Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 14:25:50 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: ./LiBeP.save/ file Be.rel-pbe-s-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2P 2P 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 90 42 12 6420 2074 316 Max 91 43 13 6425 2099 321 Sum 3241 1533 437 231179 75205 11499 bravais-lattice index = 14 lattice parameter (alat) = 6.8351 a.u. unit-cell volume = 532.5432 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 24.00 number of Kohn-Sham states= 32 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 871.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.835139 celldm(2)= 1.000000 celldm(3)= 1.667680 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 1.667680 ) 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 0.599635 ) PseudoPot. # 1 for Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 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 Be read from file: /users/gautes/Pseudo/Be.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 56f92c253d4d86db330921f37562b9e7 Pseudo is Ultrasoft, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1041 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. # 3 for P read from file: /users/gautes/Pseudo/P.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 667ec27f6326587e4f0d1734a2230026 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1147 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Li 3.00 6.94100 Li( 1.00) Be 4.00 9.01220 Be( 1.00) P 5.00 30.97380 P( 1.00) 16 Sym. Ops., with inversion, found (12 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 5 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 -1 0 ) f =( -0.5000000 ) ( -1 0 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) f =( -0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) f =( -0.5000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) f =( -0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) f =( 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 9 inversion cryst. s( 9) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 9) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(10) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(10) = ( 1.0000000 0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 11 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(11) = ( 1.0000000 -0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 12 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(12) = ( -1 0 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(12) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 13 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(13) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(13) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(14) = ( 0 1 0 ) f =( -0.5000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(14) = ( 0.0000000 1.0000000 -0.0000000 ) f =( -0.5000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 15 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(15) = ( 0 1 0 ) f =( -0.5000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(15) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.5000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 16 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(16) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(16) = ( -0.0000000 1.0000000 -0.0000000 ) f =( 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) double point group D_4h(4/mmm) there are 14 classes and 4 irreducible representations the character table: E -E 2C4 -2C4 C2 2C2' 2C2'' i -i 2S4 -2S4 s_h -C2 -2C2' -2C2' -s_h G_6+ 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 2.00 -2.00 1.41 -1.41 0.00 G_7+ 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 2.00 -2.00 -1.41 1.41 0.00 G_6- 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 -2.00 2.00 -1.41 1.41 0.00 G_7- 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 -2.00 2.00 1.41 -1.41 0.00 2s_v 2s_d -2s_v -2s_d G_6+ 0.00 0.00 G_7+ 0.00 0.00 G_6- 0.00 0.00 G_7- 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C4 7 8 90 deg rotation - cart. axis [0,0,-1] -2C4 -7 -8 90 deg rotation - cart. axis [0,0,-1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 2C2'-2C2' 3 -3 4 -4 180 deg rotation - cart. axis [0,1,0] 2C2''-2C2' 5 -5 6 -6 180 deg rotation - cart. axis [1,1,0] i 9 inversion -i -9 inversion E 2S4 15 16 inv. 90 deg rotation - cart. axis [0,0,-1] -2S4 -15 -16 inv. 90 deg rotation - cart. axis [0,0,-1] E s_h -s_h 10 -10 inv. 180 deg rotation - cart. axis [0,0,1] 2s_v-2s_v 11 -11 12 -12 inv. 180 deg rotation - cart. axis [0,1,0] 2s_d-2s_d 13 -13 14 -14 inv. 180 deg rotation - cart. axis [1,1,0] Cartesian axes number of k points= 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 0.0111044), wk = 0.0025641 k( 156) = ( 0.0000000 0.0000000 0.0222087), wk = 0.0025641 k( 157) = ( 0.0000000 0.0000000 0.0333131), wk = 0.0025641 k( 158) = ( 0.0000000 0.0000000 0.0444174), wk = 0.0025641 k( 159) = ( 0.0000000 0.0000000 0.0555218), wk = 0.0025641 k( 160) = ( 0.0000000 0.0000000 0.0666261), wk = 0.0025641 k( 161) = ( 0.0000000 0.0000000 0.0777305), wk = 0.0025641 k( 162) = ( 0.0000000 0.0000000 0.0888349), wk = 0.0025641 k( 163) = ( 0.0000000 0.0000000 0.0999392), wk = 0.0025641 k( 164) = ( 0.0000000 0.0000000 0.1110436), wk = 0.0025641 k( 165) = ( 0.0000000 0.0000000 0.1221479), wk = 0.0025641 k( 166) = ( 0.0000000 0.0000000 0.1332523), wk = 0.0025641 k( 167) = ( 0.0000000 0.0000000 0.1443566), wk = 0.0025641 k( 168) = ( 0.0000000 0.0000000 0.1554610), wk = 0.0025641 k( 169) = ( 0.0000000 0.0000000 0.1665654), wk = 0.0025641 k( 170) = ( 0.0000000 0.0000000 0.1776697), wk = 0.0025641 k( 171) = ( 0.0000000 0.0000000 0.1887741), wk = 0.0025641 k( 172) = ( 0.0000000 0.0000000 0.1998784), wk = 0.0025641 k( 173) = ( 0.0000000 0.0000000 0.2109828), wk = 0.0025641 k( 174) = ( 0.0000000 0.0000000 0.2220871), wk = 0.0025641 k( 175) = ( 0.0000000 0.0000000 0.2331915), wk = 0.0025641 k( 176) = ( 0.0000000 0.0000000 0.2442959), wk = 0.0025641 k( 177) = ( 0.0000000 0.0000000 0.2554002), wk = 0.0025641 k( 178) = ( 0.0000000 0.0000000 0.2665046), wk = 0.0025641 k( 179) = ( 0.0000000 0.0000000 0.2776089), wk = 0.0025641 k( 180) = ( 0.0000000 0.0000000 0.2887133), wk = 0.0025641 k( 181) = ( 0.0000000 0.0000000 0.2998176), wk = 0.0025641 k( 182) = ( 0.0000000 0.0000000 0.2998176), wk = 0.0025641 k( 183) = ( 0.0000000 0.0113636 0.2998176), wk = 0.0025641 k( 184) = ( 0.0000000 0.0227273 0.2998176), wk = 0.0025641 k( 185) = ( 0.0000000 0.0340909 0.2998176), wk = 0.0025641 k( 186) = ( 0.0000000 0.0454546 0.2998176), wk = 0.0025641 k( 187) = ( 0.0000000 0.0568182 0.2998176), wk = 0.0025641 k( 188) = ( 0.0000000 0.0681818 0.2998176), wk = 0.0025641 k( 189) = ( 0.0000000 0.0795455 0.2998176), wk = 0.0025641 k( 190) = ( 0.0000000 0.0909091 0.2998176), wk = 0.0025641 k( 191) = ( 0.0000000 0.1022727 0.2998176), wk = 0.0025641 k( 192) = ( 0.0000000 0.1136364 0.2998176), wk = 0.0025641 k( 193) = ( 0.0000000 0.1250000 0.2998176), wk = 0.0025641 k( 194) = ( 0.0000000 0.1363636 0.2998176), wk = 0.0025641 k( 195) = ( 0.0000000 0.1477273 0.2998176), wk = 0.0025641 k( 196) = ( 0.0000000 0.1590909 0.2998176), wk = 0.0025641 k( 197) = ( 0.0000000 0.1704546 0.2998176), wk = 0.0025641 k( 198) = ( 0.0000000 0.1818182 0.2998176), wk = 0.0025641 k( 199) = ( 0.0000000 0.1931818 0.2998176), wk = 0.0025641 k( 200) = ( 0.0000000 0.2045454 0.2998176), wk = 0.0025641 k( 201) = ( 0.0000000 0.2159091 0.2998176), wk = 0.0025641 k( 202) = ( 0.0000000 0.2272727 0.2998176), wk = 0.0025641 k( 203) = ( 0.0000000 0.2386364 0.2998176), wk = 0.0025641 k( 204) = ( 0.0000000 0.2500000 0.2998176), wk = 0.0025641 k( 205) = ( 0.0000000 0.2613636 0.2998176), wk = 0.0025641 k( 206) = ( 0.0000000 0.2727273 0.2998176), wk = 0.0025641 k( 207) = ( 0.0000000 0.2840909 0.2998176), wk = 0.0025641 k( 208) = ( 0.0000000 0.2954545 0.2998176), wk = 0.0025641 k( 209) = ( 0.0000000 0.3068182 0.2998176), wk = 0.0025641 k( 210) = ( 0.0000000 0.3181818 0.2998176), wk = 0.0025641 k( 211) = ( 0.0000000 0.3295455 0.2998176), wk = 0.0025641 k( 212) = ( 0.0000000 0.3409091 0.2998176), wk = 0.0025641 k( 213) = ( 0.0000000 0.3522727 0.2998176), wk = 0.0025641 k( 214) = ( 0.0000000 0.3636364 0.2998176), wk = 0.0025641 k( 215) = ( 0.0000000 0.3750000 0.2998176), wk = 0.0025641 k( 216) = ( 0.0000000 0.3863636 0.2998176), wk = 0.0025641 k( 217) = ( 0.0000000 0.3977273 0.2998176), wk = 0.0025641 k( 218) = ( 0.0000000 0.4090909 0.2998176), wk = 0.0025641 k( 219) = ( 0.0000000 0.4204545 0.2998176), wk = 0.0025641 k( 220) = ( 0.0000000 0.4318182 0.2998176), wk = 0.0025641 k( 221) = ( 0.0000000 0.4431818 0.2998176), wk = 0.0025641 k( 222) = ( 0.0000000 0.4545455 0.2998176), wk = 0.0025641 k( 223) = ( 0.0000000 0.4659091 0.2998176), wk = 0.0025641 k( 224) = ( 0.0000000 0.4772727 0.2998176), wk = 0.0025641 k( 225) = ( 0.0000000 0.4886364 0.2998176), wk = 0.0025641 k( 226) = ( 0.0000000 0.5000000 0.2998176), wk = 0.0025641 k( 227) = ( 0.0000000 0.5000000 0.2998176), wk = 0.0025641 k( 228) = ( 0.0113636 0.5000000 0.2998176), wk = 0.0025641 k( 229) = ( 0.0227273 0.5000000 0.2998176), wk = 0.0025641 k( 230) = ( 0.0340909 0.5000000 0.2998176), wk = 0.0025641 k( 231) = ( 0.0454546 0.5000000 0.2998176), wk = 0.0025641 k( 232) = ( 0.0568182 0.5000000 0.2998176), wk = 0.0025641 k( 233) = ( 0.0681818 0.5000000 0.2998176), wk = 0.0025641 k( 234) = ( 0.0795455 0.5000000 0.2998176), wk = 0.0025641 k( 235) = ( 0.0909091 0.5000000 0.2998176), wk = 0.0025641 k( 236) = ( 0.1022727 0.5000000 0.2998176), wk = 0.0025641 k( 237) = ( 0.1136364 0.5000000 0.2998176), wk = 0.0025641 k( 238) = ( 0.1250000 0.5000000 0.2998176), wk = 0.0025641 k( 239) = ( 0.1363636 0.5000000 0.2998176), wk = 0.0025641 k( 240) = ( 0.1477273 0.5000000 0.2998176), wk = 0.0025641 k( 241) = ( 0.1590909 0.5000000 0.2998176), wk = 0.0025641 k( 242) = ( 0.1704546 0.5000000 0.2998176), wk = 0.0025641 k( 243) = ( 0.1818182 0.5000000 0.2998176), wk = 0.0025641 k( 244) = ( 0.1931818 0.5000000 0.2998176), wk = 0.0025641 k( 245) = ( 0.2045454 0.5000000 0.2998176), wk = 0.0025641 k( 246) = ( 0.2159091 0.5000000 0.2998176), wk = 0.0025641 k( 247) = ( 0.2272727 0.5000000 0.2998176), wk = 0.0025641 k( 248) = ( 0.2386364 0.5000000 0.2998176), wk = 0.0025641 k( 249) = ( 0.2500000 0.5000000 0.2998176), wk = 0.0025641 k( 250) = ( 0.2613636 0.5000000 0.2998176), wk = 0.0025641 k( 251) = ( 0.2727273 0.5000000 0.2998176), wk = 0.0025641 k( 252) = ( 0.2840909 0.5000000 0.2998176), wk = 0.0025641 k( 253) = ( 0.2954545 0.5000000 0.2998176), wk = 0.0025641 k( 254) = ( 0.3068182 0.5000000 0.2998176), wk = 0.0025641 k( 255) = ( 0.3181818 0.5000000 0.2998176), wk = 0.0025641 k( 256) = ( 0.3295455 0.5000000 0.2998176), wk = 0.0025641 k( 257) = ( 0.3409091 0.5000000 0.2998176), wk = 0.0025641 k( 258) = ( 0.3522727 0.5000000 0.2998176), wk = 0.0025641 k( 259) = ( 0.3636364 0.5000000 0.2998176), wk = 0.0025641 k( 260) = ( 0.3750000 0.5000000 0.2998176), wk = 0.0025641 k( 261) = ( 0.3863636 0.5000000 0.2998176), wk = 0.0025641 k( 262) = ( 0.3977273 0.5000000 0.2998176), wk = 0.0025641 k( 263) = ( 0.4090909 0.5000000 0.2998176), wk = 0.0025641 k( 264) = ( 0.4204545 0.5000000 0.2998176), wk = 0.0025641 k( 265) = ( 0.4318182 0.5000000 0.2998176), wk = 0.0025641 k( 266) = ( 0.4431818 0.5000000 0.2998176), wk = 0.0025641 k( 267) = ( 0.4545455 0.5000000 0.2998176), wk = 0.0025641 k( 268) = ( 0.4659091 0.5000000 0.2998176), wk = 0.0025641 k( 269) = ( 0.4772727 0.5000000 0.2998176), wk = 0.0025641 k( 270) = ( 0.4886364 0.5000000 0.2998176), wk = 0.0025641 k( 271) = ( 0.5000000 0.5000000 0.2998176), wk = 0.0025641 k( 272) = ( 0.5000000 0.5000000 0.2998176), wk = 0.0025641 k( 273) = ( 0.4919355 0.4919355 0.2998176), wk = 0.0025641 k( 274) = ( 0.4838710 0.4838710 0.2998176), wk = 0.0025641 k( 275) = ( 0.4758064 0.4758064 0.2998176), wk = 0.0025641 k( 276) = ( 0.4677419 0.4677419 0.2998176), wk = 0.0025641 k( 277) = ( 0.4596774 0.4596774 0.2998176), wk = 0.0025641 k( 278) = ( 0.4516129 0.4516129 0.2998176), wk = 0.0025641 k( 279) = ( 0.4435484 0.4435484 0.2998176), wk = 0.0025641 k( 280) = ( 0.4354839 0.4354839 0.2998176), wk = 0.0025641 k( 281) = ( 0.4274193 0.4274193 0.2998176), wk = 0.0025641 k( 282) = ( 0.4193548 0.4193548 0.2998176), wk = 0.0025641 k( 283) = ( 0.4112903 0.4112903 0.2998176), wk = 0.0025641 k( 284) = ( 0.4032258 0.4032258 0.2998176), wk = 0.0025641 k( 285) = ( 0.3951613 0.3951613 0.2998176), wk = 0.0025641 k( 286) = ( 0.3870968 0.3870968 0.2998176), wk = 0.0025641 k( 287) = ( 0.3790323 0.3790323 0.2998176), wk = 0.0025641 k( 288) = ( 0.3709677 0.3709677 0.2998176), wk = 0.0025641 k( 289) = ( 0.3629032 0.3629032 0.2998176), wk = 0.0025641 k( 290) = ( 0.3548387 0.3548387 0.2998176), wk = 0.0025641 k( 291) = ( 0.3467742 0.3467742 0.2998176), wk = 0.0025641 k( 292) = ( 0.3387097 0.3387097 0.2998176), wk = 0.0025641 k( 293) = ( 0.3306452 0.3306452 0.2998176), wk = 0.0025641 k( 294) = ( 0.3225807 0.3225806 0.2998176), wk = 0.0025641 k( 295) = ( 0.3145161 0.3145161 0.2998176), wk = 0.0025641 k( 296) = ( 0.3064516 0.3064516 0.2998176), wk = 0.0025641 k( 297) = ( 0.2983871 0.2983871 0.2998176), wk = 0.0025641 k( 298) = ( 0.2903226 0.2903226 0.2998176), wk = 0.0025641 k( 299) = ( 0.2822581 0.2822581 0.2998176), wk = 0.0025641 k( 300) = ( 0.2741936 0.2741936 0.2998176), wk = 0.0025641 k( 301) = ( 0.2661290 0.2661290 0.2998176), wk = 0.0025641 k( 302) = ( 0.2580645 0.2580645 0.2998176), wk = 0.0025641 k( 303) = ( 0.2500000 0.2500000 0.2998176), wk = 0.0025641 k( 304) = ( 0.2419355 0.2419355 0.2998176), wk = 0.0025641 k( 305) = ( 0.2338710 0.2338710 0.2998176), wk = 0.0025641 k( 306) = ( 0.2258064 0.2258064 0.2998176), wk = 0.0025641 k( 307) = ( 0.2177419 0.2177419 0.2998176), wk = 0.0025641 k( 308) = ( 0.2096774 0.2096774 0.2998176), wk = 0.0025641 k( 309) = ( 0.2016129 0.2016129 0.2998176), wk = 0.0025641 k( 310) = ( 0.1935484 0.1935484 0.2998176), wk = 0.0025641 k( 311) = ( 0.1854839 0.1854839 0.2998176), wk = 0.0025641 k( 312) = ( 0.1774194 0.1774193 0.2998176), wk = 0.0025641 k( 313) = ( 0.1693548 0.1693548 0.2998176), wk = 0.0025641 k( 314) = ( 0.1612903 0.1612903 0.2998176), wk = 0.0025641 k( 315) = ( 0.1532258 0.1532258 0.2998176), wk = 0.0025641 k( 316) = ( 0.1451613 0.1451613 0.2998176), wk = 0.0025641 k( 317) = ( 0.1370968 0.1370968 0.2998176), wk = 0.0025641 k( 318) = ( 0.1290323 0.1290323 0.2998176), wk = 0.0025641 k( 319) = ( 0.1209677 0.1209677 0.2998176), wk = 0.0025641 k( 320) = ( 0.1129032 0.1129032 0.2998176), wk = 0.0025641 k( 321) = ( 0.1048387 0.1048387 0.2998176), wk = 0.0025641 k( 322) = ( 0.0967742 0.0967742 0.2998176), wk = 0.0025641 k( 323) = ( 0.0887097 0.0887097 0.2998176), wk = 0.0025641 k( 324) = ( 0.0806452 0.0806452 0.2998176), wk = 0.0025641 k( 325) = ( 0.0725806 0.0725806 0.2998176), wk = 0.0025641 k( 326) = ( 0.0645161 0.0645161 0.2998176), wk = 0.0025641 k( 327) = ( 0.0564516 0.0564516 0.2998176), wk = 0.0025641 k( 328) = ( 0.0483871 0.0483871 0.2998176), wk = 0.0025641 k( 329) = ( 0.0403226 0.0403226 0.2998176), wk = 0.0025641 k( 330) = ( 0.0322581 0.0322581 0.2998176), wk = 0.0025641 k( 331) = ( 0.0241936 0.0241935 0.2998176), wk = 0.0025641 k( 332) = ( 0.0161290 0.0161290 0.2998176), wk = 0.0025641 k( 333) = ( 0.0080645 0.0080645 0.2998176), wk = 0.0025641 k( 334) = ( 0.0000000 0.0000000 0.2998176), wk = 0.0025641 k( 335) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025641 k( 336) = ( 0.0000000 0.5000000 0.0111044), wk = 0.0025641 k( 337) = ( 0.0000000 0.5000000 0.0222087), wk = 0.0025641 k( 338) = ( 0.0000000 0.5000000 0.0333131), wk = 0.0025641 k( 339) = ( 0.0000000 0.5000000 0.0444174), wk = 0.0025641 k( 340) = ( 0.0000000 0.5000000 0.0555218), wk = 0.0025641 k( 341) = ( 0.0000000 0.5000000 0.0666261), wk = 0.0025641 k( 342) = ( 0.0000000 0.5000000 0.0777305), wk = 0.0025641 k( 343) = ( 0.0000000 0.5000000 0.0888349), wk = 0.0025641 k( 344) = ( 0.0000000 0.5000000 0.0999392), wk = 0.0025641 k( 345) = ( 0.0000000 0.5000000 0.1110436), wk = 0.0025641 k( 346) = ( 0.0000000 0.5000000 0.1221479), wk = 0.0025641 k( 347) = ( 0.0000000 0.5000000 0.1332523), wk = 0.0025641 k( 348) = ( 0.0000000 0.5000000 0.1443566), wk = 0.0025641 k( 349) = ( 0.0000000 0.5000000 0.1554610), wk = 0.0025641 k( 350) = ( 0.0000000 0.5000000 0.1665654), wk = 0.0025641 k( 351) = ( 0.0000000 0.5000000 0.1776697), wk = 0.0025641 k( 352) = ( 0.0000000 0.5000000 0.1887741), wk = 0.0025641 k( 353) = ( 0.0000000 0.5000000 0.1998784), wk = 0.0025641 k( 354) = ( 0.0000000 0.5000000 0.2109828), wk = 0.0025641 k( 355) = ( 0.0000000 0.5000000 0.2220871), wk = 0.0025641 k( 356) = ( 0.0000000 0.5000000 0.2331915), wk = 0.0025641 k( 357) = ( 0.0000000 0.5000000 0.2442959), wk = 0.0025641 k( 358) = ( 0.0000000 0.5000000 0.2554002), wk = 0.0025641 k( 359) = ( 0.0000000 0.5000000 0.2665046), wk = 0.0025641 k( 360) = ( 0.0000000 0.5000000 0.2776089), wk = 0.0025641 k( 361) = ( 0.0000000 0.5000000 0.2887133), wk = 0.0025641 k( 362) = ( 0.0000000 0.5000000 0.2998176), wk = 0.0025641 k( 363) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0025641 k( 364) = ( 0.5000000 0.5000000 0.0111044), wk = 0.0025641 k( 365) = ( 0.5000000 0.5000000 0.0222087), wk = 0.0025641 k( 366) = ( 0.5000000 0.5000000 0.0333131), wk = 0.0025641 k( 367) = ( 0.5000000 0.5000000 0.0444174), wk = 0.0025641 k( 368) = ( 0.5000000 0.5000000 0.0555218), wk = 0.0025641 k( 369) = ( 0.5000000 0.5000000 0.0666261), wk = 0.0025641 k( 370) = ( 0.5000000 0.5000000 0.0777305), wk = 0.0025641 k( 371) = ( 0.5000000 0.5000000 0.0888349), wk = 0.0025641 k( 372) = ( 0.5000000 0.5000000 0.0999392), wk = 0.0025641 k( 373) = ( 0.5000000 0.5000000 0.1110436), wk = 0.0025641 k( 374) = ( 0.5000000 0.5000000 0.1221479), wk = 0.0025641 k( 375) = ( 0.5000000 0.5000000 0.1332523), wk = 0.0025641 k( 376) = ( 0.5000000 0.5000000 0.1443566), wk = 0.0025641 k( 377) = ( 0.5000000 0.5000000 0.1554610), wk = 0.0025641 k( 378) = ( 0.5000000 0.5000000 0.1665654), wk = 0.0025641 k( 379) = ( 0.5000000 0.5000000 0.1776697), wk = 0.0025641 k( 380) = ( 0.5000000 0.5000000 0.1887741), wk = 0.0025641 k( 381) = ( 0.5000000 0.5000000 0.1998784), wk = 0.0025641 k( 382) = ( 0.5000000 0.5000000 0.2109828), wk = 0.0025641 k( 383) = ( 0.5000000 0.5000000 0.2220871), wk = 0.0025641 k( 384) = ( 0.5000000 0.5000000 0.2331915), wk = 0.0025641 k( 385) = ( 0.5000000 0.5000000 0.2442959), wk = 0.0025641 k( 386) = ( 0.5000000 0.5000000 0.2554002), wk = 0.0025641 k( 387) = ( 0.5000000 0.5000000 0.2665046), wk = 0.0025641 k( 388) = ( 0.5000000 0.5000000 0.2776089), wk = 0.0025641 k( 389) = ( 0.5000000 0.5000000 0.2887133), wk = 0.0025641 k( 390) = ( 0.5000000 0.5000000 0.2998176), 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 0.3518518), 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 0.1481481), 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: 231179 G-vectors FFT dimensions: ( 72, 72, 108) Smooth grid: 75205 G-vectors FFT dimensions: ( 45, 45, 75) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.26 Mb ( 528, 32) NL pseudopotentials 0.50 Mb ( 264, 124) Each V/rho on FFT grid 0.24 Mb ( 15552) Each G-vector array 0.05 Mb ( 6422) G-vector shells 0.02 Mb ( 2979) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.03 Mb ( 528, 128) Each subspace H/S matrix 0.02 Mb ( 32, 32) Each matrix 0.12 Mb ( 124, 2, 32) The potential is recalculated from file : ./LiBeP.save/charge-density.dat Starting wfc are 56 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.5 secs Computing kpt #: 2 total cpu time spent up to now is 2.9 secs Computing kpt #: 3 total cpu time spent up to now is 3.3 secs Computing kpt #: 4 total cpu time spent up to now is 3.7 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 4.9 secs Computing kpt #: 8 total cpu time spent up to now is 5.5 secs Computing kpt #: 9 total cpu time spent up to now is 6.0 secs Computing kpt #: 10 total cpu time spent up to now is 6.4 secs Computing kpt #: 11 total cpu time spent up to now is 6.9 secs Computing kpt #: 12 total cpu time spent up to now is 7.4 secs Computing kpt #: 13 total cpu time spent up to now is 7.9 secs Computing kpt #: 14 total cpu time spent up to now is 8.5 secs Computing kpt #: 15 total cpu time spent up to now is 9.1 secs Computing kpt #: 16 total cpu time spent up to now is 9.7 secs Computing kpt #: 17 total cpu time spent up to now is 10.3 secs Computing kpt #: 18 total cpu time spent up to now is 10.9 secs Computing kpt #: 19 total cpu time spent up to now is 11.6 secs Computing kpt #: 20 total cpu time spent up to now is 12.2 secs Computing kpt #: 21 total cpu time spent up to now is 12.8 secs Computing kpt #: 22 total cpu time spent up to now is 13.3 secs Computing kpt #: 23 total cpu time spent up to now is 13.8 secs Computing kpt #: 24 total cpu time spent up to now is 14.2 secs Computing kpt #: 25 total cpu time spent up to now is 14.7 secs Computing kpt #: 26 total cpu time spent up to now is 15.1 secs Computing kpt #: 27 total cpu time spent up to now is 15.7 secs Computing kpt #: 28 total cpu time spent up to now is 16.3 secs Computing kpt #: 29 total cpu time spent up to now is 16.8 secs Computing kpt #: 30 total cpu time spent up to now is 17.4 secs Computing kpt #: 31 total cpu time spent up to now is 18.0 secs Computing kpt #: 32 total cpu time spent up to now is 18.6 secs Computing kpt #: 33 total cpu time spent up to now is 19.1 secs Computing kpt #: 34 total cpu time spent up to now is 19.7 secs Computing kpt #: 35 total cpu time spent up to now is 20.3 secs Computing kpt #: 36 total cpu time spent up to now is 20.9 secs Computing kpt #: 37 total cpu time spent up to now is 21.6 secs Computing kpt #: 38 total cpu time spent up to now is 22.3 secs Computing kpt #: 39 total cpu time spent up to now is 23.1 secs Computing kpt #: 40 total cpu time spent up to now is 23.7 secs Computing kpt #: 41 total cpu time spent up to now is 24.5 secs Computing kpt #: 42 total cpu time spent up to now is 24.9 secs Computing kpt #: 43 total cpu time spent up to now is 25.4 secs Computing kpt #: 44 total cpu time spent up to now is 25.9 secs Computing kpt #: 45 total cpu time spent up to now is 26.3 secs Computing kpt #: 46 total cpu time spent up to now is 26.7 secs Computing kpt #: 47 total cpu time spent up to now is 27.1 secs Computing kpt #: 48 total cpu time spent up to now is 27.6 secs Computing kpt #: 49 total cpu time spent up to now is 28.0 secs Computing kpt #: 50 total cpu time spent up to now is 28.5 secs Computing kpt #: 51 total cpu time spent up to now is 28.9 secs Computing kpt #: 52 total cpu time spent up to now is 29.3 secs Computing kpt #: 53 total cpu time spent up to now is 29.7 secs Computing kpt #: 54 total cpu time spent up to now is 30.1 secs Computing kpt #: 55 total cpu time spent up to now is 30.6 secs Computing kpt #: 56 total cpu time spent up to now is 31.0 secs Computing kpt #: 57 total cpu time spent up to now is 31.4 secs Computing kpt #: 58 total cpu time spent up to now is 31.8 secs Computing kpt #: 59 total cpu time spent up to now is 32.4 secs Computing kpt #: 60 total cpu time spent up to now is 33.0 secs Computing kpt #: 61 total cpu time spent up to now is 33.5 secs Computing kpt #: 62 total cpu time spent up to now is 34.0 secs Computing kpt #: 63 total cpu time spent up to now is 34.5 secs Computing kpt #: 64 total cpu time spent up to now is 35.1 secs Computing kpt #: 65 total cpu time spent up to now is 35.5 secs Computing kpt #: 66 total cpu time spent up to now is 35.9 secs Computing kpt #: 67 total cpu time spent up to now is 36.3 secs Computing kpt #: 68 total cpu time spent up to now is 36.7 secs Computing kpt #: 69 total cpu time spent up to now is 37.1 secs Computing kpt #: 70 total cpu time spent up to now is 37.5 secs Computing kpt #: 71 total cpu time spent up to now is 37.8 secs Computing kpt #: 72 total cpu time spent up to now is 38.2 secs Computing kpt #: 73 total cpu time spent up to now is 38.6 secs Computing kpt #: 74 total cpu time spent up to now is 39.0 secs Computing kpt #: 75 total cpu time spent up to now is 39.3 secs Computing kpt #: 76 total cpu time spent up to now is 39.7 secs Computing kpt #: 77 total cpu time spent up to now is 40.1 secs Computing kpt #: 78 total cpu time spent up to now is 40.4 secs Computing kpt #: 79 total cpu time spent up to now is 40.8 secs Computing kpt #: 80 total cpu time spent up to now is 41.1 secs Computing kpt #: 81 total cpu time spent up to now is 41.5 secs Computing kpt #: 82 total cpu time spent up to now is 41.8 secs Computing kpt #: 83 total cpu time spent up to now is 42.2 secs Computing kpt #: 84 total cpu time spent up to now is 42.5 secs Computing kpt #: 85 total cpu time spent up to now is 42.9 secs Computing kpt #: 86 total cpu time spent up to now is 43.2 secs Computing kpt #: 87 total cpu time spent up to now is 43.5 secs Computing kpt #: 88 total cpu time spent up to now is 43.9 secs Computing kpt #: 89 total cpu time spent up to now is 44.2 secs Computing kpt #: 90 total cpu time spent up to now is 44.5 secs Computing kpt #: 91 total cpu time spent up to now is 44.9 secs Computing kpt #: 92 total cpu time spent up to now is 45.2 secs Computing kpt #: 93 total cpu time spent up to now is 45.6 secs Computing kpt #: 94 total cpu time spent up to now is 45.9 secs Computing kpt #: 95 total cpu time spent up to now is 46.2 secs Computing kpt #: 96 total cpu time spent up to now is 46.6 secs Computing kpt #: 97 total cpu time spent up to now is 46.9 secs Computing kpt #: 98 total cpu time spent up to now is 47.3 secs Computing kpt #: 99 total cpu time spent up to now is 47.6 secs Computing kpt #: 100 total cpu time spent up to now is 47.9 secs Computing kpt #: 101 total cpu time spent up to now is 48.3 secs Computing kpt #: 102 total cpu time spent up to now is 48.6 secs Computing kpt #: 103 total cpu time spent up to now is 49.0 secs Computing kpt #: 104 total cpu time spent up to now is 49.3 secs Computing kpt #: 105 total cpu time spent up to now is 49.7 secs Computing kpt #: 106 total cpu time spent up to now is 50.1 secs Computing kpt #: 107 total cpu time spent up to now is 50.4 secs Computing kpt #: 108 total cpu time spent up to now is 50.8 secs Computing kpt #: 109 total cpu time spent up to now is 51.1 secs Computing kpt #: 110 total cpu time spent up to now is 51.5 secs Computing kpt #: 111 total cpu time spent up to now is 51.9 secs Computing kpt #: 112 total cpu time spent up to now is 52.3 secs Computing kpt #: 113 total cpu time spent up to now is 52.6 secs Computing kpt #: 114 total cpu time spent up to now is 53.0 secs Computing kpt #: 115 total cpu time spent up to now is 53.4 secs Computing kpt #: 116 total cpu time spent up to now is 53.8 secs Computing kpt #: 117 total cpu time spent up to now is 54.3 secs Computing kpt #: 118 total cpu time spent up to now is 54.8 secs Computing kpt #: 119 total cpu time spent up to now is 55.3 secs Computing kpt #: 120 total cpu time spent up to now is 55.9 secs Computing kpt #: 121 total cpu time spent up to now is 56.5 secs Computing kpt #: 122 total cpu time spent up to now is 57.0 secs Computing kpt #: 123 total cpu time spent up to now is 57.5 secs Computing kpt #: 124 total cpu time spent up to now is 58.1 secs Computing kpt #: 125 total cpu time spent up to now is 58.5 secs Computing kpt #: 126 total cpu time spent up to now is 58.9 secs Computing kpt #: 127 total cpu time spent up to now is 59.5 secs Computing kpt #: 128 total cpu time spent up to now is 60.2 secs Computing kpt #: 129 total cpu time spent up to now is 60.9 secs Computing kpt #: 130 total cpu time spent up to now is 61.5 secs Computing kpt #: 131 total cpu time spent up to now is 62.1 secs Computing kpt #: 132 total cpu time spent up to now is 62.7 secs Computing kpt #: 133 total cpu time spent up to now is 63.2 secs Computing kpt #: 134 total cpu time spent up to now is 63.8 secs Computing kpt #: 135 total cpu time spent up to now is 64.4 secs Computing kpt #: 136 total cpu time spent up to now is 65.1 secs Computing kpt #: 137 total cpu time spent up to now is 65.7 secs Computing kpt #: 138 total cpu time spent up to now is 66.3 secs Computing kpt #: 139 total cpu time spent up to now is 66.8 secs Computing kpt #: 140 total cpu time spent up to now is 67.3 secs Computing kpt #: 141 total cpu time spent up to now is 67.8 secs Computing kpt #: 142 total cpu time spent up to now is 68.3 secs Computing kpt #: 143 total cpu time spent up to now is 68.7 secs Computing kpt #: 144 total cpu time spent up to now is 69.2 secs Computing kpt #: 145 total cpu time spent up to now is 69.7 secs Computing kpt #: 146 total cpu time spent up to now is 70.1 secs Computing kpt #: 147 total cpu time spent up to now is 70.6 secs Computing kpt #: 148 total cpu time spent up to now is 71.0 secs Computing kpt #: 149 total cpu time spent up to now is 71.4 secs Computing kpt #: 150 total cpu time spent up to now is 71.8 secs Computing kpt #: 151 total cpu time spent up to now is 72.2 secs Computing kpt #: 152 total cpu time spent up to now is 72.6 secs Computing kpt #: 153 total cpu time spent up to now is 73.0 secs Computing kpt #: 154 total cpu time spent up to now is 73.4 secs Computing kpt #: 155 total cpu time spent up to now is 73.8 secs Computing kpt #: 156 total cpu time spent up to now is 74.2 secs Computing kpt #: 157 total cpu time spent up to now is 74.5 secs Computing kpt #: 158 total cpu time spent up to now is 74.9 secs Computing kpt #: 159 total cpu time spent up to now is 75.3 secs Computing kpt #: 160 total cpu time spent up to now is 75.7 secs Computing kpt #: 161 total cpu time spent up to now is 76.2 secs Computing kpt #: 162 total cpu time spent up to now is 76.7 secs Computing kpt #: 163 total cpu time spent up to now is 77.3 secs Computing kpt #: 164 total cpu time spent up to now is 77.9 secs Computing kpt #: 165 total cpu time spent up to now is 78.6 secs Computing kpt #: 166 total cpu time spent up to now is 79.2 secs Computing kpt #: 167 total cpu time spent up to now is 80.0 secs Computing kpt #: 168 total cpu time spent up to now is 80.7 secs Computing kpt #: 169 total cpu time spent up to now is 81.5 secs Computing kpt #: 170 total cpu time spent up to now is 82.2 secs Computing kpt #: 171 total cpu time spent up to now is 83.0 secs Computing kpt #: 172 total cpu time spent up to now is 83.6 secs Computing kpt #: 173 total cpu time spent up to now is 84.1 secs Computing kpt #: 174 total cpu time spent up to now is 84.7 secs Computing kpt #: 175 total cpu time spent up to now is 85.2 secs Computing kpt #: 176 total cpu time spent up to now is 85.6 secs Computing kpt #: 177 total cpu time spent up to now is 86.1 secs Computing kpt #: 178 total cpu time spent up to now is 86.6 secs Computing kpt #: 179 total cpu time spent up to now is 87.0 secs Computing kpt #: 180 total cpu time spent up to now is 87.4 secs Computing kpt #: 181 total cpu time spent up to now is 87.8 secs Computing kpt #: 182 total cpu time spent up to now is 88.3 secs Computing kpt #: 183 total cpu time spent up to now is 88.7 secs Computing kpt #: 184 total cpu time spent up to now is 89.2 secs Computing kpt #: 185 total cpu time spent up to now is 89.6 secs Computing kpt #: 186 total cpu time spent up to now is 90.1 secs Computing kpt #: 187 total cpu time spent up to now is 90.7 secs Computing kpt #: 188 total cpu time spent up to now is 91.2 secs Computing kpt #: 189 total cpu time spent up to now is 91.7 secs Computing kpt #: 190 total cpu time spent up to now is 92.1 secs Computing kpt #: 191 total cpu time spent up to now is 92.5 secs Computing kpt #: 192 total cpu time spent up to now is 92.9 secs Computing kpt #: 193 total cpu time spent up to now is 93.3 secs Computing kpt #: 194 total cpu time spent up to now is 93.7 secs Computing kpt #: 195 total cpu time spent up to now is 94.1 secs Computing kpt #: 196 total cpu time spent up to now is 94.5 secs Computing kpt #: 197 total cpu time spent up to now is 94.9 secs Computing kpt #: 198 total cpu time spent up to now is 95.4 secs Computing kpt #: 199 total cpu time spent up to now is 95.9 secs Computing kpt #: 200 total cpu time spent up to now is 96.4 secs Computing kpt #: 201 total cpu time spent up to now is 97.0 secs Computing kpt #: 202 total cpu time spent up to now is 97.5 secs Computing kpt #: 203 total cpu time spent up to now is 98.0 secs Computing kpt #: 204 total cpu time spent up to now is 98.5 secs Computing kpt #: 205 total cpu time spent up to now is 99.0 secs Computing kpt #: 206 total cpu time spent up to now is 99.4 secs Computing kpt #: 207 total cpu time spent up to now is 99.8 secs Computing kpt #: 208 total cpu time spent up to now is 100.3 secs Computing kpt #: 209 total cpu time spent up to now is 100.8 secs Computing kpt #: 210 total cpu time spent up to now is 101.2 secs Computing kpt #: 211 total cpu time spent up to now is 101.7 secs Computing kpt #: 212 total cpu time spent up to now is 102.1 secs Computing kpt #: 213 total cpu time spent up to now is 102.5 secs Computing kpt #: 214 total cpu time spent up to now is 103.0 secs Computing kpt #: 215 total cpu time spent up to now is 103.4 secs Computing kpt #: 216 total cpu time spent up to now is 103.8 secs Computing kpt #: 217 total cpu time spent up to now is 104.2 secs Computing kpt #: 218 total cpu time spent up to now is 104.6 secs Computing kpt #: 219 total cpu time spent up to now is 105.0 secs Computing kpt #: 220 total cpu time spent up to now is 105.4 secs Computing kpt #: 221 total cpu time spent up to now is 105.8 secs Computing kpt #: 222 total cpu time spent up to now is 106.2 secs Computing kpt #: 223 total cpu time spent up to now is 106.6 secs Computing kpt #: 224 total cpu time spent up to now is 107.0 secs Computing kpt #: 225 total cpu time spent up to now is 107.4 secs Computing kpt #: 226 total cpu time spent up to now is 107.8 secs Computing kpt #: 227 total cpu time spent up to now is 108.2 secs Computing kpt #: 228 total cpu time spent up to now is 108.6 secs Computing kpt #: 229 total cpu time spent up to now is 109.0 secs Computing kpt #: 230 total cpu time spent up to now is 109.5 secs Computing kpt #: 231 total cpu time spent up to now is 109.9 secs Computing kpt #: 232 total cpu time spent up to now is 110.3 secs Computing kpt #: 233 total cpu time spent up to now is 110.7 secs Computing kpt #: 234 total cpu time spent up to now is 111.2 secs Computing kpt #: 235 total cpu time spent up to now is 111.6 secs Computing kpt #: 236 total cpu time spent up to now is 112.1 secs Computing kpt #: 237 total cpu time spent up to now is 112.7 secs Computing kpt #: 238 total cpu time spent up to now is 113.3 secs Computing kpt #: 239 total cpu time spent up to now is 113.8 secs Computing kpt #: 240 total cpu time spent up to now is 114.3 secs Computing kpt #: 241 total cpu time spent up to now is 114.8 secs Computing kpt #: 242 total cpu time spent up to now is 115.2 secs Computing kpt #: 243 total cpu time spent up to now is 115.6 secs Computing kpt #: 244 total cpu time spent up to now is 116.1 secs Computing kpt #: 245 total cpu time spent up to now is 116.5 secs Computing kpt #: 246 total cpu time spent up to now is 116.9 secs Computing kpt #: 247 total cpu time spent up to now is 117.3 secs Computing kpt #: 248 total cpu time spent up to now is 117.7 secs Computing kpt #: 249 total cpu time spent up to now is 118.1 secs Computing kpt #: 250 total cpu time spent up to now is 118.5 secs Computing kpt #: 251 total cpu time spent up to now is 118.9 secs Computing kpt #: 252 total cpu time spent up to now is 119.3 secs Computing kpt #: 253 total cpu time spent up to now is 119.7 secs Computing kpt #: 254 total cpu time spent up to now is 120.1 secs Computing kpt #: 255 total cpu time spent up to now is 120.6 secs Computing kpt #: 256 total cpu time spent up to now is 121.0 secs Computing kpt #: 257 total cpu time spent up to now is 121.4 secs Computing kpt #: 258 total cpu time spent up to now is 121.8 secs Computing kpt #: 259 total cpu time spent up to now is 122.2 secs Computing kpt #: 260 total cpu time spent up to now is 122.6 secs Computing kpt #: 261 total cpu time spent up to now is 123.0 secs Computing kpt #: 262 total cpu time spent up to now is 123.5 secs Computing kpt #: 263 total cpu time spent up to now is 123.9 secs Computing kpt #: 264 total cpu time spent up to now is 124.4 secs Computing kpt #: 265 total cpu time spent up to now is 124.8 secs Computing kpt #: 266 total cpu time spent up to now is 125.2 secs Computing kpt #: 267 total cpu time spent up to now is 125.7 secs Computing kpt #: 268 total cpu time spent up to now is 126.1 secs Computing kpt #: 269 total cpu time spent up to now is 126.5 secs Computing kpt #: 270 total cpu time spent up to now is 127.0 secs Computing kpt #: 271 total cpu time spent up to now is 127.4 secs Computing kpt #: 272 total cpu time spent up to now is 127.8 secs Computing kpt #: 273 total cpu time spent up to now is 128.2 secs Computing kpt #: 274 total cpu time spent up to now is 128.7 secs Computing kpt #: 275 total cpu time spent up to now is 129.1 secs Computing kpt #: 276 total cpu time spent up to now is 129.5 secs Computing kpt #: 277 total cpu time spent up to now is 130.0 secs Computing kpt #: 278 total cpu time spent up to now is 130.4 secs Computing kpt #: 279 total cpu time spent up to now is 130.9 secs Computing kpt #: 280 total cpu time spent up to now is 131.3 secs Computing kpt #: 281 total cpu time spent up to now is 131.8 secs Computing kpt #: 282 total cpu time spent up to now is 132.3 secs Computing kpt #: 283 total cpu time spent up to now is 132.7 secs Computing kpt #: 284 total cpu time spent up to now is 133.2 secs Computing kpt #: 285 total cpu time spent up to now is 133.6 secs Computing kpt #: 286 total cpu time spent up to now is 134.1 secs Computing kpt #: 287 total cpu time spent up to now is 134.5 secs Computing kpt #: 288 total cpu time spent up to now is 135.0 secs Computing kpt #: 289 total cpu time spent up to now is 135.4 secs Computing kpt #: 290 total cpu time spent up to now is 135.9 secs Computing kpt #: 291 total cpu time spent up to now is 136.3 secs Computing kpt #: 292 total cpu time spent up to now is 136.8 secs Computing kpt #: 293 total cpu time spent up to now is 137.2 secs Computing kpt #: 294 total cpu time spent up to now is 137.7 secs Computing kpt #: 295 total cpu time spent up to now is 138.1 secs Computing kpt #: 296 total cpu time spent up to now is 138.6 secs Computing kpt #: 297 total cpu time spent up to now is 139.1 secs Computing kpt #: 298 total cpu time spent up to now is 139.6 secs Computing kpt #: 299 total cpu time spent up to now is 140.2 secs Computing kpt #: 300 total cpu time spent up to now is 140.7 secs Computing kpt #: 301 total cpu time spent up to now is 141.3 secs Computing kpt #: 302 total cpu time spent up to now is 141.8 secs Computing kpt #: 303 total cpu time spent up to now is 142.6 secs Computing kpt #: 304 total cpu time spent up to now is 143.4 secs Computing kpt #: 305 total cpu time spent up to now is 144.0 secs Computing kpt #: 306 total cpu time spent up to now is 144.6 secs Computing kpt #: 307 total cpu time spent up to now is 145.1 secs Computing kpt #: 308 total cpu time spent up to now is 145.6 secs Computing kpt #: 309 total cpu time spent up to now is 146.1 secs Computing kpt #: 310 total cpu time spent up to now is 146.7 secs Computing kpt #: 311 total cpu time spent up to now is 147.2 secs Computing kpt #: 312 total cpu time spent up to now is 147.8 secs Computing kpt #: 313 total cpu time spent up to now is 148.4 secs Computing kpt #: 314 total cpu time spent up to now is 148.9 secs Computing kpt #: 315 total cpu time spent up to now is 149.5 secs Computing kpt #: 316 total cpu time spent up to now is 149.9 secs Computing kpt #: 317 total cpu time spent up to now is 150.3 secs Computing kpt #: 318 total cpu time spent up to now is 150.7 secs Computing kpt #: 319 total cpu time spent up to now is 151.2 secs Computing kpt #: 320 total cpu time spent up to now is 151.6 secs Computing kpt #: 321 total cpu time spent up to now is 152.0 secs Computing kpt #: 322 total cpu time spent up to now is 152.4 secs Computing