Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 13:17:12 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: ./NbSiAs.save/ file Nb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 4P 4P 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 25 18 5 1329 796 131 Max 26 19 6 1336 823 140 Sum 933 665 197 47953 29185 4825 bravais-lattice index = 14 lattice parameter (alat) = 6.5967 a.u. unit-cell volume = 649.5754 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 44.00 number of Kohn-Sham states= 52 kinetic-energy cutoff = 48.0000 Ry charge density cutoff = 267.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.596655 celldm(2)= 1.000000 celldm(3)= 2.262862 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 2.262862 ) 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 0.441918 ) PseudoPot. # 1 for As read from file: /users/gautes/Pseudo/As.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 91883ac77fc8b4c49e33555c42516b17 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1209 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Si read from file: /users/gautes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Nb read from file: /users/gautes/Pseudo/Nb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: c1e153ab096482f446ae869583c6ae55 Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1227 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential As 5.00 74.92160 As( 1.00) Si 4.00 28.08550 Si( 1.00) Nb 13.00 92.90640 Nb( 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= 377 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026525 k( 2) = ( 0.0000000 0.0111111 -0.0000000), wk = 0.0026525 k( 3) = ( 0.0000000 0.0222222 -0.0000000), wk = 0.0026525 k( 4) = ( 0.0000000 0.0333333 -0.0000000), wk = 0.0026525 k( 5) = ( 0.0000000 0.0444444 -0.0000000), wk = 0.0026525 k( 6) = ( 0.0000000 0.0555556 -0.0000000), wk = 0.0026525 k( 7) = ( 0.0000000 0.0666667 -0.0000000), wk = 0.0026525 k( 8) = ( 0.0000000 0.0777778 -0.0000000), wk = 0.0026525 k( 9) = ( 0.0000000 0.0888889 -0.0000000), wk = 0.0026525 k( 10) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0026525 k( 11) = ( 0.0000000 0.1111111 -0.0000000), wk = 0.0026525 k( 12) = ( 0.0000000 0.1222222 -0.0000000), wk = 0.0026525 k( 13) = ( 0.0000000 0.1333333 -0.0000000), wk = 0.0026525 k( 14) = ( 0.0000000 0.1444444 -0.0000000), wk = 0.0026525 k( 15) = ( 0.0000000 0.1555556 -0.0000000), wk = 0.0026525 k( 16) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0026525 k( 17) = ( 0.0000000 0.1777778 -0.0000000), wk = 0.0026525 k( 18) = ( 0.0000000 0.1888889 -0.0000000), wk = 0.0026525 k( 19) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0026525 k( 20) = ( 0.0000000 0.2111111 -0.0000000), wk = 0.0026525 k( 21) = ( 0.0000000 0.2222222 -0.0000000), wk = 0.0026525 k( 22) = ( 0.0000000 0.2333333 -0.0000000), wk = 0.0026525 k( 23) = ( 0.0000000 0.2444444 -0.0000000), wk = 0.0026525 k( 24) = ( 0.0000000 0.2555556 -0.0000000), wk = 0.0026525 k( 25) = ( 0.0000000 0.2666667 -0.0000000), wk = 0.0026525 k( 26) = ( 0.0000000 0.2777778 -0.0000000), wk = 0.0026525 k( 27) = ( 0.0000000 0.2888889 -0.0000000), wk = 0.0026525 k( 28) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0026525 k( 29) = ( 0.0000000 0.3111111 -0.0000000), wk = 0.0026525 k( 30) = ( 0.0000000 0.3222222 -0.0000000), wk = 0.0026525 k( 31) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0026525 k( 32) = ( 0.0000000 0.3444444 -0.0000000), wk = 0.0026525 k( 33) = ( 0.0000000 0.3555556 -0.0000000), wk = 0.0026525 k( 34) = ( 0.0000000 0.3666667 -0.0000000), wk = 0.0026525 k( 35) = ( 0.0000000 0.3777778 -0.0000000), wk = 0.0026525 k( 36) = ( 0.0000000 0.3888889 -0.0000000), wk = 0.0026525 k( 37) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0026525 k( 38) = ( 0.0000000 0.4111111 -0.0000000), wk = 0.0026525 k( 39) = ( 0.0000000 0.4222222 -0.0000000), wk = 0.0026525 k( 40) = ( 0.0000000 0.4333333 -0.0000000), wk = 0.0026525 k( 41) = ( 0.0000000 0.4444444 -0.0000000), wk = 0.0026525 k( 42) = ( 0.0000000 0.4555556 -0.0000000), wk = 0.0026525 k( 43) = ( 0.0000000 0.4666667 -0.0000000), wk = 0.0026525 k( 44) = ( 0.0000000 0.4777778 -0.0000000), wk = 0.0026525 k( 45) = ( 0.0000000 0.4888889 -0.0000000), wk = 0.0026525 k( 46) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026525 k( 47) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026525 k( 48) = ( 0.0111111 0.5000000 -0.0000000), wk = 0.0026525 k( 49) = ( 0.0222222 0.5000000 -0.0000000), wk = 0.0026525 k( 50) = ( 0.0333333 0.5000000 -0.0000000), wk = 0.0026525 k( 51) = ( 0.0444444 0.5000000 -0.0000000), wk = 0.0026525 k( 52) = ( 0.0555556 0.5000000 -0.0000000), wk = 0.0026525 k( 53) = ( 0.0666667 0.5000000 -0.0000000), wk = 0.0026525 k( 54) = ( 0.0777778 0.5000000 -0.0000000), wk = 0.0026525 k( 55) = ( 0.0888889 0.5000000 -0.0000000), wk = 0.0026525 k( 56) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0026525 k( 57) = ( 0.1111111 0.5000000 -0.0000000), wk = 0.0026525 k( 58) = ( 0.1222222 0.5000000 -0.0000000), wk = 0.0026525 k( 59) = ( 0.1333333 0.5000000 -0.0000000), wk = 0.0026525 k( 60) = ( 0.1444444 0.5000000 -0.0000000), wk = 0.0026525 k( 61) = ( 0.1555556 0.5000000 -0.0000000), wk = 0.0026525 k( 62) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0026525 k( 63) = ( 0.1777778 0.5000000 -0.0000000), wk = 0.0026525 k( 64) = ( 0.1888889 0.5000000 -0.0000000), wk = 0.0026525 k( 65) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0026525 k( 66) = ( 0.2111111 0.5000000 -0.0000000), wk = 0.0026525 k( 67) = ( 0.2222222 0.5000000 -0.0000000), wk = 0.0026525 k( 68) = ( 0.2333333 0.5000000 -0.0000000), wk = 0.0026525 k( 69) = ( 0.2444444 0.5000000 -0.0000000), wk = 0.0026525 k( 70) = ( 0.2555556 0.5000000 -0.0000000), wk = 0.0026525 k( 71) = ( 0.2666667 0.5000000 -0.0000000), wk = 0.0026525 k( 72) = ( 0.2777778 0.5000000 -0.0000000), wk = 0.0026525 k( 73) = ( 0.2888889 0.5000000 -0.0000000), wk = 0.0026525 k( 74) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0026525 k( 75) = ( 0.3111111 0.5000000 -0.0000000), wk = 0.0026525 k( 76) = ( 0.3222222 0.5000000 -0.0000000), wk = 0.0026525 k( 77) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0026525 k( 78) = ( 0.3444444 0.5000000 -0.0000000), wk = 0.0026525 k( 79) = ( 0.3555556 0.5000000 -0.0000000), wk = 0.0026525 k( 80) = ( 0.3666667 0.5000000 -0.0000000), wk = 0.0026525 k( 81) = ( 0.3777778 0.5000000 -0.0000000), wk = 0.0026525 k( 82) = ( 0.3888889 0.5000000 -0.0000000), wk = 0.0026525 k( 83) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0026525 k( 84) = ( 0.4111111 0.5000000 -0.0000000), wk = 0.0026525 k( 85) = ( 0.4222222 0.5000000 -0.0000000), wk = 0.0026525 k( 86) = ( 0.4333333 0.5000000 -0.0000000), wk = 0.0026525 k( 87) = ( 0.4444444 0.5000000 -0.0000000), wk = 0.0026525 k( 88) = ( 0.4555556 0.5000000 -0.0000000), wk = 0.0026525 k( 89) = ( 0.4666667 0.5000000 -0.0000000), wk = 0.0026525 k( 90) = ( 0.4777778 0.5000000 -0.0000000), wk = 0.0026525 k( 91) = ( 0.4888889 0.5000000 -0.0000000), wk = 0.0026525 k( 92) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026525 k( 93) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026525 k( 94) = ( 0.4921875 0.4921875 -0.0000000), wk = 0.0026525 k( 95) = ( 0.4843750 0.4843750 -0.0000000), wk = 0.0026525 k( 96) = ( 0.4765625 0.4765625 -0.0000000), wk = 0.0026525 k( 97) = ( 0.4687500 0.4687500 -0.0000000), wk = 0.0026525 k( 98) = ( 0.4609375 0.4609375 -0.0000000), wk = 0.0026525 k( 99) = ( 0.4531250 0.4531250 -0.0000000), wk = 0.0026525 k( 100) = ( 0.4453125 0.4453125 -0.0000000), wk = 0.0026525 k( 101) = ( 0.4375000 0.4375000 -0.0000000), wk = 0.0026525 k( 102) = ( 0.4296875 0.4296875 -0.0000000), wk = 0.0026525 k( 103) = ( 0.4218750 0.4218750 -0.0000000), wk = 0.0026525 k( 104) = ( 0.4140625 0.4140625 -0.0000000), wk = 0.0026525 k( 105) = ( 0.4062500 0.4062500 -0.0000000), wk = 0.0026525 k( 106) = ( 0.3984375 0.3984375 -0.0000000), wk = 0.0026525 k( 107) = ( 0.3906250 0.3906250 -0.0000000), wk = 0.0026525 k( 108) = ( 0.3828125 0.3828125 -0.0000000), wk = 0.0026525 k( 109) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0026525 k( 110) = ( 0.3671875 0.3671875 -0.0000000), wk = 0.0026525 k( 111) = ( 0.3593750 0.3593750 -0.0000000), wk = 0.0026525 k( 112) = ( 0.3515625 0.3515625 -0.0000000), wk = 0.0026525 k( 113) = ( 0.3437500 0.3437500 -0.0000000), wk = 0.0026525 k( 114) = ( 0.3359375 0.3359375 -0.0000000), wk = 0.0026525 k( 115) = ( 0.3281250 0.3281250 -0.0000000), wk = 0.0026525 k( 116) = ( 0.3203125 0.3203125 -0.0000000), wk = 0.0026525 k( 117) = ( 0.3125000 0.3125000 -0.0000000), wk = 0.0026525 k( 118) = ( 0.3046875 0.3046875 -0.0000000), wk = 0.0026525 k( 119) = ( 0.2968750 0.2968750 -0.0000000), wk = 0.0026525 k( 120) = ( 0.2890625 0.2890625 -0.0000000), wk = 0.0026525 k( 121) = ( 0.2812500 0.2812500 -0.0000000), wk = 0.0026525 k( 122) = ( 0.2734375 0.2734375 -0.0000000), wk = 0.0026525 k( 123) = ( 0.2656250 0.2656250 -0.0000000), wk = 0.0026525 k( 124) = ( 0.2578125 0.2578125 -0.0000000), wk = 0.0026525 k( 125) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0026525 k( 126) = ( 0.2421875 0.2421875 -0.0000000), wk = 0.0026525 k( 127) = ( 0.2343750 0.2343750 -0.0000000), wk = 0.0026525 k( 128) = ( 0.2265625 0.2265625 -0.0000000), wk = 0.0026525 k( 129) = ( 0.2187500 0.2187500 -0.0000000), wk = 0.0026525 k( 130) = ( 0.2109375 0.2109375 -0.0000000), wk = 0.0026525 k( 131) = ( 0.2031250 0.2031250 -0.0000000), wk = 0.0026525 k( 132) = ( 0.1953125 0.1953125 -0.0000000), wk = 0.0026525 k( 133) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0026525 k( 134) = ( 0.1796875 0.1796875 -0.0000000), wk = 0.0026525 k( 135) = ( 0.1718750 0.1718750 -0.0000000), wk = 0.0026525 k( 136) = ( 0.1640625 0.1640625 -0.0000000), wk = 0.0026525 k( 137) = ( 0.1562500 0.1562500 -0.0000000), wk = 0.0026525 k( 138) = ( 0.1484375 0.1484375 -0.0000000), wk = 0.0026525 k( 139) = ( 0.1406250 0.1406250 -0.0000000), wk = 0.0026525 k( 140) = ( 0.1328125 0.1328125 -0.0000000), wk = 0.0026525 k( 141) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0026525 k( 142) = ( 0.1171875 0.1171875 -0.0000000), wk = 0.0026525 k( 143) = ( 0.1093750 0.1093750 -0.0000000), wk = 0.0026525 k( 144) = ( 0.1015625 0.1015625 -0.0000000), wk = 0.0026525 k( 145) = ( 0.0937500 0.0937500 -0.0000000), wk = 0.0026525 k( 146) = ( 0.0859375 0.0859375 -0.0000000), wk = 0.0026525 k( 147) = ( 0.0781250 0.0781250 -0.0000000), wk = 0.0026525 k( 148) = ( 0.0703125 0.0703125 -0.0000000), wk = 0.0026525 k( 149) = ( 0.0625000 0.0625000 -0.0000000), wk = 0.0026525 k( 150) = ( 0.0546875 0.0546875 -0.0000000), wk = 0.0026525 k( 151) = ( 0.0468750 0.0468750 -0.0000000), wk = 0.0026525 k( 152) = ( 0.0390625 0.0390625 -0.0000000), wk = 0.0026525 k( 153) = ( 0.0312500 0.0312500 -0.0000000), wk = 0.0026525 k( 154) = ( 0.0234375 0.0234375 -0.0000000), wk = 0.0026525 k( 155) = ( 0.0156250 0.0156250 -0.0000000), wk = 0.0026525 k( 156) = ( 0.0078125 0.0078125 -0.0000000), wk = 0.0026525 k( 157) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026525 k( 158) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026525 k( 159) = ( 0.0000000 0.0000000 0.0110480), wk = 0.0026525 k( 160) = ( 0.0000000 0.0000000 0.0220959), wk = 0.0026525 k( 161) = ( 0.0000000 0.0000000 0.0331439), wk = 0.0026525 k( 162) = ( 0.0000000 0.0000000 0.0441918), wk = 0.0026525 k( 163) = ( 0.0000000 0.0000000 0.0552398), wk = 0.0026525 k( 164) = ( 0.0000000 0.0000000 0.0662877), wk = 0.0026525 k( 165) = ( 0.0000000 0.0000000 0.0773357), wk = 0.0026525 k( 166) = ( 0.0000000 0.0000000 0.0883836), wk = 0.0026525 k( 167) = ( 0.0000000 0.0000000 0.0994316), wk = 0.0026525 k( 168) = ( 0.0000000 0.0000000 0.1104795), wk = 0.0026525 k( 169) = ( 0.0000000 0.0000000 0.1215275), wk = 0.0026525 k( 170) = ( 0.0000000 0.0000000 0.1325755), wk = 0.0026525 k( 171) = ( 0.0000000 0.0000000 0.1436234), wk = 0.0026525 k( 172) = ( 0.0000000 0.0000000 0.1546714), wk = 0.0026525 k( 173) = ( 0.0000000 0.0000000 0.1657193), wk = 0.0026525 k( 174) = ( 0.0000000 0.0000000 0.1767673), wk = 0.0026525 k( 175) = ( 0.0000000 0.0000000 0.1878152), wk = 0.0026525 k( 176) = ( 0.0000000 0.0000000 0.1988632), wk = 0.0026525 k( 177) = ( 0.0000000 0.0000000 0.2099111), wk = 0.0026525 k( 178) = ( 0.0000000 0.0000000 0.2209591), wk = 0.0026525 k( 179) = ( 0.0000000 0.0000000 0.2209591), wk = 0.0026525 k( 180) = ( 0.0000000 0.0111111 0.2209591), wk = 0.0026525 k( 181) = ( 0.0000000 0.0222222 0.2209591), wk = 0.0026525 k( 182) = ( 0.0000000 0.0333333 0.2209591), wk = 0.0026525 k( 183) = ( 0.0000000 0.0444444 0.2209591), wk = 0.0026525 k( 184) = ( 0.0000000 0.0555556 0.2209591), wk = 0.0026525 k( 185) = ( 0.0000000 0.0666667 0.2209591), wk = 0.0026525 k( 186) = ( 0.0000000 0.0777778 0.2209591), wk = 0.0026525 k( 187) = ( 0.0000000 0.0888889 0.2209591), wk = 0.0026525 k( 188) = ( 0.0000000 0.1000000 0.2209591), wk = 0.0026525 k( 189) = ( 0.0000000 0.1111111 0.2209591), wk = 0.0026525 k( 190) = ( 0.0000000 0.1222222 0.2209591), wk = 0.0026525 k( 191) = ( 0.0000000 0.1333333 0.2209591), wk = 0.0026525 k( 192) = ( 0.0000000 0.1444444 0.2209591), wk = 0.0026525 k( 193) = ( 0.0000000 0.1555556 0.2209591), wk = 0.0026525 k( 194) = ( 0.0000000 0.1666667 0.2209591), wk = 0.0026525 k( 195) = ( 0.0000000 0.1777778 0.2209591), wk = 0.0026525 k( 196) = ( 0.0000000 0.1888889 0.2209591), wk = 0.0026525 k( 197) = ( 0.0000000 0.2000000 0.2209591), wk = 0.0026525 k( 198) = ( 0.0000000 0.2111111 0.2209591), wk = 0.0026525 k( 199) = ( 0.0000000 0.2222222 0.2209591), wk = 0.0026525 k( 200) = ( 0.0000000 0.2333333 0.2209591), wk = 0.0026525 k( 201) = ( 0.0000000 0.2444444 0.2209591), wk = 0.0026525 k( 202) = ( 0.0000000 0.2555556 0.2209591), wk = 0.0026525 k( 203) = ( 0.0000000 0.2666667 0.2209591), wk = 0.0026525 k( 204) = ( 0.0000000 0.2777778 0.2209591), wk = 0.0026525 k( 205) = ( 0.0000000 0.2888889 0.2209591), wk = 0.0026525 k( 206) = ( 0.0000000 0.3000000 0.2209591), wk = 0.0026525 k( 207) = ( 0.0000000 0.3111111 0.2209591), wk = 0.0026525 k( 208) = ( 0.0000000 0.3222222 0.2209591), wk = 0.0026525 k( 209) = ( 0.0000000 0.3333333 0.2209591), wk = 0.0026525 k( 210) = ( 0.0000000 0.3444444 0.2209591), wk = 0.0026525 k( 211) = ( 0.0000000 0.3555556 0.2209591), wk = 0.0026525 k( 212) = ( 0.0000000 0.3666667 0.2209591), wk = 0.0026525 k( 213) = ( 0.0000000 0.3777778 0.2209591), wk = 0.0026525 k( 214) = ( 0.0000000 0.3888889 0.2209591), wk = 0.0026525 k( 215) = ( 0.0000000 0.4000000 0.2209591), wk = 0.0026525 k( 216) = ( 0.0000000 0.4111111 0.2209591), wk = 0.0026525 k( 217) = ( 0.0000000 0.4222222 0.2209591), wk = 0.0026525 k( 218) = ( 0.0000000 0.4333333 0.2209591), wk = 0.0026525 k( 219) = ( 0.0000000 0.4444444 0.2209591), wk = 0.0026525 k( 220) = ( 0.0000000 0.4555556 0.2209591), wk = 0.0026525 k( 221) = ( 0.0000000 0.4666667 0.2209591), wk = 0.0026525 k( 222) = ( 0.0000000 0.4777778 0.2209591), wk = 0.0026525 k( 223) = ( 0.0000000 0.4888889 0.2209591), wk = 0.0026525 k( 224) = ( 0.0000000 0.5000000 0.2209591), wk = 0.0026525 k( 225) = ( 0.0000000 0.5000000 0.2209591), wk = 0.0026525 k( 226) = ( 0.0111111 0.5000000 0.2209591), wk = 0.0026525 k( 227) = ( 0.0222222 0.5000000 0.2209591), wk = 0.0026525 k( 228) = ( 0.0333333 0.5000000 0.2209591), wk = 0.0026525 k( 229) = ( 0.0444444 0.5000000 0.2209591), wk = 0.0026525 k( 230) = ( 0.0555556 0.5000000 0.2209591), wk = 0.0026525 k( 231) = ( 0.0666667 0.5000000 0.2209591), wk = 0.0026525 k( 232) = ( 0.0777778 0.5000000 0.2209591), wk = 0.0026525 k( 233) = ( 0.0888889 0.5000000 0.2209591), wk = 0.0026525 k( 234) = ( 0.1000000 0.5000000 0.2209591), wk = 0.0026525 k( 235) = ( 0.1111111 0.5000000 0.2209591), wk = 0.0026525 k( 236) = ( 0.1222222 0.5000000 0.2209591), wk = 0.0026525 k( 237) = ( 0.1333333 0.5000000 0.2209591), wk = 0.0026525 k( 238) = ( 0.1444444 0.5000000 0.2209591), wk = 0.0026525 k( 239) = ( 0.1555556 0.5000000 0.2209591), wk = 0.0026525 k( 240) = ( 0.1666667 0.5000000 0.2209591), wk = 0.0026525 k( 241) = ( 0.1777778 0.5000000 0.2209591), wk = 0.0026525 k( 242) = ( 0.1888889 0.5000000 0.2209591), wk = 0.0026525 k( 243) = ( 0.2000000 0.5000000 0.2209591), wk = 0.0026525 k( 244) = ( 0.2111111 0.5000000 0.2209591), wk = 0.0026525 k( 245) = ( 0.2222222 0.5000000 0.2209591), wk = 0.0026525 k( 246) = ( 0.2333333 0.5000000 0.2209591), wk = 0.0026525 k( 247) = ( 0.2444444 0.5000000 0.2209591), wk = 0.0026525 k( 248) = ( 0.2555556 0.5000000 0.2209591), wk = 0.0026525 k( 249) = ( 0.2666667 0.5000000 0.2209591), wk = 0.0026525 k( 250) = ( 0.2777778 0.5000000 0.2209591), wk = 0.0026525 k( 251) = ( 0.2888889 0.5000000 0.2209591), wk = 0.0026525 k( 252) = ( 0.3000000 0.5000000 0.2209591), wk = 0.0026525 k( 253) = ( 0.3111111 0.5000000 0.2209591), wk = 0.0026525 k( 254) = ( 0.3222222 0.5000000 0.2209591), wk = 0.0026525 k( 255) = ( 0.3333333 0.5000000 0.2209591), wk = 0.0026525 k( 256) = ( 0.3444444 0.5000000 0.2209591), wk = 0.0026525 k( 257) = ( 0.3555556 0.5000000 0.2209591), wk = 0.0026525 k( 258) = ( 0.3666667 0.5000000 0.2209591), wk = 0.0026525 k( 259) = ( 0.3777778 0.5000000 0.2209591), wk = 0.0026525 k( 260) = ( 0.3888889 0.5000000 0.2209591), wk = 0.0026525 k( 261) = ( 0.4000000 0.5000000 0.2209591), wk = 0.0026525 k( 262) = ( 0.4111111 0.5000000 0.2209591), wk = 0.0026525 k( 263) = ( 0.4222222 0.5000000 0.2209591), wk = 0.0026525 k( 264) = ( 0.4333333 0.5000000 0.2209591), wk = 0.0026525 k( 265) = ( 0.4444444 0.5000000 0.2209591), wk = 0.0026525 k( 266) = ( 0.4555556 0.5000000 0.2209591), wk = 0.0026525 k( 267) = ( 0.4666667 0.5000000 0.2209591), wk = 0.0026525 k( 268) = ( 0.4777778 0.5000000 0.2209591), wk = 0.0026525 k( 269) = ( 0.4888889 0.5000000 0.2209591), wk = 0.0026525 k( 270) = ( 0.5000000 0.5000000 0.2209591), wk = 0.0026525 k( 271) = ( 0.5000000 0.5000000 0.2209591), wk = 0.0026525 k( 272) = ( 0.4921875 0.4921875 0.2209591), wk = 0.0026525 k( 273) = ( 0.4843750 0.4843750 0.2209591), wk = 0.0026525 k( 274) = ( 0.4765625 0.4765625 0.2209591), wk = 0.0026525 k( 275) = ( 0.4687500 0.4687500 0.2209591), wk = 0.0026525 k( 276) = ( 0.4609375 0.4609375 0.2209591), wk = 0.0026525 k( 277) = ( 0.4531250 0.4531250 0.2209591), wk = 0.0026525 k( 278) = ( 0.4453125 0.4453125 0.2209591), wk = 0.0026525 k( 279) = ( 0.4375000 0.4375000 0.2209591), wk = 0.0026525 k( 280) = ( 0.4296875 0.4296875 0.2209591), wk = 0.0026525 k( 281) = ( 0.4218750 0.4218750 0.2209591), wk = 0.0026525 k( 282) = ( 0.4140625 0.4140625 0.2209591), wk = 0.0026525 k( 283) = ( 0.4062500 0.4062500 0.2209591), wk = 0.0026525 k( 284) = ( 0.3984375 0.3984375 0.2209591), wk = 0.0026525 k( 285) = ( 0.3906250 0.3906250 0.2209591), wk = 0.0026525 k( 286) = ( 0.3828125 0.3828125 0.2209591), wk = 0.0026525 k( 287) = ( 0.3750000 0.3750000 0.2209591), wk = 0.0026525 k( 288) = ( 0.3671875 0.3671875 0.2209591), wk = 0.0026525 k( 289) = ( 0.3593750 0.3593750 0.2209591), wk = 0.0026525 k( 290) = ( 0.3515625 0.3515625 0.2209591), wk = 0.0026525 k( 291) = ( 0.3437500 0.3437500 0.2209591), wk = 0.0026525 k( 292) = ( 0.3359375 0.3359375 0.2209591), wk = 0.0026525 k( 293) = ( 0.3281250 0.3281250 0.2209591), wk = 0.0026525 k( 294) = ( 0.3203125 0.3203125 0.2209591), wk = 0.0026525 k( 295) = ( 0.3125000 0.3125000 0.2209591), wk = 0.0026525 k( 296) = ( 0.3046875 0.3046875 0.2209591), wk = 0.0026525 k( 297) = ( 0.2968750 0.2968750 0.2209591), wk = 0.0026525 k( 298) = ( 0.2890625 0.2890625 0.2209591), wk = 0.0026525 k( 299) = ( 0.2812500 0.2812500 0.2209591), wk = 0.0026525 k( 300) = ( 0.2734375 0.2734375 0.2209591), wk = 0.0026525 k( 301) = ( 0.2656250 0.2656250 0.2209591), wk = 0.0026525 k( 302) = ( 0.2578125 0.2578125 0.2209591), wk = 0.0026525 k( 303) = ( 0.2500000 0.2500000 0.2209591), wk = 0.0026525 k( 304) = ( 0.2421875 0.2421875 0.2209591), wk = 0.0026525 k( 305) = ( 0.2343750 0.2343750 0.2209591), wk = 0.0026525 k( 306) = ( 0.2265625 0.2265625 0.2209591), wk = 0.0026525 k( 307) = ( 0.2187500 0.2187500 0.2209591), wk = 0.0026525 k( 308) = ( 0.2109375 0.2109375 0.2209591), wk = 0.0026525 k( 309) = ( 0.2031250 0.2031250 0.2209591), wk = 0.0026525 k( 310) = ( 0.1953125 0.1953125 0.2209591), wk = 0.0026525 k( 311) = ( 0.1875000 0.1875000 0.2209591), wk = 0.0026525 k( 312) = ( 0.1796875 0.1796875 0.2209591), wk = 0.0026525 k( 313) = ( 0.1718750 0.1718750 0.2209591), wk = 0.0026525 k( 314) = ( 0.1640625 0.1640625 0.2209591), wk = 0.0026525 k( 315) = ( 0.1562500 0.1562500 0.2209591), wk = 0.0026525 k( 316) = ( 0.1484375 0.1484375 0.2209591), wk = 0.0026525 k( 317) = ( 0.1406250 0.1406250 0.2209591), wk = 0.0026525 k( 318) = ( 0.1328125 0.1328125 0.2209591), wk = 0.0026525 k( 319) = ( 0.1250000 0.1250000 0.2209591), wk = 0.0026525 k( 320) = ( 0.1171875 0.1171875 0.2209591), wk = 0.0026525 k( 321) = ( 0.1093750 0.1093750 0.2209591), wk = 0.0026525 k( 322) = ( 0.1015625 0.1015625 0.2209591), wk = 0.0026525 k( 323) = ( 0.0937500 0.0937500 0.2209591), wk = 0.0026525 k( 324) = ( 0.0859375 0.0859375 0.2209591), wk = 0.0026525 k( 325) = ( 0.0781250 0.0781250 0.2209591), wk = 0.0026525 k( 326) = ( 0.0703125 0.0703125 0.2209591), wk = 0.0026525 k( 327) = ( 0.0625000 0.0625000 0.2209591), wk = 0.0026525 k( 328) = ( 0.0546875 0.0546875 0.2209591), wk = 0.0026525 k( 329) = ( 0.0468750 0.0468750 0.2209591), wk = 0.0026525 k( 330) = ( 0.0390625 0.0390625 0.2209591), wk = 0.0026525 k( 331) = ( 0.0312500 0.0312500 0.2209591), wk = 0.0026525 k( 332) = ( 0.0234375 0.0234375 0.2209591), wk = 0.0026525 k( 333) = ( 0.0156250 0.0156250 0.2209591), wk = 0.0026525 k( 334) = ( 0.0078125 0.0078125 0.2209591), wk = 0.0026525 k( 335) = ( 0.0000000 0.0000000 0.2209591), wk = 0.0026525 k( 336) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026525 k( 337) = ( 0.0000000 0.5000000 0.0110480), wk = 0.0026525 k( 338) = ( 0.0000000 0.5000000 0.0220959), wk = 0.0026525 k( 339) = ( 0.0000000 0.5000000 0.0331439), wk = 0.0026525 k( 340) = ( 0.0000000 0.5000000 0.0441918), wk = 0.0026525 k( 341) = ( 0.0000000 0.5000000 0.0552398), wk = 0.0026525 k( 342) = ( 0.0000000 0.5000000 0.0662877), wk = 0.0026525 k( 343) = ( 0.0000000 0.5000000 0.0773357), wk = 0.0026525 k( 344) = ( 0.0000000 0.5000000 0.0883836), wk = 0.0026525 k( 345) = ( 0.0000000 0.5000000 0.0994316), wk = 0.0026525 k( 346) = ( 0.0000000 0.5000000 0.1104795), wk = 0.0026525 k( 347) = ( 0.0000000 0.5000000 0.1215275), wk = 0.0026525 k( 348) = ( 0.0000000 0.5000000 0.1325755), wk = 0.0026525 k( 349) = ( 0.0000000 0.5000000 0.1436234), wk = 0.0026525 k( 350) = ( 0.0000000 0.5000000 0.1546714), wk = 0.0026525 k( 351) = ( 0.0000000 0.5000000 0.1657193), wk = 0.0026525 k( 352) = ( 0.0000000 0.5000000 0.1767673), wk = 0.0026525 k( 353) = ( 0.0000000 0.5000000 0.1878152), wk = 0.0026525 k( 354) = ( 0.0000000 0.5000000 0.1988632), wk = 0.0026525 k( 355) = ( 0.0000000 0.5000000 0.2099111), wk = 0.0026525 k( 356) = ( 0.0000000 0.5000000 0.2209591), wk = 0.0026525 k( 357) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026525 k( 358) = ( 0.5000000 0.5000000 0.0110480), wk = 0.0026525 k( 359) = ( 0.5000000 0.5000000 0.0220959), wk = 0.0026525 k( 360) = ( 0.5000000 0.5000000 0.0331439), wk = 0.0026525 k( 361) = ( 0.5000000 0.5000000 0.0441918), wk = 0.0026525 k( 362) = ( 0.5000000 0.5000000 0.0552398), wk = 0.0026525 k( 363) = ( 0.5000000 0.5000000 0.0662877), wk = 0.0026525 k( 364) = ( 0.5000000 0.5000000 0.0773357), wk = 0.0026525 k( 365) = ( 0.5000000 0.5000000 0.0883836), wk = 0.0026525 k( 366) = ( 0.5000000 0.5000000 0.0994316), wk = 0.0026525 k( 367) = ( 0.5000000 0.5000000 0.1104795), wk = 0.0026525 k( 368) = ( 0.5000000 0.5000000 0.1215275), wk = 0.0026525 k( 369) = ( 0.5000000 0.5000000 0.1325755), wk = 0.0026525 k( 370) = ( 0.5000000 0.5000000 0.1436234), wk = 0.0026525 k( 371) = ( 0.5000000 0.5000000 0.1546714), wk = 0.0026525 k( 372) = ( 0.5000000 0.5000000 0.1657193), wk = 0.0026525 k( 373) = ( 0.5000000 0.5000000 0.1767673), wk = 0.0026525 k( 374) = ( 0.5000000 0.5000000 0.1878152), wk = 0.0026525 k( 375) = ( 0.5000000 0.5000000 0.1988632), wk = 0.0026525 k( 376) = ( 0.5000000 0.5000000 0.2099111), wk = 0.0026525 k( 377) = ( 0.5000000 0.5000000 0.2209591), wk = 0.0026525 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026525 k( 2) = ( 0.0000000 0.0111111 -0.0000000), wk = 0.0026525 k( 3) = ( 0.0000000 0.0222222 -0.0000000), wk = 0.0026525 k( 4) = ( 0.0000000 0.0333333 0.0000000), wk = 0.0026525 k( 5) = ( 0.0000000 0.0444444 -0.0000000), wk = 0.0026525 k( 6) = ( 0.0000000 0.0555556 -0.0000000), wk = 0.0026525 k( 7) = ( 0.0000000 0.0666667 -0.0000000), wk = 0.0026525 k( 8) = ( 0.0000000 0.0777778 0.0000000), wk = 0.0026525 k( 9) = ( 0.0000000 0.0888889 0.0000000), wk = 0.0026525 k( 10) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0026525 k( 11) = ( 0.0000000 0.1111111 0.0000000), wk = 0.0026525 k( 12) = ( 0.0000000 0.1222222 -0.0000000), wk = 0.0026525 k( 13) = ( 0.0000000 0.1333333 0.0000000), wk = 0.0026525 k( 14) = ( 0.0000000 0.1444444 0.0000000), wk = 0.0026525 k( 15) = ( 0.0000000 0.1555556 0.0000000), wk = 0.0026525 k( 16) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0026525 k( 17) = ( 0.0000000 0.1777778 0.0000000), wk = 0.0026525 k( 18) = ( 0.0000000 0.1888889 0.0000000), wk = 0.0026525 k( 19) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0026525 k( 20) = ( 0.0000000 0.2111111 0.0000000), wk = 0.0026525 k( 21) = ( 0.0000000 0.2222222 0.0000000), wk = 0.0026525 k( 22) = ( 0.0000000 0.2333333 0.0000000), wk = 0.0026525 k( 23) = ( 0.0000000 0.2444444 -0.0000000), wk = 0.0026525 k( 24) = ( 0.0000000 0.2555556 0.0000000), wk = 0.0026525 k( 25) = ( 0.0000000 0.2666667 0.0000000), wk = 0.0026525 k( 26) = ( 0.0000000 0.2777778 0.0000000), wk = 0.0026525 k( 27) = ( 0.0000000 0.2888889 -0.0000000), wk = 0.0026525 k( 28) = ( 0.0000000 0.3000000 0.0000000), wk = 0.0026525 k( 29) = ( 0.0000000 0.3111111 0.0000000), wk = 0.0026525 k( 30) = ( 0.0000000 0.3222222 -0.0000000), wk = 0.0026525 k( 31) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0026525 k( 32) = ( 0.0000000 0.3444444 0.0000000), wk = 0.0026525 k( 33) = ( 0.0000000 0.3555556 0.0000000), wk = 0.0026525 k( 34) = ( 0.0000000 0.3666667 -0.0000000), wk = 0.0026525 k( 35) = ( 0.0000000 0.3777778 0.0000000), wk = 0.0026525 k( 36) = ( 0.0000000 0.3888889 0.0000000), wk = 0.0026525 k( 37) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0026525 k( 38) = ( 0.0000000 0.4111111 0.0000000), wk = 0.0026525 k( 39) = ( 0.0000000 0.4222222 0.0000000), wk = 0.0026525 k( 40) = ( 0.0000000 0.4333333 -0.0000000), wk = 0.0026525 k( 41) = ( 0.0000000 0.4444444 0.0000000), wk = 0.0026525 k( 42) = ( 0.0000000 0.4555556 0.0000000), wk = 0.0026525 k( 43) = ( 0.0000000 0.4666667 0.0000000), wk = 0.0026525 k( 44) = ( 0.0000000 0.4777778 -0.0000000), wk = 0.0026525 k( 45) = ( 0.0000000 0.4888889 0.0000000), wk = 0.0026525 k( 46) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026525 k( 47) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026525 k( 48) = ( 0.0111111 0.5000000 0.0000000), wk = 0.0026525 k( 49) = ( 0.0222222 0.5000000 0.0000000), wk = 0.0026525 k( 50) = ( 0.0333333 0.5000000 0.0000000), wk = 0.0026525 k( 51) = ( 0.0444444 0.5000000 0.0000000), wk = 0.0026525 k( 52) = ( 0.0555556 0.5000000 0.0000000), wk = 0.0026525 k( 53) = ( 0.0666667 0.5000000 -0.0000000), wk = 0.0026525 k( 54) = ( 0.0777778 0.5000000 -0.0000000), wk = 0.0026525 k( 55) = ( 0.0888889 0.5000000 -0.0000000), wk = 0.0026525 k( 56) = ( 0.1000000 0.5000000 0.0000000), wk = 0.0026525 k( 57) = ( 0.1111111 0.5000000 0.0000000), wk = 0.0026525 k( 58) = ( 0.1222222 0.5000000 0.0000000), wk = 0.0026525 k( 59) = ( 0.1333333 0.5000000 0.0000000), wk = 0.0026525 k( 60) = ( 0.1444444 0.5000000 -0.0000000), wk = 0.0026525 k( 61) = ( 0.1555556 0.5000000 0.0000000), wk = 0.0026525 k( 62) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0026525 k( 63) = ( 0.1777778 0.5000000 0.0000000), wk = 0.0026525 k( 64) = ( 0.1888889 0.5000000 -0.0000000), wk = 0.0026525 k( 65) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0026525 k( 66) = ( 0.2111111 0.5000000 0.0000000), wk = 0.0026525 k( 67) = ( 0.2222222 0.5000000 0.0000000), wk = 0.0026525 k( 68) = ( 0.2333333 0.5000000 0.0000000), wk = 0.0026525 k( 69) = ( 0.2444444 0.5000000 0.0000000), wk = 0.0026525 k( 70) = ( 0.2555556 0.5000000 0.0000000), wk = 0.0026525 k( 71) = ( 0.2666667 0.5000000 0.0000000), wk = 0.0026525 k( 72) = ( 0.2777778 0.5000000 -0.0000000), wk = 0.0026525 k( 73) = ( 0.2888889 0.5000000 -0.0000000), wk = 0.0026525 k( 74) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0026525 k( 75) = ( 0.3111111 0.5000000 -0.0000000), wk = 0.0026525 k( 76) = ( 0.3222222 0.5000000 -0.0000000), wk = 0.0026525 k( 77) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0026525 k( 78) = ( 0.3444444 0.5000000 -0.0000000), wk = 0.0026525 k( 79) = ( 0.3555556 0.5000000 -0.0000000), wk = 0.0026525 k( 80) = ( 0.3666667 0.5000000 -0.0000000), wk = 0.0026525 k( 81) = ( 0.3777778 0.5000000 -0.0000000), wk = 0.0026525 k( 82) = ( 0.3888889 0.5000000 -0.0000000), wk = 0.0026525 k( 83) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0026525 k( 84) = ( 0.4111111 0.5000000 -0.0000000), wk = 0.0026525 k( 85) = ( 0.4222222 0.5000000 0.0000000), wk = 0.0026525 k( 86) = ( 0.4333333 0.5000000 0.0000000), wk = 0.0026525 k( 87) = ( 0.4444444 0.5000000 -0.0000000), wk = 0.0026525 k( 88) = ( 0.4555556 0.5000000 -0.0000000), wk = 0.0026525 k( 89) = ( 0.4666667 0.5000000 -0.0000000), wk = 0.0026525 k( 90) = ( 0.4777778 0.5000000 -0.0000000), wk = 0.0026525 k( 91) = ( 0.4888889 0.5000000 0.0000000), wk = 0.0026525 k( 92) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0026525 k( 93) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0026525 k( 94) = ( 0.4921875 0.4921875 0.0000000), wk = 0.0026525 k( 95) = ( 0.4843750 0.4843750 0.0000000), wk = 0.0026525 k( 96) = ( 0.4765625 0.4765625 -0.0000000), wk = 0.0026525 k( 97) = ( 0.4687500 0.4687500 -0.0000000), wk = 0.0026525 k( 98) = ( 0.4609375 0.4609375 0.0000000), wk = 0.0026525 k( 99) = ( 0.4531250 0.4531250 0.0000000), wk = 0.0026525 k( 100) = ( 0.4453125 0.4453125 0.0000000), wk = 0.0026525 k( 101) = ( 0.4375000 0.4375000 0.0000000), wk = 0.0026525 k( 102) = ( 0.4296875 0.4296875 -0.0000000), wk = 0.0026525 k( 103) = ( 0.4218750 0.4218750 -0.0000000), wk = 0.0026525 k( 104) = ( 0.4140625 0.4140625 -0.0000000), wk = 0.0026525 k( 105) = ( 0.4062500 0.4062500 -0.0000000), wk = 0.0026525 k( 106) = ( 0.3984375 0.3984375 -0.0000000), wk = 0.0026525 k( 107) = ( 0.3906250 0.3906250 -0.0000000), wk = 0.0026525 k( 108) = ( 0.3828125 0.3828125 -0.0000000), wk = 0.0026525 k( 109) = ( 0.3750000 0.3750000 0.0000000), wk = 0.0026525 k( 110) = ( 0.3671875 0.3671875 0.0000000), wk = 0.0026525 k( 111) = ( 0.3593750 0.3593750 -0.0000000), wk = 0.0026525 k( 112) = ( 0.3515625 0.3515625 -0.0000000), wk = 0.0026525 k( 113) = ( 0.3437500 0.3437500 -0.0000000), wk = 0.0026525 k( 114) = ( 0.3359375 0.3359375 0.0000000), wk = 0.0026525 k( 115) = ( 0.3281250 0.3281250 0.0000000), wk = 0.0026525 k( 116) = ( 0.3203125 0.3203125 0.0000000), wk = 0.0026525 k( 117) = ( 0.3125000 0.3125000 -0.0000000), wk = 0.0026525 k( 118) = ( 0.3046875 0.3046875 -0.0000000), wk = 0.0026525 k( 119) = ( 0.2968750 0.2968750 -0.0000000), wk = 0.0026525 k( 120) = ( 0.2890625 0.2890625 -0.0000000), wk = 0.0026525 k( 121) = ( 0.2812500 