10.9849 11.2294 11.2294 11.2294 11.2294 11.2848 11.2848 11.2848 11.2848 11.8169 11.8169 11.8169 11.8169 12.2722 12.2722 12.2722 12.2722 12.3081 12.3081 12.3081 12.3081 14.5325 14.5325 k = 0.0000 0.5000 0.2699 ( 2786 PWs) bands (ev): 0.2823 0.2823 0.2823 0.2823 5.1614 5.1614 5.1614 5.1614 8.0092 8.0092 8.0092 8.0092 8.4595 8.4595 8.4595 8.4595 9.8245 9.8245 9.8245 9.8245 10.2015 10.2015 10.2015 10.2015 10.9945 10.9945 10.9945 10.9945 11.2269 11.2269 11.2269 11.2269 11.2808 11.2808 11.2808 11.2808 11.8208 11.8208 11.8208 11.8208 12.2680 12.2680 12.2680 12.2680 12.3061 12.3061 12.3061 12.3061 14.6000 14.6000 k = 0.0000 0.5000 0.2811 ( 2782 PWs) bands (ev): 0.2836 0.2836 0.2836 0.2836 5.1526 5.1526 5.1526 5.1526 8.0150 8.0150 8.0150 8.0150 8.4601 8.4601 8.4601 8.4601 9.8274 9.8274 9.8274 9.8274 10.2007 10.2007 10.2007 10.2007 11.0017 11.0017 11.0017 11.0017 11.2251 11.2251 11.2251 11.2251 11.2776 11.2776 11.2776 11.2776 11.8237 11.8237 11.8237 11.8237 12.2635 12.2635 12.2635 12.2635 12.3060 12.3060 12.3060 12.3060 14.6553 14.6553 k = 0.0000 0.5000 0.2924 ( 2776 PWs) bands (ev): 0.2843 0.2843 0.2843 0.2843 5.1474 5.1474 5.1474 5.1474 8.0185 8.0185 8.0185 8.0185 8.4606 8.4606 8.4606 8.4606 9.8291 9.8291 9.8291 9.8291 10.2003 10.2003 10.2003 10.2003 11.0061 11.0061 11.0061 11.0061 11.2241 11.2241 11.2241 11.2241 11.2757 11.2757 11.2757 11.2757 11.8255 11.8255 11.8255 11.8255 12.2604 12.2604 12.2604 12.2604 12.3064 12.3064 12.3064 12.3064 14.6923 14.6923 k = 0.0000 0.5000 0.3036 ( 2776 PWs) bands (ev): 0.2846 0.2846 0.2846 0.2846 5.1456 5.1456 5.1456 5.1456 8.0197 8.0197 8.0197 8.0197 8.4607 8.4607 8.4607 8.4607 9.8296 9.8296 9.8296 9.8296 10.2001 10.2001 10.2001 10.2001 11.0076 11.0076 11.0076 11.0076 11.2238 11.2238 11.2238 11.2238 11.2751 11.2751 11.2751 11.2751 11.8261 11.8261 11.8261 11.8261 12.2593 12.2593 12.2593 12.2593 12.3066 12.3066 12.3066 12.3066 14.7054 14.7054 k = 0.5000 0.5000-0.0000 ( 2780 PWs) bands (ev): 0.8103 0.8103 0.8103 0.8103 5.9605 5.9605 5.9605 5.9605 8.1056 8.1056 8.1056 8.1056 8.2215 8.2215 8.2215 8.2215 9.4629 9.4629 9.4629 9.4629 9.6736 9.6736 9.6736 9.6736 10.5264 10.5264 10.5264 10.5264 11.2311 11.2311 11.2311 11.2311 11.4708 11.4708 11.4708 11.4708 11.5092 11.5092 11.5092 11.5092 12.2895 12.2895 12.2895 12.2895 12.6605 12.6605 12.6605 12.6605 12.8415 12.8415 k = 0.5000 0.5000 0.0112 ( 2780 PWs) bands (ev): 0.8103 0.8103 0.8103 0.8103 5.9612 5.9612 5.9612 5.9612 8.1029 8.1029 8.1029 8.1029 8.2202 8.2202 8.2202 8.2202 9.4658 9.4658 9.4658 9.4658 9.6728 9.6728 9.6728 9.6728 10.5261 