kpt #: 323 total cpu time spent up to now is 152.8 secs Computing kpt #: 324 total cpu time spent up to now is 153.2 secs Computing kpt #: 325 total cpu time spent up to now is 153.6 secs Computing kpt #: 326 total cpu time spent up to now is 154.1 secs Computing kpt #: 327 total cpu time spent up to now is 154.6 secs Computing kpt #: 328 total cpu time spent up to now is 155.2 secs Computing kpt #: 329 total cpu time spent up to now is 155.7 secs Computing kpt #: 330 total cpu time spent up to now is 156.1 secs Computing kpt #: 331 total cpu time spent up to now is 156.6 secs Computing kpt #: 332 total cpu time spent up to now is 157.0 secs Computing kpt #: 333 total cpu time spent up to now is 157.4 secs Computing kpt #: 334 total cpu time spent up to now is 157.8 secs Computing kpt #: 335 total cpu time spent up to now is 158.3 secs Computing kpt #: 336 total cpu time spent up to now is 158.7 secs Computing kpt #: 337 total cpu time spent up to now is 159.1 secs Computing kpt #: 338 total cpu time spent up to now is 159.6 secs Computing kpt #: 339 total cpu time spent up to now is 160.1 secs Computing kpt #: 340 total cpu time spent up to now is 160.6 secs Computing kpt #: 341 total cpu time spent up to now is 161.3 secs Computing kpt #: 342 total cpu time spent up to now is 161.9 secs Computing kpt #: 343 total cpu time spent up to now is 162.5 secs Computing kpt #: 344 total cpu time spent up to now is 162.9 secs Computing kpt #: 345 total cpu time spent up to now is 163.4 secs Computing kpt #: 346 total cpu time spent up to now is 163.8 secs Computing kpt #: 347 total cpu time spent up to now is 164.2 secs Computing kpt #: 348 total cpu time spent up to now is 164.6 secs Computing kpt #: 349 total cpu time spent up to now is 165.0 secs Computing kpt #: 350 total cpu time spent up to now is 165.4 secs Computing kpt #: 351 total cpu time spent up to now is 165.8 secs Computing kpt #: 352 total cpu time spent up to now is 166.2 secs Computing kpt #: 353 total cpu time spent up to now is 166.7 secs Computing kpt #: 354 total cpu time spent up to now is 167.0 secs Computing kpt #: 355 total cpu time spent up to now is 167.4 secs Computing kpt #: 356 total cpu time spent up to now is 167.8 secs Computing kpt #: 357 total cpu time spent up to now is 168.2 secs Computing kpt #: 358 total cpu time spent up to now is 168.6 secs Computing kpt #: 359 total cpu time spent up to now is 169.0 secs Computing kpt #: 360 total cpu time spent up to now is 169.4 secs Computing kpt #: 361 total cpu time spent up to now is 169.8 secs Computing kpt #: 362 total cpu time spent up to now is 170.2 secs Computing kpt #: 363 total cpu time spent up to now is 170.6 secs Computing kpt #: 364 total cpu time spent up to now is 170.9 secs Computing kpt #: 365 total cpu time spent up to now is 171.2 secs Computing kpt #: 366 total cpu time spent up to now is 171.6 secs Computing kpt #: 367 total cpu time spent up to now is 171.9 secs Computing kpt #: 368 total cpu time spent up to now is 172.2 secs Computing kpt #: 369 total cpu time spent up to now is 172.6 secs Computing kpt #: 370 total cpu time spent up to now is 172.9 secs Computing kpt #: 371 total cpu time spent up to now is 173.2 secs Computing kpt #: 372 total cpu time spent up to now is 173.6 secs Computing kpt #: 373 total cpu time spent up to now is 173.9 secs Computing kpt #: 374 total cpu time spent up to now is 174.3 secs Computing kpt #: 375 total cpu time spent up to now is 174.6 secs Computing kpt #: 376 total cpu time spent up to now is 175.0 secs Computing kpt #: 377 total cpu time spent up to now is 175.3 secs Computing kpt #: 378 total cpu time spent up to now is 175.7 secs Computing kpt #: 379 total cpu time spent up to now is 176.0 secs Computing kpt #: 380 total cpu time spent up to now is 176.4 secs Computing kpt #: 381 total cpu time spent up to now is 176.8 secs Computing kpt #: 382 total cpu time spent up to now is 177.1 secs Computing kpt #: 383 total cpu time spent up to now is 177.5 secs Computing kpt #: 384 total cpu time spent up to now is 177.9 secs Computing kpt #: 385 total cpu time spent up to now is 178.3 secs Computing kpt #: 386 total cpu time spent up to now is 178.6 secs Computing kpt #: 387 total cpu time spent up to now is 179.0 secs Computing kpt #: 388 total cpu time spent up to now is 179.4 secs Computing kpt #: 389 total cpu time spent up to now is 179.9 secs Computing kpt #: 390 total cpu time spent up to now is 180.3 secs ethr = 4.17E-08, avg # of iterations = 19.3 total cpu time spent up to now is 180.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 9389 PWs) bands (ev): -94.5177 -94.5177 -94.5149 -94.5149 -40.2670 -40.2670 -40.2594 -40.2594 -6.3147 -6.3147 -4.2658 -4.2658 0.7628 0.7628 2.7632 2.7632 2.7840 2.7840 5.3761 5.3761 5.8417 5.8417 5.8804 5.8804 7.5560 7.5560 8.2778 8.2778 9.0371 9.0371 10.0433 10.0433 k = 0.0000 0.0114-0.0000 ( 9411 PWs) bands (ev): -94.5177 -94.5177 -94.5149 -94.5149 -40.2671 -40.2671 -40.2594 -40.2594 -6.3137 -6.3137 -4.2654 -4.2654 0.7636 0.7636 2.7589 2.7589 2.7816 2.7816 5.3771 5.3771 5.8359 5.8359 5.8759 5.8759 7.5604 7.5604 8.2816 8.2816 9.0445 9.0445 10.0471 10.0471 k = 0.0000 0.0227-0.0000 ( 9403 PWs) bands (ev): -94.5177 -94.5177 -94.5149 -94.5149 -40.2670 -40.2670 -40.2594 -40.2594 -6.3107 -6.3107 -4.2641 -4.2641 0.7661 0.7661 2.7395 2.7395 2.7811 2.7811 5.3799 5.3799 5.8123 5.8123 5.8692 5.8692 7.5737 7.5737 8.2939 8.2939 9.0660 9.0660 10.0585 10.0585 k = 0.0000 0.0341-0.0000 ( 9403 PWs) bands (ev): -94.5177 -94.5177 -94.5149 -94.5149 -40.2670 -40.2670 -40.2594 -40.2594 -6.3057 -6.3057 -4.2619 -4.2619 0.7701 0.7701 2.7029 2.7029 2.7855 2.7855 5.3837 5.3837 5.7658 5.7658 5.8665 5.8665 7.5950 7.5950 8.3149 8.3149 9.0999 9.0999 10.0778 10.0778 k = 0.0000 0.0455-0.0000 ( 9402 PWs) bands (ev): -94.5177 -94.5177 -94.5149 -94.5149 -40.2670 -40.2670 -40.2595 -40.2595 -6.2987 -6.2987 -4.2589 -4.2589 0.7756 0.7756 2.6517 2.6517 2.7933 2.7933 5.3876 5.3876 5.7000 5.7000 5.8662 5.8662 7.6233 7.6233 8.3457 8.3457 9.1436 9.1436 10.1055 10.1055 k = 0.0000 0.0568-0.0000 ( 9410 PWs) bands (ev): -94.5177 -94.5177 -94.5149 -94.5149 -40.2670 -40.2670 -40.2595 -40.2595 -6.2898 -6.2898 -4.2551 -4.2551 0.7828 0.7828 2.5882 2.5882 2.8036 2.8036 5.3902 5.3902 5.6183 5.6183 5.8670 5.8670 7.6570 7.6570 8.3875 8.3875 9.1939 9.1939 10.1418 10.1418 k = 0.0000 0.0682-0.0000 ( 9398 PWs) bands (ev): -94.5176 -94.5176 -94.5149 -94.5149 -40.2669 -40.2669 -40.2595 -40.2595 -6.2789 -6.2789 -4.2505 -4.2505 0.7915 0.7915 2.5140 2.5140 2.8165 2.8165 5.3899 5.3899 5.5240 5.5240 5.8684 5.8684 7.6945 7.6945 8.4415 8.4415 9.2476 9.2476 10.1869 10.1869 k = 0.0000 0.0795-0.0000 ( 9410 PWs) bands (ev): -94.5176 -94.5176 -94.5149 -94.5149 -40.2669 -40.2669 -40.2595 -40.2595 -6.2660 -6.2660 -4.2452 -4.2452 0.8016 0.8016 2.4309 2.4309 2.8317 2.8317 5.3804 5.3804 5.4247 5.4247 5.8702 5.8702 7.7338 7.7338 8.5091 8.5091 9.3018 9.3018 10.1943 10.1943 k = 0.0000 0.0909-0.0000 ( 9402 PWs) bands (ev): -94.5176 -94.5176 -94.5149 -94.5149 -40.2668 -40.2668 -40.2595 -40.2595 -6.2511 -6.2511 -4.2393 -4.2393 0.8133 0.8133 2.3405 2.3405 2.8494 2.8494 5.2967 5.2967 5.3869 5.3869 5.8720 5.8720 7.7734 7.7734 8.5910 8.5910 9.3542 9.3542 10.1921 10.1921 k = 0.0000 0.1023-0.0000 ( 9402 PWs) bands (ev): -94.5176 -94.5176 -94.5149 -94.5149 -40.2668 -40.2668 -40.2595 -40.2595 -6.2344 -6.2344 -4.2327 -4.2327 0.8264 0.8264 2.2441 2.2441 2.8693 2.8693 5.1771 5.1771 5.3732 5.3732 5.8740 5.8740 7.8122 7.8122 8.6874 8.6874 9.4031 9.4031 10.1915 10.1915 k = 0.0000 0.1136-0.0000 ( 9404 PWs) bands (ev): -94.5176 -94.5176 -94.5150 -94.5150 -40.2667 -40.2667 -40.2596 -40.2596 -6.2156 -6.2156 -4.2257 -4.2257 0.8408 0.8408 2.1433 2.1433 2.8916 2.8916 5.0507 5.0507 5.3559 5.3559 5.8758 5.8758 7.8494 7.8494 8.7976 8.7976 9.4479 9.4479 10.1932 10.1932 k = 0.0000 0.1250-0.0000 ( 9404 PWs) bands (ev): -94.5176 -94.5176 -94.5150 -94.5150 -40.2666 -40.2666 -40.2596 -40.2596 -6.1950 -6.1950 -4.2183 -4.2183 0.8566 0.8566 2.0392 2.0392 2.9163 2.9163 4.9201 4.9201 5.3335 5.3335 5.8774 5.8774 7.8850 7.8850 8.9203 8.9203 9.4883 9.4883 10.1982 10.1982 k = 0.0000 0.1364-0.0000 ( 9396 PWs) bands (ev): -94.5176 -94.5176 -94.5150 -94.5150 -40.2665 -40.2665 -40.2596 -40.2596 -6.1724 -6.1724 -4.2105 -4.2105 0.8735 0.8735 1.9329 1.9329 2.9432 2.9432 4.7868 4.7868 5.3058 5.3058 5.8786 5.8786 7.9192 7.9192 9.0534 9.0534 9.5245 9.5245 10.2079 10.2079 k = 0.0000 0.1477-0.0000 ( 9392 PWs) bands (ev): -94.5175 -94.5175 -94.5150 -94.5150 -40.2665 -40.2665 -40.2596 -40.2596 -6.1479 -6.1479 -4.2026 -4.2026 0.8916 0.8916 1.8253 1.8253 2.9723 2.9723 4.6516 4.6516 5.2728 5.2728 5.8793 5.8793 7.9523 7.9523 9.1942 9.1942 9.5569 9.5569 10.2242 10.2242 k = 0.0000 0.1591-0.0000 ( 9402 PWs) bands (ev): -94.5175 -94.5175 -94.5150 -94.5150 -40.2664 -40.2664 -40.2597 -40.2597 -6.1217 -6.1217 -4.1946 -4.1946 0.9107 0.9107 1.7173 1.7173 3.0038 3.0038 4.5157 4.5157 5.2347 5.2347 5.8792 5.8792 7.9847 7.9847 9.3387 9.3387 9.5859 9.5859 10.2499 10.2499 k = 0.0000 0.1705-0.0000 ( 9398 PWs) bands (ev): -94.5175 -94.5175 -94.5151 -94.5151 -40.2663 -40.2663 -40.2597 -40.2597 -6.0935 -6.0935 -4.1867 -4.1867 0.9306 0.9306 1.6098 1.6098 3.0375 3.0375 4.3797 4.3797 5.1916 5.1916 5.8783 5.8783 8.0168 8.0168 9.4818 9.4818 9.6120 9.6120 10.2894 10.2894 k = 0.0000 0.1818-0.0000 ( 9402 PWs) bands (ev): -94.5175 -94.5175 -94.5151 -94.5151 -40.2662 -40.2662 -40.2598 -40.2598 -6.0636 -6.0636 -4.1790 -4.1790 0.9513 0.9513 1.5033 1.5033 3.0734 3.0734 4.2444 4.2444 5.1440 5.1440 5.8763 5.8763 8.0490 8.0490 9.6162 9.6162 9.6353 9.6353 10.3492 10.3492 k = 0.0000 0.1932-0.0000 ( 9402 PWs) bands (ev): -94.5174 -94.5174 -94.5151 -94.5151 -40.2661 -40.2661 -40.2598 -40.2598 -6.0318 -6.0318 -4.1717 -4.1717 0.9725 0.9725 1.3985 1.3985 3.1114 3.1114 4.1105 4.1105 5.0920 5.0920 5.8731 5.8731 8.0816 8.0816 9.6562 9.6562 9.7340 9.7340 10.4363 10.4363 k = 0.0000 0.2045-0.0000 ( 9398 PWs) bands (ev): -94.5174 -94.5174 -94.5151 -94.5151 -40.2659 -40.2659 -40.2599 -40.2599 -5.9983 -5.9983 -4.1650 -4.1650 0.9939 0.9939 1.2960 1.2960 3.1517 3.1517 3.9786 3.9786 5.0359 5.0359 5.8683 5.8683 8.1147 8.1147 9.6747 9.6747 9.8295 9.8295 10.5556 10.5556 k = 0.0000 0.2159-0.0000 ( 9404 PWs) bands (ev): -94.5174 -94.5174 -94.5152 -94.5152 -40.2658 -40.2658 -40.2599 -40.2599 -5.9631 -5.9631 -4.1590 -4.1590 1.0154 1.0154 1.1963 1.1963 3.1941 3.1941 3.8493 3.8493 4.9763 4.9763 5.8618 5.8618 8.1485 8.1485 9.6908 9.6908 9.9031 9.9031 10.6363 10.6363 k = 0.0000 0.2273-0.0000 ( 9386 PWs) bands (ev): -94.5173 -94.5173 -94.5152 -94.5152 -40.2657 -40.2657 -40.2600 -40.2600 -5.9261 -5.9261 -4.1540 -4.1540 1.0361 1.0361 1.1003 1.1003 3.2385 3.2385 3.7232 3.7232 4.9132 4.9132 5.8533 5.8533 8.1831 8.1831 9.7046 9.7046 9.9601 9.9601 10.6787 10.6787 k = 0.0000 0.2386-0.0000 ( 9390 PWs) bands (ev): -94.5173 -94.5173 -94.5152 -94.5152 -40.2656 -40.2656 -40.2600 -40.2600 -5.8875 -5.8875 -4.1502 -4.1502 1.0059 1.0059 1.0584 1.0584 3.2851 3.2851 3.6010 3.6010 4.8472 4.8472 5.8427 5.8427 8.2187 8.2187 9.7158 9.7158 10.0063 10.0063 10.7222 10.7222 k = 0.0000 0.2500-0.0000 ( 9388 PWs) bands (ev): -94.5173 -94.5173 -94.5153 -94.5153 -40.2654 -40.2654 -40.2601 -40.2601 -5.8473 -5.8473 -4.1476 -4.1476 0.9180 0.9180 1.0773 1.0773 3.3336 3.3336 3.4833 3.4833 4.7784 4.7784 5.8296 5.8296 8.2552 8.2552 9.7245 9.7245 10.0463 10.0463 10.7665 10.7665 k = 0.0000 0.2614-0.0000 ( 9400 PWs) bands (ev): -94.5172 -94.5172 -94.5153 -94.5153 -40.2653 -40.2653 -40.2601 -40.2601 -5.8056 -5.8056 -4.1467 -4.1467 0.8341 0.8341 1.0950 1.0950 3.3700 3.3700 3.3851 3.3851 4.7073 4.7073 5.8140 5.8140 8.2928 8.2928 9.7303 9.7303 10.0834 10.0834 10.8113 10.8113 k = 0.0000 0.2727-0.0000 ( 9400 PWs) bands (ev): -94.5172 -94.5172 -94.5154 -94.5154 -40.2652 -40.2652 -40.2602 -40.2602 -5.7623 -5.7623 -4.1476 -4.1476 0.7551 0.7551 1.1106 1.1106 3.2645 3.2645 3.4369 3.4369 4.6340 4.6340 5.7954 5.7954 8.3313 8.3313 9.7333 9.7333 10.1194 10.1194 10.8562 10.8562 k = 0.0000 0.2841-0.0000 ( 9404 PWs) bands (ev): -94.5172 -94.5172 -94.5154 -94.5154 -40.2650 -40.2650 -40.2603 -40.2603 -5.7177 -5.7177 -4.1504 -4.1504 0.6813 0.6813 1.1232 1.1232 3.1652 3.1652 3.4912 3.4912 4.5590 4.5590 5.7739 5.7739 8.3708 8.3708 9.7333 9.7333 10.1556 10.1556 10.9007 10.9007 k = 0.0000 0.2955-0.0000 ( 9402 PWs) bands (ev): -94.5171 -94.5171 -94.5154 -94.5154 -40.2649 -40.2649 -40.2604 -40.2604 -5.6715 -5.6715 -4.1555 -4.1555 0.6132 0.6132 1.1321 1.1321 3.0738 3.0738 3.5475 3.5475 4.4824 4.4824 5.7491 5.7491 8.4112 8.4112 9.7301 9.7301 10.1927 10.1927 10.8377 10.8377 k = 0.0000 0.3068-0.0000 ( 9402 PWs) bands (ev): -94.5171 -94.5171 -94.5155 -94.5155 -40.2648 -40.2648 -40.2604 -40.2604 -5.6241 -5.6241 -4.1629 -4.1629 0.5509 0.5509 1.1364 1.1364 2.9913 2.9913 3.6055 3.6055 4.4046 4.4046 5.7210 5.7210 8.4525 8.4525 9.7237 9.7237 10.2313 10.2313 10.7720 10.7720 k = 0.0000 0.3182-0.0000 ( 9402 PWs) bands (ev): -94.5170 -94.5170 -94.5155 -94.5155 -40.2646 -40.2646 -40.2605 -40.2605 -5.5754 -5.5754 -4.1730 -4.1730 0.4948 0.4948 1.1354 1.1354 2.9186 2.9186 3.6652 3.6652 4.3257 4.3257 5.6895 5.6895 8.4946 8.4946 9.7141 9.7141 10.2717 10.2717 10.7142 10.7142 k = 0.0000 0.3295-0.0000 ( 9398 PWs) bands (ev): -94.5170 -94.5170 -94.5156 -94.5156 -40.2645 -40.2645 -40.2606 -40.2606 -5.5256 -5.5256 -4.1857 -4.1857 0.4451 0.4451 1.1282 1.1282 2.8566 2.8566 3.7266 3.7266 4.2461 4.2461 5.6545 5.6545 8.5376 8.5376 9.7013 9.7013 10.3142 10.3142 10.6642 10.6642 k = 0.0000 0.3409-0.0000 ( 9394 PWs) bands (ev): -94.5169 -94.5169 -94.5156 -94.5156 -40.2643 -40.2643 -40.2607 -40.2607 -5.4746 -5.4746 -4.2013 -4.2013 0.4020 0.4020 1.1143 1.1143 2.8061 2.8061 3.7896 3.7896 4.1660 4.1660 5.6159 5.6159 8.5812 8.5812 9.6853 9.6853 10.3589 10.3589 10.6222 10.6222 k = 0.0000 0.3523-0.0000 ( 9390 PWs) bands (ev): -94.5169 -94.5169 -94.5156 -94.5156 -40.2642 -40.2642 -40.2608 -40.2608 -5.4227 -5.4227 -4.2199 -4.2199 0.3656 0.3656 1.0934 1.0934 2.7676 2.7676 3.8540 3.8540 4.0857 4.0857 5.5739 5.5739 8.6254 8.6254 9.6662 9.6662 10.4058 10.4058 10.5880 10.5880 k = 0.0000 0.3636-0.0000 ( 9386 PWs) bands (ev): -94.5169 -94.5169 -94.5157 -94.5157 -40.2640 -40.2640 -40.2609 -40.2609 -5.3698 -5.3698 -4.2415 -4.2415 0.3359 0.3359 1.0654 1.0654 2.7410 2.7410 3.9197 3.9197 4.0054 4.0054 5.5283 5.5283 8.6702 8.6702 9.6442 9.6442 10.4551 10.4551 10.5617 10.5617 k = 0.0000 0.3750-0.0000 ( 9382 PWs) bands (ev): -94.5168 -94.5168 -94.5157 -94.5157 -40.2639 -40.2639 -40.2610 -40.2610 -5.3162 -5.3162 -4.2661 -4.2661 0.3131 0.3131 1.0308 1.0308 2.7263 2.7263 3.9243 3.9243 3.9877 3.9877 5.4795 5.4795 8.7155 8.7155 9.6195 9.6195 10.5064 10.5064 10.5434 10.5434 k = 0.0000 0.3864-0.0000 ( 9386 PWs) bands (ev): -94.5168 -94.5168 -94.5158 -94.5158 -40.2637 -40.2637 -40.2611 -40.2611 -5.2619 -5.2619 -4.2938 -4.2938 0.2971 0.2971 0.9901 0.9901 2.7228 2.7228 3.8446 3.8446 4.0558 4.0558 5.4274 5.4274 8.7611 8.7611 9.5921 9.5921 10.5311 10.5311 10.5614 10.5614 k = 0.0000 0.3977-0.0000 ( 9378 PWs) bands (ev): -94.5167 -94.5167 -94.5158 -94.5158 -40.2636 -40.2636 -40.2612 -40.2612 -5.2070 -5.2070 -4.3245 -4.3245 0.2880 0.2880 0.9444 0.9444 2.7297 2.7297 3.7652 3.7652 4.1253 4.1253 5.3723 5.3723 8.8070 8.8070 9.5623 9.5623 10.5276 10.5276 10.6170 10.6170 k = 0.0000 0.4091-0.0000 ( 9384 PWs) bands (ev): -94.5167 -94.5167 -94.5159 -94.5159 -40.2634 -40.2634 -40.2613 -40.2613 -5.1518 -5.1518 -4.3581 -4.3581 0.2855 0.2855 0.8947 0.8947 2.7461 2.7461 3.6866 3.6866 4.1957 4.1957 5.3143 5.3143 8.8531 8.8531 9.5304 9.5304 10.5307 10.5307 10.6750 10.6750 k = 0.0000 0.4205-0.0000 ( 9392 PWs) bands (ev): -94.5166 -94.5166 -94.5159 -94.5159 -40.2633 -40.2633 -40.2614 -40.2614 -5.0962 -5.0962 -4.3946 -4.3946 0.2896 0.2896 0.8422 0.8422 2.7709 2.7709 3.6088 3.6088 4.2671 4.2671 5.2536 5.2536 8.8992 8.8992 9.4964 9.4964 10.5405 10.5405 10.7347 10.7347 k = 0.0000 0.4318-0.0000 ( 9388 PWs) bands (ev): -94.5166 -94.5166 -94.5160 -94.5160 -40.2631 -40.2631 -40.2615 -40.2615 -5.0406 -5.0406 -4.4337 -4.4337 0.2999 0.2999 0.7880 0.7880 2.8032 2.8032 3.5323 3.5323 4.3391 4.3391 5.1906 5.1906 8.9454 8.9454 9.4606 9.4606 10.5566 10.5566 10.7961 10.7961 k = 0.0000 0.4432-0.0000 ( 9390 PWs) bands (ev): -94.5165 -94.5165 -94.5160 -94.5160 -40.2630 -40.2630 -40.2616 -40.2616 -4.9850 -4.9850 -4.4754 -4.4754 0.3164 0.3164 0.7331 0.7331 2.8422 2.8422 3.4571 3.4571 4.4117 4.4117 5.1255 5.1255 8.9915 8.9915 9.4231 9.4231 10.5786 10.5786 10.8586 10.8586 k = 0.0000 0.4545-0.0000 ( 9394 PWs) bands (ev): -94.5165 -94.5165 -94.5161 -94.5161 -40.2628 -40.2628 -40.2618 -40.2618 -4.9296 -4.9296 -4.5193 -4.5193 0.3387 0.3387 0.6785 0.6785 2.8868 2.8868 3.3836 3.3836 4.4847 4.4847 5.0585 5.0585 9.0373 9.0373 9.3841 9.3841 10.6061 10.6061 10.9218 10.9218 k = 0.0000 0.4659-0.0000 ( 9402 PWs) bands (ev): -94.5164 -94.5164 -94.5161 -94.5161 -40.2627 -40.2627 -40.2619 -40.2619 -4.8747 -4.8747 -4.5654 -4.5654 0.3665 0.3665 0.6250 0.6250 2.9366 2.9366 3.3118 3.3118 4.5578 4.5578 4.9898 4.9898 9.0829 9.0829 9.3439 9.3439 10.6386 10.6386 10.9017 10.9017 k = 0.0000 0.4773-0.0000 ( 9394 PWs) bands (ev): -94.5164 -94.5164 -94.5162 -94.5162 -40.2626 -40.2626 -40.2620 -40.2620 -4.8204 -4.8204 -4.6135 -4.6135 0.3994 0.3994 0.5735 0.5735 2.9908 2.9908 3.2422 3.2422 4.6310 4.6310 4.9198 4.9198 9.1281 9.1281 9.3025 9.3025 10.6754 10.6754 10.8537 10.8537 k = 0.0000 0.4886-0.0000 ( 9402 PWs) bands (ev): -94.5163 -94.5163 -94.5162 -94.5162 -40.2624 -40.2624 -40.2622 -40.2622 -4.7669 -4.7669 -4.6632 -4.6632 0.4370 0.4370 0.5246 0.5246 3.0489 3.0489 3.1750 3.1750 4.7041 4.7041 4.8487 4.8487 9.1728 9.1728 9.2601 9.2601 10.7161 10.7161 10.8061 10.8061 k = 0.0000 0.5000-0.0000 ( 9406 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2623 -40.2623 -40.2623 -40.2623 -4.7144 -4.7144 -4.7144 -4.7144 0.4789 0.4789 0.4789 0.4789 3.1104 3.1104 3.1104 3.1104 4.7767 4.7767 4.7767 4.7767 9.2168 9.2168 9.2168 9.2168 10.7599 10.7599 10.7599 10.7599 k = 0.0000 0.5000-0.0000 ( 9406 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2623 -40.2623 -40.2623 -40.2623 -4.7144 -4.7144 -4.7144 -4.7144 0.4789 0.4789 0.4789 0.4789 3.1104 3.1104 3.1104 3.1104 4.7767 4.7767 4.7767 4.7767 9.2168 9.2168 9.2168 9.2168 10.7599 10.7599 10.7599 10.7599 k = 0.0114 0.5000-0.0000 ( 9406 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2623 -40.2623 -40.2623 -40.2623 -4.7136 -4.7136 -4.7135 -4.7135 0.4797 0.4797 0.4798 0.4798 3.1094 3.1094 3.1102 3.1102 4.7689 4.7689 4.7699 4.7699 9.2267 9.2267 9.2269 9.2269 10.7336 10.7336 10.7370 10.7370 k = 0.0227 0.5000-0.0000 ( 9390 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2623 -40.2623 -40.2623 -40.2623 -4.7109 -4.7109 -4.7109 -4.7109 0.4822 0.4822 0.4823 0.4823 3.1072 3.1072 3.1087 3.1087 4.7469 4.7469 4.7489 4.7489 9.2565 9.2565 9.2569 9.2569 10.6677 10.6677 10.6731 10.6731 k = 0.0341 0.5000-0.0000 ( 9384 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2623 -40.2623 -40.2623 -40.2623 -4.7066 -4.7066 -4.7065 -4.7065 0.4864 0.4864 0.4864 0.4864 3.1036 3.1036 3.1060 3.1060 4.7114 4.7114 4.7144 4.7144 9.3051 9.3051 9.3057 9.3057 10.5774 10.5774 10.5834 10.5834 k = 0.0455 0.5000-0.0000 ( 9388 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2623 -40.2623 -40.2623 -40.2623 -4.7005 -4.7005 -4.7004 -4.7004 0.4922 0.4922 0.4922 0.4922 3.0986 3.0986 3.1018 3.1018 4.6635 4.6635 4.6675 4.6675 9.3708 9.3708 9.3716 9.3716 10.4734 10.4734 10.4793 10.4793 k = 0.0568 0.5000-0.0000 ( 9386 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2623 -40.2623 -40.2623 -40.2623 -4.6926 -4.6926 -4.6925 -4.6925 0.4995 0.4995 0.4996 0.4996 3.0918 3.0918 3.0960 3.0960 4.6047 4.6047 4.6099 4.6099 9.4511 9.4511 9.4521 9.4521 10.3625 10.3625 10.3681 10.3681 k = 0.0682 0.5000-0.0000 ( 9388 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2622 -40.2622 -40.2622 -40.2622 -4.6831 -4.6831 -4.6829 -4.6829 0.5085 0.5085 0.5086 0.5086 3.0832 3.0832 3.0884 3.0884 4.5368 4.5368 4.5431 4.5431 9.5415 9.5415 9.5427 9.5427 10.2513 10.2513 10.2563 10.2563 k = 0.0795 0.5000-0.0000 ( 9406 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2622 -40.2622 -40.2622 -40.2622 -4.6719 -4.6719 -4.6717 -4.6717 0.5190 0.5190 0.5191 0.5191 3.0722 3.0722 3.0785 3.0785 4.4616 4.4616 4.4690 4.4690 9.6325 9.6325 9.6336 9.6336 10.1498 10.1498 10.1540 10.1540 k = 0.0909 0.5000-0.0000 ( 9400 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2622 -40.2622 -40.2622 -40.2622 -4.6590 -4.6590 -4.6588 -4.6588 0.5310 0.5310 0.5311 0.5311 3.0585 3.0585 3.0659 3.0659 4.3809 4.3809 4.3896 4.3896 9.6982 9.6982 9.6984 9.6984 10.0843 10.0843 10.0867 10.0867 k = 0.1023 0.5000-0.0000 ( 9406 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2622 -40.2622 -40.2622 -40.2622 -4.6445 -4.6445 -4.6442 -4.6442 0.5444 0.5444 0.5445 0.5445 3.0414 3.0414 3.0501 3.0501 4.2966 4.2966 4.3067 4.3067 9.6890 9.6890 9.6905 9.6905 10.1011 10.1011 10.1017 10.1017 k = 0.1136 0.5000-0.0000 ( 9402 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2622 -40.2622 -40.2622 -40.2622 -4.6283 -4.6283 -4.6280 -4.6280 0.5591 0.5591 0.5593 0.5593 3.0205 3.0205 3.0306 3.0306 4.2107 4.2107 4.2222 4.2222 9.6093 9.6093 9.6116 9.6116 10.1926 10.1926 10.1955 10.1955 k = 0.1250 0.5000-0.0000 ( 9410 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2622 -40.2622 -40.2622 -40.2622 -4.6106 -4.6106 -4.6103 -4.6103 0.5751 0.5751 0.5754 0.5754 2.9950 2.9950 3.0065 3.0065 4.1251 4.1251 4.1380 4.1380 9.5009 9.5009 9.5032 9.5032 10.3132 10.3132 10.3185 10.3185 k = 0.1364 0.5000-0.0000 ( 9414 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2621 -40.2621 -40.2621 -40.2621 -4.5913 -4.5913 -4.5910 -4.5910 0.5923 0.5923 0.5927 0.5927 2.9642 2.9642 2.9772 2.9772 4.0414 4.0414 4.0558 4.0558 9.3830 9.3830 9.3852 9.3852 10.4273 10.4273 10.4360 10.4360 k = 0.1477 0.5000-0.0000 ( 9418 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2621 -40.2621 -40.2621 -40.2621 -4.5706 -4.5706 -4.5703 -4.5703 0.6105 0.6105 0.6110 0.6110 2.9274 2.9274 2.9419 2.9419 3.9613 3.9613 3.9772 3.9772 9.2625 9.2625 9.2644 9.2644 10.4920 10.4920 10.5035 10.5035 k = 0.1591 0.5000-0.0000 ( 9414 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2621 -40.2621 -40.2621 -40.2621 -4.5484 -4.5484 -4.5481 -4.5481 0.6296 0.6296 0.6301 0.6301 2.8841 2.8841 2.8999 2.8999 3.8863 3.8863 3.9036 3.9036 9.1419 9.1419 9.1435 9.1435 10.4796 10.4796 10.4904 10.4904 k = 0.1705 0.5000-0.0000 ( 9414 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2621 -40.2621 -40.2621 -40.2621 -4.5249 -4.5249 -4.5245 -4.5245 0.6495 0.6495 0.6501 0.6501 2.8341 2.8341 2.8510 2.8510 3.8175 3.8175 3.8359 3.8359 9.0229 9.0229 9.0242 9.0242 10.4182 10.4182 10.4270 10.4270 k = 0.1818 0.5000-0.0000 ( 9414 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2620 -40.2620 -40.2620 -40.2620 -4.5000 -4.5000 -4.4996 -4.4996 0.6697 0.6697 0.6705 0.6705 2.7774 2.7774 2.7953 2.7953 3.7553 3.7553 3.7746 3.7746 8.9062 8.9062 8.9073 8.9073 10.3355 10.3355 10.3428 10.3428 k = 0.1932 0.5000-0.0000 ( 9414 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2620 -40.2620 -40.2620 -40.2620 -4.4739 -4.4739 -4.4735 -4.4735 0.6903 0.6903 0.6911 0.6911 2.7148 2.7148 2.7334 2.7334 3.6999 3.6999 3.7198 3.7198 8.7927 8.7927 8.7934 8.7934 10.2431 10.2431 10.2492 10.2492 k = 0.2045 0.5000-0.0000 ( 9406 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2620 -40.2620 -40.2620 -40.2620 -4.4466 -4.4466 -4.4462 -4.4462 0.7107 0.7107 0.7117 0.7117 2.6472 2.6472 2.6662 2.6662 3.6508 3.6508 3.6711 3.6711 8.6827 8.6827 8.6832 8.6832 10.1455 10.1455 10.1508 10.1508 k = 0.2159 0.5000-0.0000 ( 9406 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2619 -40.2619 -40.2619 -40.2619 -4.4183 -4.4183 -4.4178 -4.4178 0.7306 0.7306 0.7318 0.7318 2.5761 2.5761 2.5953 2.5953 3.6073 3.6073 3.6277 3.6277 8.5768 8.5768 8.5770 8.5770 10.0450 10.0450 10.0497 10.0497 k = 0.2273 0.5000-0.0000 ( 9406 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2619 -40.2619 -40.2619 -40.2619 -4.3889 -4.3889 -4.3885 -4.3885 0.7497 0.7497 0.7510 0.7510 2.5029 2.5029 2.5222 2.5222 3.5685 3.5685 3.5887 3.5887 8.4753 8.4753 8.4753 8.4753 9.9428 9.9428 9.9470 9.9470 k = 0.2386 0.5000-0.0000 ( 9406 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2619 -40.2619 -40.2619 -40.2619 -4.3587 -4.3587 -4.3582 -4.3582 0.7672 0.7672 0.7688 0.7688 2.4295 2.4295 2.4487 2.4487 3.5331 3.5331 3.5532 3.5532 8.3783 8.3783 8.3785 8.3785 9.8399 9.8399 9.8435 9.8435 k = 0.2500 0.5000-0.0000 ( 9412 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2618 -40.2618 -40.2618 -40.2618 -4.3277 -4.3277 -4.3272 -4.3272 0.7827 0.7827 0.7845 0.7845 2.3575 2.3575 2.3765 2.3765 3.5004 3.5004 3.5201 3.5201 8.2864 8.2864 8.2869 8.2869 9.7366 9.7366 9.7399 9.7399 k = 0.2614 0.5000-0.0000 ( 9408 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2618 -40.2618 -40.2618 -40.2618 -4.2960 -4.2960 -4.2955 -4.2955 0.7954 0.7954 0.7973 0.7973 2.2887 2.2887 2.3075 2.3075 3.4693 3.4693 3.4886 3.4886 8.1999 8.1999 8.2005 8.2005 9.6337 9.6337 9.6366 9.6366 k = 0.2727 0.5000-0.0000 ( 9404 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2618 -40.2618 -40.2618 -40.2618 -4.2639 -4.2639 -4.2633 -4.2633 0.8045 0.8045 0.8066 0.8066 2.2246 2.2246 2.2432 2.2432 3.4391 3.4391 3.4580 3.4580 8.1190 8.1190 8.1198 8.1198 9.5313 9.5313 9.5340 9.5340 k = 0.2841 0.5000-0.0000 ( 9408 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2617 -40.2617 -40.2617 -40.2617 -4.2313 -4.2313 -4.2308 -4.2308 0.8091 0.8091 0.8115 0.8115 2.1669 2.1669 2.1853 2.1853 3.4092 3.4092 3.4277 3.4277 8.0439 8.0439 8.0449 8.0449 9.4299 9.4299 9.4323 9.4323 k = 0.2955 0.5000-0.0000 ( 9408 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2617 -40.2617 -40.2617 -40.2617 -4.1985 -4.1985 -4.1980 -4.1980 0.8086 0.8086 0.8111 0.8111 2.1170 2.1170 2.1351 2.1351 3.3789 3.3789 3.3970 3.3970 7.9749 7.9749 7.9761 7.9761 9.3297 9.3297 9.3318 9.3318 k = 0.3068 0.5000-0.0000 ( 9408 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2617 -40.2617 -40.2617 -40.2617 -4.1656 -4.1656 -4.1651 -4.1651 0.8023 0.8023 0.8048 0.8048 2.0761 2.0761 2.0938 2.0938 3.3479 3.3479 3.3656 3.3656 7.9121 7.9121 7.9134 7.9134 9.2309 9.2309 9.2329 9.2329 k = 0.3182 0.5000-0.0000 ( 9400 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2616 -40.2616 -40.2616 -40.2616 -4.1329 -4.1329 -4.1324 -4.1324 0.7899 0.7899 0.7924 0.7924 2.0450 2.0450 2.0624 2.0624 3.3159 3.3159 3.3332 3.3332 7.8557 7.8557 7.8570 7.8570 9.1340 9.1340 9.1357 9.1357 k = 0.3295 0.5000-0.0000 ( 9396 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2616 -40.2616 -40.2616 -40.2616 -4.1005 -4.1005 -4.0999 -4.0999 0.7714 0.7714 0.7737 0.7737 2.0241 2.0241 2.0410 2.0410 3.2825 3.2825 3.2994 3.2994 7.8057 7.8057 7.8071 7.8071 9.0390 9.0390 9.0406 9.0406 k = 0.3409 0.5000-0.0000 ( 9392 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2616 -40.2616 -40.2616 -40.2616 -4.0685 -4.0685 -4.0680 -4.0680 0.7471 0.7471 0.7493 0.7493 2.0133 2.0133 2.0298 2.0298 3.2476 3.2476 3.2641 3.2641 7.7621 7.7621 7.7635 7.7635 8.9462 8.9462 8.9476 8.9476 k = 0.3523 0.5000-0.0000 ( 9392 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2616 -40.2616 -40.2616 -40.2616 -4.0373 -4.0373 -4.0369 -4.0369 0.7180 0.7180 0.7200 0.7200 2.0121 2.0121 2.0281 2.0281 3.2110 3.2110 3.2272 3.2272 7.7250 7.7250 7.7265 7.7265 8.8559 8.8559 8.8571 8.8571 k = 0.3636 0.5000-0.0000 ( 9380 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2615 -40.2615 -40.2615 -40.2615 -4.0071 -4.0071 -4.0066 -4.0066 0.6851 0.6851 0.6868 0.6868 2.0197 2.0197 2.0352 2.0352 3.1729 3.1729 3.1887 3.1887 7.6943 7.6943 7.6958 7.6958 8.7683 8.7683 8.7694 8.7694 k = 0.3750 0.5000-0.0000 ( 9390 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2615 -40.2615 -40.2615 -40.2615 -3.9780 -3.9780 -3.9776 -3.9776 0.6496 0.6496 0.6510 0.6510 2.0350 2.0350 2.0500 2.0500 3.1331 3.1331 3.1485 3.1485 7.6698 7.6698 7.6713 7.6713 8.6836 8.6836 8.6846 8.6846 k = 0.3864 0.5000-0.0000 ( 9402 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2615 -40.2615 -40.2615 -40.2615 -3.9504 -3.9504 -3.9500 -3.9500 0.6128 0.6128 0.6140 0.6140 2.0569 2.0569 2.0714 2.0714 3.0919 3.0919 3.1069 3.1069 7.6515 7.6515 7.6530 7.6530 8.6022 8.6022 8.6030 8.6030 k = 0.3977 0.5000-0.0000 ( 9406 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2615 -40.2615 -40.2615 -40.2615 -3.9244 -3.9244 -3.9240 -3.9240 0.5759 0.5759 0.5769 0.5769 2.0843 2.0843 2.0983 2.0983 3.0494 3.0494 3.0640 3.0640 7.6390 7.6390 7.6404 7.6404 8.5244 8.5244 8.5251 8.5251 k = 0.4091 0.5000-0.0000 ( 9410 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2615 -40.2615 -40.2615 -40.2615 -3.9004 -3.9004 -3.9000 -3.9000 0.5401 0.5401 0.5408 0.5408 2.1161 2.1161 2.1296 2.1296 3.0059 3.0059 3.0201 3.0201 7.6321 7.6321 7.6335 7.6335 8.4506 8.4506 8.4511 8.4511 k = 0.4205 0.5000-0.0000 ( 9416 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2614 -40.2614 -40.2614 -40.2614 -3.8784 -3.8784 -3.8781 -3.8781 0.5063 0.5063 0.5068 0.5068 2.1512 2.1512 2.1641 2.1641 2.9619 2.9619 2.9755 2.9755 7.6303 7.6303 7.6315 7.6315 8.3811 8.3811 8.3815 8.3815 k = 0.4318 0.5000-0.0000 ( 9406 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2614 -40.2614 -40.2614 -40.2614 -3.8589 -3.8589 -3.8586 -3.8586 0.4753 0.4753 0.4758 0.4758 2.1885 2.1885 2.2008 2.2008 2.9179 2.9179 2.9309 2.9309 7.6330 7.6330 7.6341 7.6341 8.3168 8.3168 8.3171 8.3171 k = 0.4432 0.5000-0.0000 ( 9402 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2614 -40.2614 -40.2614 -40.2614 -3.8419 -3.8419 -3.8417 -3.8417 0.4480 0.4480 0.4483 0.4483 2.2269 2.2269 2.2384 2.2384 2.8747 2.8747 2.8869 2.8869 7.6393 7.6393 7.6404 7.6404 8.2583 8.2583 8.2584 8.2584 k = 0.4545 0.5000-0.0000 ( 9406 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2614 -40.2614 -40.2614 -40.2614 -3.8277 -3.8277 -3.8275 -3.8275 0.4248 0.4248 0.4251 0.4251 2.2648 2.2648 2.2753 2.2753 2.8337 2.8337 2.8448 2.8448 7.6484 7.6484 7.6493 7.6493 8.2066 8.2066 8.2067 8.2067 k = 0.4659 0.5000-0.0000 ( 9402 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2614 -40.2614 -40.2614 -40.2614 -3.8165 -3.8165 -3.8164 -3.8164 0.4063 0.4063 0.4065 0.4065 2.3003 2.3003 2.3094 2.3094 2.7967 2.7967 2.8062 2.8062 7.6587 7.6587 7.6594 7.6594 8.1632 8.1632 8.1633 8.1633 k = 0.4773 0.5000-0.0000 ( 9412 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2614 -40.2614 -40.2614 -40.2614 -3.8084 -3.8084 -3.8083 -3.8083 0.3929 0.3929 0.3930 0.3930 2.3308 2.3308 2.3377 2.3377 2.7664 2.7664 2.7736 2.7736 7.6683 7.6683 7.6688 7.6688 8.1300 8.1300 8.1300 8.1300 k = 0.4886 0.5000-0.0000 ( 9420 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2614 -40.2614 -40.2614 -40.2614 -3.8035 -3.8035 -3.8034 -3.8034 0.3847 0.3847 0.3847 0.3847 2.3525 2.3525 2.3564 2.3564 2.7466 2.7466 2.7506 2.7506 7.6754 7.6754 7.6756 7.6756 8.1088 8.1088 8.1088 8.1088 k = 0.5000 0.5000-0.0000 ( 9408 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2614 -40.2614 -40.2614 -40.2614 -3.8018 -3.8018 -3.8018 -3.8018 0.3820 0.3820 0.3820 0.3820 2.3618 2.3618 2.3618 2.3618 2.7409 2.7409 2.7409 2.7409 7.6781 7.6781 7.6781 7.6781 8.1015 8.1015 8.1015 8.1015 k = 0.5000 0.5000-0.0000 ( 9408 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2614 -40.2614 -40.2614 -40.2614 -3.8018 -3.8018 -3.8018 -3.8018 0.3820 0.3820 0.3820 0.3820 2.3618 2.3618 2.3618 2.3618 2.7409 2.7409 2.7409 2.7409 7.6781 7.6781 7.6781 7.6781 8.1015 8.1015 8.1015 8.1015 k = 0.4919 0.4919-0.0000 ( 9420 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2614 -40.2614 -40.2614 -40.2614 -3.8051 -3.8051 -3.8019 -3.8019 0.3830 0.3830 0.3865 0.3865 2.3459 2.3459 2.3632 2.3632 2.7390 2.7390 2.7580 2.7580 7.6720 7.6720 7.6790 7.6790 8.1041 8.1041 8.1135 8.1135 k = 0.4839 0.4839-0.0000 ( 9414 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2614 -40.2614 -40.2614 -40.2614 -3.8147 -3.8147 -3.8021 -3.8021 0.3860 0.3860 0.4000 0.4000 2.3055 2.3055 2.3670 2.3670 2.7338 2.7338 2.8022 2.8022 7.6559 7.6559 7.6819 7.6819 8.1118 8.1118 8.1476 8.1476 k = 0.4758 0.4758-0.0000 ( 9412 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2614 -40.2614 -40.2614 -40.2614 -3.8306 -3.8306 -3.8024 -3.8024 0.3912 0.3912 0.4223 0.4223 2.2511 2.2511 2.3733 2.3733 2.7252 2.7252 2.8627 2.8627 7.6340 7.6340 7.6868 7.6868 8.1248 8.1248 8.1994 8.1994 k = 0.4677 0.4677-0.0000 ( 9408 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2614 -40.2614 -40.2614 -40.2614 -3.8526 -3.8526 -3.8030 -3.8030 0.3983 0.3983 0.4532 0.4532 2.1903 2.1903 2.3822 2.3822 2.7134 2.7134 2.9322 2.9322 7.6105 7.6105 7.6935 7.6935 8.1429 8.1429 8.2648 8.2648 k = 0.4597 0.4597-0.0000 ( 9404 PWs) bands (ev): -94.5163 -94.5163 -94.5162 -94.5162 -40.2615 -40.2615 -40.2613 -40.2613 -3.8803 -3.8803 -3.8036 -3.8036 0.4075 0.4075 0.4923 0.4923 2.1268 2.1268 2.3935 2.3935 2.6984 2.6984 3.0068 3.0068 7.5881 7.5881 7.7022 7.7022 8.1662 8.1662 8.3407 8.3407 k = 0.4516 0.4516-0.0000 ( 9404 PWs) bands (ev): -94.5163 -94.5163 -94.5162 -94.5162 -40.2615 -40.2615 -40.2613 -40.2613 -3.9134 -3.9134 -3.8045 -3.8045 0.4187 0.4187 0.5392 0.5392 2.0628 2.0628 2.4074 2.4074 2.6804 2.6804 3.0843 3.0843 7.5685 7.5685 7.7128 7.7128 8.1949 8.1949 8.4255 8.4255 k = 0.4435 0.4435-0.0000 ( 9410 PWs) bands (ev): -94.5163 -94.5163 -94.5162 -94.5162 -40.2616 -40.2616 -40.2613 -40.2613 -3.9515 -3.9515 -3.8056 -3.8056 0.4318 0.4318 0.5933 0.5933 1.9995 1.9995 2.4238 2.4238 2.6597 2.6597 3.1635 3.1635 7.5530 7.5530 7.7253 7.7253 8.2288 8.2288 8.5177 8.5177 k = 0.4355 0.4355-0.0000 ( 9410 PWs) bands (ev): -94.5163 -94.5163 -94.5162 -94.5162 -40.2616 -40.2616 -40.2613 -40.2613 -3.9941 -3.9941 -3.8069 -3.8069 0.4471 0.4471 0.6541 0.6541 1.9375 1.9375 2.4427 2.4427 2.6364 2.6364 3.2436 3.2436 7.5421 7.5421 7.7398 7.7398 8.2681 8.2681 8.6167 8.6167 k = 0.4274 0.4274-0.0000 ( 9422 PWs) bands (ev): -94.5163 -94.5163 -94.5162 -94.5162 -40.2617 -40.2617 -40.2613 -40.2613 -4.0407 -4.0407 -3.8085 -3.8085 0.4643 0.4643 0.7209 0.7209 1.8774 1.8774 2.4641 2.4641 2.6109 2.6109 3.3242 3.3242 7.5362 7.5362 7.7561 7.7561 8.3128 8.3128 8.7218 8.7218 k = 0.4194 0.4194-0.0000 ( 9422 PWs) bands (ev): -94.5164 -94.5164 -94.5162 -94.5162 -40.2617 -40.2617 -40.2613 -40.2613 -4.0909 -4.0909 -3.8103 -3.8103 0.4835 0.4835 0.7933 0.7933 1.8195 1.8195 2.4880 2.4880 2.5835 2.5835 3.4048 3.4048 7.5356 7.5356 7.7742 7.7742 8.3630 8.3630 8.8325 8.8325 k = 0.4113 0.4113-0.0000 ( 9418 PWs) bands (ev): -94.5164 -94.5164 -94.5162 -94.5162 -40.2618 -40.2618 -40.2612 -40.2612 -4.1443 -4.1443 -3.8125 -3.8125 0.5048 0.5048 0.8704 0.8704 1.7643 1.7643 2.5143 2.5143 2.5546 2.5546 3.4850 3.4850 7.5405 7.5405 7.7943 7.7943 8.4186 8.4186 8.9485 8.9485 k = 0.4032 0.4032-0.0000 ( 9418 PWs) bands (ev): -94.5164 -94.5164 -94.5161 -94.5161 -40.2619 -40.2619 -40.2612 -40.2612 -4.2004 -4.2004 -3.8150 -3.8150 0.5279 0.5279 0.9515 0.9515 1.7118 1.7118 2.5245 2.5245 2.5434 2.5434 3.5645 3.5645 7.5510 7.5510 7.8161 7.8161 8.4798 8.4798 9.0696 9.0696 k = 0.3952 0.3952-0.0000 ( 9418 PWs) bands (ev): -94.5164 -94.5164 -94.5161 -94.5161 -40.2620 -40.2620 -40.2612 -40.2612 -4.2589 -4.2589 -3.8180 -3.8180 0.5531 0.5531 1.0357 1.0357 1.6623 1.6623 2.4943 2.4943 2.5746 2.5746 3.6433 3.6433 7.5670 7.5670 7.8398 7.8398 8.5465 8.5465 9.1954 9.1954 k = 0.3871 0.3871-0.0000 ( 9414 PWs) bands (ev): -94.5164 -94.5164 -94.5161 -94.5161 -40.2621 -40.2621 -40.2611 -40.2611 -4.3193 -4.3193 -3.8213 -3.8213 0.5801 0.5801 1.1222 1.1222 1.6159 1.6159 2.4642 2.4642 2.6084 2.6084 3.7210 3.7210 7.5886 7.5886 7.8653 7.8653 8.6187 8.6187 9.3257 9.3257 k = 0.3790 0.3790-0.0000 ( 9410 PWs) bands (ev): -94.5165 -94.5165 -94.5161 -94.5161 -40.2622 -40.2622 -40.2611 -40.2611 -4.3812 -4.3812 -3.8251 -3.8251 0.6091 0.6091 1.2098 1.2098 1.5729 1.5729 2.4354 2.4354 2.6447 2.6447 3.7974 3.7974 7.6158 7.6158 7.8925 7.8925 8.6965 8.6965 9.4603 9.4603 k = 0.3710 0.3710-0.0000 ( 9406 PWs) bands (ev): -94.5165 -94.5165 -94.5160 -94.5160 -40.2622 -40.2622 -40.2611 -40.2611 -4.4444 -4.4444 -3.8293 -3.8293 0.6400 0.6400 1.2970 1.2970 1.5334 1.5334 2.4090 2.4090 2.6834 2.6834 3.8725 3.8725 7.6486 7.6486 7.9214 7.9214 8.7797 8.7797 9.5989 9.5989 k = 0.3629 0.3629-0.0000 ( 9410 PWs) bands (ev): -94.5165 -94.5165 -94.5160 -94.5160 -40.2624 -40.2624 -40.2610 -40.2610 -4.5086 -4.5086 -3.8341 -3.8341 0.6727 0.6727 1.3819 1.3819 1.4974 1.4974 2.3868 2.3868 2.7245 2.7245 3.9461 3.9461 7.6869 7.6869 7.9521 7.9521 8.8684 8.8684 9.7415 9.7415 k = 0.3548 0.3548-0.0000 ( 9408 PWs) bands (ev): -94.5165 -94.5165 -94.5160 -94.5160 -40.2625 -40.2625 -40.2610 -40.2610 -4.5734 -4.5734 -3.8394 -3.8394 0.7073 0.7073 1.4613 1.4613 1.4659 1.4659 2.3711 2.3711 2.7681 2.7681 4.0181 4.0181 7.7308 7.7308 7.9844 7.9844 8.9624 8.9624 9.8877 9.8877 k = 0.3468 0.3468-0.0000 ( 9420 PWs) bands (ev): -94.5166 -94.5166 -94.5160 -94.5160 -40.2626 -40.2626 -40.2610 -40.2610 -4.6387 -4.6387 -3.8452 -3.8452 0.7437 0.7437 1.4364 1.4364 1.5344 1.5344 2.3650 2.3650 2.8140 2.8140 4.0885 4.0885 7.7800 7.7800 8.0183 8.0183 9.0617 9.0617 10.0375 10.0375 k = 0.3387 0.3387-0.0000 ( 9428 PWs) bands (ev): -94.5166 -94.5166 -94.5159 -94.5159 -40.2627 -40.2627 -40.2609 -40.2609 -4.7041 -4.7041 -3.8516 -3.8516 0.7818 0.7818 1.4117 1.4117 1.5949 1.5949 2.3721 2.3721 2.8624 2.8624 4.1571 4.1571 7.8347 7.8347 8.0538 8.0538 9.1660 9.1660 10.1904 10.1904 k = 0.3306 0.3306-0.0000 ( 9418 PWs) bands (ev): -94.5166 -94.5166 -94.5159 -94.5159 -40.2628 -40.2628 -40.2609 -40.2609 -4.7695 -4.7695 -3.8586 -3.8586 0.8217 0.8217 1.3910 1.3910 1.6400 1.6400 2.3961 2.3961 2.9131 2.9131 4.2239 4.2239 7.8947 7.8947 8.0908 8.0908 9.2752 9.2752 10.3465 10.3465 k = 0.3226 0.3226-0.0000 ( 9422 PWs) bands (ev): -94.5167 -94.5167 -94.5159 -94.5159 -40.2630 -40.2630 -40.2608 -40.2608 -4.8347 -4.8347 -3.8662 -3.8662 0.8634 0.8634 1.3741 1.3741 1.6675 1.6675 2.4388 2.4388 2.9661 2.9661 4.2890 4.2890 7.9601 7.9601 8.1293 8.1293 9.3890 9.3890 10.5054 10.5054 k = 0.3145 0.3145-0.0000 ( 9422 PWs) bands (ev): -94.5167 -94.5167 -94.5158 -94.5158 -40.2631 -40.2631 -40.2608 -40.2608 -4.8995 -4.8995 -3.8745 -3.8745 0.9067 0.9067 1.3613 1.3613 1.6780 1.6780 2.4996 2.4996 3.0215 3.0215 4.3523 4.3523 8.0306 8.0306 8.1692 8.1692 9.5071 9.5071 10.6667 10.6667 k = 0.3065 0.3065-0.0000 ( 9414 PWs) bands (ev): -94.5167 -94.5167 -94.5158 -94.5158 -40.2632 -40.2632 -40.2607 -40.2607 -4.9638 -4.9638 -3.8833 -3.8833 0.9517 0.9517 1.3525 1.3525 1.6740 1.6740 2.5759 2.5759 3.0792 3.0792 4.4137 4.4137 8.1064 8.1064 8.2104 8.2104 9.6290 9.6290 10.8303 10.8303 k = 0.2984 0.2984-0.0000 ( 9410 PWs) bands (ev): -94.5168 -94.5168 -94.5158 -94.5158 -40.2634 -40.2634 -40.2607 -40.2607 -5.0274 -5.0274 -3.8926 -3.8926 0.9983 0.9983 1.3477 1.3477 1.6591 1.6591 2.6642 2.6642 3.1391 3.1391 4.4734 4.4734 8.1872 8.1872 8.2529 8.2529 9.7544 9.7544 10.9956 10.9956 k = 0.2903 0.2903-0.0000 ( 9412 PWs) bands (ev): -94.5168 -94.5168 -94.5157 -94.5157 -40.2635 -40.2635 -40.2607 -40.2607 -5.0902 -5.0902 -3.9026 -3.9026 1.0464 1.0464 1.3470 1.3470 1.6361 1.6361 2.7613 2.7613 3.2014 3.2014 4.5314 4.5314 8.2731 8.2731 8.2965 8.2965 9.8825 9.8825 11.1621 11.1621 k = 0.2823 0.2823-0.0000 ( 9408 PWs) bands (ev): -94.5168 -94.5168 -94.5157 -94.5157 -40.2636 -40.2636 -40.2606 -40.2606 -5.1521 -5.1521 -3.9131 -3.9131 1.0961 1.0961 1.3503 1.3503 1.6076 1.6076 2.8646 2.8646 3.2658 3.2658 4.5876 4.5876 8.3412 8.3412 8.3639 8.3639 10.0125 10.0125 11.3290 11.3290 k = 0.2742 0.2742-0.0000 ( 9420 PWs) bands (ev): -94.5169 -94.5169 -94.5157 -94.5157 -40.2638 -40.2638 -40.2606 -40.2606 -5.2130 -5.2130 -3.9242 -3.9242 1.1470 1.1470 1.3577 1.3577 1.5754 1.5754 2.9724 2.9724 3.3324 3.3324 4.6422 4.6422 8.3868 8.3868 8.4596 8.4596 10.1434 10.1434 11.4948 11.4948 k = 0.2661 0.2661-0.0000 ( 9420 PWs) bands (ev): -94.5169 -94.5169 -94.5156 -94.5156 -40.2639 -40.2639 -40.2605 -40.2605 -5.2728 -5.2728 -3.9358 -3.9358 1.1993 1.1993 1.3690 1.3690 1.5407 1.5407 3.0833 3.0833 3.4012 3.4012 4.6951 4.6951 8.4332 8.4332 8.5599 8.5599 10.2738 10.2738 11.6573 11.6573 k = 0.2581 0.2581-0.0000 ( 9406 PWs) bands (ev): -94.5169 -94.5169 -94.5156 -94.5156 -40.2641 -40.2641 -40.2605 -40.2605 -5.3314 -5.3314 -3.9478 -3.9478 1.2530 1.2530 1.3842 1.3842 1.5044 1.5044 3.1962 3.1962 3.4720 3.4720 4.7464 4.7464 8.4803 8.4803 8.6647 8.6647 10.4017 10.4017 11.7022 11.7022 k = 0.2500 0.2500-0.0000 ( 9404 PWs) bands (ev): -94.5170 -94.5170 -94.5156 -94.5156 -40.2642 -40.2642 -40.2604 -40.2604 -5.3887 -5.3887 -3.9602 -3.9602 1.3077 1.3077 1.4033 1.4033 1.4674 1.4674 3.3104 3.3104 3.5450 3.5450 4.7961 4.7961 8.5278 8.5278 8.7739 8.7739 10.5242 10.5242 11.4954 11.4954 k = 0.2419 0.2419-0.0000 ( 9408 PWs) bands (ev): -94.5170 -94.5170 -94.5155 -94.5155 -40.2643 -40.2643 -40.2604 -40.2604 -5.4447 -5.4447 -3.9731 -3.9731 1.3628 1.3628 1.4232 1.4232 1.4335 1.4335 3.4254 3.4254 3.6200 3.6200 4.8443 4.8443 8.5756 8.5756 8.8872 8.8872 10.6363 10.6363 11.2944 11.2944 k = 0.2339 0.2339-0.0000 ( 9414 PWs) bands (ev): -94.5170 -94.5170 -94.5155 -94.5155 -40.2645 -40.2645 -40.2603 -40.2603 -5.4992 -5.4992 -3.9862 -3.9862 1.3877 1.3877 1.4231 1.4231 1.4546 1.4546 3.5406 3.5406 3.6970 3.6970 4.8910 4.8910 8.6233 8.6233 9.0044 9.0044 10.7258 10.7258 11.1087 11.1087 k = 0.2258 0.2258-0.0000 ( 9410 PWs) bands (ev): -94.5171 -94.5171 -94.5155 -94.5155 -40.2646 -40.2646 -40.2603 -40.2603 -5.5523 -5.5523 -3.9997 -3.9997 1.3520 1.3520 1.4748 1.4748 1.4892 1.4892 3.6557 3.6557 3.7760 3.7760 4.9361 4.9361 8.6708 8.6708 9.1251 9.1251 10.7416 10.7416 10.9855 10.9855 k = 0.2177 0.2177-0.0000 ( 9408 PWs) bands (ev): -94.5171 -94.5171 -94.5154 -94.5154 -40.2648 -40.2648 -40.2602 -40.2602 -5.6039 -5.6039 -4.0133 -4.0133 1.3150 1.3150 1.5144 1.5144 1.5420 1.5420 3.7703 3.7703 3.8571 3.8571 4.9797 4.9797 8.7176 8.7176 9.2488 9.2488 10.6161 10.6161 10.9889 10.9889 k = 0.2097 0.2097-0.0000 ( 9400 PWs) bands (ev): -94.5171 -94.5171 -94.5154 -94.5154 -40.2649 -40.2649 -40.2602 -40.2602 -5.6539 -5.6539 -4.0272 -4.0272 1.2783 1.2783 1.5523 1.5523 1.6008 1.6008 3.8836 3.8836 3.9406 3.9406 5.0217 5.0217 8.7632 8.7632 9.3750 9.3750 10.4385 10.4385 11.0267 11.0267 k = 0.2016 0.2016-0.0000 ( 9408 PWs) bands (ev): -94.5172 -94.5172 -94.5154 -94.5154 -40.2651 -40.2651 -40.2601 -40.2601 -5.7024 -5.7024 -4.0411 -4.0411 1.2423 1.2423 1.5929 1.5929 1.6610 1.6610 3.9940 3.9940 4.0277 4.0277 5.0622 5.0622 8.8072 8.8072 9.5030 9.5030 10.2532 10.2532 10.9646 10.9646 k = 0.1935 0.1935-0.0000 ( 9408 PWs) bands (ev): -94.5172 -94.5172 -94.5153 -94.5153 -40.2652 -40.2652 -40.2601 -40.2601 -5.7492 -5.7492 -4.0551 -4.0551 1.2071 1.2071 1.6363 1.6363 1.7219 1.7219 4.0960 4.0960 4.1237 4.1237 5.1011 5.1011 8.8488 8.8488 9.6319 9.6319 10.0681 10.0681 10.8270 10.8270 k = 0.1855 0.1855-0.0000 ( 9413 PWs) bands (ev): -94.5173 -94.5173 -94.5153 -94.5153 -40.2653 -40.2653 -40.2600 -40.2600 -5.7942 -5.7942 -4.0691 -4.0691 1.1729 1.1729 1.6826 1.6826 1.7832 1.7832 4.1883 4.1883 4.2297 4.2297 5.1383 5.1383 8.8872 8.8872 9.7605 9.7605 9.8858 9.8858 10.6958 10.6958 k = 0.1774 0.1774-0.0000 ( 9409 PWs) bands (ev): -94.5173 -94.5173 -94.5153 -94.5153 -40.2655 -40.2655 -40.2600 -40.2600 -5.8376 -5.8376 -4.0829 -4.0829 1.1397 1.1397 1.7316 1.7316 1.8448 1.8448 4.2783 4.2783 4.3380 4.3380 5.1737 5.1737 8.9212 8.9212 9.7071 9.7071 9.8872 9.8872 10.5725 10.5725 k = 0.1694 0.1694-0.0000 ( 9395 PWs) bands (ev): -94.5173 -94.5173 -94.5152 -94.5152 -40.2656 -40.2656 -40.2599 -40.2599 -5.8792 -5.8792 -4.0967 -4.0967 1.1077 1.1077 1.7831 1.7831 1.9065 1.9065 4.3684 4.3684 4.4456 4.4456 5.2073 5.2073 8.9495 8.9495 9.5328 9.5328 10.0097 10.0097 10.4584 10.4584 k = 0.1613 0.1613-0.0000 ( 9393 PWs) bands (ev): -94.5173 -94.5173 -94.5152 -94.5152 -40.2657 -40.2657 -40.2599 -40.2599 -5.9190 -5.9190 -4.1103 -4.1103 1.0768 1.0768 1.8369 1.8369 1.9681 1.9681 4.4591 4.4591 4.5518 4.5518 5.2389 5.2389 8.9706 8.9706 9.3632 9.3632 10.1252 10.1252 10.3550 10.3550 k = 0.1532 0.1532-0.0000 ( 9401 PWs) bands (ev): -94.5174 -94.5174 -94.5152 -94.5152 -40.2658 -40.2658 -40.2598 -40.2598 -5.9570 -5.9570 -4.1236 -4.1236 1.0472 1.0472 1.8927 1.8927 2.0294 2.0294 4.5505 4.5505 4.6562 4.6562 5.2684 5.2684 8.9826 8.9826 9.1989 9.1989 10.2300 10.2300 10.2643 10.2643 k = 0.1452 0.1452-0.0000 ( 9405 PWs) bands (ev): -94.5174 -94.5174 -94.5151 -94.5151 -40.2659 -40.2659 -40.2598 -40.2598 -5.9932 -5.9932 -4.1365 -4.1365 1.0189 1.0189 1.9503 1.9503 2.0901 2.0901 4.6424 4.6424 4.7584 4.7584 5.2956 5.2956 8.9838 8.9838 9.0401 9.0401 10.1880 10.1880 10.3199 10.3199 k = 0.1371 0.1371-0.0000 ( 9399 PWs) bands (ev): -94.5174 -94.5174 -94.5151 -94.5151 -40.2660 -40.2660 -40.2598 -40.2598 -6.0275 -6.0275 -4.1491 -4.1491 0.9919 0.9919 2.0094 2.0094 2.1501 2.1501 4.7347 4.7347 4.8583 4.8583 5.3205 5.3205 8.8874 8.8874 8.9729 8.9729 10.1275 10.1275 10.3903 10.3903 k = 0.1290 0.1290-0.0000 ( 9391 PWs) bands (ev): -94.5175 -94.5175 -94.5151 -94.5151 -40.2662 -40.2662 -40.2597 -40.2597 -6.0600 -6.0600 -4.1613 -4.1613 0.9663 0.9663 2.0696 2.0696 2.2092 2.2092 4.8270 4.8270 4.9555 4.9555 5.3428 5.3428 8.7411 8.7411 8.9493 8.9493 10.0835 10.0835 10.4118 10.4118 k = 0.1210 0.1210-0.0000 ( 9391 PWs) bands (ev): -94.5175 -94.5175 -94.5151 -94.5151 -40.2663 -40.2663 -40.2597 -40.2597 -6.0906 -6.0906 -4.1731 -4.1731 0.9421 0.9421 2.1307 2.1307 2.2670 2.2670 4.9190 4.9190 5.0499 5.0499 5.3624 5.3624 8.6017 8.6017 8.9137 8.9137 10.0551 10.0551 10.2802 10.2802 k = 0.1129 0.1129-0.0000 ( 9393 PWs) bands (ev): -94.5175 -94.5175 -94.5150 -94.5150 -40.2664 -40.2664 -40.2597 -40.2597 -6.1193 -6.1193 -4.1842 -4.1842 0.9193 0.9193 2.1922 2.1922 2.3232 2.3232 5.0104 5.0104 5.1410 5.1410 5.3793 5.3793 8.4696 8.4696 8.8679 8.8679 10.0408 10.0408 10.1510 10.1510 k = 0.1048 0.1048-0.0000 ( 9385 PWs) bands (ev): -94.5175 -94.5175 -94.5150 -94.5150 -40.2664 -40.2664 -40.2596 -40.2596 -6.1460 -6.1460 -4.1949 -4.1949 0.8980 0.8980 2.2536 2.2536 2.3777 2.3777 5.1006 5.1006 5.2284 5.2284 5.3934 5.3934 8.3452 8.3452 8.8143 8.8143 10.0250 10.0250 10.0381 10.0381 k = 0.0968 0.0968-0.0000 ( 9391 PWs) bands (ev): -94.5176 -94.5176 -94.5150 -94.5150 -40.2665 -40.2665 -40.2596 -40.2596 -6.1709 -6.1709 -4.2049 -4.2049 0.8782 0.8782 2.3145 2.3145 2.4300 2.4300 5.1891 5.1891 5.3114 5.3114 5.4053 5.4053 8.2290 8.2290 8.7557 8.7557 9.9026 9.9026 10.0442 10.0442 k = 0.0887 0.0887-0.0000 ( 9395 PWs) bands (ev): -94.5176 -94.5176 -94.5150 -94.5150 -40.2666 -40.2666 -40.2596 -40.2596 -6.1937 -6.1937 -4.2142 -4.2142 0.8599 0.8599 2.3744 2.3744 2.4799 2.4799 5.2748 5.2748 5.3857 5.3857 5.4191 5.4191 8.1213 8.1213 8.6946 8.6946 9.7846 9.7846 10.0568 10.0568 k = 0.0806 0.0806-0.0000 ( 9399 PWs) bands (ev): -94.5176 -94.5176 -94.5150 -94.5150 -40.2667 -40.2667 -40.2596 -40.2596 -6.2147 -6.2147 -4.2229 -4.2229 0.8432 0.8432 2.4326 2.4326 2.5270 2.5270 5.3547 5.3547 5.4163 5.4163 5.4723 5.4723 8.0226 8.0226 8.6332 8.6332 9.6717 9.6717 10.0735 10.0735 k = 0.0726 0.0726-0.0000 ( 9393 PWs) bands (ev): -94.5176 -94.5176 -94.5149 -94.5149 -40.2668 -40.2668 -40.2595 -40.2595 -6.2336 -6.2336 -4.2309 -4.2309 0.8280 0.8280 2.4884 2.4884 2.5711 2.5711 5.4021 5.4021 5.4528 5.4528 5.5406 5.5406 7.9331 7.9331 8.5734 8.5734 9.5647 9.5647 10.0927 10.0927 k = 0.0645 0.0645-0.0000 ( 9395 PWs) bands (ev): -94.5176 -94.5176 -94.5149 -94.5149 -40.2668 -40.2668 -40.2595 -40.2595 -6.2506 -6.2506 -4.2381 -4.2381 0.8144 0.8144 2.5413 2.5413 2.6118 2.6118 5.4077 5.4077 5.5226 5.5226 5.6050 5.6050 7.8530 7.8530 8.5166 8.5166 9.4646 9.4646 10.1130 10.1130 k = 0.0565 0.0565-0.0000 ( 9407 PWs) bands (ev): -94.5176 -94.5176 -94.5149 -94.5149 -40.2669 -40.2669 -40.2595 -40.2595 -6.2656 -6.2656 -4.2445 -4.2445 0.8023 0.8023 2.5903 2.5903 2.6487 2.6487 5.4060 5.4060 5.5918 5.5918 5.6639 5.6639 7.7826 7.7826 8.4640 8.4640 9.3722 9.3722 10.1330 10.1330 k = 0.0484 0.0484-0.0000 ( 9403 PWs) bands (ev): -94.5176 -94.5176 -94.5149 -94.5149 -40.2669 -40.2669 -40.2595 -40.2595 -6.2786 -6.2786 -4.2501 -4.2501 0.7919 0.7919 2.6348 2.6348 2.6818 2.6818 5.4017 5.4017 5.6553 5.6553 5.7167 5.7167 7.7218 7.7218 8.4168 8.4168 9.2887 9.2887 10.1521 10.1521 k = 0.0403 0.0403-0.0000 ( 9409 PWs) bands (ev): -94.5177 -94.5177 -94.5149 -94.5149 -40.2670 -40.2670 -40.2595 -40.2595 -6.2896 -6.2896 -4.2549 -4.2549 0.7830 0.7830 2.6737 2.6737 2.7106 2.7106 5.3962 5.3962 5.7112 5.7112 5.7632 5.7632 7.6707 7.6707 8.3755 8.3755 9.2153 9.2153 10.1332 10.1332 k = 0.0323 0.0323-0.0000 ( 9409 PWs) bands (ev): -94.5177 -94.5177 -94.5149 -94.5149 -40.2670 -40.2670 -40.2595 -40.2595 -6.2986 -6.2986 -4.2588 -4.2588 0.7758 0.7758 2.7063 2.7063 2.7352 2.7352 5.3902 5.3902 5.7581 5.7581 5.8030 5.8030 7.6291 7.6291 8.3409 8.3409 9.1531 9.1531 10.1020 10.1020 k = 0.0242 0.0242-0.0000 ( 9399 PWs) bands (ev): -94.5177 -94.5177 -94.5149 -94.5149 -40.2670 -40.2670 -40.2594 -40.2594 -6.3056 -6.3056 -4.2619 -4.2619 0.7701 0.7701 2.7316 2.7316 2.7554 2.7554 5.3846 5.3846 5.7949 5.7949 5.8355 5.8355 7.5970 7.5970 8.3136 8.3136 9.1032 9.1032 10.0768 10.0768 k = 0.0161 0.0161-0.0000 ( 9399 PWs) bands (ev): -94.5177 -94.5177 -94.5149 -94.5149 -40.2670 -40.2670 -40.2594 -40.2594 -6.3106 -6.3106 -4.2641 -4.2641 0.7661 0.7661 2.7494 2.7494 2.7708 2.7708 5.3801 5.3801 5.8210 5.8210 5.8599 5.8599 7.5741 7.5741 8.2937 8.2937 9.0668 9.0668 10.0583 10.0583 k = 0.0081 0.0081-0.0000 ( 9407 PWs) bands (ev): -94.5177 -94.5177 -94.5149 -94.5149 -40.2671 -40.2671 -40.2594 -40.2594 -6.3137 -6.3137 -4.2654 -4.2654 0.7637 0.7637 2.7598 2.7598 2.7806 2.7806 5.3771 5.3771 5.8365 5.8365 5.8752 5.8752 7.5605 7.5605 8.2817 8.2817 9.0446 9.0446 10.0471 10.0471 k = 0.0000 0.0000 0.0000 ( 9389 PWs) bands (ev): -94.5177 -94.5177 -94.5149 -94.5149 -40.2670 -40.2670 -40.2594 -40.2594 -6.3147 -6.3147 -4.2658 -4.2658 0.7628 0.7628 2.7632 2.7632 2.7840 2.7840 5.3761 5.3761 5.8417 5.8417 5.8804 5.8804 7.5560 7.5560 8.2778 8.2778 9.0371 9.0371 10.0433 10.0433 k = 0.0000 0.0000 0.0000 ( 9389 PWs) bands (ev): -94.5177 -94.5177 -94.5149 -94.5149 -40.2670 -40.2670 -40.2594 -40.2594 -6.3147 -6.3147 -4.2658 -4.2658 0.7628 0.7628 2.7632 2.7632 2.7840 2.7840 5.3761 5.3761 5.8417 5.8417 5.8804 5.8804 7.5560 7.5560 8.2778 8.2778 9.0371 9.0371 10.0433 10.0433 k = 0.0000 0.0000 0.0111 ( 9401 PWs) bands (ev): -94.5177 -94.5177 -94.5149 -94.5149 -40.2671 -40.2671 -40.2594 -40.2594 -6.3143 -6.3143 -4.2671 -4.2671 0.7663 0.7663 2.7635 2.7635 2.7844 2.7844 5.3713 5.3713 5.8400 5.8400 5.8787 5.8787 7.5524 7.5524 8.2782 8.2782 9.0363 9.0363 10.0502 10.0502 k = 0.0000 0.0000 0.0222 ( 9401 PWs) bands (ev): -94.5177 -94.5177 -94.5149 -94.5149 -40.2671 -40.2671 -40.2594 -40.2594 -6.3132 -6.3132 -4.2707 -4.2707 0.7769 0.7769 2.7646 2.7646 2.7855 2.7855 5.3571 5.3571 5.8350 5.8350 5.8736 5.8736 7.5420 7.5420 8.2797 8.2797 9.0339 9.0339 10.0707 10.0707 k = 0.0000 0.0000 0.0333 ( 9385 PWs) bands (ev): -94.5177 -94.5177 -94.5149 -94.5149 -40.2670 -40.2670 -40.2594 -40.2594 -6.3113 -6.3113 -4.2766 -4.2766 0.7943 0.7943 2.7665 2.7665 2.7873 2.7873 5.3335 5.3335 5.8267 5.8267 5.8653 5.8653 7.5254 7.5254 8.2822 8.2822 9.0300 9.0300 10.1042 10.1042 k = 0.0000 0.0000 0.0444 ( 9385 PWs) bands (ev): -94.5177 -94.5177 -94.5149 -94.5149 -40.2670 -40.2670 -40.2594 -40.2594 -6.3087 -6.3087 -4.2848 -4.2848 0.8186 0.8186 2.7690 2.7690 2.7899 2.7899 5.3005 5.3005 5.8153 5.8153 5.8539 5.8539 7.5036 7.5036 8.2858 8.2858 9.0244 9.0244 10.1495 10.1495 k = 0.0000 0.0000 0.0555 ( 9369 PWs) bands (ev): -94.5177 -94.5177 -94.5149 -94.5149 -40.2670 -40.2670 -40.2594 -40.2594 -6.3054 -6.3054 -4.2952 -4.2952 0.8497 0.8497 2.7723 2.7723 2.7931 2.7931 5.2583 5.2583 5.8010 5.8010 5.8395 5.8395 7.4775 7.4775 8.2904 8.2904 9.0174 9.0174 10.2054 10.2054 k = 0.0000 0.0000 0.0666 ( 9365 PWs) bands (ev): -94.5177 -94.5177 -94.5149 -94.5149 -40.2670 -40.2670 -40.2594 -40.2594 -6.3015 -6.3015 -4.3075 -4.3075 0.8873 0.8873 2.7762 2.7762 2.7970 2.7970 5.2071 5.2071 5.7840 5.7840 5.8225 5.8225 7.4485 7.4485 8.2959 8.2959 9.0089 9.0089 10.2703 10.2703 k = 0.0000 0.0000 0.0777 ( 9349 PWs) bands (ev): -94.5177 -94.5177 -94.5149 -94.5149 -40.2670 -40.2670 -40.2594 -40.2594 -6.2969 -6.2969 -4.3216 -4.3216 0.9314 0.9314 2.7807 2.7807 2.8015 2.8015 5.1472 5.1472 5.7647 5.7647 5.8030 5.8030 7.4177 7.4177 8.3024 8.3024 8.9990 8.9990 10.3428 10.3428 k = 0.0000 0.0000 0.0888 ( 9337 PWs) bands (ev): -94.5177 -94.5177 -94.5149 -94.5149 -40.2670 -40.2670 -40.2594 -40.2594 -6.2917 -6.2917 -4.3373 -4.3373 0.9816 0.9816 2.7857 2.7857 2.8065 2.8065 5.0789 5.0789 5.7434 5.7434 5.7816 5.7816 7.3861 7.3861 8.3099 8.3099 8.9877 8.9877 10.4211 10.4211 k = 0.0000 0.0000 0.0999 ( 9345 PWs) bands (ev): -94.5177 -94.5177 -94.5149 -94.5149 -40.2670 -40.2670 -40.2594 -40.2594 -6.2860 -6.2860 -4.3544 -4.3544 1.0378 1.0378 2.7913 2.7913 2.8121 2.8121 5.0028 5.0028 5.7203 5.7203 5.7584 5.7584 7.3545 7.3545 8.3181 8.3181 8.9751 8.9751 10.4955 10.4955 k = 0.0000 0.0000 0.1110 ( 9345 PWs) bands (ev): -94.5177 -94.5177 -94.5149 -94.5149 -40.2670 -40.2670 -40.2594 -40.2594 -6.2798 -6.2798 -4.3727 -4.3727 1.0997 1.0997 2.7973 2.7973 2.8181 2.8181 4.9193 4.9193 5.6959 5.6959 5.7338 5.7338 7.3238 7.3238 8.3274 8.3274 8.9614 8.9614 10.5591 10.5591 k = 0.0000 0.0000 0.1221 ( 9365 PWs) bands (ev): -94.5177 -94.5177 -94.5149 -94.5149 -40.2670 -40.2670 -40.2594 -40.2594 -6.2733 -6.2733 -4.3918 -4.3918 1.1670 1.1670 2.8036 2.8036 2.8244 2.8244 4.8289 4.8289 5.6705 5.6705 5.7082 5.7082 7.2943 7.2943 8.3376 8.3376 8.9465 8.9465 10.6272 10.6272 k = 0.0000 0.0000 0.1333 ( 9377 PWs) bands (ev): -94.5177 -94.5177 -94.5149 -94.5149 -40.2670 -40.2670 -40.2594 -40.2594 -6.2665 -6.2665 -4.4115 -4.4115 1.2396 1.2396 2.8103 2.8103 2.8311 2.8311 4.7325 4.7325 5.6445 5.6445 5.6820 5.6820 7.2665 7.2665 8.3486 8.3486 8.9306 8.9306 10.6996 10.6996 k = 0.0000 0.0000 0.1444 ( 9373 PWs) bands (ev): -94.5177 -94.5177 -94.5149 -94.5149 -40.2670 -40.2670 -40.2594 -40.2594 -6.2593 -6.2593 -4.4317 -4.4317 1.3171 1.3171 2.8172 2.8172 2.8379 2.8379 4.6305 4.6305 5.6181 5.6181 5.6555 5.6555 7.2406 7.2406 8.3606 8.3606 8.9138 8.9138 10.7761 10.7761 k = 0.0000 0.0000 0.1555 ( 9365 PWs) bands (ev): -94.5177 -94.5177 -94.5149 -94.5149 -40.2670 -40.2670 -40.2594 -40.2594 -6.2520 -6.2520 -4.4519 -4.4519 1.3992 1.3992 2.8242 2.8242 2.8449 2.8449 4.5238 4.5238 5.5919 5.5919 5.6291 5.6291 7.2167 7.2167 8.3733 8.3733 8.8962 8.8962 10.8561 10.8561 k = 0.0000 0.0000 0.1666 ( 9361 PWs) bands (ev): -94.5177 -94.5177 -94.5149 -94.5149 -40.2670 -40.2670 -40.2594 -40.2594 -6.2446 -6.2446 -4.4719 -4.4719 1.4855 1.4855 2.8312 2.8312 2.8519 2.8519 4.4131 4.4131 5.5660 5.5660 5.6031 5.6031 7.1949 7.1949 8.3868 8.3868 8.8778 8.8778 10.9391 10.9391 k = 0.0000 0.0000 0.1777 ( 9365 PWs) bands (ev): -94.5177 -94.5177 -94.5149 -94.5149 -40.2670 -40.2670 -40.2595 -40.2595 -6.2372 -6.2372 -4.4916 -4.4916 1.5758 1.5758 2.8382 2.8382 2.8589 2.8589 4.2990 4.2990 5.5409 5.5409 5.5778 5.5778 7.1751 7.1751 8.4010 8.4010 8.8588 8.8588 11.0246 11.0246 k = 0.0000 0.0000 0.1888 ( 9377 PWs) bands (ev): -94.5177 -94.5177 -94.5149 -94.5149 -40.2670 -40.2670 -40.2595 -40.2595 -6.2300 -6.2300 -4.5105 -4.5105 1.6696 1.6696 2.8450 2.8450 2.8657 2.8657 4.1823 4.1823 5.5169 5.5169 5.5536 5.5536 7.1574 7.1574 8.4158 8.4158 8.8393 8.8393 11.1118 11.1118 k = 0.0000 0.0000 0.1999 ( 9353 PWs) bands (ev): -94.5177 -94.5177 -94.5149 -94.5149 -40.2670 -40.2670 -40.2595 -40.2595 -6.2230 -6.2230 -4.5285 -4.5285 1.7665 1.7665 2.8515 2.8515 2.8722 2.8722 4.0638 4.0638 5.4942 5.4942 5.5307 5.5307 7.1416 7.1416 8.4314 8.4314 8.8195 8.8195 11.1964 11.1964 k = 0.0000 0.0000 0.2110 ( 9361 PWs) bands (ev): -94.5177 -94.5177 -94.5149 -94.5149 -40.2670 -40.2670 -40.2595 -40.2595 -6.2164 -6.2164 -4.5454 -4.5454 1.8660 1.8660 2.8577 2.8577 2.8784 2.8784 3.9442 3.9442 5.4731 5.4731 5.5095 5.5095 7.1277 7.1277 8.4474 8.4474 8.7994 8.7994 11.2514 11.2514 k = 0.0000 0.0000 0.2221 ( 9377 PWs) bands (ev): -94.5177 -94.5177 -94.5149 -94.5149 -40.2670 -40.2670 -40.2595 -40.2595 -6.2103 -6.2103 -4.5608 -4.5608 1.9673 1.9673 2.8634 2.8634 2.8841 2.8841 3.8245 3.8245 5.4538 5.4538 5.4901 5.4901 7.1157 7.1157 8.4639 8.4639 8.7793 8.7793 11.2923 11.2923 k = 0.0000 0.0000 0.2332 ( 9393 PWs) bands (ev): -94.5177 -94.5177 -94.5149 -94.5149 -40.2670 -40.2670 -40.2595 -40.2595 -6.2047 -6.2047 -4.5747 -4.5747 2.0697 2.0697 2.8686 2.8686 2.8892 2.8892 3.7059 3.7059 5.4367 5.4367 5.4729 5.4729 7.1054 7.1054 8.4804 8.4804 8.7593 8.7593 11.3252 11.3253 k = 0.0000 0.0000 0.2443 ( 9385 PWs) bands (ev): -94.5177 -94.5177 -94.5149 -94.5149 -40.2670 -40.2670 -40.2595 -40.2595 -6.1998 -6.1998 -4.5868 -4.5868 2.1718 2.1718 2.8732 2.8732 2.8937 2.8937 3.5897 3.5897 5.4218 5.4218 5.4579 5.4579 7.0968 7.0968 8.4972 8.4972 8.7397 8.7397 11.3513 11.3513 k = 0.0000 0.0000 0.2554 ( 9384 PWs) bands (ev): -94.5177 -94.5177 -94.5149 -94.5149 -40.2670 -40.2670 -40.2595 -40.2595 -6.1956 -6.1956 -4.5969 -4.5969 2.2715 2.2715 2.8770 2.8770 2.8976 2.8976 3.4783 3.4783 5.4094 5.4094 5.4454 5.4454 7.0899 7.0899 8.5135 8.5135 8.7209 8.7209 11.3713 11.3713 k = 0.0000 0.0000 0.2665 ( 9392 PWs) bands (ev): -94.5177 -94.5177 -94.5149 -94.5149 -40.2670 -40.2670 -40.2595 -40.2595 -6.1923 -6.1923 -4.6049 -4.6049 2.3653 2.3653 2.8801 2.8801 2.9006 2.9006 3.3751 3.3751 5.3996 5.3996 5.4356 5.4356 7.0845 7.0845 8.5289 8.5289 8.7036 8.7036 11.3860 11.3860 k = 0.0000 0.0000 0.2776 ( 9396 PWs) bands (ev): -94.5177 -94.5177 -94.5149 -94.5149 -40.2670 -40.2670 -40.2595 -40.2595 -6.1898 -6.1898 -4.6107 -4.6107 2.4470 2.4470 2.8824 2.8824 2.9028 2.9028 3.2866 3.2866 5.3925 5.3925 5.4284 5.4284 7.0807 7.0807 8.5422 8.5422 8.6889 8.6889 11.3960 11.3960 k = 0.0000 0.0000 0.2887 ( 9404 PWs) bands (ev): -94.5177 -94.5177 -94.5149 -94.5149 -40.2670 -40.2670 -40.2595 -40.2595 -6.1884 -6.1884 -4.6142 -4.6142 2.5059 2.5059 2.8839 2.8839 2.9041 2.9041 3.2235 3.2235 5.3882 5.3882 5.4241 5.4241 7.0785 7.0785 8.5518 8.5518 8.6785 8.6785 11.4018 11.4018 k = 0.0000 0.0000 0.2998 ( 9404 PWs) bands (ev): -94.5177 -94.5177 -94.5149 -94.5149 -40.2670 -40.2670 -40.2595 -40.2595 -6.1879 -6.1879 -4.6154 -4.6154 2.5281 2.5281 2.8844 2.8844 2.9046 2.9046 3.2000 3.2000 5.3868 5.3868 5.4227 5.4227 7.0777 7.0777 8.5554 8.5554 8.6746 8.6746 11.4037 11.4037 k = 0.0000 0.0000 0.2998 ( 9404 PWs) bands (ev): -94.5177 -94.5177 -94.5149 -94.5149 -40.2670 -40.2670 -40.2595 -40.2595 -6.1879 -6.1879 -4.6154 -4.6154 2.5281 2.5281 2.8844 2.8844 2.9046 2.9046 3.2000 3.2000 5.3868 5.3868 5.4227 5.4227 7.0777 7.0777 8.5554 8.5554 8.6746 8.6746 11.4037 11.4037 k = 0.0000 0.0114 0.2998 ( 9406 PWs) bands (ev): -94.5177 -94.5177 -94.5149 -94.5149 -40.2670 -40.2670 -40.2595 -40.2595 -6.1869 -6.1869 -4.6148 -4.6148 2.5275 2.5275 2.8741 2.8741 2.9002 2.9002 3.2096 3.2096 5.3825 5.3825 5.4193 5.4193 7.0840 7.0840 8.5597 8.5597 8.6826 8.6826 11.4052 11.4052 k = 0.0000 0.0227 0.2998 ( 9402 PWs) bands (ev): -94.5177 -94.5177 -94.5149 -94.5149 -40.2670 -40.2670 -40.2595 -40.2595 -6.1840 -6.1840 -4.6131 -4.6131 2.5259 2.5259 2.8346 2.8346 2.9006 2.9006 3.2340 3.2340 5.3648 5.3648 5.4143 5.4143 7.1025 7.1025 8.5727 8.5727 8.7060 8.7060 11.4095 11.4095 k = 0.0000 0.0341 0.2998 ( 9386 PWs) bands (ev): -94.5177 -94.5177 -94.5149 -94.5149 -40.2670 -40.2670 -40.2595 -40.2595 -6.1791 -6.1791 -4.6101 -4.6101 2.5230 2.5230 2.7740 2.7740 2.9057 2.9057 3.2654 3.2654 5.3293 5.3293 5.4132 5.4132 7.1324 7.1324 8.5948 8.5948 8.7437 8.7437 11.4166 11.4166 k = 0.0000 0.0455 0.2998 ( 9374 PWs) bands (ev): -94.5177 -94.5177 -94.5149 -94.5149 -40.2669 -40.2669 -40.2595 -40.2595 -6.1723 -6.1723 -4.6061 -4.6061 2.5187 2.5187 2.7000 2.7000 2.9136 2.9136 3.2989 3.2989 5.2785 5.2785 5.4151 5.4151 7.1723 7.1723 8.6266 8.6266 8.7940 8.7940 11.4262 11.4262 k = 0.0000 0.0568 0.2998 ( 9370 PWs) bands (ev): -94.5177 -94.5177 -94.5149 -94.5149 -40.2669 -40.2669 -40.2595 -40.2595 -6.1635 -6.1635 -4.6009 -4.6009 2.5128 2.5128 2.6164 2.6164 2.9239 2.9239 3.3321 3.3321 5.2153 5.2153 5.4187 5.4187 7.2204 7.2204 8.6686 8.6686 8.8544 8.8544 11.4376 11.4376 k = 0.0000 0.0682 0.2998 ( 9376 PWs) bands (ev): -94.5176 -94.5176 -94.5149 -94.5149 -40.2669 -40.2669 -40.2595 -40.2595 -6.1528 -6.1528 -4.5946 -4.5946 2.5028 2.5028 2.5276 2.5276 2.9367 2.9367 3.3644 3.3644 5.1423 5.1423 5.4236 5.4236 7.2747 7.2747 8.7219 8.7219 8.9226 8.9226 11.4423 11.4423 k = 0.0000 0.0795 0.2998 ( 9370 PWs) bands (ev): -94.5176 -94.5176 -94.5149 -94.5149 -40.2668 -40.2668 -40.2595 -40.2595 -6.1401 -6.1401 -4.5873 -4.5873 2.4255 2.4255 2.4979 2.4979 2.9518 2.9518 3.3954 3.3954 5.0620 5.0620 5.4295 5.4295 7.3328 7.3328 8.7874 8.7874 8.9959 8.9959 11.3426 11.3426 k = 0.0000 0.0909 0.2998 ( 9360 PWs) bands (ev): -94.5176 -94.5176 -94.5149 -94.5149 -40.2668 -40.2668 -40.2595 -40.2595 -6.1256 -6.1256 -4.5790 -4.5790 2.3232 2.3232 2.4857 2.4857 2.9693 2.9693 3.4253 3.4253 4.9763 4.9763 5.4363 5.4363 7.3928 7.3928 8.8661 8.8661 9.0717 9.0717 11.2370 11.2370 k = 0.0000 0.1023 0.2998 ( 9358 PWs) bands (ev): -94.5176 -94.5176 -94.5149 -94.5149 -40.2667 -40.2667 -40.2596 -40.2596 -6.1092 -6.1092 -4.5697 -4.5697 2.2165 2.2165 2.4712 2.4712 2.9890 2.9890 3.4542 3.4542 4.8874 4.8874 5.4438 5.4438 7.4526 7.4526 8.9587 8.9587 9.1477 9.1477 11.1291 11.1291 k = 0.0000 0.1136 0.2998 ( 9356 PWs) bands (ev): -94.5176 -94.5176 -94.5150 -94.5150 -40.2666 -40.2666 -40.2596 -40.2596 -6.0908 -6.0908 -4.5596 -4.5596 2.1066 2.1066 2.4537 2.4537 3.0111 3.0111 3.4826 3.4826 4.7971 4.7971 5.4519 5.4519 7.5108 7.5108 9.0654 9.0654 9.2217 9.2217 11.0199 11.0199 k = 0.0000 0.1250 0.2998 ( 9360 PWs) bands (ev): -94.5176 -94.5176 -94.5150 -94.5150 -40.2666 -40.2666 -40.2596 -40.2596 -6.0706 -6.0706 -4.5487 -4.5487 1.9943 1.9943 2.4325 2.4325 3.0354 3.0354 3.5106 3.5106 4.7071 4.7071 5.4605 5.4605 7.5661 7.5661 9.1863 9.1863 9.2917 9.2917 10.9101 10.9101 k = 0.0000 0.1364 0.2998 ( 9372 PWs) bands (ev): -94.5176 -94.5176 -94.5150 -94.5150 -40.2665 -40.2665 -40.2596 -40.2596 -6.0486 -6.0486 -4.5370 -4.5370 1.8804 1.8804 2.4072 2.4072 3.0619 3.0619 3.5384 3.5384 4.6189 4.6189 5.4696 5.4696 7.6181 7.6181 9.3209 9.3209 9.3561 9.3561 10.8003 10.8003 k = 0.0000 0.1477 0.2998 ( 9376 PWs) bands (ev): -94.5175 -94.5175 -94.5150 -94.5150 -40.2664 -40.2664 -40.2597 -40.2597 -6.0247 -6.0247 -4.5247 -4.5247 1.7655 1.7655 2.3772 2.3772 3.0907 3.0907 3.5662 3.5662 4.5339 4.5339 5.4789 5.4789 7.6664 7.6664 9.4138 9.4138 9.4689 9.4689 10.6910 10.6910 k = 0.0000 0.1591 0.2998 ( 9380 PWs) bands (ev): -94.5175 -94.5175 -94.5150 -94.5150 -40.2663 -40.2663 -40.2597 -40.2597 -5.9990 -5.9990 -4.5119 -4.5119 1.6505 1.6505 2.3421 2.3421 3.1217 3.1217 3.5941 3.5941 4.4534 4.4534 5.4883 5.4883 7.7112 7.7112 9.4638 9.4638 9.6293 9.6293 10.5825 10.5825 k = 0.0000 0.1705 0.2998 ( 9386 PWs) bands (ev): -94.5175 -94.5175 -94.5151 -94.5151 -40.2662 -40.2662 -40.2598 -40.2598 -5.9716 -5.9716 -4.4987 -4.4987 1.5357 1.5357 2.3013 2.3013 3.1550 3.1550 3.6222 3.6222 4.3784 4.3784 5.4976 5.4976 7.7526 7.7526 9.5055 9.5055 9.8010 9.8010 10.4754 10.4754 k = 0.0000 0.1818 0.2998 ( 9390 PWs) bands (ev): -94.5175 -94.5175 -94.5151 -94.5151 -40.2661 -40.2661 -40.2598 -40.2598 -5.9424 -5.9424 -4.4852 -4.4852 1.4219 1.4219 2.2545 2.2545 3.1903 3.1903 3.6506 3.6506 4.3099 4.3099 5.5066 5.5066 7.7912 7.7912 9.5389 9.5389 9.9831 9.9831 10.3697 10.3697 k = 0.0000 0.1932 0.2998 ( 9386 PWs) bands (ev): -94.5174 -94.5174 -94.5151 -94.5151 -40.2660 -40.2660 -40.2598 -40.2598 -5.9115 -5.9115 -4.4715 -4.4715 1.3095 1.3095 2.2016 2.2016 3.2279 3.2279 3.6794 3.6794 4.2484 4.2484 5.5152 5.5152 7.8272 7.8272 9.5638 9.5638 10.1747 10.1747 10.2660 10.2660 k = 0.0000 0.2045 0.2998 ( 9404 PWs) bands (ev): -94.5174 -94.5174 -94.5152 -94.5152 -40.2659 -40.2659 -40.2599 -40.2599 -5.8789 -5.8789 -4.4578 -4.4578 1.1990 1.1990 2.1425 2.1425 3.2675 3.2675 3.7085 3.7085 4.1944 4.1944 5.5232 5.5232 7.8611 7.8611 9.5805 9.5805 10.1645 10.1645 10.3747 10.3747 k = 0.0000 0.2159 0.2998 ( 9406 PWs) bands (ev): -94.5174 -94.5174 -94.5152 -94.5152 -40.2658 -40.2658 -40.2599 -40.2599 -5.8447 -5.8447 -4.4444 -4.4444 1.0908 1.0908 2.0773 2.0773 3.3092 3.3092 3.7379 3.7379 4.1481 4.1481 5.5303 5.5303 7.8932 7.8932 9.5893 9.5893 10.0655 10.0655 10.5825 10.5825 k = 0.0000 0.2273 0.2998 ( 9398 PWs) bands (ev): -94.5173 -94.5173 -94.5152 -94.5152 -40.2657 -40.2657 -40.2600 -40.2600 -5.8089 -5.8089 -4.4312 -4.4312 0.9854 0.9854 2.0064 2.0064 3.3529 3.3529 3.7676 3.7676 4.1093 4.1093 5.5362 5.5362 7.9237 7.9237 9.5906 9.5906 9.9692 9.9692 10.7614 10.7614 k = 0.0000 0.2386 0.2998 ( 9398 PWs) bands (ev): -94.5173 -94.5173 -94.5152 -94.5152 -40.2656 -40.2656 -40.2600 -40.2600 -5.7716 -5.7716 -4.4186 -4.4186 0.8832 0.8832 1.9302 1.9302 3.3987 3.3987 3.7975 3.7975 4.0779 4.0779 5.5407 5.5407 7.9530 7.9530 9.5848 9.5848 9.8761 9.8761 10.6556 10.6556 k = 0.0000 0.2500 0.2998 ( 9398 PWs) bands (ev): -94.5173 -94.5173 -94.5153 -94.5153 -40.2654 -40.2654 -40.2601 -40.2601 -5.7327 -5.7327 -4.4067 -4.4067 0.7847 0.7847 1.8495 1.8495 3.4464 3.4464 3.8275 3.8275 4.0534 4.0534 5.5435 5.5435 7.9813 7.9813 9.5722 9.5722 9.7864 9.7864 10.5542 10.5542 k = 0.0000 0.2614 0.2998 ( 9398 PWs) bands (ev): -94.5172 -94.5172 -94.5153 -94.5153 -40.2653 -40.2653 -40.2602 -40.2602 -5.6925 -5.6925 -4.3957 -4.3957 0.6900 0.6900 1.7647 1.7647 3.4959 3.4959 3.8575 3.8575 4.0353 4.0353 5.5445 5.5445 8.0085 8.0085 9.5533 9.5533 9.7004 9.7004 10.4576 10.4576 k = 0.0000 0.2727 0.2998 ( 9398 PWs) bands (ev): -94.5172 -94.5172 -94.5154 -94.5154 -40.2652 -40.2652 -40.2602 -40.2602 -5.6508 -5.6508 -4.3859 -4.3859 0.5998 0.5998 1.6767 1.6767 3.5474 3.5474 3.8874 3.8874 4.0231 4.0231 5.5431 5.5431 8.0349 8.0349 9.5283 9.5283 9.6185 9.6185 10.3665 10.3665 k = 0.0000 0.2841 0.2998 ( 9378 PWs) bands (ev): -94.5172 -94.5172 -94.5154 -94.5154 -40.2650 -40.2650 -40.2603 -40.2603 -5.6079 -5.6079 -4.3774 -4.3774 0.5143 0.5143 1.5862 1.5862 3.6006 3.6006 3.9172 3.9172 4.0161 4.0161 5.5393 5.5393 8.0606 8.0606 9.4977 9.4977 9.5410 9.5410 10.2812 10.2812 k = 0.0000 0.2955 0.2998 ( 9372 PWs) bands (ev): -94.5171 -94.5171 -94.5154 -94.5154 -40.2649 -40.2649 -40.2604 -40.2604 -5.5638 -5.5638 -4.3705 -4.3705 0.4338 0.4338 1.4938 1.4938 3.6555 3.6555 3.9465 3.9465 4.0138 4.0138 5.5327 5.5327 8.0854 8.0854 9.4616 9.4616 9.4682 9.4682 10.2021 10.2021 k = 0.0000 0.3068 0.2998 ( 9372 PWs) bands (ev): -94.5171 -94.5171 -94.5155 -94.5155 -40.2647 -40.2647 -40.2604 -40.2604 -5.5185 -5.5185 -4.3655 -4.3655 0.3587 0.3587 1.4003 1.4003 3.7121 3.7121 3.9752 3.9752 4.0156 4.0156 5.5231 5.5231 8.1095 8.1095 9.4006 9.4006 9.4204 9.4204 10.1298 10.1298 k = 0.0000 0.3182 0.2998 ( 9360 PWs) bands (ev): -94.5170 -94.5170 -94.5155 -94.5155 -40.2646 -40.2646 -40.2605 -40.2605 -5.4721 -5.4721 -4.3625 -4.3625 0.2894 0.2894 1.3063 1.3063 3.7703 3.7703 4.0029 4.0029 4.0212 4.0212 5.5101 5.5101 8.1327 8.1327 9.3385 9.3385 9.3744 9.3744 10.0645 10.0645 k = 0.0000 0.3295 0.2998 ( 9352 PWs) bands (ev): -94.5170 -94.5170 -94.5156 -94.5156 -40.2644 -40.2644 -40.2606 -40.2606 -5.4248 -5.4248 -4.3618 -4.3618 0.2260 0.2260 1.2123 1.2123 3.8299 3.8299 4.0258 4.0258 4.0338 4.0338 5.4937 5.4937 8.1550 8.1550 9.2822 9.2822 9.3239 9.3239 10.0065 10.0065 k = 0.0000 0.3409 0.2998 ( 9358 PWs) bands (ev): -94.5169 -94.5169 -94.5156 -94.5156 -40.2643 -40.2643 -40.2607 -40.2607 -5.3766 -5.3766 -4.3635 -4.3635 0.1690 0.1690 1.1188 1.1188 3.8908 3.8908 4.0384 4.0384 4.0581 4.0581 5.4736 5.4736 8.1765 8.1765 9.2321 9.2321 9.2694 9.2694 9.9399 9.9399 k = 0.0000 0.3523 0.2998 ( 9366 PWs) bands (ev): -94.5169 -94.5169 -94.5156 -94.5156 -40.2642 -40.2642 -40.2608 -40.2608 -5.3278 -5.3278 -4.3680 -4.3680 0.1184 0.1184 1.0264 1.0264 3.9528 3.9528 4.0514 4.0514 4.0829 4.0829 5.4498 5.4498 8.1969 8.1969 9.1886 9.1886 9.2115 9.2115 9.8653 9.8653 k = 0.0000 0.3636 0.2998 ( 9362 PWs) bands (ev): -94.5169 -94.5169 -94.5157 -94.5157 -40.2640 -40.2640 -40.2609 -40.2609 -5.2783 -5.2783 -4.3752 -4.3752 0.0746 0.0746 0.9355 0.9355 4.0152 4.0152 4.0666 4.0666 4.1065 4.1065 5.4220 5.4220 8.2165 8.2165 9.1508 9.1508 9.1521 9.1521 9.7951 9.7951 k = 0.0000 0.3750 0.2998 ( 9366 PWs) bands (ev): -94.5168 -94.5168 -94.5157 -94.5157 -40.2639 -40.2639 -40.2610 -40.2610 -5.2283 -5.2283 -4.3854 -4.3854 0.0378 0.0378 0.8466 0.8466 4.0699 4.0699 4.0913 4.0913 4.1288 4.1288 5.3903 5.3903 8.2352 8.2352 9.0887 9.0887 9.1222 9.1222 9.7290 9.7290 k = 0.0000 0.3864 0.2998 ( 9376 PWs) bands (ev): -94.5168 -94.5168 -94.5158 -94.5158 -40.2637 -40.2637 -40.2611 -40.2611 -5.1780 -5.1780 -4.3987 -4.3987 0.0080 0.0080 0.7599 0.7599 4.0931 4.0931 4.1426 4.1426 4.1560 4.1560 5.3548 5.3548 8.2532 8.2532 9.0253 9.0253 9.0996 9.0996 9.6667 9.6667 k = 0.0000 0.3977 0.2998 ( 9376 PWs) bands (ev): -94.5167 -94.5167 -94.5158 -94.5158 -40.2636 -40.2636 -40.2612 -40.2612 -5.1275 -5.1275 -4.4151 -4.4151 -0.0147 -0.0147 0.6760 0.6760 4.1104 4.1104 4.1651 4.1651 4.2171 4.2171 5.3154 5.3154 8.2707 8.2707 8.9618 8.9618 9.0840 9.0840 9.6080 9.6080 k = 0.0000 0.4091 0.2998 ( 9376 PWs) bands (ev): -94.5167 -94.5167 -94.5159 -94.5159 -40.2634 -40.2634 -40.2613 -40.2613 -5.0769 -5.0769 -4.4346 -4.4346 -0.0301 -0.0301 0.5951 0.5951 4.1270 4.1270 4.1815 4.1815 4.2836 4.2836 5.2723 5.2723 8.2883 8.2883 8.8990 8.8990 9.0753 9.0753 9.5525 9.5525 k = 0.0000 0.4205 0.2998 ( 9380 PWs) bands (ev): -94.5166 -94.5166 -94.5159 -94.5159 -40.2633 -40.2633 -40.2614 -40.2614 -5.0266 -5.0266 -4.4573 -4.4573 -0.0383 -0.0383 0.5177 0.5177 4.1431 4.1431 4.1954 4.1954 4.3510 4.3510 5.2257 5.2257 8.3062 8.3062 8.8375 8.8375 9.0732 9.0732 9.4999 9.4999 k = 0.0000 0.4318 0.2998 ( 9378 PWs) bands (ev): -94.5166 -94.5166 -94.5160 -94.5160 -40.2631 -40.2631 -40.2615 -40.2615 -4.9766 -4.9766 -4.4831 -4.4831 -0.0393 -0.0393 0.4439 0.4439 4.1585 4.1585 4.2068 4.2068 4.4189 4.4189 5.1758 5.1758 8.3251 8.3251 8.7781 8.7781 9.0773 9.0773 9.4500 9.4500 k = 0.0000 0.4432 0.2998 ( 9382 PWs) bands (ev): -94.5165 -94.5165 -94.5160 -94.5160 -40.2630 -40.2630 -40.2616 -40.2616 -4.9272 -4.9272 -4.5120 -4.5120 -0.0333 -0.0333 0.3743 0.3743 4.1729 4.1729 4.2156 4.2156 4.4869 4.4869 5.1229 5.1229 8.3455 8.3455 8.7213 8.7213 9.0871 9.0871 9.4028 9.4028 k = 0.0000 0.4545 0.2998 ( 9386 PWs) bands (ev): -94.5165 -94.5165 -94.5161 -94.5161 -40.2628 -40.2628 -40.2618 -40.2618 -4.8785 -4.8785 -4.5437 -4.5437 -0.0203 -0.0203 0.3089 0.3089 4.1861 4.1861 4.2220 4.2220 4.5550 4.5550 5.0671 5.0671 8.3680 8.3680 8.6674 8.6674 9.1021 9.1021 9.3580 9.3580 k = 0.0000 0.4659 0.2998 ( 9386 PWs) bands (ev): -94.5164 -94.5164 -94.5161 -94.5161 -40.2627 -40.2627 -40.2619 -40.2619 -4.8308 -4.8308 -4.5781 -4.5781 -0.0005 -0.0005 0.2483 0.2483 4.1979 4.1979 4.2257 4.2257 4.6227 4.6227 5.0088 5.0088 8.3931 8.3931 8.6170 8.6170 9.1218 9.1218 9.3156 9.3156 k = 0.0000 0.4773 0.2998 ( 9390 PWs) bands (ev): -94.5164 -94.5164 -94.5162 -94.5162 -40.2626 -40.2626 -40.2620 -40.2620 -4.7843 -4.7843 -4.6151 -4.6151 0.0259 0.0259 0.1927 0.1927 4.2079 4.2079 4.2269 4.2269 4.6900 4.6900 4.9483 4.9483 8.4213 8.4213 8.5702 8.5702 9.1457 9.1457 9.2759 9.2759 k = 0.0000 0.4886 0.2998 ( 9398 PWs) bands (ev): -94.5163 -94.5163 -94.5162 -94.5162 -40.2624 -40.2624 -40.2621 -40.2621 -4.7392 -4.7392 -4.6544 -4.6544 0.0587 0.0587 0.1424 0.1424 4.2160 4.2160 4.2256 4.2256 4.7564 4.7564 4.8859 4.8859 8.4529 8.4529 8.5273 8.5273 9.1734 9.1734 9.2388 9.2388 k = 0.0000 0.5000 0.2998 ( 9400 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2623 -40.2623 -40.2623 -40.2623 -4.6959 -4.6959 -4.6959 -4.6959 0.0976 0.0976 0.0976 0.0976 4.2219 4.2219 4.2219 4.2219 4.8218 4.8218 4.8218 4.8218 8.4882 8.4882 8.4882 8.4882 9.2046 9.2046 9.2046 9.2046 k = 0.0000 0.5000 0.2998 ( 9400 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2623 -40.2623 -40.2623 -40.2623 -4.6959 -4.6959 -4.6959 -4.6959 0.0976 0.0976 0.0976 0.0976 4.2219 4.2219 4.2219 4.2219 4.8218 4.8218 4.8218 4.8218 8.4882 8.4882 8.4882 8.4882 9.2046 9.2046 9.2046 9.2046 k = 0.0114 0.5000 0.2998 ( 9392 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2623 -40.2623 -40.2623 -40.2623 -4.6950 -4.6950 -4.6950 -4.6950 0.0985 0.0985 0.0985 0.0985 4.2182 4.2182 4.2208 4.2208 4.8138 4.8138 4.8167 4.8167 8.4860 8.4860 8.4860 8.4860 9.2146 9.2146 9.2147 9.2147 k = 0.0227 0.5000 0.2998 ( 9396 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2623 -40.2623 -40.2623 -40.2623 -4.6924 -4.6924 -4.6924 -4.6924 0.1013 0.1013 0.1013 0.1013 4.2095 4.2095 4.2147 4.2147 4.7928 4.7928 4.7987 4.7987 8.4796 8.4796 8.4796 8.4796 9.2446 9.2446 9.2446 9.2446 k = 0.0341 0.5000 0.2998 ( 9396 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2623 -40.2623 -40.2623 -40.2623 -4.6881 -4.6881 -4.6881 -4.6881 0.1060 0.1060 0.1060 0.1060 4.1952 4.1952 4.2031 4.2031 4.7602 4.7602 4.7691 4.7691 8.4689 8.4689 8.4689 8.4689 9.2935 9.2935 9.2936 9.2936 k = 0.0455 0.5000 0.2998 ( 9396 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2623 -40.2623 -40.2623 -40.2623 -4.6821 -4.6821 -4.6820 -4.6820 0.1125 0.1125 0.1126 0.1126 4.1745 4.1745 4.1853 4.1853 4.7177 4.7177 4.7299 4.7299 8.4540 8.4540 8.4541 8.4541 9.3599 9.3599 9.3600 9.3600 k = 0.0568 0.5000 0.2998 ( 9388 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2623 -40.2623 -40.2623 -40.2623 -4.6744 -4.6744 -4.6743 -4.6743 0.1209 0.1209 0.1210 0.1210 4.1461 4.1461 4.1600 4.1600 4.6679 4.6679 4.6834 4.6834 8.4353 8.4353 8.4354 8.4354 9.4416 9.4416 9.4416 9.4416 k = 0.0682 0.5000 0.2998 ( 9404 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2622 -40.2622 -40.2622 -40.2622 -4.6650 -4.6650 -4.6649 -4.6649 0.1311 0.1311 0.1312 0.1312 4.1086 4.1086 4.1255 4.1255 4.6140 4.6140 4.6328 4.6328 8.4128 8.4128 8.4130 8.4130 9.5350 9.5350 9.5350 9.5350 k = 0.0795 0.5000 0.2998 ( 9392 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2622 -40.2622 -40.2622 -40.2622 -4.6539 -4.6539 -4.6538 -4.6538 0.1431 0.1431 0.1432 0.1432 4.0604 4.0604 4.0800 4.0800 4.5593 4.5593 4.5809 4.5809 8.3871 8.3871 8.3874 8.3874 9.6350 9.6350 9.6351 9.6351 k = 0.0909 0.5000 0.2998 ( 9384 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2622 -40.2622 -40.2622 -40.2622 -4.6412 -4.6412 -4.6410 -4.6410 0.1570 0.1570 0.1571 0.1571 4.0004 4.0004 4.0219 4.0219 4.5066 4.5066 4.5304 4.5304 8.3587 8.3587 8.3590 8.3590 9.7328 9.7328 9.7328 9.7328 k = 0.1023 0.5000 0.2998 ( 9384 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2622 -40.2622 -40.2622 -40.2622 -4.6269 -4.6269 -4.6267 -4.6267 0.1726 0.1726 0.1727 0.1727 3.9284 3.9284 3.9508 3.9508 4.4579 4.4579 4.4828 4.4828 8.3280 8.3280 8.3284 8.3284 9.8146 9.8146 9.8149 9.8149 k = 0.1136 0.5000 0.2998 ( 9368 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2622 -40.2622 -40.2622 -40.2622 -4.6110 -4.6110 -4.6107 -4.6107 0.1900 0.1900 0.1901 0.1901 3.8449 3.8449 3.8675 3.8675 4.4135 4.4135 4.4387 4.4387 8.2956 8.2956 8.2961 8.2961 9.8707 9.8707 9.8716 9.8716 k = 0.1250 0.5000 0.2998 ( 9372 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2621 -40.2621 -40.2621 -40.2621 -4.5936 -4.5936 -4.5933 -4.5933 0.2091 0.2091 0.2092 0.2092 3.7516 3.7516 3.7736 3.7736 4.3729 4.3729 4.3976 4.3976 8.2623 8.2623 8.2629 8.2629 9.9045 9.9045 9.9060 9.9060 k = 0.1364 0.5000 0.2998 ( 9396 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2621 -40.2621 -40.2621 -40.2621 -4.5746 -4.5746 -4.5743 -4.5743 0.2299 0.2299 0.2300 0.2300 3.6503 3.6503 3.6713 3.6713 4.3347 4.3347 4.3586 4.3586 8.2286 8.2286 8.2293 8.2293 9.9257 9.9257 9.9276 9.9276 k = 0.1477 0.5000 0.2998 ( 9392 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2621 -40.2621 -40.2621 -40.2621 -4.5542 -4.5542 -4.5539 -4.5539 0.2523 0.2523 0.2524 0.2524 3.5427 3.5427 3.5628 3.5628 4.2978 4.2978 4.3208 4.3208 8.1952 8.1952 8.1961 8.1961 9.9408 9.9408 9.9431 9.9431 k = 0.1591 0.5000 0.2998 ( 9396 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2621 -40.2621 -40.2621 -40.2621 -4.5325 -4.5325 -4.5321 -4.5321 0.2764 0.2764 0.2764 0.2764 3.4307 3.4307 3.4497 3.4497 4.2611 4.2611 4.2830 4.2830 8.1629 8.1629 8.1638 8.1638 9.9534 9.9534 9.9559 9.9559 k = 0.1705 0.5000 0.2998 ( 9400 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2620 -40.2620 -40.2620 -40.2620 -4.5093 -4.5093 -4.5089 -4.5089 0.3019 0.3019 0.3019 0.3019 3.3156 3.3156 3.3335 3.3335 4.2238 4.2238 4.2447 4.2447 8.1321 8.1321 8.1331 8.1331 9.9652 9.9652 9.9679 9.9679 k = 0.1818 0.5000 0.2998 ( 9412 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2620 -40.2620 -40.2620 -40.2620 -4.4849 -4.4849 -4.4845 -4.4845 0.3289 0.3289 0.3289 0.3289 3.1986 3.1986 3.2156 3.2156 4.1851 4.1851 4.2050 4.2050 8.1035 8.1035 8.1046 8.1046 9.9771 9.9771 9.9800 9.9800 k = 0.1932 0.5000 0.2998 ( 9408 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2620 -40.2620 -40.2620 -40.2620 -4.4593 -4.4593 -4.4589 -4.4589 0.3572 0.3572 0.3573 0.3573 3.0808 3.0808 3.0970 3.0970 4.1446 4.1446 4.1637 4.1637 8.0776 8.0776 8.0788 8.0788 9.9897 9.9897 9.9927 9.9927 k = 0.2045 0.5000 0.2998 ( 9412 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2620 -40.2620 -40.2620 -40.2620 -4.4325 -4.4325 -4.4321 -4.4321 0.3868 0.3868 0.3870 0.3870 2.9629 2.9629 2.9784 2.9784 4.1020 4.1020 4.1203 4.1203 8.0549 8.0549 8.0562 8.0562 10.0030 10.0030 10.0062 10.0062 k = 0.2159 0.5000 0.2998 ( 9412 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2619 -40.2619 -40.2619 -40.2619 -4.4047 -4.4047 -4.4043 -4.4043 0.4175 0.4175 0.4178 0.4178 2.8458 2.8458 2.8607 2.8607 4.0571 4.0571 4.0747 4.0747 8.0358 8.0358 8.0371 8.0371 10.0174 10.0174 10.0206 10.0206 k = 0.2273 0.5000 0.2998 ( 9404 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2619 -40.2619 -40.2619 -40.2619 -4.3760 -4.3760 -4.3755 -4.3755 0.4493 0.4493 0.4496 0.4496 2.7302 2.7302 2.7445 2.7445 4.0097 4.0097 4.0267 4.0267 8.0207 8.0207 8.0220 8.0220 10.0327 10.0327 10.0360 10.0360 k = 0.2386 0.5000 0.2998 ( 9408 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2619 -40.2619 -40.2619 -40.2619 -4.3464 -4.3464 -4.3459 -4.3459 0.4817 0.4817 0.4822 0.4822 2.6166 2.6166 2.6305 2.6305 3.9597 3.9597 3.9761 3.9761 8.0098 8.0098 8.0111 8.0111 10.0490 10.0490 10.0524 10.0524 k = 0.2500 0.5000 0.2998 ( 9416 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2618 -40.2618 -40.2618 -40.2618 -4.3161 -4.3161 -4.3156 -4.3156 0.5148 0.5148 0.5154 0.5154 2.5057 2.5057 2.5193 2.5193 3.9073 3.9073 3.9231 3.9231 8.0033 8.0033 8.0046 8.0046 10.0661 10.0661 10.0696 10.0696 k = 0.2614 0.5000 0.2998 ( 9420 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2618 -40.2618 -40.2618 -40.2618 -4.2851 -4.2851 -4.2846 -4.2846 0.5482 0.5482 0.5489 0.5489 2.3982 2.3982 2.4115 2.4115 3.8524 3.8524 3.8677 3.8677 8.0013 8.0013 8.0026 8.0026 10.0840 10.0840 10.0876 10.0876 k = 0.2727 0.5000 0.2998 ( 9424 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2618 -40.2618 -40.2618 -40.2618 -4.2537 -4.2537 -4.2532 -4.2532 0.5815 0.5815 0.5824 0.5824 2.2947 2.2947 2.3078 2.3078 3.7952 3.7952 3.8099 3.8099 8.0040 8.0040 8.0053 8.0053 10.1026 10.1026 10.1062 10.1062 k = 0.2841 0.5000 0.2998 ( 9440 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2617 -40.2617 -40.2617 -40.2617 -4.2219 -4.2219 -4.2214 -4.2214 0.6143 0.6143 0.6155 0.6155 2.1958 2.1958 2.2087 2.2087 3.7358 3.7358 3.7500 3.7500 8.0114 8.0114 8.0126 8.0126 10.1216 10.1216 10.1253 10.1253 k = 0.2955 0.5000 0.2998 ( 9440 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2617 -40.2617 -40.2617 -40.2617 -4.1900 -4.1900 -4.1895 -4.1895 0.6462 0.6462 0.6476 0.6476 2.1024 2.1024 2.1153 2.1153 3.6744 3.6744 3.6882 3.6882 8.0233 8.0233 8.0245 8.0245 10.1409 10.1409 10.1447 10.1447 k = 0.3068 0.5000 0.2998 ( 9444 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2617 -40.2617 -40.2617 -40.2617 -4.1580 -4.1580 -4.1575 -4.1575 0.6764 0.6764 0.6780 0.6780 2.0154 2.0154 2.0282 2.0282 3.6112 3.6112 3.6246 3.6246 8.0398 8.0398 8.0409 8.0409 10.1602 10.1602 10.1641 10.1641 k = 0.3182 0.5000 0.2998 ( 9436 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2617 -40.2617 -40.2617 -40.2617 -4.1262 -4.1262 -4.1257 -4.1257 0.7042 0.7042 0.7061 0.7061 1.9357 1.9357 1.9485 1.9485 3.5466 3.5466 3.5595 3.5595 8.0606 8.0606 8.0616 8.0616 10.1793 10.1793 10.1833 10.1833 k = 0.3295 0.5000 0.2998 ( 9432 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2616 -40.2616 -40.2616 -40.2616 -4.0947 -4.0947 -4.0942 -4.0942 0.7286 0.7286 0.7309 0.7309 1.8644 1.8644 1.8772 1.8772 3.4809 3.4809 3.4933 3.4933 8.0856 8.0856 8.0865 8.0865 10.1977 10.1977 10.2018 10.2018 k = 0.3409 0.5000 0.2998 ( 9428 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2616 -40.2616 -40.2616 -40.2616 -4.0638 -4.0638 -4.0633 -4.0633 0.7487 0.7487 0.7513 0.7513 1.8027 1.8027 1.8155 1.8155 3.4142 3.4142 3.4263 3.4263 8.1145 8.1145 8.1153 8.1153 10.2149 10.2149 10.2192 10.2192 k = 0.3523 0.5000 0.2998 ( 9428 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2616 -40.2616 -40.2616 -40.2616 -4.0335 -4.0335 -4.0331 -4.0331 0.7634 0.7634 0.7662 0.7662 1.7518 1.7518 1.7645 1.7645 3.3472 3.3472 3.3588 3.3588 8.1470 8.1470 8.1477 8.1477 10.2303 10.2303 10.2347 10.2347 k = 0.3636 0.5000 0.2998 ( 