0.2812500 -0.0000000), wk = 0.0026525 k( 122) = ( 0.2734375 0.2734375 -0.0000000), wk = 0.0026525 k( 123) = ( 0.2656250 0.2656250 0.0000000), wk = 0.0026525 k( 124) = ( 0.2578125 0.2578125 0.0000000), wk = 0.0026525 k( 125) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0026525 k( 126) = ( 0.2421875 0.2421875 0.0000000), wk = 0.0026525 k( 127) = ( 0.2343750 0.2343750 -0.0000000), wk = 0.0026525 k( 128) = ( 0.2265625 0.2265625 0.0000000), wk = 0.0026525 k( 129) = ( 0.2187500 0.2187500 0.0000000), wk = 0.0026525 k( 130) = ( 0.2109375 0.2109375 -0.0000000), wk = 0.0026525 k( 131) = ( 0.2031250 0.2031250 -0.0000000), wk = 0.0026525 k( 132) = ( 0.1953125 0.1953125 -0.0000000), wk = 0.0026525 k( 133) = ( 0.1875000 0.1875000 0.0000000), wk = 0.0026525 k( 134) = ( 0.1796875 0.1796875 -0.0000000), wk = 0.0026525 k( 135) = ( 0.1718750 0.1718750 -0.0000000), wk = 0.0026525 k( 136) = ( 0.1640625 0.1640625 0.0000000), wk = 0.0026525 k( 137) = ( 0.1562500 0.1562500 -0.0000000), wk = 0.0026525 k( 138) = ( 0.1484375 0.1484375 -0.0000000), wk = 0.0026525 k( 139) = ( 0.1406250 0.1406250 -0.0000000), wk = 0.0026525 k( 140) = ( 0.1328125 0.1328125 0.0000000), wk = 0.0026525 k( 141) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0026525 k( 142) = ( 0.1171875 0.1171875 -0.0000000), wk = 0.0026525 k( 143) = ( 0.1093750 0.1093750 0.0000000), wk = 0.0026525 k( 144) = ( 0.1015625 0.1015625 -0.0000000), wk = 0.0026525 k( 145) = ( 0.0937500 0.0937500 0.0000000), wk = 0.0026525 k( 146) = ( 0.0859375 0.0859375 -0.0000000), wk = 0.0026525 k( 147) = ( 0.0781250 0.0781250 -0.0000000), wk = 0.0026525 k( 148) = ( 0.0703125 0.0703125 -0.0000000), wk = 0.0026525 k( 149) = ( 0.0625000 0.0625000 0.0000000), wk = 0.0026525 k( 150) = ( 0.0546875 0.0546875 0.0000000), wk = 0.0026525 k( 151) = ( 0.0468750 0.0468750 0.0000000), wk = 0.0026525 k( 152) = ( 0.0390625 0.0390625 -0.0000000), wk = 0.0026525 k( 153) = ( 0.0312500 0.0312500 0.0000000), wk = 0.0026525 k( 154) = ( 0.0234375 0.0234375 0.0000000), wk = 0.0026525 k( 155) = ( 0.0156250 0.0156250 0.0000000), wk = 0.0026525 k( 156) = ( 0.0078125 0.0078125 0.0000000), wk = 0.0026525 k( 157) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026525 k( 158) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026525 k( 159) = ( 0.0000000 0.0000000 0.0250000), wk = 0.0026525 k( 160) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0026525 k( 161) = ( 0.0000000 0.0000000 0.0750000), wk = 0.0026525 k( 162) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0026525 k( 163) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0026525 k( 164) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0026525 k( 165) = ( 0.0000000 0.0000000 0.1750000), wk = 0.0026525 k( 166) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0026525 k( 167) = ( 0.0000000 0.0000000 0.2250000), wk = 0.0026525 k( 168) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0026525 k( 169) = ( 0.0000000 0.0000000 0.2750000), wk = 0.0026525 k( 170) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0026525 k( 171) = ( 0.0000000 0.0000000 0.3250000), wk = 0.0026525 k( 172) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0026525 k( 173) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0026525 k( 174) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0026525 k( 175) = ( 0.0000000 0.0000000 0.4250000), wk = 0.0026525 k( 176) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0026525 k( 177) = ( 0.0000000 0.0000000 0.4750000), wk = 0.0026525 k( 178) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026525 k( 179) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026525 k( 180) = ( 0.0000000 0.0111111 0.5000000), wk = 0.0026525 k( 181) = ( 0.0000000 0.0222222 0.5000000), wk = 0.0026525 k( 182) = ( 0.0000000 0.0333333 0.5000000), wk = 0.0026525 k( 183) = ( 0.0000000 0.0444444 0.5000000), wk = 0.0026525 k( 184) = ( 0.0000000 0.0555556 0.5000000), wk = 0.0026525 k( 185) = ( 0.0000000 0.0666667 0.5000000), wk = 0.0026525 k( 186) = ( 0.0000000 0.0777778 0.5000000), wk = 0.0026525 k( 187) = ( 0.0000000 0.0888889 0.5000000), wk = 0.0026525 k( 188) = ( 0.0000000 0.1000000 0.5000000), wk = 0.0026525 k( 189) = ( 0.0000000 0.1111111 0.5000000), wk = 0.0026525 k( 190) = ( 0.0000000 0.1222222 0.5000000), wk = 0.0026525 k( 191) = ( 0.0000000 0.1333333 0.5000000), wk = 0.0026525 k( 192) = ( 0.0000000 0.1444444 0.5000000), wk = 0.0026525 k( 193) = ( 0.0000000 0.1555556 0.5000000), wk = 0.0026525 k( 194) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0026525 k( 195) = ( 0.0000000 0.1777778 0.5000000), wk = 0.0026525 k( 196) = ( 0.0000000 0.1888889 0.5000000), wk = 0.0026525 k( 197) = ( 0.0000000 0.2000000 0.5000000), wk = 0.0026525 k( 198) = ( 0.0000000 0.2111111 0.5000000), wk = 0.0026525 k( 199) = ( 0.0000000 0.2222222 0.5000000), wk = 0.0026525 k( 200) = ( 0.0000000 0.2333333 0.5000000), wk = 0.0026525 k( 201) = ( 0.0000000 0.2444444 0.5000000), wk = 0.0026525 k( 202) = ( 0.0000000 0.2555556 0.5000000), wk = 0.0026525 k( 203) = ( 0.0000000 0.2666667 0.5000000), wk = 0.0026525 k( 204) = ( 0.0000000 0.2777778 0.5000000), wk = 0.0026525 k( 205) = ( 0.0000000 0.2888889 0.5000000), wk = 0.0026525 k( 206) = ( 0.0000000 0.3000000 0.5000000), wk = 0.0026525 k( 207) = ( 0.0000000 0.3111111 0.5000000), wk = 0.0026525 k( 208) = ( 0.0000000 0.3222222 0.5000000), wk = 0.0026525 k( 209) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0026525 k( 210) = ( 0.0000000 0.3444444 0.5000000), wk = 0.0026525 k( 211) = ( 0.0000000 0.3555556 0.5000000), wk = 0.0026525 k( 212) = ( 0.0000000 0.3666667 0.5000000), wk = 0.0026525 k( 213) = ( 0.0000000 0.3777778 0.5000000), wk = 0.0026525 k( 214) = ( 0.0000000 0.3888889 0.5000000), wk = 0.0026525 k( 215) = ( 0.0000000 0.4000000 0.5000000), wk = 0.0026525 k( 216) = ( 0.0000000 0.4111111 0.5000000), wk = 0.0026525 k( 217) = ( 0.0000000 0.4222222 0.5000000), wk = 0.0026525 k( 218) = ( 0.0000000 0.4333333 0.5000000), wk = 0.0026525 k( 219) = ( 0.0000000 0.4444444 0.5000000), wk = 0.0026525 k( 220) = ( 0.0000000 0.4555556 0.5000000), wk = 0.0026525 k( 221) = ( 0.0000000 0.4666667 0.5000000), wk = 0.0026525 k( 222) = ( 0.0000000 0.4777778 0.5000000), wk = 0.0026525 k( 223) = ( 0.0000000 0.4888889 0.5000000), wk = 0.0026525 k( 224) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026525 k( 225) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026525 k( 226) = ( 0.0111111 0.5000000 0.5000000), wk = 0.0026525 k( 227) = ( 0.0222222 0.5000000 0.5000000), wk = 0.0026525 k( 228) = ( 0.0333333 0.5000000 0.5000000), wk = 0.0026525 k( 229) = ( 0.0444444 0.5000000 0.5000000), wk = 0.0026525 k( 230) = ( 0.0555556 0.5000000 0.5000000), wk = 0.0026525 k( 231) = ( 0.0666667 0.5000000 0.5000000), wk = 0.0026525 k( 232) = ( 0.0777778 0.5000000 0.5000000), wk = 0.0026525 k( 233) = ( 0.0888889 0.5000000 0.5000000), wk = 0.0026525 k( 234) = ( 0.1000000 0.5000000 0.5000000), wk = 0.0026525 k( 235) = ( 0.1111111 0.5000000 0.5000000), wk = 0.0026525 k( 236) = ( 0.1222222 0.5000000 0.5000000), wk = 0.0026525 k( 237) = ( 0.1333333 0.5000000 0.5000000), wk = 0.0026525 k( 238) = ( 0.1444444 0.5000000 0.5000000), wk = 0.0026525 k( 239) = ( 0.1555556 0.5000000 0.5000000), wk = 0.0026525 k( 240) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0026525 k( 241) = ( 0.1777778 0.5000000 0.5000000), wk = 0.0026525 k( 242) = ( 0.1888889 0.5000000 0.5000000), wk = 0.0026525 k( 243) = ( 0.2000000 0.5000000 0.5000000), wk = 0.0026525 k( 244) = ( 0.2111111 0.5000000 0.5000000), wk = 0.0026525 k( 245) = ( 0.2222222 0.5000000 0.5000000), wk = 0.0026525 k( 246) = ( 0.2333333 0.5000000 0.5000000), wk = 0.0026525 k( 247) = ( 0.2444444 0.5000000 0.5000000), wk = 0.0026525 k( 248) = ( 0.2555556 0.5000000 0.5000000), wk = 0.0026525 k( 249) = ( 0.2666667 0.5000000 0.5000000), wk = 0.0026525 k( 250) = ( 0.2777778 0.5000000 0.5000000), wk = 0.0026525 k( 251) = ( 0.2888889 0.5000000 0.5000000), wk = 0.0026525 k( 252) = ( 0.3000000 0.5000000 0.5000000), wk = 0.0026525 k( 253) = ( 0.3111111 0.5000000 0.5000000), wk = 0.0026525 k( 254) = ( 0.3222222 0.5000000 0.5000000), wk = 0.0026525 k( 255) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0026525 k( 256) = ( 0.3444444 0.5000000 0.5000000), wk = 0.0026525 k( 257) = ( 0.3555556 0.5000000 0.5000000), wk = 0.0026525 k( 258) = ( 0.3666667 0.5000000 0.5000000), wk = 0.0026525 k( 259) = ( 0.3777778 0.5000000 0.5000000), wk = 0.0026525 k( 260) = ( 0.3888889 0.5000000 0.5000000), wk = 0.0026525 k( 261) = ( 0.4000000 0.5000000 0.5000000), wk = 0.0026525 k( 262) = ( 0.4111111 0.5000000 0.5000000), wk = 0.0026525 k( 263) = ( 0.4222222 0.5000000 0.5000000), wk = 0.0026525 k( 264) = ( 0.4333333 0.5000000 0.5000000), wk = 0.0026525 k( 265) = ( 0.4444444 0.5000000 0.5000000), wk = 0.0026525 k( 266) = ( 0.4555556 0.5000000 0.5000000), wk = 0.0026525 k( 267) = ( 0.4666667 0.5000000 0.5000000), wk = 0.0026525 k( 268) = ( 0.4777778 0.5000000 0.5000000), wk = 0.0026525 k( 269) = ( 0.4888889 0.5000000 0.5000000), wk = 0.0026525 k( 270) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026525 k( 271) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026525 k( 272) = ( 0.4921875 0.4921875 0.5000000), wk = 0.0026525 k( 273) = ( 0.4843750 0.4843750 0.5000000), wk = 0.0026525 k( 274) = ( 0.4765625 0.4765625 0.5000000), wk = 0.0026525 k( 275) = ( 0.4687500 0.4687500 0.5000000), wk = 0.0026525 k( 276) = ( 0.4609375 0.4609375 0.5000000), wk = 0.0026525 k( 277) = ( 0.4531250 0.4531250 0.5000000), wk = 0.0026525 k( 278) = ( 0.4453125 0.4453125 0.5000000), wk = 0.0026525 k( 279) = ( 0.4375000 0.4375000 0.5000000), wk = 0.0026525 k( 280) = ( 0.4296875 0.4296875 0.5000000), wk = 0.0026525 k( 281) = ( 0.4218750 0.4218750 0.5000000), wk = 0.0026525 k( 282) = ( 0.4140625 0.4140625 0.5000000), wk = 0.0026525 k( 283) = ( 0.4062500 0.4062500 0.5000000), wk = 0.0026525 k( 284) = ( 0.3984375 0.3984375 0.5000000), wk = 0.0026525 k( 285) = ( 0.3906250 0.3906250 0.5000000), wk = 0.0026525 k( 286) = ( 0.3828125 0.3828125 0.5000000), wk = 0.0026525 k( 287) = ( 0.3750000 0.3750000 0.5000000), wk = 0.0026525 k( 288) = ( 0.3671875 0.3671875 0.5000000), wk = 0.0026525 k( 289) = ( 0.3593750 0.3593750 0.5000000), wk = 0.0026525 k( 290) = ( 0.3515625 0.3515625 0.5000000), wk = 0.0026525 k( 291) = ( 0.3437500 0.3437500 0.5000000), wk = 0.0026525 k( 292) = ( 0.3359375 0.3359375 0.5000000), wk = 0.0026525 k( 293) = ( 0.3281250 0.3281250 0.5000000), wk = 0.0026525 k( 294) = ( 0.3203125 0.3203125 0.5000000), wk = 0.0026525 k( 295) = ( 0.3125000 0.3125000 0.5000000), wk = 0.0026525 k( 296) = ( 0.3046875 0.3046875 0.5000000), wk = 0.0026525 k( 297) = ( 0.2968750 0.2968750 0.5000000), wk = 0.0026525 k( 298) = ( 0.2890625 0.2890625 0.5000000), wk = 0.0026525 k( 299) = ( 0.2812500 0.2812500 0.5000000), wk = 0.0026525 k( 300) = ( 0.2734375 0.2734375 0.5000000), wk = 0.0026525 k( 301) = ( 0.2656250 0.2656250 0.5000000), wk = 0.0026525 k( 302) = ( 0.2578125 0.2578125 0.5000000), wk = 0.0026525 k( 303) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0026525 k( 304) = ( 0.2421875 0.2421875 0.5000000), wk = 0.0026525 k( 305) = ( 0.2343750 0.2343750 0.5000000), wk = 0.0026525 k( 306) = ( 0.2265625 0.2265625 0.5000000), wk = 0.0026525 k( 307) = ( 0.2187500 0.2187500 0.5000000), wk = 0.0026525 k( 308) = ( 0.2109375 0.2109375 0.5000000), wk = 0.0026525 k( 309) = ( 0.2031250 0.2031250 0.5000000), wk = 0.0026525 k( 310) = ( 0.1953125 0.1953125 0.5000000), wk = 0.0026525 k( 311) = ( 0.1875000 0.1875000 0.5000000), wk = 0.0026525 k( 312) = ( 0.1796875 0.1796875 0.5000000), wk = 0.0026525 k( 313) = ( 0.1718750 0.1718750 0.5000000), wk = 0.0026525 k( 314) = ( 0.1640625 0.1640625 0.5000000), wk = 0.0026525 k( 315) = ( 0.1562500 0.1562500 0.5000000), wk = 0.0026525 k( 316) = ( 0.1484375 0.1484375 0.5000000), wk = 0.0026525 k( 317) = ( 0.1406250 0.1406250 0.5000000), wk = 0.0026525 k( 318) = ( 0.1328125 0.1328125 0.5000000), wk = 0.0026525 k( 319) = ( 0.1250000 0.1250000 0.5000000), wk = 0.0026525 k( 320) = ( 0.1171875 0.1171875 0.5000000), wk = 0.0026525 k( 321) = ( 0.1093750 0.1093750 0.5000000), wk = 0.0026525 k( 322) = ( 0.1015625 0.1015625 0.5000000), wk = 0.0026525 k( 323) = ( 0.0937500 0.0937500 0.5000000), wk = 0.0026525 k( 324) = ( 0.0859375 0.0859375 0.5000000), wk = 0.0026525 k( 325) = ( 0.0781250 0.0781250 0.5000000), wk = 0.0026525 k( 326) = ( 0.0703125 0.0703125 0.5000000), wk = 0.0026525 k( 327) = ( 0.0625000 0.0625000 0.5000000), wk = 0.0026525 k( 328) = ( 0.0546875 0.0546875 0.5000000), wk = 0.0026525 k( 329) = ( 0.0468750 0.0468750 0.5000000), wk = 0.0026525 k( 330) = ( 0.0390625 0.0390625 0.5000000), wk = 0.0026525 k( 331) = ( 0.0312500 0.0312500 0.5000000), wk = 0.0026525 k( 332) = ( 0.0234375 0.0234375 0.5000000), wk = 0.0026525 k( 333) = ( 0.0156250 0.0156250 0.5000000), wk = 0.0026525 k( 334) = ( 0.0078125 0.0078125 0.5000000), wk = 0.0026525 k( 335) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026525 k( 336) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026525 k( 337) = ( 0.0000000 0.5000000 0.0250000), wk = 0.0026525 k( 338) = ( 0.0000000 0.5000000 0.0500000), wk = 0.0026525 k( 339) = ( 0.0000000 0.5000000 0.0750000), wk = 0.0026525 k( 340) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0026525 k( 341) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0026525 k( 342) = ( 0.0000000 0.5000000 0.1500000), wk = 0.0026525 k( 343) = ( 0.0000000 0.5000000 0.1750000), wk = 0.0026525 k( 344) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0026525 k( 345) = ( 0.0000000 0.5000000 0.2250000), wk = 0.0026525 k( 346) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0026525 k( 347) = ( 0.0000000 0.5000000 0.2750000), wk = 0.0026525 k( 348) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0026525 k( 349) = ( 0.0000000 0.5000000 0.3250000), wk = 0.0026525 k( 350) = ( 0.0000000 0.5000000 0.3500000), wk = 0.0026525 k( 351) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0026525 k( 352) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0026525 k( 353) = ( 0.0000000 0.5000000 0.4250000), wk = 0.0026525 k( 354) = ( 0.0000000 0.5000000 0.4500000), wk = 0.0026525 k( 355) = ( 0.0000000 0.5000000 0.4750000), wk = 0.0026525 k( 356) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026525 k( 357) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0026525 k( 358) = ( 0.5000000 0.5000000 0.0250000), wk = 0.0026525 k( 359) = ( 0.5000000 0.5000000 0.0500000), wk = 0.0026525 k( 360) = ( 0.5000000 0.5000000 0.0750000), wk = 0.0026525 k( 361) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0026525 k( 362) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0026525 k( 363) = ( 0.5000000 0.5000000 0.1500000), wk = 0.0026525 k( 364) = ( 0.5000000 0.5000000 0.1750000), wk = 0.0026525 k( 365) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0026525 k( 366) = ( 0.5000000 0.5000000 0.2250000), wk = 0.0026525 k( 367) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0026525 k( 368) = ( 0.5000000 0.5000000 0.2750000), wk = 0.0026525 k( 369) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0026525 k( 370) = ( 0.5000000 0.5000000 0.3250000), wk = 0.0026525 k( 371) = ( 0.5000000 0.5000000 0.3500000), wk = 0.0026525 k( 372) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0026525 k( 373) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0026525 k( 374) = ( 0.5000000 0.5000000 0.4250000), wk = 0.0026525 k( 375) = ( 0.5000000 0.5000000 0.4500000), wk = 0.0026525 k( 376) = ( 0.5000000 0.5000000 0.4750000), wk = 0.0026525 k( 377) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026525 Dense grid: 47953 G-vectors FFT dimensions: ( 36, 36, 80) Smooth grid: 29185 G-vectors FFT dimensions: ( 30, 30, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.17 Mb ( 212, 52) NL pseudopotentials 0.27 Mb ( 106, 164) Each V/rho on FFT grid 0.06 Mb ( 3888) Each G-vector array 0.01 Mb ( 1332) G-vector shells 0.00 Mb ( 610) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.67 Mb ( 212, 208) Each subspace H/S matrix 0.04 Mb ( 52, 52) Each matrix 0.26 Mb ( 164, 2, 52) The potential is recalculated from file : ./NbSiAs.save/charge-density.dat Starting wfc are 84 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 3.6 secs Computing kpt #: 5 total cpu time spent up to now is 3.9 secs Computing kpt #: 6 total cpu time spent up to now is 4.3 secs Computing kpt #: 7 total cpu time spent up to now is 4.7 secs Computing kpt #: 8 total cpu time spent up to now is 5.1 secs Computing kpt #: 9 total cpu time spent up to now is 5.5 secs Computing kpt #: 10 total cpu time spent up to now is 5.9 secs Computing kpt #: 11 total cpu time spent up to now is 6.3 secs Computing kpt #: 12 total cpu time spent up to now is 6.6 secs Computing kpt #: 13 total cpu time spent up to now is 7.0 secs Computing kpt #: 14 total cpu time spent up to now is 7.3 secs Computing kpt #: 15 total cpu time spent up to now is 7.7 secs Computing kpt #: 16 total cpu time spent up to now is 8.1 secs Computing kpt #: 17 total cpu time spent up to now is 8.4 secs Computing kpt #: 18 total cpu time spent up to now is 8.8 secs Computing kpt #: 19 total cpu time spent up to now is 9.1 secs Computing kpt #: 20 total cpu time spent up to now is 9.5 secs Computing kpt #: 21 total cpu time spent up to now is 9.8 secs Computing kpt #: 22 total cpu time spent up to now is 10.2 secs Computing kpt #: 23 total cpu time spent up to now is 10.6 secs Computing kpt #: 24 total cpu time spent up to now is 10.9 secs Computing kpt #: 25 total cpu time spent up to now is 11.3 secs Computing kpt #: 26 total cpu time spent up to now is 11.6 secs Computing kpt #: 27 total cpu time spent up to now is 12.0 secs Computing kpt #: 28 total cpu time spent up to now is 12.3 secs Computing kpt #: 29 total cpu time spent up to now is 12.7 secs Computing kpt #: 30 total cpu time spent up to now is 13.0 secs Computing kpt #: 31 total cpu time spent up to now is 13.4 secs Computing kpt #: 32 total cpu time spent up to now is 13.7 secs Computing kpt #: 33 total cpu time spent up to now is 14.1 secs Computing kpt #: 34 total cpu time spent up to now is 14.4 secs Computing kpt #: 35 total cpu time spent up to now is 14.8 secs Computing kpt #: 36 total cpu time spent up to now is 15.2 secs Computing kpt #: 37 total cpu time spent up to now is 15.5 secs Computing kpt #: 38 total cpu time spent up to now is 15.9 secs Computing kpt #: 39 total cpu time spent up to now is 16.3 secs Computing kpt #: 40 total cpu time spent up to now is 16.8 secs Computing kpt #: 41 total cpu time spent up to now is 17.2 secs Computing kpt #: 42 total cpu time spent up to now is 17.6 secs Computing kpt #: 43 total cpu time spent up to now is 18.0 secs Computing kpt #: 44 total cpu time spent up to now is 18.4 secs Computing kpt #: 45 total cpu time spent up to now is 18.8 secs Computing kpt #: 46 total cpu time spent up to now is 19.2 secs Computing kpt #: 47 total cpu time spent up to now is 19.6 secs Computing kpt #: 48 total cpu time spent up to now is 20.0 secs Computing kpt #: 49 total cpu time spent up to now is 20.4 secs Computing kpt #: 50 total cpu time spent up to now is 20.8 secs Computing kpt #: 51 total cpu time spent up to now is 21.2 secs Computing kpt #: 52 total cpu time spent up to now is 21.6 secs Computing kpt #: 53 total cpu time spent up to now is 22.0 secs Computing kpt #: 54 total cpu time spent up to now is 22.4 secs Computing kpt #: 55 total cpu time spent up to now is 22.8 secs Computing kpt #: 56 total cpu time spent up to now is 23.2 secs Computing kpt #: 57 total cpu time spent up to now is 23.7 secs Computing kpt #: 58 total cpu time spent up to now is 24.1 secs Computing kpt #: 59 total cpu time spent up to now is 24.5 secs Computing kpt #: 60 total cpu time spent up to now is 24.9 secs Computing kpt #: 61 total cpu time spent up to now is 25.4 secs Computing kpt #: 62 total cpu time spent up to now is 25.8 secs Computing kpt #: 63 total cpu time spent up to now is 26.2 secs Computing kpt #: 64 total cpu time spent up to now is 26.7 secs Computing kpt #: 65 total cpu time spent up to now is 27.1 secs Computing kpt #: 66 total cpu time spent up to now is 27.5 secs Computing kpt #: 67 total cpu time spent up to now is 27.9 secs Computing kpt #: 68 total cpu time spent up to now is 28.3 secs Computing kpt #: 69 total cpu time spent up to now is 28.8 secs Computing kpt #: 70 total cpu time spent up to now is 29.2 secs Computing kpt #: 71 total cpu time spent up to now is 29.6 secs Computing kpt #: 72 total cpu time spent up to now is 30.1 secs Computing kpt #: 73 total cpu time spent up to now is 30.5 secs Computing kpt #: 74 total cpu time spent up to now is 30.9 secs Computing kpt #: 75 total cpu time spent up to now is 31.3 secs Computing kpt #: 76 total cpu time spent up to now is 31.7 secs Computing kpt #: 77 total cpu time spent up to now is 32.2 secs Computing kpt #: 78 total cpu time spent up to now is 32.6 secs Computing kpt #: 79 total cpu time spent up to now is 33.0 secs Computing kpt #: 80 total cpu time spent up to now is 33.4 secs Computing kpt #: 81 total cpu time spent up to now is 33.8 secs Computing kpt #: 82 total cpu time spent up to now is 34.2 secs Computing kpt #: 83 total cpu time spent up to now is 34.6 secs Computing kpt #: 84 total cpu time spent up to now is 35.0 secs Computing kpt #: 85 total cpu time spent up to now is 35.4 secs Computing kpt #: 86 total cpu time spent up to now is 35.8 secs Computing kpt #: 87 total cpu time spent up to now is 36.2 secs Computing kpt #: 88 total cpu time spent up to now is 36.5 secs Computing kpt #: 89 total cpu time spent up to now is 36.9 secs Computing kpt #: 90 total cpu time spent up to now is 37.3 secs Computing kpt #: 91 total cpu time spent up to now is 37.7 secs Computing kpt #: 92 total cpu time spent up to now is 38.0 secs Computing kpt #: 93 total cpu time spent up to now is 38.4 secs Computing kpt #: 94 total cpu time spent up to now is 38.8 secs Computing kpt #: 95 total cpu time spent up to now is 39.2 secs Computing kpt #: 96 total cpu time spent up to now is 39.6 secs Computing kpt #: 97 total cpu time spent up to now is 40.0 secs Computing kpt #: 98 total cpu time spent up to now is 40.4 secs Computing kpt #: 99 total cpu time spent up to now is 40.8 secs Computing kpt #: 100 total cpu time spent up to now is 41.2 secs Computing kpt #: 101 total cpu time spent up to now is 41.5 secs Computing kpt #: 102 total cpu time spent up to now is 41.9 secs Computing kpt #: 103 total cpu time spent up to now is 42.3 secs Computing kpt #: 104 total cpu time spent up to now is 42.7 secs Computing kpt #: 105 total cpu time spent up to now is 43.1 secs Computing kpt #: 106 total cpu time spent up to now is 43.6 secs Computing kpt #: 107 total cpu time spent up to now is 44.0 secs Computing kpt #: 108 total cpu time spent up to now is 44.4 secs Computing kpt #: 109 total cpu time spent up to now is 44.9 secs Computing kpt #: 110 total cpu time spent up to now is 45.3 secs Computing kpt #: 111 total cpu time spent up to now is 45.8 secs Computing kpt #: 112 total cpu time spent up to now is 46.3 secs Computing kpt #: 113 total cpu time spent up to now is 46.7 secs Computing kpt #: 114 total cpu time spent up to now is 47.2 secs Computing kpt #: 115 total cpu time spent up to now is 47.7 secs Computing kpt #: 116 total cpu time spent up to now is 48.2 secs Computing kpt #: 117 total cpu time spent up to now is 48.7 secs Computing kpt #: 118 total cpu time spent up to now is 49.2 secs Computing kpt #: 119 total cpu time spent up to now is 49.6 secs Computing kpt #: 120 total cpu time spent up to now is 50.1 secs Computing kpt #: 121 total cpu time spent up to now is 50.6 secs Computing kpt #: 122 total cpu time spent up to now is 51.0 secs Computing kpt #: 123 total cpu time spent up to now is 51.4 secs Computing kpt #: 124 total cpu time spent up to now is 51.8 secs Computing kpt #: 125 total cpu time spent up to now is 52.2 secs Computing kpt #: 126 total cpu time spent up to now is 52.6 secs Computing kpt #: 127 total cpu time spent up to now is 53.0 secs Computing kpt #: 128 total cpu time spent up to now is 53.4 secs Computing kpt #: 129 total cpu time spent up to now is 53.8 secs Computing kpt #: 130 total cpu time spent up to now is 54.2 secs Computing kpt #: 131 total cpu time spent up to now is 54.5 secs Computing kpt #: 132 total cpu time spent up to now is 54.9 secs Computing kpt #: 133 total cpu time spent up to now is 55.3 secs Computing kpt #: 134 total cpu time spent up to now is 55.7 secs Computing kpt #: 135 total cpu time spent up to now is 56.1 secs Computing kpt #: 136 total cpu time spent up to now is 56.5 secs Computing kpt #: 137 total cpu time spent up to now is 56.9 secs Computing kpt #: 138 total cpu time spent up to now is 57.3 secs Computing kpt #: 139 total cpu time spent up to now is 57.7 secs Computing kpt #: 140 total cpu time spent up to now is 58.1 secs Computing kpt #: 141 total cpu time spent up to now is 58.5 secs Computing kpt #: 142 total cpu time spent up to now is 58.9 secs Computing kpt #: 143 total cpu time spent up to now is 59.4 secs Computing kpt #: 144 total cpu time spent up to now is 59.9 secs Computing kpt #: 145 total cpu time spent up to now is 60.3 secs Computing kpt #: 146 total cpu time spent up to now is 60.7 secs Computing kpt #: 147 total cpu time spent up to now is 61.1 secs Computing kpt #: 148 total cpu time spent up to now is 61.4 secs Computing kpt #: 149 total cpu time spent up to now is 61.8 secs Computing kpt #: 150 total cpu time spent up to now is 62.1 secs Computing kpt #: 151 total cpu time spent up to now is 62.5 secs Computing kpt #: 152 total cpu time spent up to now is 62.8 secs Computing kpt #: 153 total cpu time spent up to now is 63.2 secs Computing kpt #: 154 total cpu time spent up to now is 63.5 secs Computing kpt #: 155 total cpu time spent up to now is 63.8 secs Computing kpt #: 156 total cpu time spent up to now is 64.2 secs Computing kpt #: 157 total cpu time spent up to now is 64.5 secs Computing kpt #: 158 total cpu time spent up to now is 64.8 secs Computing kpt #: 159 total cpu time spent up to now is 65.1 secs Computing kpt #: 160 total cpu time spent up to now is 65.5 secs Computing kpt #: 161 total cpu time spent up to now is 65.8 secs Computing kpt #: 162 total cpu time spent up to now is 66.1 secs Computing kpt #: 163 total cpu time spent up to now is 66.5 secs Computing kpt #: 164 total cpu time spent up to now is 66.8 secs Computing kpt #: 165 total cpu time spent up to now is 67.2 secs Computing kpt #: 166 total cpu time spent up to now is 67.5 secs Computing kpt #: 167 total cpu time spent up to now is 67.9 secs Computing kpt #: 168 total cpu time spent up to now is 68.3 secs Computing kpt #: 169 total cpu time spent up to now is 68.7 secs Computing kpt #: 170 total cpu time spent up to now is 69.0 secs Computing kpt #: 171 total cpu time spent up to now is 69.5 secs Computing kpt #: 172 total cpu time spent up to now is 69.9 secs Computing kpt #: 173 total cpu time spent up to now is 70.3 secs Computing kpt #: 174 total cpu time spent up to now is 70.7 secs Computing kpt #: 175 total cpu time spent up to now is 71.1 secs Computing kpt #: 176 total cpu time spent up to now is 71.5 secs Computing kpt #: 177 total cpu time spent up to now is 71.9 secs Computing kpt #: 178 total cpu time spent up to now is 72.3 secs Computing kpt #: 179 total cpu time spent up to now is 72.6 secs Computing kpt #: 180 total cpu time spent up to now is 73.0 secs Computing kpt #: 181 total cpu time spent up to now is 73.4 secs Computing kpt #: 182 total cpu time spent up to now is 73.8 secs Computing kpt #: 183 total cpu time spent up to now is 74.2 secs Computing kpt #: 184 total cpu time spent up to now is 74.6 secs Computing kpt #: 185 total cpu time spent up to now is 75.0 secs Computing kpt #: 186 total cpu time spent up to now is 75.4 secs Computing kpt #: 187 total cpu time spent up to now is 75.7 secs Computing kpt #: 188 total cpu time spent up to now is 76.1 secs Computing kpt #: 189 total cpu time spent up to now is 76.5 secs Computing kpt #: 190 total cpu time spent up to now is 76.9 secs Computing kpt #: 191 total cpu time spent up to now is 77.3 secs Computing kpt #: 192 total cpu time spent up to now is 77.7 secs Computing kpt #: 193 total cpu time spent up to now is 78.1 secs Computing kpt #: 194 total cpu time spent up to now is 78.6 secs Computing kpt #: 195 total cpu time spent up to now is 79.0 secs Computing kpt #: 196 total cpu time spent up to now is 79.4 secs Computing kpt #: 197 total cpu time spent up to now is 79.9 secs Computing kpt #: 198 total cpu time spent up to now is 80.3 secs Computing kpt #: 199 total cpu time spent up to now is 80.8 secs Computing kpt #: 200 total cpu time spent up to now is 81.3 secs Computing kpt #: 201 total cpu time spent up to now is 81.7 secs Computing kpt #: 202 total cpu time spent up to now is 82.2 secs Computing kpt #: 203 total cpu time spent up to now is 82.6 secs Computing kpt #: 204 total cpu time spent up to now is 83.1 secs Computing kpt #: 205 total cpu time spent up to now is 83.6 secs Computing kpt #: 206 total cpu time spent up to now is 84.0 secs Computing kpt #: 207 total cpu time spent up to now is 84.4 secs Computing kpt #: 208 total cpu time spent up to now is 84.8 secs Computing kpt #: 209 total cpu time spent up to now is 85.2 secs Computing kpt #: 210 total cpu time spent up to now is 85.6 secs Computing kpt #: 211 total cpu time spent up to now is 86.0 secs Computing kpt #: 212 total cpu time spent up to now is 86.4 secs Computing kpt #: 213 total cpu time spent up to now is 86.8 secs Computing kpt #: 214 total cpu time spent up to now is 87.2 secs Computing kpt #: 215 total cpu time spent up to now is 87.6 secs Computing kpt #: 216 total cpu time spent up to now is 88.0 secs Computing kpt #: 217 total cpu time spent up to now is 88.4 secs Computing kpt #: 218 total cpu time spent up to now is 88.9 secs Computing kpt #: 219 total cpu time spent up to now is 89.3 secs Computing kpt #: 220 total cpu time spent up to now is 89.7 secs Computing kpt #: 221 total cpu time spent up to now is 90.2 secs Computing kpt #: 222 total cpu time spent up to now is 90.6 secs Computing kpt #: 223 total cpu time spent up to now is 91.0 secs Computing kpt #: 224 total cpu time spent up to now is 91.3 secs Computing kpt #: 225 total cpu time spent up to now is 91.7 secs Computing kpt #: 226 total cpu time spent up to now is 92.1 secs Computing kpt #: 227 total cpu time spent up to now is 92.5 secs Computing kpt #: 228 total cpu time spent up to now is 92.9 secs Computing kpt #: 229 total cpu time spent up to now is 93.3 secs Computing kpt #: 230 total cpu time spent up to now is 93.8 secs Computing kpt #: 231 total cpu time spent up to now is 94.2 secs Computing kpt #: 232 total cpu time spent up to now is 94.6 secs Computing kpt #: 233 total cpu time spent up to now is 95.0 secs Computing kpt #: 234 total cpu time spent up to now is 95.4 secs Computing kpt #: 235 total cpu time spent up to now is 95.8 secs Computing kpt #: 236 total cpu time spent up to now is 96.3 secs Computing kpt #: 237 total cpu time