10.5261 10.5261 10.5261 11.2319 11.2319 11.2319 11.2319 11.4711 11.4711 11.4711 11.4711 11.5095 11.5095 11.5095 11.5095 12.2895 12.2895 12.2895 12.2895 12.6603 12.6603 12.6603 12.6603 12.8394 12.8394 k = 0.5000 0.5000 0.0225 ( 2772 PWs) bands (ev): 0.8105 0.8105 0.8105 0.8105 5.9636 5.9636 5.9636 5.9636 8.0945 8.0945 8.0945 8.0945 8.2166 8.2166 8.2166 8.2166 9.4746 9.4746 9.4746 9.4746 9.6703 9.6703 9.6703 9.6703 10.5251 10.5251 10.5251 10.5251 11.2344 11.2344 11.2344 11.2344 11.4722 11.4722 11.4722 11.4722 11.5103 11.5103 11.5103 11.5103 12.2897 12.2897 12.2897 12.2897 12.6598 12.6598 12.6598 12.6598 12.8330 12.8330 k = 0.5000 0.5000 0.0337 ( 2772 PWs) bands (ev): 0.8109 0.8109 0.8109 0.8109 5.9676 5.9676 5.9676 5.9676 8.0803 8.0803 8.0803 8.0803 8.2112 8.2112 8.2112 8.2112 9.4888 9.4888 9.4888 9.4888 9.6663 9.6663 9.6663 9.6663 10.5234 10.5234 10.5234 10.5234 11.2384 11.2384 11.2384 11.2384 11.4737 11.4737 11.4737 11.4737 11.5116 11.5116 11.5116 11.5116 12.2899 12.2899 12.2899 12.2899 12.6589 12.6589 12.6589 12.6589 12.8228 12.8228 k = 0.5000 0.5000 0.0450 ( 2768 PWs) bands (ev): 0.8113 0.8113 0.8113 0.8113 5.9731 5.9731 5.9731 5.9731 8.0605 8.0605 8.0605 8.0605 8.2044 8.2044 8.2044 8.2044 9.5079 9.5079 9.5079 9.5079 9.6608 9.6608 9.6608 9.6608 10.5211 10.5211 10.5211 10.5211 11.2439 11.2439 11.2439 11.2439 11.4755 11.4755 11.4755 11.4755 11.5135 11.5135 11.5135 11.5135 12.2902 12.2902 12.2902 12.2902 12.6576 12.6576 12.6576 12.6576 12.8093 12.8093 k = 0.5000 0.5000 0.0562 ( 2776 PWs) bands (ev): 0.8119 0.8119 0.8119 0.8119 5.9801 5.9801 5.9801 5.9801 8.0351 8.0351 8.0351 8.0351 8.1968 8.1968 8.1968 8.1968 9.5312 9.5312 9.5312 9.5312 9.6540 9.6540 9.6540 9.6540 10.5181 10.5181 10.5181 10.5181 11.2509 11.2509 11.2509 11.2509 11.4774 11.4774 11.4774 11.4774 11.5162 11.5162 11.5162 11.5162 12.2905 12.2905 12.2905 12.2905 12.6559 12.6559 12.6559 12.6559 12.7930 12.7930 k = 0.5000 0.5000 0.0675 ( 2776 PWs) bands (ev): 0.8126 0.8126 0.8126 0.8126 5.9886 5.9886 5.9886 5.9886 8.0048 8.0048 8.0048 8.0048 8.1887 8.1887 8.1887 8.1887 9.5581 9.5581 9.5581 9.5581 9.6460 9.6460 9.6460 9.6460 10.5145 10.5145 10.5145 10.5145 11.2592 11.2592 11.2592 11.2592 11.4793 11.4793 11.4793 11.4793 11.5198 11.5198 11.5198 11.5198 12.2910 12.2910 12.2910 12.2910 12.6535 12.6535 12.6535 12.6535 12.7748 12.7748 k = 0.5000 0.5000 0.0787 ( 2764 PWs) bands (ev): 0.8134 0.8134 0.8134 0.8134 5.9986 5.9986 5.9986 5.9986 7.9702 7.9702 7.9702 7.9702 8.1801 8.1801 8.1801 8.1801 9.5876 9.5876 9.5876 9.5876 9.6375 9.6375 9.6375 9.6375 10.5105 