Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 13:22:31 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: ./TaSiAs.save/ 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 16 5 1311 703 118 Max 26 17 7 1318 719 123 Sum 933 609 185 47281 25567 4315 bravais-lattice index = 14 lattice parameter (alat) = 6.6122 a.u. unit-cell volume = 649.1441 (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 = 44.0000 Ry charge density cutoff = 265.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.612151 celldm(2)= 1.000000 celldm(3)= 2.245499 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 2.245499 ) 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 0.445335 ) 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 Ta read from file: /users/gautes/Pseudo/Ta.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: ce7a4fa75595c0f83f911fa846a48acf 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 1273 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) Ta 13.00 180.94790 Ta( 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 0.0111334), wk = 0.0026525 k( 160) = ( 0.0000000 0.0000000 0.0222668), wk = 0.0026525 k( 161) = ( 0.0000000 0.0000000 0.0334002), wk = 0.0026525 k( 162) = ( 0.0000000 0.0000000 0.0445335), wk = 0.0026525 k( 163) = ( 0.0000000 0.0000000 0.0556669), wk = 0.0026525 k( 164) = ( 0.0000000 0.0000000 0.0668003), wk = 0.0026525 k( 165) = ( 0.0000000 0.0000000 0.0779337), wk = 0.0026525 k( 166) = ( 0.0000000 0.0000000 0.0890671), wk = 0.0026525 k( 167) = ( 0.0000000 0.0000000 0.1002005), wk = 0.0026525 k( 168) = ( 0.0000000 0.0000000 0.1113338), wk = 0.0026525 k( 169) = ( 0.0000000 0.0000000 0.1224672), wk = 0.0026525 k( 170) = ( 0.0000000 0.0000000 0.1336006), wk = 0.0026525 k( 171) = ( 0.0000000 0.0000000 0.1447340), wk = 0.0026525 k( 172) = ( 0.0000000 0.0000000 0.1558674), wk = 0.0026525 k( 173) = ( 0.0000000 0.0000000 0.1670008), wk = 0.0026525 k( 174) = ( 0.0000000 0.0000000 0.1781341), wk = 0.0026525 k( 175) = ( 0.0000000 0.0000000 0.1892675), wk = 0.0026525 k( 176) = ( 0.0000000 0.0000000 0.2004009), wk = 0.0026525 k( 177) = ( 0.0000000 0.0000000 0.2115343), wk = 0.0026525 k( 178) = ( 0.0000000 0.0000000 0.2226677), wk = 0.0026525 k( 179) = ( 0.0000000 0.0000000 0.2226677), wk = 0.0026525 k( 180) = ( 0.0000000 0.0111111 0.2226677), wk = 0.0026525 k( 181) = ( 0.0000000 0.0222222 0.2226677), wk = 0.0026525 k( 182) = ( 0.0000000 0.0333333 0.2226677), wk = 0.0026525 k( 183) = ( 0.0000000 0.0444444 0.2226677), wk = 0.0026525 k( 184) = ( 0.0000000 0.0555556 0.2226677), wk = 0.0026525 k( 185) = ( 0.0000000 0.0666667 0.2226677), wk = 0.0026525 k( 186) = ( 0.0000000 0.0777778 0.2226677), wk = 0.0026525 k( 187) = ( 0.0000000 0.0888889 0.2226677), wk = 0.0026525 k( 188) = ( 0.0000000 0.1000000 0.2226677), wk = 0.0026525 k( 189) = ( 0.0000000 0.1111111 0.2226677), wk = 0.0026525 k( 190) = ( 0.0000000 0.1222222 0.2226677), wk = 0.0026525 k( 191) = ( 0.0000000 0.1333333 0.2226677), wk = 0.0026525 k( 192) = ( 0.0000000 0.1444444 0.2226677), wk = 0.0026525 k( 193) = ( 0.0000000 0.1555556 0.2226677), wk = 0.0026525 k( 194) = ( 0.0000000 0.1666667 0.2226677), wk = 0.0026525 k( 195) = ( 0.0000000 0.1777778 0.2226677), wk = 0.0026525 k( 196) = ( 0.0000000 0.1888889 0.2226677), wk = 0.0026525 k( 197) = ( 0.0000000 0.2000000 0.2226677), wk = 0.0026525 k( 198) = ( 0.0000000 0.2111111 0.2226677), wk = 0.0026525 k( 199) = ( 0.0000000 0.2222222 0.2226677), wk = 0.0026525 k( 200) = ( 0.0000000 0.2333333 0.2226677), wk = 0.0026525 k( 201) = ( 0.0000000 0.2444444 0.2226677), wk = 0.0026525 k( 202) = ( 0.0000000 0.2555556 0.2226677), wk = 0.0026525 k( 203) = ( 0.0000000 0.2666667 0.2226677), wk = 0.0026525 k( 204) = ( 0.0000000 0.2777778 0.2226677), wk = 0.0026525 k( 205) = ( 0.0000000 0.2888889 0.2226677), wk = 0.0026525 k( 206) = ( 0.0000000 0.3000000 0.2226677), wk = 0.0026525 k( 207) = ( 0.0000000 0.3111111 0.2226677), wk = 0.0026525 k( 208) = ( 0.0000000 0.3222222 0.2226677), wk = 0.0026525 k( 209) = ( 0.0000000 0.3333333 0.2226677), wk = 0.0026525 k( 210) = ( 0.0000000 0.3444444 0.2226677), wk = 0.0026525 k( 211) = ( 0.0000000 0.3555556 0.2226677), wk = 0.0026525 k( 212) = ( 0.0000000 0.3666667 0.2226677), wk = 0.0026525 k( 213) = ( 0.0000000 0.3777778 0.2226677), wk = 0.0026525 k( 214) = ( 0.0000000 0.3888889 0.2226677), wk = 0.0026525 k( 215) = ( 0.0000000 0.4000000 0.2226677), wk = 0.0026525 k( 216) = ( 0.0000000 0.4111111 0.2226677), wk = 0.0026525 k( 217) = ( 0.0000000 0.4222222 0.2226677), wk = 0.0026525 k( 218) = ( 0.0000000 0.4333333 0.2226677), wk = 0.0026525 k( 219) = ( 0.0000000 0.4444444 0.2226677), wk = 0.0026525 k( 220) = ( 0.0000000 0.4555556 0.2226677), wk = 0.0026525 k( 221) = ( 0.0000000 0.4666667 0.2226677), wk = 0.0026525 k( 222) = ( 0.0000000 0.4777778 0.2226677), wk = 0.0026525 k( 223) = ( 0.0000000 0.4888889 0.2226677), wk = 0.0026525 k( 224) = ( 0.0000000 0.5000000 0.2226677), wk = 0.0026525 k( 225) = ( 0.0000000 0.5000000 0.2226677), wk = 0.0026525 k( 226) = ( 0.0111111 0.5000000 0.2226677), wk = 0.0026525 k( 227) = ( 0.0222222 0.5000000 0.2226677), wk = 0.0026525 k( 228) = ( 0.0333333 0.5000000 0.2226677), wk = 0.0026525 k( 229) = ( 0.0444444 0.5000000 0.2226677), wk = 0.0026525 k( 230) = ( 0.0555556 0.5000000 0.2226677), wk = 0.0026525 k( 231) = ( 0.0666667 0.5000000 0.2226677), wk = 0.0026525 k( 232) = ( 0.0777778 0.5000000 0.2226677), wk = 0.0026525 k( 233) = ( 0.0888889 0.5000000 0.2226677), wk = 0.0026525 k( 234) = ( 0.1000000 0.5000000 0.2226677), wk = 0.0026525 k( 235) = ( 0.1111111 0.5000000 0.2226677), wk = 0.0026525 k( 236) = ( 0.1222222 0.5000000 0.2226677), wk = 0.0026525 k( 237) = ( 0.1333333 0.5000000 0.2226677), wk = 0.0026525 k( 238) = ( 0.1444444 0.5000000 0.2226677), wk = 0.0026525 k( 239) = ( 0.1555556 0.5000000 0.2226677), wk = 0.0026525 k( 240) = ( 0.1666667 0.5000000 0.2226677), wk = 0.0026525 k( 241) = ( 0.1777778 0.5000000 0.2226677), wk = 0.0026525 k( 242) = ( 0.1888889 0.5000000 0.2226677), wk = 0.0026525 k( 243) = ( 0.2000000 0.5000000 0.2226677), wk = 0.0026525 k( 244) = ( 0.2111111 0.5000000 0.2226677), wk = 0.0026525 k( 245) = ( 0.2222222 0.5000000 0.2226677), wk = 0.0026525 k( 246) = ( 0.2333333 0.5000000 0.2226677), wk = 0.0026525 k( 247) = ( 0.2444444 0.5000000 0.2226677), wk = 0.0026525 k( 248) = ( 0.2555556 0.5000000 0.2226677), wk = 0.0026525 k( 249) = ( 0.2666667 0.5000000 0.2226677), wk = 0.0026525 k( 250) = ( 0.2777778 0.5000000 0.2226677), wk = 0.0026525 k( 251) = ( 0.2888889 0.5000000 0.2226677), wk = 0.0026525 k( 252) = ( 0.3000000 0.5000000 0.2226677), wk = 0.0026525 k( 253) = ( 0.3111111 0.5000000 0.2226677), wk = 0.0026525 k( 254) = ( 0.3222222 0.5000000 0.2226677), wk = 0.0026525 k( 255) = ( 0.3333333 0.5000000 0.2226677), wk = 0.0026525 k( 256) = ( 0.3444444 0.5000000 0.2226677), wk = 0.0026525 k( 257) = ( 0.3555556 0.5000000 0.2226677), wk = 0.0026525 k( 258) = ( 0.3666667 0.5000000 0.2226677), wk = 0.0026525 k( 259) = ( 0.3777778 0.5000000 0.2226677), wk = 0.0026525 k( 260) = ( 0.3888889 0.5000000 0.2226677), wk = 0.0026525 k( 261) = ( 0.4000000 0.5000000 0.2226677), wk = 0.0026525 k( 262) = ( 0.4111111 0.5000000 0.2226677), wk = 0.0026525 k( 263) = ( 0.4222222 0.5000000 0.2226677), wk = 0.0026525 k( 264) = ( 0.4333333 0.5000000 0.2226677), wk = 0.0026525 k( 265) = ( 0.4444444 0.5000000 0.2226677), wk = 0.0026525 k( 266) = ( 0.4555556 0.5000000 0.2226677), wk = 0.0026525 k( 267) = ( 0.4666667 0.5000000 0.2226677), wk = 0.0026525 k( 268) = ( 0.4777778 0.5000000 0.2226677), wk = 0.0026525 k( 269) = ( 0.4888889 0.5000000 0.2226677), wk = 0.0026525 k( 270) = ( 0.5000000 0.5000000 0.2226677), wk = 0.0026525 k( 271) = ( 0.5000000 0.5000000 0.2226677), wk = 0.0026525 k( 272) = ( 0.4921875 0.4921875 0.2226677), wk = 0.0026525 k( 273) = ( 0.4843750 0.4843750 0.2226677), wk = 0.0026525 k( 274) = ( 0.4765625 0.4765625 0.2226677), wk = 0.0026525 k( 275) = ( 0.4687500 0.4687500 0.2226677), wk = 0.0026525 k( 276) = ( 0.4609375 0.4609375 0.2226677), wk = 0.0026525 k( 277) = ( 0.4531250 0.4531250 0.2226677), wk = 0.0026525 k( 278) = ( 0.4453125 0.4453125 0.2226677), wk = 0.0026525 k( 279) = ( 0.4375000 0.4375000 0.2226677), wk = 0.0026525 k( 280) = ( 0.4296875 0.4296875 0.2226677), wk = 0.0026525 k( 281) = ( 0.4218750 0.4218750 0.2226677), wk = 0.0026525 k( 282) = ( 0.4140625 0.4140625 0.2226677), wk = 0.0026525 k( 283) = ( 0.4062500 0.4062500 0.2226677), wk = 0.0026525 k( 284) = ( 0.3984375 0.3984375 0.2226677), wk = 0.0026525 k( 285) = ( 0.3906250 0.3906250 0.2226677), wk = 0.0026525 k( 286) = ( 0.3828125 0.3828125 0.2226677), wk = 0.0026525 k( 287) = ( 0.3750000 0.3750000 0.2226677), wk = 0.0026525 k( 288) = ( 0.3671875 0.3671875 0.2226677), wk = 0.0026525 k( 289) = ( 0.3593750 0.3593750 0.2226677), wk = 0.0026525 k( 290) = ( 0.3515625 0.3515625 0.2226677), wk = 0.0026525 k( 291) = ( 0.3437500 0.3437500 0.2226677), wk = 0.0026525 k( 292) = ( 0.3359375 0.3359375 0.2226677), wk = 0.0026525 k( 293) = ( 0.3281250 0.3281250 0.2226677), wk = 0.0026525 k( 294) = ( 0.3203125 0.3203125 0.2226677), wk = 0.0026525 k( 295) = ( 0.3125000 0.3125000 0.2226677), wk = 0.0026525 k( 296) = ( 0.3046875 0.3046875 0.2226677), wk = 0.0026525 k( 297) = ( 0.2968750 0.2968750 0.2226677), wk = 0.0026525 k( 298) = ( 0.2890625 0.2890625 0.2226677), wk = 0.0026525 k( 299) = ( 0.2812500 0.2812500 0.2226677), wk = 0.0026525 k( 300) = ( 0.2734375 0.2734375 0.2226677), wk = 0.0026525 k( 301) = ( 0.2656250 0.2656250 0.2226677), wk = 0.0026525 k( 302) = ( 0.2578125 0.2578125 0.2226677), wk = 0.0026525 k( 303) = ( 0.2500000 0.2500000 0.2226677), wk = 0.0026525 k( 304) = ( 0.2421875 0.2421875 0.2226677), wk = 0.0026525 k( 305) = ( 0.2343750 0.2343750 0.2226677), wk = 0.0026525 k( 306) = ( 0.2265625 0.2265625 0.2226677), wk = 0.0026525 k( 307) = ( 0.2187500 0.2187500 0.2226677), wk = 0.0026525 k( 308) = ( 0.2109375 0.2109375 0.2226677), wk = 0.0026525 k( 309) = ( 0.2031250 0.2031250 0.2226677), wk = 0.0026525 k( 310) = ( 0.1953125 0.1953125 0.2226677), wk = 0.0026525 k( 311) = ( 0.1875000 0.1875000 0.2226677), wk = 0.0026525 k( 312) = ( 0.1796875 0.1796875 0.2226677), wk = 0.0026525 k( 313) = ( 0.1718750 0.1718750 0.2226677), wk = 0.0026525 k( 314) = ( 0.1640625 0.1640625 0.2226677), wk = 0.0026525 k( 315) = ( 0.1562500 0.1562500 0.2226677), wk = 0.0026525 k( 316) = ( 0.1484375 0.1484375 0.2226677), wk = 0.0026525 k( 317) = ( 0.1406250 0.1406250 0.2226677), wk = 0.0026525 k( 318) = ( 0.1328125 0.1328125 0.2226677), wk = 0.0026525 k( 319) = ( 0.1250000 0.1250000 0.2226677), wk = 0.0026525 k( 320) = ( 0.1171875 0.1171875 0.2226677), wk = 0.0026525 k( 321) = ( 0.1093750 0.1093750 0.2226677), wk = 0.0026525 k( 322) = ( 0.1015625 0.1015625 0.2226677), wk = 0.0026525 k( 323) = ( 0.0937500 0.0937500 0.2226677), wk = 0.0026525 k( 324) = ( 0.0859375 0.0859375 0.2226677), wk = 0.0026525 k( 325) = ( 0.0781250 0.0781250 0.2226677), wk = 0.0026525 k( 326) = ( 0.0703125 0.0703125 0.2226677), wk = 0.0026525 k( 327) = ( 0.0625000 0.0625000 0.2226677), wk = 0.0026525 k( 328) = ( 0.0546875 0.0546875 0.2226677), wk = 0.0026525 k( 329) = ( 0.0468750 0.0468750 0.2226677), wk = 0.0026525 k( 330) = ( 0.0390625 0.0390625 0.2226677), wk = 0.0026525 k( 331) = ( 0.0312500 0.0312500 0.2226677), wk = 0.0026525 k( 332) = ( 0.0234375 0.0234375 0.2226677), wk = 0.0026525 k( 333) = ( 0.0156250 0.0156250 0.2226677), wk = 0.0026525 k( 334) = ( 0.0078125 0.0078125 0.2226677), wk = 0.0026525 k( 335) = ( 0.0000000 0.0000000 0.2226677), wk = 0.0026525 k( 336) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026525 k( 337) = ( 0.0000000 0.5000000 0.0111334), wk = 0.0026525 k( 338) = ( 0.0000000 0.5000000 0.0222668), wk = 0.0026525 k( 339) = ( 0.0000000 0.5000000 0.0334002), wk = 0.0026525 k( 340) = ( 0.0000000 0.5000000 0.0445335), wk = 0.0026525 k( 341) = ( 0.0000000 0.5000000 0.0556669), wk = 0.0026525 k( 342) = ( 0.0000000 0.5000000 0.0668003), wk = 0.0026525 k( 343) = ( 0.0000000 0.5000000 0.0779337), wk = 0.0026525 k( 344) = ( 0.0000000 0.5000000 0.0890671), wk = 0.0026525 k( 345) = ( 0.0000000 0.5000000 0.1002005), wk = 0.0026525 k( 346) = ( 0.0000000 0.5000000 0.1113338), wk = 0.0026525 k( 347) = ( 0.0000000 0.5000000 0.1224672), wk = 0.0026525 k( 348) = ( 0.0000000 0.5000000 0.1336006), wk = 0.0026525 k( 349) = ( 0.0000000 0.5000000 0.1447340), wk = 0.0026525 k( 350) = ( 0.0000000 0.5000000 0.1558674), wk = 0.0026525 k( 351) = ( 0.0000000 0.5000000 0.1670008), wk = 0.0026525 k( 352) = ( 0.0000000 0.5000000 0.1781341), wk = 0.0026525 k( 353) = ( 0.0000000 0.5000000 0.1892675), wk = 0.0026525 k( 354) = ( 0.0000000 0.5000000 0.2004009), wk = 0.0026525 k( 355) = ( 0.0000000 0.5000000 0.2115343), wk = 0.0026525 k( 356) = ( 0.0000000 0.5000000 0.2226677), wk = 0.0026525 k( 357) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026525 k( 358) = ( 0.5000000 0.5000000 0.0111334), wk = 0.0026525 k( 359) = ( 0.5000000 0.5000000 0.0222668), wk = 0.0026525 k( 360) = ( 0.5000000 0.5000000 0.0334002), wk = 0.0026525 k( 361) = ( 0.5000000 0.5000000 0.0445335), wk = 0.0026525 k( 362) = ( 0.5000000 0.5000000 0.0556669), wk = 0.0026525 k( 363) = ( 0.5000000 0.5000000 0.0668003), wk = 0.0026525 k( 364) = ( 0.5000000 0.5000000 0.0779337), wk = 0.0026525 k( 365) = ( 0.5000000 0.5000000 0.0890671), wk = 0.0026525 k( 366) = ( 0.5000000 0.5000000 0.1002005), wk = 0.0026525 k( 367) = ( 0.5000000 0.5000000 0.1113338), wk = 0.0026525 k( 368) = ( 0.5000000 0.5000000 0.1224672), wk = 0.0026525 k( 369) = ( 0.5000000 0.5000000 0.1336006), wk = 0.0026525 k( 370) = ( 0.5000000 0.5000000 0.1447340), wk = 0.0026525 k( 371) = ( 0.5000000 0.5000000 0.1558674), wk = 0.0026525 k( 372) = ( 0.5000000 0.5000000 0.1670008), wk = 0.0026525 k( 373) = ( 0.5000000 0.5000000 0.1781341), wk = 0.0026525 k( 374) = ( 0.5000000 0.5000000 0.1892675), wk = 0.0026525 k( 375) = ( 0.5000000 0.5000000 0.2004009), wk = 0.0026525 k( 376) = ( 0.5000000 0.5000000 0.2115343), wk = 0.0026525 k( 377) = ( 0.5000000 0.5000000 0.2226677), 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: 47281 G-vectors FFT dimensions: ( 36, 36, 80) Smooth grid: 25567 G-vectors FFT dimensions: ( 27, 27, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.14 Mb ( 182, 52) NL pseudopotentials 0.23 Mb ( 91, 164) Each V/rho on FFT grid 0.06 Mb ( 3888) Each G-vector array 0.01 Mb ( 1318) G-vector shells 0.01 Mb ( 672) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.58 Mb ( 182, 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 : ./TaSiAs.