9432 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2615 -40.2615 -40.2615 -40.2615 -4.0043 -4.0043 -4.0038 -4.0038 0.7719 0.7719 0.7749 0.7749 1.7126 1.7126 1.7251 1.7251 3.2800 3.2800 3.2912 3.2912 8.1828 8.1828 8.1833 8.1833 10.2429 10.2429 10.2475 10.2475 k = 0.3750 0.5000 0.2998 ( 9428 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2615 -40.2615 -40.2615 -40.2615 -3.9762 -3.9762 -3.9758 -3.9758 0.7738 0.7738 0.7768 0.7768 1.6856 1.6856 1.6979 1.6979 3.2132 3.2132 3.2239 3.2239 8.2213 8.2213 8.2218 8.2218 10.2515 10.2515 10.2563 10.2563 k = 0.3864 0.5000 0.2998 ( 9424 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2615 -40.2615 -40.2615 -40.2615 -3.9496 -3.9496 -3.9491 -3.9491 0.7691 0.7691 0.7720 0.7720 1.6707 1.6707 1.6825 1.6825 3.1473 3.1473 3.1575 3.1575 8.2622 8.2622 8.2625 8.2625 10.2541 10.2541 10.2591 10.2591 k = 0.3977 0.5000 0.2998 ( 9424 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2615 -40.2615 -40.2615 -40.2615 -3.9245 -3.9245 -3.9241 -3.9241 0.7588 0.7588 0.7614 0.7614 1.6668 1.6668 1.6781 1.6781 3.0828 3.0828 3.0925 3.0925 8.3047 8.3047 8.3049 8.3049 10.2484 10.2484 10.2535 10.2535 k = 0.4091 0.5000 0.2998 ( 9416 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2615 -40.2615 -40.2615 -40.2615 -3.9014 -3.9014 -3.9010 -3.9010 0.7441 0.7441 0.7464 0.7464 1.6725 1.6725 1.6830 1.6830 3.0204 3.0204 3.0296 3.0296 8.3481 8.3481 8.3483 8.3483 10.2319 10.2319 10.2370 10.2370 k = 0.4205 0.5000 0.2998 ( 9412 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2614 -40.2614 -40.2614 -40.2614 -3.8803 -3.8803 -3.8800 -3.8800 0.7266 0.7266 0.7286 0.7286 1.6856 1.6856 1.6953 1.6953 2.9610 2.9610 2.9695 2.9695 8.3915 8.3915 8.3916 8.3916 10.2034 10.2034 10.2082 10.2082 k = 0.4318 0.5000 0.2998 ( 9400 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2614 -40.2614 -40.2614 -40.2614 -3.8615 -3.8615 -3.8612 -3.8612 0.7080 0.7080 0.7097 0.7097 1.7039 1.7039 1.7126 1.7126 2.9053 2.9053 2.9131 2.9131 8.4339 8.4339 8.4340 8.4340 10.1646 10.1646 10.1688 10.1688 k = 0.4432 0.5000 0.2998 ( 9396 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2614 -40.2614 -40.2614 -40.2614 -3.8453 -3.8453 -3.8450 -3.8450 0.6898 0.6898 0.6912 0.6912 1.7252 1.7252 1.7328 1.7328 2.8546 2.8546 2.8615 2.8615 8.4740 8.4740 8.4740 8.4740 10.1200 10.1200 10.1235 10.1235 k = 0.4545 0.5000 0.2998 ( 9396 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2614 -40.2614 -40.2614 -40.2614 -3.8317 -3.8317 -3.8315 -3.8315 0.6734 0.6734 0.6744 0.6744 1.7471 1.7471 1.7536 1.7536 2.8101 2.8101 2.8160 2.8160 8.5101 8.5101 8.5102 8.5102 10.0752 10.0752 10.0779 10.0779 k = 0.4659 0.5000 0.2998 ( 9388 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2614 -40.2614 -40.2614 -40.2614 -3.8210 -3.8210 -3.8208 -3.8208 0.6596 0.6596 0.6603 0.6603 1.7675 1.7675 1.7726 1.7726 2.7733 2.7733 2.7780 2.7780 8.5408 8.5408 8.5409 8.5409 10.0352 10.0352 10.0371 10.0371 k = 0.4773 0.5000 0.2998 ( 9392 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2614 -40.2614 -40.2614 -40.2614 -3.8132 -3.8132 -3.8131 -3.8131 0.6492 0.6492 0.6497 0.6497 1.7842 1.7842 1.7877 1.7877 2.7458 2.7458 2.7491 2.7491 8.5644 8.5644 8.5644 8.5644 10.0037 10.0037 10.0050 10.0050 k = 0.4886 0.5000 0.2998 ( 9392 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2614 -40.2614 -40.2614 -40.2614 -3.8085 -3.8085 -3.8084 -3.8084 0.6429 0.6429 0.6431 0.6431 1.7955 1.7955 1.7973 1.7973 2.7290 2.7290 2.7307 2.7307 8.5792 8.5792 8.5793 8.5793 9.9838 9.9838 9.9845 9.9845 k = 0.5000 0.5000 0.2998 ( 9392 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2614 -40.2614 -40.2614 -40.2614 -3.8069 -3.8069 -3.8069 -3.8069 0.6408 0.6408 0.6408 0.6408 1.8000 1.8000 1.8000 1.8000 2.7238 2.7238 2.7238 2.7238 8.5843 8.5843 8.5843 8.5843 9.9772 9.9772 9.9772 9.9772 k = 0.5000 0.5000 0.2998 ( 9392 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2614 -40.2614 -40.2614 -40.2614 -3.8069 -3.8069 -3.8069 -3.8069 0.6408 0.6408 0.6408 0.6408 1.8000 1.8000 1.8000 1.8000 2.7238 2.7238 2.7238 2.7238 8.5843 8.5843 8.5843 8.5843 9.9772 9.9772 9.9772 9.9772 k = 0.4919 0.4919 0.2998 ( 9392 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2614 -40.2614 -40.2614 -40.2614 -3.8097 -3.8097 -3.8072 -3.8072 0.6418 0.6418 0.6443 0.6443 1.7914 1.7914 1.8014 1.8014 2.7248 2.7248 2.7349 2.7349 8.5737 8.5737 8.5848 8.5848 9.9785 9.9785 9.9899 9.9899 k = 0.4839 0.4839 0.2998 ( 9404 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2614 -40.2614 -40.2614 -40.2614 -3.8182 -3.8182 -3.8081 -3.8081 0.6447 0.6447 0.6546 0.6546 1.7670 1.7670 1.8053 1.8053 2.7281 2.7281 2.7665 2.7665 8.5429 8.5429 8.5863 8.5863 9.9823 9.9823 10.0269 10.0269 k = 0.4758 0.4758 0.2998 ( 9392 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2614 -40.2614 -40.2614 -40.2614 -3.8323 -3.8323 -3.8097 -3.8097 0.6495 0.6495 0.6717 0.6717 1.7297 1.7297 1.8117 1.8117 2.7335 2.7335 2.8158 2.8158 8.4951 8.4951 8.5887 8.5887 9.9886 9.9886 10.0849 10.0849 k = 0.4677 0.4677 0.2998 ( 9404 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2614 -40.2614 -40.2614 -40.2614 -3.8517 -3.8517 -3.8119 -3.8119 0.6563 0.6563 0.6952 0.6952 1.6832 1.6832 1.8207 1.8207 2.7411 2.7411 2.8790 2.8790 8.4343 8.4343 8.5921 8.5921 9.9976 9.9976 10.1599 10.1599 k = 0.4597 0.4597 0.2998 ( 9402 PWs) bands (ev): -94.5163 -94.5163 -94.5162 -94.5162 -40.2615 -40.2615 -40.2613 -40.2613 -3.8763 -3.8763 -3.8148 -3.8148 0.6651 0.6651 0.7249 0.7249 1.6307 1.6307 1.8323 1.8323 2.7511 2.7511 2.9528 2.9528 8.3643 8.3643 8.5966 8.5966 10.0090 10.0090 10.2481 10.2481 k = 0.4516 0.4516 0.2998 ( 9402 PWs) bands (ev): -94.5163 -94.5163 -94.5162 -94.5162 -40.2615 -40.2615 -40.2613 -40.2613 -3.9057 -3.9057 -3.8184 -3.8184 0.6757 0.6757 0.7603 0.7603 1.5749 1.5749 1.8465 1.8465 2.7633 2.7633 3.0343 3.0343 8.2885 8.2885 8.6021 8.6021 10.0230 10.0230 10.3460 10.3460 k = 0.4435 0.4435 0.2998 ( 9412 PWs) bands (ev): -94.5163 -94.5163 -94.5162 -94.5162 -40.2616 -40.2616 -40.2613 -40.2613 -3.9397 -3.9397 -3.8226 -3.8226 0.6883 0.6883 0.8011 0.8011 1.5176 1.5176 1.8632 1.8632 2.7781 2.7781 3.1215 3.1215 8.2094 8.2094 8.6088 8.6088 10.0395 10.0395 10.4508 10.4508 k = 0.4355 0.4355 0.2998 ( 9420 PWs) bands (ev): -94.5163 -94.5163 -94.5162 -94.5162 -40.2616 -40.2616 -40.2613 -40.2613 -3.9779 -3.9779 -3.8276 -3.8276 0.7027 0.7027 0.8467 0.8467 1.4603 1.4603 1.8825 1.8825 2.7953 2.7953 3.2126 3.2126 8.1293 8.1293 8.6166 8.6166 10.0585 10.0585 10.5599 10.5599 k = 0.4274 0.4274 0.2998 ( 9418 PWs) bands (ev): -94.5163 -94.5163 -94.5162 -94.5162 -40.2617 -40.2617 -40.2613 -40.2613 -4.0199 -4.0199 -3.8333 -3.8333 0.7192 0.7192 0.8965 0.8965 1.4040 1.4040 1.9044 1.9044 2.8153 2.8153 3.3064 3.3064 8.0498 8.0498 8.6257 8.6257 10.0800 10.0800 10.5685 10.5686 k = 0.4194 0.4194 0.2998 ( 9420 PWs) bands (ev): -94.5164 -94.5164 -94.5162 -94.5162 -40.2617 -40.2617 -40.2613 -40.2613 -4.0653 -4.0653 -3.8397 -3.8397 0.7375 0.7375 0.9499 0.9499 1.3495 1.3495 1.9288 1.9288 2.8380 2.8380 3.4017 3.4017 7.9723 7.9723 8.6362 8.6362 10.1040 10.1040 10.5705 10.5705 k = 0.4113 0.4113 0.2998 ( 9422 PWs) bands (ev): -94.5164 -94.5164 -94.5162 -94.5162 -40.2618 -40.2618 -40.2612 -40.2612 -4.1138 -4.1138 -3.8470 -3.8470 0.7577 0.7577 1.0064 1.0064 1.2974 1.2974 1.9557 1.9557 2.8638 2.8638 3.4974 3.4974 7.8980 7.8980 8.6481 8.6481 10.1304 10.1304 10.5739 10.5739 k = 0.4032 0.4032 0.2998 ( 9434 PWs) bands (ev): -94.5164 -94.5164 -94.5161 -94.5161 -40.2619 -40.2619 -40.2612 -40.2612 -4.1651 -4.1651 -3.8550 -3.8550 0.7797 0.7797 1.0653 1.0653 1.2481 1.2481 1.9852 1.9852 2.8926 2.8926 3.5927 3.5927 7.8280 7.8280 8.6616 8.6616 10.1594 10.1594 10.5788 10.5788 k = 0.3952 0.3952 0.2998 ( 9438 PWs) bands (ev): -94.5164 -94.5164 -94.5161 -94.5161 -40.2620 -40.2620 -40.2612 -40.2612 -4.2186 -4.2186 -3.8639 -3.8639 0.8036 0.8036 1.1259 1.1259 1.2021 1.2021 2.0172 2.0172 2.9247 2.9247 3.6867 3.6867 7.7632 7.7632 8.6767 8.6767 10.1907 10.1907 10.5856 10.5856 k = 0.3871 0.3871 0.2998 ( 9430 PWs) bands (ev): -94.5164 -94.5164 -94.5161 -94.5161 -40.2621 -40.2621 -40.2612 -40.2612 -4.2742 -4.2742 -3.8736 -3.8736 0.8293 0.8293 1.1591 1.1591 1.1881 1.1881 2.0518 2.0518 2.9602 2.9602 3.7784 3.7784 7.7046 7.7046 8.6936 8.6936 10.2245 10.2245 10.5944 10.5944 k = 0.3790 0.3790 0.2998 ( 9434 PWs) bands (ev): -94.5165 -94.5165 -94.5161 -94.5161 -40.2622 -40.2622 -40.2611 -40.2611 -4.3315 -4.3315 -3.8842 -3.8842 0.8568 0.8568 1.1204 1.1204 1.2504 1.2504 2.0888 2.0888 2.9993 2.9993 3.8668 3.8668 7.6531 7.6531 8.7124 8.7124 10.2606 10.2606 10.6053 10.6053 k = 0.3710 0.3710 0.2998 ( 9442 PWs) bands (ev): -94.5165 -94.5165 -94.5161 -94.5161 -40.2623 -40.2623 -40.2611 -40.2611 -4.3902 -4.3902 -3.8957 -3.8957 0.8862 0.8862 1.0853 1.0853 1.3129 1.3129 2.1284 2.1284 3.0421 3.0421 3.9512 3.9512 7.6096 7.6096 8.7332 8.7332 10.2991 10.2991 10.6186 10.6186 k = 0.3629 0.3629 0.2998 ( 9442 PWs) bands (ev): -94.5165 -94.5165 -94.5160 -94.5160 -40.2624 -40.2624 -40.2611 -40.2611 -4.4499 -4.4499 -3.9080 -3.9080 0.9172 0.9172 1.0544 1.0544 1.3748 1.3748 2.1704 2.1704 3.0887 3.0887 4.0304 4.0304 7.5751 7.5751 8.7563 8.7563 10.3399 10.3399 10.6343 10.6343 k = 0.3548 0.3548 0.2998 ( 9442 PWs) bands (ev): -94.5165 -94.5165 -94.5160 -94.5160 -40.2625 -40.2625 -40.2610 -40.2610 -4.5105 -4.5105 -3.9212 -3.9212 0.9498 0.9498 1.0277 1.0277 1.4358 1.4358 2.2149 2.2149 3.1391 3.1391 4.1037 4.1037 7.5504 7.5504 8.7816 8.7816 10.3831 10.3831 10.6527 10.6527 k = 0.3468 0.3468 0.2998 ( 9434 PWs) bands (ev): -94.5166 -94.5166 -94.5160 -94.5160 -40.2626 -40.2626 -40.2610 -40.2610 -4.5717 -4.5717 -3.9353 -3.9353 0.9828 0.9828 1.0066 1.0066 1.4954 1.4954 2.2619 2.2619 3.1934 3.1934 4.1700 4.1700 7.5362 7.5362 8.8095 8.8095 10.4284 10.4284 10.6738 10.6738 k = 0.3387 0.3387 0.2998 ( 9422 PWs) bands (ev): -94.5166 -94.5166 -94.5159 -94.5159 -40.2627 -40.2627 -40.2609 -40.2609 -4.6332 -4.6332 -3.9502 -3.9502 0.9846 0.9846 1.0228 1.0228 1.5532 1.5532 2.3113 2.3113 3.2514 3.2514 4.2288 4.2288 7.5333 7.5333 8.8401 8.8401 10.4760 10.4760 10.6976 10.6976 k = 0.3306 0.3306 0.2998 ( 9420 PWs) bands (ev): -94.5166 -94.5166 -94.5159 -94.5159 -40.2628 -40.2628 -40.2609 -40.2609 -4.6949 -4.6949 -3.9660 -3.9660 0.9713 0.9713 1.0600 1.0600 1.6089 1.6089 2.3631 2.3631 3.3132 3.3132 4.2793 4.2793 7.5422 7.5422 8.8735 8.8735 10.5257 10.5257 10.7244 10.7244 k = 0.3226 0.3226 0.2998 ( 9416 PWs) bands (ev): -94.5167 -94.5167 -94.5159 -94.5159 -40.2629 -40.2629 -40.2608 -40.2608 -4.7566 -4.7566 -3.9826 -3.9826 0.9618 0.9618 1.0994 1.0994 1.6625 1.6625 2.4174 2.4174 3.3783 3.3783 4.3211 4.3211 7.5630 7.5630 8.9099 8.9099 10.5776 10.5776 10.7540 10.7540 k = 0.3145 0.3145 0.2998 ( 9420 PWs) bands (ev): -94.5167 -94.5167 -94.5158 -94.5158 -40.2631 -40.2631 -40.2608 -40.2608 -4.8181 -4.8181 -4.0000 -4.0000 0.9566 0.9566 1.1405 1.1405 1.7136 1.7136 2.4740 2.4740 3.4467 3.4467 4.3539 4.3539 7.5960 7.5960 8.9494 8.9494 10.6315 10.6315 10.7865 10.7865 k = 0.3065 0.3065 0.2998 ( 9420 PWs) bands (ev): -94.5167 -94.5167 -94.5158 -94.5158 -40.2632 -40.2632 -40.2608 -40.2608 -4.8793 -4.8793 -4.0181 -4.0181 0.9557 0.9557 1.1832 1.1832 1.7623 1.7623 2.5330 2.5330 3.5180 3.5180 4.3780 4.3780 7.6408 7.6408 8.9924 8.9924 10.6873 10.6873 10.8158 10.8158 k = 0.2984 0.2984 0.2998 ( 9426 PWs) bands (ev): -94.5168 -94.5168 -94.5158 -94.5158 -40.2633 -40.2633 -40.2607 -40.2607 -4.9399 -4.9399 -4.0369 -4.0369 0.9591 0.9591 1.2274 1.2274 1.8086 1.8086 2.5944 2.5944 3.5918 3.5918 4.3933 4.3933 7.6971 7.6971 9.0388 9.0388 10.7451 10.7451 10.8291 10.8291 k = 0.2903 0.2903 0.2998 ( 9406 PWs) bands (ev): -94.5168 -94.5168 -94.5157 -94.5157 -40.2635 -40.2635 -40.2607 -40.2607 -4.9999 -4.9999 -4.0564 -4.0564 0.9669 0.9669 1.2731 1.2731 1.8526 1.8526 2.6580 2.6580 3.6678 3.6678 4.4005 4.4005 7.7641 7.7641 9.0889 9.0889 10.8047 10.8047 10.8399 10.8399 k = 0.2823 0.2823 0.2998 ( 9414 PWs) bands (ev): -94.5168 -94.5168 -94.5157 -94.5157 -40.2636 -40.2636 -40.2606 -40.2606 -5.0591 -5.0591 -4.0764 -4.0764 0.9789 0.9789 1.3202 1.3202 1.8942 1.8942 2.7239 2.7239 3.7454 3.7454 4.4002 4.4002 7.8411 7.8411 9.1428 9.1428 10.8482 10.8482 10.8661 10.8661 k = 0.2742 0.2742 0.2998 ( 9414 PWs) bands (ev): -94.5169 -94.5169 -94.5157 -94.5157 -40.2638 -40.2638 -40.2606 -40.2606 -5.1175 -5.1175 -4.0970 -4.0970 0.9952 0.9952 1.3687 1.3687 1.9337 1.9337 2.7921 2.7921 3.8242 3.8242 4.3930 4.3930 7.9270 7.9270 9.2007 9.2007 10.8533 10.8533 10.9291 10.9291 k = 0.2661 0.2661 0.2998 ( 9408 PWs) bands (ev): -94.5169 -94.5169 -94.5156 -94.5156 -40.2639 -40.2639 -40.2605 -40.2605 -5.1749 -5.1749 -4.1180 -4.1180 1.0155 1.0155 1.4184 1.4184 1.9711 1.9711 2.8625 2.8625 3.9038 3.9038 4.3797 4.3797 8.0207 8.0207 9.2627 9.2627 10.8542 10.8542 10.9936 10.9936 k = 0.2581 0.2581 0.2998 ( 9410 PWs) bands (ev): -94.5169 -94.5169 -94.5156 -94.5156 -40.2640 -40.2640 -40.2605 -40.2605 -5.2313 -5.2313 -4.1394 -4.1394 1.0400 1.0400 1.4694 1.4694 2.0065 2.0065 2.9351 2.9351 3.9837 3.9837 4.3611 4.3611 8.1210 8.1210 9.3288 9.3288 10.8493 10.8493 11.0595 11.0595 k = 0.2500 0.2500 0.2998 ( 9410 PWs) bands (ev): -94.5170 -94.5170 -94.5156 -94.5156 -40.2642 -40.2642 -40.2604 -40.2604 -5.2865 -5.2865 -4.1611 -4.1611 1.0684 1.0684 1.5215 1.5215 2.0402 2.0402 3.0097 3.0097 4.0636 4.0636 4.3379 4.3379 8.2269 8.2269 9.3991 9.3991 10.8370 10.8370 11.1267 11.1267 k = 0.2419 0.2419 0.2998 ( 9410 PWs) bands (ev): -94.5170 -94.5170 -94.5155 -94.5155 -40.2643 -40.2643 -40.2604 -40.2604 -5.3406 -5.3406 -4.1830 -4.1830 1.1007 1.1007 1.5747 1.5747 2.0722 2.0722 3.0865 3.0865 4.1428 4.1428 4.3110 4.3110 8.3368 8.3368 9.4737 9.4737 10.8153 10.8153 11.1816 11.1816 k = 0.2339 0.2339 0.2998 ( 9406 PWs) bands (ev): -94.5170 -94.5170 -94.5155 -94.5155 -40.2645 -40.2645 -40.2603 -40.2603 -5.3933 -5.3933 -4.2051 -4.2051 1.1368 1.1368 1.6289 1.6289 2.1027 2.1027 3.1653 3.1653 4.2209 4.2209 4.2811 4.2811 8.4496 8.4496 9.5526 9.5526 10.7821 10.7821 10.9913 10.9913 k = 0.2258 0.2258 0.2998 ( 9402 PWs) bands (ev): -94.5171 -94.5171 -94.5155 -94.5155 -40.2646 -40.2646 -40.2603 -40.2603 -5.4447 -5.4447 -4.2273 -4.2273 1.1765 1.1765 1.6840 1.6840 2.1317 2.1317 3.2460 3.2460 4.2473 4.2473 4.2992 4.2992 8.5635 8.5635 9.6357 9.6357 10.7356 10.7356 10.8038 10.8038 k = 0.2177 0.2177 0.2998 ( 9400 PWs) bands (ev): -94.5171 -94.5171 -94.5154 -94.5154 -40.2647 -40.2647 -40.2602 -40.2602 -5.4946 -5.4946 -4.2495 -4.2495 1.2197 1.2197 1.7398 1.7398 2.1595 2.1595 3.3286 3.3286 4.2129 4.2129 4.3744 4.3744 8.6766 8.6766 9.7229 9.7229 10.6214 10.6214 10.6749 10.6749 k = 0.2097 0.2097 0.2998 ( 9406 PWs) bands (ev): -94.5172 -94.5172 -94.5154 -94.5154 -40.2649 -40.2649 -40.2602 -40.2602 -5.5431 -5.5431 -4.2715 -4.2715 1.2663 1.2663 1.7964 1.7964 2.1859 2.1859 3.4131 3.4131 4.1765 4.1765 4.4481 4.4481 8.7861 8.7861 9.8142 9.8142 10.4468 10.4468 10.6001 10.6001 k = 0.2016 0.2016 0.2998 ( 9398 PWs) bands (ev): -94.5172 -94.5172 -94.5154 -94.5154 -40.2650 -40.2650 -40.2601 -40.2601 -5.5901 -5.5901 -4.2935 -4.2935 1.3162 1.3162 1.8536 1.8536 2.2113 2.2113 3.4992 3.4992 4.1389 4.1389 4.5197 4.5197 8.8878 8.8878 9.9093 9.9093 10.2840 10.2840 10.5129 10.5129 k = 0.1935 0.1935 0.2998 ( 9392 PWs) bands (ev): -94.5172 -94.5172 -94.5153 -94.5153 -40.2652 -40.2652 -40.2601 -40.2601 -5.6355 -5.6355 -4.3151 -4.3151 1.3692 1.3692 1.9112 1.9112 2.2355 2.2355 3.5870 3.5870 4.1004 4.1004 4.5890 4.5890 8.9749 8.9749 10.0081 10.0081 10.1396 10.1396 10.4156 10.4156 k = 0.1855 0.1855 0.2998 ( 9386 PWs) bands (ev): -94.5173 -94.5173 -94.5153 -94.5153 -40.2653 -40.2653 -40.2600 -40.2600 -5.6794 -5.6794 -4.3365 -4.3365 1.4251 1.4251 1.9691 1.9691 2.2588 2.2588 3.6763 3.6763 4.0613 4.0613 4.6559 4.6559 9.0362 9.0362 10.0248 10.0248 10.1102 10.1102 10.3108 10.3108 k = 0.1774 0.1774 0.2998 ( 9382 PWs) bands (ev): -94.5173 -94.5173 -94.5153 -94.5153 -40.2654 -40.2654 -40.2600 -40.2600 -5.7216 -5.7216 -4.3575 -4.3575 1.4838 1.4838 2.0271 2.0271 2.2810 2.2810 3.7669 3.7669 4.0219 4.0219 4.7201 4.7201 9.0562 9.0562 9.9548 9.9548 10.2008 10.2008 10.2152 10.2152 k = 0.1694 0.1694 0.2998 ( 9386 PWs) bands (ev): -94.5173 -94.5173 -94.5152 -94.5152 -40.2655 -40.2655 -40.2600 -40.2600 -5.7621 -5.7621 -4.3780 -4.3780 1.5452 1.5452 2.0851 2.0851 2.3023 2.3023 3.8584 3.8584 3.9827 3.9827 4.7816 4.7816 9.0238 9.0238 9.9406 9.9406 10.0878 10.0878 10.3227 10.3227 k = 0.1613 0.1613 0.2998 ( 9386 PWs) bands (ev): -94.5173 -94.5173 -94.5152 -94.5152 -40.2657 -40.2657 -40.2599 -40.2599 -5.8009 -5.8009 -4.3981 -4.3981 1.6089 1.6089 2.1430 2.1430 2.3227 2.3227 3.9356 3.9356 3.9589 3.9589 4.8403 4.8403 8.9438 8.9438 9.9734 9.9734 9.9775 9.9775 10.4321 10.4321 k = 0.1532 0.1532 0.2998 ( 9382 PWs) bands (ev): -94.5174 -94.5174 -94.5152 -94.5152 -40.2658 -40.2658 -40.2599 -40.2599 -5.8380 -5.8380 -4.4175 -4.4175 1.6749 1.6749 2.2004 2.2004 2.3422 2.3422 3.9016 3.9016 4.0472 4.0472 4.8961 4.8961 8.8322 8.8322 9.8591 9.8591 10.0493 10.0493 10.5430 10.5430 k = 0.1452 0.1452 0.2998 ( 9374 PWs) bands (ev): -94.5174 -94.5174 -94.5151 -94.5151 -40.2659 -40.2659 -40.2598 -40.2598 -5.8733 -5.8733 -4.4363 -4.4363 1.7429 1.7429 2.2572 2.2572 2.3609 2.3609 3.8624 3.8624 4.1416 4.1416 4.9489 4.9489 8.7035 8.7035 9.7459 9.7459 10.1417 10.1417 10.4478 10.4478 k = 0.1371 0.1371 0.2998 ( 9378 PWs) bands (ev): -94.5174 -94.5174 -94.5151 -94.5151 -40.2660 -40.2660 -40.2598 -40.2598 -5.9068 -5.9068 -4.4544 -4.4544 1.8126 1.8126 2.3130 2.3130 2.3790 2.3790 3.8232 3.8232 4.2367 4.2367 4.9988 4.9988 8.5669 8.5669 9.6346 9.6346 10.2455 10.2455 10.3008 10.3008 k = 0.1290 0.1290 0.2998 ( 9384 PWs) bands (ev): -94.5175 -94.5175 -94.5151 -94.5151 -40.2661 -40.2661 -40.2598 -40.2598 -5.9385 -5.9385 -4.4717 -4.4717 1.8840 1.8840 2.3665 2.3665 2.3974 2.3974 3.7842 3.7842 4.3321 4.3321 5.0458 5.0458 8.4278 8.4278 9.5260 9.5260 10.1555 10.1555 10.3559 10.3559 k = 0.1210 0.1210 0.2998 ( 9380 PWs) bands (ev): -94.5175 -94.5175 -94.5151 -94.5151 -40.2662 -40.2662 -40.2597 -40.2597 -5.9684 -5.9684 -4.4883 -4.4883 1.9566 1.9566 2.4054 2.4054 2.4283 2.4283 3.7453 3.7453 4.4273 4.4273 5.0898 5.0898 8.2894 8.2894 9.4209 9.4209 10.0130 10.0130 10.4692 10.4692 k = 0.1129 0.1129 0.2998 ( 9372 PWs) bands (ev): -94.5175 -94.5175 -94.5150 -94.5150 -40.2663 -40.2663 -40.2597 -40.2597 -5.9964 -5.9964 -4.5040 -4.5040 2.0303 2.0303 2.4234 2.4234 2.4777 2.4777 3.7065 3.7065 4.5221 4.5221 5.1309 5.1309 8.1538 8.1538 9.3196 9.3196 9.8734 9.8734 10.5841 10.5841 k = 0.1048 0.1048 0.2998 ( 9364 PWs) bands (ev): -94.5175 -94.5175 -94.5150 -94.5150 -40.2664 -40.2664 -40.2597 -40.2597 -6.0226 -6.0226 -4.5188 -4.5188 2.1047 2.1047 2.4380 2.4380 2.5278 2.5278 3.6678 3.6678 4.6159 4.6159 5.1690 5.1690 8.0224 8.0224 9.2229 9.2229 9.7374 9.7374 10.6993 10.6993 k = 0.0968 0.0968 0.2998 ( 9352 PWs) bands (ev): -94.5176 -94.5176 -94.5150 -94.5150 -40.2665 -40.2665 -40.2596 -40.2596 -6.0469 -6.0469 -4.5326 -4.5326 2.1795 2.1795 2.4513 2.4513 2.5762 2.5762 3.6291 3.6291 4.7084 4.7084 5.2042 5.2042 7.8964 7.8964 9.1311 9.1311 9.6055 9.6055 10.8140 10.8140 k = 0.0887 0.0887 0.2998 ( 9358 PWs) bands (ev): -94.5176 -94.5176 -94.5150 -94.5150 -40.2666 -40.2666 -40.2596 -40.2596 -6.0693 -6.0693 -4.5455 -4.5455 2.2544 2.2544 2.4635 2.4635 2.6224 2.6224 3.5903 3.5903 4.7987 4.7987 5.2366 5.2366 7.7766 7.7766 9.0447 9.0447 9.4784 9.4784 10.9277 10.9277 k = 0.0806 0.0806 0.2998 ( 9370 PWs) bands (ev): -94.5176 -94.5176 -94.5150 -94.5150 -40.2666 -40.2666 -40.2596 -40.2596 -6.0899 -6.0899 -4.5574 -4.5574 2.3290 2.3290 2.4748 2.4748 2.6660 2.6660 3.5513 3.5513 4.8864 4.8864 5.2661 5.2661 7.6640 7.6640 8.9641 8.9641 9.3569 9.3569 11.0398 11.0398 k = 0.0726 0.0726 0.2998 ( 9372 PWs) bands (ev): -94.5176 -94.5176 -94.5149 -94.5149 -40.2667 -40.2667 -40.2596 -40.2596 -6.1084 -6.1084 -4.5682 -4.5682 2.4027 2.4027 2.4852 2.4852 2.7067 2.7067 3.5119 3.5119 4.9706 4.9706 5.2928 5.2928 7.5593 7.5593 8.8897 8.8897 9.2417 9.2417 11.1498 11.1498 k = 0.0645 0.0645 0.2998 ( 9376 PWs) bands (ev): -94.5176 -94.5176 -94.5149 -94.5149 -40.2668 -40.2668 -40.2595 -40.2595 -6.1251 -6.1251 -4.5780 -4.5780 2.4733 2.4733 2.4966 2.4966 2.7441 2.7441 3.4721 3.4721 5.0504 5.0504 5.3168 5.3168 7.4631 7.4631 8.8219 8.8219 9.1340 9.1340 11.2573 11.2573 k = 0.0565 0.0565 0.2998 ( 9380 PWs) bands (ev): -94.5176 -94.5176 -94.5149 -94.5149 -40.2668 -40.2668 -40.2595 -40.2595 -6.1398 -6.1398 -4.5867 -4.5867 2.5003 2.5003 2.5490 2.5490 2.7780 2.7780 3.4317 3.4317 5.1248 5.1248 5.3380 5.3380 7.3762 7.3762 8.7611 8.7611 9.0347 9.0347 11.3613 11.3613 k = 0.0484 0.0484 0.2998 ( 9388 PWs) bands (ev): -94.5177 -94.5177 -94.5149 -94.5149 -40.2669 -40.2669 -40.2595 -40.2595 -6.1525 -6.1525 -4.5942 -4.5942 2.5081 2.5081 2.6173 2.6173 2.8081 2.8081 3.3910 3.3910 5.1926 5.1926 5.3565 5.3565 7.2993 7.2993 8.7076 8.7076 8.9450 8.9450 11.4386 11.4386 k = 0.0403 0.0403 0.2998 ( 9372 PWs) bands (ev): -94.5177 -94.5177 -94.5149 -94.5149 -40.2669 -40.2669 -40.2595 -40.2595 -6.1633 -6.1633 -4.6007 -4.6007 2.5143 2.5143 2.6830 2.6830 2.8342 2.8342 3.3499 3.3499 5.2525 5.2525 5.3726 5.3726 7.2330 7.2330 8.6619 8.6619 8.8661 8.8661 11.4325 11.4326 k = 0.0323 0.0323 0.2998 ( 9380 PWs) bands (ev): -94.5177 -94.5177 -94.5149 -94.5149 -40.2669 -40.2669 -40.2595 -40.2595 -6.1721 -6.1721 -4.6060 -4.6060 2.5193 2.5193 2.7447 2.7447 2.8560 2.8560 3.3093 3.3093 5.3030 5.3030 5.3864 5.3864 7.1778 7.1778 8.6239 8.6239 8.7992 8.7992 11.4242 11.4242 k = 0.0242 0.0242 0.2998 ( 9392 PWs) bands (ev): -94.5177 -94.5177 -94.5149 -94.5149 -40.2670 -40.2670 -40.2595 -40.2595 -6.1790 -6.1790 -4.6101 -4.6101 2.5231 2.5231 2.8004 2.8004 2.8735 2.8735 3.2703 3.2703 5.3424 5.3424 5.3985 5.3985 7.1344 7.1344 8.5941 8.5941 8.7457 8.7457 11.4160 11.4160 k = 0.0161 0.0161 0.2998 ( 9396 PWs) bands (ev): -94.5177 -94.5177 -94.5149 -94.5149 -40.2670 -40.2670 -40.2595 -40.2595 -6.1839 -6.1839 -4.6130 -4.6130 2.5259 2.5259 2.8464 2.8464 2.8870 2.8870 3.2355 3.2355 5.3690 5.3690 5.4097 5.4097 7.1030 7.1030 8.5726 8.5726 8.7065 8.7065 11.4094 11.4094 k = 0.0081 0.0081 0.2998 ( 9400 PWs) bands (ev): -94.5177 -94.5177 -94.5149 -94.5149 -40.2670 -40.2670 -40.2595 -40.2595 -6.1869 -6.1869 -4.6148 -4.6148 2.5275 2.5275 2.8760 2.8760 2.8982 2.8982 3.2098 3.2098 5.3828 5.3828 5.4189 5.4189 7.0840 7.0840 8.5597 8.5597 8.6826 8.6826 11.4052 11.4052 k = 0.0000 0.0000 0.2998 ( 9404 PWs) bands (ev): -94.5177 -94.5177 -94.5149 -94.5149 -40.2670 -40.2670 -40.2595 -40.2595 -6.1879 -6.1879 -4.6154 -4.6154 2.5281 2.5281 2.8844 2.8844 2.9046 2.9046 3.2000 3.2000 5.3868 5.3868 5.4227 5.4227 7.0777 7.0777 8.5554 8.5554 8.6746 8.6746 11.4037 11.4037 k = 0.0000 0.5000-0.0000 ( 9406 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2623 -40.2623 -40.2623 -40.2623 -4.7144 -4.7144 -4.7144 -4.7144 0.4789 0.4789 0.4789 0.4789 3.1104 3.1104 3.1104 3.1104 4.7767 4.7767 4.7767 4.7767 9.2168 9.2168 9.2168 9.2168 10.7599 10.7599 10.7599 10.7599 k = 0.0000 0.5000 0.0111 ( 9402 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2623 -40.2623 -40.2623 -40.2623 -4.7144 -4.7144 -4.7144 -4.7144 0.4773 0.4773 0.4773 0.4773 3.1139 3.1139 3.1139 3.1139 4.7768 4.7768 4.7768 4.7768 9.2166 9.2166 9.2166 9.2166 10.7565 10.7565 10.7565 10.7565 k = 0.0000 0.5000 0.0222 ( 9408 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2623 -40.2623 -40.2623 -40.2623 -4.7142 -4.7142 -4.7142 -4.7142 0.4725 0.4725 0.4725 0.4725 3.1244 3.1244 3.1244 3.1244 4.7773 4.7773 4.7773 4.7773 9.2162 9.2162 9.2162 9.2162 10.7463 10.7463 10.7463 10.7463 k = 0.0000 0.5000 0.0333 ( 9404 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2623 -40.2623 -40.2623 -40.2623 -4.7139 -4.7139 -4.7139 -4.7139 0.4647 0.4647 0.4647 0.4647 3.1418 3.1418 3.1418 3.1418 4.7780 4.7780 4.7780 4.7780 9.2155 9.2155 9.2155 9.2155 10.7296 10.7296 10.7296 10.7296 k = 0.0000 0.5000 0.0444 ( 9414 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2623 -40.2623 -40.2623 -40.2623 -4.7135 -4.7135 -4.7135 -4.7135 0.4539 0.4539 0.4539 0.4539 3.1657 3.1657 3.1657 3.1657 4.7790 4.7790 4.7790 4.7790 9.2144 9.2144 9.2144 9.2144 10.7072 10.7072 10.7072 10.7072 k = 0.0000 0.5000 0.0555 ( 9410 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2623 -40.2623 -40.2623 -40.2623 -4.7129 -4.7129 -4.7129 -4.7129 0.4406 0.4406 0.4406 0.4406 3.1959 3.1959 3.1959 3.1959 4.7803 4.7803 4.7803 4.7803 9.2131 9.2131 9.2131 9.2131 10.6794 10.6794 10.6794 10.6794 k = 0.0000 0.5000 0.0666 ( 9406 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2623 -40.2623 -40.2623 -40.2623 -4.7123 -4.7123 -4.7123 -4.7123 0.4250 0.4250 0.4250 0.4250 3.2320 3.2320 3.2320 3.2320 4.7818 4.7818 4.7818 4.7818 9.2115 9.2115 9.2115 9.2115 10.6330 10.6330 10.6330 10.6330 k = 0.0000 0.5000 0.0777 ( 9420 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2623 -40.2623 -40.2623 -40.2623 -4.7116 -4.7116 -4.7116 -4.7116 0.4073 0.4073 0.4073 0.4073 3.2735 3.2735 3.2735 3.2735 4.7836 4.7836 4.7836 4.7836 9.2095 9.2095 9.2095 9.2095 10.4966 10.4966 10.4966 10.4966 k = 0.0000 0.5000 0.0888 ( 9404 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2623 -40.2623 -40.2623 -40.2623 -4.7107 -4.7107 -4.7107 -4.7107 0.3881 0.3881 0.3881 0.3881 3.3198 3.3198 3.3198 3.3198 4.7855 4.7855 4.7855 4.7855 9.2073 9.2073 9.2073 9.2073 10.3549 10.3549 10.3549 10.3549 k = 0.0000 0.5000 0.0999 ( 9392 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2623 -40.2623 -40.2623 -40.2623 -4.7098 -4.7098 -4.7098 -4.7098 0.3676 0.3676 0.3676 0.3676 3.3705 3.3705 3.3705 3.3705 4.7877 4.7877 4.7877 4.7877 9.2046 9.2046 9.2046 9.2046 10.2119 10.2119 10.2119 10.2119 k = 0.0000 0.5000 0.1110 ( 9392 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2623 -40.2623 -40.2623 -40.2623 -4.7089 -4.7089 -4.7089 -4.7089 0.3462 0.3462 0.3462 0.3462 3.4249 3.4249 3.4249 3.4249 4.7900 4.7900 4.7900 4.7900 9.2014 9.2014 9.2014 9.2014 10.0692 10.0692 10.0692 10.0692 k = 0.0000 0.5000 0.1221 ( 9398 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2623 -40.2623 -40.2623 -40.2623 -4.7079 -4.7079 -4.7079 -4.7079 0.3242 0.3242 0.3242 0.3242 3.4824 3.4824 3.4824 3.4824 4.7924 4.7924 4.7924 4.7924 9.1975 9.1975 9.1975 9.1975 9.9282 9.9282 9.9282 9.9282 k = 0.0000 0.5000 0.1333 ( 9394 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2623 -40.2623 -40.2623 -40.2623 -4.7068 -4.7068 -4.7068 -4.7068 0.3019 0.3019 0.3019 0.3019 3.5425 3.5425 3.5425 3.5425 4.7950 4.7950 4.7950 4.7950 9.1926 9.1926 9.1926 9.1926 9.7904 9.7904 9.7904 9.7904 k = 0.0000 0.5000 0.1444 ( 9386 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2623 -40.2623 -40.2623 -40.2623 -4.7057 -4.7057 -4.7057 -4.7057 0.2798 0.2798 0.2798 0.2798 3.6043 3.6043 3.6043 3.6043 4.7976 4.7976 4.7976 4.7976 9.1860 9.1860 9.1860 9.1860 9.6573 9.6573 9.6573 9.6573 k = 0.0000 0.5000 0.1555 ( 9390 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2623 -40.2623 -40.2623 -40.2623 -4.7047 -4.7047 -4.7047 -4.7047 0.2580 0.2580 0.2580 0.2580 3.6673 3.6673 3.6673 3.6673 4.8002 4.8002 4.8002 4.8002 9.1761 9.1761 9.1761 9.1761 9.5314 9.5314 9.5314 9.5314 k = 0.0000 0.5000 0.1666 ( 9390 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2623 -40.2623 -40.2623 -40.2623 -4.7036 -4.7036 -4.7036 -4.7036 0.2369 0.2369 0.2369 0.2369 3.7307 3.7307 3.7307 3.7307 4.8028 4.8028 4.8028 4.8028 9.1588 9.1588 9.1588 9.1588 9.4176 9.4176 9.4176 9.4176 k = 0.0000 0.5000 0.1777 ( 9390 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2623 -40.2623 -40.2623 -40.2623 -4.7025 -4.7025 -4.7025 -4.7025 0.2166 0.2166 0.2166 0.2166 3.7937 3.7937 3.7937 3.7937 4.8054 4.8054 4.8054 4.8054 9.1247 9.1247 9.1247 9.1247 9.3263 9.3263 9.3263 9.3263 k = 0.0000 0.5000 0.1888 ( 9384 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2623 -40.2623 -40.2623 -40.2623 -4.7015 -4.7015 -4.7015 -4.7015 0.1974 0.1974 0.1974 0.1974 3.8556 3.8556 3.8556 3.8556 4.8079 4.8079 4.8079 4.8079 9.0622 9.0622 9.0622 9.0622 9.2699 9.2699 9.2699 9.2699 k = 0.0000 0.5000 0.1999 ( 9380 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2623 -40.2623 -40.2623 -40.2623 -4.7005 -4.7005 -4.7005 -4.7005 0.1795 0.1795 0.1795 0.1795 3.9154 3.9154 3.9154 3.9154 4.8102 4.8102 4.8102 4.8102 8.9783 8.9783 8.9783 8.9783 9.2423 9.2423 9.2423 9.2423 k = 0.0000 0.5000 0.2110 ( 9372 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2623 -40.2623 -40.2623 -40.2623 -4.6996 -4.6996 -4.6996 -4.6996 0.1631 0.1631 0.1631 0.1631 3.9724 3.9724 3.9724 3.9724 4.8125 4.8125 4.8125 4.8125 8.8889 8.8889 8.8889 8.8889 9.2283 9.2283 9.2283 9.2283 k = 0.0000 0.5000 0.2221 ( 9388 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2623 -40.2623 -40.2623 -40.2623 -4.6988 -4.6988 -4.6988 -4.6988 0.1482 0.1482 0.1482 0.1482 4.0256 4.0256 4.0256 4.0256 4.8145 4.8145 4.8145 4.8145 8.8029 8.8029 8.8029 8.8029 9.2202 9.2202 9.2202 9.2202 k = 0.0000 0.5000 0.2332 ( 9398 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2623 -40.2623 -40.2623 -40.2623 -4.6981 -4.6981 -4.6981 -4.6981 0.1351 0.1351 0.1351 0.1351 4.0741 4.0741 4.0741 4.0741 4.8164 4.8164 4.8164 4.8164 8.7241 8.7241 8.7241 8.7241 9.2149 9.2149 9.2149 9.2149 k = 0.0000 0.5000 0.2443 ( 9408 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2623 -40.2623 -40.2623 -40.2623 -4.6974 -4.6974 -4.6974 -4.6974 0.1238 0.1238 0.1238 0.1238 4.1171 4.1171 4.1171 4.1171 4.8180 4.8180 4.8180 4.8180 8.6547 8.6547 8.6547 8.6547 9.2112 9.2112 9.2112 9.2112 k = 0.0000 0.5000 0.2554 ( 9408 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2623 -40.2623 -40.2623 -40.2623 -4.6969 -4.6969 -4.6969 -4.6969 0.1145 0.1145 0.1145 0.1145 4.1536 4.1536 4.1536 4.1536 4.8193 4.8193 4.8193 4.8193 8.5962 8.5962 8.5962 8.5962 9.2086 9.2086 9.2086 9.2086 k = 0.0000 0.5000 0.2665 ( 9384 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2623 -40.2623 -40.2623 -40.2623 -4.6964 -4.6964 -4.6964 -4.6964 0.1071 0.1071 0.1071 0.1071 4.1830 4.1830 4.1830 4.1830 4.8204 4.8204 4.8204 4.8204 8.5496 8.5496 8.5496 8.5496 9.2068 9.2068 9.2068 9.2068 k = 0.0000 0.5000 0.2776 ( 9390 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2623 -40.2623 -40.2623 -40.2623 -4.6961 -4.6961 -4.6961 -4.6961 0.1018 0.1018 0.1018 0.1018 4.2044 4.2044 4.2044 4.2044 4.8212 4.8212 4.8212 4.8212 8.5157 8.5157 8.5157 8.5157 9.2055 9.2055 9.2055 9.2055 k = 0.0000 0.5000 0.2887 ( 9386 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2623 -40.2623 -40.2623 -40.2623 -4.6959 -4.6959 -4.6959 -4.6959 0.0987 0.0987 0.0987 0.0987 4.2175 4.2175 4.2175 4.2175 4.8217 4.8217 4.8217 4.8217 8.4951 8.4951 8.4951 8.4951 9.2048 9.2048 9.2048 9.2048 k = 0.0000 0.5000 0.2998 ( 9400 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2623 -40.2623 -40.2623 -40.2623 -4.6959 -4.6959 -4.6959 -4.6959 0.0976 0.0976 0.0976 0.0976 4.2219 4.2219 4.2219 4.2219 4.8218 4.8218 4.8218 4.8218 8.4882 8.4882 8.4882 8.4882 9.2046 9.2046 9.2046 9.2046 k = 0.5000 0.5000-0.0000 ( 9408 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2614 -40.2614 -40.2614 -40.2614 -3.8018 -3.8018 -3.8018 -3.8018 0.3820 0.3820 0.3820 0.3820 2.3618 2.3618 2.3618 2.3618 2.7409 2.7409 2.7409 2.7409 7.6781 7.6781 7.6781 7.6781 8.1015 8.1015 8.1015 8.1015 k = 0.5000 0.5000 0.0111 ( 9416 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2614 -40.2614 -40.2614 -40.2614 -3.8018 -3.8018 -3.8018 -3.8018 0.3826 0.3826 0.3826 0.3826 2.3599 2.3599 2.3599 2.3599 2.7409 2.7409 2.7409 2.7409 7.6824 7.6824 7.6824 7.6824 8.1029 8.1029 8.1029 8.1029 k = 0.5000 0.5000 0.0222 ( 9424 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2614 -40.2614 -40.2614 -40.2614 -3.8019 -3.8019 -3.8019 -3.8019 0.3846 0.3846 0.3846 0.3846 2.3544 2.3544 2.3544 2.3544 2.7407 2.7407 2.7407 2.7407 7.6955 7.6955 7.6955 7.6955 8.1070 8.1070 8.1070 8.1070 k = 0.5000 0.5000 0.0333 ( 9412 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2614 -40.2614 -40.2614 -40.2614 -3.8020 -3.8020 -3.8020 -3.8020 0.3880 0.3880 0.3880 0.3880 2.3454 2.3454 2.3454 2.3454 2.7404 2.7404 2.7404 2.7404 7.7173 7.7173 7.7173 7.7173 8.1138 8.1138 8.1138 8.1138 k = 0.5000 0.5000 0.0444 ( 9404 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2614 -40.2614 -40.2614 -40.2614 -3.8021 -3.8021 -3.8021 -3.8021 0.3927 0.3927 0.3927 0.3927 2.3329 2.3329 2.3329 2.3329 2.7400 2.7400 2.7400 2.7400 7.7475 7.7475 7.7475 7.7475 8.1233 8.1233 8.1233 8.1233 k = 0.5000 0.5000 0.0555 ( 9412 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2614 -40.2614 -40.2614 -40.2614 -3.8022 -3.8022 -3.8022 -3.8022 0.3986 0.3986 0.3986 0.3986 2.3171 2.3171 2.3171 2.3171 2.7395 2.7395 2.7395 2.7395 7.7862 7.7862 7.7862 7.7862 8.1354 8.1354 8.1354 8.1354 k = 0.5000 0.5000 0.0666 ( 9400 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2614 -40.2614 -40.2614 -40.2614 -3.8024 -3.8024 -3.8024 -3.8024 0.4058 0.4058 0.4058 0.4058 2.2983 2.2983 2.2983 2.2983 2.7389 2.7389 2.7389 2.7389 7.8330 7.8330 7.8330 7.8330 8.1499 8.1499 8.1499 8.1499 k = 0.5000 0.5000 0.0777 ( 9408 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2614 -40.2614 -40.2614 -40.2614 -3.8026 -3.8026 -3.8026 -3.8026 0.4142 0.4142 0.4142 0.4142 2.2767 2.2767 2.2767 2.2767 2.7382 2.7382 2.7382 2.7382 7.8877 7.8877 7.8877 7.8877 8.1668 8.1668 8.1668 8.1668 k = 0.5000 0.5000 0.0888 ( 9440 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2614 -40.2614 -40.2614 -40.2614 -3.8028 -3.8028 -3.8028 -3.8028 0.4236 0.4236 0.4236 0.4236 2.2526 2.2526 2.2526 2.2526 2.7374 2.7374 2.7374 2.7374 7.9500 7.9500 7.9500 7.9500 8.1859 8.1859 8.1859 8.1859 k = 0.5000 0.5000 0.0999 ( 9440 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2614 -40.2614 -40.2614 -40.2614 -3.8031 -3.8031 -3.8031 -3.8031 0.4342 0.4342 0.4342 0.4342 2.2263 2.2263 2.2263 2.2263 2.7365 2.7365 2.7365 2.7365 8.0198 8.0198 8.0198 8.0198 8.2070 8.2070 8.2070 8.2070 k = 0.5000 0.5000 0.1110 ( 9440 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2614 -40.2614 -40.2614 -40.2614 -3.8033 -3.8033 -3.8033 -3.8033 0.4458 0.4458 0.4458 0.4458 2.1981 2.1981 2.1981 2.1981 2.7356 2.7356 2.7356 2.7356 8.0967 8.0967 8.0967 8.0967 8.2299 8.2299 8.2299 8.2299 k = 0.5000 0.5000 0.1221 ( 9420 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2614 -40.2614 -40.2614 -40.2614 -3.8036 -3.8036 -3.8036 -3.8036 0.4584 0.4584 0.4584 0.4584 2.1684 2.1684 2.1684 2.1684 2.7347 2.7347 2.7347 2.7347 8.1804 8.1804 8.1804 8.1804 8.2545 8.2545 8.2545 8.2545 k = 0.5000 0.5000 0.1333 ( 9420 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2614 -40.2614 -40.2614 -40.2614 -3.8039 -3.8039 -3.8039 -3.8039 0.4717 0.4717 0.4717 0.4717 2.1376 2.1376 2.1376 2.1376 2.7337 2.7337 2.7337 2.7337 8.2702 8.2702 8.2702 8.2702 8.2808 8.2808 8.2808 8.2808 k = 0.5000 0.5000 0.1444 ( 9428 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2614 -40.2614 -40.2614 -40.2614 -3.8042 -3.8042 -3.8042 -3.8042 0.4857 0.4857 0.4857 0.4857 2.1059 2.1059 2.1059 2.1059 2.7327 2.7327 2.7327 2.7327 8.3071 8.3071 8.3071 8.3071 8.3671 8.3671 8.3671 8.3671 k = 0.5000 0.5000 0.1555 ( 9436 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2614 -40.2614 -40.2614 -40.2614 -3.8045 -3.8045 -3.8045 -3.8045 0.5003 0.5003 0.5003 0.5003 2.0739 2.0739 2.0739 2.0739 2.7318 2.7318 2.7318 2.7318 8.3349 8.3349 8.3349 8.3349 8.4693 8.4693 8.4693 8.4693 k = 0.5000 0.5000 0.1666 ( 9436 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2614 -40.2614 -40.2614 -40.2614 -3.8048 -3.8048 -3.8048 -3.8048 0.5152 0.5152 0.5152 0.5152 2.0418 2.0418 2.0418 2.0418 2.7308 2.7308 2.7308 2.7308 8.3630 8.3630 8.3630 8.3630 8.5770 8.5770 8.5770 8.5770 k = 0.5000 0.5000 0.1777 ( 9420 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2614 -40.2614 -40.2614 -40.2614 -3.8051 -3.8051 -3.8051 -3.8051 0.5303 0.5303 0.5303 0.5303 2.0101 2.0101 2.0101 2.0101 2.7298 2.7298 2.7298 2.7298 8.3911 8.3911 8.3911 8.3911 8.6899 8.6899 8.6899 8.6899 k = 0.5000 0.5000 0.1888 ( 9428 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2614 -40.2614 -40.2614 -40.2614 -3.8054 -3.8054 -3.8054 -3.8054 0.5454 0.5454 0.5454 0.5454 1.9792 1.9792 1.9792 1.9792 2.7289 2.7289 2.7289 2.7289 8.4188 8.4188 8.4188 8.4188 8.8077 8.8077 8.8077 8.8077 k = 0.5000 0.5000 0.1999 ( 9436 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2614 -40.2614 -40.2614 -40.2614 -3.8056 -3.8056 -3.8056 -3.8056 0.5603 0.5603 0.5603 0.5603 1.9494 1.9494 1.9494 1.9494 2.7280 2.7280 2.7280 2.7280 8.4458 8.4458 8.4458 8.4458 8.9299 8.9299 8.9299 8.9299 k = 0.5000 0.5000 0.2110 ( 9412 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2614 -40.2614 -40.2614 -40.2614 -3.8059 -3.8059 -3.8059 -3.8059 0.5748 0.5748 0.5748 0.5748 1.9213 1.9213 1.9213 1.9213 2.7272 2.7272 2.7272 2.7272 8.4715 8.4715 8.4715 8.4715 9.0562 9.0562 9.0562 9.0562 k = 0.5000 0.5000 0.2221 ( 9412 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2614 -40.2614 -40.2614 -40.2614 -3.8061 -3.8061 -3.8061 -3.8061 0.5885 0.5885 0.5885 0.5885 1.8952 1.8952 1.8952 1.8952 2.7265 2.7265 2.7265 2.7265 8.4955 8.4955 8.4955 8.4955 9.1860 9.1860 9.1860 9.1860 k = 0.5000 0.5000 0.2332 ( 9432 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2614 -40.2614 -40.2614 -40.2614 -3.8063 -3.8063 -3.8063 -3.8063 0.6011 0.6011 0.6011 0.6011 1.8715 1.8715 1.8715 1.8715 2.7258 2.7258 2.7258 2.7258 8.5175 8.5175 8.5175 8.5175 9.3186 9.3186 9.3186 9.3186 k = 0.5000 0.5000 0.2443 ( 9424 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2614 -40.2614 -40.2614 -40.2614 -3.8065 -3.8065 -3.8065 -3.8065 0.6124 0.6124 0.6124 0.6124 1.8506 1.8506 1.8506 1.8506 2.7252 2.7252 2.7252 2.7252 8.5370 8.5370 8.5370 8.5370 9.4531 9.4531 9.4531 9.4531 k = 0.5000 0.5000 0.2554 ( 9416 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2614 -40.2614 -40.2614 -40.2614 -3.8066 -3.8066 -3.8066 -3.8066 0.6222 0.6222 0.6222 0.6222 1.8329 1.8329 1.8329 1.8329 2.7247 2.7247 2.7247 2.7247 8.5535 8.5535 8.5535 8.5535 9.5877 9.5877 9.5877 9.5877 k = 0.5000 0.5000 0.2665 ( 9404 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2614 -40.2614 -40.2614 -40.2614 -3.8067 -3.8067 -3.8067 -3.8067 0.6302 0.6302 0.6302 0.6302 1.8188 1.8188 1.8188 1.8188 2.7243 2.7243 2.7243 2.7243 8.5668 8.5668 8.5668 8.5668 9.7193 9.7193 9.7193 9.7193 k = 0.5000 0.5000 0.2776 ( 9400 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2614 -40.2614 -40.2614 -40.2614 -3.8068 -3.8068 -3.8068 -3.8068 0.6360 0.6360 0.6360 0.6360 1.8084 1.8084 1.8084 1.8084 2.7241 2.7241 2.7241 2.7241 8.5764 8.5764 8.5764 8.5764 9.8412 9.8412 9.8412 9.8412 k = 0.5000 0.5000 0.2887 ( 9400 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2614 -40.2614 -40.2614 -40.2614 -3.8069 -3.8069 -3.8069 -3.8069 0.6396 0.6396 0.6396 0.6396 1.8021 1.8021 1.8021 1.8021 2.7239 2.7239 2.7239 2.7239 8.5824 8.5824 8.5824 8.5824 9.9375 9.9375 9.9375 9.9375 k = 0.5000 0.5000 0.2998 ( 9392 PWs) bands (ev): -94.5163 -94.5163 -94.5163 -94.5163 -40.2614 -40.2614 -40.2614 -40.2614 -3.8069 -3.8069 -3.8069 -3.8069 0.6408 0.6408 0.6408 0.6408 1.8000 1.8000 1.8000 1.8000 2.7238 2.7238 2.7238 2.7238 8.5843 8.5843 8.5843 8.5843 9.9772 9.9772 9.9772 9.9772 Writing output data file LiBeP.save init_run : 0.45s CPU 0.74s WALL ( 1 calls) electrons : 176.01s CPU 178.17s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.05s CPU 0.16s WALL ( 1 calls) Called by electrons: c_bands : 176.00s CPU 178.16s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.10s CPU 0.18s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.11s CPU 0.13s WALL ( 390 calls) cegterg : 153.62s CPU 154.95s WALL ( 520 calls) Called by sum_band: Called by *egterg: h_psi : 115.90s CPU 117.37s WALL ( 8451 calls) s_psi : 4.45s CPU 4.33s WALL ( 8451 calls) g_psi : 0.40s CPU 0.38s WALL ( 7541 calls) cdiaghg : 31.13s CPU 31.20s WALL ( 7931 calls) cegterg:over : 6.14s CPU 6.21s WALL ( 7541 calls) cegterg:upda : 7.31s CPU 7.35s WALL ( 7541 calls) cegterg:last : 3.35s CPU 3.33s WALL ( 1458 calls) cdiaghg:chol : 1.95s CPU 1.88s WALL ( 7931 calls) cdiaghg:inve : 0.82s CPU 0.82s WALL ( 7931 calls) cdiaghg:para : 1.81s CPU 1.81s WALL ( 15862 calls) Called by h_psi: h_psi:vloc : 104.64s CPU 105.90s WALL ( 8451 calls) h_psi:vnl : 10.92s CPU 11.12s WALL ( 8451 calls) add_vuspsi : 5.16s CPU 5.21s WALL ( 8451 calls) General routines calbec : 5.74s CPU 5.89s WALL ( 8451 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 96.66s CPU 97.80s WALL ( 606752 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.28s CPU 0.31s WALL ( 780 calls) Parallel routines fft_scatter : 32.66s CPU 33.28s WALL ( 606775 calls) PWSCF : 3m16.54s CPU 3m30.97s WALL This run was terminated on: 14:29:21 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=