spent up to now is 96.7 secs Computing kpt #: 238 total cpu time spent up to now is 97.1 secs Computing kpt #: 239 total cpu time spent up to now is 97.5 secs Computing kpt #: 240 total cpu time spent up to now is 97.9 secs Computing kpt #: 241 total cpu time spent up to now is 98.2 secs Computing kpt #: 242 total cpu time spent up to now is 98.6 secs Computing kpt #: 243 total cpu time spent up to now is 99.0 secs Computing kpt #: 244 total cpu time spent up to now is 99.4 secs Computing kpt #: 245 total cpu time spent up to now is 99.8 secs Computing kpt #: 246 total cpu time spent up to now is 100.2 secs Computing kpt #: 247 total cpu time spent up to now is 100.6 secs Computing kpt #: 248 total cpu time spent up to now is 101.0 secs Computing kpt #: 249 total cpu time spent up to now is 101.4 secs Computing kpt #: 250 total cpu time spent up to now is 101.8 secs Computing kpt #: 251 total cpu time spent up to now is 102.2 secs Computing kpt #: 252 total cpu time spent up to now is 102.6 secs Computing kpt #: 253 total cpu time spent up to now is 103.0 secs Computing kpt #: 254 total cpu time spent up to now is 103.4 secs Computing kpt #: 255 total cpu time spent up to now is 103.8 secs Computing kpt #: 256 total cpu time spent up to now is 104.2 secs Computing kpt #: 257 total cpu time spent up to now is 104.6 secs Computing kpt #: 258 total cpu time spent up to now is 105.0 secs Computing kpt #: 259 total cpu time spent up to now is 105.4 secs Computing kpt #: 260 total cpu time spent up to now is 105.8 secs Computing kpt #: 261 total cpu time spent up to now is 106.2 secs Computing kpt #: 262 total cpu time spent up to now is 106.6 secs Computing kpt #: 263 total cpu time spent up to now is 107.0 secs Computing kpt #: 264 total cpu time spent up to now is 107.3 secs Computing kpt #: 265 total cpu time spent up to now is 107.7 secs Computing kpt #: 266 total cpu time spent up to now is 108.1 secs Computing kpt #: 267 total cpu time spent up to now is 108.4 secs Computing kpt #: 268 total cpu time spent up to now is 108.8 secs Computing kpt #: 269 total cpu time spent up to now is 109.1 secs Computing kpt #: 270 total cpu time spent up to now is 109.5 secs Computing kpt #: 271 total cpu time spent up to now is 109.8 secs Computing kpt #: 272 total cpu time spent up to now is 110.2 secs Computing kpt #: 273 total cpu time spent up to now is 110.5 secs Computing kpt #: 274 total cpu time spent up to now is 110.9 secs Computing kpt #: 275 total cpu time spent up to now is 111.2 secs Computing kpt #: 276 total cpu time spent up to now is 111.6 secs Computing kpt #: 277 total cpu time spent up to now is 112.0 secs Computing kpt #: 278 total cpu time spent up to now is 112.3 secs Computing kpt #: 279 total cpu time spent up to now is 112.7 secs Computing kpt #: 280 total cpu time spent up to now is 113.1 secs Computing kpt #: 281 total cpu time spent up to now is 113.4 secs Computing kpt #: 282 total cpu time spent up to now is 113.8 secs Computing kpt #: 283 total cpu time spent up to now is 114.2 secs Computing kpt #: 284 total cpu time spent up to now is 114.5 secs Computing kpt #: 285 total cpu time spent up to now is 114.9 secs Computing kpt #: 286 total cpu time spent up to now is 115.3 secs Computing kpt #: 287 total cpu time spent up to now is 115.6 secs Computing kpt #: 288 total cpu time spent up to now is 116.0 secs Computing kpt #: 289 total cpu time spent up to now is 116.4 secs Computing kpt #: 290 total cpu time spent up to now is 116.7 secs Computing kpt #: 291 total cpu time spent up to now is 117.1 secs Computing kpt #: 292 total cpu time spent up to now is 117.5 secs Computing kpt #: 293 total cpu time spent up to now is 117.8 secs Computing kpt #: 294 total cpu time spent up to now is 118.2 secs Computing kpt #: 295 total cpu time spent up to now is 118.6 secs Computing kpt #: 296 total cpu time spent up to now is 119.0 secs Computing kpt #: 297 total cpu time spent up to now is 119.3 secs Computing kpt #: 298 total cpu time spent up to now is 119.7 secs Computing kpt #: 299 total cpu time spent up to now is 120.1 secs Computing kpt #: 300 total cpu time spent up to now is 120.4 secs Computing kpt #: 301 total cpu time spent up to now is 120.8 secs Computing kpt #: 302 total cpu time spent up to now is 121.2 secs Computing kpt #: 303 total cpu time spent up to now is 121.5 secs Computing kpt #: 304 total cpu time spent up to now is 121.9 secs Computing kpt #: 305 total cpu time spent up to now is 122.3 secs Computing kpt #: 306 total cpu time spent up to now is 122.7 secs Computing kpt #: 307 total cpu time spent up to now is 123.1 secs Computing kpt #: 308 total cpu time spent up to now is 123.5 secs Computing kpt #: 309 total cpu time spent up to now is 123.8 secs Computing kpt #: 310 total cpu time spent up to now is 124.2 secs Computing kpt #: 311 total cpu time spent up to now is 124.6 secs Computing kpt #: 312 total cpu time spent up to now is 125.0 secs Computing kpt #: 313 total cpu time spent up to now is 125.4 secs Computing kpt #: 314 total cpu time spent up to now is 125.8 secs Computing kpt #: 315 total cpu time spent up to now is 126.2 secs Computing kpt #: 316 total cpu time spent up to now is 126.6 secs Computing kpt #: 317 total cpu time spent up to now is 127.0 secs Computing kpt #: 318 total cpu time spent up to now is 127.4 secs Computing kpt #: 319 total cpu time spent up to now is 127.8 secs Computing kpt #: 320 total cpu time spent up to now is 128.2 secs Computing kpt #: 321 total cpu time spent up to now is 128.6 secs Computing kpt #: 322 total cpu time spent up to now is 129.0 secs Computing kpt #: 323 total cpu time spent up to now is 129.4 secs Computing kpt #: 324 total cpu time spent up to now is 129.9 secs Computing kpt #: 325 total cpu time spent up to now is 130.3 secs Computing kpt #: 326 total cpu time spent up to now is 130.6 secs Computing kpt #: 327 total cpu time spent up to now is 131.0 secs Computing kpt #: 328 total cpu time spent up to now is 131.4 secs Computing kpt #: 329 total cpu time spent up to now is 131.8 secs Computing kpt #: 330 total cpu time spent up to now is 132.2 secs Computing kpt #: 331 total cpu time spent up to now is 132.7 secs Computing kpt #: 332 total cpu time spent up to now is 133.1 secs Computing kpt #: 333 total cpu time spent up to now is 133.4 secs Computing kpt #: 334 total cpu time spent up to now is 133.8 secs Computing kpt #: 335 total cpu time spent up to now is 134.2 secs Computing kpt #: 336 total cpu time spent up to now is 134.6 secs Computing kpt #: 337 total cpu time spent up to now is 135.0 secs Computing kpt #: 338 total cpu time spent up to now is 135.4 secs Computing kpt #: 339 total cpu time spent up to now is 135.8 secs Computing kpt #: 340 total cpu time spent up to now is 136.2 secs Computing kpt #: 341 total cpu time spent up to now is 136.6 secs Computing kpt #: 342 total cpu time spent up to now is 137.0 secs Computing kpt #: 343 total cpu time spent up to now is 137.5 secs Computing kpt #: 344 total cpu time spent up to now is 137.9 secs Computing kpt #: 345 total cpu time spent up to now is 138.3 secs Computing kpt #: 346 total cpu time spent up to now is 138.8 secs Computing kpt #: 347 total cpu time spent up to now is 139.2 secs Computing kpt #: 348 total cpu time spent up to now is 139.6 secs Computing kpt #: 349 total cpu time spent up to now is 140.0 secs Computing kpt #: 350 total cpu time spent up to now is 141.4 secs Computing kpt #: 351 total cpu time spent up to now is 141.8 secs Computing kpt #: 352 total cpu time spent up to now is 142.2 secs Computing kpt #: 353 total cpu time spent up to now is 142.6 secs Computing kpt #: 354 total cpu time spent up to now is 143.0 secs Computing kpt #: 355 total cpu time spent up to now is 143.4 secs Computing kpt #: 356 total cpu time spent up to now is 143.8 secs Computing kpt #: 357 total cpu time spent up to now is 144.2 secs Computing kpt #: 358 total cpu time spent up to now is 144.6 secs Computing kpt #: 359 total cpu time spent up to now is 144.9 secs Computing kpt #: 360 total cpu time spent up to now is 145.3 secs Computing kpt #: 361 total cpu time spent up to now is 145.7 secs Computing kpt #: 362 total cpu time spent up to now is 146.1 secs Computing kpt #: 363 total cpu time spent up to now is 146.4 secs Computing kpt #: 364 total cpu time spent up to now is 146.8 secs Computing kpt #: 365 total cpu time spent up to now is 147.2 secs Computing kpt #: 366 total cpu time spent up to now is 147.5 secs Computing kpt #: 367 total cpu time spent up to now is 147.9 secs Computing kpt #: 368 total cpu time spent up to now is 148.2 secs Computing kpt #: 369 total cpu time spent up to now is 148.6 secs Computing kpt #: 370 total cpu time spent up to now is 148.9 secs Computing kpt #: 371 total cpu time spent up to now is 149.3 secs Computing kpt #: 372 total cpu time spent up to now is 149.6 secs Computing kpt #: 373 total cpu time spent up to now is 150.0 secs Computing kpt #: 374 total cpu time spent up to now is 151.2 secs Computing kpt #: 375 total cpu time spent up to now is 151.5 secs Computing kpt #: 376 total cpu time spent up to now is 151.9 secs Computing kpt #: 377 total cpu time spent up to now is 152.2 secs ethr = 2.27E-08, avg # of iterations = 17.2 total cpu time spent up to now is 152.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3633 PWs) bands (ev): -41.2013 -41.2013 -41.2003 -41.2003 -18.7728 -18.7728 -18.7618 -18.7618 -16.7073 -16.7073 -16.6793 -16.6793 -16.6503 -16.6503 -16.6466 -16.6466 0.0507 0.0507 1.9162 1.9162 2.9160 2.9160 8.7393 8.7393 9.3493 9.3493 10.1989 10.1989 10.3607 10.3607 10.3924 10.3924 11.1202 11.1202 11.7294 11.7294 11.9132 11.9132 12.9017 12.9017 13.2443 13.2443 13.3541 13.3541 14.6141 14.6141 14.6301 14.6301 14.8222 14.8222 15.1354 15.1354 k = 0.0000 0.0111-0.0000 ( 3629 PWs) bands (ev): -41.2012 -41.2012 -41.2004 -41.2004 -18.7729 -18.7729 -18.7619 -18.7619 -16.7073 -16.7073 -16.6793 -16.6793 -16.6504 -16.6504 -16.6467 -16.6467 0.0522 0.0522 1.9173 1.9173 2.9170 2.9170 8.7408 8.7408 9.3446 9.3446 10.1778 10.1778 10.3664 10.3664 10.3993 10.3993 11.1201 11.1201 11.7296 11.7296 11.9128 11.9128 12.9087 12.9087 13.2423 13.2423 13.3520 13.3520 14.6048 14.6048 14.6287 14.6287 14.8235 14.8235 15.1414 15.1414 k = 0.0000 0.0222-0.0000 ( 3643 PWs) bands (ev): -41.2013 -41.2013 -41.2004 -41.2004 -18.7730 -18.7730 -18.7620 -18.7620 -16.7073 -16.7073 -16.6794 -16.6794 -16.6508 -16.6508 -16.6470 -16.6470 0.0567 0.0567 1.9206 1.9206 2.9200 2.9200 8.7452 8.7452 9.3305 9.3305 10.1245 10.1245 10.3749 10.3749 10.4188 10.4188 11.1196 11.1196 11.7300 11.7300 11.9115 11.9115 12.9293 12.9293 13.2363 13.2363 13.3459 13.3459 14.5755 14.5755 14.6268 14.6268 14.8273 14.8273 15.1595 15.1595 k = 0.0000 0.0333-0.0000 ( 3649 PWs) bands (ev): -41.2012 -41.2012 -41.2005 -41.2005 -18.7732 -18.7732 -18.7623 -18.7623 -16.7074 -16.7074 -16.6795 -16.6795 -16.6513 -16.6513 -16.6475 -16.6475 0.0641 0.0641 1.9262 1.9262 2.9250 2.9250 8.7524 8.7524 9.3073 9.3073 10.0512 10.0512 10.3830 10.3830 10.4431 10.4431 11.1188 11.1188 11.7305 11.7305 11.9098 11.9098 12.9619 12.9619 13.2263 13.2263 13.3360 13.3360 14.5295 14.5295 14.6250 14.6250 14.8335 14.8335 15.1893 15.1893 k = 0.0000 0.0444-0.0000 ( 3645 PWs) bands (ev): -41.2010 -41.2010 -41.2004 -41.2004 -18.7735 -18.7735 -18.7626 -18.7626 -16.7074 -16.7074 -16.6797 -16.6797 -16.6520 -16.6520 -16.6482 -16.6482 0.0746 0.0746 1.9340 1.9340 2.9319 2.9319 8.7625 8.7625 9.2750 9.2750 9.9632 9.9632 10.3923 10.3923 10.4669 10.4669 11.1175 11.1175 11.7309 11.7309 11.9084 11.9084 13.0042 13.0042 13.2124 13.2124 13.3225 13.3225 14.4717 14.4717 14.6225 14.6225 14.8422 14.8422 15.2307 15.2307 k = 0.0000 0.0556-0.0000 ( 3645 PWs) bands (ev): -41.2009 -41.2009 -41.2003 -41.2003 -18.7739 -18.7739 -18.7630 -18.7630 -16.7076 -16.7076 -16.6800 -16.6800 -16.6529 -16.6529 -16.6491 -16.6491 0.0880 0.0880 1.9440 1.9440 2.9408 2.9408 8.7755 8.7755 9.2342 9.2342 9.8631 9.8631 10.4035 10.4035 10.4890 10.4890 11.1155 11.1155 11.7306 11.7306 11.9080 11.9080 13.0520 13.0520 13.1962 13.1962 13.3059 13.3059 14.4065 14.4065 14.6192 14.6192 14.8531 14.8531 15.2833 15.2833 k = 0.0000 0.0667-0.0000 ( 3651 PWs) bands (ev): -41.2009 -41.2009 -41.2002 -41.2002 -18.7743 -18.7743 -18.7636 -18.7636 -16.7077 -16.7077 -16.6804 -16.6804 -16.6539 -16.6539 -16.6501 -16.6501 0.1043 0.1043 1.9562 1.9562 2.9515 2.9515 8.7912 8.7912 9.1853 9.1853 9.7527 9.7527 10.4170 10.4170 10.5094 10.5094 11.1124 11.1124 11.7290 11.7290 11.9095 11.9095 13.0938 13.0938 13.1871 13.1871 13.2860 13.2860 14.3376 14.3376 14.6148 14.6148 14.8664 14.8664 15.3465 15.3465 k = 0.0000 0.0778-0.0000 ( 3655 PWs) bands (ev): -41.2007 -41.2007 -41.2001 -41.2001 -18.7749 -18.7749 -18.7642 -18.7642 -16.7079 -16.7079 -16.6809 -16.6809 -16.6551 -16.6551 -16.6513 -16.6513 0.1237 0.1237 1.9706 1.9706 2.9639 2.9639 8.8097 8.8097 9.1288 9.1288 9.6332 9.6332 10.4328 10.4328 10.5290 10.5290 11.1080 11.1080 11.7252 11.7252 11.9138 11.9138 13.0992 13.0992 13.2134 13.2134 13.2628 13.2628 14.2680 14.2680 14.6091 14.6091 14.8819 14.8819 15.4195 15.4195 k = 0.0000 0.0889-0.0000 ( 3647 PWs) bands (ev): -41.2005 -41.2005 -41.1998 -41.1998 -18.7755 -18.7755 -18.7649 -18.7649 -16.7082 -16.7082 -16.6816 -16.6816 -16.6564 -16.6564 -16.6524 -16.6524 0.1459 0.1459 1.9873 1.9873 2.9780 2.9780 8.8307 8.8307 9.0654 9.0654 9.5063 9.5063 10.4509 10.4509 10.5482 10.5482 11.1019 11.1019 11.7188 11.7188 11.9214 11.9214 13.0724 13.0724 13.2336 13.2336 13.2718 13.2718 14.2001 14.2001 14.6020 14.6020 14.8998 14.8998 15.5015 15.5015 k = 0.0000 0.1000-0.0000 ( 3645 PWs) bands (ev): -41.2003 -41.2003 -41.1996 -41.1996 -18.7761 -18.7761 -18.7657 -18.7657 -16.7086 -16.7086 -16.6824 -16.6824 -16.6578 -16.6578 -16.6537 -16.6537 0.1710 0.1710 2.0062 2.0062 2.9936 2.9936 8.8538 8.8538 8.9960 8.9960 9.3731 9.3731 10.4713 10.4713 10.5677 10.5677 11.0936 11.0936 11.7094 11.7094 11.9325 11.9325 13.0340 13.0340 13.2018 13.2018 13.3372 13.3372 14.1359 14.1359 14.5934 14.5934 14.9200 14.9200 15.4449 15.4449 k = 0.0000 0.1111-0.0000 ( 3649 PWs) bands (ev): -41.2001 -41.2001 -41.1994 -41.1994 -18.7769 -18.7769 -18.7665 -18.7665 -16.7091 -16.7091 -16.6835 -16.6835 -16.6592 -16.6592 -16.6548 -16.6548 0.1990 0.1990 2.0273 2.0273 3.0107 3.0107 8.8746 8.8746 8.9254 8.9254 9.2353 9.2353 10.4940 10.4940 10.5879 10.5879 11.0826 11.0826 11.6971 11.6971 11.9468 11.9468 12.9897 12.9897 13.1640 13.1640 13.4060 13.4060 14.0768 14.0768 14.5833 14.5833 14.9425 14.9425 15.3716 15.3716 k = 0.0000 0.1222-0.0000 ( 3647 PWs) bands (ev): -41.1999 -41.1999 -41.1991 -41.1991 -18.7777 -18.7777 -18.7675 -18.7675 -16.7097 -16.7097 -16.6849 -16.6849 -16.6607 -16.6607 -16.6559 -16.6559 0.2298 0.2298 2.0507 2.0507 3.0290 3.0290 8.8305 8.8305 8.9160 8.9160 9.0948 9.0948 10.5191 10.5191 10.6089 10.6089 11.0683 11.0683 11.6822 11.6822 11.9639 11.9639 12.9415 12.9415 13.1204 13.1204 13.4761 13.4761 14.0238 14.0238 14.5718 14.5718 14.9673 14.9673 15.2991 15.2991 k = 0.0000 0.1333-0.0000 ( 3655 PWs) bands (ev): -41.1997 -41.1997 -41.1989 -41.1989 -18.7786 -18.7786 -18.7685 -18.7685 -16.7106 -16.7106 -16.6865 -16.6865 -16.6621 -16.6621 -16.6569 -16.6569 0.2635 0.2635 2.0763 2.0763 3.0485 3.0485 8.7444 8.7444 8.9314 8.9314 8.9665 8.9665 10.5464 10.5464 10.6309 10.6309 11.0503 11.0503 11.6651 11.6651 11.9834 11.9834 12.8904 12.8904 13.0709 13.0709 13.5465 13.5465 13.9774 13.9774 14.5590 14.5590 14.9942 14.9942 15.2288 15.2288 k = 0.0000 0.1444-0.0000 ( 3659 PWs) bands (ev): -41.1995 -41.1995 -41.1986 -41.1986 -18.7795 -18.7795 -18.7697 -18.7697 -16.7116 -16.7116 -16.6885 -16.6885 -16.6635 -16.6635 -16.6578 -16.6578 0.2999 0.2999 2.1041 2.1041 3.0689 3.0689 8.6480 8.6480 8.8092 8.8092 8.9827 8.9827 10.5760 10.5760 10.6541 10.6541 11.0279 11.0279 11.6461 11.6461 12.0048 12.0048 12.8373 12.8373 13.0159 13.0159 13.6165 13.6165 13.9378 13.9378 14.5450 14.5450 15.0232 15.0232 15.1622 15.1622 k = 0.0000 0.1556-0.0000 ( 3653 PWs) bands (ev): -41.1991 -41.1991 -41.1984 -41.1984 -18.7805 -18.7805 -18.7708 -18.7708 -16.7128 -16.7128 -16.6908 -16.6908 -16.6648 -16.6648 -16.6584 -16.6584 0.3391 0.3391 2.1342 2.1342 3.0900 3.0900 8.5380 8.5380 8.6791 8.6791 9.0183 9.0183 10.6078 10.6078 10.6785 10.6785 11.0006 11.0006 11.6256 11.6256 12.0276 12.0276 12.7830 12.7830 12.9560 12.9560 13.6857 13.6857 13.9049 13.9049 14.5303 14.5303 15.0517 15.0517 15.1027 15.1027 k = 0.0000 0.1667-0.0000 ( 3653 PWs) bands (ev): -41.1988 -41.1988 -41.1981 -41.1981 -18.7816 -18.7816 -18.7720 -18.7720 -16.7143 -16.7143 -16.6934 -16.6934 -16.6659 -16.6659 -16.6589 -16.6589 0.3810 0.3810 2.1665 2.1665 3.1116 3.1116 8.4103 8.4103 8.5629 8.5629 9.0568 9.0568 10.6417 10.6417 10.7038 10.7038 10.9679 10.9679 11.6039 11.6039 12.0514 12.0514 12.7282 12.7282 12.8921 12.8921 13.7521 13.7521 13.8798 13.8798 14.5153 14.5153 15.0355 15.0355 15.0955 15.0955 k = 0.0000 0.1778-0.0000 ( 3655 PWs) bands (ev): -41.1985 -41.1985 -41.1978 -41.1978 -18.7827 -18.7827 -18.7733 -18.7733 -16.7160 -16.7160 -16.6963 -16.6963 -16.6669 -16.6669 -16.6593 -16.6593 0.4256 0.4256 2.2010 2.2010 3.1334 3.1334 8.2682 8.2682 8.4591 8.4591 9.0976 9.0976 10.6777 10.6777 10.7302 10.7302 10.9295 10.9295 11.5814 11.5814 12.0758 12.0758 12.6732 12.6732 12.8252 12.8252 13.8049 13.8049 13.8725 13.8725 14.5004 14.5004 14.9865 14.9865 15.1296 15.1296 k = 0.0000 0.1889-0.0000 ( 3659 PWs) bands (ev): -41.1982 -41.1982 -41.1975 -41.1975 -18.7838 -18.7838 -18.7747 -18.7747 -16.7180 -16.7180 -16.6994 -16.6994 -16.6677 -16.6677 -16.6595 -16.6595 0.4728 0.4728 2.2378 2.2378 3.1553 3.1553 8.1178 8.1178 8.3629 8.3629 9.1403 9.1403 10.7155 10.7155 10.7573 10.7573 10.8854 10.8854 11.5582 11.5582 12.1003 12.1003 12.6185 12.6185 12.7564 12.7564 13.8121 13.8121 13.9137 13.9137 14.4862 14.4862 14.9421 14.9421 15.1680 15.1680 k = 0.0000 0.2000-0.0000 ( 3655 PWs) bands (ev): -41.1979 -41.1979 -41.1971 -41.1971 -18.7850 -18.7850 -18.7761 -18.7761 -16.7202 -16.7202 -16.7027 -16.7027 -16.6683 -16.6683 -16.6596 -16.6596 0.5226 0.5226 2.2768 2.2768 3.1767 3.1767 7.9633 7.9633 8.2710 8.2710 9.1848 9.1848 10.7545 10.7545 10.7833 10.7833 10.8379 10.8379 11.5346 11.5346 12.1245 12.1245 12.5641 12.5641 12.6871 12.6871 13.7990 13.7990 13.9773 13.9773 14.4736 14.4736 14.9046 14.9046 15.2090 15.2090 k = 0.0000 0.2111-0.0000 ( 3653 PWs) bands (ev): -41.1974 -41.1974 -41.1968 -41.1968 -18.7862 -18.7862 -18.7775 -18.7775 -16.7227 -16.7227 -16.7062 -16.7062 -16.6688 -16.6688 -16.6596 -16.6596 0.5748 0.5748 2.3181 2.3181 3.1976 3.1976 7.8069 7.8069 8.1827 8.1827 9.2305 9.2305 10.7691 10.7691 10.7943 10.7943 10.8264 10.8264 11.5108 11.5108 12.1481 12.1481 12.5097 12.5097 12.6184 12.6184 13.7838 13.7838 14.0436 14.0436 14.4636 14.4636 14.8744 14.8744 15.2523 15.2523 k = 0.0000 0.2222-0.0000 ( 3651 PWs) bands (ev): -41.1970 -41.1970 -41.1964 -41.1964 -18.7874 -18.7874 -18.7790 -18.7790 -16.7253 -16.7253 -16.7099 -16.7099 -16.6690 -16.6690 -16.6595 -16.6595 0.6296 0.6296 2.3617 2.3617 3.2174 3.2174 7.6496 7.6496 8.0976 8.0976 9.2772 9.2772 10.7104 10.7104 10.8304 10.8304 10.8600 10.8600 11.4872 11.4872 12.1704 12.1704 12.4547 12.4547 12.5520 12.5520 13.7684 13.7684 14.1090 14.1090 14.4578 14.4578 14.8521 14.8521 15.2980 15.2980 k = 0.0000 0.2333-0.0000 ( 3651 PWs) bands (ev): -41.1966 -41.1966 -41.1962 -41.1962 -18.7886 -18.7886 -18.7805 -18.7805 -16.7281 -16.7281 -16.7137 -16.7137 -16.6691 -16.6691 -16.6593 -16.6593 0.6867 0.6867 2.4075 2.4075 3.2359 3.2359 7.4920 7.4920 8.0160 8.0160 9.3242 9.3242 10.6438 10.6438 10.8629 10.8629 10.9023 10.9023 11.4639 11.4639 12.1907 12.1907 12.3982 12.3982 12.4895 12.4895 13.7528 13.7528 14.1711 14.1711 14.4586 14.4586 14.8376 14.8376 15.3458 15.3458 k = 0.0000 0.2444-0.0000 ( 3655 PWs) bands (ev): -41.1963 -41.1963 -41.1959 -41.1959 -18.7899 -18.7899 -18.7820 -18.7820 -16.7311 -16.7311 -16.7175 -16.7175 -16.6691 -16.6691 -16.6591 -16.6591 0.7462 0.7462 2.4556 2.4556 3.2526 3.2526 7.3348 7.3348 7.9384 7.9384 9.3708 9.3708 10.5730 10.5730 10.8933 10.8933 10.9491 10.9491 11.4412 11.4412 12.2075 12.2075 12.3406 12.3406 12.4322 12.4322 13.7365 13.7365 14.2261 14.2261 14.4700 14.4700 14.8310 14.8310 15.3957 15.3957 k = 0.0000 0.2556-0.0000 ( 3655 PWs) bands (ev): -41.1958 -41.1958 -41.1956 -41.1956 -18.7912 -18.7912 -18.7835 -18.7835 -16.7342 -16.7342 -16.7214 -16.7214 -16.6689 -16.6689 -16.6589 -16.6589 0.8080 0.8080 2.5059 2.5059 3.2671 3.2671 7.1782 7.1782 7.8653 7.8653 9.4158 9.4158 10.4999 10.4999 10.9226 10.9226 10.9986 10.9986 11.4194 11.4194 12.2148 12.2148 12.2875 12.2875 12.3801 12.3801 13.7189 13.7189 14.2696 14.2696 14.4971 14.4971 14.8322 14.8322 15.4477 15.4477 k = 0.0000 0.2667-0.0000 ( 3645 PWs) bands (ev): -41.1954 -41.1954 -41.1951 -41.1951 -18.7924 -18.7924 -18.7850 -18.7850 -16.7373 -16.7373 -16.7253 -16.7253 -16.6686 -16.6686 -16.6586 -16.6586 0.8720 0.8720 2.5586 2.5586 3.2790 3.2790 7.0225 7.0225 7.7971 7.7971 9.4575 9.4575 10.4269 10.4269 10.9511 10.9511 11.0500 11.0500 11.3991 11.3991 12.1881 12.1881 12.2638 12.2638 12.3325 12.3325 13.6998 13.6998 14.2997 14.2997 14.5422 14.5422 14.8410 14.8410 15.5016 15.5016 k = 0.0000 0.2778-0.0000 ( 3636 PWs) bands (ev): -41.1950 -41.1950 -41.1946 -41.1946 -18.7937 -18.7937 -18.7866 -18.7866 -16.7405 -16.7405 -16.7292 -16.7292 -16.6682 -16.6682 -16.6583 -16.6583 0.9380 0.9380 2.6135 2.6135 3.2880 3.2880 6.8679 6.8679 7.7344 7.7344 9.4931 9.4931 10.3570 10.3570 10.9790 10.9790 11.1023 11.1023 11.3809 11.3809 12.1317 12.1317 12.2652 12.2652 12.2891 12.2891 13.6784 13.6784 14.3200 14.3200 14.6022 14.6022 14.8569 14.8569 15.5574 15.5574 k = 0.0000 0.2889-0.0000 ( 3634 PWs) bands (ev): -41.1946 -41.1946 -41.1943 -41.1943 -18.7949 -18.7949 -18.7881 -18.7881 -16.7437 -16.7437 -16.7331 -16.7331 -16.6677 -16.6677 -16.6580 -16.6580 1.0062 1.0062 2.6707 2.6707 3.2935 3.2935 6.7147 6.7147 7.6776 7.6776 9.5189 9.5189 10.2948 10.2948 11.0060 11.0060 11.1541 11.1541 11.3664 11.3664 12.0697 12.0697 12.2440 12.2440 12.2731 12.2731 13.6545 13.6545 14.3357 14.3357 14.6721 14.6721 14.8795 14.8795 15.6148 15.6148 k = 0.0000 0.3000-0.0000 ( 3640 PWs) bands (ev): -41.1944 -41.1944 -41.1940 -41.1940 -18.7961 -18.7961 -18.7897 -18.7897 -16.7468 -16.7468 -16.7369 -16.7369 -16.6671 -16.6671 -16.6577 -16.6577 1.0762 1.0762 2.7303 2.7303 3.2952 3.2952 6.5631 6.5631 7.6274 7.6274 9.5296 9.5296 10.2460 10.2460 11.0322 11.0322 11.2016 11.2016 11.3593 11.3593 12.0074 12.0074 12.2046 12.2046 12.2745 12.2745 13.6277 13.6277 14.3510 14.3510 14.7480 14.7480 14.9083 14.9083 15.6738 15.6738 k = 0.0000 0.3111-0.0000 ( 3644 PWs) bands (ev): -41.1941 -41.1941 -41.1937 -41.1937 -18.7973 -18.7973 -18.7912 -18.7912 -16.7500 -16.7500 -16.7407 -16.7407 -16.6666 -16.6666 -16.6574 -16.6574 1.1481 1.1481 2.7921 2.7921 3.2926 3.2926 6.4131 6.4131 7.5841 7.5841 9.5198 9.5198 10.2165 10.2165 11.0573 11.0573 11.2365 11.2365 11.3681 11.3681 11.9461 11.9461 12.1662 12.1662 12.2725 12.2725 13.5976 13.5976 14.3681 14.3681 14.8274 14.8274 14.9432 14.9432 15.7343 15.7343 k = 0.0000 0.3222-0.0000 ( 3640 PWs) bands (ev): -41.1938 -41.1938 -41.1933 -41.1933 -18.7985 -18.7985 -18.7926 -18.7926 -16.7530 -16.7530 -16.7443 -16.7443 -16.6659 -16.6659 -16.6571 -16.6571 1.2218 1.2218 2.8563 2.8563 3.2856 3.2856 6.2650 6.2650 7.5481 7.5481 9.4867 9.4867 10.2097 10.2097 11.0813 11.0813 11.2504 11.2504 11.4012 11.4012 11.8864 11.8864 12.1291 12.1291 12.2661 12.2661 13.5640 13.5640 14.3883 14.3883 14.9071 14.9071 14.9852 14.9852 15.7958 15.7958 k = 0.0000 0.3333-0.0000 ( 3640 PWs) bands (ev): -41.1934 -41.1934 -41.1930 -41.1930 -18.7996 -18.7996 -18.7941 -18.7941 -16.7560 -16.7560 -16.7479 -16.7479 -16.6653 -16.6653 -16.6568 -16.6568 1.2971 1.2971 2.9227 2.9227 3.2738 3.2738 6.1189 6.1189 7.5197 7.5197 9.4316 9.4316 10.2245 10.2245 11.1038 11.1038 11.2496 11.2496 11.4526 11.4526 11.8287 11.8287 12.0933 12.0933 12.2548 12.2548 13.5267 13.5267 14.4125 14.4125 14.9803 14.9803 15.0396 15.0396 15.8583 15.8583 k = 0.0000 0.3444-0.0000 ( 3644 PWs) bands (ev): -41.1931 -41.1931 -41.1927 -41.1927 -18.8007 -18.8007 -18.7955 -18.7955 -16.7588 -16.7588 -16.7513 -16.7513 -16.6646 -16.6646 -16.6566 -16.6566 1.3739 1.3739 2.9914 2.9914 3.2570 3.2570 5.9749 5.9749 7.4994 7.4994 9.3592 9.3592 10.2569 10.2569 11.1247 11.1247 11.2434 11.2434 11.5128 11.5128 11.7733 11.7733 12.0587 12.0587 12.2385 12.2385 13.4855 13.4855 14.4409 14.4409 15.0383 15.0383 15.1133 15.1133 15.9215 15.9215 k = 0.0000 0.3556-0.0000 ( 3640 PWs) bands (ev): -41.1928 -41.1928 -41.1925 -41.1925 -18.8017 -18.8017 -18.7968 -18.7968 -16.7616 -16.7616 -16.7546 -16.7546 -16.6639 -16.6639 -16.6563 -16.6563 1.4521 1.4521 3.0621 3.0621 3.2354 3.2354 5.8331 5.8331 7.4871 7.4871 9.2745 9.2745 10.3019 10.3019 11.1437 11.1437 11.2365 11.2365 11.5775 11.5775 11.7204 11.7204 12.0256 12.0256 12.2173 12.2173 13.4404 13.4404 14.4738 14.4738 15.0868 15.0868 15.1991 15.1991 15.9849 15.9849 k = 0.0000 0.3667-0.0000 ( 3646 PWs) bands (ev): -41.1925 -41.1925 -41.1923 -41.1923 -18.8026 -18.8026 -18.7981 -18.7981 -16.7641 -16.7641 -16.7577 -16.7577 -16.6632 -16.6632 -16.6561 -16.6561 1.5315 1.5315 3.1329 3.1329 3.2107 3.2107 5.6936 5.6936 7.4831 7.4831 9.1816 9.1816 10.3557 10.3557 11.1600 11.1600 11.2309 11.2309 11.6413 11.6413 11.6737 11.6737 11.9938 11.9938 12.1913 12.1913 13.3913 13.3913 14.5112 14.5112 15.1316 15.1316 15.2895 15.2895 16.0482 16.0482 k = 0.0000 0.3778-0.0000 ( 3644 PWs) bands (ev): -41.1923 -41.1923 -41.1920 -41.1920 -18.8035 -18.8035 -18.7994 -18.7994 -16.7665 -16.7665 -16.7606 -16.7606 -16.6625 -16.6625 -16.6559 -16.6559 1.6120 1.6120 3.1648 3.1648 3.2220 3.2220 5.5565 5.5565 7.4873 7.4873 9.0836 9.0836 10.4156 10.4156 11.1728 11.1728 11.2282 11.2282 11.6185 11.6185 11.7183 11.7183 11.9637 11.9637 12.1609 12.1609 13.3384 13.3384 14.5529 14.5529 15.1733 15.1733 15.3818 15.3818 16.1107 16.1107 k = 0.0000 0.3889-0.0000 ( 3640 PWs) bands (ev): -41.1920 -41.1920 -41.1917 -41.1917 -18.8043 -18.8043 -18.8005 -18.8005 -16.7687 -16.7687 -16.7634 -16.7634 -16.6619 -16.6619 -16.6558 -16.6558 1.6934 1.6934 3.1317 3.1317 3.2955 3.2955 5.4219 5.4219 7.4998 7.4998 8.9827 8.9827 10.4796 10.4796 11.1813 11.1813 11.2293 11.2293 11.5734 11.5734 11.7892 11.7892 11.9357 11.9357 12.1266 12.1266 13.2818 13.2818 14.5986 14.5986 15.2113 15.2113 15.4748 15.4748 16.1721 16.1721 k = 0.0000 0.4000-0.0000 ( 3644 PWs) bands (ev): -41.1917 -41.1917 -41.1916 -41.1916 -18.8050 -18.8050 -18.8016 -18.8016 -16.7708 -16.7708 -16.7660 -16.7660 -16.6612 -16.6612 -16.6557 -16.6557 1.7756 1.7756 3.0892 3.0892 3.3757 3.3757 5.2898 5.2898 7.5203 7.5203 8.8801 8.8801 10.5462 10.5462 11.1860 11.1860 11.2337 11.2337 11.5304 11.5304 11.8592 11.8592 11.9124 11.9124 12.0891 12.0891 13.2217 13.2217 14.6481 14.6481 15.2443 15.2443 15.5675 15.5675 16.2313 16.2313 k = 0.0000 0.4111-0.0000 ( 3646 PWs) bands (ev): -41.1916 -41.1916 -41.1914 -41.1914 -18.8057 -18.8057 -18.8027 -18.8027 -16.7726 -16.7726 -16.7683 -16.7683 -16.6606 -16.6606 -16.6556 -16.6556 1.8584 1.8584 3.0411 3.0411 3.4591 3.4591 5.1603 5.1603 7.5487 7.5487 8.7772 8.7772 10.6145 10.6145 11.1887 11.1887 11.2391 11.2391 11.4900 11.4900 11.8775 11.8775 11.9442 11.9442 12.0491 12.0491 13.1582 13.1582 14.7009 14.7009 15.2710 15.2710 15.6588 15.6588 16.2877 16.2877 k = 0.0000 0.4222-0.0000 ( 3644 PWs) bands (ev): -41.1914 -41.1914 -41.1912 -41.1912 -18.8062 -18.8062 -18.8036 -18.8036 -16.7741 -16.7741 -16.7704 -16.7704 -16.6600 -16.6600 -16.6556 -16.6556 1.9415 1.9415 2.9882 2.9882 3.5451 3.5451 5.0335 5.0335 7.5847 7.5847 8.6747 8.6747 10.6835 10.6835 11.1913 11.1913 11.2432 11.2432 11.4523 11.4523 11.8571 11.8571 12.0078 12.0078 12.0181 12.0181 13.0918 13.0918 14.7564 14.7564 15.2900 15.2900 15.7476 15.7476 16.3402 16.3402 k = 0.0000 0.4333-0.0000 ( 3652 PWs) bands (ev): -41.1914 -41.1914 -41.1910 -41.1910 -18.8067 -18.8067 -18.8044 -18.8044 -16.7755 -16.7755 -16.7723 -16.7723 -16.6594 -16.6594 -16.6556 -16.6556 2.0247 2.0247 2.9307 2.9307 3.6339 3.6339 4.9094 4.9094 7.6279 7.6279 8.5734 8.5734 10.7522 10.7522 11.1948 11.1948 11.2445 11.2445 11.4175 11.4175 11.8373 11.8373 11.9663 11.9663 12.0949 12.0949 13.0227 13.0227 14.8140 14.8140 15.3000 15.3000 15.8324 15.8324 16.3871 16.3871 k = 0.0000 0.4444-0.0000 ( 3656 PWs) bands (ev): -41.1912 -41.1912 -41.1910 -41.1910 -18.8071 -18.8071 -18.8052 -18.8052 -16.7766 -16.7766 -16.7740 -16.7740 -16.6588 -16.6588 -16.6557 -16.6557 2.1078 2.1078 2.8691 2.8691 3.7252 3.7252 4.7880 4.7880 7.6782 7.6782 8.4738 8.4738 10.8200 10.8200 11.1993 11.1993 11.2418 11.2418 11.3856 11.3856 11.8200 11.8200 11.9261 11.9261 12.1729 12.1729 12.9512 12.9512 14.8730 14.8730 15.3002 15.3002 15.9121 15.9121 16.4232 16.4232 k = 0.0000 0.4556-0.0000 ( 3656 PWs) bands (ev): -41.1911 -41.1911 -41.1909 -41.1909 -18.8074 -18.8074 -18.8058 -18.8058 -16.7775 -16.7775 -16.7754 -16.7754 -16.6583 -16.6583 -16.6558 -16.6558 2.1906 2.1906 2.8038 2.8038 3.8193 3.8193 4.6693 4.6693 7.7349 7.7349 8.3765 8.3765 10.8859 10.8859 11.2033 11.2033 11.2356 11.2356 11.3569 11.3569 11.8059 11.8059 11.8888 11.8888 12.2517 12.2517 12.8776 12.8776 14.9327 14.9327 15.2902 15.2902 15.9853 15.9853 16.4084 16.4084 k = 0.0000 0.4667-0.0000 ( 3650 PWs) bands (ev): -41.1910 -41.1910 -41.1907 -41.1907 -18.8075 -18.8075 -18.8064 -18.8064 -16.7781 -16.7781 -16.7766 -16.7766 -16.6578 -16.6578 -16.6559 -16.6559 2.2728 2.2728 2.7351 2.7351 3.9160 3.9160 4.5534 4.5534 7.7979 7.7979 8.2820 8.2820 10.9488 10.9488 11.1994 11.1994 11.2323 11.2323 11.3311 11.3311 11.7957 11.7957 11.8560 11.8560 12.3309 12.3309 12.8023 12.8023 14.9920 14.9920 15.2699 15.2699 16.0516 16.0516 16.3601 16.3601 k = 0.0000 0.4778-0.0000 ( 3634 PWs) bands (ev): -41.1908 -41.1908 -41.1905 -41.1905 -18.8076 -18.8076 -18.8068 -18.8068 -16.7785 -16.7785 -16.7775 -16.7775 -16.6574 -16.6574 -16.6561 -16.6561 2.3540 2.3540 2.6634 2.6634 4.0154 4.0154 4.4403 4.4403 7.8666 7.8666 8.1908 8.1908 11.0078 11.0078 11.1798 11.1798 11.2393 11.2393 11.3080 11.3080 11.7900 11.7900 11.8290 11.8290 12.4104 12.4104 12.7255 12.7255 15.0498 15.0498 15.2400 15.2400 16.1111 16.1111 16.3109 16.3109 k = 0.0000 0.4889-0.0000 ( 3634 PWs) bands (ev): -41.1907 -41.1907 -41.1905 -41.1905 -18.8075 -18.8075 -18.8072 -18.8072 -16.7786 -16.7786 -16.7781 -16.7781 -16.6570 -16.6570 -16.6564 -16.6564 2.4340 2.4340 2.5891 2.5891 4.1175 4.1175 4.3299 4.3299 7.9407 7.9407 8.1032 8.1032 11.0615 11.0615 11.1487 11.1487 11.2522 11.2522 11.2871 11.2871 11.7898 11.7898 11.8089 11.8089 12.4898 12.4898 12.6477 12.6477 15.1050 15.1050 15.2016 15.2016 16.1649 16.1649 16.2629 16.2629 k = 0.0000 0.5000-0.0000 ( 3638 PWs) bands (ev): -41.1906 -41.1906 -41.1906 -41.1906 -18.8074 -18.8074 -18.8074 -18.8074 -16.7785 -16.7785 -16.7785 -16.7785 -16.6567 -16.6567 -16.6567 -16.6567 2.5125 2.5125 2.5125 2.5125 4.2223 4.2223 4.2223 4.2223 8.0196 8.0196 8.0196 8.0196 11.1088 11.1088 11.1088 11.1088 11.2684 11.2684 11.2684 11.2684 11.7959 11.7959 11.7959 11.7959 12.5690 12.5690 12.5690 12.5690 15.1561 15.1561 15.1561 15.1561 16.2148 16.2148 16.2148 16.2148 k = 0.0000 0.5000-0.0000 ( 3638 PWs) bands (ev): -41.1906 -41.1906 -41.1906 -41.1906 -18.8074 -18.8074 -18.8074 -18.8074 -16.7785 -16.7785 -16.7785 -16.7785 -16.6567 -16.6567 -16.6567 -16.6567 2.5125 2.5125 2.5125 2.5125 4.2223 4.2223 