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.9 secs Computing kpt #: 2 total cpu time spent up to now is 3.3 secs Computing kpt #: 3 total cpu time spent up to now is 3.6 secs Computing kpt #: 4 total cpu time spent up to now is 4.0 secs Computing kpt #: 5 total cpu time spent up to now is 4.3 secs Computing kpt #: 6 total cpu time spent up to now is 4.7 secs Computing kpt #: 7 total cpu time spent up to now is 5.1 secs Computing kpt #: 8 total cpu time spent up to now is 5.6 secs Computing kpt #: 9 total cpu time spent up to now is 6.0 secs Computing kpt #: 10 total cpu time spent up to now is 6.4 secs Computing kpt #: 11 total cpu time spent up to now is 6.7 secs Computing kpt #: 12 total cpu time spent up to now is 7.1 secs Computing kpt #: 13 total cpu time spent up to now is 7.4 secs Computing kpt #: 14 total cpu time spent up to now is 7.8 secs Computing kpt #: 15 total cpu time spent up to now is 8.1 secs Computing kpt #: 16 total cpu time spent up to now is 8.4 secs Computing kpt #: 17 total cpu time spent up to now is 8.8 secs Computing kpt #: 18 total cpu time spent up to now is 9.1 secs Computing kpt #: 19 total cpu time spent up to now is 9.4 secs Computing kpt #: 20 total cpu time spent up to now is 9.8 secs Computing kpt #: 21 total cpu time spent up to now is 10.1 secs Computing kpt #: 22 total cpu time spent up to now is 10.4 secs Computing kpt #: 23 total cpu time spent up to now is 10.8 secs Computing kpt #: 24 total cpu time spent up to now is 11.1 secs Computing kpt #: 25 total cpu time spent up to now is 11.4 secs Computing kpt #: 26 total cpu time spent up to now is 11.7 secs Computing kpt #: 27 total cpu time spent up to now is 12.1 secs Computing kpt #: 28 total cpu time spent up to now is 12.4 secs Computing kpt #: 29 total cpu time spent up to now is 12.8 secs Computing kpt #: 30 total cpu time spent up to now is 13.1 secs Computing kpt #: 31 total cpu time spent up to now is 13.5 secs Computing kpt #: 32 total cpu time spent up to now is 13.8 secs Computing kpt #: 33 total cpu time spent up to now is 14.2 secs Computing kpt #: 34 total cpu time spent up to now is 14.6 secs Computing kpt #: 35 total cpu time spent up to now is 15.0 secs Computing kpt #: 36 total cpu time spent up to now is 15.5 secs Computing kpt #: 37 total cpu time spent up to now is 15.9 secs Computing kpt #: 38 total cpu time spent up to now is 16.3 secs Computing kpt #: 39 total cpu time spent up to now is 16.7 secs Computing kpt #: 40 total cpu time spent up to now is 17.2 secs Computing kpt #: 41 total cpu time spent up to now is 17.6 secs Computing kpt #: 42 total cpu time spent up to now is 18.0 secs Computing kpt #: 43 total cpu time spent up to now is 18.4 secs Computing kpt #: 44 total cpu time spent up to now is 18.8 secs Computing kpt #: 45 total cpu time spent up to now is 19.2 secs Computing kpt #: 46 total cpu time spent up to now is 19.6 secs Computing kpt #: 47 total cpu time spent up to now is 20.1 secs Computing kpt #: 48 total cpu time spent up to now is 20.5 secs Computing kpt #: 49 total cpu time spent up to now is 20.9 secs Computing kpt #: 50 total cpu time spent up to now is 21.3 secs Computing kpt #: 51 total cpu time spent up to now is 21.8 secs Computing kpt #: 52 total cpu time spent up to now is 22.3 secs Computing kpt #: 53 total cpu time spent up to now is 22.7 secs Computing kpt #: 54 total cpu time spent up to now is 23.1 secs Computing kpt #: 55 total cpu time spent up to now is 23.5 secs Computing kpt #: 56 total cpu time spent up to now is 24.0 secs Computing kpt #: 57 total cpu time spent up to now is 24.4 secs Computing kpt #: 58 total cpu time spent up to now is 24.8 secs Computing kpt #: 59 total cpu time spent up to now is 25.2 secs Computing kpt #: 60 total cpu time spent up to now is 25.6 secs Computing kpt #: 61 total cpu time spent up to now is 26.0 secs Computing kpt #: 62 total cpu time spent up to now is 26.4 secs Computing kpt #: 63 total cpu time spent up to now is 26.9 secs Computing kpt #: 64 total cpu time spent up to now is 27.3 secs Computing kpt #: 65 total cpu time spent up to now is 27.7 secs Computing kpt #: 66 total cpu time spent up to now is 28.1 secs Computing kpt #: 67 total cpu time spent up to now is 28.5 secs Computing kpt #: 68 total cpu time spent up to now is 28.9 secs Computing kpt #: 69 total cpu time spent up to now is 29.3 secs Computing kpt #: 70 total cpu time spent up to now is 29.7 secs Computing kpt #: 71 total cpu time spent up to now is 30.1 secs Computing kpt #: 72 total cpu time spent up to now is 30.5 secs Computing kpt #: 73 total cpu time spent up to now is 30.9 secs Computing kpt #: 74 total cpu time spent up to now is 31.4 secs Computing kpt #: 75 total cpu time spent up to now is 31.8 secs Computing kpt #: 76 total cpu time spent up to now is 32.2 secs Computing kpt #: 77 total cpu time spent up to now is 32.6 secs Computing kpt #: 78 total cpu time spent up to now is 33.0 secs Computing kpt #: 79 total cpu time spent up to now is 33.4 secs Computing kpt #: 80 total cpu time spent up to now is 33.8 secs Computing kpt #: 81 total cpu time spent up to now is 34.2 secs Computing kpt #: 82 total cpu time spent up to now is 34.6 secs Computing kpt #: 83 total cpu time spent up to now is 35.0 secs Computing kpt #: 84 total cpu time spent up to now is 35.4 secs Computing kpt #: 85 total cpu time spent up to now is 35.8 secs Computing kpt #: 86 total cpu time spent up to now is 36.2 secs Computing kpt #: 87 total cpu time spent up to now is 36.6 secs Computing kpt #: 88 total cpu time spent up to now is 37.0 secs Computing kpt #: 89 total cpu time spent up to now is 37.4 secs Computing kpt #: 90 total cpu time spent up to now is 37.8 secs Computing kpt #: 91 total cpu time spent up to now is 38.2 secs Computing kpt #: 92 total cpu time spent up to now is 38.6 secs Computing kpt #: 93 total cpu time spent up to now is 38.9 secs Computing kpt #: 94 total cpu time spent up to now is 39.3 secs Computing kpt #: 95 total cpu time spent up to now is 39.7 secs Computing kpt #: 96 total cpu time spent up to now is 40.1 secs Computing kpt #: 97 total cpu time spent up to now is 40.5 secs Computing kpt #: 98 total cpu time spent up to now is 40.9 secs Computing kpt #: 99 total cpu time spent up to now is 41.3 secs Computing kpt #: 100 total cpu time spent up to now is 41.7 secs Computing kpt #: 101 total cpu time spent up to now is 42.1 secs Computing kpt #: 102 total cpu time spent up to now is 42.5 secs Computing kpt #: 103 total cpu time spent up to now is 42.9 secs Computing kpt #: 104 total cpu time spent up to now is 43.4 secs Computing kpt #: 105 total cpu time spent up to now is 43.8 secs Computing kpt #: 106 total cpu time spent up to now is 44.2 secs Computing kpt #: 107 total cpu time spent up to now is 44.7 secs Computing kpt #: 108 total cpu time spent up to now is 45.1 secs Computing kpt #: 109 total cpu time spent up to now is 45.5 secs Computing kpt #: 110 total cpu time spent up to now is 45.9 secs Computing kpt #: 111 total cpu time spent up to now is 46.4 secs Computing kpt #: 112 total cpu time spent up to now is 46.8 secs Computing kpt #: 113 total cpu time spent up to now is 47.2 secs Computing kpt #: 114 total cpu time spent up to now is 47.6 secs Computing kpt #: 115 total cpu time spent up to now is 48.0 secs Computing kpt #: 116 total cpu time spent up to now is 48.4 secs Computing kpt #: 117 total cpu time spent up to now is 48.8 secs Computing kpt #: 118 total cpu time spent up to now is 49.1 secs Computing kpt #: 119 total cpu time spent up to now is 49.5 secs Computing kpt #: 120 total cpu time spent up to now is 50.0 secs Computing kpt #: 121 total cpu time spent up to now is 50.4 secs Computing kpt #: 122 total cpu time spent up to now is 50.9 secs Computing kpt #: 123 total cpu time spent up to now is 51.2 secs Computing kpt #: 124 total cpu time spent up to now is 51.6 secs Computing kpt #: 125 total cpu time spent up to now is 52.0 secs Computing kpt #: 126 total cpu time spent up to now is 52.3 secs Computing kpt #: 127 total cpu time spent up to now is 52.7 secs Computing kpt #: 128 total cpu time spent up to now is 53.1 secs Computing kpt #: 129 total cpu time spent up to now is 53.4 secs Computing kpt #: 130 total cpu time spent up to now is 53.8 secs Computing kpt #: 131 total cpu time spent up to now is 54.1 secs Computing kpt #: 132 total cpu time spent up to now is 54.5 secs Computing kpt #: 133 total cpu time spent up to now is 54.8 secs Computing kpt #: 134 total cpu time spent up to now is 55.2 secs Computing kpt #: 135 total cpu time spent up to now is 55.5 secs Computing kpt #: 136 total cpu time spent up to now is 55.9 secs Computing kpt #: 137 total cpu time spent up to now is 56.3 secs Computing kpt #: 138 total cpu time spent up to now is 56.6 secs Computing kpt #: 139 total cpu time spent up to now is 57.0 secs Computing kpt #: 140 total cpu time spent up to now is 57.4 secs Computing kpt #: 141 total cpu time spent up to now is 57.8 secs Computing kpt #: 142 total cpu time spent up to now is 58.2 secs Computing kpt #: 143 total cpu time spent up to now is 58.6 secs Computing kpt #: 144 total cpu time spent up to now is 59.0 secs Computing kpt #: 145 total cpu time spent up to now is 59.4 secs Computing kpt #: 146 total cpu time spent up to now is 59.7 secs Computing kpt #: 147 total cpu time spent up to now is 60.1 secs Computing kpt #: 148 total cpu time spent up to now is 60.5 secs Computing kpt #: 149 total cpu time spent up to now is 60.8 secs Computing kpt #: 150 total cpu time spent up to now is 61.1 secs Computing kpt #: 151 total cpu time spent up to now is 61.5 secs Computing kpt #: 152 total cpu time spent up to now is 61.8 secs Computing kpt #: 153 total cpu time spent up to now is 62.2 secs Computing kpt #: 154 total cpu time spent up to now is 62.5 secs Computing kpt #: 155 total cpu time spent up to now is 62.9 secs Computing kpt #: 156 total cpu time spent up to now is 63.2 secs Computing kpt #: 157 total cpu time spent up to now is 63.5 secs Computing kpt #: 158 total cpu time spent up to now is 63.9 secs Computing kpt #: 159 total cpu time spent up to now is 64.2 secs Computing kpt #: 160 total cpu time spent up to now is 64.5 secs Computing kpt #: 161 total cpu time spent up to now is 64.8 secs Computing kpt #: 162 total cpu time spent up to now is 65.2 secs Computing kpt #: 163 total cpu time spent up to now is 65.5 secs Computing kpt #: 164 total cpu time spent up to now is 65.8 secs Computing kpt #: 165 total cpu time spent up to now is 66.2 secs Computing kpt #: 166 total cpu time spent up to now is 66.5 secs Computing kpt #: 167 total cpu time spent up to now is 66.9 secs Computing kpt #: 168 total cpu time spent up to now is 67.3 secs Computing kpt #: 169 total cpu time spent up to now is 67.7 secs Computing kpt #: 170 total cpu time spent up to now is 68.1 secs Computing kpt #: 171 total cpu time spent up to now is 68.5 secs Computing kpt #: 172 total cpu time spent up to now is 68.9 secs Computing kpt #: 173 total cpu time spent up to now is 69.3 secs Computing kpt #: 174 total cpu time spent up to now is 69.7 secs Computing kpt #: 175 total cpu time spent up to now is 70.1 secs Computing kpt #: 176 total cpu time spent up to now is 70.5 secs Computing kpt #: 177 total cpu time spent up to now is 70.9 secs Computing kpt #: 178 total cpu time spent up to now is 71.3 secs Computing kpt #: 179 total cpu time spent up to now is 71.7 secs Computing kpt #: 180 total cpu time spent up to now is 72.1 secs Computing kpt #: 181 total cpu time spent up to now is 72.5 secs Computing kpt #: 182 total cpu time spent up to now is 72.9 secs Computing kpt #: 183 total cpu time spent up to now is 73.3 secs Computing kpt #: 184 total cpu time spent up to now is 73.7 secs Computing kpt #: 185 total cpu time spent up to now is 74.1 secs Computing kpt #: 186 total cpu time spent up to now is 74.5 secs Computing kpt #: 187 total cpu time spent up to now is 74.9 secs Computing kpt #: 188 total cpu time spent up to now is 75.3 secs Computing kpt #: 189 total cpu time spent up to now is 75.8 secs Computing kpt #: 190 total cpu time spent up to now is 76.2 secs Computing kpt #: 191 total cpu time spent up to now is 76.6 secs Computing kpt #: 192 total cpu time spent up to now is 77.0 secs Computing kpt #: 193 total cpu time spent up to now is 77.4 secs Computing kpt #: 194 total cpu time spent up to now is 77.8 secs Computing kpt #: 195 total cpu time spent up to now is 78.2 secs Computing kpt #: 196 total cpu time spent up to now is 78.7 secs Computing kpt #: 197 total cpu time spent up to now is 79.1 secs Computing kpt #: 198 total cpu time spent up to now is 79.6 secs Computing kpt #: 199 total cpu time spent up to now