10.5105 10.5105 10.5105 11.2689 11.2689 11.2689 11.2689 11.4809 11.4809 11.4809 11.4809 11.5246 11.5246 11.5246 11.5246 12.2916 12.2916 12.2916 12.2916 12.6504 12.6504 12.6504 12.6504 12.7553 12.7553 k = 0.5000 0.5000 0.0900 ( 2764 PWs) bands (ev): 0.8142 0.8142 0.8142 0.8142 6.0100 6.0100 6.0100 6.0100 7.9321 7.9321 7.9321 7.9321 8.1710 8.1710 8.1710 8.1710 9.6155 9.6155 9.6155 9.6155 9.6318 9.6318 9.6318 9.6318 10.5058 10.5058 10.5058 10.5058 11.2797 11.2797 11.2797 11.2797 11.4822 11.4822 11.4822 11.4822 11.5301 11.5301 11.5301 11.5301 12.2921 12.2921 12.2921 12.2921 12.6460 12.6460 12.6460 12.6460 12.7353 12.7353 k = 0.5000 0.5000 0.1012 ( 2764 PWs) bands (ev): 0.8152 0.8152 0.8152 0.8152 6.0227 6.0227 6.0227 6.0227 7.8910 7.8910 7.8910 7.8910 8.1616 8.1616 8.1616 8.1616 9.6143 9.6143 9.6143 9.6143 9.6562 9.6562 9.6562 9.6562 10.5007 10.5007 10.5007 10.5007 11.2915 11.2915 11.2915 11.2915 11.4831 11.4831 11.4831 11.4831 11.5365 11.5365 11.5365 11.5365 12.2927 12.2927 12.2927 12.2927 12.6398 12.6398 12.6398 12.6398 12.7160 12.7160 k = 0.5000 0.5000 0.1125 ( 2764 PWs) bands (ev): 0.8162 0.8162 0.8162 0.8162 6.0367 6.0367 6.0367 6.0367 7.8479 7.8479 7.8479 7.8479 8.1519 8.1519 8.1519 8.1519 9.6041 9.6041 9.6041 9.6041 9.6903 9.6903 9.6903 9.6903 10.4950 10.4950 10.4950 10.4950 11.3043 11.3043 11.3043 11.3043 11.4838 11.4838 11.4838 11.4838 11.5435 11.5435 11.5435 11.5435 12.2932 12.2932 12.2932 12.2932 12.6307 12.6307 12.6307 12.6307 12.6988 12.6988 k = 0.5000 0.5000 0.1237 ( 2764 PWs) bands (ev): 0.8173 0.8173 0.8173 0.8173 6.0519 6.0519 6.0519 6.0519 7.8032 7.8032 7.8032 7.8032 8.1420 8.1420 8.1420 8.1420 9.5931 9.5931 9.5931 9.5931 9.7254 9.7254 9.7254 9.7254 10.4890 10.4890 10.4890 10.4890 11.3178 11.3178 11.3178 11.3178 11.4842 11.4842 11.4842 11.4842 11.5509 11.5509 11.5509 11.5509 12.2938 12.2938 12.2938 12.2938 12.6176 12.6176 12.6176 12.6176 12.6850 12.6850 k = 0.5000 0.5000 0.1349 ( 2760 PWs) bands (ev): 0.8184 0.8184 0.8184 0.8184 6.0682 6.0682 6.0682 6.0682 7.7576 7.7576 7.7576 7.7576 8.1318 8.1318 8.1318 8.1318 9.5820 9.5820 9.5820 9.5820 9.7608 9.7608 9.7608 9.7608 10.4825 10.4825 10.4825 10.4825 11.3320 11.3320 11.3320 11.3320 11.4845 11.4845 11.4845 11.4845 11.5586 11.5586 11.5586 11.5586 12.2944 12.2944 12.2944 12.2944 12.6006 12.6006 12.6006 12.6006 12.6751 12.6751 k = 0.5000 0.5000 0.1462 ( 2792 PWs) bands (ev): 0.8195 0.8195 0.8195 0.8195 6.0854 6.0854 6.0854 6.0854 7.7114 7.7114 7.7114 7.7114 8.1215 8.1215 8.1215 8.1215 9.5707 9.5707 9.5707 9.5707 9.7959 9.7959 9.7959 9.7959 10.4756 