4.2223 4.2223 8.0196 8.0196 8.0196 8.0196 11.1088 11.1088 11.1088 11.1088 11.2684 11.2684 11.2684 11.2684 11.7959 11.7959 11.7959 11.7959 12.5690 12.5690 12.5690 12.5690 15.1561 15.1561 15.1561 15.1561 16.2148 16.2148 16.2148 16.2148 k = 0.0111 0.5000-0.0000 ( 3638 PWs) bands (ev): -41.1906 -41.1906 -41.1906 -41.1906 -18.8075 -18.8075 -18.8074 -18.8074 -16.7785 -16.7785 -16.7785 -16.7785 -16.6569 -16.6569 -16.6567 -16.6567 2.5130 2.5130 2.5131 2.5131 4.2232 4.2232 4.2241 4.2241 8.0201 8.0201 8.0205 8.0205 11.1049 11.1049 11.1114 11.1114 11.2641 11.2641 11.2684 11.2684 11.7926 11.7926 11.7962 11.7962 12.5588 12.5588 12.5644 12.5644 15.1593 15.1593 15.1613 15.1613 16.2098 16.2098 16.2159 16.2159 k = 0.0222 0.5000-0.0000 ( 3650 PWs) bands (ev): -41.1907 -41.1907 -41.1907 -41.1907 -18.8076 -18.8076 -18.8075 -18.8075 -16.7785 -16.7785 -16.7784 -16.7784 -16.6573 -16.6573 -16.6570 -16.6570 2.5147 2.5147 2.5149 2.5149 4.2266 4.2266 4.2284 4.2284 8.0219 8.0219 8.0226 8.0226 11.0996 11.0996 11.1126 11.1126 11.2556 11.2556 11.2643 11.2643 11.7864 11.7864 11.7933 11.7933 12.5342 12.5342 12.5454 12.5454 15.1706 15.1706 15.1744 15.1744 16.2014 16.2014 16.2127 16.2127 k = 0.0333 0.5000-0.0000 ( 3650 PWs) bands (ev): -41.1906 -41.1906 -41.1906 -41.1906 -18.8078 -18.8078 -18.8076 -18.8076 -16.7785 -16.7785 -16.7783 -16.7783 -16.6579 -16.6579 -16.6575 -16.6575 2.5176 2.5176 2.5179 2.5179 4.2327 4.2327 4.2354 4.2354 8.0249 8.0249 8.0260 8.0260 11.0930 11.0930 11.1125 11.1125 11.2428 11.2428 11.2565 11.2565 11.7769 11.7769 11.7864 11.7864 12.4964 12.4964 12.5134 12.5134 15.1891 15.1891 15.1947 15.1947 16.1902 16.1902 16.2056 16.2056 k = 0.0444 0.5000-0.0000 ( 3642 PWs) bands (ev): -41.1905 -41.1905 -41.1905 -41.1905 -18.8081 -18.8081 -18.8079 -18.8079 -16.7784 -16.7784 -16.7782 -16.7782 -16.6588 -16.6588 -16.6583 -16.6583 2.5216 2.5216 2.5220 2.5220 4.2413 4.2413 4.2449 4.2449 8.0291 8.0291 8.0306 8.0306 11.0850 11.0850 11.1113 11.1113 11.2260 11.2260 11.2452 11.2452 11.7635 11.7635 11.7744 11.7744 12.4472 12.4472 12.4703 12.4703 15.2134 15.2134 15.2209 15.2209 16.1768 16.1768 16.1949 16.1949 k = 0.0556 0.5000-0.0000 ( 3654 PWs) bands (ev): -41.1905 -41.1905 -41.1905 -41.1905 -18.8084 -18.8084 -18.8081 -18.8081 -16.7784 -16.7784 -16.7781 -16.7781 -16.6599 -16.6599 -16.6593 -16.6593 2.5268 2.5268 2.5272 2.5272 4.2525 4.2525 4.2570 4.2570 8.0343 8.0343 8.0363 8.0363 11.0756 11.0756 11.1089 11.1089 11.2054 11.2054 11.2309 11.2309 11.7448 11.7448 11.7560 11.7560 12.3892 12.3892 12.4189 12.4189 15.2420 15.2420 15.2513 15.2513 16.1620 16.1620 16.1812 16.1812 k = 0.0667 0.5000-0.0000 ( 3646 PWs) bands (ev): -41.1903 -41.1903 -41.1903 -41.1903 -18.8088 -18.8088 -18.8085 -18.8085 -16.7783 -16.7783 -16.7780 -16.7780 -16.6611 -16.6611 -16.6604 -16.6604 2.5331 2.5331 2.5336 2.5336 4.2663 4.2663 4.2717 4.2717 8.0406 8.0406 8.0431 8.0431 11.0649 11.0649 11.1053 11.1053 11.1814 11.1814 11.2141 11.2141 11.7195 11.7195 11.7295 11.7295 12.3254 12.3254 12.3621 12.3621 15.2733 15.2733 15.2845 15.2845 16.1464 16.1464 16.1653 16.1653 k = 0.0778 0.5000-0.0000 ( 3642 PWs) bands (ev): -41.1901 -41.1901 -41.1901 -41.1901 -18.8093 -18.8093 -18.8089 -18.8089 -16.7782 -16.7782 -16.7778 -16.7778 -16.6626 -16.6626 -16.6618 -16.6618 2.5405 2.5405 2.5411 2.5411 4.2827 4.2827 4.2889 4.2889 8.0478 8.0478 8.0509 8.0509 11.0528 11.0528 11.1005 11.1005 11.1544 11.1544 11.1951 11.1951 11.6856 11.6856 11.6929 11.6929 12.2591 12.2591 12.3033 12.3033 15.3057 15.3057 15.3188 15.3188 16.1306 16.1306 16.1480 16.1480 k = 0.0889 0.5000-0.0000 ( 3646 PWs) bands (ev): -41.1899 -41.1899 -41.1899 -41.1899 -18.8098 -18.8098 -18.8094 -18.8094 -16.7781 -16.7781 -16.7777 -16.7777 -16.6643 -16.6643 -16.6633 -16.6633 2.5489 2.5489 2.5496 2.5496 4.3017 4.3017 4.3087 4.3087 8.0557 8.0557 8.0594 8.0594 11.0392 11.0392 11.0942 11.0942 11.1251 11.1251 11.1744 11.1744 11.6412 11.6412 11.6447 11.6447 12.1939 12.1939 12.2456 12.2456 15.3378 15.3378 15.3528 15.3528 16.1152 16.1152 16.1301 16.1301 k = 0.1000 0.5000-0.0000 ( 3650 PWs) bands (ev): -41.1898 -41.1898 -41.1898 -41.1898 -18.8104 -18.8104 -18.8099 -18.8099 -16.7780 -16.7780 -16.7776 -16.7776 -16.6661 -16.6661 -16.6651 -16.6651 2.5584 2.5584 2.5592 2.5592 4.3232 4.3232 4.3311 4.3311 8.0642 8.0642 8.0687 8.0687 11.0242 11.0242 11.0817 11.0817 11.0981 11.0981 11.1522 11.1522 11.5840 11.5840 11.5849 11.5849 12.1326 12.1326 12.1913 12.1913 15.3685 15.3685 15.3855 15.3855 16.1011 16.1011 16.1126 16.1126 k = 0.1111 0.5000-0.0000 ( 3650 PWs) bands (ev): -41.1896 -41.1896 -41.1896 -41.1896 -18.8111 -18.8111 -18.8105 -18.8105 -16.7779 -16.7779 -16.7774 -16.7774 -16.6681 -16.6681 -16.6670 -16.6670 2.5689 2.5689 2.5697 2.5697 4.3472 4.3472 4.3559 4.3559 8.0732 8.0732 8.0785 8.0785 11.0071 11.0071 11.0509 11.0509 11.0855 11.0855 11.1287 11.1287 11.5115 11.5115 11.5167 11.5167 12.0771 12.0771 12.1415 12.1415 15.3968 15.3968 15.4159 15.4159 16.0889 16.0889 16.0965 16.0965 k = 0.1222 0.5000-0.0000 ( 3648 PWs) bands (ev): -41.1893 -41.1893 -41.1893 -41.1893 -18.8118 -18.8118 -18.8112 -18.8112 -16.7779 -16.7779 -16.7773 -16.7773 -16.6702 -16.6702 -16.6690 -16.6690 2.5803 2.5803 2.5812 2.5812 4.3738 4.3738 4.3833 4.3833 8.0824 8.0824 8.0886 8.0886 10.9874 10.9874 11.0118 11.0118 11.0764 11.0764 11.1043 11.1043 11.4292 11.4292 11.4383 11.4383 12.0277 12.0277 12.0962 12.0962 15.4222 15.4222 15.4432 15.4432 16.0795 16.0795 16.0829 16.0829 k = 0.1333 0.5000-0.0000 ( 3636 PWs) bands (ev): -41.1890 -41.1890 -41.1890 -41.1890 -18.8125 -18.8125 -18.8119 -18.8119 -16.7778 -16.7778 -16.7772 -16.7772 -16.6725 -16.6725 -16.6711 -16.6711 2.5926 2.5926 2.5936 2.5936 4.4029 4.4029 4.4132 4.4132 8.0916 8.0916 8.0989 8.0989 10.9631 10.9631 10.9673 10.9673 11.0664 11.0664 11.0786 11.0786 11.3414 11.3414 11.3538 11.3538 11.9835 11.9835 12.0544 12.0544 15.4442 15.4442 15.4668 15.4668 16.0728 16.0728 16.0736 16.0736 k = 0.1444 0.5000-0.0000 ( 3628 PWs) bands (ev): -41.1886 -41.1886 -41.1886 -41.1886 -18.8133 -18.8133 -18.8126 -18.8126 -16.7778 -16.7778 -16.7772 -16.7772 -16.6748 -16.6748 -16.6734 -16.6734 2.6059 2.6059 2.6069 2.6069 4.4345 4.4345 4.4456 4.4456 8.1008 8.1008 8.1092 8.1092 10.9155 10.9155 10.9306 10.9306 11.0513 11.0513 11.0533 11.0533 11.2545 11.2545 11.2695 11.2695 11.9432 11.9432 12.0150 12.0150 15.4628 15.4628 15.4866 15.4866 16.0671 16.0671 16.0720 16.0720 k = 0.1556 0.5000-0.0000 ( 3632 PWs) bands (ev): -41.1884 -41.1884 -41.1884 -41.1884 -18.8141 -18.8141 -18.8134 -18.8134 -16.7778 -16.7778 -16.7771 -16.7771 -16.6772 -16.6772 -16.6757 -16.6757 2.6199 2.6199 2.6210 2.6210 4.4686 4.4686 4.4804 4.4804 8.1097 8.1097 8.1193 8.1193 10.8530 10.8530 10.8831 10.8831 11.0215 11.0215 11.0334 11.0334 11.1788 11.1788 11.1954 11.1954 11.9053 11.9053 11.9768 11.9768 15.4781 15.4781 15.5024 15.5024 16.0665 16.0665 16.0752 16.0752 k = 0.1667 0.5000-0.0000 ( 3632 PWs) bands (ev): -41.1881 -41.1881 -41.1881 -41.1881 -18.8150 -18.8150 -18.8143 -18.8143 -16.7779 -16.7779 -16.7772 -16.7772 -16.6797 -16.6797 -16.6781 -16.6781 2.6347 2.6347 2.6359 2.6359 4.5051 4.5051 4.5176 4.5176 8.1181 8.1181 8.1291 8.1291 10.7758 10.7758 10.8128 10.8128 10.9889 10.9889 11.0012 11.0012 11.1239 11.1239 11.1430 11.1430 11.8687 11.8687 11.9390 11.9390 15.4906 15.4906 15.5147 15.5147 16.0713 16.0713 16.0832 16.0832 k = 0.1778 0.5000-0.0000 ( 3630 PWs) bands (ev): -41.1878 -41.1878 -41.1878 -41.1878 -18.8160 -18.8160 -18.8152 -18.8152 -16.7780 -16.7780 -16.7773 -16.7773 -16.6821 -16.6821 -16.6805 -16.6805 2.6502 2.6502 2.6514 2.6514 4.5441 4.5441 4.5573 4.5573 8.1258 8.1258 8.1382 8.1382 10.6823 10.6823 10.7189 10.7189 10.9556 10.9556 10.9577 10.9577 11.0905 11.0905 11.1149 11.1149 11.8326 11.8326 11.9008 11.9008 15.5010 15.5010 15.5241 15.5241 16.0815 16.0815 16.0962 16.0962 k = 0.1889 0.5000-0.0000 ( 3634 PWs) bands (ev): -41.1875 -41.1875 -41.1875 -41.1875 -18.8169 -18.8169 -18.8161 -18.8161 -16.7782 -16.7782 -16.7775 -16.7775 -16.6846 -16.6846 -16.6830 -16.6830 2.6663 2.6663 2.6676 2.6676 4.5854 4.5854 4.5994 4.5994 8.1327 8.1327 8.1466 8.1466 10.5746 10.5746 10.6081 10.6081 10.9114 10.9114 10.9229 10.9229 11.0719 11.0719 11.1017 11.1017 11.7966 11.7966 11.8620 11.8620 15.5099 15.5099 15.5314 15.5314 16.0965 16.0965 16.1137 16.1137 k = 0.2000 0.5000-0.0000 ( 3634 PWs) bands (ev): -41.1872 -41.1872 -41.1872 -41.1872 -18.8179 -18.8179 -18.8171 -18.8171 -16.7785 -16.7785 -16.7777 -16.7777 -16.6871 -16.6871 -16.6854 -16.6854 2.6830 2.6830 2.6843 2.6843 4.6292 4.6292 4.6438 4.6438 8.1387 8.1387 8.1541 8.1541 10.4568 10.4568 10.4872 10.4872 10.8666 10.8666 10.8904 10.8904 11.0626 11.0626 11.0963 11.0963 11.7603 11.7603 11.8223 11.8223 15.5183 15.5183 15.5376 15.5376 16.1156 16.1156 16.1353 16.1353 k = 0.2111 0.5000-0.0000 ( 3634 PWs) bands (ev): -41.1868 -41.1868 -41.1868 -41.1868 -18.8190 -18.8190 -18.8181 -18.8181 -16.7789 -16.7789 -16.7781 -16.7781 -16.6895 -16.6895 -16.6877 -16.6877 2.7002 2.7002 2.7015 2.7015 4.6753 4.6753 4.6905 4.6905 8.1436 8.1436 8.1606 8.1606 10.3322 10.3322 10.3603 10.3603 10.8240 10.8240 10.8579 10.8579 11.0597 11.0597 11.0955 11.0955 11.7239 11.7239 11.7817 11.7817 15.5270 15.5270 15.5437 15.5437 16.1379 16.1379 16.1603 16.1603 k = 0.2222 0.5000-0.0000 ( 3630 PWs) bands (ev): -41.1864 -41.1864 -41.1864 -41.1864 -18.8200 -18.8200 -18.8191 -18.8191 -16.7794 -16.7794 -16.7786 -16.7786 -16.6918 -16.6918 -16.6901 -16.6901 2.7178 2.7178 2.7192 2.7192 4.7237 4.7237 4.7395 4.7395 8.1474 8.1474 8.1660 8.1660 10.2035 10.2035 10.2299 10.2299 10.7831 10.7831 10.8250 10.8250 11.0619 11.0619 11.0979 11.0979 11.6874 11.6874 11.7404 11.7404 15.5368 15.5368 15.5506 15.5506 16.1622 16.1622 16.1877 16.1877 k = 0.2333 0.5000-0.0000 ( 3642 PWs) bands (ev): -41.1862 -41.1862 -41.1862 -41.1862 -18.8211 -18.8211 -18.8202 -18.8202 -16.7799 -16.7799 -16.7792 -16.7792 -16.6941 -16.6941 -16.6923 -16.6923 2.7357 2.7357 2.7372 2.7372 4.7744 4.7744 4.7907 4.7907 8.1501 8.1501 8.1701 8.1701 10.0721 10.0721 10.0973 10.0973 10.7434 10.7434 10.7916 10.7916 11.0682 11.0682 11.1029 11.1029 11.6511 11.6511 11.6986 11.6986 15.5480 15.5480 15.5589 15.5589 16.1873 16.1873 16.2164 16.2164 k = 0.2444 0.5000-0.0000 ( 3640 PWs) bands (ev): -41.1858 -41.1858 -41.1858 -41.1858 -18.8221 -18.8221 -18.8213 -18.8213 -16.7806 -16.7806 -16.7799 -16.7799 -16.6962 -16.6962 -16.6944 -16.6944 2.7539 2.7539 2.7554 2.7554 4.8273 4.8273 4.8441 4.8441 8.1515 8.1515 8.1730 8.1730 9.9391 9.9391 9.9636 9.9636 10.7046 10.7046 10.7578 10.7578 11.0781 11.0781 11.1099 11.1099 11.6154 11.6154 11.6566 11.6566 15.5614 15.5614 15.5693 15.5693 16.2118 16.2118 16.2446 16.2446 k = 0.2556 0.5000-0.0000 ( 3652 PWs) bands (ev): -41.1856 -41.1856 -41.1856 -41.1856 -18.8232 -18.8232 -18.8224 -18.8224 -16.7815 -16.7815 -16.7807 -16.7807 -16.6982 -16.6982 -16.6964 -16.6964 2.7723 2.7723 2.7738 2.7738 4.8823 4.8823 4.8997 4.8997 8.1517 8.1517 8.1746 8.1746 9.8054 9.8054 9.8293 9.8293 10.6666 10.6666 10.7235 10.7235 11.0910 11.0910 11.1185 11.1185 11.5809 11.5809 11.6149 11.6149 15.5772 15.5772 15.5821 15.5821 16.2344 16.2344 16.2704 16.2704 k = 0.2667 0.5000-0.0000 ( 3652 PWs) bands (ev): -41.1853 -41.1853 -41.1853 -41.1853 -18.8243 -18.8243 -18.8235 -18.8235 -16.7824 -16.7824 -16.7817 -16.7817 -16.7000 -16.7000 -16.6983 -16.6983 2.7908 2.7908 2.7923 2.7923 4.9395 4.9395 4.9574 4.9574 8.1507 8.1507 8.1749 8.1749 9.6715 9.6715 9.6951 9.6951 10.6291 10.6291 10.6888 10.6888 11.1064 11.1064 11.1280 11.1280 11.5484 11.5484 11.5740 11.5740 15.5955 15.5955 15.5975 15.5975 16.2544 16.2544 16.2920 16.2920 k = 0.2778 0.5000-0.0000 ( 3648 PWs) bands (ev): -41.1849 -41.1849 -41.1849 -41.1849 -18.8254 -18.8254 -18.8245 -18.8245 -16.7834 -16.7834 -16.7828 -16.7828 -16.7017 -16.7017 -16.7000 -16.7000 2.8093 2.8093 2.8108 2.8108 4.9988 4.9988 5.0170 5.0170 8.1486 8.1486 8.1740 8.1740 9.5379 9.5379 9.5612 9.5612 10.5922 10.5922 10.6539 10.6539 11.1235 11.1235 11.1374 11.1374 11.5188 11.5188 11.5347 11.5347 15.6158 15.6158 15.6166 15.6166 16.2715 16.2715 16.3089 16.3089 k = 0.2889 0.5000-0.0000 ( 3650 PWs) bands (ev): -41.1846 -41.1846 -41.1846 -41.1846 -18.8265 -18.8265 -18.8256 -18.8256 -16.7846 -16.7846 -16.7840 -16.7840 -16.7032 -16.7032 -16.7016 -16.7016 2.8277 2.8277 2.8292 2.8292 5.0600 5.0600 5.0786 5.0786 8.1456 8.1456 8.1719 8.1719 9.4049 9.4049 9.4281 9.4281 10.5559 10.5559 10.6189 10.6189 11.1411 11.1411 11.1454 11.1454 11.4935 11.4935 11.4980 11.4980 15.6369 15.6369 15.6403 15.6403 16.2859 16.2859 16.3217 16.3217 k = 0.3000 0.5000-0.0000 ( 3650 PWs) bands (ev): -41.1842 -41.1842 -41.1842 -41.1842 -18.8275 -18.8275 -18.8267 -18.8267 -16.7858 -16.7858 -16.7853 -16.7853 -16.7046 -16.7046 -16.7030 -16.7030 2.8459 2.8459 2.8474 2.8474 5.1231 5.1231 5.1421 5.1421 8.1416 8.1416 8.1687 8.1687 9.2729 9.2729 9.2960 9.2960 10.5203 10.5203 10.5839 10.5839 11.1506 11.1506 11.1578 11.1578 11.4655 11.4655 11.4739 11.4739 15.6608 15.6608 15.6667 15.6667 16.2981 16.2981 16.3318 16.3318 k = 0.3111 0.5000-0.0000 ( 3650 PWs) bands (ev): -41.1839 -41.1839 -41.1839 -41.1839 -18.8286 -18.8286 -18.8277 -18.8277 -16.7872 -16.7872 -16.7867 -16.7867 -16.7057 -16.7057 -16.7043 -16.7043 2.8639 2.8639 2.8653 2.8653 5.1880 5.1880 5.2072 5.2072 8.1369 8.1369 8.1646 8.1646 9.1422 9.1422 9.1652 9.1652 10.4854 10.4854 10.5490 10.5490 11.1514 11.1514 11.1712 11.1712 11.4394 11.4394 11.4616 11.4616 15.6874 15.6874 15.6954 15.6954 16.3088 16.3088 16.3402 16.3402 k = 0.3222 0.5000-0.0000 ( 3646 PWs) bands (ev): -41.1835 -41.1835 -41.1835 -41.1835 -18.8296 -18.8296 -18.8288 -18.8288 -16.7886 -16.7886 -16.7881 -16.7881 -16.7068 -16.7068 -16.7054 -16.7054 2.8814 2.8814 2.8829 2.8829 5.2545 5.2545 5.2740 5.2740 8.1315 8.1315 8.1596 8.1596 9.0131 9.0131 9.0360 9.0360 10.4514 10.4514 10.5145 10.5145 11.1468 11.1468 11.1782 11.1782 11.4226 11.4226 11.4574 11.4574 15.7163 15.7163 15.7264 15.7264 16.3185 16.3185 16.3478 16.3478 k = 0.3333 0.5000-0.0000 ( 3650 PWs) bands (ev): -41.1833 -41.1833 -41.1833 -41.1833 -18.8306 -18.8306 -18.8298 -18.8298 -16.7900 -16.7900 -16.7896 -16.7896 -16.7077 -16.7077 -16.7064 -16.7064 2.8986 2.8986 2.9000 2.9000 5.3226 5.3226 5.3423 5.3423 8.1256 8.1256 8.1538 8.1538 8.8858 8.8858 8.9087 8.9087 10.4184 10.4184 10.4804 10.4804 11.1366 11.1366 11.1762 11.1762 11.4176 11.4176 11.4614 11.4614 15.7474 15.7474 15.7592 15.7592 16.3275 16.3275 16.3552 16.3552 k = 0.3444 0.5000-0.0000 ( 3646 PWs) bands (ev): -41.1829 -41.1829 -41.1829 -41.1829 -18.8315 -18.8315 -18.8308 -18.8308 -16.7915 -16.7915 -16.7912 -16.7912 -16.7084 -16.7084 -16.7072 -16.7072 2.9151 2.9151 2.9165 2.9165 5.3920 5.3920 5.4118 5.4118 8.1194 8.1194 8.1475 8.1475 8.7607 8.7607 8.7836 8.7836 10.3866 10.3866 10.4471 10.4471 11.1218 11.1218 11.1650 11.1650 11.4243 11.4243 11.4724 11.4724 15.7803 15.7803 15.7935 15.7935 16.3364 16.3364 16.3627 16.3627 k = 0.3556 0.5000-0.0000 ( 3654 PWs) bands (ev): -41.1827 -41.1827 -41.1827 -41.1827 -18.8324 -18.8324 -18.8317 -18.8317 -16.7930 -16.7930 -16.7927 -16.7927 -16.7090 -16.7090 -16.7080 -16.7080 2.9310 2.9310 2.9323 2.9323 5.4626 5.4626 5.4824 5.4824 8.1130 8.1130 8.1407 8.1407 8.6381 8.6381 8.6608 8.6608 10.3562 10.3562 10.4146 10.4146 11.1039 11.1039 11.1469 11.1469 11.4403 11.4403 11.4886 11.4886 15.8144 15.8144 15.8287 15.8287 16.3454 16.3454 16.3705 16.3705 k = 0.3667 0.5000-0.0000 ( 3650 PWs) bands (ev): -41.1824 -41.1824 -41.1824 -41.1824 -18.8333 -18.8333 -18.8326 -18.8326 -16.7945 -16.7945 -16.7942 -16.7942 -16.7096 -16.7096 -16.7086 -16.7086 2.9462 2.9462 2.9474 2.9474 5.5340 5.5340 5.5538 5.5538 8.1064 8.1064 8.1336 8.1336 8.5183 8.5183 8.5410 8.5410 10.3273 10.3273 10.3832 10.3832 11.0843 11.0843 11.1248 11.1248 11.4623 11.4623 11.5085 11.5085 15.8493 15.8493 15.8643 15.8643 16.3547 16.3547 16.3791 16.3791 k = 0.3778 0.5000-0.0000 ( 3656 PWs) bands (ev): -41.1822 -41.1822 -41.1822 -41.1822 -18.8341 -18.8341 -18.8335 -18.8335 -16.7959 -16.7959 -16.7957 -16.7957 -16.7100 -16.7100 -16.7091 -16.7091 2.9605 2.9605 2.9617 2.9617 5.6060 5.6060 5.6256 5.6256 8.0998 8.0998 8.1263 8.1263 8.4017 8.4017 8.4244 8.4244 10.3001 10.3001 10.3531 10.3531 11.0641 11.0641 11.1011 11.1011 11.4877 11.4877 11.5305 11.5305 15.8843 15.8843 15.8996 15.8996 16.3648 16.3648 16.3885 16.3885 k = 0.3889 0.5000-0.0000 ( 3660 PWs) bands (ev): -41.1820 -41.1820 -41.1820 -41.1820 -18.8348 -18.8348 -18.8342 -18.8342 -16.7973 -16.7973 -16.7972 -16.7972 -16.7103 -16.7103 -16.7095 -16.7095 2.9740 2.9740 2.9751 2.9751 5.6781 5.6781 5.6974 5.6974 8.0931 8.0931 8.1190 8.1190 8.2889 8.2889 8.3117 8.3117 10.2749 10.2749 10.3245 10.3245 11.0441 11.0441 11.0773 11.0773 11.5145 11.5145 11.5536 11.5536 15.9187 15.9187 15.9340 15.9340 16.3757 16.3757 16.3989 16.3989 k = 0.4000 0.5000-0.0000 ( 3664 PWs) bands (ev): -41.1819 -41.1819 -41.1818 -41.1818 -18.8355 -18.8355 -18.8350 -18.8350 -16.7987 -16.7987 -16.7985 -16.7985 -16.7106 -16.7106 -16.7099 -16.7099 2.9864 2.9864 2.9874 2.9874 5.7498 5.7498 5.7687 5.7687 8.0856 8.0856 8.1115 8.1115 8.1807 8.1807 8.2045 8.2045 10.2517 10.2517 10.2975 10.2975 11.0250 11.0250 11.0543 11.0543 11.5416 11.5416 11.5766 11.5766 15.9519 15.9519 15.9665 15.9665 16.3877 16.3877 16.4105 16.4105 k = 0.4111 0.5000-0.0000 ( 3668 PWs) bands (ev): -41.1817 -41.1817 -41.1817 -41.1817 -18.8361 -18.8361 -18.8357 -18.8357 -16.7999 -16.7999 -16.7998 -16.7998 -16.7108 -16.7108 -16.7101 -16.7101 2.9977 2.9977 2.9987 2.9987 5.8205 5.8205 5.8388 5.8388 8.0677 8.0677 8.0748 8.0748 8.1069 8.1069 8.1130 8.1130 10.2308 10.2308 10.2725 10.2725 11.0073 11.0073 11.0328 11.0328 11.5680 11.5680 11.5989 11.5989 15.9830 15.9830 15.9967 15.9967 16.4010 16.4010 16.4232 16.4232 k = 0.4222 0.5000-0.0000 ( 3668 PWs) bands (ev): -41.1815 -41.1815 -41.1815 -41.1815 -18.8367 -18.8367 -18.8363 -18.8363 -16.8010 -16.8010 -16.8010 -16.8010 -16.7109 -16.7109 -16.7104 -16.7104 3.0080 3.0080 3.0088 3.0088 5.8893 5.8893 5.9067 5.9067 7.9784 7.9784 7.9920 7.9920 8.0856 8.0856 8.0992 8.0992 10.2123 10.2123 10.2495 10.2495 10.9913 10.9913 11.0132 11.0132 11.5929 11.5929 11.6198 11.6198 16.0115 16.0115 16.0237 16.0237 16.4155 16.4155 16.4370 16.4370 k = 0.4333 0.5000-0.0000 ( 3676 PWs) bands (ev): -41.1814 -41.1814 -41.1814 -41.1814 -18.8372 -18.8372 -18.8368 -18.8368 -16.8021 -16.8021 -16.8020 -16.8020 -16.7110 -16.7110 -16.7106 -16.7106 3.0169 3.0169 3.0177 3.0177 5.9551 5.9551 5.9714 5.9714 7.8882 7.8882 7.9031 7.9031 8.0790 8.0790 8.0930 8.0930 10.1963 10.1963 10.2288 10.2288 10.9772 10.9772 10.9956 10.9956 11.6159 11.6159 11.6388 11.6388 16.0366 16.0366 16.0472 16.0472 16.4309 16.4309 16.4513 16.4513 k = 0.4444 0.5000-0.0000 ( 3676 PWs) bands (ev): -41.1813 -41.1813 -41.1813 -41.1813 -18.8376 -18.8376 -18.8373 -18.8373 -16.8029 -16.8029 -16.8029 -16.8029 -16.7111 -16.7111 -16.7107 -16.7107 3.0247 3.0247 3.0253 3.0253 6.0165 6.0165 6.0313 6.0313 7.8065 7.8065 7.8206 7.8206 8.0749 8.0749 8.0874 8.0874 10.1830 10.1830 10.2105 10.2105 10.9653 10.9653 10.9803 10.9803 11.6363 11.6363 11.6553 11.6553 16.0579 16.0579 16.0668 16.0668 16.4467 16.4467 16.4654 16.4654 k = 0.4556 0.5000-0.0000 ( 3680 PWs) bands (ev): -41.1812 -41.1812 -41.1812 -41.1812 -18.8379 -18.8379 -18.8377 -18.8377 -16.8037 -16.8037 -16.8036 -16.8036 -16.7111 -16.7111 -16.7108 -16.7108 3.0311 3.0311 3.0316 3.0316 6.0719 6.0719 6.0846 6.0846 7.7354 7.7354 7.7477 7.7477 8.0721 8.0721 8.0824 8.0824 10.1725 10.1725 10.1948 10.1948 10.9556 10.9556 10.9675 10.9675 11.6539 11.6539 11.6690 11.6690 16.0754 16.0754 16.0825 16.0825 16.4623 16.4623 16.4785 16.4785 k = 0.4667 0.5000-0.0000 ( 3684 PWs) bands (ev): -41.1812 -41.1812 -41.1812 -41.1812 -18.8382 -18.8382 -18.8380 -18.8380 -16.8042 -16.8042 -16.8042 -16.8042 -16.7112 -16.7112 -16.7109 -16.7109 3.0361 3.0361 3.0365 3.0365 6.1190 6.1190 6.1292 6.1292 7.6768 7.6768 7.6869 7.6869 8.0703 8.0703 8.0782 8.0782 10.1650 10.1650 10.1818 10.1818 10.9482 10.9482 10.9571 10.9571 11.6683 11.6683 11.6796 11.6796 16.0890 16.0890 16.0943 16.0943 16.4765 16.4765 16.4896 16.4896 k = 0.4778 0.5000-0.0000 ( 3684 PWs) bands (ev): -41.1811 -41.1811 -41.1811 -41.1811 -18.8384 -18.8384 -18.8382 -18.8382 -16.8047 -16.8047 -16.8046 -16.8046 -16.7112 -16.7112 -16.7110 -16.7110 3.0398 3.0398 3.0400 3.0400 6.1556 6.1556 6.1628 6.1628 7.6333 7.6333 7.6404 7.6404 8.0694 8.0694 8.0748 8.0748 10.1603 10.1603 10.1716 10.1716 10.9434 10.9434 10.9492 10.9492 11.6793 11.6793 11.6868 11.6868 16.0988 16.0988 16.1023 16.1023 16.4884 16.4884 16.4976 16.4976 k = 0.4889 0.5000-0.0000 ( 3688 PWs) bands (ev): -41.1811 -41.1811 -41.1811 -41.1811 -18.8385 -18.8385 -18.8384 -18.8384 -16.8049 -16.8049 -16.8049 -16.8049 -16.7111 -16.7111 -16.7111 -16.7111 3.0420 3.0420 3.0421 3.0421 6.1795 6.1795 6.1833 6.1833 7.6069 7.6069 7.6106 7.6106 8.0694 8.0694 8.0721 8.0721 10.1586 10.1586 10.1643 10.1643 10.9410 10.9410 10.9439 10.9439 11.6867 11.6867 11.6904 11.6904 16.1050 16.1050 16.1067 16.1067 16.4970 16.4970 16.5018 16.5018 k = 0.5000 0.5000-0.0000 ( 3684 PWs) bands (ev): -41.1811 -41.1811 -41.1811 -41.1811 -18.8385 -18.8385 -18.8385 -18.8385 -16.8050 -16.8050 -16.8050 -16.8050 -16.7111 -16.7111 -16.7111 -16.7111 3.0428 3.0428 3.0428 3.0428 6.1890 6.1890 6.1890 6.1890 7.5991 7.5991 7.5991 7.5991 8.0703 8.0703 8.0703 8.0703 10.1600 10.1600 10.1600 10.1600 10.9412 10.9412 10.9412 10.9412 11.6904 11.6904 11.6904 11.6904 16.1076 16.1076 16.1076 16.1076 16.5016 16.5016 16.5016 16.5016 k = 0.5000 0.5000-0.0000 ( 3684 PWs) bands (ev): -41.1811 -41.1811 -41.1811 -41.1811 -18.8385 -18.8385 -18.8385 -18.8385 -16.8050 -16.8050 -16.8050 -16.8050 -16.7111 -16.7111 -16.7111 -16.7111 3.0428 3.0428 3.0428 3.0428 6.1890 6.1890 6.1890 6.1890 7.5991 7.5991 7.5991 7.5991 8.0703 8.0703 8.0703 8.0703 10.1600 10.1600 10.1600 10.1600 10.9412 10.9412 10.9412 10.9412 11.6904 11.6904 11.6904 11.6904 16.1076 16.1076 16.1076 16.1076 16.5016 16.5016 16.5016 16.5016 k = 0.4922 0.4922-0.0000 ( 3686 PWs) bands (ev): -41.1811 -41.1811 -41.1811 -41.1811 -18.8385 -18.8385 -18.8384 -18.8384 -16.8049 -16.8049 -16.8049 -16.8049 -16.7111 -16.7111 -16.7111 -16.7111 3.0406 3.0406 3.0435 3.0435 6.1726 6.1726 6.1905 6.1905 7.5996 7.5996 7.6175 7.6175 8.0693 8.0693 8.0722 8.0722 10.1574 10.1574 10.1655 10.1655 10.9410 10.9410 10.9439 10.9439 11.6865 11.6865 11.6907 11.6907 16.1027 16.1027 16.1090 16.1090 16.4968 16.4968 16.5020 16.5020 k = 0.4844 0.4844-0.0000 ( 3682 PWs) bands (ev): -41.1811 -41.1811 -41.1811 -41.1811 -18.8384 -18.8384 -18.8382 -18.8382 -16.8047 -16.8047 -16.8046 -16.8046 -16.7112 -16.7112 -16.7110 -16.7110 3.0340 3.0340 3.0458 3.0458 6.1264 6.1264 6.1943 6.1943 7.6016 7.6016 7.6697 7.6697 8.0688 8.0688 8.0754 8.0754 10.1529 10.1529 10.1788 10.1788 10.9432 10.9432 10.9492 10.9492 11.6779 11.6779 11.6885 11.6885 16.0886 16.0886 16.1130 16.1130 16.4865 16.4865 16.4992 16.4992 k = 0.4766 0.4766-0.0000 ( 3680 PWs) bands (ev): -41.1812 -41.1812 -41.1811 -41.1811 -18.8382 -18.8382 -18.8380 -18.8380 -16.8042 -16.8042 -16.8042 -16.8042 -16.7112 -16.7112 -16.7109 -16.7109 3.0231 3.0231 3.0496 3.0496 6.0557 6.0557 6.2007 6.2007 7.6050 7.6050 7.7502 7.7502 8.0686 8.0686 8.0803 8.0803 10.1454 10.1454 10.2003 10.2003 10.9478 10.9478 10.9571 10.9571 11.6644 11.6644 11.6845 11.6845 16.0656 16.0656 16.1196 16.1196 16.4701 16.4701 16.4939 16.4939 k = 0.4688 0.4687-0.0000 ( 3684 PWs) bands (ev): -41.1813 -41.1813 -41.1812 -41.1812 -18.8379 -18.8379 -18.8377 -18.8377 -16.8037 -16.8037 -16.8036 -16.8036 -16.7112 -16.7112 -16.7108 -16.7108 3.0078 3.0078 3.0549 3.0549 5.9670 5.9670 6.2096 6.2096 7.6097 7.6097 7.8525 7.8525 8.0691 8.0691 8.0871 8.0871 10.1347 10.1347 10.2297 10.2297 10.9546 10.9546 10.9675 10.9675 11.6468 11.6468 11.6788 11.6788 16.0346 16.0346 16.1287 16.1287 16.4479 16.4479 16.4862 16.4862 k = 0.4609 0.4609-0.0000 ( 3676 PWs) bands (ev): -41.1814 -41.1814 -41.1812 -41.1812 -18.8376 -18.8376 -18.8373 -18.8373 -16.8029 -16.8029 -16.8029 -16.8029 -16.7112 -16.7112 -16.7106 -16.7106 2.9883 2.9883 3.0616 3.0616 5.8658 5.8658 6.2210 6.2210 7.6158 7.6158 7.9703 7.9703 8.0712 8.0712 8.0959 8.0959 10.1206 10.1206 10.2662 10.2662 10.9635 10.9635 10.9803 10.9803 11.6260 11.6260 11.6715 11.6715 15.9964 15.9964 16.1403 16.1403 16.4201 16.4201 16.4762 16.4762 k = 0.4531 0.4531-0.0000 ( 3672 PWs) bands (ev): -41.1815 -41.1815 -41.1813 -41.1813 -18.8372 -18.8372 -18.8368 -18.8368 -16.8020 -16.8020 -16.8019 -16.8019 -16.7113 -16.7113 -16.7105 -16.7105 2.9646 2.9646 3.0697 3.0697 5.7564 5.7564 6.2350 6.2350 7.6233 7.6233 8.0669 8.0669 8.0980 8.0980 8.1166 8.1166 10.1028 10.1028 10.3092 10.3092 10.9745 10.9745 10.9949 10.9949 11.6033 11.6033 11.6627 11.6627 15.9519 15.9519 16.1540 16.1540 16.3873 16.3873 16.4638 16.4638 k = 0.4453 0.4453-0.0000 ( 3668 PWs) bands (ev): -41.1816 -41.1816 -41.1815 -41.1815 -18.8367 -18.8367 -18.8362 -18.8362 -16.8009 -16.8009 -16.8008 -16.8008 -16.7113 -16.7113 -16.7103 -16.7103 2.9368 2.9368 3.0792 3.0792 5.6416 5.6416 6.2516 6.2516 7.6322 7.6322 8.0750 8.0750 8.1168 8.1168 8.2466 8.2466 10.0809 10.0809 10.3576 10.3576 10.9876 10.9876 11.0112 11.0112 11.5800 11.5800 11.6527 11.6527 15.9020 15.9020 16.1697 16.1697 16.3505 16.3505 16.4492 16.4492 k = 0.4375 0.4375-0.0000 ( 3664 PWs) bands (ev): -41.1817 -41.1817 -41.1816 -41.1816 -18.8362 -18.8362 -18.8356 -18.8356 -16.7997 -16.7997 -16.7996 -16.7996 -16.7113 -16.7113 -16.7100 -16.7100 2.9050 2.9050 3.0899 3.0899 5.5236 5.5236 6.2706 6.2706 7.6426 7.6426 8.0819 8.0819 8.1312 8.1312 8.3935 8.3935 10.0546 10.0546 10.4105 10.4105 11.0028 11.0028 11.0285 11.0285 11.5579 11.5579 11.6415 11.6415 15.8477 15.8477 16.1867 16.1867 16.3111 16.3111 16.4324 16.4324 k = 0.4297 0.4297-0.0000 ( 3660 PWs) bands (ev): -41.1819 -41.1819 -41.1817 -41.1817 -18.8356 -18.8356 -18.8348 -18.8348 -16.7983 -16.7983 -16.7982 -16.7982 -16.7113 -16.7113 -16.7098 -16.7098 2.8693 2.8693 3.1018 3.1018 5.4038 5.4038 6.2922 6.2922 7.6545 7.6545 8.0912 8.0912 8.1472 8.1472 8.5465 8.5465 10.0234 10.0234 10.4668 10.4668 11.0199 11.0199 11.0462 11.0462 11.5386 11.5386 11.6294 11.6294 15.7896 15.7896 16.2029 16.2029 16.2720 16.2720 16.4133 16.4133 k = 0.4219 0.4219-0.0000 ( 3664 PWs) bands (ev): -41.1821 -41.1821 -41.1820 -41.1820 -18.8349 -18.8349 -18.8340 -18.8340 -16.7967 -16.7967 -16.7966 -16.7966 -16.7114 -16.7114 -16.7095 -16.7095 2.8298 2.8298 3.1148 3.1148 5.2833 5.2833 6.3163 6.3163 7.6680 7.6680 8.1036 8.1036 8.1650 8.1650 8.7041 8.7041 9.9872 9.9872 10.5255 10.5255 11.0389 11.0389 11.0637 11.0637 11.5237 11.5237 11.6166 11.6166 15.7284 15.7284 16.2028 16.2028 16.2495 16.2495 16.3921 16.3921 k = 0.4141 0.4141-0.0000 ( 3658 PWs) bands (ev): -41.1823 -41.1823 -41.1823 -41.1823 -18.8341 -18.8341 -18.8331 -18.8331 -16.7950 -16.7950 -16.7949 -16.7949 -16.7114 -16.7114 -16.7092 -16.7092 2.7866 2.7866 3.1288 3.1288 5.1628 5.1628 6.3429 6.3429 7.6830 7.6830 8.1193 8.1193 8.1846 8.1846 8.8653 8.8653 9.9458 9.9458 10.5855 10.5855 11.0597 11.0597 11.0805 11.0805 11.5142 11.5142 11.6039 11.6039 15.6647 15.6647 16.1693 16.1693 16.2616 16.2616 16.3689 16.3689 k = 0.4062 0.4062-0.0000 ( 3662 PWs) bands (ev): -41.1826 -41.1826 -41.1825 -41.1825 -18.8333 -18.8333 -18.8322 -18.8322 -16.7932 -16.7932 -16.7930 -16.7930 -16.7114 -16.7114 -16.7088 -16.7088 2.7401 2.7401 3.1437 3.1437 5.0429 5.0429 6.3720 6.3720 7.6997 7.6997 8.1388 8.1388 8.2062 8.2062 9.0295 9.0295 9.8990 9.8990 10.6458 10.6458 11.0817 11.0817 11.0967 11.0967 11.5103 11.5103 11.5923 11.5923 15.5990 15.5990 16.1286 16.1286 16.2825 16.2825 16.3443 16.3443 k = 0.3984 0.3984-0.0000 ( 3654 PWs) bands (ev): -41.1829 -41.1829 -41.1827 -41.1827 -18.8324 -18.8324 -18.8311 -18.8311 -16.7912 -16.7912 -16.7909 -16.7909 -16.7115 -16.7115 -16.7084 -16.7084 2.6902 2.6902 3.1594 3.1594 4.9240 4.9240 6.4035 6.4035 7.7181 7.7181 8.1622 8.1622 8.2296 8.2296 9.1960 9.1960 9.8471 9.8471 10.7054 10.7054 11.1027 11.1027 11.1145 11.1145 11.5102 11.5102 11.5846 11.5846 15.5315 15.5315 16.0887 16.0887 16.3001 16.3001 16.3233 16.3233 k = 0.3906 0.3906-0.0000 ( 3654 PWs) bands (ev): -41.1832 -41.1832 -41.1829 -41.1829 -18.8314 -18.8314 -18.8300 -18.8300 -16.7890 -16.7890 -16.7888 -16.7888 -16.7115 -16.7115 -16.7080 -16.7080 2.6372 2.6372 3.1757 3.1757 4.8065 4.8065 6.4376 6.4376 7.7382 7.7382 8.1896 8.1896 8.2550 8.2550 9.3642 9.3642 9.7903 9.7903 10.7634 10.7634 11.1184 11.1184 11.1384 11.1384 11.5090 11.5090 11.5859 11.5859 15.4628 15.4628 16.0511 16.0511 16.2829 16.2829 16.3353 16.3353 k = 0.3828 0.3828-0.0000 ( 3646 PWs) bands (ev): -41.1834 -41.1834 -41.1832 -41.1832 -18.8304 -18.8304 -18.8288 -18.8288 -16.7867 -16.7867 -16.7864 -16.7864 -16.7115 -16.7115 -16.7076 -16.7076 2.5813 2.5813 3.1924 3.1924 4.6906 4.6906 6.4740 6.4740 7.7601 7.7601 8.2212 8.2212 8.2824 8.2824 9.5332 9.5332 9.7293 9.7293 10.8189 10.8189 11.1315 11.1315 11.1663 11.1663 11.5019 11.5019 11.6005 11.6005 15.3929 15.3929 16.0168 16.0168 16.2530 16.2530 16.3562 16.3562 k = 0.3750 0.3750-0.0000 ( 3660 PWs) bands (ev): -41.1839 -41.1839 -41.1837 -41.1837 -18.8294 -18.8294 -18.8276 -18.8276 -16.7843 -16.7843 -16.7840 -16.7840 -16.7116 -16.7116 -16.7071 -16.7071 2.5228 2.5228 3.2095 3.2095 4.5765 4.5765 6.5130 6.5130 7.7840 7.7840 8.2568 8.2568 8.3120 8.3120 9.6602 9.6602 9.7069 9.7069 10.8715 10.8715 11.1444 11.1444 11.1964 11.1964 11.4895 11.4895 11.6273 11.6273 15.3222 15.3222 15.9855 15.9855 16.2206 16.2206 16.3655 16.3655 k = 0.3672 0.3672-0.0000 ( 3668 PWs) bands (ev): -41.1843 -41.1843 -41.1841 -41.1841 -18.8282 -18.8282 -18.8263 -18.8263 -16.7818 -16.7818 -16.7814 -16.7814 -16.7116 -16.7116 -16.7066 -16.7066 2.4617 2.4617 3.2268 3.2268 4.4644 4.4644 6.5543 6.5543 7.8097 7.8097 8.2961 8.2961 8.3441 8.3441 9.5945 9.5945 9.8734 9.8734 10.9210 10.9210 11.1582 11.1582 11.2284 11.2284 11.4742 11.4742 11.6631 11.6631 15.2509 15.2509 15.9567 15.9567 16.1864 16.1864 16.3443 16.3443 k = 0.3594 0.3594-0.0000 ( 3664 PWs) bands (ev): -41.1846 -41.1846 -41.1845 -41.1845 -18.8271 -18.8271 -18.8249 -18.8249 -16.7791 -16.7791 -16.7787 -16.7787 -16.7116 -16.7116 -16.7061 -16.7061 2.3983 2.3983 3.2440 3.2440 4.3544 4.3544 6.5981 6.5981 7.8375 7.8375 8.3383 8.3383 8.3795 8.3795 9.5241 9.5241 10.0406 10.0406 10.9676 10.9676 11.1736 11.1736 11.2619 11.2619 11.4578 11.4578 11.7057 11.7057 15.1790 15.1790 15.9288 15.9288 16.1504 16.1504 16.3154 16.3154 k = 0.3516 0.3516-0.0000 ( 3664 PWs) bands (ev): -41.1851 -41.1851 -41.1848 -41.1848 -18.8258 -18.8258 -18.8235 -18.8235 -16.7763 -16.7763 -16.7758 -16.7758 -16.7116 -16.7116 -16.7056 -16.7056 2.3329 2.3329 3.2611 3.2611 4.2466 4.2466 6.6442 6.6442 7.8673 7.8673 8.3817 8.3817 8.4196 8.4196 9.4518 9.4518 10.2043 10.2043 11.0123 11.0123 11.1911 11.1911 11.2965 11.2965 11.4413 11.4413 11.7538 11.7538 15.1066 15.1066 15.9001 15.9001 16.1127 16.1127 16.2968 16.2968 k = 0.3438 0.3437-0.0000 ( 3662 PWs) bands (ev): -41.1856 -41.1856 -41.1851 -41.1851 -18.8245 -18.8245 -18.8220 -18.8220 -16.7734 -16.7734 -16.7729 -16.7729 -16.7116 -16.7116 -16.7050 -16.7050 2.2657 2.2657 3.2778 3.2778 4.1411 4.1411 6.6927 6.6927 7.8993 7.8993 8.4245 8.4245 8.4662 8.4662 9.3787 9.3787 10.3610 10.3610 11.0574 11.0574 11.2110 11.2110 11.3307 11.3307 11.4265 11.4265 11.8064 11.8064 15.0340 15.0340 15.8693 15.8693 16.0733 16.0733 16.2935 16.2935 k = 0.3359 0.3359-0.0000 ( 3662 PWs) bands (ev): -41.1860 -41.1860 -41.1855 -41.1855 -18.8232 -18.8232 -18.8205 -18.8205 -16.7703 -16.7703 -16.7698 -16.7698 -16.7116 -16.7116 -16.7044 -16.7044 