is 80.0 secs Computing kpt #: 200 total cpu time spent up to now is 80.5 secs Computing kpt #: 201 total cpu time spent up to now is 80.9 secs Computing kpt #: 202 total cpu time spent up to now is 81.3 secs Computing kpt #: 203 total cpu time spent up to now is 81.7 secs Computing kpt #: 204 total cpu time spent up to now is 82.0 secs Computing kpt #: 205 total cpu time spent up to now is 82.4 secs Computing kpt #: 206 total cpu time spent up to now is 82.8 secs Computing kpt #: 207 total cpu time spent up to now is 83.1 secs Computing kpt #: 208 total cpu time spent up to now is 83.5 secs Computing kpt #: 209 total cpu time spent up to now is 83.9 secs Computing kpt #: 210 total cpu time spent up to now is 84.2 secs Computing kpt #: 211 total cpu time spent up to now is 84.6 secs Computing kpt #: 212 total cpu time spent up to now is 84.9 secs Computing kpt #: 213 total cpu time spent up to now is 85.3 secs Computing kpt #: 214 total cpu time spent up to now is 85.6 secs Computing kpt #: 215 total cpu time spent up to now is 86.0 secs Computing kpt #: 216 total cpu time spent up to now is 86.4 secs Computing kpt #: 217 total cpu time spent up to now is 86.8 secs Computing kpt #: 218 total cpu time spent up to now is 87.2 secs Computing kpt #: 219 total cpu time spent up to now is 87.6 secs Computing kpt #: 220 total cpu time spent up to now is 88.0 secs Computing kpt #: 221 total cpu time spent up to now is 88.4 secs Computing kpt #: 222 total cpu time spent up to now is 88.8 secs Computing kpt #: 223 total cpu time spent up to now is 89.2 secs Computing kpt #: 224 total cpu time spent up to now is 89.6 secs Computing kpt #: 225 total cpu time spent up to now is 90.0 secs Computing kpt #: 226 total cpu time spent up to now is 90.4 secs Computing kpt #: 227 total cpu time spent up to now is 90.8 secs Computing kpt #: 228 total cpu time spent up to now is 91.2 secs Computing kpt #: 229 total cpu time spent up to now is 91.6 secs Computing kpt #: 230 total cpu time spent up to now is 92.0 secs Computing kpt #: 231 total cpu time spent up to now is 92.3 secs Computing kpt #: 232 total cpu time spent up to now is 92.7 secs Computing kpt #: 233 total cpu time spent up to now is 93.1 secs Computing kpt #: 234 total cpu time spent up to now is 93.5 secs Computing kpt #: 235 total cpu time spent up to now is 93.9 secs Computing kpt #: 236 total cpu time spent up to now is 94.3 secs Computing kpt #: 237 total cpu time spent up to now is 94.7 secs Computing kpt #: 238 total cpu time spent up to now is 95.1 secs Computing kpt #: 239 total cpu time spent up to now is 95.5 secs Computing kpt #: 240 total cpu time spent up to now is 95.9 secs Computing kpt #: 241 total cpu time spent up to now is 96.3 secs Computing kpt #: 242 total cpu time spent up to now is 96.6 secs Computing kpt #: 243 total cpu time spent up to now is 97.0 secs Computing kpt #: 244 total cpu time spent up to now is 97.4 secs Computing kpt #: 245 total cpu time spent up to now is 97.8 secs Computing kpt #: 246 total cpu time spent up to now is 98.2 secs Computing kpt #: 247 total cpu time spent up to now is 98.5 secs Computing kpt #: 248 total cpu time spent up to now is 98.9 secs Computing kpt #: 249 total cpu time spent up to now is 99.3 secs Computing kpt #: 250 total cpu time spent up to now is 99.7 secs Computing kpt #: 251 total cpu time spent up to now is 100.1 secs Computing kpt #: 252 total cpu time spent up to now is 100.5 secs Computing kpt #: 253 total cpu time spent up to now is 100.9 secs Computing kpt #: 254 total cpu time spent up to now is 101.3 secs Computing kpt #: 255 total cpu time spent up to now is 101.7 secs Computing kpt #: 256 total cpu time spent up to now is 102.1 secs Computing kpt #: 257 total cpu time spent up to now is 102.5 secs Computing kpt #: 258 total cpu time spent up to now is 102.9 secs Computing kpt #: 259 total cpu time spent up to now is 103.3 secs Computing kpt #: 260 total cpu time spent up to now is 103.7 secs Computing kpt #: 261 total cpu time spent up to now is 104.1 secs Computing kpt #: 262 total cpu time spent up to now is 104.5 secs Computing kpt #: 263 total cpu time spent up to now is 104.9 secs Computing kpt #: 264 total cpu time spent up to now is 105.3 secs Computing kpt #: 265 total cpu time spent up to now is 105.8 secs Computing kpt #: 266 total cpu time spent up to now is 106.2 secs Computing kpt #: 267 total cpu time spent up to now is 106.6 secs Computing kpt #: 268 total cpu time spent up to now is 107.0 secs Computing kpt #: 269 total cpu time spent up to now is 107.4 secs Computing kpt #: 270 total cpu time spent up to now is 107.8 secs Computing kpt #: 271 total cpu time spent up to now is 108.1 secs Computing kpt #: 272 total cpu time spent up to now is 108.5 secs Computing kpt #: 273 total cpu time spent up to now is 108.9 secs Computing kpt #: 274 total cpu time spent up to now is 109.3 secs Computing kpt #: 275 total cpu time spent up to now is 109.7 secs Computing kpt #: 276 total cpu time spent up to now is 110.1 secs Computing kpt #: 277 total cpu time spent up to now is 110.5 secs Computing kpt #: 278 total cpu time spent up to now is 110.9 secs Computing kpt #: 279 total cpu time spent up to now is 111.4 secs Computing kpt #: 280 total cpu time spent up to now is 111.8 secs Computing kpt #: 281 total cpu time spent up to now is 112.2 secs Computing kpt #: 282 total cpu time spent up to now is 112.6 secs Computing kpt #: 283 total cpu time spent up to now is 113.0 secs Computing kpt #: 284 total cpu time spent up to now is 113.4 secs Computing kpt #: 285 total cpu time spent up to now is 113.7 secs Computing kpt #: 286 total cpu time spent up to now is 114.1 secs Computing kpt #: 287 total cpu time spent up to now is 114.4 secs Computing kpt #: 288 total cpu time spent up to now is 114.8 secs Computing kpt #: 289 total cpu time spent up to now is 115.1 secs Computing kpt #: 290 total cpu time spent up to now is 115.5 secs Computing kpt #: 291 total cpu time spent up to now is 115.8 secs Computing kpt #: 292 total cpu time spent up to now is 116.1 secs Computing kpt #: 293 total cpu time spent up to now is 116.5 secs Computing kpt #: 294 total cpu time spent up to now is 116.8 secs Computing kpt #: 295 total cpu time spent up to now is 117.2 secs Computing kpt #: 296 total cpu time spent up to now is 117.5 secs Computing kpt #: 297 total cpu time spent up to now is 117.9 secs Computing kpt #: 298 total cpu time spent up to now is 118.2 secs Computing kpt #: 299 total cpu time spent up to now is 118.6 secs Computing kpt #: 300 total cpu time spent up to now is 118.9 secs Computing kpt #: 301 total cpu time spent up to now is 119.3 secs Computing kpt #: 302 total cpu time spent up to now is 119.7 secs Computing kpt #: 303 total cpu time spent up to now is 120.0 secs Computing kpt #: 304 total cpu time spent up to now is 120.4 secs Computing kpt #: 305 total cpu time spent up to now is 120.8 secs Computing kpt #: 306 total cpu time spent up to now is 121.1 secs Computing kpt #: 307 total cpu time spent up to now is 121.5 secs Computing kpt #: 308 total cpu time spent up to now is 121.9 secs Computing kpt #: 309 total cpu time spent up to now is 122.3 secs Computing kpt #: 310 total cpu time spent up to now is 122.7 secs Computing kpt #: 311 total cpu time spent up to now is 123.2 secs Computing kpt #: 312 total cpu time spent up to now is 123.6 secs Computing kpt #: 313 total cpu time spent up to now is 124.0 secs Computing kpt #: 314 total cpu time spent up to now is 124.4 secs Computing kpt #: 315 total cpu time spent up to now is 124.8 secs Computing kpt #: 316 total cpu time spent up to now is 125.2 secs Computing kpt #: 317 total cpu time spent up to now is 125.6 secs Computing kpt #: 318 total cpu time spent up to now is 126.0 secs Computing kpt #: 319 total cpu time spent up to now is 126.4 secs Computing kpt #: 320 total cpu time spent up to now is 126.8 secs Computing kpt #: 321 total cpu time spent up to now is 127.2 secs Computing kpt #: 322 total cpu time spent up to now is 127.5 secs Computing kpt #: 323 total cpu time spent up to now is 127.9 secs Computing kpt #: 324 total cpu time spent up to now is 128.3 secs Computing kpt #: 325 total cpu time spent up to now is 128.7 secs Computing kpt #: 326 total cpu time spent up to now is 129.1 secs Computing kpt #: 327 total cpu time spent up to now is 129.5 secs Computing kpt #: 328 total cpu time spent up to now is 129.9 secs Computing kpt #: 329 total cpu time spent up to now is 130.3 secs Computing kpt #: 330 total cpu time spent up to now is 130.7 secs Computing kpt #: 331 total cpu time spent up to now is 131.1 secs Computing kpt #: 332 total cpu time spent up to now is 131.5 secs Computing kpt #: 333 total cpu time spent up to now is 131.9 secs Computing kpt #: 334 total cpu time spent up to now is 132.3 secs Computing kpt #: 335 total cpu time spent up to now is 132.7 secs Computing kpt #: 336 total cpu time spent up to now is 133.1 secs Computing kpt #: 337 total cpu time spent up to now is 133.6 secs Computing kpt #: 338 total cpu time spent up to now is 134.0 secs Computing kpt #: 339 total cpu time spent up to now is 134.4 secs Computing kpt #: 340 total cpu time spent up to now is 134.8 secs Computing kpt #: 341 total cpu time spent up to now is 135.2 secs Computing kpt #: 342 total cpu time spent up to now is 135.7 secs Computing kpt #: 343 total cpu time spent up to now is 136.1 secs Computing kpt #: 344 total cpu time spent up to now is 136.5 secs Computing kpt #: 345 total cpu time spent up to now is 136.9 secs Computing kpt #: 346 total cpu time spent up to now is 137.3 secs Computing kpt #: 347 total cpu time spent up to now is 137.7 secs Computing kpt #: 348 total cpu time spent up to now is 138.1 secs Computing kpt #: 349 total cpu time spent up to now is 138.5 secs Computing kpt #: 350 total cpu time spent up to now is 138.9 secs Computing kpt #: 351 total cpu time spent up to now is 139.3 secs Computing kpt #: 352 total cpu time spent up to now is 139.7 secs Computing kpt #: 353 total cpu time spent up to now is 140.0 secs Computing kpt #: 354 total cpu time spent up to now is 140.4 secs Computing kpt #: 355 total cpu time spent up to now is 140.8 secs Computing kpt #: 356 total cpu time spent up to now is 141.2 secs Computing kpt #: 357 total cpu time spent up to now is 141.6 secs Computing kpt #: 358 total cpu time spent up to now is 142.0 secs Computing kpt #: 359 total cpu time spent up to now is 142.4 secs Computing kpt #: 360 total cpu time spent up to now is 142.8 secs Computing kpt #: 361 total cpu time spent up to now is 143.2 secs Computing kpt #: 362 total cpu time spent up to now is 143.6 secs Computing kpt #: 363 total cpu time spent up to now is 144.0 secs Computing kpt #: 364 total cpu time spent up to now is 144.4 secs Computing kpt #: 365 total cpu time spent up to now is 144.8 secs Computing kpt #: 366 total cpu time spent up to now is 145.2 secs Computing kpt #: 367 total cpu time spent up to now is 145.7 secs Computing kpt #: 368 total cpu time spent up to now is 146.1 secs Computing kpt #: 369 total cpu time spent up to now is 146.5 secs Computing kpt #: 370 total cpu time spent up to now is 146.9 secs Computing kpt #: 371 total cpu time spent up to now is 147.3 secs Computing kpt #: 372 total cpu time spent up to now is 147.7 secs Computing kpt #: 373 total cpu time spent up to now is 148.1 secs Computing kpt #: 374 total cpu time spent up to now is 148.5 secs Computing kpt #: 375 total cpu time spent up to now is 148.9 secs Computing kpt #: 376 total cpu time spent up to now is 149.3 secs Computing kpt #: 377 total cpu time spent up to now is 149.7 secs ethr = 2.27E-08, avg # of iterations = 18.3 total cpu time spent up to now is 149.