10.4756 10.4756 10.4756 11.3464 11.3464 11.3464 11.3464 11.4844 11.4844 11.4844 11.4844 11.5663 11.5663 11.5663 11.5663 12.2948 12.2948 12.2948 12.2948 12.5805 12.5805 12.5805 12.5805 12.6679 12.6679 k = 0.5000 0.5000 0.1574 ( 2800 PWs) bands (ev): 0.8206 0.8206 0.8206 0.8206 6.1034 6.1034 6.1034 6.1034 7.6654 7.6654 7.6654 7.6654 8.1113 8.1113 8.1113 8.1113 9.5597 9.5597 9.5597 9.5597 9.8304 9.8304 9.8304 9.8304 10.4683 10.4683 10.4683 10.4683 11.3611 11.3611 11.3611 11.3611 11.4846 11.4846 11.4846 11.4846 11.5740 11.5740 11.5740 11.5740 12.2953 12.2953 12.2953 12.2953 12.5591 12.5591 12.5591 12.5591 12.6627 12.6627 k = 0.5000 0.5000 0.1687 ( 2792 PWs) bands (ev): 0.8218 0.8218 0.8218 0.8218 6.1221 6.1221 6.1221 6.1221 7.6198 7.6198 7.6198 7.6198 8.1012 8.1012 8.1012 8.1012 9.5493 9.5493 9.5493 9.5493 9.8643 9.8643 9.8643 9.8643 10.4608 10.4608 10.4608 10.4608 11.3761 11.3761 11.3761 11.3761 11.4849 11.4849 11.4849 11.4849 11.5815 11.5815 11.5815 11.5815 12.2957 12.2957 12.2957 12.2957 12.5373 12.5373 12.5373 12.5373 12.6586 12.6586 k = 0.5000 0.5000 0.1799 ( 2792 PWs) bands (ev): 0.8229 0.8229 0.8229 0.8229 6.1413 6.1413 6.1413 6.1413 7.5752 7.5752 7.5752 7.5752 8.0913 8.0913 8.0913 8.0913 9.5393 9.5393 9.5393 9.5393 9.8969 9.8969 9.8969 9.8969 10.4530 10.4530 10.4530 10.4530 11.3906 11.3906 11.3906 11.3906 11.4852 11.4852 11.4852 11.4852 11.5888 11.5888 11.5888 11.5888 12.2961 12.2961 12.2961 12.2961 12.5157 12.5157 12.5157 12.5157 12.6552 12.6552 k = 0.5000 0.5000 0.1912 ( 2804 PWs) bands (ev): 0.8240 0.8240 0.8240 0.8240 6.1607 6.1607 6.1607 6.1607 7.5320 7.5320 7.5320 7.5320 8.0818 8.0818 8.0818 8.0818 9.5298 9.5298 9.5298 9.5298 9.9281 9.9281 9.9281 9.9281 10.4449 10.4449 10.4449 10.4449 11.4047 11.4047 11.4047 11.4047 11.4857 11.4857 11.4857 11.4857 11.5957 11.5957 11.5957 11.5957 12.2963 12.2963 12.2963 12.2963 12.4948 12.4948 12.4948 12.4948 12.6523 12.6523 k = 0.5000 0.5000 0.2024 ( 2808 PWs) bands (ev): 0.8250 0.8250 0.8250 0.8250 6.1800 6.1800 6.1800 6.1800 7.4907 7.4907 7.4907 7.4907 8.0727 8.0727 8.0727 8.0727 9.5211 9.5211 9.5211 9.5211 9.9577 9.9577 9.9577 9.9577 10.4367 10.4367 10.4367 10.4367 11.4180 11.4180 11.4180 11.4180 11.4865 11.4865 11.4865 11.4865 11.6021 11.6021 11.6021 11.6021 12.2964 12.2964 12.2964 12.2964 12.4749 12.4749 12.4749 12.4749 12.6497 12.6497 k = 0.5000 0.5000 0.2137 ( 2800 PWs) bands (ev): 0.8259 0.8259 0.8259 0.8259 6.1990 6.1990 6.1990 6.1990 7.4516 7.4516 7.4516 7.4516 8.0643 8.0643 8.0643 8.0643 9.5132 9.5132 9.5132 9.5132 9.9855 9.9855 9.9855 9.9855 10.4285 10.4285 