2.1968 2.1968 3.2940 3.2940 4.0380 4.0380 6.7435 6.7435 7.9335 7.9335 8.4660 8.4660 8.5196 8.5196 9.3056 9.3056 10.5058 10.5058 11.1068 11.1068 11.2344 11.2344 11.3587 11.3587 11.4197 11.4197 11.8629 11.8629 14.9610 14.9610 15.8360 15.8360 16.0323 16.0323 16.3069 16.3069 k = 0.3281 0.3281-0.0000 ( 3666 PWs) bands (ev): -41.1865 -41.1865 -41.1859 -41.1859 -18.8218 -18.8218 -18.8189 -18.8189 -16.7672 -16.7672 -16.7666 -16.7666 -16.7116 -16.7116 -16.7038 -16.7038 2.1265 2.1265 3.3094 3.3094 3.9374 3.9374 6.7967 6.7967 7.9700 7.9700 8.5074 8.5074 8.5785 8.5785 9.2331 9.2331 10.6307 10.6307 11.1646 11.1646 11.2643 11.2643 11.3649 11.3649 11.4367 11.4367 11.9228 11.9228 14.8877 14.8877 15.8008 15.8008 15.9899 15.9899 16.3365 16.3365 k = 0.3203 0.3203-0.0000 ( 3666 PWs) bands (ev): -41.1869 -41.1869 -41.1864 -41.1864 -18.8204 -18.8204 -18.8172 -18.8172 -16.7640 -16.7640 -16.7634 -16.7634 -16.7116 -16.7116 -16.7032 -16.7032 2.0551 2.0551 3.3239 3.3239 3.8393 3.8393 6.8521 6.8521 8.0088 8.0088 8.5495 8.5495 8.6415 8.6415 9.1619 9.1619 10.7274 10.7274 11.2258 11.2258 11.3138 11.3138 11.3548 11.3548 11.4724 11.4724 11.9858 11.9858 14.8141 14.8141 15.7651 15.7651 15.9461 15.9461 16.3808 16.3808 k = 0.3125 0.3125-0.0000 ( 3658 PWs) bands (ev): -41.1873 -41.1873 -41.1868 -41.1868 -18.8190 -18.8190 -18.8155 -18.8155 -16.7607 -16.7607 -16.7600 -16.7600 -16.7116 -16.7116 -16.7025 -16.7025 1.9827 1.9827 3.3372 3.3372 3.7438 3.7438 6.9099 6.9099 8.0500 8.0500 8.5927 8.5927 8.7077 8.7077 9.0927 9.0927 10.7925 10.7925 11.2692 11.2692 11.3423 11.3423 11.4060 11.4060 11.5143 11.5143 12.0515 12.0515 14.7403 14.7403 15.7304 15.7304 15.9008 15.9008 16.4372 16.4372 k = 0.3047 0.3047-0.0000 ( 3652 PWs) bands (ev): -41.1877 -41.1877 -41.1872 -41.1872 -18.8175 -18.8175 -18.8138 -18.8138 -16.7573 -16.7573 -16.7565 -16.7565 -16.7115 -16.7115 -16.7018 -16.7018 1.9096 1.9096 3.3492 3.3492 3.6508 3.6508 6.9698 6.9698 8.0936 8.0936 8.6372 8.6372 8.7765 8.7765 9.0261 9.0261 10.8308 10.8308 11.2917 11.2917 11.3375 11.3375 11.5325 11.5325 11.5593 11.5593 12.1197 12.1197 14.6662 14.6662 15.6978 15.6978 15.8540 15.8540 16.5018 16.5018 k = 0.2969 0.2969-0.0000 ( 3648 PWs) bands (ev): -41.1881 -41.1881 -41.1876 -41.1876 -18.8160 -18.8160 -18.8120 -18.8120 -16.7538 -16.7538 -16.7530 -16.7530 -16.7115 -16.7115 -16.7011 -16.7011 1.8359 1.8359 3.3595 3.3595 3.5606 3.5606 7.0320 7.0320 8.1398 8.1398 8.6832 8.6832 8.8469 8.8469 8.9626 8.9626 10.8503 10.8503 11.2906 11.2906 11.3531 11.3531 11.6055 11.6055 11.6775 11.6775 12.1903 12.1903 14.5918 14.5918 15.6683 15.6683 15.8054 15.8054 16.5637 16.5637 k = 0.2891 0.2891-0.0000 ( 3650 PWs) bands (ev): -41.1886 -41.1886 -41.1881 -41.1881 -18.8144 -18.8144 -18.8103 -18.8103 -16.7502 -16.7502 -16.7494 -16.7494 -16.7114 -16.7114 -16.7004 -16.7004 1.7619 1.7619 3.3675 3.3675 3.4737 3.4737 7.0963 7.0963 8.1885 8.1885 8.7303 8.7303 8.9023 8.9023 8.9187 8.9187 10.8581 10.8581 11.2782 11.2782 11.3795 11.3795 11.6539 11.6539 11.8303 11.8303 12.2629 12.2629 14.5170 14.5170 15.6429 15.6429 15.7548 15.7548 16.5448 16.5448 k = 0.2812 0.2812-0.0000 ( 3646 PWs) bands (ev): -41.1890 -41.1890 -41.1886 -41.1886 -18.8129 -18.8129 -18.8084 -18.8084 -16.7466 -16.7466 -16.7457 -16.7457 -16.7114 -16.7114 -16.6997 -16.6997 1.6878 1.6878 3.3656 3.3656 3.3974 3.3974 7.1628 7.1628 8.2397 8.2397 8.7775 8.7775 8.8483 8.8483 8.9894 8.9894 10.8593 10.8593 11.2637 11.2637 11.4086 11.4086 11.7038 11.7038 11.9863 11.9863 12.3375 12.3375 14.4419 14.4419 15.6222 15.6222 15.7022 15.7022 16.4611 16.4611 k = 0.2734 0.2734-0.0000 ( 3650 PWs) bands (ev): -41.1896 -41.1896 -41.1891 -41.1891 -18.8113 -18.8113 -18.8066 -18.8066 -16.7430 -16.7430 -16.7420 -16.7420 -16.7113 -16.7113 -16.6989 -16.6989 1.6137 1.6137 3.3004 3.3004 3.3852 3.3852 7.2314 7.2314 8.2936 8.2936 8.7881 8.7881 8.8363 8.8363 9.0591 9.0591 10.8577 10.8577 11.2490 11.2490 11.4385 11.4385 11.7550 11.7550 12.1424 12.1424 12.4138 12.4138 14.3662 14.3662 15.6056 15.6056 15.6482 15.6482 16.3747 16.3747 k = 0.2656 0.2656-0.0000 ( 3640 PWs) bands (ev): -41.1900 -41.1900 -41.1895 -41.1895 -18.8097 -18.8097 -18.8047 -18.8047 -16.7393 -16.7393 -16.7382 -16.7382 -16.7112 -16.7112 -16.6981 -16.6981 1.5398 1.5398 3.2215 3.2215 3.3871 3.3871 7.3020 7.3020 8.3501 8.3501 8.7441 8.7441 8.8850 8.8850 9.1261 9.1261 10.8566 10.8566 11.2345 11.2345 11.4687 11.4687 11.8074 11.8074 12.2960 12.2960 12.4916 12.4916 14.2901 14.2901 15.5768 15.5768 15.6095 15.6095 16.2889 16.2889 k = 0.2578 0.2578-0.0000 ( 3646 PWs) bands (ev): -41.1905 -41.1905 -41.1901 -41.1901 -18.8081 -18.8081 -18.8029 -18.8029 -16.7356 -16.7356 -16.7344 -16.7344 -16.7111 -16.7111 -16.6974 -16.6974 1.4663 1.4663 3.1442 3.1442 3.3879 3.3879 7.3747 7.3747 8.4091 8.4091 8.7022 8.7022 8.9378 8.9378 9.1888 9.1888 10.8587 10.8587 11.2207 11.2207 11.4987 11.4987 11.8610 11.8610 12.4454 12.4454 12.5708 12.5708 14.2134 14.2134 15.5176 15.5176 15.6043 15.6043 16.2050 16.2050 k = 0.2500 0.2500-0.0000 ( 3650 PWs) bands (ev): -41.1911 -41.1911 -41.1905 -41.1905 -18.8065 -18.8065 -18.8010 -18.8010 -16.7318 -16.7318 -16.7306 -16.7306 -16.7109 -16.7109 -16.6966 -16.6966 1.3935 1.3935 3.0692 3.0692 3.3868 3.3868 7.4493 7.4493 8.4706 8.4706 8.6651 8.6651 8.9924 8.9924 9.2454 9.2454 10.8668 10.8668 11.2075 11.2075 11.5283 11.5283 11.9156 11.9156 12.5889 12.5889 12.6513 12.6513 14.1361 14.1361 15.4498 15.4498 15.6108 15.6108 16.1244 16.1244 k = 0.2422 0.2422-0.0000 ( 3646 PWs) bands (ev): -41.1916 -41.1916 -41.1910 -41.1910 -18.8049 -18.8049 -18.7991 -18.7991 -16.7280 -16.7280 -16.7268 -16.7268 -16.7107 -16.7107 -16.6958 -16.6958 1.3213 1.3213 2.9967 2.9967 3.3835 3.3835 7.5259 7.5259 8.5338 8.5338 8.6339 8.6339 9.0484 9.0484 9.2944 9.2944 10.8833 10.8833 11.1950 11.1950 11.5570 11.5570 11.9711 11.9711 12.7233 12.7233 12.7347 12.7347 14.0580 14.0580 15.3764 15.3764 15.6260 15.6260 16.0479 16.0479 k = 0.2344 0.2344-0.0000 ( 3646 PWs) bands (ev): -41.1921 -41.1921 -41.1915 -41.1915 -18.8033 -18.8033 -18.7972 -18.7972 -16.7243 -16.7243 -16.7231 -16.7231 -16.7105 -16.7105 -16.6950 -16.6950 1.2501 1.2501 2.9266 2.9266 3.3781 3.3781 7.6044 7.6044 8.5878 8.5878 8.6199 8.6199 9.1055 9.1055 9.3343 9.3343 10.9104 10.9104 11.1834 11.1834 11.5847 11.5847 12.0274 12.0274 12.8136 12.8136 12.8543 12.8543 13.9792 13.9792 15.2976 15.2976 15.6499 15.6499 15.9764 15.9764 k = 0.2266 0.2266-0.0000 ( 3640 PWs) bands (ev): -41.1925 -41.1925 -41.1919 -41.1919 -18.8016 -18.8016 -18.7954 -18.7954 -16.7206 -16.7206 -16.7193 -16.7193 -16.7101 -16.7101 -16.6941 -16.6941 1.1799 1.1799 2.8590 2.8590 3.3706 3.3706 7.6846 7.6846 8.5794 8.5794 8.6762 8.6762 9.1636 9.1636 9.3642 9.3642 10.9495 10.9495 11.1727 11.1727 11.6110 11.6110 12.0845 12.0845 12.8962 12.8962 12.9728 12.9728 13.8997 13.8997 15.2137 15.2137 15.6820 15.6820 15.9103 15.9103 k = 0.2188 0.2187-0.0000 ( 3636 PWs) bands (ev): -41.1930 -41.1930 -41.1923 -41.1923 -18.8000 -18.8000 -18.7935 -18.7935 -16.7170 -16.7170 -16.7157 -16.7157 -16.7095 -16.7095 -16.6933 -16.6933 1.1110 1.1110 2.7939 2.7939 3.3609 3.3609 7.7667 7.7667 8.5642 8.5642 8.7472 8.7472 9.2221 9.2221 9.3840 9.3840 11.0015 11.0015 11.1628 11.1628 11.6355 11.6355 12.1421 12.1421 12.9787 12.9787 13.0813 13.0813 13.8194 13.8194 15.1254 15.1254 15.7216 15.7216 15.8496 15.8496 k = 0.2109 0.2109-0.0000 ( 3644 PWs) bands (ev): -41.1935 -41.1935 -41.1930 -41.1930 -18.7985 -18.7985 -18.7916 -18.7916 -16.7140 -16.7140 -16.7122 -16.7122 -16.7082 -16.7082 -16.6925 -16.6925 1.0433 1.0433 2.7312 2.7312 3.3493 3.3493 7.8504 7.8504 8.5535 8.5535 8.8215 8.8215 9.2795 9.2795 9.3954 9.3954 11.0666 11.0666 11.1538 11.1538 11.6581 11.6581 12.2002 12.2002 13.0609 13.0609 13.1793 13.1793 13.7383 13.7383 15.0336 15.0336 15.7641 15.7641 15.7976 15.7976 k = 0.2031 0.2031-0.0000 ( 3650 PWs) bands (ev): -41.1940 -41.1940 -41.1935 -41.1935 -18.7969 -18.7969 -18.7898 -18.7898 -16.7123 -16.7123 -16.7087 -16.7087 -16.7058 -16.7058 -16.6916 -16.6916 0.9771 0.9771 2.6710 2.6710 3.3357 3.3357 7.9358 7.9358 8.5478 8.5478 8.8984 8.8984 9.3294 9.3294 9.4054 9.4054 11.1408 11.1408 11.1492 11.1492 11.6783 11.6783 12.2586 12.2586 13.1422 13.1422 13.2666 13.2666 13.6566 13.6566 14.9395 14.9395 15.7380 15.7380 15.8232 15.8232 k = 0.1953 0.1953-0.0000 ( 3646 PWs) bands (ev): -41.1945 -41.1945 -41.1939 -41.1939 -18.7953 -18.7953 -18.7880 -18.7880 -16.7114 -16.7114 -16.7050 -16.7050 -16.7027 -16.7027 -16.6908 -16.6908 0.9125 0.9125 2.6131 2.6131 3.3203 3.3203 8.0227 8.0227 8.5473 8.5473 8.9775 8.9775 9.3504 9.3504 9.4366 9.4366 11.1380 11.1380 11.2338 11.2338 11.6960 11.6960 12.3173 12.3173 13.2219 13.2219 13.3434 13.3434 13.5747 13.5747 14.8442 14.8442 15.6905 15.6905 15.8767 15.8767 k = 0.1875 0.1875-0.0000 ( 3646 PWs) bands (ev): -41.1949 -41.1949 -41.1944 -41.1944 -18.7938 -18.7938 -18.7862 -18.7862 -16.7110 -16.7110 -16.7014 -16.7014 -16.6993 -16.6993 -16.6899 -16.6899 0.8496 0.8496 2.5577 2.5577 3.3034 3.3034 8.1112 8.1112 8.5517 8.5517 9.0587 9.0587 9.3417 9.3417 9.4910 9.4910 11.1316 11.1316 11.3330 11.3330 11.7109 11.7109 12.3759 12.3759 13.2983 13.2983 13.4087 13.4087 13.4953 13.4953 14.7490 14.7490 15.6452 15.6452 15.9310 15.9310 k = 0.1797 0.1797-0.0000 ( 3638 PWs) bands (ev): -41.1953 -41.1953 -41.1947 -41.1947 -18.7923 -18.7923 -18.7844 -18.7844 -16.7106 -16.7106 -16.6979 -16.6979 -16.6960 -16.6960 -16.6889 -16.6889 0.7884 0.7884 2.5047 2.5047 3.2849 3.2849 8.2010 8.2010 8.5611 8.5611 9.1413 9.1413 9.3211 9.3211 9.5525 9.5525 11.1260 11.1260 11.4409 11.4409 11.7227 11.7227 12.4345 12.4345 13.3580 13.3580 13.4163 13.4163 13.4782 13.4782 14.6555 14.6555 15.6020 15.6020 15.9827 15.9827 k = 0.1719 0.1719-0.0000 ( 3638 PWs) bands (ev): -41.1958 -41.1958 -41.1951 -41.1951 -18.7908 -18.7908 -18.7827 -18.7827 -16.7103 -16.7103 -16.6944 -16.6944 -16.6928 -16.6928 -16.6877 -16.6877 0.7292 0.7292 2.4540 2.4540 3.2653 3.2653 8.2922 8.2922 8.5753 8.5753 9.2232 9.2232 9.2966 9.2966 9.6164 9.6164 11.1212 11.1212 11.5559 11.5559 11.7313 11.7313 12.4928 12.4928 13.3081 13.3081 13.4547 13.4547 13.5278 13.5278 14.5651 14.5651 15.5603 15.5603 16.0294 16.0294 k = 0.1641 0.1641-0.0000 ( 3642 PWs) bands (ev): -41.1963 -41.1963 -41.1956 -41.1956 -18.7894 -18.7894 -18.7811 -18.7811 -16.7101 -16.7101 -16.6910 -16.6910 -16.6902 -16.6902 -16.6860 -16.6860 0.6720 0.6720 2.4057 2.4057 3.2446 3.2446 8.3846 8.3846 8.5939 8.5939 9.2536 9.2536 9.3208 9.3208 9.6814 9.6814 11.1172 11.1172 11.6765 11.6765 11.7367 11.7367 12.5507 12.5507 13.2250 13.2250 13.5155 13.5155 13.5758 13.5758 14.4798 14.4798 15.5196 15.5196 16.0690 16.0690 k = 0.1562 0.1562-0.0000 ( 3642 PWs) bands (ev): -41.1967 -41.1967 -41.1961 -41.1961 -18.7880 -18.7880 -18.7794 -18.7794 -16.7099 -16.7099 -16.6887 -16.6887 -16.6874 -16.6874 -16.6836 -16.6836 0.6169 0.6169 2.3598 2.3598 3.2231 3.2231 8.4781 8.4781 8.6169 8.6169 9.2228 9.2228 9.4046 9.4046 9.7468 9.7468 11.1139 11.1139 11.7380 11.7380 11.8024 11.8024 12.6079 12.6079 13.1389 13.1389 13.5675 13.5675 13.6222 13.6222 14.4022 14.4022 15.4795 15.4795 16.1002 16.1002 k = 0.1484 0.1484-0.0000 ( 3648 PWs) bands (ev): -41.1972 -41.1972 -41.1965 -41.1965 -18.7866 -18.7866 -18.7779 -18.7779 -16.7097 -16.7097 -16.6875 -16.6875 -16.6842 -16.6842 -16.6807 -16.6807 0.5639 0.5639 2.3161 2.3161 3.2010 3.2010 8.5726 8.5726 8.6439 8.6439 9.1874 9.1874 9.4922 9.4922 9.8123 9.8123 11.1113 11.1113 11.7366 11.7366 11.9305 11.9305 12.6643 12.6643 13.0518 13.0518 13.6080 13.6080 13.6659 13.6659 14.3360 14.3360 15.4393 15.4393 16.1223 16.1223 k = 0.1406 0.1406-0.0000 ( 3649 PWs) bands (ev): -41.1976 -41.1976 -41.1969 -41.1969 -18.7853 -18.7853 -18.7763 -18.7763 -16.7094 -16.7094 -16.6865 -16.6865 -16.6810 -16.6810 -16.6776 -16.6776 0.5132 0.5132 2.2748 2.2748 3.1785 3.1785 8.6664 8.6664 8.6764 8.6764 9.1506 9.1506 9.5805 9.5805 9.8776 9.8776 11.1093 11.1093 11.7319 11.7319 12.0605 12.0605 12.7194 12.7194 12.9643 12.9643 13.6379 13.6379 13.7022 13.7022 14.2858 14.2858 15.3989 15.3989 16.1351 16.1351 k = 0.1328 0.1328-0.0000 ( 3651 PWs) bands (ev): -41.1980 -41.1980 -41.1973 -41.1973 -18.7841 -18.7841 -18.7749 -18.7749 -16.7092 -16.7092 -16.6857 -16.6857 -16.6780 -16.6780 -16.6746 -16.6746 0.4649 0.4649 2.2358 2.2358 3.1558 3.1558 8.7084 8.7084 8.7649 8.7649 9.1134 9.1134 9.6687 9.6687 9.9422 9.9422 11.1080 11.1080 11.7241 11.7241 12.1909 12.1909 12.7723 12.7723 12.8778 12.8778 13.6555 13.6555 13.7289 13.7289 14.2568 14.2568 15.3576 15.3576 16.1383 16.1383 k = 0.1250 0.1250-0.0000 ( 3655 PWs) bands (ev): -41.1985 -41.1985 -41.1976 -41.1976 -18.7828 -18.7828 -18.7735 -18.7735 -16.7090 -16.7090 -16.6850 -16.6850 -16.6750 -16.6750 -16.6717 -16.6717 0.4189 0.4189 2.1991 2.1991 3.1332 3.1332 8.7458 8.7458 8.8616 8.8616 9.0766 9.0766 9.7561 9.7561 10.0057 10.0057 11.1072 11.1072 11.7139 11.7139 12.3200 12.3200 12.7801 12.7801 12.8350 12.8350 13.6542 13.6542 13.7516 13.7516 14.2512 14.2512 15.3155 15.3155 16.1316 16.1316 k = 0.1172 0.1172-0.0000 ( 3653 PWs) bands (ev): -41.1988 -41.1988 -41.1979 -41.1979 -18.7817 -18.7817 -18.7721 -18.7721 -16.7089 -16.7089 -16.6843 -16.6843 -16.6722 -16.6722 -16.6689 -16.6689 0.3754 0.3754 2.1647 2.1647 3.1109 3.1109 8.7859 8.7859 8.9588 8.9588 9.0408 9.0408 9.8418 9.8418 10.0677 10.0677 11.1069 11.1069 11.7018 11.7018 12.4462 12.4462 12.6970 12.6970 12.8823 12.8823 13.6303 13.6303 13.7777 13.7777 14.2662 14.2662 15.2724 15.2724 16.1157 16.1157 k = 0.1094 0.1094-0.0000 ( 3649 PWs) bands (ev): -41.1991 -41.1991 -41.1982 -41.1982 -18.7806 -18.7806 -18.7709 -18.7709 -16.7087 -16.7087 -16.6837 -16.6837 -16.6695 -16.6695 -16.6662 -16.6662 0.3344 0.3344 2.1325 2.1325 3.0890 3.0890 8.8281 8.8281 9.0056 9.0056 9.0572 9.0572 9.9249 9.9249 10.1277 10.1277 11.1070 11.1070 11.6886 11.6886 12.5666 12.5666 12.6115 12.6115 12.9321 12.9321 13.5891 13.5891 13.8095 13.8095 14.2955 14.2955 15.2282 15.2282 16.0903 16.0903 k = 0.1016 0.1016-0.0000 ( 3643 PWs) bands (ev): -41.1993 -41.1993 -41.1985 -41.1985 -18.7796 -18.7796 -18.7697 -18.7697 -16.7085 -16.7085 -16.6831 -16.6831 -16.6670 -16.6670 -16.6636 -16.6636 0.2961 0.2961 2.1026 2.1026 3.0678 3.0678 8.8714 8.8714 8.9739 8.9739 9.1548 9.1548 10.0043 10.0043 10.1851 10.1851 11.1075 11.1075 11.6754 11.6754 12.5242 12.5242 12.6823 12.6823 12.9810 12.9810 13.5375 13.5375 13.8473 13.8473 14.3331 14.3331 15.1833 15.1833 15.9914 15.9914 k = 0.0938 0.0937-0.0000 ( 3645 PWs) bands (ev): -41.1996 -41.1996 -41.1988 -41.1988 -18.7786 -18.7786 -18.7685 -18.7685 -16.7083 -16.7083 -16.6826 -16.6826 -16.6646 -16.6646 -16.6612 -16.6612 0.2603 0.2603 2.0749 2.0749 3.0474 3.0474 8.9087 8.9087 8.9511 8.9511 9.2524 9.2524 10.0788 10.0788 10.2391 10.2391 11.1083 11.1083 11.6633 11.6633 12.4402 12.4402 12.7867 12.7867 13.0286 13.0286 13.4803 13.4803 13.8921 13.8921 14.3743 14.3743 15.1378 15.1378 15.8813 15.8813 k = 0.0859 0.0859-0.0000 ( 3641 PWs) bands (ev): -41.1998 -41.1998 -41.1991 -41.1991 -18.7777 -18.7777 -18.7675 -18.7675 -16.7082 -16.7082 -16.6821 -16.6821 -16.6624 -16.6624 -16.6589 -16.6589 0.2273 0.2273 2.0495 2.0495 3.0280 3.0280 8.9021 8.9021 8.9754 8.9754 9.3498 9.3498 10.1470 10.1470 10.2892 10.2892 11.1094 11.1094 11.6538 11.6538 12.3584 12.3584 12.8793 12.8793 13.0751 13.0751 13.4205 13.4205 13.9447 13.9447 14.4162 14.4162 15.0925 15.0925 15.7753 15.7753 k = 0.0781 0.0781-0.0000 ( 3643 PWs) bands (ev): -41.2001 -41.2001 -41.1993 -41.1993 -18.7769 -18.7769 -18.7665 -18.7665 -16.7080 -16.7080 -16.6816 -16.6816 -16.6604 -16.6604 -16.6569 -16.6569 0.1970 0.1970 2.0263 2.0263 3.0097 3.0097 8.8770 8.8770 9.0209 9.0209 9.4465 9.4465 10.2075 10.2075 10.3345 10.3345 11.1106 11.1106 11.6481 11.6481 12.2797 12.2797 12.9577 12.9577 13.1204 13.1204 13.3601 13.3601 14.0057 14.0057 14.4568 14.4568 15.0479 15.0479 15.6746 15.6746 k = 0.0703 0.0703-0.0000 ( 3647 PWs) bands (ev): -41.2003 -41.2003 -41.1996 -41.1996 -18.7761 -18.7761 -18.7657 -18.7657 -16.7079 -16.7079 -16.6812 -16.6812 -16.6585 -16.6585 -16.6550 -16.6550 0.1694 0.1694 2.0053 2.0053 2.9928 2.9928 8.8521 8.8521 9.0683 9.0683 9.5421 9.5421 10.2590 10.2590 10.3740 10.3740 11.1119 11.1119 11.6474 11.6474 12.2051 12.2051 13.0210 13.0210 13.1641 13.1641 13.3007 13.3007 14.0750 14.0750 14.4946 14.4946 15.0049 15.0049 15.5801 15.5801 k = 0.0625 0.0625-0.0000 ( 3643 PWs) bands (ev): -41.2005 -41.2005 -41.1998 -41.1998 -18.7754 -18.7754 -18.7649 -18.7649 -16.7078 -16.7078 -16.6808 -16.6808 -16.6568 -16.6568 -16.6532 -16.6532 0.1447 0.1447 1.9866 1.9866 2.9773 2.9773 8.8292 8.8292 9.1156 9.1156 9.6364 9.6364 10.3006 10.3006 10.4068 10.4068 11.1133 11.1133 11.6525 11.6525 12.1357 12.1357 13.0685 13.0685 13.2039 13.2039 13.2456 13.2456 14.1510 14.1510 14.5288 14.5288 14.9646 14.9646 15.4926 15.4926 k = 0.0547 0.0547-0.0000 ( 3649 PWs) bands (ev): -41.2007 -41.2007 -41.2001 -41.2001 -18.7749 -18.7749 -18.7641 -18.7641 -16.7077 -16.7077 -16.6804 -16.6804 -16.6553 -16.6553 -16.6517 -16.6517 0.1227 0.1227 1.9701 1.9701 2.9634 2.9634 8.8086 8.8086 9.1614 9.1614 9.7287 9.7287 10.3320 10.3320 10.4318 10.4318 11.1147 11.1147 11.6632 11.6632 12.0728 12.0728 13.0956 13.0956 13.1971 13.1971 13.2439 13.2439 14.2314 14.2314 14.5583 14.5583 14.9279 14.9279 15.4130 15.4130 k = 0.0469 0.0469-0.0000 ( 3653 PWs) bands (ev): -41.2009 -41.2009 -41.2002 -41.2002 -18.7743 -18.7743 -18.7635 -18.7635 -16.7076 -16.7076 -16.6801 -16.6801 -16.6540 -16.6540 -16.6504 -16.6504 0.1037 0.1037 1.9558 1.9558 2.9511 2.9511 8.7904 8.7904 9.2049 9.2049 9.8183 9.8183 10.3536 10.3536 10.4479 10.4479 11.1160 11.1160 11.6785 11.6785 12.0182 12.0182 13.0843 13.0843 13.1848 13.1848 13.2744 13.2744 14.3131 14.3131 14.5827 14.5827 14.8960 14.8960 15.3420 15.3420 k = 0.0391 0.0391-0.0000 ( 3655 PWs) bands (ev): -41.2011 -41.2011 -41.2003 -41.2003 -18.7739 -18.7739 -18.7630 -18.7630 -16.7075 -16.7075 -16.6799 -16.6799 -16.6529 -16.6529 -16.6492 -16.6492 0.0875 0.0875 1.9437 1.9437 2.9405 2.9405 8.7750 8.7750 9.2448 9.2448 9.9046 9.9046 10.3667 10.3667 10.4543 10.4543 11.1172 11.1172 11.6958 11.6958 11.9737 11.9737 13.0440 13.0440 13.1975 13.1975 13.2998 13.2998 14.3922 14.3922 14.6013 14.6013 14.8699 14.8699 15.2805 15.2805 k = 0.0312 0.0312-0.0000 ( 3655 PWs) bands (ev): -41.2012 -41.2012 -41.2004 -41.2004 -18.7735 -18.7735 -18.7626 -18.7626 -16.7074 -16.7074 -16.6797 -16.6797 -16.6520 -16.6520 -16.6483 -16.6483 0.0743 0.0743 1.9338 1.9338 2.9318 2.9318 8.7622 8.7622 9.2799 9.2799 9.9862 9.9862 10.3730 10.3730 10.4506 10.4506 11.1182 11.1182 11.7119 11.7119 11.9412 11.9412 12.9997 12.9997 13.2134 13.2134 13.3200 13.3200 14.4650 14.4650 14.6142 14.6142 14.8500 14.8500 15.2292 15.2292 k = 0.0234 0.0234-0.0000 ( 3651 PWs) bands (ev): -41.2013 -41.2013 -41.2005 -41.2005 -18.7732 -18.7732 -18.7623 -18.7623 -16.7074 -16.7074 -16.6795 -16.6795 -16.6513 -16.6513 -16.6475 -16.6475 0.0640 0.0640 1.9261 1.9261 2.9249 2.9249 8.7522 8.7522 9.3091 9.3091 10.0616 10.0616 10.3742 10.3742 10.4375 10.4375 11.1190 11.1190 11.7231 11.7231 11.9219 11.9219 12.9600 12.9600 13.2268 13.2268 13.3352 13.3352 14.5274 14.5274 14.6221 14.6221 14.8362 14.8362 15.1885 15.1885 k = 0.0156 0.0156-0.0000 ( 3643 PWs) bands (ev): -41.2013 -41.2013 -41.2005 -41.2005 -18.7730 -18.7730 -18.7620 -18.7620 -16.7073 -16.7073 -16.6794 -16.6794 -16.6508 -16.6508 -16.6470 -16.6470 0.0566 0.0566 1.9206 1.9206 2.9200 2.9200 8.7451 8.7451 9.3310 9.3310 10.1278 10.1278 10.3719 10.3719 10.4178 10.4178 11.1197 11.1197 11.7283 11.7283 11.9141 11.9141 12.9287 12.9287 13.2365 13.2365 13.3458 13.3458 14.5752 14.5752 14.6262 14.6262 14.8278 14.8278 15.1592 15.1592 k = 0.0078 0.0078-0.0000 ( 3631 PWs) bands (ev): -41.2012 -41.2012 -41.2004 -41.2004 -18.7729 -18.7729 -18.7619 -18.7619 -16.7073 -16.7073 -16.6793 -16.6793 -16.6504 -16.6504 -16.6467 -16.6467 0.0522 0.0522 1.9173 1.9173 2.9170 2.9170 8.7408 8.7408 9.3447 9.3447 10.1782 10.1782 10.3660 10.3660 10.3992 10.3992 11.1201 11.1201 11.7295 11.7295 11.9129 11.9129 12.9086 12.9086 13.2423 13.2423 13.3520 13.3520 14.6048 14.6048 14.6286 14.6286 14.8235 14.8235 15.1414 15.1414 k = 0.0000 0.0000 0.0000 ( 3633 PWs) bands (ev): -41.2013 -41.2013 -41.2003 -41.2003 -18.7728 -18.7728 -18.7618 -18.7618 -16.7073 -16.7073 -16.6793 -16.6793 -16.6503 -16.6503 -16.6466 -16.6466 0.0507 0.0507 1.9162 1.9162 2.9160 2.9160 8.7393 8.7393 9.3493 9.3493 10.1989 10.1989 10.3607 10.3607 10.3924 10.3924 11.1202 11.1202 11.7294 11.7294 11.9132 11.9132 12.9017 12.9017 13.2443 13.2443 13.3541 13.3541 14.6141 14.6141 14.6301 14.6301 14.8222 14.8222 15.1354 15.1354 k = 0.0000 0.0000 0.0000 ( 3633 PWs) bands (ev): -41.2013 -41.2013 -41.2003 -41.2003 -18.7728 -18.7728 -18.7618 -18.7618 -16.7073 -16.7073 -16.6793 -16.6793 -16.6503 -16.6503 -16.6466 -16.6466 0.0507 0.0507 1.9162 1.9162 2.9160 2.9160 8.7393 8.7393 9.3493 9.3493 10.1989 10.1989 10.3607 10.3607 10.3924 10.3924 11.1202 11.1202 11.7294 11.7294 11.9132 11.9132 12.9017 12.9017 13.2443 13.2443 13.3541 13.3541 14.6141 14.6141 14.6301 14.6301 14.8222 14.8222 15.1354 15.1354 k = 0.0000 0.0000 0.0110 ( 3645 PWs) bands (ev): -41.2014 -41.2014 -41.2005 -41.2005 -18.7728 -18.7728 -18.7619 -18.7619 -16.7072 -16.7072 -16.6794 -16.6794 -16.6503 -16.6503 -16.6466 -16.6466 0.0519 0.0519 1.9101 1.9101 2.9219 2.9219 8.7202 8.7202 9.3705 9.3705 10.1995 10.1995 10.3617 10.3617 10.3933 10.3933 11.1191 11.1191 11.7253 11.7253 11.9087 11.9087 12.9050 12.9050 13.2494 13.2494 13.3601 13.3601 14.6059 14.6059 14.6304 14.6304 14.8219 14.8219 15.1377 15.1377 k = 0.0000 0.0000 0.0221 ( 3649 PWs) bands (ev): -41.2013 -41.2013 -41.2006 -41.2006 -18.7728 -18.7728 -18.7619 -18.7619 -16.7071 -16.7071 -16.6795 -16.6795 -16.6503 -16.6503 -16.6466 -16.6466 0.0555 0.0555 1.8922 1.8922 2.9392 2.9392 8.6695 8.6695 9.4274 9.4274 10.2011 10.2011 10.3648 10.3648 10.3962 10.3962 11.1160 11.1160 11.7131 11.7131 11.8954 11.8954 12.9151 12.9151 13.2648 13.2648 13.3778 13.3778 14.5816 14.5816 14.6312 14.6312 14.8211 14.8211 15.1446 15.1446 k = 0.0000 0.0000 0.0331 ( 3641 PWs) bands (ev): -41.2012 -41.2012 -41.2006 -41.2006 -18.7727 -18.7727 -18.7620 -18.7620 -16.7069 -16.7069 -16.6797 -16.6797 -16.6503 -16.6503 -16.6466 -16.6466 0.0614 0.0614 1.8639 1.8639 2.9665 2.9665 8.5994 8.5994 9.5080 9.5080 10.2037 10.2037 10.3698 10.3698 10.4011 10.4011 11.1108 11.1108 11.6935 11.6935 11.8739 11.8739 12.9317 12.9317 13.2898 13.2898 13.4065 13.4065 14.5421 14.5421 14.6325 14.6325 14.8197 14.8197 15.1560 15.1560 k = 0.0000 0.0000 0.0442 ( 3641 PWs) bands (ev): -41.2012 -41.2012 -41.2006 -41.2006 -18.7726 -18.7726 -18.7621 -18.7621 -16.7066 -16.7066 -16.6800 -16.6800 -16.6503 -16.6503 -16.6467 -16.6467 0.0696 0.0696 1.8270 1.8270 3.0020 3.0020 8.5193 8.5193 9.6025 9.6025 10.2074 10.2074 10.3769 10.3769 10.4078 10.4078 11.1037 11.1037 11.6673 11.6673 11.8455 11.8455 12.9544 12.9544 13.3235 13.3235 13.4451 13.4451 14.4889 14.4889 14.6343 14.6343 14.8178 14.8178 15.1716 15.1716 k = 0.0000 0.0000 0.0552 ( 3641 PWs) bands (ev): -41.2012 -41.2012 -41.2006 -41.2006 -18.7724 -18.7724 -18.7622 -18.7622 -16.7063 -16.7063 -16.6804 -16.6804 -16.6502 -16.6502 -16.6467 -16.6467 0.0801 0.0801 1.7835 1.7835 3.0436 3.0436 8.4351 8.4351 9.7055 9.7055 10.2120 10.2120 10.3859 10.3859 10.4163 10.4163 11.0948 11.0948 11.6356 11.6356 11.8112 11.8112 12.9827 12.9827 13.3647 13.3647 13.4923 13.4923 14.4240 14.4240 14.6367 14.6367 14.8153 14.8153 15.1912 15.1912 k = 0.0000 0.0000 0.0663 ( 3641 PWs) bands (ev): -41.2012 -41.2012 -41.2006 -41.2006 -18.7722 -18.7722 -18.7624 -18.7624 -16.7058 -16.7058 -16.6808 -16.6808 -16.6502 -16.6502 -16.6468 -16.6468 0.0927 0.0927 1.7350 1.7350 3.0895 3.0895 8.3499 8.3499 9.8135 9.8135 10.2175 10.2175 10.3968 10.3968 10.4266 10.4266 11.0842 11.0842 11.5993 11.5993 11.7725 11.7725 13.0160 13.0160 13.4122 13.4122 13.5467 13.5467 14.3497 14.3497 14.6395 14.6395 14.8123 14.8123 15.2146 15.2146 k = 0.0000 0.0000 0.0773 ( 3641 PWs) bands (ev): -41.2012 -41.2012 -41.2006 -41.2006 -18.7720 -18.7720 -18.7626 -18.7626 -16.7053 -16.7053 -16.6814 -16.6814 -16.6501 -16.6501 -16.6468 -16.6468 0.1073 0.1073 1.6832 1.6832 3.1381 3.1381 8.2658 8.2658 9.9246 9.9246 10.2239 10.2239 10.4096 10.4096 10.4385 10.4385 11.0724 11.0724 11.5596 11.5596 11.7304 11.7304 13.0531 13.0531 13.4645 13.4645 13.6072 13.6072 14.2691 14.2691 14.6429 14.6429 14.8087 14.8087 15.2411 15.2411 k = 0.0000 0.0000 0.0884 ( 3657 PWs) bands (ev): -41.2012 -41.2012 -41.2009 -41.2009 -18.7718 -18.7718 -18.7628 -18.7628 -16.7047 -16.7047 -16.6820 -16.6820 -16.6500 -16.6500 -16.6469 -16.6469 0.1238 0.1238 1.6295 1.6295 3.1879 3.1879 8.1840 8.1840 10.0373 10.0373 10.2309 10.2309 10.4240 10.4240 10.4520 10.4520 11.0594 11.0594 11.5175 11.5175 11.6861 11.6861 13.0925 13.0925 13.5201 13.5201 13.6723 13.6723 14.1857 14.1857 14.6467 14.6467 14.8047 14.8047 15.2705 15.2705 k = 0.0000 0.0000 0.0994 ( 3657 PWs) bands (ev): -41.2012 -41.2012 -41.2009 -41.2009 -18.7716 -18.7716 -18.7631 -18.7631 -16.7041 -16.7041 -16.6826 -16.6826 -16.6500 -16.6500 -16.6470 -16.6470 0.1419 0.1419 1.5748 1.5748 3.2379 3.2379 8.1056 8.1056 10.1505 10.1505 10.2385 10.2385 10.4402 10.4402 10.4669 10.4669 11.0455 11.0455 11.4738 11.4738 11.6407 11.6407 13.1318 13.1318 13.5769 13.5769 13.7410 13.7410 14.1043 14.1043 14.6509 14.6509 14.8002 14.8002 15.3020 15.3020 k = 0.0000 0.0000 0.1105 ( 3657 PWs) bands (ev): -41.2012 -41.2012 -41.2009 -41.2009 -18.7713 -18.7713 -18.7634 -18.7634 -16.7033 -16.7033 -16.6834 -16.6834 -16.6499 -16.6499 -16.6471 -16.6471 0.1614 0.1614 1.5203 1.5203 3.2869 3.2869 8.0313 8.0313 10.2465 10.2465 10.2630 10.2630 10.4579 10.4579 10.4829 10.4829 11.0312 11.0312 11.4294 11.4294 11.5950 11.5950 13.1675 13.1675 13.6323 13.6323 13.8122 13.8122 14.0315 14.0315 14.6555 14.6555 14.7952 14.7952 15.3351 15.3351 k = 0.0000 0.0000 0.1215 ( 3669 PWs) bands (ev): -41.2013 -41.2013 -41.2009 -41.2009 -18.7710 -18.7710 -18.7637 -18.7637 -16.7026 -16.7026 -16.6842 -16.6842 -16.6498 -16.6498 -16.6472 -16.6472 0.1820 0.1820 1.4668 1.4668 3.3341 3.3341 7.9619 7.9619 10.2548 10.2548 10.3736 10.3736 10.4772 10.4772 10.4999 10.4999 11.0165 11.0165 11.3852 11.3852 11.5498 11.5498 13.1940 13.1940 13.6819 13.6819 13.8848 13.8848 13.9772 13.9772 14.6605 14.6605 14.7899 14.7899 15.3689 15.3689 k = 0.0000 0.0000 0.1326 ( 3661 PWs) bands (ev): -41.2013 -41.2013 -41.2009 -41.2009 -18.7706 -18.7706 -18.7640 -18.7640 -16.7017 -16.7017 -16.6850 -16.6850 -16.6497 -16.6497 -16.6473 -16.6473 0.2032 0.2032 1.4151 1.4151 3.3786 3.3786 7.8980 7.8980 10.2632 10.2632 10.4760 10.4760 10.5028 10.5028 10.5174 10.5174 11.0021 11.0021 11.3417 11.3417 11.5060 11.5060 13.2045 13.2045 13.7204 13.7204 13.9537 13.9537 13.9576 13.9576 14.6658 14.6658 14.7842 14.7842 15.4025 15.4025 k = 0.0000 0.0000 0.1436 ( 3653 PWs) bands (ev): -41.2012 -41.2012 -41.2008 -41.2008 -18.7703 -18.7703 -18.7644 -18.7644 -16.7008 -16.7008 -16.6859 -16.6859 -16.6496 -16.6496 -16.6474 -16.6474 0.2247 0.2247 1.3662 1.3662 3.4197 3.4197 7.8400 7.8400 10.2714 10.2714 10.5136 10.5136 10.5353 10.5353 10.5897 10.5897 10.9881 10.9881 11.2999 11.2999 11.4642 11.4642 13.1933 13.1933 13.7487 13.7487 13.9654 13.9654 14.0296 14.0296 14.6714 14.6714 14.7782 14.7782 15.3948 15.3948 k = 0.0000 0.0000 0.1547 ( 3657 PWs) bands (ev): -41.2012 -41.2012 -41.2009 -41.2009 -18.7699 -18.7699 -18.7647 -18.7647 -16.6999 -16.6999 -16.6868 -16.6868 -16.6495 -16.6495 -16.6475 -16.6475 0.2458 0.2458 1.3208 1.3208 3.4568 3.4568 7.7885 7.7885 10.2793 10.2793 10.5349 10.5349 10.5529 10.5529 10.6872 10.6872 10.9750 10.9750 11.2606 11.2606 11.4254 11.4254 13.1602 13.1602 13.7770 13.7770 14.0015 14.0015 14.0993 14.0993 14.6773 14.6773 14.7720 14.7720 15.3480 15.3480 k = 0.0000 0.0000 0.1657 ( 3645 PWs) bands (ev): -41.2012 -41.2012 -41.2007 -41.2007 -18.7696 -18.7696 -18.7651 -18.7651 -16.6990 -16.6990 -16.6878 -16.6878 -16.6493 -16.6493 -16.6476 -16.6476 0.2658 0.2658 1.2798 1.2798 3.4893 3.4893 7.7441 7.7441 10.2865 10.2865 10.5550 10.5550 10.5696 10.5696 10.7772 10.7772 10.9631 10.9631 11.2248 11.2248 11.3903 11.3903 13.1118 13.1118 13.8120 13.8120 14.0477 14.0477 14.1649 14.1649 14.6833 14.6833 14.7656 14.7656 15.3031 15.3031 k = 0.0000 0.0000 0.1768 ( 3645 PWs) bands (ev): -41.2012 -41.2012 -41.2007 -41.2007 -18.7692 -18.7692 -18.7654 -18.7654 -16.6980 -16.6980 -16.6887 -16.6887 -16.6492 -16.6492 -16.6477 -16.6477 0.2840 0.2840 1.2443 1.2443 3.5166 3.5166 7.7070 7.7070 10.2929 10.2929 10.5737 10.5737 10.5849 10.5849 10.8567 10.8567 10.9527 10.9527 11.1936 11.1936 11.3598 11.3598 13.0575 13.0575 13.8517 13.8517 14.0951 14.0951 14.2246 14.2246 14.6894 14.6894 14.7591 14.7591 15.2616 15.2616 k = 0.0000 0.0000 0.1878 ( 3645 PWs) bands (ev): -41.2011 -41.2011 -41.2007 -41.2007 -18.7688 -18.7688 -18.7658 -18.7658 -16.6971 -16.6971 -16.6897 -16.6897 -16.6491 -16.6491 -16.6478 -16.6478 0.2994 0.2994 1.2153 1.2153 3.5384 3.5384 7.6778 7.6778 10.2981 10.2981 10.5899 10.5899 10.5980 10.5980 10.9224 10.9224 10.9443 10.9443 11.1685 11.1685 11.3347 11.3347 13.0058 13.0058 13.8908 13.8908 14.1381 14.1381 14.2757 14.2757 14.6954 14.6954 14.7528 14.7528 15.2256 15.2256 k = 0.0000 0.0000 0.1989 ( 3653 PWs) bands (ev): -41.2012 -41.2012 -41.2007 -41.2007 -18.7685 -18.7685 -18.7661 -18.7661 -16.6962 -16.6962 -16.6906 -16.6906 -16.6491 -16.6491 -16.6479 -16.6479 0.3113 0.3113 1.1936 1.1936 3.5542 3.5542 7.6567 7.6567 10.3021 10.3021 10.6028 10.6028 10.6080 10.6080 10.9380 10.9380 10.9707 10.9707 11.1509 11.1509 11.3160 11.3160 12.9635 12.9635 13.9237 13.9237 14.1725 14.1725 14.3155 14.3155 14.7009 14.7009 14.7470 14.7470 15.1974 15.1974 k = 0.0000 0.0000 0.2099 ( 3648 PWs) bands (ev): -41.2012 -41.2012 -41.2007 -41.2007 -18.7682 -18.7682 -18.7664 -18.7664 -16.6955 -16.6955 -16.6913 -16.6913 -16.6490 -16.6490 -16.6479 -16.6479 0.3187 0.3187 1.1803 1.1803 3.5638 3.5638 7.6439 7.6439 10.3045 10.3045 10.6111 10.6111 10.6144 10.6144 10.9342 10.9342 10.9994 10.9994 11.1415 11.1415 11.3044 11.3044 12.9359 12.9359 13.9457 13.9457 14.1950 14.1950 14.3409 14.3409 14.7053 14.7053 14.7424 14.7424 15.1794 15.1794 k = 0.0000 0.0000 0.2210 ( 3648 PWs) bands (ev): -41.2012 -41.2012 -41.2007 -41.2007 -18.7681 -18.7681 -18.7665 -18.7665 -16.6952 -16.6952 -16.6916 -16.6916 -16.6490 -16.6490 -16.6479 -16.6479 0.3213 0.3213 1.1757 1.1757 3.5670 3.5670 7.6397 7.6397 10.3053 10.3053 10.6140 10.6140 10.6166 10.6166 10.9329 10.9329 11.0087 11.0087 11.1389 11.1389 11.3005 11.3005 12.9263 12.9263 13.9534 13.9534 14.2028 14.2028 14.3496 14.3496 14.7070 14.7070 14.7406 14.7406 15.1731 15.1731 k = 0.0000 0.0000 0.2210 ( 3648 PWs) bands (ev): -41.2012 -41.2012 -41.2007 -41.2007 -18.7681 -18.7681 -18.7665 -18.7665 -16.6952 -16.6952 -16.6916 -16.6916 -16.6490 -16.6490 -16.6479 -16.6479 0.3213 0.3213 1.1757 1.1757 3.5670 3.5670 7.6397 7.6397 10.3053 10.3053 10.6140 10.6140 10.6166 10.6166 10.9329 10.9329 11.0087 11.0087 11.1389 11.1389 11.3005 11.3005 12.9263 12.9263 13.9534 13.9534 14.2028 14.2028 14.3496 14.3496 14.7070 14.7070 14.7406 14.7406 15.1731 15.1731 k = 0.0000 0.0111 0.2210 ( 3654 PWs) bands (ev): -41.2012 -41.2012 -41.2007 -41.2007 -18.7682 -18.7682 -18.7665 -18.7665 -16.6952 -16.6952 -16.6916 -16.6916 -16.6491 -16.6491 -16.6480 -16.6480 0.3226 0.3226 1.1772 1.1772 3.5674 3.5674 7.6408 7.6408 10.2794 10.2794 10.6162 10.6162 10.6340 10.6340 10.9204 10.9204 11.0108 11.0108 11.1414 11.1414 11.2998 11.2998 12.9341 12.9341 13.9489 13.9489 14.1935 14.1935 14.3367 14.3367 14.6955 14.6955 14.7623 14.7623 