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3151 PWs) bands (ev): -53.8385 -53.8385 -53.8383 -53.8383 -26.7367 -26.7367 -26.7336 -26.7336 -18.0800 -18.0800 -18.0551 -18.0551 -18.0428 -18.0428 -18.0394 -18.0394 -0.0628 -0.0628 2.0728 2.0728 2.8913 2.8913 8.8755 8.8755 9.1531 9.1531 10.3953 10.3953 10.5570 10.5570 10.6357 10.6357 11.4000 11.4000 11.7214 11.7214 12.0564 12.0564 13.1603 13.1603 13.7202 13.7202 13.9147 13.9147 14.4436 14.4436 15.3426 15.3426 15.3877 15.3877 15.6631 15.6631 k = 0.0000 0.0111-0.0000 ( 3153 PWs) bands (ev): -53.8385 -53.8385 -53.8383 -53.8383 -26.7368 -26.7368 -26.7336 -26.7336 -18.0800 -18.0800 -18.0551 -18.0551 -18.0429 -18.0429 -18.0395 -18.0395 -0.0612 -0.0612 2.0739 2.0739 2.8926 2.8926 8.8770 8.8770 9.1488 9.1488 10.3750 10.3750 10.5625 10.5625 10.6396 10.6396 11.3997 11.3997 11.7227 11.7227 12.0563 12.0563 13.1676 13.1676 13.7186 13.7186 13.9120 13.9120 14.4439 14.4439 15.3221 15.3221 15.3955 15.3955 15.6650 15.6650 k = 0.0000 0.0222-0.0000 ( 3150 PWs) bands (ev): -53.8385 -53.8385 -53.8383 -53.8383 -26.7368 -26.7368 -26.7336 -26.7336 -18.0800 -18.0800 -18.0552 -18.0552 -18.0432 -18.0432 -18.0398 -18.0398 -0.0565 -0.0565 2.0772 2.0772 2.8963 2.8963 8.8815 8.8815 9.1358 9.1358 10.3218 10.3218 10.5733 10.5733 10.6497 10.6497 11.3986 11.3986 11.7266 11.7266 12.0561 12.0561 13.1889 13.1889 13.7141 13.7141 13.9040 13.9040 14.4448 14.4448 15.2712 15.2712 15.4136 15.4136 15.6705 15.6705 k = 0.0000 0.0333-0.0000 ( 3158 PWs) bands (ev): -53.8385 -53.8385 -53.8383 -53.8383 -26.7370 -26.7370 -26.7338 -26.7338 -18.0801 -18.0801 -18.0554 -18.0554 -18.0437 -18.0437 -18.0403 -18.0403 -0.0488 -0.0488 2.0828 2.0828 2.9024 2.9024 8.8891 8.8891 9.1141 9.1141 10.2462 10.2462 10.5845 10.5845 10.6621 10.6621 11.3966 11.3966 11.7326 11.7326 12.0559 12.0559 13.2221 13.2221 13.7072 13.7072 13.8909 13.8909 14.4461 14.4461 15.2025 15.2025 15.4401 15.4401 15.6800 15.6800 k = 0.0000 0.0444-0.0000 ( 3160 PWs) bands (ev): -53.8385 -53.8385 -53.8382 -53.8382 -26.7371 -26.7371 -26.7340 -26.7340 -18.0802 -18.0802 -18.0556 -18.0556 -18.0443 -18.0443 -18.0409 -18.0409 -0.0379 -0.0379 2.0905 2.0905 2.9109 2.9109 8.8997 8.8997 9.0839 9.0839 10.1539 10.1539 10.5957 10.5957 10.6740 10.6740 11.3936 11.3936 11.7398 11.7398 12.0564 12.0564 13.2638 13.2638 13.6990 13.6990 13.8728 13.8728 14.4476 14.4476 15.1249 15.1249 15.4736 15.4736 15.6950 15.6950 k = 0.0000 0.0556-0.0000 ( 3160 PWs) bands (ev): -53.8384 -53.8384 -53.8382 -53.8382 -26.7373 -26.7373 -26.7342 -26.7342 -18.0802 -18.0802 -18.0559 -18.0559 -18.0451 -18.0451 -18.0417 -18.0417 -0.0240 -0.0240 2.1005 2.1005 2.9219 2.9219 8.9131 8.9131 9.0455 9.0455 10.0481 10.0481 10.6078 10.6078 10.6845 10.6845 11.3894 11.3894 11.7475 11.7475 12.0580 12.0580 13.3087 13.3087 13.6922 13.6922 13.8499 13.8499 14.4490 14.4490 15.0446 15.0446 15.5108 15.5108 15.7186 15.7186 k = 0.0000 0.0667-0.0000 ( 3156 PWs) bands (ev): -53.8384 -53.8384 -53.8381 -53.8381 -26.7374 -26.7374 -26.7345 -26.7345 -18.0804 -18.0804 -18.0564 -18.0564 -18.0459 -18.0459 -18.0425 -18.0425 -0.0070 -0.0070 2.1128 2.1128 2.9351 2.9351 8.9291 8.9291 8.9993 8.9993 9.9310 9.9310 10.6213 10.6213 10.6939 10.6939 11.3835 11.3835 11.7548 11.7548 12.0613 12.0613 13.3490 13.3490 13.6921 13.6921 13.8222 13.8222 14.4500 14.4500 14.9656 14.9656 15.5463 15.5463 15.7545 15.7545 k = 0.0000 0.0778-0.0000 ( 3158 PWs) bands (ev): -53.8383 -53.8383 -53.8381 -53.8381 -26.7377 -26.7377 -26.7348 -26.7348 -18.0806 -18.0806 -18.0571 -18.0571 -18.0469 -18.0469 -18.0433 -18.0433 0.0131 0.0131 2.1272 2.1272 2.9505 2.9505 8.9360 8.9360 8.9573 8.9573 9.8044 9.8044 10.6363 10.6363 10.7031 10.7031 11.3755 11.3755 11.7607 11.7607 12.0668 12.0668 13.3748 13.3748 13.7062 13.7062 13.7898 13.7898 14.4504 14.4504 14.8908 14.8908 15.5741 15.5741 15.7874 15.7874 k = 0.0000 0.0889-0.0000 ( 3162 PWs) bands (ev): -53.8383 -53.8383 -53.8380 -53.8380 -26.7380 -26.7380 -26.7351 -26.7351 -18.0810 -18.0810 -18.0580 -18.0580 -18.0481 -18.0481 -18.0441 -18.0441 0.0362 0.0362 2.1439 2.1439 2.9681 2.9681 8.8800 8.8800 8.9737 8.9737 9.6700 9.6700 10.6526 10.6526 10.7132 10.7132 11.3651 11.3651 11.7647 11.7647 12.0747 12.0747 13.3784 13.3784 13.7378 13.7378 13.7551 13.7551 14.4498 14.4498 14.8223 14.8223 15.5887 15.5887 15.7395 15.7395 k = 0.0000 0.1000-0.0000 ( 3162 PWs) bands (ev): -53.8382 -53.8382 -53.8380 -53.8380 -26.7383 -26.7383 -26.7355 -26.7355 -18.0814 -18.0814 -18.0592 -18.0592 -18.0492 -18.0492 -18.0448 -18.0448 0.0624 0.0624 2.1628 2.1628 2.9877 2.9877 8.8115 8.8115 8.9984 8.9984 9.5294 9.5294 10.6702 10.6702 10.7252 10.7252 11.3515 11.3515 11.7662 11.7662 12.0854 12.0854 13.3603 13.3603 13.7073 13.7073 13.7956 13.7956 14.4481 14.4481 14.7617 14.7617 15.5786 15.5786 15.6995 15.6995 k = 0.0000 0.1111-0.0000 ( 3170 PWs) bands (ev): -53.8382 -53.8382 -53.8379 -53.8379 -26.7387 -26.7387 -26.7359 -26.7359 -18.0821 -18.0821 -18.0608 -18.0608 -18.0504 -18.0504 -18.0453 -18.0453 0.0915 0.0915 2.1839 2.1839 3.0091 3.0091 8.7363 8.7363 9.0262 9.0262 9.3839 9.3839 10.6885 10.6885 10.7400 10.7400 11.3343 11.3343 11.7651 11.7651 12.0989 12.0989 13.3263 13.3263 13.6585 13.6585 13.8609 13.8609 14.4454 14.4454 14.7099 14.7099 15.5341 15.5341 15.6907 15.6907 k = 0.0000 0.1222-0.0000 ( 3170 PWs) bands (ev): -53.8381 -53.8381 -53.8378 -53.8378 -26.7391 -26.7391 -26.7363 -26.7363 -18.0829 -18.0829 -18.0627 -18.0627 -18.0516 -18.0516 -18.0457 -18.0457 0.1237 0.1237 2.2073 2.2073 3.0324 3.0324 8.6553 8.6553 9.0560 9.0560 9.2353 9.2353 10.7071 10.7071 10.7584 10.7584 11.3129 11.3129 11.7613 11.7613 12.1149 12.1149 13.2819 13.2819 13.6037 13.6037 13.9327 13.9327 14.4419 14.4419 14.6675 14.6675 15.4730 15.4730 15.6996 15.6996 k = 0.0000 0.1333-0.0000 ( 3172 PWs) bands (ev): -53.8380 -53.8380 -53.8378 -53.8378 -26.7396 -26.7396 -26.7367 -26.7367 -18.0839 -18.0839 -18.0649 -18.0649 -18.0526 -18.0526 -18.0459 -18.0459 0.1588 0.1588 2.2329 2.2329 3.0572 3.0572 8.5690 8.5690 9.0666 9.0666 9.1061 9.1061 10.7259 10.7259 10.7808 10.7808 11.2866 11.2866 11.7550 11.7550 12.1332 12.1332 13.2309 13.2309 13.5434 13.5434 14.0064 14.0064 14.4387 14.4387 14.6343 14.6343 15.4092 15.4092 15.7151 15.7151 k = 0.0000 0.1444-0.0000 ( 3174 PWs) bands (ev): -53.8379 -53.8379 -53.8377 -53.8377 -26.7400 -26.7400 -26.7372 -26.7372 -18.0852 -18.0852 -18.0675 -18.0675 -18.0535 -18.0535 -18.0459 -18.0459 0.1968 0.1968 2.2607 2.2607 3.0834 3.0834 8.4780 8.4780 8.9252 8.9252 9.1297 9.1297 10.7451 10.7451 10.8067 10.8067 11.2549 11.2549 11.7466 11.7466 12.1533 12.1533 13.1759 13.1759 13.4782 13.4782 14.0784 14.0784 14.4374 14.4374 14.6093 14.6093 15.3476 15.3476 15.7339 15.7339 k = 0.0000 0.1556-0.0000 ( 3184 PWs) bands (ev): -53.8378 -53.8378 -53.8376 -53.8376 -26.7406 -26.7406 -26.7378 -26.7378 -18.0868 -18.0868 -18.0703 -18.0703 -18.0543 -18.0543 -18.0459 -18.0459 0.2377 0.2377 2.2907 2.2907 3.1108 3.1108 8.3825 8.3825 8.7716 8.7716 9.1675 9.1675 10.7650 10.7650 10.8357 10.8357 11.2175 11.2175 11.7363 11.7363 12.1748 12.1748 13.1186 13.1186 13.4090 13.4090 14.1449 14.1449 14.4411 14.4411 14.5918 14.5918 15.2906 15.2906 15.7553 15.7553 k = 0.0000 0.1667-0.0000 ( 3176 PWs) bands (ev): -53.8377 -53.8377 -53.8375 -53.8375 -26.7410 -26.7410 -26.7382 -26.7382 -18.0887 -18.0887 -18.0732 -18.0732 -18.0549 -18.0549 -18.0457 -18.0457 0.2814 0.2814 2.3230 2.3230 3.1392 3.1392 8.2827 8.2827 8.6184 8.6184 9.2082 9.2082 10.7855 10.7855 10.8670 10.8670 11.1746 11.1746 11.7245 11.7245 12.1973 12.1973 13.0604 13.0604 13.3368 13.3368 14.2008 14.2008 14.4539 14.4539 14.5811 14.5811 15.2396 15.2396 15.7791 15.7791 k = 0.0000 0.1778-0.0000 ( 3176 PWs) bands (ev): -53.8376 -53.8376 -53.8374 -53.8374 -26.7415 -26.7415 -26.7388 -26.7388 -18.0908 -18.0908 -18.0764 -18.0764 -18.0553 -18.0553 -18.0455 -18.0455 0.3280 0.3280 2.3575 2.3575 3.1683 3.1683 8.1779 8.1779 8.4677 8.4677 9.2513 9.2513 10.8062 10.8062 10.8994 10.8994 11.1273 11.1273 11.7115 11.7115 12.2204 12.2204 13.0021 13.0021 13.2625 13.2625 14.2406 14.2406 14.4784 14.4784 14.5790 14.5790 15.1955 15.1955 15.8052 15.8052 k = 0.0000 0.1889-0.0000 ( 3172 PWs) bands (ev): -53.8374 -53.8374 -53.8373 -53.8373 -26.7421 -26.7421 -26.7393 -26.7393 -18.0931 -18.0931 -18.0797 -18.0797 -18.0555 -18.0555 -18.0452 -18.0452 0.3774 0.3774 2.3943 2.3943 3.1977 3.1977 8.0671 8.0671 8.3221 8.3221 9.2964 9.2964 10.8255 10.8255 10.9299 10.9299 11.0800 11.0800 11.6976 11.6976 12.2437 12.2437 12.9444 12.9444 13.1871 13.1871 14.2630 14.2630 14.5067 14.5067 14.5935 14.5935 15.1591 15.1591 15.8337 15.8337 k = 0.0000 0.2000-0.0000 ( 3168 PWs) bands (ev): -53.8373 -53.8373 -53.8372 -53.8372 -26.7426 -26.7426 -26.7399 -26.7399 -18.0957 -18.0957 -18.0832 -18.0832 -18.0555 -18.0555 -18.0448 -18.0448 0.4295 0.4295 2.4333 2.4333 3.2273 3.2273 7.9483 7.9483 8.1845 8.1845 9.3433 9.3433 10.8382 10.8382 10.9474 10.9474 11.0489 11.0489 11.6830 11.6830 12.2668 12.2668 12.8875 12.8875 13.1116 13.1116 14.2723 14.2723 14.5230 14.5230 14.6354 14.6354 15.1311 15.1311 15.8647 15.8647 k = 0.0000 0.2111-0.0000 ( 3176 PWs) bands (ev): -53.8372 -53.8372 -53.8370 -53.8370 -26.7431 -26.7431 -26.7406 -26.7406 -18.0985 -18.0985 -18.0869 -18.0869 -18.0554 -18.0554 -18.0446 -18.0446 0.4842 0.4842 2.4745 2.4745 3.2565 3.2565 7.8200 7.8200 8.0576 8.0576 9.3916 9.3916 10.8276 10.8276 10.9441 10.9441 11.0587 11.0587 11.6682 11.6682 12.2891 12.2891 12.8315 12.8315 13.0368 13.0368 14.2732 14.2732 14.5294 14.5294 14.6969 14.6969 15.1121 15.1121 15.8982 15.8982 k = 0.0000 0.2222-0.0000 ( 3184 PWs) bands (ev): -53.8371 -53.8371 -53.8369 -53.8369 -26.7437 -26.7437 -26.7413 -26.7413 -18.1015 -18.1015 -18.0906 -18.0906 -18.0552 -18.0552 -18.0443 -18.0443 0.5416 0.5416 2.5179 2.5179 3.2850 3.2850 7.6825 7.6825 7.9422 7.9422 9.4407 9.4407 10.7785 10.7785 10.9515 10.9515 11.0936 11.0936 11.6532 11.6532 12.3101 12.3101 12.7761 12.7761 12.9636 12.9636 14.2687 14.2687 14.5334 14.5334 14.7665 14.7665 15.1029 15.1029 15.9342 15.9342 k = 0.0000 0.2333-0.0000 ( 3192 PWs) bands (ev): -53.8370 -53.8370 -53.8369 -53.8369 -26.7444 -26.7444 -26.7420 -26.7420 -18.1046 -18.1046 -18.0943 -18.0943 -18.0549 -18.0549 -18.0439 -18.0439 0.6016 0.6016 2.5635 2.5635 3.3124 3.3124 7.5382 7.5382 7.8369 7.8369 9.4900 9.4900 10.7058 10.7058 10.9721 10.9721 11.1367 11.1367 11.6385 11.6385 12.3294 12.3294 12.7212 12.7212 12.8928 12.8928 14.2602 14.2602 14.5379 14.5379 14.8387 14.8387 15.1047 15.1047 15.9727 15.9727 k = 0.0000 0.2444-0.0000 ( 3192 PWs) bands (ev): -53.8369 -53.8369 -53.8367 -53.8367 -26.7449 -26.7449 -26.7426 -26.7426 -18.1077 -18.1077 -18.0981 -18.0981 -18.0544 -18.0544 -18.0436 -18.0436 0.6642 0.6642 2.6114 2.6114 3.3381 3.3381 7.3896 7.3896 7.7402 7.7402 9.5383 9.5383 10.6232 10.6232 10.9982 10.9982 11.1837 11.1837 11.6245 11.6245 12.3460 12.3460 12.6664 12.6664 12.8254 12.8254 14.2482 14.2482 14.5440 14.5440 14.9098 14.9098 15.1192 15.1192 16.0138 16.0138 k = 0.0000 0.2556-0.0000 ( 3192 PWs) bands (ev): -53.8368 -53.8368 -53.8366 -53.8366 -26.7455 -26.7455 -26.7433 -26.7433 -18.1110 -18.1110 -18.1019 -18.1019 -18.0539 -18.0539 -18.0432 -18.0432 0.7292 0.7292 2.6615 2.6615 3.3618 3.3618 7.2388 7.2388 7.6508 7.6508 9.5840 9.5840 10.5371 10.5371 11.0266 11.0266 11.2329 11.2329 11.6115 11.6115 12.3588 12.3588 12.6120 12.6120 12.7617 12.7617 14.2326 14.2326 14.5522 14.5522 14.9761 14.9761 15.1491 15.1491 16.0574 16.0574 k = 0.0000 0.2667-0.0000 ( 3200 PWs) bands (ev): -53.8367 -53.8367 -53.8365 -53.8365 -26.7461 -26.7461 -26.7440 -26.7440 -18.1143 -18.1143 -18.1058 -18.1058 -18.0533 -18.0533 -18.0429 -18.0429 0.7966 0.7966 2.7137 2.7137 3.3828 3.3828 7.0874 7.0874 7.5684 7.5684 9.6242 9.6242 10.4523 10.4523 11.0563 11.0563 11.2834 11.2834 11.6004 11.6004 12.3658 12.3658 12.5593 12.5593 12.7023 12.7023 14.2133 14.2133 14.5629 14.5629 15.0348 15.0348 15.1968 15.1968 16.1036 16.1036 k = 0.0000 0.2778-0.0000 ( 3196 PWs) bands (ev): -53.8365 -53.8365 -53.8364 -53.8364 -26.7466 -26.7466 -26.7446 -26.7446 -18.1175 -18.1175 -18.1095 -18.1095 -18.0527 -18.0527 -18.0424 -18.0424 0.8663 0.8663 2.7682 2.7682 3.4007 3.4007 6.9363 6.9363 7.4927 7.4927 9.6541 9.6541 10.3748 10.3748 11.0865 11.0865 11.3338 11.3338 11.5923 11.5923 12.3632 12.3632 12.5118 12.5118 12.6469 12.6469 14.1901 14.1901 14.5763 14.5763 15.0866 15.0866 15.2607 15.2607 16.1522 16.1522 k = 0.0000 0.2889-0.0000 ( 3192 PWs) bands (ev): -53.8364 -53.8364 -53.8363 -53.8363 -26.7472 -26.7472 -26.7451 -26.7451 -18.1208 -18.1208 -18.1131 -18.1131 -18.0520 -18.0520 -18.0420 -18.0420 0.9383 0.9383 2.8248 2.8248 3.4148 3.4148 6.7860 6.7860 7.4242 7.4242 9.6665 9.6665 10.3127 10.3127 11.1171 11.1171 11.3817 11.3817 11.5897 11.5897 12.3447 12.3447 12.4755 12.4755 12.5955 12.5955 14.1628 14.1628 14.5926 14.5926 15.1357 15.1357 15.3360 15.3360 16.2033 16.2033 k = 0.0000 0.3000-0.0000 ( 3200 PWs) bands (ev): -53.8363 -53.8363 -53.8362 -53.8362 -26.7478 -26.7478 -26.7458 -26.7458 -18.1242 -18.1242 -18.1168 -18.1168 -18.0514 -18.0514 -18.0417 -18.0417 1.0125 1.0125 2.8834 2.8834 3.4246 3.4246 6.6370 6.6370 7.3632 7.3632 9.6531 9.6531 10.2751 10.2751 11.1476 11.1476 11.4225 11.4225 11.5972 11.5972 12.3080 12.3080 12.4526 12.4526 12.5479 12.5479 14.1310 14.1310 14.6122 14.6122 15.1859 15.1859 15.4182 15.4182 16.2566 16.2566 k = 0.0000 0.3111-0.0000 ( 3190 PWs) bands (ev): -53.8361 -53.8361 -53.8361 -53.8361 -26.7483 -26.7483 -26.7463 -26.7463 -18.1272 -18.1272 -18.1204 -18.1204 -18.0506 -18.0506 -18.0413 -18.0413 1.0888 1.0888 2.9441 2.9441 3.4296 3.4296 6.4898 6.4898 7.3102 7.3102 9.6093 9.6093 10.2672 10.2672 11.1780 11.1780 11.4501 11.4501 11.6210 11.6210 12.2595 12.2595 12.4355 12.4355 12.5048 12.5048 14.0946 14.0946 14.6352 14.6352 15.2386 15.2386 15.5048 15.5048 16.3121 16.3121 k = 0.0000 0.3222-0.0000 ( 3192 PWs) bands (ev): -53.8360 -53.8360 -53.8360 -53.8360 -26.7489 -26.7489 -26.7469 -26.7469 -18.1304 -18.1304 -18.1238 -18.1238 -18.0499 -18.0499 -18.0409 -18.0409 1.1671 1.1671 3.0066 3.0066 3.4296 3.4296 6.3444 6.3444 7.2657 7.2657 9.5383 9.5383 10.2864 10.2864 11.2079 11.2079 11.4632 11.4632 11.6623 11.6623 12.2062 12.2062 12.4147 12.4147 12.4686 12.4686 14.0535 14.0535 14.6620 14.6620 15.2942 15.2942 15.5943 15.5943 16.3697 16.3697 k = 0.0000 0.3333-0.0000 ( 3192 PWs) bands (ev): -53.8359 -53.8359 -53.8359 -53.8359 -26.7493 -26.7493 -26.7475 -26.7475 -18.1334 -18.1334 -18.1273 -18.1273 -18.0491 -18.0491 -18.0406 -18.0406 1.2473 1.2473 3.0706 3.0706 3.4243 3.4243 6.2011 6.2011 7.2301 7.2301 9.4475 9.4475 10.3254 10.3254 11.2372 11.2372 11.4668 11.4668 11.7160 11.7160 12.1519 12.1519 12.3849 12.3849 12.4412 12.4412 14.0076 14.0076 14.6927 14.6927 15.3520 15.3520 15.6859 15.6859 16.4292 16.4292 k = 0.0000 0.3444-0.0000 ( 3192 PWs) bands (ev): -53.8358 -53.8358 -53.8358 -53.8358 -26.7498 -26.7498 -26.7481 -26.7481 -18.1362 -18.1362 -18.1306 -18.1306 -18.0484 -18.0484 -18.0403 -18.0403 1.3293 1.3293 3.1353 3.1353 3.4142 3.4142 6.0601 6.0601 7.2038 7.2038 9.3442 9.3442 10.3776 10.3776 11.2657 11.2657 11.4661 11.4661 11.7768 11.7768 12.0984 12.0984 12.3487 12.3487 12.4180 12.4180 13.9570 13.9570 14.7273 14.7273 15.4111 15.4111 15.7793 15.7793 16.4902 16.4902 k = 0.0000 0.3556-0.0000 ( 3188 PWs) bands (ev): -53.8357 -53.8357 -53.8357 -53.8357 -26.7502 -26.7502 -26.7486 -26.7486 -18.1389 -18.1389 -18.1337 -18.1337 -18.0476 -18.0476 -18.0400 -18.0400 1.4129 1.4129 3.1985 3.1985 3.4013 3.4013 5.9215 5.9215 7.1872 7.1872 9.2333 9.2333 10.4385 10.4385 11.2934 11.2934 11.4639 11.4639 11.8408 11.8408 12.0473 12.0473 12.3108 12.3108 12.3939 12.3939 13.9018 