10.4285 10.4285 11.4301 11.4301 11.4301 11.4301 11.4878 11.4878 11.4878 11.4878 11.6081 11.6081 11.6081 11.6081 12.2965 12.2965 12.2965 12.2965 12.4565 12.4565 12.4565 12.4565 12.6474 12.6474 k = 0.5000 0.5000 0.2249 ( 2808 PWs) bands (ev): 0.8268 0.8268 0.8268 0.8268 6.2173 6.2173 6.2173 6.2173 7.4154 7.4154 7.4154 7.4154 8.0566 8.0566 8.0566 8.0566 9.5060 9.5060 9.5060 9.5060 10.0111 10.0111 10.0111 10.0111 10.4202 10.4202 10.4202 10.4202 11.4406 11.4406 11.4406 11.4406 11.4899 11.4899 11.4899 11.4899 11.6134 11.6134 11.6134 11.6134 12.2963 12.2963 12.2963 12.2963 12.4396 12.4396 12.4396 12.4396 12.6454 12.6454 k = 0.5000 0.5000 0.2361 ( 2808 PWs) bands (ev): 0.8276 0.8276 0.8276 0.8276 6.2344 6.2344 6.2344 6.2344 7.3824 7.3824 7.3824 7.3824 8.0497 8.0497 8.0497 8.0497 9.4997 9.4997 9.4997 9.4997 10.0345 10.0345 10.0345 10.0345 10.4122 10.4122 10.4122 10.4122 11.4490 11.4490 11.4490 11.4490 11.4928 11.4928 11.4928 11.4928 11.6182 11.6182 11.6182 11.6182 12.2959 12.2959 12.2959 12.2959 12.4247 12.4247 12.4247 12.4247 12.6436 12.6436 k = 0.5000 0.5000 0.2474 ( 2800 PWs) bands (ev): 0.8283 0.8283 0.8283 0.8283 6.2500 6.2500 6.2500 6.2500 7.3533 7.3533 7.3533 7.3533 8.0437 8.0437 8.0437 8.0437 9.4944 9.4944 9.4944 9.4944 10.0554 10.0554 10.0554 10.0554 10.4046 10.4046 10.4046 10.4046 11.4553 11.4553 11.4553 11.4553 11.4967 11.4967 11.4967 11.4967 11.6224 11.6224 11.6224 11.6224 12.2954 12.2954 12.2954 12.2954 12.4118 12.4118 12.4118 12.4118 12.6422 12.6422 k = 0.5000 0.5000 0.2586 ( 2800 PWs) bands (ev): 0.8289 0.8289 0.8289 0.8289 6.2637 6.2637 6.2637 6.2637 7.3285 7.3285 7.3285 7.3285 8.0386 8.0386 8.0386 8.0386 9.4900 9.4900 9.4900 9.4900 10.0731 10.0731 10.0731 10.0731 10.3976 10.3976 10.3976 10.3976 11.4596 11.4596 11.4596 11.4596 11.5010 11.5010 11.5010 11.5010 11.6258 11.6258 11.6258 11.6258 12.2948 12.2948 12.2948 12.2948 12.4012 12.4012 12.4012 12.4012 12.6409 12.6409 k = 0.5000 0.5000 0.2699 ( 2792 PWs) bands (ev): 0.8293 0.8293 0.8293 0.8293 6.2749 6.2749 6.2749 6.2749 7.3086 7.3086 7.3086 7.3086 8.0347 8.0347 8.0347 8.0347 9.4866 9.4866 9.4866 9.4866 10.0877 10.0877 10.0877 10.0877 10.3917 10.3917 10.3917 10.3917 11.4623 11.4623 11.4623 11.4623 11.5052 11.5052 11.5052 11.5052 11.6285 11.6285 11.6285 11.6285 12.2942 12.2942 12.2942 12.2942 12.3929 12.3929 12.3929 12.3929 12.6400 12.6400 k = 0.5000 0.5000 0.2811 ( 2784 PWs) bands (ev): 0.8297 0.8297 0.8297 0.8297 6.2832 6.2832 6.2832 6.2832 7.2940 7.2940 7.2940 7.2940 8.0318 8.0318 8.0318 8.0318 9.4842 9.4842 9.4842 9.4842 10.0984 10.0984 10.0984 