15.1799 15.1799 k = 0.0000 0.0222 0.2210 ( 3654 PWs) bands (ev): -41.2012 -41.2012 -41.2007 -41.2007 -18.7683 -18.7683 -18.7667 -18.7667 -16.6953 -16.6953 -16.6916 -16.6916 -16.6494 -16.6494 -16.6484 -16.6484 0.3267 0.3267 1.1818 1.1818 3.5686 3.5686 7.6443 7.6443 10.2144 10.2144 10.6195 10.6195 10.6774 10.6774 10.8863 10.8863 11.0148 11.0148 11.1481 11.1481 11.2979 11.2979 12.9570 12.9570 13.9353 13.9353 14.1642 14.1642 14.3077 14.3077 14.6668 14.6668 14.8155 14.8155 15.1975 15.1975 k = 0.0000 0.0333 0.2210 ( 3662 PWs) bands (ev): -41.2012 -41.2012 -41.2007 -41.2007 -18.7686 -18.7686 -18.7669 -18.7669 -16.6954 -16.6954 -16.6917 -16.6917 -16.6499 -16.6499 -16.6489 -16.6489 0.3334 0.3334 1.1893 1.1893 3.5707 3.5707 7.6501 7.6501 10.1275 10.1275 10.6248 10.6248 10.7286 10.7286 10.8357 10.8357 11.0184 11.0184 11.1573 11.1573 11.2957 11.2957 12.9933 12.9933 13.9123 13.9123 14.1154 14.1154 14.2773 14.2773 14.6255 14.6255 14.8860 14.8860 15.2204 15.2204 k = 0.0000 0.0444 0.2210 ( 3662 PWs) bands (ev): -41.2011 -41.2011 -41.2007 -41.2007 -18.7689 -18.7689 -18.7672 -18.7672 -16.6955 -16.6955 -16.6918 -16.6918 -16.6506 -16.6506 -16.6496 -16.6496 0.3429 0.3429 1.1999 1.1999 3.5735 3.5735 7.6581 7.6581 10.0274 10.0274 10.6322 10.6322 10.7635 10.7635 10.7872 10.7872 11.0213 11.0213 11.1673 11.1673 11.2942 11.2942 13.0406 13.0406 13.8790 13.8790 14.0542 14.0542 14.2494 14.2494 14.5761 14.5761 14.9652 14.9652 15.2442 15.2442 k = 0.0000 0.0556 0.2210 ( 3658 PWs) bands (ev): -41.2010 -41.2010 -41.2005 -41.2005 -18.7693 -18.7693 -18.7676 -18.7676 -16.6957 -16.6957 -16.6920 -16.6920 -16.6515 -16.6515 -16.6504 -16.6504 0.3550 0.3550 1.2135 1.2135 3.5771 3.5771 7.6683 7.6683 9.9180 9.9180 10.6412 10.6412 10.6917 10.6917 10.8307 10.8307 11.0236 11.0236 11.1774 11.1774 11.2943 11.2943 13.0963 13.0963 13.8341 13.8341 13.9902 13.9902 14.2221 14.2221 14.5218 14.5218 15.0481 15.0481 15.2672 15.2672 k = 0.0000 0.0667 0.2210 ( 3660 PWs) bands (ev): -41.2008 -41.2008 -41.2004 -41.2004 -18.7698 -18.7698 -18.7680 -18.7680 -16.6960 -16.6960 -16.6922 -16.6922 -16.6525 -16.6525 -16.6515 -16.6515 0.3698 0.3698 1.2300 1.2300 3.5813 3.5813 7.6804 7.6804 9.8014 9.8014 10.6026 10.6026 10.6548 10.6548 10.8745 10.8745 11.0256 11.0256 11.1868 11.1868 11.2964 11.2964 13.1573 13.1573 13.7768 13.7768 13.9300 13.9300 14.1942 14.1942 14.4648 14.4648 15.1313 15.1313 15.2901 15.2901 k = 0.0000 0.0778 0.2210 ( 3660 PWs) bands (ev): -41.2007 -41.2007 -41.2002 -41.2002 -18.7704 -18.7704 -18.7686 -18.7686 -16.6964 -16.6964 -16.6926 -16.6926 -16.6537 -16.6537 -16.6526 -16.6526 0.3873 0.3873 1.2496 1.2496 3.5861 3.5861 7.6944 7.6944 9.6792 9.6792 10.5075 10.5075 10.6680 10.6680 10.9131 10.9131 11.0278 11.0278 11.1952 11.1952 11.3009 11.3009 13.2200 13.2200 13.7091 13.7091 13.8766 13.8766 14.1652 14.1652 14.4069 14.4069 15.2107 15.2107 15.3158 15.3158 k = 0.0000 0.0889 0.2210 ( 3664 PWs) bands (ev): -41.2006 -41.2006 -41.2001 -41.2001 -18.7711 -18.7711 -18.7692 -18.7692 -16.6970 -16.6970 -16.6930 -16.6930 -16.6550 -16.6550 -16.6538 -16.6538 0.4074 0.4074 1.2722 1.2722 3.5914 3.5914 7.7098 7.7098 9.5526 9.5526 10.4054 10.4054 10.6837 10.6837 10.9447 10.9447 11.0317 11.0317 11.2023 11.2023 11.3080 11.3080 13.2795 13.2795 13.6361 13.6361 13.8303 13.8303 14.1353 14.1353 14.3488 14.3488 15.2756 15.2756 15.3542 15.3542 k = 0.0000 0.1000 0.2210 ( 3664 PWs) bands (ev): -41.2003 -41.2003 -41.1999 -41.1999 -18.7719 -18.7719 -18.7699 -18.7699 -16.6976 -16.6976 -16.6935 -16.6935 -16.6563 -16.6563 -16.6551 -16.6551 0.4301 0.4301 1.2977 1.2977 3.5971 3.5971 7.7265 7.7265 9.4227 9.4227 10.2984 10.2984 10.7015 10.7015 10.9658 10.9658 11.0408 11.0408 11.2079 11.2079 11.3175 11.3175 13.3267 13.3267 13.5653 13.5653 13.7929 13.7929 14.1050 14.1050 14.2916 14.2916 15.3132 15.3132 15.4171 15.4171 k = 0.0000 0.1111 0.2210 ( 3662 PWs) bands (ev): -41.2001 -41.2001 -41.1996 -41.1996 -18.7727 -18.7727 -18.7707 -18.7707 -16.6984 -16.6984 -16.6943 -16.6943 -16.6577 -16.6577 -16.6564 -16.6564 0.4554 0.4554 1.3261 1.3261 3.6032 3.6032 7.7437 7.7437 9.2906 9.2906 10.1877 10.1877 10.7214 10.7214 10.9735 10.9735 11.0579 11.0579 11.2121 11.2121 11.3290 11.3290 13.3426 13.3426 13.5099 13.5099 13.7706 13.7706 14.0750 14.0750 14.2356 14.2356 15.3351 15.3351 15.4922 15.4922 k = 0.0000 0.1222 0.2210 ( 3658 PWs) bands (ev): -41.1998 -41.1998 -41.1994 -41.1994 -18.7736 -18.7736 -18.7716 -18.7716 -16.6995 -16.6995 -16.6952 -16.6952 -16.6590 -16.6590 -16.6577 -16.6577 0.4833 0.4833 1.3575 1.3575 3.6093 3.6093 7.7608 7.7608 9.1578 9.1578 10.0748 10.0748 10.7431 10.7431 10.9703 10.9703 11.0806 11.0806 11.2151 11.2151 11.3420 11.3420 13.3085 13.3085 13.4795 13.4795 13.7727 13.7727 14.0459 14.0459 14.1815 14.1815 15.3512 15.3512 15.5689 15.5689 k = 0.0000 0.1333 0.2210 ( 3658 PWs) bands (ev): -41.1996 -41.1996 -41.1991 -41.1991 -18.7746 -18.7746 -18.7725 -18.7725 -16.7007 -16.7007 -16.6963 -16.6963 -16.6603 -16.6603 -16.6589 -16.6589 0.5137 0.5137 1.3918 1.3918 3.6155 3.6155 7.7765 7.7765 9.0260 9.0260 9.9605 9.9605 10.7668 10.7668 10.9597 10.9597 11.1051 11.1051 11.2169 11.2169 11.3557 11.3557 13.2422 13.2422 13.4529 13.4529 13.8029 13.8029 14.0186 14.0186 14.1294 14.1294 15.3642 15.3642 15.6439 15.6439 k = 0.0000 0.1444 0.2210 ( 3664 PWs) bands (ev): -41.1994 -41.1994 -41.1989 -41.1989 -18.7757 -18.7757 -18.7735 -18.7735 -16.7023 -16.7023 -16.6977 -16.6977 -16.6615 -16.6615 -16.6600 -16.6600 0.5466 0.5466 1.4290 1.4290 3.6216 3.6216 7.7891 7.7891 8.8973 8.8973 9.8458 9.8458 10.7923 10.7923 10.9437 10.9437 11.1295 11.1295 11.2177 11.2177 11.3697 11.3697 13.1654 13.1654 13.4159 13.4159 13.8538 13.8538 13.9942 13.9942 14.0799 14.0799 15.3748 15.3748 15.7145 15.7145 k = 0.0000 0.1556 0.2210 ( 3660 PWs) bands (ev): -41.1991 -41.1991 -41.1986 -41.1986 -18.7768 -18.7768 -18.7746 -18.7746 -16.7040 -16.7040 -16.6994 -16.6994 -16.6626 -16.6626 -16.6610 -16.6610 0.5820 0.5820 1.4691 1.4691 3.6273 3.6273 7.7958 7.7958 8.7750 8.7750 9.7315 9.7315 10.8196 10.8196 10.9227 10.9227 11.1533 11.1533 11.2178 11.2178 11.3832 11.3832 13.0858 13.0858 13.3706 13.3706 13.9140 13.9140 13.9752 13.9752 14.0332 14.0332 15.3833 15.3833 15.7660 15.7660 k = 0.0000 0.1667 0.2210 ( 3646 PWs) bands (ev): -41.1986 -41.1986 -41.1981 -41.1981 -18.7779 -18.7779 -18.7757 -18.7757 -16.7061 -16.7061 -16.7013 -16.7013 -16.6635 -16.6635 -16.6618 -16.6618 0.6198 0.6198 1.5120 1.5120 3.6325 3.6325 7.7926 7.7926 8.6635 8.6635 9.6183 9.6183 10.8484 10.8484 10.8969 10.8969 11.1762 11.1762 11.2172 11.2172 11.3956 11.3956 13.0062 13.0062 13.3207 13.3207 13.9444 13.9444 13.9829 13.9829 14.0025 14.0025 15.3900 15.3900 15.7920 15.7920 k = 0.0000 0.1778 0.2210 ( 3642 PWs) bands (ev): -41.1983 -41.1983 -41.1978 -41.1978 -18.7791 -18.7791 -18.7768 -18.7768 -16.7084 -16.7084 -16.7036 -16.7036 -16.6642 -16.6642 -16.6624 -16.6624 0.6601 0.6601 1.5577 1.5577 3.6369 3.6369 7.7736 7.7736 8.5687 8.5687 9.5069 9.5069 10.8659 10.8659 10.8791 10.8791 11.1972 11.1972 11.2167 11.2167 11.4064 11.4064 12.9276 12.9276 13.2687 13.2687 13.9344 13.9344 13.9469 13.9469 14.0664 14.0664 15.3951 15.3951 15.8142 15.8142 k = 0.0000 0.1889 0.2210 ( 3646 PWs) bands (ev): -41.1980 -41.1980 -41.1975 -41.1975 -18.7804 -18.7804 -18.7781 -18.7781 -16.7109 -16.7109 -16.7061 -16.7061 -16.6647 -16.6647 -16.6629 -16.6629 0.7027 0.7027 1.6063 1.6063 3.6405 3.6405 7.7329 7.7329 8.4972 8.4972 9.3979 9.3979 10.8304 10.8304 10.9108 10.9108 11.2088 11.2088 11.2240 11.2240 11.4150 11.4150 12.8507 12.8507 13.2159 13.2159 13.9070 13.9070 13.9286 13.9286 14.1398 14.1398 15.3990 15.3990 15.8354 15.8354 k = 0.0000 0.2000 0.2210 ( 3656 PWs) bands (ev): -41.1977 -41.1977 -41.1972 -41.1972 -18.7817 -18.7817 -18.7794 -18.7794 -16.7137 -16.7137 -16.7089 -16.7089 -16.6651 -16.6651 -16.6632 -16.6632 0.7476 0.7476 1.6576 1.6576 3.6428 3.6428 7.6666 7.6666 8.4527 8.4527 9.2918 9.2918 10.7899 10.7899 10.9439 10.9439 11.2076 11.2076 11.2425 11.2425 11.4207 11.4207 12.7762 12.7762 13.1633 13.1633 13.8721 13.8721 13.9256 13.9256 14.2148 14.2148 15.4020 15.4020 15.8561 15.8561 k = 0.0000 0.2111 0.2210 ( 3646 PWs) bands (ev): -41.1973 -41.1973 -41.1968 -41.1968 -18.7830 -18.7830 -18.7807 -18.7807 -16.7167 -16.7167 -16.7119 -16.7119 -16.6653 -16.6653 -16.6634 -16.6634 0.7948 0.7948 1.7116 1.7116 3.6438 3.6438 7.5761 7.5761 8.4343 8.4343 9.1892 9.1892 10.7447 10.7447 10.9780 10.9780 11.2041 11.2041 11.2617 11.2617 11.4231 11.4231 12.7043 12.7043 13.1115 13.1115 13.8398 13.8398 13.9289 13.9289 14.2905 14.2905 15.4046 15.4046 15.8762 15.8762 k = 0.0000 0.2222 0.2210 ( 3650 PWs) bands (ev): -41.1970 -41.1970 -41.1965 -41.1965 -18.7844 -18.7844 -18.7820 -18.7820 -16.7199 -16.7199 -16.7151 -16.7151 -16.6653 -16.6653 -16.6635 -16.6635 0.8442 0.8442 1.7683 1.7683 3.6431 3.6431 7.4663 7.4663 8.4371 8.4371 9.0905 9.0905 10.6947 10.6947 11.0130 11.0130 11.1997 11.1997 11.2803 11.2803 11.4216 11.4216 12.6355 12.6355 13.0607 13.0607 13.8104 13.8104 13.9385 13.9385 14.3667 14.3667 15.4072 15.4072 15.8954 15.8954 k = 0.0000 0.2333 0.2210 ( 3644 PWs) bands (ev): -41.1966 -41.1966 -41.1961 -41.1961 -18.7857 -18.7857 -18.7834 -18.7834 -16.7232 -16.7232 -16.7185 -16.7185 -16.6652 -16.6652 -16.6634 -16.6634 0.8957 0.8957 1.8277 1.8277 3.6405 3.6405 7.3429 7.3429 8.4554 8.4554 8.9964 8.9964 10.6403 10.6403 11.0484 11.0484 11.1945 11.1945 11.2983 11.2983 11.4160 11.4160 12.5701 12.5701 13.0111 13.0111 13.7837 13.7837 13.9547 13.9547 14.4431 14.4431 15.4103 15.4103 15.9120 15.9120 k = 0.0000 0.2444 0.2210 ( 3634 PWs) bands (ev): -41.1961 -41.1961 -41.1957 -41.1957 -18.7871 -18.7871 -18.7848 -18.7848 -16.7266 -16.7266 -16.7219 -16.7219 -16.6650 -16.6650 -16.6633 -16.6633 0.9494 0.9494 1.8898 1.8898 3.6357 3.6357 7.2105 7.2105 8.4847 8.4847 8.9072 8.9072 10.5818 10.5818 11.0840 11.0840 11.1888 11.1888 11.3156 11.3156 11.4058 11.4058 12.5087 12.5087 12.9626 12.9626 13.7597 13.7597 13.9776 13.9776 14.5200 14.5200 15.4145 15.4145 15.9194 15.9194 k = 0.0000 0.2556 0.2210 ( 3630 PWs) bands (ev): -41.1957 -41.1957 -41.1953 -41.1953 -18.7885 -18.7885 -18.7862 -18.7862 -16.7300 -16.7300 -16.7255 -16.7255 -16.6648 -16.6648 -16.6630 -16.6630 1.0051 1.0051 1.9544 1.9544 3.6286 3.6286 7.0724 7.0724 8.5216 8.5216 8.8235 8.8235 10.5195 10.5195 11.1193 11.1193 11.1825 11.1825 11.3323 11.3323 11.3909 11.3909 12.4518 12.4518 12.9152 12.9152 13.7380 13.7380 14.0072 14.0072 14.5974 14.5974 15.4201 15.4201 15.9087 15.9087 k = 0.0000 0.2667 0.2210 ( 3638 PWs) bands (ev): -41.1954 -41.1954 -41.1950 -41.1950 -18.7899 -18.7899 -18.7876 -18.7876 -16.7335 -16.7335 -16.7291 -16.7291 -16.6644 -16.6644 -16.6627 -16.6627 1.0628 1.0628 2.0215 2.0215 3.6188 3.6188 6.9307 6.9307 8.5636 8.5636 8.7460 8.7460 10.4540 10.4540 11.1535 11.1535 11.1759 11.1759 11.3483 11.3483 11.3713 11.3713 12.3998 12.3998 12.8686 12.8686 13.7184 13.7184 14.0433 14.0433 14.6756 14.6756 15.4277 15.4277 15.8836 15.8836 k = 0.0000 0.2778 0.2210 ( 3642 PWs) bands (ev): -41.1951 -41.1951 -41.1947 -41.1947 -18.7913 -18.7913 -18.7890 -18.7890 -16.7370 -16.7370 -16.7327 -16.7327 -16.6640 -16.6640 -16.6624 -16.6624 1.1224 1.1224 2.0911 2.0911 3.6061 3.6061 6.7868 6.7868 8.6062 8.6062 8.6781 8.6781 10.3856 10.3856 11.1678 11.1678 11.1873 11.1873 11.3463 11.3463 11.3648 11.3648 12.3534 12.3534 12.8226 12.8226 13.7005 13.7005 14.0857 14.0857 14.7547 14.7547 15.4374 15.4374 15.8503 15.8503 k = 0.0000 0.2889 0.2210 ( 3642 PWs) bands (ev): -41.1947 -41.1947 -41.1943 -41.1943 -18.7926 -18.7926 -18.7904 -18.7904 -16.7405 -16.7405 -16.7364 -16.7364 -16.6636 -16.6636 -16.6620 -16.6620 1.1839 1.1839 2.1631 2.1631 3.5905 3.5905 6.6417 6.6417 8.5979 8.5979 8.6705 8.6705 10.3151 10.3151 11.1606 11.1606 11.2175 11.2175 11.3176 11.3176 11.3802 11.3802 12.3135 12.3135 12.7767 12.7767 13.6838 13.6838 14.1343 14.1343 14.8350 14.8350 15.4497 15.4497 15.8119 15.8119 k = 0.0000 0.3000 0.2210 ( 3638 PWs) bands (ev): -41.1943 -41.1943 -41.1940 -41.1940 -18.7940 -18.7940 -18.7918 -18.7918 -16.7440 -16.7440 -16.7400 -16.7400 -16.6631 -16.6631 -16.6616 -16.6616 1.2471 1.2471 2.2374 2.2374 3.5717 3.5717 6.4960 6.4960 8.5428 8.5428 8.7184 8.7184 10.2432 10.2432 11.1528 11.1528 11.2439 11.2439 11.2855 11.2855 11.3956 11.3956 12.2808 12.2808 12.7307 12.7307 13.6679 13.6679 14.1885 14.1885 14.9166 14.9166 15.4644 15.4644 15.7702 15.7702 k = 0.0000 0.3111 0.2210 ( 3642 PWs) bands (ev): -41.1940 -41.1940 -41.1938 -41.1938 -18.7953 -18.7953 -18.7932 -18.7932 -16.7474 -16.7474 -16.7435 -16.7435 -16.6626 -16.6626 -16.6612 -16.6612 1.3120 1.3120 2.3138 2.3138 3.5497 3.5497 6.3504 6.3504 8.4912 8.4912 8.7708 8.7708 10.1706 10.1706 11.1447 11.1447 11.2424 11.2424 11.2735 11.2735 11.4112 11.4112 12.2562 12.2562 12.6842 12.6842 13.6522 13.6522 14.2481 14.2481 14.9996 14.9996 15.4816 15.4816 15.7267 15.7267 k = 0.0000 0.3222 0.2210 ( 3640 PWs) bands (ev): -41.1936 -41.1936 -41.1935 -41.1935 -18.7966 -18.7966 -18.7946 -18.7946 -16.7507 -16.7507 -16.7470 -16.7470 -16.6621 -16.6621 -16.6607 -16.6607 1.3786 1.3786 2.3923 2.3923 3.5246 3.5246 6.2051 6.2051 8.4462 8.4462 8.8240 8.8240 10.0984 10.0984 11.1359 11.1359 11.2041 11.2041 11.2904 11.2904 11.4269 11.4269 12.2404 12.2404 12.6372 12.6372 13.6361 13.6361 14.3126 14.3126 15.0841 15.0841 15.5010 15.5010 15.6828 15.6828 k = 0.0000 0.3333 0.2210 ( 3640 PWs) bands (ev): -41.1933 -41.1933 -41.1931 -41.1931 -18.7978 -18.7978 -18.7959 -18.7959 -16.7538 -16.7538 -16.7503 -16.7503 -16.6615 -16.6615 -16.6603 -16.6603 1.4466 1.4466 2.4725 2.4725 3.4963 3.4963 6.0605 6.0605 8.4081 8.4081 8.8766 8.8766 10.0279 10.0279 11.1239 11.1239 11.1638 11.1638 11.3038 11.3038 11.4431 11.4431 12.2339 12.2339 12.5896 12.5896 13.6189 13.6189 14.3814 14.3814 15.1700 15.1700 15.5221 15.5221 15.6402 15.6402 k = 0.0000 0.3444 0.2210 ( 3644 PWs) bands (ev): -41.1930 -41.1930 -41.1929 -41.1929 -18.7990 -18.7990 -18.7972 -18.7972 -16.7569 -16.7569 -16.7536 -16.7536 -16.6610 -16.6610 -16.6598 -16.6598 1.5161 1.5161 2.5540 2.5540 3.4654 3.4654 5.9168 5.9168 8.3773 8.3773 8.9269 8.9269 9.9605 9.9605 11.0961 11.0961 11.1362 11.1362 11.3118 11.3118 11.4597 11.4597 12.2368 12.2368 12.5414 12.5414 13.5999 13.5999 14.4541 14.4541 15.2567 15.2567 15.5439 15.5439 15.6012 15.6012 k = 0.0000 0.3556 0.2210 ( 3644 PWs) bands (ev): -41.1926 -41.1926 -41.1926 -41.1926 -18.8002 -18.8002 -18.7984 -18.7984 -16.7598 -16.7598 -16.7567 -16.7567 -16.6605 -16.6605 -16.6594 -16.6594 1.5868 1.5868 2.6363 2.6363 3.4322 3.4322 5.7742 5.7742 8.3537 8.3537 8.9730 8.9730 9.8985 9.8985 11.0496 11.0496 11.1249 11.1249 11.3142 11.3142 11.4772 11.4772 12.2484 12.2484 12.4934 12.4934 13.5785 13.5785 14.5302 14.5302 15.3426 15.3426 15.5529 15.5529 15.5813 15.5813 k = 0.0000 0.3667 0.2210 ( 3648 PWs) bands (ev): -41.1924 -41.1924 -41.1924 -41.1924 -18.8012 -18.8012 -18.7996 -18.7996 -16.7626 -16.7626 -16.7596 -16.7596 -16.6600 -16.6600 -16.6590 -16.6590 1.6588 1.6588 2.7182 2.7182 3.3981 3.3981 5.6328 5.6328 8.3373 8.3373 9.0123 9.0123 9.8446 9.8446 10.9967 10.9967 11.1179 11.1179 11.3114 11.3114 11.4955 11.4955 12.2668 12.2668 12.4470 12.4470 13.5541 13.5541 14.6089 14.6089 15.4218 15.4218 15.5333 15.5333 15.6025 15.6025 k = 0.0000 0.3778 0.2210 ( 3652 PWs) bands (ev): -41.1922 -41.1922 -41.1922 -41.1922 -18.8022 -18.8022 -18.8007 -18.8007 -16.7651 -16.7651 -16.7624 -16.7624 -16.6595 -16.6595 -16.6586 -16.6586 1.7319 1.7319 2.7978 2.7978 3.3649 3.3649 5.4928 5.4928 8.3281 8.3281 9.0414 9.0414 9.8023 9.8023 10.9404 10.9404 11.1126 11.1126 11.3041 11.3041 11.5149 11.5149 12.2859 12.2859 12.4078 12.4078 13.5261 13.5261 14.6897 14.6897 15.4626 15.4626 15.5453 15.5453 15.6359 15.6359 k = 0.0000 0.3889 0.2210 ( 3652 PWs) bands (ev): -41.1919 -41.1919 -41.1919 -41.1919 -18.8032 -18.8032 -18.8017 -18.8017 -16.7675 -16.7675 -16.7650 -16.7650 -16.6591 -16.6591 -16.6582 -16.6582 1.8058 1.8058 2.8708 2.8708 3.3371 3.3371 5.3543 5.3543 8.3260 8.3260 9.0567 9.0567 9.7755 9.7755 10.8816 10.8816 11.1086 11.1086 11.2933 11.2933 11.5356 11.5356 12.2862 12.2862 12.3943 12.3943 13.4940 13.4940 14.7720 14.7720 15.4547 15.4547 15.5908 15.5908 15.6893 15.6893 k = 0.0000 0.4000 0.2210 ( 3650 PWs) bands (ev): -41.1917 -41.1917 -41.1917 -41.1917 -18.8040 -18.8040 -18.8027 -18.8027 -16.7697 -16.7697 -16.7674 -16.7674 -16.6586 -16.6586 -16.6578 -16.6578 1.8807 1.8807 2.9293 2.9293 3.3227 3.3227 5.2174 5.2174 8.3307 8.3307 9.0556 9.0556 9.7671 9.7671 10.8206 10.8206 11.1058 11.1058 11.2797 11.2797 11.5577 11.5577 12.2548 12.2548 12.4188 12.4188 13.4576 13.4576 14.8549 14.8549 15.4415 15.4415 15.6215 15.6215 15.7664 15.7664 k = 0.0000 0.4111 0.2210 ( 3658 PWs) bands (ev): -41.1916 -41.1916 -41.1916 -41.1916 -18.8048 -18.8048 -18.8036 -18.8036 -16.7717 -16.7717 -16.7696 -16.7696 -16.6582 -16.6582 -16.6575 -16.6575 1.9561 1.9561 2.9611 2.9611 3.3341 3.3341 5.0823 5.0823 8.3420 8.3420 9.0375 9.0375 9.7775 9.7775 10.7579 10.7579 11.1043 11.1043 11.2644 11.2644 11.5814 11.5814 12.2098 12.2098 12.4624 12.4624 13.4168 13.4168 14.9379 14.9379 15.4326 15.4326 15.6394 15.6394 15.8501 15.8501 k = 0.0000 0.4222 0.2210 ( 3658 PWs) bands (ev): -41.1914 -41.1914 -41.1914 -41.1914 -18.8055 -18.8055 -18.8044 -18.8044 -16.7734 -16.7734 -16.7716 -16.7716 -16.6579 -16.6579 -16.6572 -16.6572 2.0321 2.0321 2.9593 2.9593 3.3784 3.3784 4.9489 4.9489 8.3597 8.3597 9.0049 9.0049 9.8048 9.8048 10.6934 10.6934 11.1041 11.1041 11.2480 11.2480 11.6067 11.6067 12.1612 12.1612 12.5144 12.5144 13.3715 13.3715 15.0200 15.0200 15.4297 15.4297 15.6489 15.6489 15.8716 15.8716 k = 0.0000 0.4333 0.2210 ( 3662 PWs) bands (ev): -41.1913 -41.1913 -41.1912 -41.1912 -18.8061 -18.8061 -18.8051 -18.8051 -16.7749 -16.7749 -16.7734 -16.7734 -16.6575 -16.6575 -16.6570 -16.6570 2.1084 2.1084 2.9302 2.9302 3.4494 3.4494 4.8174 4.8174 8.3834 8.3834 8.9613 8.9613 9.8454 9.8454 10.6276 10.6276 11.1052 11.1052 11.2312 11.2312 11.6338 11.6338 12.1120 12.1120 12.5716 12.5716 13.3219 13.3219 15.1004 15.1004 15.4332 15.4332 15.6510 15.6510 15.8327 15.8327 k = 0.0000 0.4444 0.2210 ( 3648 PWs) bands (ev): -41.1911 -41.1911 -41.1910 -41.1910 -18.8065 -18.8065 -18.8058 -18.8058 -16.7762 -16.7762 -16.7749 -16.7749 -16.6572 -16.6572 -16.6568 -16.6568 2.1848 2.1848 2.8844 2.8844 3.5368 3.5368 4.6879 4.6879 8.4128 8.4128 8.9104 8.9104 9.8957 9.8957 10.5606 10.5606 11.1079 11.1079 11.2145 11.2145 11.6629 11.6629 12.0631 12.0631 12.6322 12.6322 13.2684 13.2684 15.1783 15.1783 15.4430 15.4430 15.6454 15.6454 15.7899 15.7899 k = 0.0000 0.4556 0.2210 ( 3646 PWs) bands (ev): -41.1909 -41.1909 -41.1908 -41.1908 -18.8069 -18.8069 -18.8063 -18.8063 -16.7772 -16.7772 -16.7761 -16.7761 -16.6570 -16.6570 -16.6566 -16.6566 2.2611 2.2611 2.8288 2.8288 3.6341 3.6341 4.5605 4.5605 8.4475 8.4475 8.8554 8.8554 9.9529 9.9529 10.4925 10.4925 11.1120 11.1120 11.1983 11.1983 11.6939 11.6939 12.0151 12.0151 12.6954 12.6954 13.2115 13.2115 15.2525 15.2525 15.4588 15.4588 15.6318 15.6318 15.7469 15.7469 k = 0.0000 0.4667 0.2210 ( 3646 PWs) bands (ev): -41.1908 -41.1908 -41.1908 -41.1908 -18.8072 -18.8072 -18.8067 -18.8067 -16.7780 -16.7780 -16.7772 -16.7772 -16.6568 -16.6568 -16.6565 -16.6565 2.3370 2.3370 2.7669 2.7669 3.7378 3.7378 4.4352 4.4352 8.4871 8.4871 8.7984 8.7984 10.0148 10.0148 10.4237 10.4237 11.1176 11.1176 11.1829 11.1829 11.7270 11.7270 11.9684 11.9684 12.7603 12.7603 13.1515 13.1515 15.3221 15.3221 15.4801 15.4801 15.6106 15.6106 15.7047 15.7047 k = 0.0000 0.4778 0.2210 ( 3652 PWs) bands (ev): -41.1908 -41.1908 -41.1908 -41.1908 -18.8074 -18.8074 -18.8071 -18.8071 -16.7785 -16.7785 -16.7779 -16.7779 -16.6566 -16.6566 -16.6564 -16.6564 2.4124 2.4124 2.7007 2.7007 3.8461 3.8461 4.3121 4.3121 8.5312 8.5312 8.7412 8.7412 10.0800 10.0800 10.3545 10.3545 11.1248 11.1248 11.1686 11.1686 11.7621 11.7621 11.9234 11.9234 12.8263 12.8263 13.0891 13.0891 15.3859 15.3859 15.5049 15.5049 15.5835 15.5835 15.6635 15.6635 k = 0.0000 0.4889 0.2210 ( 3656 PWs) bands (ev): -41.1908 -41.1908 -41.1908 -41.1908 -18.8075 -18.8075 -18.8073 -18.8073 -16.7787 -16.7787 -16.7785 -16.7785 -16.6565 -16.6565 -16.6564 -16.6564 2.4869 2.4869 2.6315 2.6315 3.9582 3.9582 4.1915 4.1915 8.5793 8.5793 8.6850 8.6850 10.1472 10.1472 10.2850 10.2850 11.1335 11.1335 11.1555 11.1555 11.7994 11.7994 11.8801 11.8801 12.8928 12.8928 13.0247 13.0247 15.4426 15.4426 15.5200 15.5200 15.5641 15.5641 15.6235 15.6235 k = 0.0000 0.5000 0.2210 ( 3656 PWs) bands (ev): -41.1908 -41.1908 -41.1908 -41.1908 -18.8074 -18.8074 -18.8074 -18.8074 -16.7787 -16.7787 -16.7787 -16.7787 -16.6564 -16.6564 -16.6564 -16.6564 2.5601 2.5601 2.5601 2.5601 4.0735 4.0735 4.0735 4.0735 8.6308 8.6308 8.6308 8.6308 10.2158 10.2158 10.2158 10.2158 11.1438 11.1438 11.1438 11.1438 11.8387 11.8387 11.8387 11.8387 12.9591 12.9591 12.9591 12.9591 15.4907 15.4907 15.4907 15.4907 15.5865 15.5865 15.5865 15.5865 k = 0.0000 0.5000 0.2210 ( 3656 PWs) bands (ev): -41.1908 -41.1908 -41.1908 -41.1908 -18.8074 -18.8074 -18.8074 -18.8074 -16.7787 -16.7787 -16.7787 -16.7787 -16.6564 -16.6564 -16.6564 -16.6564 2.5601 2.5601 2.5601 2.5601 4.0735 4.0735 4.0735 4.0735 8.6308 8.6308 8.6308 8.6308 10.2158 10.2158 10.2158 10.2158 11.1438 11.1438 11.1438 11.1438 11.8387 11.8387 11.8387 11.8387 12.9591 12.9591 12.9591 12.9591 15.4907 15.4907 15.4907 15.4907 15.5865 15.5865 15.5865 15.5865 k = 0.0111 0.5000 0.2210 ( 3656 PWs) bands (ev): -41.1908 -41.1908 -41.1908 -41.1908 -18.8075 -18.8075 -18.8075 -18.8075 -16.7788 -16.7788 -16.7787 -16.7787 -16.6566 -16.6566 -16.6565 -16.6565 2.5606 2.5606 2.5607 2.5607 4.0743 4.0743 4.0752 4.0752 8.6315 8.6315 8.6318 8.6318 10.2078 10.2078 10.2165 10.2165 11.1409 11.1409 11.1510 11.1510 11.8315 11.8315 11.8404 11.8404 12.9493 12.9493 12.9594 12.9594 15.4596 15.4596 15.4988 15.4988 15.5783 15.5783 15.6066 15.6066 k = 0.0222 0.5000 0.2210 ( 3656 PWs) bands (ev): -41.1907 -41.1907 -41.1907 -41.1907 -18.8076 -18.8076 -18.8075 -18.8075 -16.7787 -16.7787 -16.7786 -16.7786 -16.6570 -16.6570 -16.6568 -16.6568 2.5623 2.5623 2.5625 2.5625 4.0778 4.0778 4.0795 4.0795 8.6338 8.6338 8.6344 8.6344 10.1930 10.1930 10.2099 10.2099 11.1423 11.1423 11.1619 11.1619 11.8187 11.8187 11.8365 11.8365 12.9304 12.9304 12.9504 12.9504 15.4165 15.4165 15.4732 15.4732 15.5931 15.5931 15.6286 15.6286 k = 0.0333 0.5000 0.2210 ( 3656 PWs) bands (ev): -41.1907 -41.1907 -41.1907 -41.1907 -18.8079 -18.8079 -18.8077 -18.8077 -16.7787 -16.7787 -16.7785 -16.7785 -16.6577 -16.6577 -16.6573 -16.6573 2.5651 2.5651 2.5654 2.5654 4.0839 4.0839 4.0865 4.0865 8.6378 8.6378 8.6386 8.6386 10.1722 10.1722 10.1963 10.1963 11.1477 11.1477 11.1759 11.1759 11.8001 11.8001 11.8269 11.8269 12.9029 12.9029 12.9325 12.9325 15.3639 15.3639 15.4269 15.4269 15.6190 15.6190 15.6516 15.6516 k = 0.0444 0.5000 0.2210 ( 3656 PWs) bands (ev): -41.1906 -41.1906 -41.1906 -41.1906 -18.8081 -18.8081 -18.8079 -18.8079 -16.7787 -16.7787 -16.7784 -16.7784 -16.6585 -16.6585 -16.6580 -16.6580 2.5691 2.5691 2.5694 2.5694 4.0926 4.0926 4.0960 4.0960 8.6432 8.6432 8.6442 8.6442 10.1463 10.1463 10.1767 10.1767 11.1564 11.1564 11.1918 11.1918 11.7757 11.7757 11.8116 11.8116 12.8679 12.8679 12.9067 12.9067 15.3032 15.3032 15.3688 15.3688 15.6490 15.6490 15.6764 15.6764 k = 0.0556 0.5000 0.2210 ( 3656 PWs) bands (ev): -41.1905 -41.1905 -41.1905 -41.1905 -18.8085 -18.8085 -18.8082 -18.8082 -16.7786 -16.7786 -16.7783 -16.7783 -16.6596 -16.6596 -16.6590 -16.6590 2.5741 2.5741 2.5746 2.5746 4.1040 4.1040 4.1082 4.1082 8.6498 8.6498 8.6508 8.6508 10.1165 10.1165 10.1519 10.1519 11.1675 11.1675 11.2086 11.2086 11.7452 11.7452 11.7904 11.7904 12.8266 12.8266 12.8741 12.8741 15.2362 15.2362 15.3030 15.3030 15.6810 15.6810 15.7032 15.7032 k = 0.0667 0.5000 0.2210 ( 3656 PWs) bands (ev): -41.1904 -41.1904 -41.1904 -41.1904 -18.8089 -18.8089 -18.8085 -18.8085 -16.7785 -16.7785 -16.7782 -16.7782 -16.6609 -16.6609 -16.6602 -16.6602 2.5803 2.5803 2.5809 2.5809 4.1179 4.1179 4.1229 4.1229 8.6572 8.6572 8.6581 8.6581 10.0841 10.0841 10.1232 10.1232 11.1796 11.1796 11.2248 11.2248 11.7087 11.7087 11.7633 11.7633 12.7805 12.7805 12.8359 12.8359 15.1650 15.1650 15.2322 15.2322 15.7143 15.7143 15.7316 15.7316 k = 0.0778 0.5000 0.2210 ( 3656 PWs) bands (ev): -41.1902 -41.1902 -41.1902 -41.1902 -18.8093 -18.8093 -18.8089 -18.8089 -16.7784 -16.7784 -16.7781 -16.7781 -16.6624 -16.6624 -16.6615 -16.6615 2.5876 2.5876 2.5882 2.5882 4.1345 4.1345 4.1403 4.1403 8.6651 8.6651 8.6657 8.6657 10.0502 10.0502 10.0919 10.0919 11.1915 11.1915 11.2388 11.2388 11.6665 11.6665 11.7308 11.7308 12.7309 12.7309 12.7932 12.7932 15.0919 15.0919 15.1589 15.1589 15.7479 15.7479 15.7611 15.7611 k = 0.0889 0.5000 0.2210 ( 3656 PWs) bands (ev): -41.1900 -41.1900 -41.1900 -41.1900 -18.8098 -18.8098 -18.8094 -18.8094 -16.7783 -16.7783 -16.7779 -16.7779 -16.6640 -16.6640 -16.6631 -16.6631 2.5959 2.5959 2.5966 2.5966 4.1537 4.1537 4.1602 4.1602 8.6729 8.6729 8.6730 8.6730 10.0160 10.0160 10.0592 10.0592 11.2014 11.2014 11.2487 11.2487 11.6194 11.6194 11.6939 11.6939 12.6790 12.6790 12.7473 12.7473 15.0189 15.0189 15.0852 15.0852 15.7810 15.7810 15.7909 15.7909 k = 0.1000 0.5000 0.2210 ( 3644 PWs) bands (ev): -41.1897 -41.1897 -41.1897 -41.1897 -18.8104 -18.8104 -18.8099 -18.8099 -16.7782 -16.7782 -16.7778 -16.7778 -16.6659 -16.6659 -16.6648 -16.6648 2.6052 2.6052 2.6060 2.6060 4.1754 4.1754 4.1828 4.1828 8.6793 8.6793 8.6801 8.6801 9.9828 9.9828 10.0265 10.0265 11.2067 11.2067 11.2517 11.2517 11.5690 11.5690 11.6543 11.6543 12.6260 12.6260 12.6990 12.6990 14.9477 14.9477 15.0131 15.0131 15.8130 15.8130 15.8202 15.8202 k = 0.1111 0.5000 0.2210 ( 3648 PWs) bands (ev): -41.1895 -41.1895 -41.1895 -41.1895 -18.8111 -18.8111 -18.8105 -18.8105 -16.7782 -16.7782 -16.7776 -16.7776 -16.6679 -16.6679 -16.6667 -16.6667 2.6154 2.6154 2.6163 2.6163 4.1998 4.1998 4.2080 4.2080 8.6840 8.6840 8.6859 8.6859 9.9518 9.9518 9.9950 9.9950 11.2036 11.2036 11.2442 11.2442 11.5188 11.5188 11.6155 11.6155 12.5725 12.5725 12.6490 12.6490 14.8798 14.8798 14.9441 14.9441 15.8433 15.8433 15.8484 15.8484 k = 0.1222 0.5000 0.2210 ( 3648 PWs) bands (ev): -41.1893 -41.1893 -41.1893 -41.1893 -18.8118 -18.8118 -18.8112 -18.8112 -16.7781 -16.7781 -16.7775 -16.7775 -16.6700 -16.6700 -16.6687 -16.6687 2.6266 2.6266 2.6276 2.6276 4.2269 4.2269 4.2358 4.2358 8.6862 8.6862 8.6895 8.6895 9.9242 9.9242 9.9659 9.9659 11.1864 11.1864 11.2218 11.2218 11.4743 11.4743 11.5816 11.5816 12.5190 12.5190 12.5979 12.5979 14.8166 14.8166 14.8794 14.8794 15.8714 15.8714 15.8750 15.8750 k = 0.1333 0.5000 0.2210 ( 3652 PWs) bands (ev): -41.1891 -41.1891 -41.1891 -41.1891 -18.8125 -18.8125 -18.8119 -18.8119 -16.7780 -16.7780 -16.7774 -16.7774 -16.6722 -16.6722 -16.6709 -16.6709 2.6387 2.6387 2.6398 2.6398 4.2565 4.2565 4.2661 4.2661 8.6850 8.6850 8.6902 8.6902 9.9009 9.9009 9.9404 9.9404 11.1493 11.1493 11.1811 11.1811 11.4415 11.4415 11.5562 11.5562 12.4658 12.4658 12.5459 12.5459 14.7589 14.7589 14.8201 14.8201 15.8970 15.8970 15.8996 15.8996 k = 0.1444 0.5000 0.2210 ( 3652 PWs) bands (ev): -41.1888 -41.1888 -41.1888 -41.1888 -18.8133 -18.8133 -18.8126 -18.8126 -16.7780 -16.7780 -16.7774 -16.7774 -16.6746 -16.6746 -16.6731 -16.6731 2.6516 2.6516 2.6528 2.6528 4.2887 4.2887 4.2991 4.2991 8.6797 8.6797 8.6872 8.6872 9.8830 9.8830 9.9194 9.9194 11.0909 11.0909 11.1220 11.1220 11.4221 11.4221 11.5401 11.5401 12.4128 12.4128 12.4932 12.4932 14.7077 14.7077 14.7670 14.7670 15.9200 15.9200 15.9221 15.9221 k = 0.1556 0.5000 0.2210 ( 3652 PWs) bands (ev): -41.1886 -41.1886 -41.1886 -41.1886 -18.8142 -18.8142 -18.8135 -18.8135 -16.7780 -16.7780 -16.7773 -16.7773 -16.6770 -16.6770 -16.6755 -16.6755 2.6653 2.6653 2.6665 2.6665 4.3235 4.3235 4.3346 4.3346 8.6696 8.6696 8.6796 8.6796 9.8711 9.8711 9.9037 9.9037 11.0151 11.0151 11.0473 11.0473 11.4130 11.4130 11.5314 11.5314 12.3599 12.3599 12.4398 12.4398 14.6633 14.6633 14.7207 14.7207 15.9403 15.9403 15.9422 15.9422 k = 0.1667 0.5000 0.2210 ( 3660 PWs) bands (ev): -41.1883 -41.1883 -41.1883 -41.1883 -18.8151 -18.8151 -18.8143 -18.8143 -16.7781 -16.7781 -16.7774 -16.7774 -16.6795 -16.6795 -16.6779 -16.6779 2.6797 2.6797 2.6810 2.6810 4.3610 4.3610 4.3727 4.3727 8.6543 8.6543 8.6670 8.6670 9.8654 9.8654 9.8936 9.8936 10.9274 10.9274 10.9607 10.9607 11.4094 11.4094 11.5271 11.5271 12.3069 12.3069 12.3859 12.3859 14.6261 14.6261 14.6815 14.6815 15.9578 15.9578 15.9598 15.9598 k = 0.1778 0.5000 0.2210 ( 3656 PWs) bands (ev): -41.1880 -41.1880 -41.1880 -41.1880 -18.8160 -18.8160 -18.8152 -18.8152 -16.7782 -16.7782 -16.7775 -16.7775 -16.6819 -16.6819 -16.6803 -16.6803 2.6948 2.6948 2.6961 2.6961 4.4010 4.4010 4.4133 4.4133 8.6336 8.6336 8.6491 8.6491 9.8659 9.8659 9.8890 9.8890 10.8324 10.8324 10.8660 10.8660 11.4082 11.4082 11.5252 11.5252 12.2538 12.2538 12.3315 12.3315 14.5964 14.5964 14.6497 14.6497 15.9725 15.9725 15.9750 15.9750 k = 0.1889 0.5000 0.2210 ( 3640 PWs) bands (ev): -41.1875 -41.1875 -41.1875 -41.1875 -18.8170 -18.8170 -18.8161 -18.8161 -16.7784 -16.7784 -16.7777 -16.7777 -16.6844 -16.6844 -16.6827 -16.6827 2.7105 2.7105 2.7118 2.7118 4.4436 4.4436 4.4565 4.4565 8.6074 8.6074 8.6257 8.6257 9.8714 9.8714 9.8888 9.8888 10.7336 10.7336 10.7665 10.7665 11.4076 11.4076 11.5239 11.5239 12.2003 12.2003 12.2766 12.2766 14.5739 14.5739 14.6251 14.6251 15.9846 15.9846 15.9876 15.9876 k = 0.2000 0.5000 0.2210 ( 3632 PWs) bands (ev): -41.1871 -41.1871 -41.1871 -41.1871 -18.8179 -18.8179 -18.8171 -18.8171 -16.7787 -16.7787 -16.7779 -16.7779 -16.6869 -16.6869 -16.6851 -16.6851 2.7267 2.7267 2.7281 2.7281 4.4887 4.4887 4.5023 4.5023 8.5762 8.5762 8.5971 8.5971 9.8803 9.8803 9.8912 9.8912 10.6347 10.6347 10.6656 10.6656 11.4065 11.4065 11.5223 11.5223 12.1464 12.1464 12.2214 12.2214 14.5587 14.5587 14.6077 14.6077 15.9939 15.9939 15.9978 15.9978 k = 0.2111 0.5000 0.2210 ( 3640 PWs) bands (ev): -41.1869 -41.1869 -41.1869 -41.1869 -18.8190 -18.8190 -18.8181 -18.8181 -16.7791 -16.7791 -16.7783 -16.7783 -16.6893 -16.6893 -16.6875 -16.6875 2.7434 2.7434 2.7448 2.7448 4.5364 4.5364 4.5506 4.5506 8.5404 8.5404 8.5637 8.5637 9.8891 9.8891 9.8923 9.8923 10.5404 10.5404 10.5674 10.5674 11.4044 11.4044 11.5198 11.5198 12.0923 12.0923 12.1660 12.1660 14.5502 14.5502 14.5972 14.5972 16.0006 16.0006 16.0055 16.0055 k = 0.2222 0.5000 0.2210 ( 3640 PWs) bands (ev): -41.1865 -41.1865 -41.1865 -41.1865 -18.8200 -18.8200 -18.8192 -18.8192 -16.7796 -16.7796 -16.7787 -16.7787 -16.6916 -16.6916 -16.6899 -16.6899 2.7604 2.7604 2.7619 2.7619 4.5866 4.5866 4.6013 4.6013 8.5006 8.5006 8.5260 8.5260 9.8858 9.8858 9.8920 9.8920 10.4572 10.4572 10.4782 10.4782 11.4009 11.4009 11.5161 11.5161 12.0382 12.0382 12.1108 12.1108 14.5481 14.5481 14.5932 14.5932 16.0048 16.0048 16.0107 16.0107 k = 0.2333 0.5000 0.2210 ( 3636 PWs) bands (ev): -41.1862 -41.1862 -41.1861 -41.1861 -18.8211 -18.8211 -18.8202 -18.8202 -16.7801 -16.7801 -16.7793 -16.7793 -16.6939 -16.6939 -16.6921 -16.6921 2.7778 2.7778 2.7793 2.7793 4.6393 4.6393 4.6545 4.6545 8.4575 8.4575 8.4846 8.4846 9.8630 9.8630 9.8802 9.8802 10.3943 10.3943 10.4071 10.4071 11.3958 11.3958 11.5111 11.5111 11.9841 11.9841 12.0560 12.0560 14.5520 14.5520 14.5951 14.5951 16.0068 16.0068 16.0136 16.0136 k = 0.2444 0.5000 0.2210 ( 3632 PWs) bands (ev): -41.1858 -41.1858 -41.1858 -41.1858 -18.8221 -18.8221 -18.8213 -18.8213 -16.7808 -16.7808 -16.7800 -16.7800 -16.6960 -16.6960 -16.6942 -16.6942 2.7954 2.7954 2.7969 2.7969 4.6945 4.6945 4.7102 4.7102 8.4118 8.4118 