13.9018 14.7660 14.7660 15.4703 15.4703 15.8738 15.8738 16.5524 16.5524 k = 0.0000 0.3667-0.0000 ( 3184 PWs) bands (ev): -53.8356 -53.8356 -53.8356 -53.8356 -26.7506 -26.7506 -26.7490 -26.7490 -18.1415 -18.1415 -18.1367 -18.1367 -18.0469 -18.0469 -18.0397 -18.0397 1.4981 1.4981 3.2518 3.2518 3.3937 3.3937 5.7854 5.7854 7.1803 7.1803 9.1179 9.1179 10.5050 10.5050 11.3199 11.3199 11.4617 11.4617 11.9019 11.9019 12.0041 12.0041 12.2731 12.2731 12.3667 12.3667 13.8421 13.8421 14.8088 14.8088 15.5279 15.5279 15.9690 15.9690 16.6151 16.6151 k = 0.0000 0.3778-0.0000 ( 3186 PWs) bands (ev): -53.8355 -53.8355 -53.8355 -53.8355 -26.7510 -26.7510 -26.7496 -26.7496 -18.1439 -18.1439 -18.1396 -18.1396 -18.0462 -18.0462 -18.0395 -18.0395 1.5848 1.5848 3.2723 3.2723 3.4144 3.4144 5.6519 5.6519 7.1833 7.1833 8.9999 8.9999 10.5754 10.5754 11.3450 11.3450 11.4603 11.4603 11.9198 11.9198 12.0078 12.0078 12.2368 12.2368 12.3360 12.3360 13.7783 13.7783 14.8554 14.8554 15.5821 15.5821 16.0644 16.0644 16.6757 16.6757 k = 0.0000 0.3889-0.0000 ( 3184 PWs) bands (ev): -53.8354 -53.8354 -53.8354 -53.8354 -26.7513 -26.7513 -26.7501 -26.7501 -18.1461 -18.1461 -18.1422 -18.1422 -18.0455 -18.0455 -18.0394 -18.0394 1.6726 1.6726 3.2528 3.2528 3.4705 3.4705 5.5209 5.5209 7.1960 7.1960 8.8809 8.8809 10.6484 10.6484 11.3686 11.3686 11.4600 11.4600 11.8839 11.8839 12.0672 12.0672 12.2039 12.2039 12.3018 12.3018 13.7106 13.7106 14.9059 14.9059 15.6310 15.6310 16.1595 16.1595 16.7032 16.7032 k = 0.0000 0.4000-0.0000 ( 3184 PWs) bands (ev): -53.8354 -53.8354 -53.8353 -53.8353 -26.7516 -26.7516 -26.7505 -26.7505 -18.1482 -18.1482 -18.1446 -18.1446 -18.0448 -18.0448 -18.0393 -18.0393 1.7616 1.7616 3.2136 3.2136 3.5423 3.5423 5.3926 5.3926 7.2184 7.2184 8.7618 8.7618 10.7231 10.7231 11.3903 11.3903 11.4611 11.4611 11.8414 11.8414 12.1215 12.1215 12.1866 12.1866 12.2659 12.2659 13.6394 13.6394 14.9598 14.9598 15.6723 15.6723 16.2534 16.2534 16.6977 16.6977 k = 0.0000 0.4111-0.0000 ( 3188 PWs) bands (ev): -53.8353 -53.8353 -53.8353 -53.8353 -26.7519 -26.7519 -26.7509 -26.7509 -18.1500 -18.1500 -18.1469 -18.1469 -18.0442 -18.0442 -18.0393 -18.0393 1.8515 1.8515 3.1638 3.1638 3.6206 3.6206 5.2671 5.2671 7.2500 7.2500 8.6434 8.6434 10.7988 10.7988 11.4097 11.4097 11.4637 11.4637 11.7997 11.7997 12.1174 12.1174 12.2071 12.2071 12.2529 12.2529 13.5650 13.5650 15.0170 15.0170 15.7038 15.7038 16.3451 16.3451 16.6959 16.6959 k = 0.0000 0.4222-0.0000 ( 3184 PWs) bands (ev): -53.8352 -53.8352 -53.8352 -53.8352 -26.7521 -26.7521 -26.7513 -26.7513 -18.1516 -18.1516 -18.1489 -18.1489 -18.0435 -18.0435 -18.0392 -18.0392 1.9420 1.9420 3.1066 3.1066 3.7031 3.7031 5.1442 5.1442 7.2905 7.2905 8.5263 8.5263 10.8748 10.8748 11.4265 11.4265 11.4677 11.4677 11.7599 11.7599 12.0906 12.0906 12.1746 12.1746 12.3179 12.3179 13.4879 13.4879 15.0770 15.0770 15.7238 15.7238 16.4329 16.4329 16.7012 16.7012 k = 0.0000 0.4333-0.0000 ( 3186 PWs) bands (ev): -53.8352 -53.8352 -53.8351 -53.8351 -26.7523 -26.7523 -26.7516 -26.7516 -18.1530 -18.1530 -18.1507 -18.1507 -18.0430 -18.0430 -18.0392 -18.0392 2.0331 2.0331 3.0431 3.0431 3.7887 3.7887 5.0240 5.0240 7.3396 7.3396 8.4110 8.4110 10.9503 10.9503 11.4400 11.4400 11.4726 11.4726 11.7225 11.7225 12.0628 12.0628 12.1332 12.1332 12.3963 12.3963 13.4084 13.4084 15.1393 15.1393 15.7307 15.7307 16.5145 16.5145 16.7148 16.7148 k = 0.0000 0.4444-0.0000 ( 3186 PWs) bands (ev): -53.8351 -53.8351 -53.8351 -53.8351 -26.7525 -26.7525 -26.7519 -26.7519 -18.1542 -18.1542 -18.1522 -18.1522 -18.0424 -18.0424 -18.0393 -18.0393 2.1243 2.1243 2.9743 2.9743 3.8772 3.8772 4.9066 4.9066 7.3966 7.3966 8.2981 8.2981 11.0247 11.0247 11.4485 11.4485 11.4791 11.4791 11.6876 11.6876 12.0367 12.0367 12.0923 12.0923 12.4779 12.4779 13.3269 13.3269 15.2034 15.2034 15.7240 15.7240 16.5864 16.5864 16.7378 16.7378 k = 0.0000 0.4556-0.0000 ( 3184 PWs) bands (ev): -53.8351 -53.8351 -53.8350 -53.8350 -26.7526 -26.7526 -26.7522 -26.7522 -18.1551 -18.1551 -18.1536 -18.1536 -18.0419 -18.0419 -18.0394 -18.0394 2.2155 2.2155 2.9010 2.9010 3.9684 3.9684 4.7918 4.7918 7.4612 7.4612 8.1880 8.1880 11.0970 11.0970 11.4489 11.4489 11.4885 11.4885 11.6555 11.6555 12.0135 12.0135 12.0544 12.0544 12.5611 12.5611 13.2438 13.2438 15.2687 15.2687 15.7042 15.7042 16.6452 16.6452 16.7688 16.7688 k = 0.0000 0.4667-0.0000 ( 3192 PWs) bands (ev): -53.8351 -53.8351 -53.8350 -53.8350 -26.7527 -26.7527 -26.7524 -26.7524 -18.1558 -18.1558 -18.1547 -18.1547 -18.0414 -18.0414 -18.0396 -18.0396 2.3064 2.3064 2.8236 2.8236 4.0623 4.0623 4.6797 4.6797 7.5328 7.5328 8.0811 8.0811 11.1663 11.1663 11.4389 11.4389 11.5012 11.5012 11.6262 11.6262 11.9940 11.9940 12.0220 12.0220 12.6455 12.6455 13.1595 13.1595 15.3344 15.3344 15.6724 15.6724 16.6916 16.6916 16.7996 16.7996 k = 0.0000 0.4778-0.0000 ( 3188 PWs) bands (ev): -53.8350 -53.8350 -53.8350 -53.8350 -26.7528 -26.7528 -26.7525 -26.7525 -18.1562 -18.1562 -18.1555 -18.1555 -18.0410 -18.0410 -18.0398 -18.0398 2.3966 2.3966 2.7429 2.7429 4.1587 4.1587 4.5703 4.5703 7.6108 7.6108 7.9779 7.9779 11.2314 11.2314 11.4178 11.4178 11.5167 11.5167 11.5998 11.5998 11.9796 11.9796 11.9968 11.9968 12.7307 12.7307 13.0744 13.0744 15.3996 15.3996 15.6304 15.6304 16.7299 16.7299 16.8159 16.8159 k = 0.0000 0.4889-0.0000 ( 3184 PWs) bands (ev): -53.8350 -53.8350 -53.8350 -53.8350 -26.7527 -26.7527 -26.7527 -26.7527 -18.1564 -18.1564 -18.1560 -18.1560 -18.0406 -18.0406 -18.0400 -18.0400 2.4858 2.4858 2.6594 2.6594 4.2577 4.2577 4.4635 4.4635 7.6948 7.6948 7.8789 7.8789 11.2907 11.2907 11.3854 11.3854 11.5344 11.5344 11.5759 11.5759 11.9717 11.9717 11.9799 11.9799 12.8165 12.8165 12.9886 12.9886 15.4632 15.4632 15.5803 15.5803 16.7634 16.7634 16.8115 16.8115 k = 0.0000 0.5000-0.0000 ( 3178 PWs) bands (ev): -53.8350 -53.8350 -53.8350 -53.8350 -26.7527 -26.7527 -26.7527 -26.7527 -18.1563 -18.1563 -18.1563 -18.1563 -18.0403 -18.0403 -18.0403 -18.0403 2.5735 2.5735 2.5735 2.5735 4.3593 4.3593 4.3593 4.3593 7.7844 7.7844 7.7844 7.7844 11.3426 11.3426 11.3426 11.3426 11.5542 11.5542 11.5542 11.5542 11.9716 11.9716 11.9716 11.9716 12.9025 12.9025 12.9025 12.9025 15.5239 15.5239 15.5239 15.5239 16.7917 16.7917 16.7917 16.7917 k = 0.0000 0.5000-0.0000 ( 3178 PWs) bands (ev): -53.8350 -53.8350 -53.8350 -53.8350 -26.7527 -26.7527 -26.7527 -26.7527 -18.1563 -18.1563 -18.1563 -18.1563 -18.0403 -18.0403 -18.0403 -18.0403 2.5735 2.5735 2.5735 2.5735 4.3593 4.3593 4.3593 4.3593 7.7844 7.7844 7.7844 7.7844 11.3426 11.3426 11.3426 11.3426 11.5542 11.5542 11.5542 11.5542 11.9716 11.9716 11.9716 11.9716 12.9025 12.9025 12.9025 12.9025 15.5239 15.5239 15.5239 15.5239 16.7917 16.7917 16.7917 16.7917 k = 0.0111 0.5000-0.0000 ( 3182 PWs) bands (ev): -53.8350 -53.8350 -53.8350 -53.8350 -26.7527 -26.7527 -26.7527 -26.7527 -18.1563 -18.1563 -18.1563 -18.1563 -18.0404 -18.0404 -18.0403 -18.0403 2.5740 2.5740 2.5744 2.5744 4.3590 4.3590 4.3622 4.3622 7.7838 7.7838 7.7868 7.7868 11.3419 11.3419 11.3427 11.3427 11.5469 11.5469 11.5531 11.5531 11.9664 11.9664 11.9762 11.9762 12.8889 12.8889 12.8978 12.8978 15.5236 15.5236 15.5379 15.5379 16.7632 16.7632 16.8206 16.8206 k = 0.0222 0.5000-0.0000 ( 3186 PWs) bands (ev): -53.8350 -53.8350 -53.8350 -53.8350 -26.7528 -26.7528 -26.7528 -26.7528 -18.1563 -18.1563 -18.1563 -18.1563 -18.0408 -18.0408 -18.0406 -18.0406 2.5759 2.5759 2.5766 2.5766 4.3614 4.3614 4.3677 4.3677 7.7852 7.7852 7.7911 7.7911 11.3405 11.3405 11.3422 11.3422 11.5320 11.5320 11.5437 11.5437 11.9609 11.9609 11.9796 11.9796 12.8577 12.8577 12.8750 12.8750 15.5365 15.5365 15.5646 15.5646 16.7359 16.7359 16.8475 16.8475 k = 0.0333 0.5000-0.0000 ( 3186 PWs) bands (ev): -53.8350 -53.8350 -53.8350 -53.8350 -26.7529 -26.7529 -26.7529 -26.7529 -18.1564 -18.1564 -18.1562 -18.1562 -18.0413 -18.0413 -18.0410 -18.0410 2.5791 2.5791 2.5802 2.5802 4.3664 4.3664 4.3759 4.3759 7.7885 7.7885 7.7973 7.7973 11.3383 11.3383 11.3411 11.3411 11.5102 11.5102 11.5263 11.5263 11.9548 11.9548 11.9807 11.9807 12.8104 12.8104 12.8357 12.8357 15.5613 15.5613 15.6027 15.6027 16.7106 16.7106 16.8667 16.8667 k = 0.0444 0.5000-0.0000 ( 3194 PWs) bands (ev): -53.8350 -53.8350 -53.8350 -53.8350 -26.7531 -26.7531 -26.7530 -26.7530 -18.1564 -18.1564 -18.1562 -18.1562 -18.0421 -18.0421 -18.0417 -18.0417 2.5837 2.5837 2.5852 2.5852 4.3741 4.3741 4.3867 4.3867 7.7935 7.7935 7.8052 7.8052 11.3350 11.3350 11.3393 11.3393 11.4827 11.4827 11.5016 11.5016 11.9472 11.9472 11.9781 11.9781 12.7495 12.7495 12.7820 12.7820 15.5960 15.5960 15.6498 15.6498 16.6875 16.6875 16.8677 16.8677 k = 0.0556 0.5000-0.0000 ( 3206 PWs) bands (ev): -53.8349 -53.8349 -53.8349 -53.8349 -26.7534 -26.7534 -26.7533 -26.7533 -18.1564 -18.1564 -18.1562 -18.1562 -18.0431 -18.0431 -18.0426 -18.0426 2.5897 2.5897 2.5915 2.5915 4.3844 4.3844 4.4001 4.4001 7.8004 7.8004 7.8150 7.8150 11.3299 11.3299 11.3363 11.3363 11.4507 11.4507 11.4713 11.4713 11.9366 11.9366 11.9701 11.9701 12.6779 12.6779 12.7169 12.7169 15.6380 15.6380 15.7033 15.7033 16.6670 16.6670 16.8466 16.8466 k = 0.0667 0.5000-0.0000 ( 3206 PWs) bands (ev): -53.8349 -53.8349 -53.8349 -53.8349 -26.7536 -26.7536 -26.7535 -26.7535 -18.1564 -18.1564 -18.1562 -18.1562 -18.0441 -18.0441 -18.0436 -18.0436 2.5969 2.5969 2.5991 2.5991 4.3973 4.3973 4.4161 4.4161 7.8090 7.8090 7.8263 7.8263 11.3218 11.3218 11.3310 11.3310 11.4160 11.4160 11.4373 11.4373 11.9215 11.9215 11.9551 11.9551 12.5990 12.5990 12.6438 12.6438 15.6846 15.6846 15.7606 15.7606 16.6494 16.6494 16.8135 16.8135 k = 0.0778 0.5000-0.0000 ( 3206 PWs) bands (ev): -53.8348 -53.8348 -53.8348 -53.8348 -26.7539 -26.7539 -26.7537 -26.7537 -18.1564 -18.1564 -18.1562 -18.1562 -18.0454 -18.0454 -18.0447 -18.0447 2.6055 2.6055 2.6080 2.6080 4.4129 4.4129 4.4347 4.4347 7.8192 7.8192 7.8392 7.8392 11.3075 11.3075 11.3199 11.3199 11.3830 11.3830 11.4035 11.4035 11.8997 11.8997 11.9309 11.9309 12.5164 12.5164 12.5667 12.5667 15.7329 15.7329 15.8190 15.8190 16.6351 16.6351 16.7769 16.7769 k = 0.0889 0.5000-0.0000 ( 3202 PWs) bands (ev): -53.8348 -53.8348 -53.8348 -53.8348 -26.7541 -26.7541 -26.7540 -26.7540 -18.1564 -18.1564 -18.1561 -18.1561 -18.0467 -18.0467 -18.0460 -18.0460 2.6153 2.6153 2.6181 2.6181 4.4311 4.4311 4.4559 4.4559 7.8310 7.8310 7.8535 7.8535 11.2818 11.2818 11.2949 11.2949 11.3600 11.3600 11.3755 11.3755 11.8689 11.8689 11.8950 11.8950 12.4344 12.4344 12.4896 12.4896 15.7807 15.7807 15.8764 15.8764 16.6245 16.6245 16.7407 16.7407 k = 0.1000 0.5000-0.0000 ( 3202 PWs) bands (ev): -53.8347 -53.8347 -53.8347 -53.8347 -26.7544 -26.7544 -26.7543 -26.7543 -18.1565 -18.1565 -18.1561 -18.1561 -18.0482 -18.0482 -18.0475 -18.0475 2.6264 2.6264 2.6295 2.6295 4.4520 4.4520 4.4797 4.4797 7.8441 7.8441 7.8691 7.8691 11.2421 11.2421 11.2550 11.2550 11.3488 11.3488 11.3563 11.3563 11.8264 11.8264 11.8453 11.8453 12.3570 12.3570 12.4165 12.4165 15.8259 15.8259 15.9304 15.9304 16.6178 16.6178 16.7071 16.7071 k = 0.1111 0.5000-0.0000 ( 3210 PWs) bands (ev): -53.8347 -53.8347 -53.8347 -53.8347 -26.7548 -26.7548 -26.7546 -26.7546 -18.1565 -18.1565 -18.1562 -18.1562 -18.0499 -18.0499 -18.0491 -18.0491 2.6386 2.6386 2.6420 2.6420 4.4754 4.4754 4.5061 4.5061 7.8584 7.8584 7.8858 7.8858 11.1917 11.1917 11.2070 11.2070 11.3423 11.3423 11.3425 11.3425 11.7709 11.7709 11.7802 11.7802 12.2878 12.2878 12.3503 12.3503 15.8669 15.8669 15.9795 15.9795 16.6154 16.6154 16.6776 16.6776 k = 0.1222 0.5000-0.0000 ( 3206 PWs) bands (ev): -53.8346 -53.8346 -53.8346 -53.8346 -26.7552 -26.7552 -26.7550 -26.7550 -18.1566 -18.1566 -18.1562 -18.1562 -18.0517 -18.0517 -18.0508 -18.0508 2.6520 2.6520 2.6557 2.6557 4.5014 4.5014 4.5349 4.5349 7.8739 7.8739 7.9034 7.9034 11.1341 11.1341 11.1546 11.1546 11.3291 11.3291 11.3378 11.3378 11.7005 11.7005 11.7031 11.7031 12.2285 12.2285 12.2922 12.2922 15.9029 15.9029 16.0221 16.0221 16.6175 16.6175 16.6537 16.6537 k = 0.1333 0.5000-0.0000 ( 3210 PWs) bands (ev): -53.8345 -53.8345 -53.8345 -53.8345 -26.7556 -26.7556 -26.7554 -26.7554 -18.1567 -18.1567 -18.1563 -18.1563 -18.0536 -18.0536 -18.0526 -18.0526 2.6665 2.6665 2.6704 2.6704 4.5300 4.5300 4.5663 4.5663 7.8902 7.8902 7.9217 7.9217 11.0709 11.0709 11.0987 11.0987 11.3128 11.3128 11.3333 11.3333 11.6085 11.6085 11.6273 11.6273 12.1786 12.1786 12.2415 12.2415 15.9334 15.9334 16.0571 16.0571 16.6241 16.6241 16.6368 16.6368 k = 0.1444 0.5000-0.0000 ( 3206 PWs) bands (ev): -53.8344 -53.8344 -53.8344 -53.8344 -26.7560 -26.7560 -26.7558 -26.7558 -18.1569 -18.1569 -18.1564 -18.1564 -18.0555 -18.0555 -18.0544 -18.0544 2.6821 2.6821 2.6862 2.6862 4.5611 4.5611 4.6002 4.6002 7.9072 7.9072 7.9406 7.9406 11.0025 11.0025 11.0394 11.0394 11.2886 11.2886 11.3277 11.3277 11.5087 11.5087 11.5513 11.5513 12.1361 12.1361 12.1965 12.1965 15.9589 15.9589 16.0839 16.0839 16.6278 16.6278 16.6349 16.6349 k = 0.1556 0.5000-0.0000 ( 3210 PWs) bands (ev): -53.8343 -53.8343 -53.8343 -53.8343 -26.7565 -26.7565 -26.7562 -26.7562 -18.1571 -18.1571 -18.1566 -18.1566 -18.0575 -18.0575 -18.0564 -18.0564 2.6986 2.6986 2.7030 2.7030 4.5948 4.5948 4.6366 4.6366 7.9248 7.9248 7.9598 7.9598 10.9284 10.9284 10.9761 10.9761 11.2491 11.2491 11.3151 11.3151 11.4106 11.4106 11.4862 11.4862 12.0987 12.0987 12.1553 12.1553 15.9798 15.9798 16.1026 16.1026 16.6271 16.6271 16.6498 16.6498 k = 0.1667 0.5000-0.0000 ( 3198 PWs) bands (ev): -53.8342 -53.8342 -53.8342 -53.8342 -26.7569 -26.7569 -26.7566 -26.7566 -18.1573 -18.1573 -18.1568 -18.1568 -18.0594 -18.0594 -18.0583 -18.0583 2.7161 2.7161 2.7206 2.7206 4.6311 4.6311 4.6754 4.6754 7.9426 7.9426 7.9791 7.9791 10.8475 10.8475 10.9075 10.9075 11.1899 11.1899 11.2620 11.2620 11.3521 11.3521 11.4409 11.4409 12.0645 12.0645 12.1163 12.1163 15.9973 15.9973 