10.0984 10.3872 10.3872 10.3872 10.3872 11.4640 11.4640 11.4640 11.4640 11.5086 11.5086 11.5086 11.5086 11.6305 11.6305 11.6305 11.6305 12.2936 12.2936 12.2936 12.2936 12.3869 12.3869 12.3869 12.3869 12.6393 12.6393 k = 0.5000 0.5000 0.2924 ( 2784 PWs) bands (ev): 0.8299 0.8299 0.8299 0.8299 6.2884 6.2884 6.2884 6.2884 7.2851 7.2851 7.2851 7.2851 8.0301 8.0301 8.0301 8.0301 9.4827 9.4827 9.4827 9.4827 10.1050 10.1050 10.1050 10.1050 10.3842 10.3842 10.3842 10.3842 11.4648 11.4648 11.4648 11.4648 11.5108 11.5108 11.5108 11.5108 11.6317 11.6317 11.6317 11.6317 12.2932 12.2932 12.2932 12.2932 12.3834 12.3834 12.3834 12.3834 12.6389 12.6389 k = 0.5000 0.5000 0.3036 ( 2784 PWs) bands (ev): 0.8300 0.8300 0.8300 0.8300 6.2901 6.2901 6.2901 6.2901 7.2821 7.2821 7.2821 7.2821 8.0295 8.0295 8.0295 8.0295 9.4822 9.4822 9.4822 9.4822 10.1073 10.1073 10.1073 10.1073 10.3832 10.3832 10.3832 10.3832 11.4651 11.4651 11.4651 11.4651 11.5116 11.5116 11.5116 11.5116 11.6320 11.6320 11.6320 11.6320 12.2930 12.2930 12.2930 12.2930 12.3822 12.3822 12.3822 12.3822 12.6387 12.6387 Writing output data file Fe2As.save init_run : 1.07s CPU 1.18s WALL ( 1 calls) electrons : 159.86s CPU 162.99s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 159.85s CPU 162.98s 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 : 0.05s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.04s WALL ( 390 calls) cegterg : 144.80s CPU 147.01s WALL ( 568 calls) Called by sum_band: Called by *egterg: h_psi : 76.47s CPU 78.22s WALL ( 9245 calls) s_psi : 7.06s CPU 6.98s WALL ( 9245 calls) g_psi : 0.17s CPU 0.23s WALL ( 8287 calls) cdiaghg : 58.74s CPU 59.16s WALL ( 8677 calls) cegterg:over : 5.85s CPU 5.83s WALL ( 8287 calls) cegterg:upda : 4.18s CPU 4.21s WALL ( 8287 calls) cegterg:last : 2.77s CPU 2.89s WALL ( 1650 calls) cdiaghg:chol : 3.16s CPU 3.23s WALL ( 8677 calls) cdiaghg:inve : 2.10s CPU 2.16s WALL ( 8677 calls) cdiaghg:para : 3.26s CPU 3.54s WALL ( 17354 calls) Called by h_psi: h_psi:vloc : 60.88s CPU 62.33s WALL ( 9245 calls) h_psi:vnl : 15.42s CPU 15.68s WALL ( 9245 calls) add_vuspsi : 8.22s CPU 8.50s WALL ( 9245 calls) General routines calbec : 7.16s CPU 7.16s WALL ( 9245 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 57.75s CPU 59.01s WALL ( 1050584 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.15s CPU 0.49s WALL ( 780 calls) Parallel routines fft_scatter : 24.44s CPU 24.77s WALL ( 1050607 calls) PWSCF : 2m55.25s CPU 3m 9.13s WALL This run was terminated on: 13:10:13 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=