8.4402 8.4402 9.8155 9.8155 9.8436 9.8436 10.3599 10.3599 10.3643 10.3643 11.3892 11.3892 11.5045 11.5045 11.9304 11.9304 12.0019 12.0019 14.5612 14.5612 14.6024 14.6024 16.0066 16.0066 16.0144 16.0144 k = 0.2556 0.5000 0.2210 ( 3632 PWs) bands (ev): -41.1854 -41.1854 -41.1854 -41.1854 -18.8232 -18.8232 -18.8224 -18.8224 -16.7816 -16.7816 -16.7808 -16.7808 -16.6980 -16.6980 -16.6963 -16.6963 2.8132 2.8132 2.8147 2.8147 4.7521 4.7521 4.7683 4.7683 8.3639 8.3639 8.3933 8.3933 9.7420 9.7420 9.7779 9.7779 10.3537 10.3537 10.3550 10.3550 11.3810 11.3810 11.4963 11.4963 11.8775 11.8775 11.9488 11.9488 14.5752 14.5752 14.6146 14.6146 16.0047 16.0047 16.0132 16.0132 k = 0.2667 0.5000 0.2210 ( 3632 PWs) bands (ev): -41.1851 -41.1851 -41.1851 -41.1851 -18.8243 -18.8243 -18.8234 -18.8234 -16.7825 -16.7825 -16.7818 -16.7818 -16.6999 -16.6999 -16.6981 -16.6981 2.8311 2.8311 2.8326 2.8326 4.8122 4.8122 4.8287 4.8287 8.3145 8.3145 8.3447 8.3447 9.6485 9.6485 9.6887 9.6887 10.3700 10.3700 10.3738 10.3738 11.3712 11.3712 11.4866 11.4866 11.8256 11.8256 11.8971 11.8971 14.5933 14.5933 14.6309 14.6309 16.0013 16.0013 16.0103 16.0103 k = 0.2778 0.5000 0.2210 ( 3632 PWs) bands (ev): -41.1847 -41.1847 -41.1847 -41.1847 -18.8254 -18.8254 -18.8245 -18.8245 -16.7836 -16.7836 -16.7829 -16.7829 -16.7016 -16.7016 -16.6999 -16.6999 2.8489 2.8489 2.8504 2.8504 4.8745 4.8745 4.8915 4.8915 8.2640 8.2640 8.2947 8.2947 9.5421 9.5421 9.5841 9.5841 10.4047 10.4047 10.4089 10.4089 11.3600 11.3600 11.4753 11.4753 11.7753 11.7753 11.8471 11.8471 14.6149 14.6149 14.6506 14.6506 15.9967 15.9967 16.0060 16.0060 k = 0.2889 0.5000 0.2210 ( 3632 PWs) bands (ev): -41.1844 -41.1844 -41.1844 -41.1844 -18.8265 -18.8265 -18.8256 -18.8256 -16.7847 -16.7847 -16.7840 -16.7840 -16.7031 -16.7031 -16.7015 -16.7015 2.8667 2.8667 2.8682 2.8682 4.9392 4.9392 4.9565 4.9565 8.2129 8.2129 8.2437 8.2437 9.4281 9.4281 9.4708 9.4708 10.4511 10.4511 10.4547 10.4547 11.3474 11.3474 11.4624 11.4624 11.7268 11.7268 11.7989 11.7989 14.6391 14.6391 14.6729 14.6729 15.9914 15.9914 16.0006 16.0006 k = 0.3000 0.5000 0.2210 ( 3640 PWs) bands (ev): -41.1841 -41.1841 -41.1841 -41.1841 -18.8275 -18.8275 -18.8267 -18.8267 -16.7859 -16.7859 -16.7853 -16.7853 -16.7045 -16.7045 -16.7029 -16.7029 2.8842 2.8842 2.8857 2.8857 5.0061 5.0061 5.0237 5.0237 8.1613 8.1613 8.1922 8.1922 9.3101 9.3101 9.3528 9.3528 10.5051 10.5051 10.5077 10.5077 11.3336 11.3336 11.4478 11.4478 11.6807 11.6807 11.7530 11.7530 14.6652 14.6652 14.6971 14.6971 15.9857 15.9857 15.9946 15.9946 k = 0.3111 0.5000 0.2210 ( 3644 PWs) bands (ev): -41.1838 -41.1838 -41.1838 -41.1838 -18.8286 -18.8286 -18.8277 -18.8277 -16.7873 -16.7873 -16.7867 -16.7867 -16.7057 -16.7057 -16.7042 -16.7042 2.9015 2.9015 2.9030 2.9030 5.0752 5.0752 5.0931 5.0931 8.1095 8.1095 8.1402 8.1402 9.1903 9.1903 9.2326 9.2326 10.5640 10.5640 10.5655 10.5655 11.3187 11.3187 11.4314 11.4314 11.6375 11.6375 11.7095 11.7095 14.6925 14.6925 14.7224 14.7224 15.9802 15.9802 15.9884 15.9884 k = 0.3222 0.5000 0.2210 ( 3644 PWs) bands (ev): -41.1835 -41.1835 -41.1835 -41.1835 -18.8296 -18.8296 -18.8288 -18.8288 -16.7887 -16.7887 -16.7882 -16.7882 -16.7067 -16.7067 -16.7053 -16.7053 2.9185 2.9185 2.9199 2.9199 5.1463 5.1463 5.1644 5.1644 8.0577 8.0577 8.0880 8.0880 9.0703 9.0703 9.1121 9.1121 10.6260 10.6260 10.6264 10.6264 11.3030 11.3030 11.4131 11.4131 11.5977 11.5977 11.6687 11.6687 14.7200 14.7200 14.7478 14.7478 15.9754 15.9754 15.9826 15.9826 k = 0.3333 0.5000 0.2210 ( 3640 PWs) bands (ev): -41.1832 -41.1832 -41.1832 -41.1832 -18.8306 -18.8306 -18.8298 -18.8298 -16.7901 -16.7901 -16.7897 -16.7897 -16.7076 -16.7076 -16.7063 -16.7063 2.9350 2.9350 2.9364 2.9364 5.2194 5.2194 5.2376 5.2376 8.0059 8.0059 8.0355 8.0355 8.9513 8.9513 8.9924 8.9924 10.6891 10.6891 10.6898 10.6898 11.2866 11.2866 11.3929 11.3929 11.5617 11.5617 11.6306 11.6306 14.7470 14.7470 14.7724 14.7724 15.9719 15.9719 15.9777 15.9777 k = 0.3444 0.5000 0.2210 ( 3636 PWs) bands (ev): -41.1828 -41.1828 -41.1828 -41.1828 -18.8315 -18.8315 -18.8308 -18.8308 -16.7916 -16.7916 -16.7912 -16.7912 -16.7084 -16.7084 -16.7072 -16.7072 2.9510 2.9510 2.9523 2.9523 5.2942 5.2942 5.3126 5.3126 7.9540 7.9540 7.9827 7.9827 8.8346 8.8346 8.8748 8.8748 10.7525 10.7525 10.7543 10.7543 11.2699 11.2699 11.3707 11.3707 11.5299 11.5299 11.5954 11.5954 14.7725 14.7725 14.7955 14.7955 15.9703 15.9703 15.9744 15.9744 k = 0.3556 0.5000 0.2210 ( 3644 PWs) bands (ev): -41.1826 -41.1826 -41.1826 -41.1826 -18.8324 -18.8324 -18.8317 -18.8317 -16.7930 -16.7930 -16.7927 -16.7927 -16.7090 -16.7090 -16.7079 -16.7079 2.9663 2.9663 2.9676 2.9676 5.3708 5.3708 5.3892 5.3892 7.9018 7.9018 7.9294 7.9294 8.7212 8.7212 8.7602 8.7602 10.8157 10.8157 10.8185 10.8185 11.2532 11.2532 11.3472 11.3472 11.5022 11.5022 11.5631 11.5631 14.7957 14.7957 14.8162 14.8162 15.9710 15.9710 15.9732 15.9732 k = 0.3667 0.5000 0.2210 ( 3636 PWs) bands (ev): -41.1823 -41.1823 -41.1823 -41.1823 -18.8332 -18.8332 -18.8326 -18.8326 -16.7945 -16.7945 -16.7942 -16.7942 -16.7095 -16.7095 -16.7085 -16.7085 2.9809 2.9809 2.9822 2.9822 5.4487 5.4487 5.4672 5.4672 7.8490 7.8490 7.8750 7.8750 8.6123 8.6123 8.6499 8.6499 10.8775 10.8775 10.8814 10.8814 11.2372 11.2372 11.3229 11.3229 11.4784 11.4784 11.5337 11.5337 14.8160 14.8160 14.8338 14.8338 15.9745 15.9745 15.9748 15.9748 k = 0.3778 0.5000 0.2210 ( 3632 PWs) bands (ev): -41.1820 -41.1820 -41.1820 -41.1820 -18.8340 -18.8340 -18.8334 -18.8334 -16.7960 -16.7960 -16.7957 -16.7957 -16.7100 -16.7100 -16.7090 -16.7090 2.9948 2.9948 2.9960 2.9960 5.5279 5.5279 5.5462 5.5462 7.7952 7.7952 7.8192 7.8192 8.5091 8.5091 8.5449 8.5449 10.9367 10.9367 10.9419 10.9419 11.2226 11.2226 11.2990 11.2990 11.4580 11.4580 11.5072 11.5072 14.8327 14.8327 14.8478 14.8478 15.9794 15.9794 15.9811 15.9811 k = 0.3889 0.5000 0.2210 ( 3628 PWs) bands (ev): -41.1817 -41.1817 -41.1817 -41.1817 -18.8348 -18.8348 -18.8342 -18.8342 -16.7973 -16.7973 -16.7971 -16.7971 -16.7103 -16.7103 -16.7095 -16.7095 3.0078 3.0078 3.0088 3.0088 5.6079 5.6079 5.6260 5.6260 7.7397 7.7397 7.7613 7.7613 8.4131 8.4131 8.4465 8.4465 10.9916 10.9916 10.9988 10.9988 11.2106 11.2106 11.2768 11.2768 11.4404 11.4404 11.4835 11.4835 14.8454 14.8454 14.8579 14.8579 15.9872 15.9872 15.9908 15.9908 k = 0.4000 0.5000 0.2210 ( 3624 PWs) bands (ev): -41.1815 -41.1815 -41.1815 -41.1815 -18.8355 -18.8355 -18.8350 -18.8350 -16.7987 -16.7987 -16.7985 -16.7985 -16.7106 -16.7106 -16.7098 -16.7098 3.0198 3.0198 3.0208 3.0208 5.6882 5.6882 5.7060 5.7060 7.6822 7.6822 7.7007 7.7007 8.3255 8.3255 8.3559 8.3559 11.0391 11.0391 11.0497 11.0497 11.2040 11.2040 11.2585 11.2585 11.4254 11.4254 11.4625 11.4625 14.8542 14.8542 14.8642 14.8642 15.9982 15.9982 16.0034 16.0034 k = 0.4111 0.5000 0.2210 ( 3624 PWs) bands (ev): -41.1813 -41.1813 -41.1813 -41.1813 -18.8361 -18.8361 -18.8356 -18.8356 -16.7999 -16.7999 -16.7998 -16.7998 -16.7108 -16.7108 -16.7101 -16.7101 3.0307 3.0307 3.0316 3.0316 5.7684 5.7684 5.7857 5.7857 7.6222 7.6222 7.6373 7.6373 8.2476 8.2476 8.2745 8.2745 11.0743 11.0743 11.0911 11.0911 11.2072 11.2072 11.2474 11.2474 11.4125 11.4125 11.4441 11.4441 14.8592 14.8592 14.8670 14.8670 16.0118 16.0118 16.0182 16.0182 k = 0.4222 0.5000 0.2210 ( 3624 PWs) bands (ev): -41.1811 -41.1811 -41.1811 -41.1811 -18.8366 -18.8366 -18.8362 -18.8362 -16.8010 -16.8010 -16.8009 -16.8009 -16.7109 -16.7109 -16.7103 -16.7103 3.0406 3.0406 3.0414 3.0414 5.8476 5.8476 5.8642 5.8642 7.5598 7.5598 7.5712 7.5712 8.1801 8.1801 8.2032 8.2032 11.0926 11.0926 11.1170 11.1170 11.2244 11.2244 11.2492 11.2492 11.4016 11.4016 11.4282 11.4282 14.8608 14.8608 14.8668 14.8668 16.0274 16.0274 16.0345 16.0345 k = 0.4333 0.5000 0.2210 ( 3624 PWs) bands (ev): -41.1810 -41.1810 -41.1810 -41.1810 -18.8371 -18.8371 -18.8368 -18.8368 -16.8020 -16.8020 -16.8019 -16.8019 -16.7110 -16.7110 -16.7105 -16.7105 3.0493 3.0493 3.0500 3.0500 5.9248 5.9248 5.9404 5.9404 7.4960 7.4960 7.5037 7.5037 8.1232 8.1232 8.1423 8.1423 11.0972 11.0972 11.1249 11.1249 11.2516 11.2516 11.2658 11.2658 11.3928 11.3928 11.4149 11.4149 14.8599 14.8599 14.8643 14.8643 16.0441 16.0441 16.0514 16.0514 k = 0.4444 0.5000 0.2210 ( 3628 PWs) bands (ev): -41.1809 -41.1809 -41.1809 -41.1809 -18.8375 -18.8375 -18.8372 -18.8372 -16.8029 -16.8029 -16.8028 -16.8028 -16.7111 -16.7111 -16.7107 -16.7107 3.0568 3.0568 3.0574 3.0574 5.9984 5.9984 6.0128 6.0128 7.4321 7.4321 7.4366 7.4366 8.0769 8.0769 8.0921 8.0921 11.0955 11.0955 11.1213 11.1213 11.2811 11.2811 11.2900 11.2900 11.3862 11.3862 11.4042 11.4042 14.8572 14.8572 14.8602 14.8602 16.0608 16.0608 16.0678 16.0678 k = 0.4556 0.5000 0.2210 ( 3624 PWs) bands (ev): -41.1807 -41.1807 -41.1807 -41.1807 -18.8379 -18.8379 -18.8376 -18.8376 -16.8036 -16.8036 -16.8036 -16.8036 -16.7111 -16.7111 -16.7108 -16.7108 3.0630 3.0630 3.0635 3.0635 6.0664 6.0664 6.0791 6.0791 7.3710 7.3710 7.3728 7.3728 8.0405 8.0405 8.0520 8.0520 11.0920 11.0920 11.1136 11.1136 11.3075 11.3075 11.3135 11.3135 11.3824 11.3824 11.3964 11.3964 14.8535 14.8535 14.8555 14.8555 16.0764 16.0764 16.0826 16.0826 k = 0.4667 0.5000 0.2210 ( 3624 PWs) bands (ev): -41.1807 -41.1807 -41.1807 -41.1807 -18.8381 -18.8381 -18.8379 -18.8379 -16.8042 -16.8042 -16.8041 -16.8041 -16.7112 -16.7112 -16.7109 -16.7109 3.0679 3.0679 3.0682 3.0682 6.1260 6.1260 6.1364 6.1364 7.3160 7.3160 7.3161 7.3161 8.0132 8.0132 8.0215 8.0215 11.0888 11.0888 11.1052 11.1052 11.3277 11.3277 11.3315 11.3315 11.3821 11.3821 11.3920 11.3920 14.8496 14.8496 14.8509 14.8509 16.0900 16.0900 16.0950 16.0950 k = 0.4778 0.5000 0.2210 ( 3624 PWs) bands (ev): -41.1806 -41.1806 -41.1806 -41.1806 -18.8383 -18.8383 -18.8382 -18.8382 -16.8046 -16.8046 -16.8046 -16.8046 -16.7112 -16.7112 -16.7110 -16.7110 3.0714 3.0714 3.0716 3.0716 6.1737 6.1737 6.1811 6.1811 7.2708 7.2708 7.2715 7.2715 7.9946 7.9946 7.9999 7.9999 11.0868 11.0868 11.0978 11.0978 11.3402 11.3402 11.3418 11.3418 11.3856 11.3856 11.3913 11.3913 14.8464 14.8464 14.8471 14.8471 16.1006 16.1006 16.1042 16.1042 k = 0.4889 0.5000 0.2210 ( 3624 PWs) bands (ev): -41.1806 -41.1806 -41.1806 -41.1806 -18.8384 -18.8384 -18.8383 -18.8383 -16.8048 -16.8048 -16.8048 -16.8048 -16.7111 -16.7111 -16.7111 -16.7111 3.0735 3.0735 3.0737 3.0737 6.2054 6.2054 6.2094 6.2094 7.2414 7.2414 7.2420 7.2420 7.9841 7.9841 7.9867 7.9867 11.0866 11.0866 11.0921 11.0921 11.3459 11.3459 11.3462 11.3462 11.3902 11.3902 11.3926 11.3926 14.8442 14.8442 14.8446 14.8446 16.1077 16.1077 16.1095 16.1095 k = 0.5000 0.5000 0.2210 ( 3632 PWs) bands (ev): -41.1806 -41.1806 -41.1806 -41.1806 -18.8384 -18.8384 -18.8384 -18.8384 -16.8049 -16.8049 -16.8049 -16.8049 -16.7111 -16.7111 -16.7111 -16.7111 3.0743 3.0743 3.0743 3.0743 6.2178 6.2178 6.2178 6.2178 7.2314 7.2314 7.2314 7.2314 7.9815 7.9815 7.9815 7.9815 11.0884 11.0884 11.0884 11.0884 11.3473 11.3473 11.3473 11.3473 11.3928 11.3928 11.3928 11.3928 14.8436 14.8436 14.8436 14.8436 16.1107 16.1107 16.1107 16.1107 k = 0.5000 0.5000 0.2210 ( 3632 PWs) bands (ev): -41.1806 -41.1806 -41.1806 -41.1806 -18.8384 -18.8384 -18.8384 -18.8384 -16.8049 -16.8049 -16.8049 -16.8049 -16.7111 -16.7111 -16.7111 -16.7111 3.0743 3.0743 3.0743 3.0743 6.2178 6.2178 6.2178 6.2178 7.2314 7.2314 7.2314 7.2314 7.9815 7.9815 7.9815 7.9815 11.0884 11.0884 11.0884 11.0884 11.3473 11.3473 11.3473 11.3473 11.3928 11.3928 11.3928 11.3928 14.8436 14.8436 14.8436 14.8436 16.1107 16.1107 16.1107 16.1107 k = 0.4922 0.4922 0.2210 ( 3628 PWs) bands (ev): -41.1806 -41.1806 -41.1806 -41.1806 -18.8384 -18.8384 -18.8383 -18.8383 -16.8048 -16.8048 -16.8048 -16.8048 -16.7111 -16.7111 -16.7111 -16.7111 3.0722 3.0722 3.0750 3.0750 6.1960 6.1960 6.2192 6.2192 7.2283 7.2283 7.2546 7.2546 7.9823 7.9823 7.9884 7.9884 11.0866 11.0866 11.0921 11.0921 11.3457 11.3457 11.3465 11.3465 11.3900 11.3900 11.3927 11.3927 14.8441 14.8441 14.8448 14.8448 16.1071 16.1071 16.1101 16.1101 k = 0.4844 0.4844 0.2210 ( 3624 PWs) bands (ev): -41.1806 -41.1806 -41.1806 -41.1806 -18.8383 -18.8383 -18.8382 -18.8382 -16.8046 -16.8046 -16.8046 -16.8046 -16.7112 -16.7112 -16.7110 -16.7110 3.0661 3.0661 3.0770 3.0770 6.1362 6.1362 6.2230 6.2230 7.2197 7.2197 7.3191 7.3191 7.9854 7.9854 8.0078 8.0078 11.0865 11.0865 11.0981 11.0981 11.3406 11.3406 11.3435 11.3435 11.3838 11.3838 11.3912 11.3912 14.8455 14.8455 14.8481 14.8481 16.0974 16.0974 16.1075 16.1075 k = 0.4766 0.4766 0.2210 ( 3624 PWs) bands (ev): -41.1807 -41.1807 -41.1806 -41.1806 -18.8381 -18.8381 -18.8379 -18.8379 -16.8042 -16.8042 -16.8042 -16.8042 -16.7112 -16.7112 -16.7109 -16.7109 3.0559 3.0559 3.0803 3.0803 6.0492 6.0492 6.2292 6.2292 7.2065 7.2065 7.4140 7.4140 7.9907 7.9907 8.0389 8.0389 11.0875 11.0875 11.1061 11.1061 11.3310 11.3310 11.3366 11.3366 11.3768 11.3768 11.3895 11.3895 14.8477 14.8477 14.8533 14.8533 16.0817 16.0817 16.1030 16.1030 k = 0.4688 0.4687 0.2210 ( 3620 PWs) bands (ev): -41.1807 -41.1807 -41.1807 -41.1807 -18.8379 -18.8379 -18.8376 -18.8376 -16.8036 -16.8036 -16.8036 -16.8036 -16.7111 -16.7111 -16.7108 -16.7108 3.0416 3.0416 3.0849 3.0849 5.9448 5.9448 6.2380 6.2380 7.1904 7.1904 7.5293 7.5293 7.9981 7.9981 8.0800 8.0800 11.0887 11.0887 11.1159 11.1159 11.3143 11.3143 11.3257 11.3257 11.3724 11.3724 11.3881 11.3881 14.8504 14.8504 14.8600 14.8600 16.0607 16.0607 16.0969 16.0969 k = 0.4609 0.4609 0.2210 ( 3624 PWs) bands (ev): -41.1809 -41.1809 -41.1808 -41.1808 -18.8375 -18.8375 -18.8372 -18.8372 -16.8028 -16.8028 -16.8028 -16.8028 -16.7111 -16.7111 -16.7107 -16.7107 3.0233 3.0233 3.0907 3.0907 5.8301 5.8301 6.2492 6.2492 7.1730 7.1730 7.6580 7.6580 8.0076 8.0076 8.1296 8.1296 11.0884 11.0884 11.1271 11.1271 11.2895 11.2895 11.3136 11.3136 11.3712 11.3712 11.3874 11.3874 14.8533 14.8533 14.8676 14.8676 16.0351 16.0351 16.0892 16.0892 k = 0.4531 0.4531 0.2210 ( 3624 PWs) bands (ev): -41.1810 -41.1810 -41.1810 -41.1810 -18.8371 -18.8371 -18.8368 -18.8368 -16.8019 -16.8019 -16.8019 -16.8019 -16.7111 -16.7111 -16.7106 -16.7106 3.0010 3.0010 3.0977 3.0977 5.7095 5.7095 6.2630 6.2630 7.1557 7.1557 7.7956 7.7956 8.0192 8.0192 8.1861 8.1861 11.0843 11.0843 11.1380 11.1380 11.2591 11.2591 11.3034 11.3034 11.3722 11.3722 11.3874 11.3874 14.8562 14.8562 14.8755 14.8755 16.0056 16.0056 16.0799 16.0799 k = 0.4453 0.4453 0.2210 ( 3628 PWs) bands (ev): -41.1812 -41.1812 -41.1812 -41.1812 -18.8367 -18.8367 -18.8362 -18.8362 -16.8009 -16.8009 -16.8008 -16.8008 -16.7110 -16.7110 -16.7105 -16.7105 2.9749 2.9749 3.1058 3.1058 5.5855 5.5855 6.2792 6.2792 7.1397 7.1397 7.9389 7.9389 8.0335 8.0335 8.2484 8.2484 11.0736 11.0736 11.1446 11.1446 11.2283 11.2283 11.2980 11.2980 11.3748 11.3748 11.3879 11.3879 14.8586 14.8586 14.8830 14.8830 15.9730 15.9730 16.0693 16.0693 k = 0.4375 0.4375 0.2210 ( 3620 PWs) bands (ev): -41.1813 -41.1813 -41.1812 -41.1812 -18.8361 -18.8361 -18.8356 -18.8356 -16.7996 -16.7996 -16.7996 -16.7996 -16.7110 -16.7110 -16.7103 -16.7103 2.9449 2.9449 3.1149 3.1149 5.4600 5.4600 6.2979 6.2979 7.1259 7.1259 8.0456 8.0456 8.0908 8.0908 8.3155 8.3155 11.0540 11.0540 11.1332 11.1332 11.2113 11.2113 11.3000 11.3000 11.3789 11.3789 11.3890 11.3890 14.8605 14.8605 14.8894 14.8894 15.9380 15.9380 16.0573 16.0573 k = 0.4297 0.4297 0.2210 ( 3622 PWs) bands (ev): -41.1815 -41.1815 -41.1814 -41.1814 -18.8354 -18.8354 -18.8349 -18.8349 -16.7982 -16.7982 -16.7982 -16.7982 -16.7109 -16.7109 -16.7102 -16.7102 2.9113 2.9113 3.1249 3.1249 5.3340 5.3340 6.3190 6.3190 7.1151 7.1151 8.0651 8.0651 8.2400 8.2400 8.3870 8.3870 11.0251 11.0251 11.0967 11.0967 11.2159 11.2159 11.3097 11.3097 11.3846 11.3846 11.3904 11.3904 14.8617 14.8617 14.8942 14.8942 15.9012 15.9012 16.0442 16.0442 k = 0.4219 0.4219 0.2210 ( 3630 PWs) bands (ev): -41.1818 -41.1818 -41.1817 -41.1817 -18.8347 -18.8347 -18.8341 -18.8341 -16.7967 -16.7967 -16.7966 -16.7966 -16.7108 -16.7108 -16.7100 -16.7100 2.8740 2.8740 3.1356 3.1356 5.2084 5.2084 6.3426 6.3426 7.1078 7.1078 8.0851 8.0851 8.3901 8.3901 8.4650 8.4650 10.9879 10.9879 11.0475 11.0475 11.2300 11.2300 11.3260 11.3260 11.3918 11.3918 11.3928 11.3928 14.8622 14.8622 14.8969 14.8969 15.8630 15.8630 16.0301 16.0301 k = 0.4141 0.4141 0.2210 ( 3644 PWs) bands (ev): -41.1822 -41.1822 -41.1821 -41.1821 -18.8340 -18.8340 -18.8333 -18.8333 -16.7950 -16.7950 -16.7949 -16.7949 -16.7107 -16.7107 -16.7098 -16.7098 2.8334 2.8334 3.1469 3.1469 5.0837 5.0837 6.3687 6.3687 7.1044 7.1044 8.1070 8.1070 8.5168 8.5168 8.5710 8.5710 10.9439 10.9439 10.9927 10.9927 11.2469 11.2469 11.3469 11.3469 11.3943 11.3943 11.4029 11.4029 14.8622 14.8622 14.8974 14.8974 15.8240 15.8240 16.0150 16.0150 k = 0.4062 0.4062 0.2210 ( 3644 PWs) bands (ev): -41.1824 -41.1824 -41.1824 -41.1824 -18.8331 -18.8331 -18.8323 -18.8323 -16.7931 -16.7931 -16.7930 -16.7930 -16.7106 -16.7106 -16.7096 -16.7096 2.7894 2.7894 3.1586 3.1586 4.9604 4.9604 6.3972 6.3972 7.1052 7.1052 8.1308 8.1308 8.6041 8.6041 8.7201 8.7201 10.8941 10.8941 10.9348 10.9348 11.2644 11.2644 11.3709 11.3709 11.3969 11.3969 11.4169 11.4169 14.8619 14.8619 14.8959 14.8959 15.7844 15.7844 15.9992 15.9992 k = 0.3984 0.3984 0.2210 ( 3646 PWs) bands (ev): -41.1827 -41.1827 -41.1827 -41.1827 -18.8322 -18.8322 -18.8313 -18.8313 -16.7911 -16.7911 -16.7910 -16.7910 -16.7105 -16.7105 -16.7094 -16.7094 2.7424 2.7424 3.1705 3.1705 4.8390 4.8390 6.4282 6.4282 7.1103 7.1103 8.1567 8.1567 8.6857 8.6857 8.8777 8.8777 10.8389 10.8389 10.8760 10.8760 11.2809 11.2809 11.3949 11.3949 11.4016 11.4016 11.4352 11.4352 14.8616 14.8616 14.8929 14.8929 15.7446 15.7446 15.9827 15.9827 k = 0.3906 0.3906 0.2210 ( 3650 PWs) bands (ev): -41.1831 -41.1831 -41.1830 -41.1830 -18.8312 -18.8312 -18.8303 -18.8303 -16.7890 -16.7890 -16.7889 -16.7889 -16.7103 -16.7103 -16.7091 -16.7091 2.6924 2.6924 3.1822 3.1822 4.7198 4.7198 6.4616 6.4616 7.1199 7.1199 8.1845 8.1845 8.7674 8.7674 9.0374 9.0374 10.7786 10.7786 10.8175 10.8175 11.2958 11.2958 11.4018 11.4018 11.4248 11.4248 11.4581 11.4581 14.8612 14.8612 14.8895 14.8895 15.7047 15.7047 15.9656 15.9656 k = 0.3828 0.3828 0.2210 ( 3646 PWs) bands (ev): -41.1834 -41.1834 -41.1833 -41.1833 -18.8301 -18.8301 -18.8291 -18.8291 -16.7867 -16.7867 -16.7866 -16.7866 -16.7101 -16.7101 -16.7089 -16.7089 2.6397 2.6397 3.1934 3.1934 4.6032 4.6032 6.4974 6.4974 7.1339 7.1339 8.2142 8.2142 8.8499 8.8499 9.1978 9.1978 10.7138 10.7138 10.7600 10.7600 11.3085 11.3085 11.4054 11.4054 11.4526 11.4526 11.4852 11.4852 14.8602 14.8602 14.8878 14.8878 15.6649 15.6649 15.9481 15.9481 k = 0.3750 0.3750 0.2210 ( 3642 PWs) bands (ev): -41.1837 -41.1837 -41.1836 -41.1836 -18.8290 -18.8290 -18.8279 -18.8279 -16.7843 -16.7843 -16.7841 -16.7841 -16.7100 -16.7100 -16.7086 -16.7086 2.5846 2.5846 3.2038 3.2038 4.4897 4.4897 6.5356 6.5356 7.1524 7.1524 8.2459 8.2459 8.9331 8.9331 9.3584 9.3584 10.6461 10.6461 10.7034 10.7034 11.3193 11.3193 11.4091 11.4091 11.4812 11.4812 11.5158 11.5158 14.8576 14.8576 14.8901 14.8901 15.6254 15.6254 15.9302 15.9302 k = 0.3672 0.3672 0.2210 ( 3642 PWs) bands (ev): -41.1840 -41.1840 -41.1839 -41.1839 -18.8278 -18.8278 -18.8267 -18.8267 -16.7817 -16.7817 -16.7816 -16.7816 -16.7098 -16.7098 -16.7083 -16.7083 2.5271 2.5271 3.2126 3.2126 4.3798 4.3798 6.5762 6.5762 7.1751 7.1751 8.2795 8.2795 9.0171 9.0171 9.5186 9.5186 10.5763 10.5763 10.6478 10.6478 11.3284 11.3284 11.4131 11.4131 11.5096 11.5096 11.5497 11.5497 14.8539 14.8539 14.8976 14.8976 15.5862 15.5862 15.9120 15.9120 k = 0.3594 0.3594 0.2210 ( 3642 PWs) bands (ev): -41.1844 -41.1844 -41.1843 -41.1843 -18.8266 -18.8266 -18.8254 -18.8254 -16.7790 -16.7790 -16.7789 -16.7789 -16.7095 -16.7095 -16.7080 -16.7080 2.4676 2.4676 3.2193 3.2193 4.2742 4.2742 6.6192 6.6192 7.2021 7.2021 8.3149 8.3149 9.1017 9.1017 9.6777 9.6777 10.5055 10.5055 10.5939 10.5939 11.3364 11.3364 11.4173 11.4173 11.5366 11.5366 11.5868 11.5868 14.8506 14.8506 14.9105 14.9105 15.5475 15.5475 15.8936 15.8936 k = 0.3516 0.3516 0.2210 ( 3646 PWs) bands (ev): -41.1848 -41.1848 -41.1847 -41.1847 -18.8253 -18.8253 -18.8240 -18.8240 -16.7763 -16.7763 -16.7761 -16.7761 -16.7093 -16.7093 -16.7076 -16.7076 2.4062 2.4062 3.2227 3.2227 4.1738 4.1738 6.6645 6.6645 7.2331 7.2331 8.3523 8.3523 9.1868 9.1868 9.8344 9.8344 10.4341 10.4341 10.5426 10.5426 11.3436 11.3436 11.4219 11.4219 11.5615 11.5615 11.6271 11.6271 14.8489 14.8489 14.9288 14.9288 15.5092 15.5092 15.8750 15.8750 k = 0.3438 0.3437 0.2210 ( 3640 PWs) bands (ev): -41.1852 -41.1852 -41.1851 -41.1851 -18.8239 -18.8239 -18.8226 -18.8226 -16.7733 -16.7733 -16.7731 -16.7731 -16.7091 -16.7091 -16.7073 -16.7073 2.3433 2.3433 3.2218 3.2218 4.0798 4.0798 6.7121 6.7121 7.2678 7.2678 8.3914 8.3914 9.2722 9.2722 9.9862 9.9862 10.3629 10.3629 10.4967 10.4967 11.3503 11.3503 11.4269 11.4269 11.5836 11.5836 11.6703 11.6703 14.8500 14.8500 14.9528 14.9528 15.4715 15.4715 15.8563 15.8563 k = 0.3359 0.3359 0.2210 ( 3644 PWs) bands (ev): -41.1856 -41.1856 -41.1855 -41.1855 -18.8225 -18.8225 -18.8211 -18.8211 -16.7703 -16.7703 -16.7701 -16.7701 -16.7088 -16.7088 -16.7069 -16.7069 2.2789 2.2789 3.2148 3.2148 3.9936 3.9936 6.7621 6.7621 7.3061 7.3061 8.4324 8.4324 9.3579 9.3579 10.1251 10.1251 10.2929 10.2929 10.4635 10.4635 11.3567 11.3567 11.4321 11.4321 11.6029 11.6029 11.7160 11.7160 14.8545 14.8545 14.9827 14.9827 15.4342 15.4342 15.8375 15.8375 k = 0.3281 0.3281 0.2210 ( 3644 PWs) bands (ev): -41.1861 -41.1861 -41.1859 -41.1859 -18.8211 -18.8211 -18.8196 -18.8196 -16.7672 -16.7672 -16.7670 -16.7670 -16.7085 -16.7085 -16.7065 -16.7065 2.2134 2.2134 3.2001 3.2001 3.9171 3.9171 6.8144 6.8144 7.3477 7.3477 8.4751 8.4751 9.4433 9.4433 10.2078 10.2078 10.2419 10.2419 10.4695 10.4695 11.3630 11.3630 11.4376 11.4376 11.6192 11.6192 11.7639 11.7639 14.8632 14.8632 15.0186 15.0186 15.3975 15.3975 15.8186 15.8186 k = 0.3203 0.3203 0.2210 ( 3640 PWs) bands (ev): -41.1865 -41.1865 -41.1863 -41.1863 -18.8196 -18.8196 -18.8180 -18.8180 -16.7640 -16.7640 -16.7637 -16.7637 -16.7082 -16.7082 -16.7061 -16.7061 2.1469 2.1469 3.1757 3.1757 3.8518 3.8518 6.8689 6.8689 7.3921 7.3921 8.5196 8.5196 9.5281 9.5281 10.1512 10.1512 10.2553 10.2553 10.5532 10.5532 11.3692 11.3692 11.4435 11.4435 11.6325 11.6325 11.8136 11.8136 14.8764 14.8764 15.0605 15.0605 15.3614 15.3614 15.7997 15.7997 k = 0.3125 0.3125 0.2210 ( 3634 PWs) bands (ev): -41.1869 -41.1869 -41.1867 -41.1867 -18.8181 -18.8181 -18.8164 -18.8164 -16.7607 -16.7607 -16.7604 -16.7604 -16.7079 -16.7079 -16.7057 -16.7057 2.0797 2.0797 3.1404 3.1404 3.7991 3.7991 6.9257 6.9257 7.4392 7.4392 8.5658 8.5658 9.6111 9.6111 10.0877 10.0877 10.2333 10.2333 10.6835 10.6835 11.3755 11.3755 11.4497 11.4497 11.6430 11.6430 11.8650 11.8650 14.8946 14.8946 15.1082 15.1082 15.3260 15.3260 15.7807 15.7807 k = 0.3047 0.3047 0.2210 ( 3630 PWs) bands (ev): -41.1873 -41.1873 -41.1871 -41.1871 -18.8165 -18.8165 -18.8148 -18.8148 -16.7573 -16.7573 -16.7570 -16.7570 -16.7075 -16.7075 -16.7053 -16.7053 2.0120 2.0120 3.0940 3.0940 3.7591 3.7591 6.9847 6.9847 7.4884 7.4884 8.6136 8.6136 9.6891 9.6891 10.0304 10.0304 10.2002 10.2002 10.8263 10.8263 11.3820 11.3820 11.4562 11.4562 11.6509 11.6509 11.9177 11.9177 14.9177 14.9177 15.1604 15.1604 15.2921 15.2921 15.7618 15.7618 k = 0.2969 0.2969 0.2210 ( 3634 PWs) bands (ev): -41.1879 -41.1879 -41.1876 -41.1876 -18.8149 -18.8149 -18.8131 -18.8131 -16.7538 -16.7538 -16.7535 -16.7535 -16.7072 -16.7072 -16.7049 -16.7049 1.9439 1.9439 3.0374 3.0374 3.7307 3.7307 7.0459 7.0459 7.5394 7.5394 8.6630 8.6630 9.7531 9.7531 9.9894 9.9894 10.1654 10.1654 10.9716 10.9716 11.3887 11.3887 11.4631 11.4631 11.6566 11.6566 11.9716 11.9716 14.9457 14.9457 15.2106 15.2106 15.2659 15.2659 15.7428 15.7428 k = 0.2891 0.2891 0.2210 ( 3642 PWs) bands (ev): -41.1884 -41.1884 -41.1881 -41.1881 -18.8133 -18.8133 -18.8114 -18.8114 -16.7503 -16.7503 -16.7500 -16.7500 -16.7068 -16.7068 -16.7044 -16.7044 1.8756 1.8756 2.9726 2.9726 3.7118 3.7118 7.1093 7.1093 7.5916 7.5916 8.7140 8.7140 9.7794 9.7794 9.9885 9.9885 10.1320 10.1320 11.1160 11.1160 11.3961 11.3961 11.4704 11.4704 11.6605 11.6605 12.0264 12.0264 14.9783 14.9783 15.2101 15.2101 15.2955 15.2955 15.7237 15.7237 k = 0.2812 0.2812 0.2210 ( 3642 PWs) bands (ev): -41.1889 -41.1889 -41.1886 -41.1886 -18.8116 -18.8116 -18.8097 -18.8097 -16.7467 -16.7467 -16.7463 -16.7463 -16.7064 -16.7064 -16.7039 -16.7039 1.8074 1.8074 2.9017 2.9017 3.7001 3.7001 7.1749 7.1749 7.6445 7.6445 8.7665 8.7665 9.7587 9.7587 10.0375 10.0375 10.1012 10.1012 11.2563 11.2563 11.4057 11.4057 11.4784 11.4784 11.6632 11.6632 12.0822 12.0822 15.0143 15.0143 15.1803 15.1803 15.3594 15.3594 15.7047 15.7047 k = 0.2734 0.2734 0.2210 ( 3640 PWs) bands (ev): -41.1894 -41.1894 -41.1891 -41.1891 -18.8100 -18.8100 -18.8079 -18.8079 -16.7431 -16.7431 -16.7427 -16.7427 -16.7059 -16.7059 -16.7035 -16.7035 1.7393 1.7393 2.8269 2.8269 3.6936 3.6936 7.2425 7.2425 7.6974 7.6974 8.8204 8.8204 9.7171 9.7171 10.0736 10.0736 10.1108 10.1108 11.3728 11.3728 11.4338 11.4338 11.4898 11.4898 11.6653 11.6653 12.1386 12.1386 15.0507 15.0507 15.1508 15.1508 15.4291 15.4291 15.6856 15.6856 k = 0.2656 0.2656 0.2210 ( 3642 PWs) bands (ev): -41.1899 -41.1899 -41.1896 -41.1896 -18.8083 -18.8083 -18.8062 -18.8062 -16.7394 -16.7394 -16.7390 -16.7390 -16.7054 -16.7054 -16.7030 -16.7030 1.6716 1.6716 2.7496 2.7496 3.6907 3.6907 7.3123 7.3123 7.7496 7.7496 8.8758 8.8758 9.6712 9.6712 10.0501 10.0501 10.1916 10.1916 11.4043 11.4043 11.4851 11.4851 11.5606 11.5606 11.6675 11.6675 12.1957 12.1957 15.0725 15.0725 15.1377 15.1377 15.5013 15.5013 15.6665 15.6665 k = 0.2578 0.2578 0.2210 ( 3630 PWs) bands (ev): -41.1903 -41.1903 -41.1899 -41.1899 -18.8065 -18.8065 -18.8044 -18.8044 -16.7358 -16.7358 -16.7352 -16.7352 -16.7049 -16.7049 -16.7024 -16.7024 1.6044 1.6044 2.6711 2.6711 3.6900 3.6900 7.3840 7.3840 7.8004 7.8004 8.9326 8.9326 9.6267 9.6267 10.0306 10.0306 10.2748 10.2748 11.4141 11.4141 11.4963 11.4963 11.6699 11.6699 11.6913 11.6913 12.2533 12.2533 15.0561 15.0561 15.1634 15.1634 15.5741 15.5741 15.6478 15.6478 k = 0.2500 0.2500 0.2210 ( 3626 PWs) bands (ev): -41.1908 -41.1908 -41.1904 -41.1904 -18.8048 -18.8048 -18.8026 -18.8026 -16.7321 -16.7321 -16.7314 -16.7314 -16.7044 -16.7044 -16.7019 -16.7019 1.5378 1.5378 2.5924 2.5924 3.6907 3.6907 7.4578 7.4578 7.8488 7.8488 8.9906 8.9906 9.5862 9.5862 10.0154 10.0154 10.3581 10.3581 11.4216 11.4216 11.5048 11.5048 11.6753 11.6753 11.8231 11.8231 12.3113 12.3113 15.0244 15.0244 15.2028 15.2028 15.6239 15.6239 15.6516 15.6516 k = 0.2422 0.2422 0.2210 ( 3626 PWs) bands (ev): -41.1913 -41.1913 -41.1909 -41.1909 -18.8031 -18.8031 -18.8009 -18.8009 -16.7284 -16.7284 -16.7276 -16.7276 -16.7038 -16.7038 -16.7014 -16.7014 1.4720 1.4720 2.5139 2.5139 3.6920 3.6920 7.5336 7.5336 7.8939 7.8939 9.0499 9.0499 9.5511 9.5511 10.0047 10.0047 10.4401 10.4401 11.4283 11.4283 11.5128 11.5128 11.6831 11.6831 11.9532 11.9532 12.3697 12.3697 14.9892 14.9892 15.2414 15.2414 15.6070 15.6070 15.7199 15.7199 k = 0.2344 0.2344 0.2210 ( 3630 PWs) bands (ev): -41.1918 -41.1918 -41.1914 -41.1914 -18.8014 -18.8014 -18.7991 -18.7991 -16.7248 -16.7248 -16.7239 -16.7239 -16.7032 -16.7032 -16.7008 -16.7008 1.4072 1.4072 2.4363 2.4363 3.6935 3.6935 7.6112 7.6112 7.9347 7.9347 9.1103 9.1103 9.5229 9.5229 9.9986 9.9986 10.5196 10.5196 11.4345 11.4345 11.5206 11.5206 11.6949 11.6949 12.0806 12.0806 12.4286 12.4286 14.9526 14.9526 15.2740 15.2740 15.5877 15.5877 15.7867 15.7867 k = 0.2266 0.2266 0.2210 ( 3630 PWs) bands (ev): -41.1924 -41.1924 -41.1919 -41.1919 -18.7997 -18.7997 -18.7973 -18.7973 -16.7213 -16.7213 -16.7201 -16.7201 -16.7024 -16.7024 -16.7003 -16.7003 1.3433 1.3433 2.3599 2.3599 3.6947 3.6947 7.6908 7.6908 7.9703 7.9703 9.1718 9.1718 9.5024 9.5024 9.9973 9.9973 10.5955 10.5955 11.4401 11.4401 11.5282 11.5282 11.7120 11.7120 12.2049 12.2049 12.4879 12.4879 14.9150 14.9150 15.2965 15.2965 15.5682 15.5682 15.8480 15.8480 k = 0.2188 0.2187 0.2210 ( 3638 PWs) bands (ev): -41.1930 -41.1930 -41.1924 -41.1924 -18.7979 -18.7979 -18.7956 -18.7956 -16.7179 -16.7179 -16.7164 -16.7164 -16.7016 -16.7016 -16.6997 -16.6997 1.2807 1.2807 2.2850 2.2850 3.6955 3.6955 7.7721 7.7721 7.9998 7.9998 9.2344 9.2344 9.4905 9.4905 10.0008 10.0008 10.6664 10.6664 11.4453 11.4453 11.5354 11.5354 11.7356 11.7356 12.3259 12.3259 12.5478 12.5478 14.8768 14.8768 15.3054 15.3054 15.5485 15.5485 15.9013 15.9013 k = 0.2109 0.2109 0.2210 ( 3642 PWs) bands (ev): -41.1935 -41.1935 -41.1929 -41.1929 -18.7962 -18.7962 -18.7939 -18.7939 -16.7147 -16.7147 -16.7127 -16.7127 -16.7006 -16.7006 -16.6990 -16.6990 1.2192 1.2192 2.2118 2.2118 3.6957 3.6957 7.8551 7.8551 8.0226 8.0226 9.2979 9.2979 9.4879 9.4879 10.0092 10.0092 10.7314 10.7314 11.4497 11.4497 11.5423 11.5423 11.7670 11.7670 12.4433 12.4433 12.6085 12.6085 14.8379 14.8379 15.2981 15.2981 15.5288 15.5288 15.9441 15.9441 k = 0.2031 0.2031 0.2210 ( 3642 PWs) bands (ev): -41.1940 -41.1940 -41.1934 -41.1934 -18.7945 -18.7945 -18.7921 -18.7921 -16.7117 -16.7117 -16.7091 -16.7091 -16.6994 -16.6994 -16.6982 -16.6982 1.1592 1.1592 2.1404 2.1404 3.6951 3.6951 7.9397 7.9397 8.0383 8.0383 9.3622 9.3622 9.4949 9.4949 10.0223 10.0223 10.7894 10.7894 11.4533 11.4533 11.5488 11.5488 11.8074 11.8074 12.5566 12.5566 12.6704 12.6704 14.7985 14.7985 15.2737 15.2737 15.5091 15.5091 15.9738 15.9738 k = 0.1953 0.1953 0.2210 ( 3660 PWs) bands (ev): -41.1946 -41.1946 -41.1940 -41.1940 -18.7929 -18.7929 -18.7905 -18.7905 -16.7092 -16.7092 -16.7058 -16.7058 -16.6980 -16.6980 -16.6970 -16.6970 1.1006 1.1006 2.0711 2.0711 3.6937 3.6937 8.0233 8.0233 8.0493 8.0493 9.4273 9.4273 9.5115 9.5115 10.0402 10.0402 10.8398 10.8398 11.4559 11.4559 11.5546 11.5546 11.8574 11.8574 12.6641 12.6641 12.7354 12.7354 14.7587 14.7587 15.2329 15.2329 15.4896 15.4896 15.9885 15.9885 k = 0.1875 0.1875 0.2210 ( 3656 PWs) bands (ev): -41.1951 -41.1951 -41.1944 -41.1944 -18.7912 -18.7912 -18.7888 -18.7888 -16.7071 -16.7071 -16.7028 -16.7028 -16.6966 -16.6966 -16.6952 -16.6952 1.0436 1.0436 2.0038 2.0038 3.6915 3.6915 8.0454 8.0454 8.1165 8.1165 9.4929 9.4929 9.5373 9.5373 10.0628 10.0628 10.8824 10.8824 11.4572 11.4572 11.5597 11.5597 11.9172 11.9172 12.7595 12.7595 12.8094 12.8094 14.7187 14.7187 15.1773 15.1773 15.4702 15.4702 15.9875 15.9875 k = 0.1797 0.1797 0.2210 ( 3660 PWs) bands (ev): -41.1956 -41.1956 -41.1949 -41.1949 -18.7896 -18.7896 -18.7872 -18.7872 -16.7054 -16.7054 -16.7005 -16.7005 -16.6947 -16.6947 -16.6928 -16.6928 0.9883 0.9883 1.9388 1.9388 3.6884 3.6884 8.0408 8.0408 8.2055 8.2055 9.5578 9.5578 9.5728 9.5728 10.0900 10.0900 10.9174 10.9174 11.4571 11.4571 11.5639 11.5639 11.9865 11.9865 12.8359 12.8359 12.8994 12.8994 14.6786 14.6786 15.1094 15.1094 15.4511 15.4511 15.9720 15.9720 k = 0.1719 0.1719 0.2210 ( 3660 PWs) bands (ev): -41.1960 -41.1960 -41.1954 -41.1954 -18.7880 -18.7880 -18.7856 -18.7856 -16.7042 -16.7042 -16.6990 -16.6990 -16.6921 -16.6921 -16.6901 -16.6901 0.9347 0.9347 1.8761 1.8761 3.6846 3.6846 8.0301 8.0301 8.2965 8.2965 9.6098 9.6098 9.6291 9.6291 10.1218 10.1218 10.9456 10.9456 11.4553 11.4553 11.5671 11.5671 12.0645 12.0645 12.9028 12.9028 12.9957 12.9957 14.6386 14.6386 15.0318 15.0318 15.4323 15.4323 15.9443 15.9443 k = 0.1641 0.1641 0.2210 ( 3660 PWs) bands (ev): -41.1964 -41.1964 -41.1959 -41.1959 -18.7864 -18.7864 -18.7840 -18.7840 -16.7031 -16.7031 -16.6980 -16.6980 -16.6891 -16.6891 -16.6872 -16.6872 0.8830 0.8830 1.8158 1.8158 3.6799 3.6799 8.0147 8.0147 8.3890 