16.1141 16.1141 16.6344 16.6344 16.6681 16.6681 k = 0.1778 0.5000-0.0000 ( 3198 PWs) bands (ev): -53.8341 -53.8341 -53.8341 -53.8341 -26.7574 -26.7574 -26.7571 -26.7571 -18.1576 -18.1576 -18.1571 -18.1571 -18.0615 -18.0615 -18.0603 -18.0603 2.7344 2.7344 2.7391 2.7391 4.6698 4.6698 4.7166 4.7166 7.9606 7.9606 7.9982 7.9982 10.7586 10.7586 10.8314 10.8314 11.1159 11.1159 11.1669 11.1669 11.3389 11.3389 11.4140 11.4140 12.0321 12.0321 12.0786 12.0786 16.0123 16.0123 16.1201 16.1201 16.6488 16.6488 16.6897 16.6897 k = 0.1889 0.5000-0.0000 ( 3212 PWs) bands (ev): -53.8340 -53.8340 -53.8340 -53.8340 -26.7580 -26.7580 -26.7577 -26.7577 -18.1580 -18.1580 -18.1575 -18.1575 -18.0636 -18.0636 -18.0624 -18.0624 2.7536 2.7536 2.7584 2.7584 4.7110 4.7110 4.7602 4.7602 7.9784 7.9784 8.0169 8.0169 10.6609 10.6609 10.7454 10.7454 11.0370 11.0370 11.0704 11.0704 11.3347 11.3347 11.3983 11.3983 12.0006 12.0006 12.0412 12.0412 16.0260 16.0260 16.1223 16.1223 16.6688 16.6688 16.7139 16.7139 k = 0.2000 0.5000-0.0000 ( 3216 PWs) bands (ev): -53.8339 -53.8339 -53.8339 -53.8339 -26.7585 -26.7585 -26.7582 -26.7582 -18.1585 -18.1585 -18.1580 -18.1580 -18.0657 -18.0657 -18.0644 -18.0644 2.7734 2.7734 2.7784 2.7784 4.7547 4.7547 4.8062 4.8062 7.9958 7.9958 8.0349 8.0349 10.5542 10.5542 10.6474 10.6474 10.9597 10.9597 10.9824 10.9824 11.3330 11.3330 11.3890 11.3890 11.9695 11.9695 12.0039 12.0039 16.0395 16.0395 16.1227 16.1227 16.6932 16.6932 16.7407 16.7407 k = 0.2111 0.5000-0.0000 ( 3212 PWs) bands (ev): -53.8338 -53.8338 -53.8338 -53.8338 -26.7590 -26.7590 -26.7587 -26.7587 -18.1591 -18.1591 -18.1585 -18.1585 -18.0676 -18.0676 -18.0664 -18.0664 2.7939 2.7939 2.7990 2.7990 4.8007 4.8007 4.8545 4.8545 8.0126 8.0126 8.0521 8.0521 10.4396 10.4396 10.5380 10.5380 10.8869 10.8869 10.9048 10.9048 11.3326 11.3326 11.3833 11.3833 11.9385 11.9385 11.9666 11.9666 16.0535 16.0535 16.1229 16.1229 16.7206 16.7206 16.7696 16.7696 k = 0.2222 0.5000-0.0000 ( 3212 PWs) bands (ev): -53.8336 -53.8336 -53.8336 -53.8336 -26.7596 -26.7596 -26.7593 -26.7593 -18.1597 -18.1597 -18.1592 -18.1592 -18.0695 -18.0695 -18.0683 -18.0683 2.8150 2.8150 2.8201 2.8201 4.8492 4.8492 4.9051 4.9051 8.0286 8.0286 8.0681 8.0681 10.3184 10.3184 10.4192 10.4192 10.8192 10.8192 10.8365 10.8365 11.3334 11.3334 11.3799 11.3799 11.9075 11.9075 11.9290 11.9290 16.0690 16.0690 16.1242 16.1242 16.7500 16.7500 16.8005 16.8005 k = 0.2333 0.5000-0.0000 ( 3204 PWs) bands (ev): -53.8335 -53.8335 -53.8335 -53.8335 -26.7601 -26.7601 -26.7598 -26.7598 -18.1604 -18.1604 -18.1599 -18.1599 -18.0713 -18.0713 -18.0701 -18.0701 2.8365 2.8365 2.8416 2.8416 4.9000 4.9000 4.9579 4.9579 8.0435 8.0435 8.0828 8.0828 10.1925 10.1925 10.2939 10.2939 10.7564 10.7564 10.7756 10.7756 11.3353 11.3353 11.3782 11.3782 11.8767 11.8767 11.8914 11.8914 16.0864 16.0864 16.1276 16.1276 16.7806 16.7806 16.8330 16.8330 k = 0.2444 0.5000-0.0000 ( 3216 PWs) bands (ev): -53.8334 -53.8334 -53.8334 -53.8334 -26.7607 -26.7607 -26.7604 -26.7604 -18.1613 -18.1613 -18.1608 -18.1608 -18.0732 -18.0732 -18.0719 -18.0719 2.8584 2.8584 2.8635 2.8635 4.9531 4.9531 5.0130 5.0130 8.0573 8.0573 8.0960 8.0960 10.0633 10.0633 10.1644 10.1644 10.6980 10.6980 10.7203 10.7203 11.3382 11.3382 11.3777 11.3777 11.8461 11.8461 11.8539 11.8539 16.1064 16.1064 16.1338 16.1338 16.8114 16.8114 16.8666 16.8666 k = 0.2556 0.5000-0.0000 ( 3216 PWs) bands (ev): -53.8333 -53.8333 -53.8333 -53.8333 -26.7613 -26.7613 -26.7610 -26.7610 -18.1622 -18.1622 -18.1618 -18.1618 -18.0748 -18.0748 -18.0736 -18.0736 2.8806 2.8806 2.8856 2.8856 5.0085 5.0085 5.0701 5.0701 8.0697 8.0697 8.1075 8.1075 9.9320 9.9320 10.0324 10.0324 10.6434 10.6434 10.6693 10.6693 11.3424 11.3424 11.3782 11.3782 11.8160 11.8160 11.8167 11.8167 16.1293 16.1293 16.1433 16.1433 16.8418 16.8418 16.9010 16.9010 k = 0.2667 0.5000-0.0000 ( 3216 PWs) bands (ev): -53.8332 -53.8332 -53.8332 -53.8332 -26.7618 -26.7618 -26.7615 -26.7615 -18.1633 -18.1633 -18.1628 -18.1628 -18.0764 -18.0764 -18.0752 -18.0752 2.9029 2.9029 2.9079 2.9079 5.0660 5.0660 5.1294 5.1294 8.0806 8.0806 8.1172 8.1172 9.7996 9.7996 9.8992 9.8992 10.5925 10.5925 10.6219 10.6219 11.3477 11.3477 11.3794 11.3794 11.7800 11.7800 11.7868 11.7868 16.1554 16.1554 16.1566 16.1566 16.8710 16.8710 16.9351 16.9351 k = 0.2778 0.5000-0.0000 ( 3216 PWs) bands (ev): -53.8331 -53.8331 -53.8331 -53.8331 -26.7624 -26.7624 -26.7621 -26.7621 -18.1644 -18.1644 -18.1640 -18.1640 -18.0778 -18.0778 -18.0767 -18.0767 2.9253 2.9253 2.9302 2.9302 5.1257 5.1257 5.1906 5.1906 8.0899 8.0899 8.1250 8.1250 9.6666 9.6666 9.7655 9.7655 10.5448 10.5448 10.5775 10.5775 11.3542 11.3542 11.3811 11.3811 11.7441 11.7441 11.7587 11.7587 16.1738 16.1738 16.1850 16.1850 16.8983 16.8983 16.9674 16.9674 k = 0.2889 0.5000-0.0000 ( 3220 PWs) bands (ev): -53.8330 -53.8330 -53.8330 -53.8330 -26.7629 -26.7629 -26.7626 -26.7626 -18.1656 -18.1656 -18.1652 -18.1652 -18.0792 -18.0792 -18.0780 -18.0780 2.9477 2.9477 2.9525 2.9525 5.1875 5.1875 5.2538 5.2538 8.0975 8.0975 8.1309 8.1309 9.5339 9.5339 9.6321 9.6321 10.5003 10.5003 10.5358 10.5358 11.3617 11.3617 11.3829 11.3829 11.7093 11.7093 11.7321 11.7321 16.1952 16.1952 16.2182 16.2182 16.9232 16.9232 16.9963 16.9963 k = 0.3000 0.5000-0.0000 ( 3214 PWs) bands (ev): -53.8328 -53.8328 -53.8328 -53.8328 -26.7634 -26.7634 -26.7631 -26.7631 -18.1669 -18.1669 -18.1665 -18.1665 -18.0803 -18.0803 -18.0792 -18.0792 2.9699 2.9699 2.9746 2.9746 5.2512 5.2512 5.3188 5.3188 8.1034 8.1034 8.1348 8.1348 9.4017 9.4017 9.4994 9.4994 10.4586 10.4586 10.4965 10.4965 11.3700 11.3700 11.3844 11.3844 11.6761 11.6761 11.7077 11.7077 16.2208 16.2208 16.2551 16.2551 16.9456 16.9456 17.0202 17.0202 k = 0.3111 0.5000-0.0000 ( 3218 PWs) bands (ev): -53.8327 -53.8327 -53.8327 -53.8327 -26.7640 -26.7640 -26.7637 -26.7637 -18.1682 -18.1682 -18.1679 -18.1679 -18.0814 -18.0814 -18.0803 -18.0803 2.9918 2.9918 2.9964 2.9964 5.3169 5.3169 5.3855 5.3855 8.1077 8.1077 8.1367 8.1367 9.2706 9.2706 9.3678 9.3678 10.4198 10.4198 10.4595 10.4595 11.3787 11.3787 11.3852 11.3852 11.6450 11.6450 11.6860 11.6860 16.2506 16.2506 16.2958 16.2958 16.9654 16.9654 17.0391 17.0391 k = 0.3222 0.5000-0.0000 ( 3218 PWs) bands (ev): -53.8326 -53.8326 -53.8326 -53.8326 -26.7645 -26.7645 -26.7642 -26.7642 -18.1696 -18.1696 -18.1693 -18.1693 -18.0823 -18.0823 -18.0813 -18.0813 3.0133 3.0133 3.0178 3.0178 5.3843 5.3843 5.4539 5.4539 8.1103 8.1103 8.1369 8.1369 9.1409 9.1409 9.2377 9.2377 10.3837 10.3837 10.4247 10.4247 11.3847 11.3847 11.3872 11.3872 11.6166 11.6166 11.6675 11.6675 16.2846 16.2846 16.3400 16.3400 16.9830 16.9830 17.0541 17.0541 k = 0.3333 0.5000-0.0000 ( 3218 PWs) bands (ev): -53.8325 -53.8325 -53.8325 -53.8325 -26.7650 -26.7650 -26.7647 -26.7647 -18.1711 -18.1711 -18.1708 -18.1708 -18.0831 -18.0831 -18.0822 -18.0822 3.0344 3.0344 3.0386 3.0386 5.4534 5.4534 5.5237 5.5237 8.1114 8.1114 8.1352 8.1352 9.0129 9.0129 9.1094 9.1094 10.3503 10.3503 10.3919 10.3919 11.3824 11.3824 11.3945 11.3945 11.5921 11.5921 11.6528 11.6528 16.3228 16.3228 16.3878 16.3878 16.9986 16.9986 17.0665 17.0665 k = 0.3444 0.5000-0.0000 ( 3216 PWs) bands (ev): -53.8324 -53.8324 -53.8324 -53.8324 -26.7654 -26.7654 -26.7652 -26.7652 -18.1725 -18.1725 -18.1723 -18.1723 -18.0838 -18.0838 -18.0829 -18.0829 3.0548 3.0548 3.0588 3.0588 5.5239 5.5239 5.5947 5.5947 8.1111 8.1111 8.1318 8.1318 8.8871 8.8871 8.9833 8.9833 10.3195 10.3195 10.3611 10.3611 11.3780 11.3780 11.3992 11.3992 11.5728 11.5728 11.6422 11.6422 16.3649 16.3649 16.4389 16.4389 17.0126 17.0126 17.0771 17.0771 k = 0.3556 0.5000-0.0000 ( 3212 PWs) bands (ev): -53.8323 -53.8323 -53.8323 -53.8323 -26.7658 -26.7658 -26.7656 -26.7656 -18.1739 -18.1739 -18.1737 -18.1737 -18.0843 -18.0843 -18.0836 -18.0836 3.0745 3.0745 3.0783 3.0783 5.5958 5.5958 5.6668 5.6668 8.1096 8.1096 8.1269 8.1269 8.7637 8.7637 8.8598 8.8598 10.2911 10.2911 10.3323 10.3323 11.3714 11.3714 11.3996 11.3996 11.5603 11.5603 11.6358 11.6358 16.4108 16.4108 16.4929 16.4929 17.0253 17.0253 17.0868 17.0868 k = 0.3667 0.5000-0.0000 ( 3208 PWs) bands (ev): -53.8322 -53.8322 -53.8322 -53.8322 -26.7662 -26.7662 -26.7660 -26.7660 -18.1754 -18.1754 -18.1752 -18.1752 -18.0848 -18.0848 -18.0841 -18.0841 3.0933 3.0933 3.0969 3.0969 5.6687 5.6687 5.7397 5.7397 8.1068 8.1068 8.1205 8.1205 8.6432 8.6432 8.7392 8.7392 10.2652 10.2652 10.3053 10.3053 11.3627 11.3627 11.3946 11.3946 11.5556 11.5556 11.6333 11.6333 16.4602 16.4602 16.5495 16.5495 17.0369 17.0369 17.0958 17.0958 k = 0.3778 0.5000-0.0000 ( 3204 PWs) bands (ev): -53.8321 -53.8321 -53.8321 -53.8321 -26.7666 -26.7666 -26.7664 -26.7664 -18.1767 -18.1767 -18.1766 -18.1766 -18.0852 -18.0852 -18.0846 -18.0846 3.1112 3.1112 3.1145 3.1145 5.7424 5.7424 5.8129 5.8129 8.1031 8.1031 8.1124 8.1124 8.5262 8.5262 8.6224 8.6224 10.2416 10.2416 10.2802 10.2802 11.3525 11.3525 11.3846 11.3846 11.5580 11.5580 11.6340 11.6340 16.5126 16.5126 16.6079 16.6079 17.0477 17.0477 17.1046 17.1046 k = 0.3889 0.5000-0.0000 ( 3204 PWs) bands (ev): -53.8320 -53.8320 -53.8320 -53.8320 -26.7670 -26.7670 -26.7668 -26.7668 -18.1780 -18.1780 -18.1779 -18.1779 -18.0856 -18.0856 -18.0850 -18.0850 3.1279 3.1279 3.1310 3.1310 5.8165 5.8165 5.8861 5.8861 8.0982 8.0982 8.1026 8.1026 8.4133 8.4133 8.5102 8.5102 10.2205 10.2205 10.2570 10.2570 11.3413 11.3413 11.3714 11.3714 11.5658 11.5658 11.6373 11.6373 16.5678 16.5678 16.6674 16.6674 17.0578 17.0578 17.1134 17.1134 k = 0.4000 0.5000-0.0000 ( 3208 PWs) bands (ev): -53.8320 -53.8320 -53.8320 -53.8320 -26.7673 -26.7673 -26.7672 -26.7672 -18.1793 -18.1793 -18.1792 -18.1792 -18.0859 -18.0859 -18.0854 -18.0854 3.1435 3.1435 3.1462 3.1462 5.8905 5.8905 5.9587 5.9587 8.0902 8.0902 8.0919 8.0919 8.3060 8.3060 8.4040 8.4040 10.2016 10.2016 10.2357 10.2357 11.3297 11.3297 11.3567 11.3567 11.5768 11.5768 11.6423 11.6423 16.6249 16.6249 16.7269 16.7269 17.0675 17.0675 17.1225 17.1225 k = 0.4111 0.5000-0.0000 ( 3208 PWs) bands (ev): -53.8319 -53.8319 -53.8319 -53.8319 -26.7676 -26.7676 -26.7675 -26.7675 -18.1805 -18.1805 -18.1804 -18.1804 -18.0861 -18.0861 -18.0856 -18.0856 3.1577 3.1577 3.1602 3.1602 5.9638 5.9638 6.0300 6.0300 8.0732 8.0732 8.0817 8.0817 8.2075 8.2075 8.3070 8.3070 10.1850 10.1850 10.2162 10.2162 11.3183 11.3183 11.3417 11.3417 11.5896 11.5896 11.6482 11.6482 16.6833 16.6833 16.7849 16.7849 17.0770 17.0770 17.1326 17.1326 k = 0.4222 0.5000-0.0000 ( 3208 PWs) bands (ev): -53.8318 -53.8318 -53.8318 -53.8318 -26.7679 -26.7679 -26.7678 -26.7678 -18.1815 -18.1815 -18.1815 -18.1815 -18.0863 -18.0863 -18.0859 -18.0859 3.1705 3.1705 3.1727 3.1727 6.0357 6.0357 6.0989 6.0989 8.0465 8.0465 8.0546 8.0546 8.1322 8.1322 8.2250 8.2250 10.1707 10.1707 10.1987 10.1987 11.3075 11.3075 11.3274 11.3274 11.6031 11.6031 11.6545 11.6545 16.7418 16.7418 16.8396 16.8396 17.0867 17.0867 17.1441 17.1441 k = 0.4333 0.5000-0.0000 ( 3204 PWs) bands (ev): -53.8318 -53.8318 -53.8318 -53.8318 -26.7681 -26.7681 -26.7680 -26.7680 -18.1824 -18.1824 -18.1824 -18.1824 -18.0864 -18.0864 -18.0860 -18.0860 3.1819 3.1819 3.1838 3.1838 6.1050 6.1050 6.1642 6.1642 7.9893 7.9893 8.0027 8.0027 8.1028 8.1028 8.1669 8.1669 10.1586 10.1586 10.1831 10.1831 11.2977 11.2977 11.3143 11.3143 11.6165 11.6165 11.6605 11.6605 16.7992 16.7992 16.8886 16.8886 17.0972 17.0972 17.1575 17.1575 k = 0.4444 0.5000-0.0000 ( 3200 PWs) bands (ev): -53.8317 -53.8317 -53.8317 -53.8317 -26.7683 -26.7683 -26.7682 -26.7682 -18.1832 -18.1832 -18.1832 -18.1832 -18.0865 -18.0865 -18.0862 -18.0862 3.1917 3.1917 3.1933 3.1933 6.1705 6.1705 6.2243 6.2243 7.9138 7.9138 7.9426 7.9426 8.0932 8.0932 8.1334 8.1334 10.1487 10.1487 10.1695 10.1695 11.2892 11.2892 11.3026 11.3026 11.6291 11.6291 11.6658 11.6658 16.8534 16.8534 16.9297 16.9297 17.1092 17.1092 17.1730 17.1730 k = 0.4556 0.5000-0.0000 ( 3206 PWs) bands (ev): -53.8317 -53.8317 -53.8317 -53.8317 -26.7685 -26.7685 -26.7684 -26.7684 -18.1840 -18.1840 -18.1839 -18.1839 -18.0866 -18.0866 -18.0863 -18.0863 3.1998 3.1998 3.2011 3.2011 6.2305 6.2305 6.2773 6.2773 7.8453 7.8453 7.8778 7.8778 8.0883 8.0883 8.1146 8.1146 10.1410 10.1410 10.1579 10.1579 11.2822 11.2822 11.2927 11.2927 11.6407 11.6407 11.6701 11.6701 16.9018 16.9018 16.9613 16.9613 17.1238 17.1238 17.1892 17.1892 k = 0.4667 0.5000-0.0000 ( 3194 PWs) bands (ev): -53.8316 -53.8316 -53.8316 -53.8316 -26.7685 -26.7685 -26.7685 -26.7685 -18.1844 -18.1844 -18.1844 -18.1844 -18.0866 -18.0866 -18.0864 -18.0864 3.2062 3.2062 3.2072 3.2072 6.2829 6.2829 6.3206 6.3206 7.7889 7.7889 7.8184 7.8184 8.0856 8.0856 8.1029 8.1029 10.1356 10.1356 10.1484 10.1484 11.2769 11.2769 11.2845 11.2845 11.6509 11.6509 11.6728 11.6728 16.9418 16.9418 16.9833 16.9833 17.1419 17.1419 17.2035 17.2035 k = 0.4778 0.5000-0.0000 ( 3202 PWs) bands (ev): -53.8316 -53.8316 -53.8316 -53.8316 -26.7687 -26.7687 -26.7686 -26.7686 -18.1848 -18.1848 -18.1848 -18.1848 -18.0866 -18.0866 -18.0865 -18.0865 3.2109 3.2109 3.2115 3.2115 6.3251 6.3251 6.3519 6.3519 7.7480 7.7480 7.7700 7.7700 8.0843 8.0843 8.0950 8.0950 10.1323 10.1323 10.1409 10.1409 11.2733 11.2733 11.2783 11.2783 11.6593 11.6593 11.6739 11.6739 16.9714 16.9714 16.9965 16.9965 17.1630 17.1630 17.2121 17.2121 k = 0.4889 0.5000-0.0000 ( 3212 PWs) bands (ev): -53.8316 -53.8316 -53.8316 -53.8316 -26.7688 -26.7688 -26.7688 -26.7688 -18.1851 -18.1851 -18.1851 -18.1851 -18.0867 -18.0867 -18.0866 -18.0866 3.2137 3.2137 3.2141 3.2141 6.3548 6.3548 6.3687 6.3687 7.7249 7.7249 7.7367 7.7367 8.0846 8.0846 8.0897 8.0897 10.1312 10.1312 10.1356 10.1356 11.2716 11.2716 11.2741 11.2741 11.6659 11.6659 11.6732 11.6732 16.9903 16.9903 17.0019 17.0019 17.1845 17.1845 17.2120 17.2120 k = 0.5000 0.5000-0.0000 ( 3220 PWs) bands (ev): -53.8317 -53.8317 -53.8317 -53.8317 -26.7688 -26.7688 -26.7688 -26.7688 -18.1853 -18.1853 -18.1853 -18.1853 -18.0867 -18.0867 -18.0867 -18.0867 3.2148 3.2148 3.2148 3.2148 6.3697 6.3697 6.3697 6.3697 7.7211 7.7211 7.7211 7.7211 8.0863 8.0863 8.0863 8.0863 10.1323 10.1323 10.1323 10.1323 11.2719 11.2719 11.2719 11.2719 11.6705 11.6705 11.6705 11.6705 17.0000 17.0000 17.0000 17.0000 17.2021 17.2021 17.2021 17.2021 k = 0.5000 0.5000-0.0000 ( 3220 PWs) bands (ev): -53.8317 -53.8317 -53.8317 -53.8317 -26.7688 -26.7688 -26.7688 -26.7688 -18.1853 -18.1853 -18.1853 -18.1853 -18.0867 -18.0867 -18.0867 -18.0867 3.2148 3.2148 3.2148 3.2148 6.3697 6.3697 6.3697 6.3697 7.7211 7.7211 7.7211 7.7211 8.0863 8.0863 8.0863 8.0863 10.1323 10.1323 10.1323 10.1323 11.2719 11.2719 11.2719 11.2719 11.6705 11.6705 11.6705 11.6705 17.0000 17.0000 17.0000 17.0000 17.2021 17.2021 17.2021 17.2021 k = 0.4922 0.4922-0.0000 ( 3212 PWs) bands (ev): -53.8316 -53.8316 -53.8316 -53.8316 -26.7688 -26.7688 -26.7688 -26.7688 -18.1851 -18.1851 -18.1851 -18.1851 -18.0867 -18.0867 -18.0866 -18.0866 3.2122 3.2122 3.2156 3.2156 6.3505 6.3505 6.3734 6.3734 7.7200 7.7200 7.7412 7.7412 8.0845 8.0845 8.0898 8.0898 10.1289 10.1289 10.1379 10.1379 11.2716 11.2716 11.2741 11.2741 11.6659 11.6659 11.6733 11.6733 16.9891 16.9891 17.0033 17.0033 17.1829 17.1829 17.2135 17.2135 k = 0.4844 0.4844-0.0000 ( 3202 PWs) bands (ev): -53.8316 -53.8316 -53.8316 -53.8316 -26.7687 -26.7687 -26.7686 -26.7686 -18.1849 -18.1849 -18.1848 -18.1848 -18.0866 -18.0866 -18.0865 -18.0865 3.2044 3.2044 3.2181 3.2181 6.3020 6.3020 6.3774 6.3774 7.7219 7.7219 7.7932 7.7932 8.0836 8.0836 8.0960 8.0960 10.1203 10.1203 10.1527 10.1527 11.2733 11.2733 11.2782 11.2782 11.6590 11.6590 11.6745 11.6745 16.9643 16.9643 17.0058 17.0058 17.1505 17.1505 17.2227 17.2227 k = 0.4766 0.4766-0.0000 ( 3196 PWs) bands (ev): -53.8316 -53.8316 -53.8316 -53.8316 -26.7686 -26.7686 -26.7685 -26.7685 -18.1845 -18.1845 -18.1844 -18.1844 -18.0866 -18.0866 -18.0864 -18.0864 3.1914 3.1914 3.2221 3.2221 6.2287 6.2287 6.3838 6.3838 7.7254 7.7254 7.8710 7.8710 8.0835 8.0835 8.1071 8.1071 10.1058 10.1058 10.1770 10.1770 11.2770 11.2770 11.2842 11.2842 11.6500 11.6500 11.6746 11.6746 16.9257 16.9257 17.0084 17.0084 17.1038 17.1038 17.2322 17.2322 k = 0.4688 0.4687-0.0000 ( 3198 PWs) bands (ev): -53.8317 -53.8317 -53.8317 -53.8317 -26.7684 -26.7684 -26.7683 -26.7683 -18.1839 -18.1839 -18.1838 -18.1838 -18.0866 -18.0866 -18.0863 -18.0863 3.1733 3.1733 3.2277 3.2277 6.1372 6.1372 6.3927 6.3927 7.7302 7.7302 7.9617 7.9617 8.0842 8.0842 8.1290 8.1290 10.0853 10.0853 10.2102 10.2102 11.2824 11.2824 11.2918 11.2918 11.6393 11.6393 11.6741 11.6741 16.8751 16.8751 17.0062 17.0062 17.0496 17.0496 17.2420 17.2420 k = 0.4609 0.4609-0.0000 ( 3206 PWs) bands (ev): -53.8317 -53.8317 -53.8317 -53.8317 -26.7683 -26.7683 -26.7682 -26.7682 -18.1832 -18.1832 -18.1832 -18.1832 -18.0866 -18.0866 -18.0862 -18.0862 3.1501 3.1501 3.2349 3.2349 6.0335 6.0335 6.4041 6.4041 7.7365 7.7365 8.0395 8.0395 8.0862 8.0862 8.1820 8.1820 10.0587 10.0587 10.2516 10.2516 11.2895 11.2895 11.3012 11.3012 11.6277 11.6277 11.6734 11.6734 16.8144 16.8144 16.9600 16.9600 17.0299 17.0299 17.2508 17.2508 k = 0.4531 0.4531-0.0000 ( 3214 PWs) bands (ev): -53.8318 -53.8318 -53.8318 -53.8318 -26.7682 -26.7682 -26.7680 -26.7680 -18.1824 -18.1824 -18.1824 -18.1824 -18.0867 -18.0867 -18.0860 -18.0860 3.1221 3.1221 3.2435 3.2435 5.9217 5.9217 6.4181 6.4181 7.7441 7.7441 8.0811 8.0811 8.0902 8.0902 8.2847 8.2847 10.0258 10.0258 10.3003 10.3003 11.2979 11.2979 11.3123 11.3123 11.6159 11.6159 11.6729 11.6729 16.7456 16.7456 16.8835 16.8835 17.0340 17.0340 17.2570 17.2570 k = 0.4453 0.4453-0.0000 ( 3218 PWs) bands (ev): -53.8319 -53.8319 -53.8318 -53.8318 -26.7680 -26.7680 -26.7678 -26.7678 -18.1815 -18.1815 -18.1814 -18.1814 -18.0866 -18.0866 -18.0858 -18.0858 3.0892 3.0892 3.2535 3.2535 5.8049 5.8049 6.4345 6.4345 7.7531 7.7531 8.0945 8.0945 8.1062 8.1062 8.4165 8.4165 9.9865 9.9865 10.3553 10.3553 11.3071 11.3071 11.3251 11.3251 11.6050 11.6050 11.6730 11.6730 16.6701 16.6701 16.8003 16.8003 17.0408 17.0408 17.2593 17.2593 k = 0.4375 0.4375-0.0000 ( 3216 PWs) bands (ev): -53.8319 -53.8319 -53.8319 -53.8319 -26.7677 -26.7677 -26.7675 -26.7675 -18.1803 -18.1803 -18.1802 -18.1802 -18.0866 -18.0866 -18.0856 -18.0856 3.0517 3.0517 3.2649 3.2649 5.6852 5.6852 6.4535 6.4535 7.7635 7.7635 8.1029 8.1029 8.1255 8.1255 8.5614 8.5614 9.9409 9.9409 10.4154 10.4154 11.3165 11.3165 11.3399 11.3399 11.5955 11.5955 11.6746 11.6746 16.5897 16.5897 16.7148 16.7148 17.0479 17.0479 17.2565 17.2565 k = 0.4297 0.4297-0.0000 ( 3210 PWs) bands (ev): -53.8320 -53.8320 -53.8319 -53.8319 -26.7673 -26.7673 -26.7671 -26.7671 -18.1790 -18.1790 -18.1788 -18.1788 -18.0865 -18.0865 -18.0853 -18.0853 3.0097 3.0097 3.2775 3.2775 5.5639 5.5639 6.4750 6.4750 7.7753 7.7753 8.1141 8.1141 8.1446 8.1446 8.7140 8.7140 9.8892 9.8892 10.4797 10.4797 11.3256 11.3256 11.3569 11.3569 11.5878 11.5878 11.6786 11.6786 16.5059 16.5059 16.6287 16.6287 17.0535 17.0535 17.2482 17.2482 k = 0.4219 0.4219-0.0000 ( 3218 PWs) bands (ev): -53.8321 -53.8321 -53.8320 -53.8320 -26.7670 -26.7670 -26.7668 -26.7668 -18.1775 -18.1775 -18.1775 -18.1775 -18.0865 -18.0865 -18.0850 -18.0850 2.9634 2.9634 3.2913 3.2913 5.4422 5.4422 6.4990 6.4990 7.7884 7.7884 8.1288 8.1288 8.1646 8.1646 8.8719 8.8719 9.8317 9.8317 10.5468 10.5468 11.3340 11.3340 11.3760 11.3760 11.5820 11.5820 11.6858 11.6858 16.4208 16.4208 16.5430 16.5430 17.0551 17.0551 17.2344 17.2344 k = 0.4141 0.4141-0.0000 ( 3224 PWs) bands (ev): -53.8322 -53.8322 -53.8321 -53.8321 -26.7667 -26.7667 -26.7665 -26.7665 -18.1760 -18.1760 -18.1759 -18.1759 -18.0865 -18.0865 -18.0847 -18.0847 2.9131 2.9131 3.3061 3.3061 5.3208 5.3208 6.5255 6.5255 7.8029 7.8029 8.1474 8.1474 8.1860 8.1860 9.0334 9.0334 9.7691 9.7691 10.6157 10.6157 11.3418 11.3418 11.3973 11.3973 11.5775 11.5775 11.6973 11.6973 16.3363 16.3363 16.4584 16.4584 17.0483 17.0483 17.2173 17.2173 k = 0.4062 0.4062-0.0000 ( 3226 PWs) bands (ev): -53.8323 -53.8323 -53.8322 -53.8322 -26.7663 -26.7663 -26.7660 -26.7660 -18.1743 -18.1743 -18.1742 -18.1742 -18.0864 -18.0864 -18.0843 -18.0843 2.8589 2.8589 3.3218 3.3218 5.2002 5.2002 6.5545 6.5545 7.8187 7.8187 8.1700 8.1700 8.2091 8.2091 9.1973 9.1973 9.7023 9.7023 10.6850 10.6850 11.3491 11.3491 11.4208 11.4208 11.5739 11.5739 11.7140 11.7140 16.2543 16.2543 16.3751 16.3751 17.0273 17.0273 17.2017 17.2017 k = 0.3984 0.3984-0.0000 ( 3230 PWs) bands (ev): -53.8324 -53.8324 -53.8323 -53.8323 -26.7659 -26.7659 -26.7656 -26.7656 -18.1724 -18.1724 -18.1724 -18.1724 -18.0864 -18.0864 -18.0839 -18.0839 2.8010 2.8010 3.3383 3.3383 5.0808 5.0808 6.5859 6.5859 7.8357 7.8357 8.1970 8.1970 8.2341 8.2341 9.3607 9.3607 9.6343 9.6343 10.7538 10.7538 11.3562 11.3562 11.4463 11.4463 11.5709 11.5709 11.7361 11.7361 16.1758 16.1758 16.2939 16.2939 16.9893 16.9893 17.1906 17.1906 k = 0.3906 0.3906-0.0000 ( 3222 PWs) bands (ev): -53.8325 -53.8325 -53.8324 -53.8324 -26.7654 -26.7654 -26.7650 -26.7650 -18.1704 -18.1704 -18.1702 -18.1702 -18.0863 -18.0863 -18.0834 -18.0834 2.7399 2.7399 3.3553 3.3553 4.9630 4.9630 6.6198 6.6198 7.8541 7.8541 8.2282 8.2282 8.2611 8.2611 9.4935 9.4935 9.5951 9.5951 10.8209 10.8209 11.3632 11.3632 11.4737 11.4737 11.5686 11.5686 11.7637 11.7637 16.1013 16.1013 16.2159 16.2159 16.9386 16.9386 17.1766 17.1766 k = 0.3828 0.3828-0.0000 ( 3222 PWs) bands (ev): -53.8326 -53.8326 -53.8325 -53.8325 -26.7649 -26.7649 -26.7645 -26.7645 -18.1683 -18.1683 -18.1681 -18.1681 -18.0863 -18.0863 -18.0830 -18.0830 2.6756 2.6756 3.3728 3.3728 4.8469 4.8469 6.6561 6.6561 7.8737 7.8737 8.2633 8.2633 8.2908 8.2908 9.4597 9.4597 9.7211 9.7211 10.8855 10.8855 11.3703 11.3703 11.5026 11.5026 11.5673 11.5673 11.7964 11.7964 16.0299 16.0299 16.1434 16.1434 16.8813 16.8813 17.1506 17.1506 k = 0.3750 0.3750-0.0000 ( 3222 PWs) bands (ev): -53.8327 -53.8327 -53.8326 -53.8326 -26.7644 -26.7644 -26.7639 -26.7639 -18.1661 -18.1661 -18.1658 -18.1658 -18.0862 -18.0862 -18.0825 -18.0825 2.6084 2.6084 3.3905 3.3905 4.7328 4.7328 6.6949 6.6949 7.8945 7.8945 8.3011 8.3011 8.3245 8.3245 9.3844 9.3844 9.8871 9.8871 10.9468 10.9468 11.3776 11.3776 11.5315 11.5315 11.5691 11.5691 11.8339 11.8339 15.9592 15.9592 16.0802 16.0802 16.8218 16.8218 17.1167 17.1167 k = 0.3672 0.3672-0.0000 ( 3230 PWs) bands (ev): -53.8328 -53.8328 -53.8328 -53.8328 -26.7639 -26.7639 -26.7633 -26.7633 -18.1638 -18.1638 -18.1634 -18.1634 -18.0862 -18.0862 -18.0820 -18.0820 2.5387 2.5387 3.4083 3.4083 4.6209 4.6209 6.7361 6.7361 7.9166 7.9166 8.3388 8.3388 8.3648 8.3648 9.3050 9.3050 10.0557 10.0557 11.0046 11.0046 11.3848 11.3848 11.5525 11.5525 11.5822 11.5822 11.8757 11.8757 15.8861 15.8861 16.0301 16.0301 16.7629 16.7629 17.0790 17.0790 k = 0.3594 0.3594-0.0000 ( 3230 PWs) bands (ev): -53.8329 -53.8329 -53.8329 -53.8329 -26.7634 -26.7634 -26.7627 -26.7627 -18.1613 -18.1613 -18.1608 -18.1608 -18.0861 -18.0861 -18.0814 -18.0814 2.4667 2.4667 3.4259 3.4259 4.5112 4.5112 6.7796 6.7796 7.9398 7.9398 8.3752 8.3752 8.4128 8.4128 9.2250 9.2250 10.2228 10.2228 11.0593 11.0593 11.3915 11.3915 11.5603 11.5603 11.6122 11.6122 11.9215 11.9215 15.8095 15.8095 15.9946 15.9946 16.7067 16.7067 17.0386 17.0386 k = 0.3516 0.3516-0.0000 ( 3230 PWs) bands (ev): -53.8331 -53.8331 -53.8330 -53.8330 -26.7628 -26.7628 -26.7620 -26.7620 -18.1587 -18.1587 -18.1582 -18.1582 -18.0860 -18.0860 -18.0809 -18.0809 2.3926 2.3926 3.4431 3.4431 4.4039 4.4039 6.8256 6.8256 7.9642 7.9642 8.4118 8.4118 8.4670 8.4670 9.1457 9.1457 10.3854 10.3854 11.1124 11.1124 11.3972 11.3972 11.5662 11.5662 11.6486 11.6486 11.9710 11.9710 15.7301 15.7301 15.9732 15.9732 16.6549 16.6549 16.9959 16.9959 k = 0.3438 0.3437-0.0000 ( 3222 PWs) bands (ev): -53.8332 -53.8332 -53.8332 -53.8332 -26.7622 -26.7622 -26.7612 -26.7612 -18.1560 -18.1560 -18.1553 -18.1553 -18.0859 -18.0859 -18.0802 -18.0802 2.3168 2.3168 3.4596 3.4596 4.2991 4.2991 6.8738 6.8738 7.9895 7.9895 8.4493 8.4493 8.5263 8.5263 9.0683 9.0683 10.5393 10.5393 11.1673 11.1673 11.4015 11.4015 11.5741 11.5741 11.6878 11.6878 12.0239 12.0239 15.6487 15.6487 15.9644 15.9644 16.6094 16.6094 16.9511 16.9511 k = 0.3359 0.3359-0.0000 ( 3218 PWs) bands (ev): -53.8333 -53.8333 -53.8333 -53.8333 -26.7615 -26.7615 -26.7605 -26.7605 -18.1532 -18.1532 -18.1525 -18.1525 -18.0858 -18.0858 -18.0796 -18.0796 2.2394 2.2394 3.4752 3.4752 4.1969 4.1969 6.9245 6.9245 8.0155 8.0155 8.4882 8.4882 8.5900 8.5900 8.9941 8.9941 10.6777 10.6777 11.2301 11.2301 11.4038 11.4038 11.5853 11.5853 11.7293 11.7293 12.0800 12.0800 15.5661 15.5661 15.9657 15.9657 16.5725 16.5725 16.9043 16.9043 k = 0.3281 0.3281-0.0000 ( 3214 PWs) bands (ev): -53.8335 -53.8335 -53.8335 -53.8335 -26.7608 -26.7608 -26.7597 -26.7597 -18.1503 -18.1503 -18.1495 -18.1495 -18.0857 -18.0857 -18.0789 -18.0789 2.1608 2.1608 3.4896 3.4896 4.0973 4.0973 6.9774 6.9774 8.0419 8.0419 8.5285 8.5285 8.6576 8.6576 8.9244 8.9244 10.7913 10.7913 11.3089 11.3089 11.4037 11.4037 11.6009 11.6009 11.7728 11.7728 12.1391 12.1391 15.4826 15.4826 15.9742 15.9742 16.5474 16.5474 16.8554 16.8554 k = 0.3203 0.3203-0.0000 ( 3208 PWs) bands (ev): -53.8336 -53.8336 -53.8336 -53.8336 -26.7601 -26.7601 -26.7589 -26.7589 -18.1473 -18.1473 -18.1464 -18.1464 -18.0855 -18.0855 -18.0782 -18.0782 2.0812 2.0812 3.5024 3.5024 4.0005 4.0005 7.0326 7.0326 8.0683 8.0683 8.5698 8.5698 8.7278 8.7278 8.8612 8.8612 10.8732 10.8732 11.3991 11.3991 11.4109 11.4109 11.6229 11.6229 11.8183 11.8183 12.2011 12.2011 15.3985 15.3985 15.9858 15.9858 16.5378 16.5378 16.8045 16.8045 k = 0.3125 0.3125-0.0000 ( 3212 PWs) bands (ev): -53.8338 -53.8338 -53.8338 -53.8338 -26.7594 -26.7594 -26.7582 -26.7582 -18.1443 -18.1443 -18.1433 -18.1433 -18.0854 -18.0854 -18.0775 -18.0775 2.0008 2.0008 3.5132 3.5132 3.9068 3.9068 7.0900 7.0900 8.0938 8.0938 8.6114 8.6114 8.7854 8.7854 8.8219 8.8219 10.9243 10.9243 11.3957 11.3957 11.5196 11.5196 11.6610 11.6610 11.8660 11.8660 12.2659 12.2659 15.3138 15.3138 15.9960 15.9960 16.5479 16.5479 16.7513 16.7513 k = 0.3047 0.3047-0.0000 ( 3212 PWs) bands (ev): -53.8339 -53.8339 -53.8339 -53.8339 -26.7587 -26.7587 -26.7574 -26.7574 -18.1411 -18.1411 -18.1401 -18.1401 -18.0853 -18.0853 -18.0768 -18.0768 1.9199 1.9199 3.5213 3.5213 3.8166 3.8166 7.1497 7.1497 8.1176 8.1176 8.6496 8.6496 8.7563 8.7563 8.8849 8.8849 10.9519 10.9519 11.3889 11.3889 11.6001 11.6001 11.7471 11.7471 11.9163 11.9163 12.3333 12.3333 15.2286 15.2286 16.0012 16.0012 16.5807 16.5807 16.6956 16.6956 k = 0.2969 0.2969-0.0000 ( 3220 PWs) bands (ev): -53.8341 -53.8341 -53.8341 -53.8341 -26.7581 -26.7581 -26.7566 -26.7566 -18.1380 -18.1380 -18.1369 -18.1369 -18.0852 -18.0852 -18.0761 -18.0761 1.8387 1.8387 3.5251 3.5251 3.7313 3.7313 7.2116 7.2116 8.1382 8.1382 8.6677 8.6677 8.7459 8.7459 8.9629 8.9629 10.9638 10.9638 11.3806 11.3806 11.6409 11.6409 11.8800 11.8800 11.9730 11.9730 12.4032 12.4032 15.1429 15.1429 16.0002 16.0002 16.6366 16.6366 16.6371 16.6371 k = 0.2891 0.2891-0.0000 ( 3216 PWs) bands (ev): -53.8343 -53.8343 -53.8342 -53.8342 -26.7572 -26.7572 -26.7558 -26.7558 -18.1346 -18.1346 -18.1336 -18.1336 -18.0850 -18.0850 -18.0754 -18.0754 1.7574 1.7574 3.5204 3.5204 3.6549 3.6549 7.2756 7.2756 8.1542 8.1542 8.6568 8.6568 8.7774 8.7774 9.0427 9.0427 10.9657 10.9657 11.3714 11.3714 11.6697 11.6697 11.9940 11.9940 12.0680 12.0680 12.4758 12.4758 15.0568 15.0568 15.9940 15.9940 16.5753 16.5753 16.7130 16.7130 k = 0.2812 0.2812-0.0000 ( 3208 PWs) bands (ev): -53.8344 -53.8344 -53.8344 -53.8344 -26.7564 -26.7564 -26.7549 -26.7549 -18.1312 -18.1312 -18.1301 -18.1301 -18.0849 -18.0849 -18.0746 -18.0746 1.6762 1.6762 3.4941 