8.3890 9.6581 9.6581 9.6957 9.6957 10.1578 10.1578 10.9679 10.9679 11.4515 11.4515 11.5692 11.5692 12.1503 12.1503 12.9675 12.9675 13.0906 13.0906 14.5991 14.5991 14.9470 14.9470 15.4140 15.4140 15.9076 15.9076 k = 0.1562 0.1562 0.2210 ( 3668 PWs) bands (ev): -41.1969 -41.1969 -41.1963 -41.1963 -18.7849 -18.7849 -18.7825 -18.7825 -16.7023 -16.7023 -16.6972 -16.6972 -16.6859 -16.6859 -16.6842 -16.6842 0.8331 0.8331 1.7579 1.7579 3.6746 3.6746 7.9954 7.9954 8.4828 8.4828 9.7108 9.7108 9.7634 9.7634 10.1980 10.1980 10.9852 10.9852 11.4454 11.4454 11.5699 11.5699 12.2427 12.2427 13.0317 13.0317 13.1819 13.1819 14.5602 14.5602 14.8571 14.8571 15.3961 15.3961 15.8647 15.8647 k = 0.1484 0.1484 0.2210 ( 3662 PWs) bands (ev): -41.1972 -41.1972 -41.1967 -41.1967 -18.7835 -18.7835 -18.7811 -18.7811 -16.7015 -16.7015 -16.6966 -16.6966 -16.6828 -16.6828 -16.6811 -16.6811 0.7852 0.7852 1.7025 1.7025 3.6687 3.6687 7.9734 7.9734 8.5779 8.5779 9.7674 9.7674 9.8316 9.8316 10.2422 10.2422 10.9986 10.9986 11.4367 11.4367 11.5692 11.5692 12.3406 12.3406 13.0960 13.0960 13.2684 13.2684 14.5225 14.5225 14.7645 14.7645 15.3790 15.3790 15.8177 15.8177 k = 0.1406 0.1406 0.2210 ( 3664 PWs) bands (ev): -41.1976 -41.1976 -41.1971 -41.1971 -18.7820 -18.7820 -18.7797 -18.7797 -16.7009 -16.7009 -16.6961 -16.6961 -16.6797 -16.6797 -16.6781 -16.6781 0.7394 0.7394 1.6497 1.6497 3.6623 3.6623 7.9492 7.9492 8.6741 8.6741 9.8269 9.8269 9.8999 9.8999 10.2901 10.2901 11.0088 11.0088 11.4250 11.4250 11.5668 11.5668 12.4428 12.4428 13.1604 13.1604 13.3491 13.3491 14.4861 14.4861 14.6712 14.6712 15.3625 15.3625 15.7682 15.7682 k = 0.1328 0.1328 0.2210 ( 3656 PWs) bands (ev): -41.1979 -41.1979 -41.1974 -41.1974 -18.7806 -18.7806 -18.7783 -18.7783 -16.7002 -16.7002 -16.6956 -16.6956 -16.6766 -16.6766 -16.6752 -16.6752 0.6957 0.6957 1.5995 1.5995 3.6554 3.6554 7.9238 7.9238 8.7713 8.7713 9.8884 9.8884 9.9684 9.9684 10.3414 10.3414 11.0166 11.0166 11.4100 11.4100 11.5627 11.5627 12.5484 12.5484 13.2249 13.2249 13.4225 13.4225 14.4515 14.4515 14.5798 14.5798 15.3469 15.3469 15.7175 15.7175 k = 0.1250 0.1250 0.2210 ( 3664 PWs) bands (ev): -41.1983 -41.1983 -41.1979 -41.1979 -18.7793 -18.7793 -18.7770 -18.7770 -16.6997 -16.6997 -16.6951 -16.6951 -16.6737 -16.6737 -16.6724 -16.6724 0.6542 0.6542 1.5519 1.5519 3.6483 3.6483 7.8977 7.8977 8.8694 8.8694 9.9511 9.9511 10.0368 10.0368 10.3958 10.3958 11.0224 11.0224 11.3914 11.3914 11.5565 11.5565 12.6566 12.6566 13.2892 13.2892 13.4868 13.4868 14.4191 14.4191 14.4933 14.4933 15.3323 15.3323 15.6662 15.6662 k = 0.1172 0.1172 0.2210 ( 3658 PWs) bands (ev): -41.1986 -41.1986 -41.1982 -41.1982 -18.7781 -18.7781 -18.7758 -18.7758 -16.6992 -16.6992 -16.6947 -16.6947 -16.6709 -16.6709 -16.6696 -16.6696 0.6149 0.6149 1.5071 1.5071 3.6409 3.6409 7.8713 7.8713 8.9683 8.9683 10.0143 10.0143 10.1051 10.1051 10.4531 10.4531 11.0269 11.0269 11.3688 11.3688 11.5483 11.5483 12.7664 12.7664 13.3528 13.3528 13.5391 13.5391 14.3891 14.3891 14.4159 14.4159 15.3186 15.3186 15.6147 15.6147 k = 0.1094 0.1094 0.2210 ( 3666 PWs) bands (ev): -41.1990 -41.1990 -41.1986 -41.1986 -18.7769 -18.7769 -18.7746 -18.7746 -16.6987 -16.6987 -16.6943 -16.6943 -16.6683 -16.6683 -16.6670 -16.6670 0.5778 0.5778 1.4649 1.4649 3.6334 3.6334 7.8453 7.8453 9.0678 9.0678 10.0770 10.0770 10.1732 10.1732 10.5127 10.5127 11.0302 11.0302 11.3421 11.3421 11.5380 11.5380 12.8772 12.8772 13.4148 13.4148 13.5762 13.5762 14.3504 14.3504 14.3637 14.3637 15.3059 15.3059 15.5632 15.5632 k = 0.1016 0.1016 0.2210 ( 3674 PWs) bands (ev): -41.1994 -41.1994 -41.1990 -41.1990 -18.7757 -18.7757 -18.7735 -18.7735 -16.6982 -16.6982 -16.6939 -16.6939 -16.6657 -16.6657 -16.6645 -16.6645 0.5432 0.5432 1.4255 1.4255 3.6259 3.6259 7.8199 7.8199 9.1678 9.1678 10.1389 10.1389 10.2409 10.2409 10.5744 10.5744 11.0326 11.0326 11.3109 11.3109 11.5253 11.5253 12.9880 12.9880 13.4721 13.4721 13.5963 13.5963 14.3060 14.3060 14.3399 14.3399 15.2942 15.2942 15.5119 15.5119 k = 0.0938 0.0937 0.2210 ( 3674 PWs) bands (ev): -41.1997 -41.1997 -41.1992 -41.1992 -18.7747 -18.7747 -18.7725 -18.7725 -16.6978 -16.6978 -16.6936 -16.6936 -16.6634 -16.6634 -16.6622 -16.6622 0.5109 0.5109 1.3889 1.3889 3.6185 3.6185 7.7954 7.7954 9.2682 9.2682 10.1991 10.1991 10.3081 10.3081 10.6375 10.6375 11.0343 11.0343 11.2751 11.2751 11.5103 11.5103 13.0975 13.0975 13.5133 13.5133 13.6082 13.6082 14.2832 14.2832 14.3209 14.3209 15.2834 15.2834 15.4605 15.4605 k = 0.0859 0.0859 0.2210 ( 3674 PWs) bands (ev): -41.1999 -41.1999 -41.1995 -41.1995 -18.7737 -18.7737 -18.7716 -18.7716 -16.6974 -16.6974 -16.6933 -16.6933 -16.6612 -16.6612 -16.6600 -16.6600 0.4810 0.4810 1.3551 1.3551 3.6113 3.6113 7.7722 7.7722 9.3687 9.3687 10.2572 10.2572 10.3745 10.3745 10.7015 10.7015 11.0356 11.0356 11.2346 11.2346 11.4929 11.4929 13.2032 13.2032 13.5132 13.5132 13.6401 13.6401 14.2795 14.2795 14.3091 14.3091 15.2732 15.2732 15.4087 15.4087 k = 0.0781 0.0781 0.2210 ( 3676 PWs) bands (ev): -41.2002 -41.2002 -41.1998 -41.1998 -18.7727 -18.7727 -18.7707 -18.7707 -16.6970 -16.6970 -16.6930 -16.6930 -16.6591 -16.6591 -16.6580 -16.6580 0.4536 0.4536 1.3242 1.3242 3.6044 3.6044 7.7504 7.7504 9.4691 9.4691 10.3126 10.3126 10.4401 10.4401 10.7656 10.7656 11.0364 11.0364 11.1893 11.1893 11.4731 11.4731 13.2959 13.2959 13.4864 13.4864 13.6908 13.6908 14.2788 14.2788 14.3165 14.3165 15.2627 15.2627 15.3568 15.3568 k = 0.0703 0.0703 0.2210 ( 3664 PWs) bands (ev): -41.2003 -41.2003 -41.2000 -41.2000 -18.7719 -18.7719 -18.7699 -18.7699 -16.6967 -16.6967 -16.6927 -16.6927 -16.6572 -16.6572 -16.6561 -16.6561 0.4287 0.4287 1.2961 1.2961 3.5979 3.5979 7.7302 7.7302 9.5692 9.5692 10.3648 10.3648 10.5045 10.5045 10.8288 10.8288 11.0371 11.0371 11.1393 11.1393 11.4512 11.4512 13.3340 13.3340 13.4943 13.4943 13.7457 13.7457 14.2731 14.2731 14.3456 14.3456 15.2484 15.2484 15.3071 15.3071 k = 0.0625 0.0625 0.2210 ( 3660 PWs) bands (ev): -41.2004 -41.2004 -41.2001 -41.2001 -18.7711 -18.7711 -18.7692 -18.7692 -16.6964 -16.6964 -16.6925 -16.6925 -16.6555 -16.6555 -16.6544 -16.6544 0.4063 0.4063 1.2710 1.2710 3.5918 3.5918 7.7117 7.7117 9.6688 9.6688 10.4134 10.4134 10.5676 10.5676 10.8897 10.8897 11.0380 11.0380 11.0851 11.0851 11.4272 11.4272 13.2941 13.2941 13.5688 13.5688 13.8008 13.8008 14.2684 14.2684 14.3856 14.3856 15.2166 15.2166 15.2723 15.2723 k = 0.0547 0.0547 0.2210 ( 3650 PWs) bands (ev): -41.2006 -41.2006 -41.2002 -41.2002 -18.7704 -18.7704 -18.7686 -18.7686 -16.6961 -16.6961 -16.6923 -16.6923 -16.6540 -16.6540 -16.6529 -16.6529 0.3865 0.3865 1.2487 1.2487 3.5863 3.5863 7.6952 7.6952 9.7674 9.7674 10.4578 10.4578 10.6290 10.6290 10.9453 10.9453 11.0245 11.0245 11.0430 11.0430 11.4016 11.4016 13.2304 13.2304 13.6593 13.6593 13.8557 13.8557 14.2665 14.2665 14.4315 14.4315 15.1616 15.1616 15.2571 15.2571 k = 0.0469 0.0469 0.2210 ( 3652 PWs) bands (ev): -41.2008 -41.2008 -41.2003 -41.2003 -18.7698 -18.7698 -18.7680 -18.7680 -16.6958 -16.6958 -16.6921 -16.6921 -16.6527 -16.6527 -16.6516 -16.6516 0.3692 0.3692 1.2294 1.2294 3.5813 3.5813 7.6807 7.6807 9.8647 9.8647 10.4975 10.4975 10.6884 10.6884 10.9599 10.9599 10.9925 10.9925 11.0518 11.0518 11.3752 11.3752 13.1633 13.1633 13.7455 13.7455 13.9121 13.9121 14.2676 14.2676 14.4807 14.4807 15.0966 15.0966 15.2477 15.2477 k = 0.0391 0.0391 0.2210 ( 3658 PWs) bands (ev): -41.2010 -41.2010 -41.2005 -41.2005 -18.7693 -18.7693 -18.7676 -18.7676 -16.6956 -16.6956 -16.6919 -16.6919 -16.6516 -16.6516 -16.6505 -16.6505 0.3546 0.3546 1.2130 1.2130 3.5770 3.5770 7.6683 7.6683 9.9599 9.9599 10.5322 10.5322 10.7450 10.7450 10.8954 10.8954 11.0117 11.0117 11.0782 11.0782 11.3491 11.3491 13.0991 13.0991 13.8185 13.8185 13.9735 13.9735 14.2716 14.2716 14.5311 14.5311 15.0263 15.0263 15.2386 15.2386 k = 0.0312 0.0312 0.2210 ( 3666 PWs) bands (ev): -41.2012 -41.2012 -41.2007 -41.2007 -18.7689 -18.7689 -18.7672 -18.7672 -16.6955 -16.6955 -16.6918 -16.6918 -16.6507 -16.6507 -16.6496 -16.6496 0.3426 0.3426 1.1996 1.1996 3.5735 3.5735 7.6581 7.6581 10.0521 10.0521 10.5614 10.5614 10.7970 10.7970 10.8285 10.8285 11.0165 11.0165 11.1103 11.1103 11.3259 11.3259 13.0414 13.0414 13.8732 13.8732 14.0411 14.0411 14.2791 14.2791 14.5809 14.5809 14.9532 14.9532 15.2277 15.2277 k = 0.0234 0.0234 0.2210 ( 3664 PWs) bands (ev): -41.2012 -41.2012 -41.2008 -41.2008 -18.7686 -18.7686 -18.7669 -18.7669 -16.6953 -16.6953 -16.6917 -16.6917 -16.6499 -16.6499 -16.6489 -16.6489 0.3333 0.3333 1.1892 1.1892 3.5707 3.5707 7.6500 7.6500 10.1396 10.1396 10.5846 10.5846 10.7570 10.7570 10.8482 10.8482 11.0163 11.0163 11.1334 11.1334 11.3089 11.3089 12.9932 12.9932 13.9108 13.9108 14.1080 14.1080 14.2917 14.2917 14.6275 14.6275 14.8806 14.8806 15.2133 15.2133 k = 0.0156 0.0156 0.2210 ( 3664 PWs) bands (ev): -41.2013 -41.2013 -41.2008 -41.2008 -18.7683 -18.7683 -18.7667 -18.7667 -16.6953 -16.6953 -16.6916 -16.6916 -16.6494 -16.6494 -16.6484 -16.6484 0.3266 0.3266 1.1817 1.1817 3.5686 3.5686 7.6443 7.6443 10.2185 10.2185 10.6015 10.6015 10.6915 10.6915 10.8899 10.8899 11.0141 11.0141 11.1423 11.1423 11.3010 11.3010 12.9568 12.9568 13.9351 13.9351 14.1621 14.1621 14.3120 14.3120 14.6673 14.6673 14.8137 14.8137 15.1956 15.1956 k = 0.0078 0.0078 0.2210 ( 3656 PWs) bands (ev): -41.2012 -41.2012 -41.2008 -41.2008 -18.7682 -18.7682 -18.7665 -18.7665 -16.6952 -16.6952 -16.6916 -16.6916 -16.6491 -16.6491 -16.6480 -16.6480 0.3226 0.3226 1.1772 1.1772 3.5674 3.5674 7.6408 7.6408 10.2800 10.2800 10.6117 10.6117 10.6380 10.6380 10.9208 10.9208 11.0107 11.0107 11.1410 11.1410 11.3000 11.3000 12.9341 12.9341 13.9489 13.9489 14.1934 14.1934 14.3371 14.3371 14.6956 14.6956 14.7620 14.7620 15.1797 15.1797 k = 0.0000 0.0000 0.2210 ( 3648 PWs) bands (ev): -41.2012 -41.2012 -41.2007 -41.2007 -18.7681 -18.7681 -18.7665 -18.7665 -16.6952 -16.6952 -16.6916 -16.6916 -16.6490 -16.6490 -16.6479 -16.6479 0.3213 0.3213 1.1757 1.1757 3.5670 3.5670 7.6397 7.6397 10.3053 10.3053 10.6140 10.6140 10.6166 10.6166 10.9329 10.9329 11.0087 11.0087 11.1389 11.1389 11.3005 11.3005 12.9263 12.9263 13.9534 13.9534 14.2028 14.2028 14.3496 14.3496 14.7070 14.7070 14.7406 14.7406 15.1731 15.1731 k = 0.0000 0.5000-0.0000 ( 3638 PWs) bands (ev): -41.1906 -41.1906 -41.1906 -41.1906 -18.8074 -18.8074 -18.8074 -18.8074 -16.7785 -16.7785 -16.7785 -16.7785 -16.6567 -16.6567 -16.6567 -16.6567 2.5125 2.5125 2.5125 2.5125 4.2223 4.2223 4.2223 4.2223 8.0196 8.0196 8.0196 8.0196 11.1088 11.1088 11.1088 11.1088 11.2684 11.2684 11.2684 11.2684 11.7959 11.7959 11.7959 11.7959 12.5690 12.5690 12.5690 12.5690 15.1561 15.1561 15.1561 15.1561 16.2148 16.2148 16.2148 16.2148 k = 0.0000 0.5000 0.0110 ( 3634 PWs) bands (ev): -41.1906 -41.1906 -41.1906 -41.1906 -18.8074 -18.8074 -18.8074 -18.8074 -16.7785 -16.7785 -16.7785 -16.7785 -16.6567 -16.6567 -16.6567 -16.6567 2.5128 2.5128 2.5128 2.5128 4.2214 4.2214 4.2214 4.2214 8.0226 8.0226 8.0226 8.0226 11.1033 11.1033 11.1033 11.1033 11.2674 11.2674 11.2674 11.2674 11.7968 11.7968 11.7968 11.7968 12.5713 12.5713 12.5713 12.5713 15.1579 15.1579 15.1579 15.1579 16.2172 16.2172 16.2172 16.2172 k = 0.0000 0.5000 0.0221 ( 3638 PWs) bands (ev): -41.1906 -41.1906 -41.1906 -41.1906 -18.8074 -18.8074 -18.8074 -18.8074 -16.7785 -16.7785 -16.7785 -16.7785 -16.6567 -16.6567 -16.6567 -16.6567 2.5136 2.5136 2.5136 2.5136 4.2186 4.2186 4.2186 4.2186 8.0315 8.0315 8.0315 8.0315 11.0872 11.0872 11.0872 11.0872 11.2646 11.2646 11.2646 11.2646 11.7994 11.7994 11.7994 11.7994 12.5781 12.5781 12.5781 12.5781 15.1634 15.1634 15.1634 15.1634 16.2241 16.2241 16.2241 16.2241 k = 0.0000 0.5000 0.0331 ( 3644 PWs) bands (ev): -41.1907 -41.1907 -41.1907 -41.1907 -18.8074 -18.8074 -18.8074 -18.8074 -16.7785 -16.7785 -16.7785 -16.7785 -16.6567 -16.6567 -16.6567 -16.6567 2.5149 2.5149 2.5149 2.5149 4.2140 4.2140 4.2140 4.2140 8.0461 8.0461 8.0461 8.0461 11.0608 11.0608 11.0608 11.0608 11.2601 11.2601 11.2601 11.2601 11.8034 11.8034 11.8034 11.8034 12.5893 12.5893 12.5893 12.5893 15.1724 15.1724 15.1724 15.1724 16.2350 16.2350 16.2350 16.2350 k = 0.0000 0.5000 0.0442 ( 3656 PWs) bands (ev): -41.1908 -41.1908 -41.1908 -41.1908 -18.8074 -18.8074 -18.8074 -18.8074 -16.7785 -16.7785 -16.7785 -16.7785 -16.6567 -16.6567 -16.6567 -16.6567 2.5168 2.5168 2.5168 2.5168 4.2078 4.2078 4.2078 4.2078 8.0662 8.0662 8.0662 8.0662 11.0253 11.0253 11.0253 11.0253 11.2540 11.2540 11.2540 11.2540 11.8083 11.8083 11.8083 11.8083 12.6046 12.6046 12.6046 12.6046 15.1848 15.1848 15.1848 15.1848 16.2489 16.2489 16.2489 16.2489 k = 0.0000 0.5000 0.0552 ( 3658 PWs) bands (ev): -41.1908 -41.1908 -41.1908 -41.1908 -18.8074 -18.8074 -18.8074 -18.8074 -16.7785 -16.7785 -16.7785 -16.7785 -16.6567 -16.6567 -16.6567 -16.6567 2.5191 2.5191 2.5191 2.5191 4.2001 4.2001 4.2001 4.2001 8.0917 8.0917 8.0917 8.0917 10.9815 10.9815 10.9815 10.9815 11.2467 11.2467 11.2467 11.2467 11.8135 11.8135 11.8135 11.8135 12.6236 12.6236 12.6236 12.6236 15.2004 15.2004 15.2004 15.2004 16.2639 16.2639 16.2639 16.2639 k = 0.0000 0.5000 0.0663 ( 3658 PWs) bands (ev): -41.1908 -41.1908 -41.1908 -41.1908 -18.8074 -18.8074 -18.8074 -18.8074 -16.7786 -16.7786 -16.7786 -16.7786 -16.6566 -16.6566 -16.6566 -16.6566 2.5218 2.5218 2.5218 2.5218 4.1911 4.1911 4.1911 4.1911 8.1221 8.1221 8.1221 8.1221 10.9309 10.9309 10.9309 10.9309 11.2385 11.2385 11.2385 11.2385 11.8187 11.8187 11.8187 11.8187 12.6459 12.6459 12.6459 12.6459 15.2191 15.2191 15.2191 15.2191 16.2692 16.2692 16.2692 16.2692 k = 0.0000 0.5000 0.0773 ( 3666 PWs) bands (ev): -41.1909 -41.1909 -41.1909 -41.1909 -18.8074 -18.8074 -18.8074 -18.8074 -16.7786 -16.7786 -16.7786 -16.7786 -16.6566 -16.6566 -16.6566 -16.6566 2.5249 2.5249 2.5249 2.5249 4.1810 4.1810 4.1810 4.1810 8.1570 8.1570 8.1570 8.1570 10.8744 10.8744 10.8744 10.8744 11.2294 11.2294 11.2294 11.2294 11.8235 11.8235 11.8235 11.8235 12.6710 12.6710 12.6710 12.6710 15.2405 15.2405 15.2405 15.2405 16.2238 16.2238 16.2238 16.2238 k = 0.0000 0.5000 0.0884 ( 3666 PWs) bands (ev): -41.1909 -41.1909 -41.1909 -41.1909 -18.8074 -18.8074 -18.8074 -18.8074 -16.7786 -16.7786 -16.7786 -16.7786 -16.6566 -16.6566 -16.6566 -16.6566 2.5283 2.5283 2.5283 2.5283 4.1701 4.1701 4.1701 4.1701 8.1959 8.1959 8.1959 8.1959 10.8134 10.8134 10.8134 10.8134 11.2199 11.2199 11.2199 11.2199 11.8277 11.8277 11.8277 11.8277 12.6984 12.6984 12.6984 12.6984 15.2641 15.2641 15.2641 15.2641 16.1520 16.1520 16.1520 16.1520 k = 0.0000 0.5000 0.0994 ( 3674 PWs) bands (ev): -41.1909 -41.1909 -41.1909 -41.1909 -18.8075 -18.8075 -18.8075 -18.8075 -16.7786 -16.7786 -16.7786 -16.7786 -16.6566 -16.6566 -16.6566 -16.6566 2.5318 2.5318 2.5318 2.5318 4.1587 4.1587 4.1587 4.1587 8.2381 8.2381 8.2381 8.2381 10.7490 10.7490 10.7490 10.7490 11.2102 11.2102 11.2102 11.2102 11.8311 11.8311 11.8311 11.8311 12.7274 12.7274 12.7274 12.7274 15.2896 15.2896 15.2896 15.2896 16.0770 16.0770 16.0770 16.0770 k = 0.0000 0.5000 0.1105 ( 3668 PWs) bands (ev): -41.1909 -41.1909 -41.1909 -41.1909 -18.8075 -18.8075 -18.8075 -18.8075 -16.7786 -16.7786 -16.7786 -16.7786 -16.6566 -16.6566 -16.6566 -16.6566 2.5355 2.5355 2.5355 2.5355 4.1471 4.1471 4.1471 4.1471 8.2831 8.2831 8.2831 8.2831 10.6825 10.6825 10.6825 10.6825 11.2005 11.2005 11.2005 11.2005 11.8339 11.8339 11.8339 11.8339 12.7573 12.7573 12.7573 12.7573 15.3163 15.3163 15.3163 15.3163 16.0028 16.0028 16.0028 16.0028 k = 0.0000 0.5000 0.1215 ( 3664 PWs) bands (ev): -41.1909 -41.1909 -41.1909 -41.1909 -18.8075 -18.8075 -18.8075 -18.8075 -16.7786 -16.7786 -16.7786 -16.7786 -16.6565 -16.6565 -16.6565 -16.6565 2.5393 2.5393 2.5393 2.5393 4.1355 4.1355 4.1355 4.1355 8.3299 8.3299 8.3299 8.3299 10.6151 10.6151 10.6151 10.6151 11.1910 11.1910 11.1910 11.1910 11.8359 11.8359 11.8359 11.8359 12.7876 12.7876 12.7876 12.7876 15.3436 15.3436 15.3436 15.3436 15.9313 15.9313 15.9313 15.9313 k = 0.0000 0.5000 0.1326 ( 3668 PWs) bands (ev): -41.1909 -41.1909 -41.1909 -41.1909 -18.8075 -18.8075 -18.8075 -18.8075 -16.7787 -16.7787 -16.7787 -16.7787 -16.6565 -16.6565 -16.6565 -16.6565 2.5430 2.5430 2.5430 2.5430 4.1242 4.1242 4.1242 4.1242 8.3776 8.3776 8.3776 8.3776 10.5482 10.5482 10.5482 10.5482 11.1820 11.1820 11.1820 11.1820 11.8374 11.8374 11.8374 11.8374 12.8175 12.8175 12.8175 12.8175 15.3707 15.3707 15.3707 15.3707 15.8638 15.8638 15.8638 15.8638 k = 0.0000 0.5000 0.1436 ( 3664 PWs) bands (ev): -41.1909 -41.1909 -41.1909 -41.1909 -18.8075 -18.8075 -18.8075 -18.8075 -16.7787 -16.7787 -16.7787 -16.7787 -16.6565 -16.6565 -16.6565 -16.6565 2.5465 2.5465 2.5465 2.5465 4.1135 4.1135 4.1135 4.1135 8.4250 8.4250 8.4250 8.4250 10.4830 10.4830 10.4830 10.4830 11.1737 11.1737 11.1737 11.1737 11.8383 11.8383 11.8383 11.8383 12.8463 12.8463 12.8463 12.8463 15.3968 15.3968 15.3968 15.3968 15.8015 15.8015 15.8015 15.8015 k = 0.0000 0.5000 0.1547 ( 3664 PWs) bands (ev): -41.1908 -41.1908 -41.1908 -41.1908 -18.8075 -18.8075 -18.8075 -18.8075 -16.7787 -16.7787 -16.7787 -16.7787 -16.6565 -16.6565 -16.6565 -16.6565 2.5498 2.5498 2.5498 2.5498 4.1037 4.1037 4.1037 4.1037 8.4711 8.4711 8.4711 8.4711 10.4213 10.4213 10.4213 10.4213 11.1662 11.1662 11.1662 11.1662 11.8388 11.8388 11.8388 11.8388 12.8733 12.8733 12.8733 12.8733 15.4213 15.4213 15.4213 15.4213 15.7455 15.7455 15.7455 15.7455 k = 0.0000 0.5000 0.1657 ( 3660 PWs) bands (ev): -41.1908 -41.1908 -41.1908 -41.1908 -18.8075 -18.8075 -18.8075 -18.8075 -16.7787 -16.7787 -16.7787 -16.7787 -16.6565 -16.6565 -16.6565 -16.6565 2.5527 2.5527 2.5527 2.5527 4.0949 4.0949 4.0949 4.0949 8.5142 8.5142 8.5142 8.5142 10.3645 10.3645 10.3645 10.3645 11.1596 11.1596 11.1596 11.1596 11.8390 11.8390 11.8390 11.8390 12.8977 12.8977 12.8977 12.8977 15.4430 15.4430 15.4430 15.4430 15.6967 15.6967 15.6967 15.6967 k = 0.0000 0.5000 0.1768 ( 3658 PWs) bands (ev): -41.1908 -41.1908 -41.1908 -41.1908 -18.8074 -18.8074 -18.8074 -18.8074 -16.7787 -16.7787 -16.7787 -16.7787 -16.6565 -16.6565 -16.6565 -16.6565 2.5553 2.5553 2.5553 2.5553 4.0874 4.0874 4.0874 4.0874 8.5528 8.5528 8.5528 8.5528 10.3144 10.3144 10.3144 10.3144 11.1540 11.1540 11.1540 11.1540 11.8390 11.8390 11.8390 11.8390 12.9188 12.9188 12.9188 12.9188 15.4613 15.4613 15.4613 15.4613 15.6561 15.6561 15.6561 15.6561 k = 0.0000 0.5000 0.1878 ( 3656 PWs) bands (ev): -41.1908 -41.1908 -41.1908 -41.1908 -18.8074 -18.8074 -18.8074 -18.8074 -16.7787 -16.7787 -16.7787 -16.7787 -16.6564 -16.6564 -16.6564 -16.6564 2.5573 2.5573 2.5573 2.5573 4.0814 4.0814 4.0814 4.0814 8.5853 8.5853 8.5853 8.5853 10.2729 10.2729 10.2729 10.2729 11.1496 11.1496 11.1496 11.1496 11.8390 11.8390 11.8390 11.8390 12.9360 12.9360 12.9360 12.9360 15.4753 15.4753 15.4753 15.4753 15.6246 15.6246 15.6246 15.6246 k = 0.0000 0.5000 0.1989 ( 3654 PWs) bands (ev): -41.1908 -41.1908 -41.1908 -41.1908 -18.8074 -18.8074 -18.8074 -18.8074 -16.7787 -16.7787 -16.7787 -16.7787 -16.6564 -16.6564 -16.6564 -16.6564 2.5588 2.5588 2.5588 2.5588 4.0770 4.0770 4.0770 4.0770 8.6100 8.6100 8.6100 8.6100 10.2418 10.2418 10.2418 10.2418 11.1464 11.1464 11.1464 11.1464 11.8388 11.8388 11.8388 11.8388 12.9487 12.9487 12.9487 12.9487 15.4845 15.4845 15.4845 15.4845 15.6028 15.6028 15.6028 15.6028 k = 0.0000 0.5000 0.2099 ( 3656 PWs) bands (ev): -41.1908 -41.1908 -41.1908 -41.1908 -18.8074 -18.8074 -18.8074 -18.8074 -16.7787 -16.7787 -16.7787 -16.7787 -16.6564 -16.6564 -16.6564 -16.6564 2.5597 2.5597 2.5597 2.5597 4.0744 4.0744 4.0744 4.0744 8.6255 8.6255 8.6255 8.6255 10.2224 10.2224 10.2224 10.2224 11.1444 11.1444 11.1444 11.1444 11.8388 11.8388 11.8388 11.8388 12.9565 12.9565 12.9565 12.9565 15.4893 15.4893 15.4893 15.4893 15.5904 15.5904 15.5904 15.5904 k = 0.0000 0.5000 0.2210 ( 3656 PWs) bands (ev): -41.1908 -41.1908 -41.1908 -41.1908 -18.8074 -18.8074 -18.8074 -18.8074 -16.7787 -16.7787 -16.7787 -16.7787 -16.6564 -16.6564 -16.6564 -16.6564 2.5601 2.5601 2.5601 2.5601 4.0735 4.0735 4.0735 4.0735 8.6308 8.6308 8.6308 8.6308 10.2158 10.2158 10.2158 10.2158 11.1438 11.1438 11.1438 11.1438 11.8387 11.8387 11.8387 11.8387 12.9591 12.9591 12.9591 12.9591 15.4907 15.4907 15.4907 15.4907 15.5865 15.5865 15.5865 15.5865 k = 0.5000 0.5000-0.0000 ( 3684 PWs) bands (ev): -41.1811 -41.1811 -41.1811 -41.1811 -18.8385 -18.8385 -18.8385 -18.8385 -16.8050 -16.8050 -16.8050 -16.8050 -16.7111 -16.7111 -16.7111 -16.7111 3.0428 3.0428 3.0428 3.0428 6.1890 6.1890 6.1890 6.1890 7.5991 7.5991 7.5991 7.5991 8.0703 8.0703 8.0703 8.0703 10.1600 10.1600 10.1600 10.1600 10.9412 10.9412 10.9412 10.9412 11.6904 11.6904 11.6904 11.6904 16.1076 16.1076 16.1076 16.1076 16.5016 16.5016 16.5016 16.5016 k = 0.5000 0.5000 0.0110 ( 3676 PWs) bands (ev): -41.1810 -41.1810 -41.1810 -41.1810 -18.8385 -18.8385 -18.8385 -18.8385 -16.8050 -16.8050 -16.8050 -16.8050 -16.7111 -16.7111 -16.7111 -16.7111 3.0430 3.0430 3.0430 3.0430 6.1892 6.1892 6.1892 6.1892 7.5964 7.5964 7.5964 7.5964 8.0698 8.0698 8.0698 8.0698 10.1656 10.1656 10.1656 10.1656 10.9426 10.9426 10.9426 10.9426 11.6895 11.6895 11.6895 11.6895 16.1075 16.1075 16.1075 16.1075 16.4889 16.4889 16.4889 16.4889 k = 0.5000 0.5000 0.0221 ( 3680 PWs) bands (ev): -41.1810 -41.1810 -41.1810 -41.1810 -18.8385 -18.8385 -18.8385 -18.8385 -16.8050 -16.8050 -16.8050 -16.8050 -16.7111 -16.7111 -16.7111 -16.7111 3.0435 3.0435 3.0435 3.0435 6.1897 6.1897 6.1897 6.1897 7.5882 7.5882 7.5882 7.5882 8.0681 8.0681 8.0681 8.0681 10.1821 10.1821 10.1821 10.1821 10.9469 10.9469 10.9469 10.9469 11.6868 11.6868 11.6868 11.6868 16.1072 16.1072 16.1072 16.1072 16.4518 16.4518 16.4518 16.4518 k = 0.5000 0.5000 0.0331 ( 3668 PWs) bands (ev): -41.1809 -41.1809 -41.1809 -41.1809 -18.8384 -18.8384 -18.8384 -18.8384 -16.8050 -16.8050 -16.8050 -16.8050 -16.7111 -16.7111 -16.7111 -16.7111 3.0444 3.0444 3.0444 3.0444 6.1905 6.1905 6.1905 6.1905 7.5750 7.5750 7.5750 7.5750 8.0654 8.0654 8.0654 8.0654 10.2092 10.2092 10.2092 10.2092 10.9541 10.9541 10.9541 10.9541 11.6822 11.6822 11.6822 11.6822 16.1067 16.1067 16.1067 16.1067 16.3923 16.3923 16.3923 16.3923 k = 0.5000 0.5000 0.0442 ( 3660 PWs) bands (ev): -41.1809 -41.1809 -41.1809 -41.1809 -18.8384 -18.8384 -18.8384 -18.8384 -16.8050 -16.8050 -16.8050 -16.8050 -16.7111 -16.7111 -16.7111 -16.7111 3.0457 3.0457 3.0457 3.0457 6.1917 6.1917 6.1917 6.1917 7.5573 7.5573 7.5573 7.5573 8.0617 8.0617 8.0617 8.0617 10.2461 10.2461 10.2461 10.2461 10.9640 10.9640 10.9640 10.9640 11.6758 11.6758 11.6758 11.6758 16.1055 16.1055 16.1055 16.1055 16.3141 16.3141 16.3141 16.3141 k = 0.5000 0.5000 0.0552 ( 3668 PWs) bands (ev): -41.1809 -41.1809 -41.1809 -41.1809 -18.8384 -18.8384 -18.8384 -18.8384 -16.8050 -16.8050 -16.8050 -16.8050 -16.7111 -16.7111 -16.7111 -16.7111 3.0473 3.0473 3.0473 3.0473 6.1931 6.1931 6.1931 6.1931 7.5357 7.5357 7.5357 7.5357 8.0572 8.0572 8.0572 8.0572 10.2919 10.2919 10.2919 10.2919 10.9766 10.9766 10.9766 10.9766 11.6677 11.6677 11.6677 11.6677 16.1019 16.1019 16.1019 16.1019 16.2222 16.2222 16.2222 16.2222 k = 0.5000 0.5000 0.0663 ( 3668 PWs) bands (ev): -41.1809 -41.1809 -41.1809 -41.1809 -18.8384 -18.8384 -18.8384 -18.8384 -16.8050 -16.8050 -16.8050 -16.8050 -16.7111 -16.7111 -16.7111 -16.7111 3.0491 3.0491 3.0491 3.0491 6.1948 6.1948 6.1948 6.1948 7.5111 7.5111 7.5111 7.5111 8.0518 8.0518 8.0518 8.0518 10.3455 10.3455 10.3455 10.3455 10.9917 10.9917 10.9917 10.9917 11.6578 11.6578 11.6578 11.6578 16.0784 16.0784 16.0784 16.0784 16.1380 16.1380 16.1380 16.1380 k = 0.5000 0.5000 0.0773 ( 3660 PWs) bands (ev): -41.1809 -41.1809 -41.1809 -41.1809 -18.8384 -18.8384 -18.8384 -18.8384 -16.8050 -16.8050 -16.8050 -16.8050 -16.7111 -16.7111 -16.7111 -16.7111 3.0512 3.0512 3.0512 3.0512 6.1967 6.1967 6.1967 6.1967 7.4843 7.4843 7.4843 7.4843 8.0458 8.0458 8.0458 8.0458 10.4057 10.4057 10.4057 10.4057 11.0092 11.0092 11.0092 11.0092 11.6462 11.6462 11.6462 11.6462 15.9830 15.9830 15.9830 15.9830 16.1169 16.1169 16.1169 16.1169 k = 0.5000 0.5000 0.0884 ( 3660 PWs) bands (ev): -41.1809 -41.1809 -41.1809 -41.1809 -18.8384 -18.8384 -18.8384 -18.8384 -16.8050 -16.8050 -16.8050 -16.8050 -16.7111 -16.7111 -16.7111 -16.7111 3.0535 3.0535 3.0535 3.0535 6.1987 6.1987 6.1987 6.1987 7.4561 7.4561 7.4561 7.4561 8.0394 8.0394 8.0394 8.0394 10.4711 10.4711 10.4711 10.4711 11.0290 11.0290 11.0290 11.0290 11.6329 11.6329 11.6329 11.6329 15.8642 15.8642 15.8642 15.8642 16.1135 16.1135 16.1135 16.1135 k = 0.5000 0.5000 0.0994 ( 3644 PWs) bands (ev): -41.1807 -41.1807 -41.1807 -41.1807 -18.8384 -18.8384 -18.8384 -18.8384 -16.8050 -16.8050 -16.8050 -16.8050 -16.7111 -16.7111 -16.7111 -16.7111 3.0559 3.0559 3.0559 3.0559 6.2009 6.2009 6.2009 6.2009 7.4272 7.4272 7.4272 7.4272 8.0326 8.0326 8.0326 8.0326 10.5404 10.5404 10.5404 10.5404 11.0509 11.0509 11.0509 11.0509 11.6180 11.6180 11.6180 11.6180 15.7405 15.7405 15.7405 15.7405 16.1123 16.1123 16.1123 16.1123 k = 0.5000 0.5000 0.1105 ( 3652 PWs) bands (ev): -41.1808 -41.1808 -41.1808 -41.1808 -18.8384 -18.8384 -18.8384 -18.8384 -16.8050 -16.8050 -16.8050 -16.8050 -16.7111 -16.7111 -16.7111 -16.7111 3.0584 3.0584 3.0584 3.0584 6.2032 6.2032 6.2032 6.2032 7.3985 7.3985 7.3985 7.3985 8.0256 8.0256 8.0256 8.0256 10.6120 10.6120 10.6120 10.6120 11.0747 11.0747 11.0747 11.0747 11.6016 11.6016 11.6016 11.6016 15.6160 15.6160 15.6160 15.6160 16.1117 16.1117 16.1117 16.1117 k = 0.5000 0.5000 0.1215 ( 3648 PWs) bands (ev): -41.1808 -41.1808 -41.1808 -41.1808 -18.8384 -18.8384 -18.8384 -18.8384 -16.8049 -16.8049 -16.8049 -16.8049 -16.7111 -16.7111 -16.7111 -16.7111 3.0608 3.0608 3.0608 3.0608 6.2054 6.2054 6.2054 6.2054 7.3706 7.3706 7.3706 7.3706 8.0187 8.0187 8.0187 8.0187 10.6842 10.6842 10.6842 10.6842 11.1003 11.1003 11.1003 11.1003 11.5837 11.5837 11.5837 11.5837 15.4935 15.4935 15.4935 15.4935 16.1114 16.1114 16.1114 16.1114 k = 0.5000 0.5000 0.1326 ( 3656 PWs) bands (ev): -41.1808 -41.1808 -41.1808 -41.1808 -18.8384 -18.8384 -18.8384 -18.8384 -16.8049 -16.8049 -16.8049 -16.8049 -16.7111 -16.7111 -16.7111 -16.7111 3.0632 3.0632 3.0632 3.0632 6.2076 6.2076 6.2076 6.2076 7.3440 7.3440 7.3440 7.3440 8.0119 8.0119 8.0119 8.0119 10.7555 10.7555 10.7555 10.7555 11.1275 11.1275 11.1275 11.1275 11.5644 11.5644 11.5644 11.5644 15.3755 15.3755 15.3755 15.3755 16.1111 16.1111 16.1111 16.1111 k = 0.5000 0.5000 0.1436 ( 3640 PWs) bands (ev): -41.1807 -41.1807 -41.1807 -41.1807 -18.8384 -18.8384 -18.8384 -18.8384 -16.8049 -16.8049 -16.8049 -16.8049 -16.7111 -16.7111 -16.7111 -16.7111 3.0656 3.0656 3.0656 3.0656 6.2098 6.2098 6.2098 6.2098 7.3194 7.3194 7.3194 7.3194 8.0055 8.0055 8.0055 8.0055 10.8240 10.8240 10.8240 10.8240 11.1561 11.1561 11.1561 11.1561 11.5438 11.5438 11.5438 11.5438 15.2641 15.2641 15.2641 15.2641 16.1110 16.1110 16.1110 16.1110 k = 0.5000 0.5000 0.1547 ( 3640 PWs) bands (ev): -41.1807 -41.1807 -41.1807 -41.1807 -18.8384 -18.8384 -18.8384 -18.8384 -16.8049 -16.8049 -16.8049 -16.8049 -16.7111 -16.7111 -16.7111 -16.7111 3.0677 3.0677 3.0677 3.0677 6.2117 6.2117 6.2117 6.2117 7.2972 7.2972 7.2972 7.2972 7.9996 7.9996 7.9996 7.9996 10.8878 10.8878 10.8878 10.8878 11.1859 11.1859 11.1859 11.1859 11.5222 11.5222 11.5222 11.5222 15.1616 15.1616 15.1616 15.1616 16.1109 16.1109 16.1109 16.1109 k = 0.5000 0.5000 0.1657 ( 3648 PWs) bands (ev): -41.1808 -41.1808 -41.1808 -41.1808 -18.8384 -18.8384 -18.8384 -18.8384 -16.8049 -16.8049 -16.8049 -16.8049 -16.7111 -16.7111 -16.7111 -16.7111 3.0696 3.0696 3.0696 3.0696 6.2135 6.2135 6.2135 6.2135 7.2777 7.2777 7.2777 7.2777 7.9943 7.9943 7.9943 7.9943 10.9453 10.9453 10.9453 10.9453 11.2166 11.2166 11.2166 11.2166 11.4995 11.4995 11.4995 11.4995 15.0701 15.0701 15.0701 15.0701 16.1108 16.1108 16.1108 16.1108 k = 0.5000 0.5000 0.1768 ( 3632 PWs) bands (ev): -41.1806 -41.1806 -41.1806 -41.1806 -18.8384 -18.8384 -18.8384 -18.8384 -16.8049 -16.8049 -16.8049 -16.8049 -16.7111 -16.7111 -16.7111 -16.7111 3.0712 3.0712 3.0712 3.0712 6.2150 6.2150 6.2150 6.2150 7.2614 7.2614 7.2614 7.2614 7.9899 7.9899 7.9899 7.9899 10.9948 10.9948 10.9948 10.9948 11.2476 11.2476 11.2476 11.2476 11.4761 11.4761 11.4761 11.4761 14.9918 14.9918 14.9918 14.9918 16.1108 16.1108 16.1108 16.1108 k = 0.5000 0.5000 0.1878 ( 3624 PWs) bands (ev): -41.1805 -41.1805 -41.1805 -41.1805 -18.8384 -18.8384 -18.8384 -18.8384 -16.8049 -16.8049 -16.8049 -16.8049 -16.7111 -16.7111 -16.7111 -16.7111 3.0725 3.0725 3.0725 3.0725 6.2162 6.2162 6.2162 6.2162 7.2484 7.2484 7.2484 7.2484 7.9863 7.9863 7.9863 7.9863 11.0348 11.0348 11.0348 11.0348 11.2783 11.2783 11.2783 11.2783 11.4521 11.4521 11.4521 11.4521 14.9284 14.9284 14.9284 14.9284 16.1107 16.1107 16.1107 16.1107 k = 0.5000 0.5000 0.1989 ( 3632 PWs) bands (ev): -41.1806 -41.1806 -41.1806 -41.1806 -18.8384 -18.8384 -18.8384 -18.8384 -16.8049 -16.8049 -16.8049 -16.8049 -16.7111 -16.7111 -16.7111 -16.7111 3.0735 3.0735 3.0735 3.0735 6.2171 6.2171 6.2171 6.2171 7.2390 7.2390 7.2390 7.2390 7.9836 7.9836 7.9836 7.9836 11.0642 11.0642 11.0642 11.0642 11.3076 11.3076 11.3076 11.3076 11.4281 11.4281 11.4281 11.4281 14.8818 14.8818 14.8818 14.8818 16.1107 16.1107 16.1107 16.1107 k = 0.5000 0.5000 0.2099 ( 3632 PWs) bands (ev): -41.1806 -41.1806 -41.1806 -41.1806 -18.8384 -18.8384 -18.8384 -18.8384 -16.8049 -16.8049 -16.8049 -16.8049 -16.7111 -16.7111 -16.7111 -16.7111 3.0741 3.0741 3.0741 3.0741 6.2176 6.2176 6.2176 6.2176 7.2333 7.2333 7.2333 7.2333 7.9820 7.9820 7.9820 7.9820 11.0823 11.0823 11.0823 11.0823 11.3336 11.3336 11.3336 11.3336 11.4054 11.4054 11.4054 11.4054 14.8532 14.8532 14.8532 14.8532 16.1107 16.1107 16.1107 16.1107 k = 0.5000 0.5000 0.2210 ( 3632 PWs) bands (ev): -41.1806 -41.1806 -41.1806 -41.1806 -18.8384 -18.8384 -18.8384 -18.8384 -16.8049 -16.8049 -16.8049 -16.8049 -16.7111 -16.7111 -16.7111 -16.7111 3.0743 3.0743 3.0743 3.0743 6.2178 6.2178 6.2178 6.2178 7.2314 7.2314 7.2314 7.2314 7.9815 7.9815 7.9815 7.9815 11.0884 11.0884 11.0884 11.0884 11.3473 11.3473 11.3473 11.3473 11.3928 11.3928 11.3928 11.3928 14.8436 14.8436 14.8436 14.8436 16.1107 16.1107 16.1107 16.1107 Writing output data file NbSiAs.save init_run : 0.22s CPU 0.36s WALL ( 1 calls) electrons : 147.54s CPU 150.04s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 147.53s CPU 150.03s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.06s CPU 0.08s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.06s WALL ( 377 calls) cegterg : 130.84s CPU 132.76s WALL ( 403 calls) Called by sum_band: Called by *egterg: h_psi : 67.21s CPU 68.45s WALL ( 7253 calls) s_psi : 5.92s CPU 5.97s WALL ( 7253 calls) g_psi : 0.18s CPU 0.21s WALL ( 6473 calls) cdiaghg : 53.88s CPU 54.58s WALL ( 6850 calls) cegterg:over : 5.87s CPU 5.92s WALL ( 6473 calls) cegterg:upda : 4.78s CPU 4.88s WALL ( 6473 calls) cegterg:last : 2.62s CPU 2.64s WALL ( 1157 calls) cdiaghg:chol : 3.07s CPU 3.09s WALL ( 6850 calls) cdiaghg:inve : 2.22s CPU 2.07s WALL ( 6850 calls) cdiaghg:para : 3.42s CPU 3.36s WALL ( 13700 calls) Called by h_psi: h_psi:vloc : 53.05s CPU 53.91s WALL ( 7253 calls) h_psi:vnl : 14.00s CPU 14.33s WALL ( 7253 calls) add_vuspsi : 6.97s CPU 7.26s WALL ( 7253 calls) General routines calbec : 6.99s CPU 7.05s WALL ( 7253 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 50.00s CPU 50.65s WALL ( 857104 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.20s CPU 0.21s WALL ( 754 calls) Parallel routines fft_scatter : 21.96s CPU 22.08s WALL ( 857127 calls) PWSCF : 2m44.97s CPU 2m58.06s WALL This run was terminated on: 13:20:10 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=