3.4941 3.6003 3.6003 7.3418 7.3418 8.1644 8.1644 8.6462 8.6462 8.8236 8.8236 9.1228 9.1228 10.9618 10.9618 11.3618 11.3618 11.6953 11.6953 12.0584 12.0584 12.2189 12.2189 12.5511 12.5511 14.9700 14.9700 15.9849 15.9849 16.5099 16.5099 16.8049 16.8049 k = 0.2734 0.2734-0.0000 ( 3208 PWs) bands (ev): -53.8346 -53.8346 -53.8345 -53.8345 -26.7556 -26.7556 -26.7541 -26.7541 -18.1278 -18.1278 -18.1267 -18.1267 -18.0847 -18.0847 -18.0739 -18.0739 1.5954 1.5954 3.4370 3.4370 3.5766 3.5766 7.4100 7.4100 8.1680 8.1680 8.6471 8.6471 8.8745 8.8745 9.2018 9.2018 10.9554 10.9554 11.3524 11.3524 11.7198 11.7198 12.1154 12.1154 12.3784 12.3784 12.6297 12.6297 14.8826 14.8826 15.9752 15.9752 16.4404 16.4404 16.8973 16.8973 k = 0.2656 0.2656-0.0000 ( 3208 PWs) bands (ev): -53.8347 -53.8347 -53.8347 -53.8347 -26.7549 -26.7549 -26.7533 -26.7533 -18.1244 -18.1244 -18.1232 -18.1232 -18.0846 -18.0846 -18.0732 -18.0732 1.5151 1.5151 3.3662 3.3662 3.5664 3.5664 7.4803 7.4803 8.1661 8.1661 8.6608 8.6608 8.9281 8.9281 9.2781 9.2781 10.9493 10.9493 11.3434 11.3434 11.7434 11.7434 12.1721 12.1721 12.5350 12.5350 12.7133 12.7133 14.7946 14.7946 15.9667 15.9667 16.3665 16.3665 16.8916 16.8916 k = 0.2578 0.2578-0.0000 ( 3204 PWs) bands (ev): -53.8349 -53.8349 -53.8349 -53.8349 -26.7540 -26.7540 -26.7524 -26.7524 -18.1209 -18.1209 -18.1197 -18.1197 -18.0844 -18.0844 -18.0724 -18.0724 1.4354 1.4354 3.2929 3.2929 3.5586 3.5586 7.5526 7.5526 8.1604 8.1604 8.6865 8.6865 8.9838 8.9838 9.3499 9.3499 10.9465 10.9465 11.3352 11.3352 11.7662 11.7662 12.2294 12.2294 12.6805 12.6805 12.8069 12.8069 14.7059 14.7059 15.9603 15.9603 16.2885 16.2885 16.8280 16.8280 k = 0.2500 0.2500-0.0000 ( 3196 PWs) bands (ev): -53.8351 -53.8351 -53.8350 -53.8350 -26.7532 -26.7532 -26.7515 -26.7515 -18.1174 -18.1174 -18.1161 -18.1161 -18.0842 -18.0842 -18.0716 -18.0716 1.3567 1.3567 3.2203 3.2203 3.5499 3.5499 7.6268 7.6268 8.1532 8.1532 8.7221 8.7221 9.0413 9.0413 9.4151 9.4151 10.9501 10.9501 11.3279 11.3279 11.7880 11.7880 12.2877 12.2877 12.8030 12.8030 12.9203 12.9203 14.6164 14.6164 15.9556 15.9556 16.2080 16.2080 16.7623 16.7623 k = 0.2422 0.2422-0.0000 ( 3200 PWs) bands (ev): -53.8353 -53.8353 -53.8352 -53.8352 -26.7525 -26.7525 -26.7507 -26.7507 -18.1139 -18.1139 -18.1126 -18.1126 -18.0840 -18.0840 -18.0708 -18.0708 1.2789 1.2789 3.1492 3.1492 3.5393 3.5393 7.7029 7.7029 8.1465 8.1465 8.7660 8.7660 9.1005 9.1005 9.4716 9.4716 10.9628 10.9628 11.3216 11.3216 11.8085 11.8085 12.3467 12.3467 12.9023 12.9023 13.0522 13.0522 14.5262 14.5262 15.9484 15.9484 16.1304 16.1304 16.6989 16.6989 k = 0.2344 0.2344-0.0000 ( 3206 PWs) bands (ev): -53.8354 -53.8354 -53.8354 -53.8354 -26.7518 -26.7518 -26.7498 -26.7498 -18.1105 -18.1105 -18.1090 -18.1090 -18.0839 -18.0839 -18.0701 -18.0701 1.2023 1.2023 3.0802 3.0802 3.5264 3.5264 7.7809 7.7809 8.1419 8.1419 8.8164 8.8164 9.1613 9.1613 9.5173 9.5173 10.9874 10.9874 11.3164 11.3164 11.8277 11.8277 12.4066 12.4066 12.9910 12.9910 13.1883 13.1883 14.4353 14.4353 15.9225 15.9225 16.0732 16.0732 16.6384 16.6384 k = 0.2266 0.2266-0.0000 ( 3212 PWs) bands (ev): -53.8356 -53.8356 -53.8356 -53.8356 -26.7511 -26.7511 -26.7490 -26.7490 -18.1071 -18.1071 -18.1055 -18.1055 -18.0837 -18.0837 -18.0693 -18.0693 1.1271 1.1271 3.0134 3.0134 3.5112 3.5112 7.8605 7.8605 8.1407 8.1407 8.8725 8.8725 9.2236 9.2236 9.5507 9.5507 11.0257 11.0257 11.3126 11.3126 11.8452 11.8452 12.4672 12.4672 13.0755 13.0755 13.3204 13.3204 14.3437 14.3437 15.8578 15.8578 16.0578 16.0578 16.5810 16.5810 k = 0.2188 0.2187-0.0000 ( 3210 PWs) bands (ev): -53.8358 -53.8358 -53.8357 -53.8357 -26.7503 -26.7503 -26.7481 -26.7481 -18.1036 -18.1036 -18.1019 -18.1019 -18.0835 -18.0835 -18.0685 -18.0685 1.0533 1.0533 2.9488 2.9488 3.4935 3.4935 7.9417 7.9417 8.1436 8.1436 8.9332 8.9332 9.2873 9.2873 9.5710 9.5710 11.0787 11.0787 11.3103 11.3103 11.8608 11.8608 12.5285 12.5285 13.1579 13.1579 13.4451 13.4451 14.2516 14.2516 15.7675 15.7675 16.0716 16.0716 16.5264 16.5264 k = 0.2109 0.2109-0.0000 ( 3214 PWs) bands (ev): -53.8359 -53.8359 -53.8359 -53.8359 -26.7496 -26.7496 -26.7473 -26.7473 -18.1002 -18.1002 -18.0984 -18.0984 -18.0833 -18.0833 -18.0678 -18.0678 0.9811 0.9811 2.8866 2.8866 3.4736 3.4736 8.0240 8.0240 8.1516 8.1516 8.9981 8.9981 9.3523 9.3523 9.5787 9.5787 11.1453 11.1453 11.3107 11.3107 11.8744 11.8744 12.5902 12.5902 13.2385 13.2385 13.5605 13.5605 14.1594 14.1594 15.6673 15.6673 16.0998 16.0998 16.4745 16.4745 k = 0.2031 0.2031-0.0000 ( 3210 PWs) bands (ev): -53.8361 -53.8361 -53.8360 -53.8360 -26.7488 -26.7488 -26.7464 -26.7464 -18.0967 -18.0967 -18.0949 -18.0949 -18.0830 -18.0830 -18.0670 -18.0670 0.9106 0.9106 2.8267 2.8267 3.4516 3.4516 8.1051 8.1051 8.1669 8.1669 9.0666 9.0666 9.4185 9.4185 9.5748 9.5748 11.2201 11.2201 11.3184 11.3184 11.8857 11.8857 12.6522 12.6522 13.3168 13.3168 13.6654 13.6654 14.0677 14.0677 15.5630 15.5630 16.1363 16.1363 16.4251 16.4251 k = 0.1953 0.1953-0.0000 ( 3206 PWs) bands (ev): -53.8362 -53.8362 -53.8362 -53.8362 -26.7480 -26.7480 -26.7456 -26.7456 -18.0933 -18.0933 -18.0915 -18.0915 -18.0827 -18.0827 -18.0663 -18.0663 0.8419 0.8419 2.7691 2.7691 3.4276 3.4276 8.1643 8.1643 8.2103 8.2103 9.1383 9.1383 9.4858 9.4858 9.5611 9.5611 11.2741 11.2741 11.3609 11.3609 11.8945 11.8945 12.7145 12.7145 13.3917 13.3917 13.7581 13.7581 13.9786 13.9786 15.4571 15.4571 16.1773 16.1773 16.3788 16.3788 k = 0.1875 0.1875-0.0000 ( 3214 PWs) bands (ev): -53.8364 -53.8364 -53.8363 -53.8363 -26.7472 -26.7472 -26.7449 -26.7449 -18.0900 -18.0900 -18.0884 -18.0884 -18.0822 -18.0822 -18.0656 -18.0656 0.7752 0.7752 2.7139 2.7139 3.4020 3.4020 8.1920 8.1920 8.2913 8.2913 9.2127 9.2127 9.5377 9.5377 9.5557 9.5557 11.2887 11.2887 11.4549 11.4549 11.9007 11.9007 12.7768 12.7768 13.4606 13.4606 13.8265 13.8265 13.9066 13.9066 15.3511 15.3511 16.2169 16.2169 16.3385 16.3385 k = 0.1797 0.1797-0.0000 ( 3210 PWs) bands (ev): -53.8366 -53.8366 -53.8365 -53.8365 -26.7465 -26.7465 -26.7441 -26.7441 -18.0868 -18.0868 -18.0855 -18.0855 -18.0814 -18.0814 -18.0648 -18.0648 0.7105 0.7105 2.6610 2.6610 3.3748 3.3748 8.2186 8.2186 8.3794 8.3794 9.2892 9.2892 9.5113 9.5113 9.6239 9.6239 11.2937 11.2937 11.5686 11.5686 11.9045 11.9045 12.8389 12.8389 13.5164 13.5164 13.7947 13.7947 13.9346 13.9346 15.2463 15.2463 16.2355 16.2355 16.3211 16.3211 k = 0.1719 0.1719-0.0000 ( 3204 PWs) bands (ev): -53.8367 -53.8367 -53.8366 -53.8366 -26.7458 -26.7458 -26.7433 -26.7433 -18.0843 -18.0843 -18.0829 -18.0829 -18.0797 -18.0797 -18.0641 -18.0641 0.6479 0.6479 2.6105 2.6105 3.3465 3.3465 8.2486 8.2486 8.4698 8.4698 9.3652 9.3652 9.4820 9.4820 9.6938 9.6938 11.2971 11.2971 11.6917 11.6917 11.9063 11.9063 12.9005 12.9005 13.5374 13.5374 13.7515 13.7515 13.9958 13.9958 15.1437 15.1437 16.2115 16.2115 16.3453 16.3453 k = 0.1641 0.1641-0.0000 ( 3198 PWs) bands (ev): -53.8369 -53.8369 -53.8368 -53.8368 -26.7450 -26.7450 -26.7425 -26.7425 -18.0833 -18.0833 -18.0799 -18.0799 -18.0770 -18.0770 -18.0634 -18.0634 0.5875 0.5875 2.5623 2.5623 3.3172 3.3172 8.2822 8.2822 8.5617 8.5617 9.4146 9.4146 9.4780 9.4780 9.7643 9.7643 11.3005 11.3005 11.8161 11.8161 11.9108 11.9108 12.9615 12.9615 13.4982 13.4982 13.7605 13.7605 14.0521 14.0521 15.0443 15.0443 16.1711 16.1711 16.3825 16.3825 k = 0.1562 0.1562-0.0000 ( 3194 PWs) bands (ev): -53.8370 -53.8370 -53.8369 -53.8369 -26.7444 -26.7444 -26.7417 -26.7417 -18.0828 -18.0828 -18.0769 -18.0769 -18.0741 -18.0741 -18.0625 -18.0625 0.5294 0.5294 2.5164 2.5164 3.2873 3.2873 8.3195 8.3195 8.6551 8.6551 9.3912 9.3912 9.5465 9.5465 9.8351 9.8351 11.3042 11.3042 11.8800 11.8800 11.9782 11.9782 13.0211 13.0211 13.4218 13.4218 13.8010 13.8010 14.1022 14.1022 14.9493 14.9493 16.1270 16.1270 16.4178 16.4178 k = 0.1484 0.1484-0.0000 ( 3192 PWs) bands (ev): -53.8371 -53.8371 -53.8370 -53.8370 -26.7437 -26.7437 -26.7410 -26.7410 -18.0824 -18.0824 -18.0739 -18.0739 -18.0712 -18.0712 -18.0618 -18.0618 0.4737 0.4737 2.4728 2.4728 3.2570 3.2570 8.3601 8.3601 8.7495 8.7495 9.3534 9.3534 9.6295 9.6295 9.9060 9.9060 11.3083 11.3083 11.8783 11.8783 12.1120 12.1120 13.0780 13.0780 13.3342 13.3342 13.8475 13.8475 14.1465 14.1465 14.8599 14.8599 16.0817 16.0817 16.4474 16.4474 k = 0.1406 0.1406-0.0000 ( 3196 PWs) bands (ev): -53.8373 -53.8373 -53.8372 -53.8372 -26.7431 -26.7431 -26.7403 -26.7403 -18.0822 -18.0822 -18.0710 -18.0710 -18.0684 -18.0684 -18.0612 -18.0612 0.4204 0.4204 2.4315 2.4315 3.2266 3.2266 8.4038 8.4038 8.8450 8.8450 9.3135 9.3135 9.7153 9.7153 9.9767 9.9767 11.3129 11.3129 11.8680 11.8680 12.2539 12.2539 13.1245 13.1245 13.2511 13.2511 13.8905 13.8905 14.1862 14.1862 14.7778 14.7778 16.0360 16.0360 16.4698 16.4698 k = 0.1328 0.1328-0.0000 ( 3200 PWs) bands (ev): -53.8374 -53.8374 -53.8373 -53.8373 -26.7425 -26.7425 -26.7397 -26.7397 -18.0820 -18.0820 -18.0683 -18.0683 -18.0656 -18.0656 -18.0605 -18.0605 0.3696 0.3696 2.3925 2.3925 3.1963 3.1963 8.4502 8.4502 8.9414 8.9414 9.2732 9.2732 9.8022 9.8022 10.0468 10.0468 11.3179 11.3179 11.8542 11.8542 12.3978 12.3978 13.1067 13.1067 13.2291 13.2291 13.9255 13.9255 14.2220 14.2220 14.7051 14.7051 15.9901 15.9901 16.4833 16.4833 k = 0.1250 0.1250-0.0000 ( 3192 PWs) bands (ev): -53.8375 -53.8375 -53.8374 -53.8374 -26.7419 -26.7419 -26.7390 -26.7390 -18.0818 -18.0818 -18.0655 -18.0655 -18.0630 -18.0630 -18.0598 -18.0598 0.3215 0.3215 2.3557 2.3557 3.1664 3.1664 8.4990 8.4990 9.0382 9.0382 9.2337 9.2337 9.8892 9.8892 10.1161 10.1161 11.3233 11.3233 11.8379 11.8379 12.5415 12.5415 13.0216 13.0216 13.2724 13.2724 13.9489 13.9489 14.2549 14.2549 14.6446 14.6446 15.9446 15.9446 16.4826 16.4826 k = 0.1172 0.1172-0.0000 ( 3192 PWs) bands (ev): -53.8377 -53.8377 -53.8375 -53.8375 -26.7413 -26.7413 -26.7384 -26.7384 -18.0816 -18.0816 -18.0629 -18.0629 -18.0609 -18.0609 -18.0587 -18.0587 0.2759 0.2759 2.3213 2.3213 3.1372 3.1372 8.5498 8.5498 9.1332 9.1332 9.1975 9.1975 9.9757 9.9757 10.1840 10.1840 11.3291 11.3291 11.8197 11.8197 12.6827 12.6827 12.9266 12.9266 13.3247 13.3247 13.9579 13.9579 14.2856 14.2856 14.5991 14.5991 15.8997 15.8997 16.4563 16.4563 k = 0.1094 0.1094-0.0000 ( 3188 PWs) bands (ev): -53.8378 -53.8378 -53.8376 -53.8376 -26.7408 -26.7408 -26.7378 -26.7378 -18.0814 -18.0814 -18.0605 -18.0605 -18.0595 -18.0595 -18.0570 -18.0570 0.2331 0.2331 2.2891 2.2891 3.1088 3.1088 8.6021 8.6021 9.1526 9.1526 9.2389 9.2389 10.0606 10.0606 10.2502 10.2502 11.3352 11.3352 11.8006 11.8006 12.8083 12.8083 12.8411 12.8411 13.3779 13.3779 13.9508 13.9508 14.3147 14.3147 14.5708 14.5708 15.8560 15.8560 16.4162 16.4162 k = 0.1016 0.1016-0.0000 ( 3184 PWs) bands (ev): -53.8379 -53.8379 -53.8377 -53.8377 -26.7402 -26.7402 -26.7373 -26.7373 -18.0812 -18.0812 -18.0589 -18.0589 -18.0581 -18.0581 -18.0548 -18.0548 0.1929 0.1929 2.2592 2.2592 3.0815 3.0815 8.6555 8.6555 9.1184 9.1184 9.3358 9.3358 10.1430 10.1430 10.3139 10.3139 11.3416 11.3416 11.7813 11.7813 12.7306 12.7306 12.9523 12.9523 13.4308 13.4308 13.9280 13.9280 14.3426 14.3426 14.5603 14.5603 15.8138 15.8138 16.3654 16.3654 k = 0.0938 0.0937-0.0000 ( 3180 PWs) bands (ev): -53.8380 -53.8380 -53.8378 -53.8378 -26.7397 -26.7397 -26.7368 -26.7368 -18.0810 -18.0810 -18.0583 -18.0583 -18.0559 -18.0559 -18.0528 -18.0528 0.1556 0.1556 2.2315 2.2315 3.0554 3.0554 8.7095 8.7095 9.0847 9.0847 9.4342 9.4342 10.2216 10.2216 10.3748 10.3748 11.3481 11.3481 11.7629 11.7629 12.6360 12.6360 13.0712 13.0712 13.4834 13.4834 13.8928 13.8928 14.3690 14.3690 14.5667 14.5667 15.7737 15.7737 16.2612 16.2612 k = 0.0859 0.0859-0.0000 ( 3180 PWs) bands (ev): -53.8381 -53.8381 -53.8379 -53.8379 -26.7393 -26.7393 -26.7363 -26.7363 -18.0808 -18.0808 -18.0578 -18.0578 -18.0539 -18.0539 -18.0508 -18.0508 0.1211 0.1211 2.2061 2.2061 3.0308 3.0308 8.7636 8.7636 9.0529 9.0529 9.5327 9.5327 10.2951 10.2951 10.4320 10.4320 11.3548 11.3548 11.7465 11.7465 12.5434 12.5434 13.1756 13.1756 13.5359 13.5359 13.8501 13.8501 14.3930 14.3930 14.5892 14.5892 15.7357 15.7357 16.1522 16.1522 k = 0.0781 0.0781-0.0000 ( 3174 PWs) bands (ev): -53.8381 -53.8381 -53.8379 -53.8379 -26.7388 -26.7388 -26.7359 -26.7359 -18.0807 -18.0807 -18.0573 -18.0573 -18.0520 -18.0520 -18.0489 -18.0489 0.0895 0.0895 2.1829 2.1829 3.0078 3.0078 8.8171 8.8171 9.0234 9.0234 9.6309 9.6309 10.3618 10.3618 10.4850 10.4850 11.3615 11.3615 11.7333 11.7333 12.4542 12.4542 13.2604 13.2604 13.5880 13.5880 13.8060 13.8060 14.4129 14.4129 14.6277 14.6277 15.6997 15.6997 16.0500 16.0500 k = 0.0703 0.0703-0.0000 ( 3168 PWs) bands (ev): -53.8382 -53.8382 -53.8380 -53.8380 -26.7384 -26.7384 -26.7355 -26.7355 -18.0805 -18.0805 -18.0569 -18.0569 -18.0502 -18.0502 -18.0471 -18.0471 0.0608 0.0608 2.1619 2.1619 2.9865 2.9865 8.8692 8.8692 8.9966 8.9966 9.7282 9.7282 10.4203 10.4203 10.5331 10.5331 11.3682 11.3682 11.7241 11.7241 12.3698 12.3698 13.3207 13.3207 13.6367 13.6367 13.7690 13.7690 14.4278 14.4278 14.6818 14.6818 15.6651 15.6651 15.9571 15.9571 k = 0.0625 0.0625-0.0000 ( 3159 PWs) bands (ev): -53.8383 -53.8383 -53.8380 -53.8380 -26.7380 -26.7380 -26.7351 -26.7351 -18.0804 -18.0804 -18.0566 -18.0566 -18.0487 -18.0487 -18.0455 -18.0455 0.0350 0.0350 2.1432 2.1432 2.9672 2.9672 8.9185 8.9185 8.9732 8.9732 9.8243 9.8243 10.4692 10.4692 10.5752 10.5752 11.3746 11.3746 11.7197 11.7197 12.2916 12.2916 13.3528 13.3528 13.6703 13.6703 13.7551 13.7551 14.4379 14.4379 14.7505 14.7505 15.6305 15.6305 15.8759 15.8759 k = 0.0547 0.0547-0.0000 ( 3155 PWs) bands (ev): -53.8383 -53.8383 -53.8381 -53.8381 -26.7377 -26.7377 -26.7347 -26.7347 -18.0803 -18.0803 -18.0562 -18.0562 -18.0473 -18.0473 -18.0441 -18.0441 0.0122 0.0122 2.1267 2.1267 2.9498 2.9498 8.9443 8.9443 8.9732 8.9732 9.9187 9.9187 10.5079 10.5079 10.6103 10.6103 11.3806 11.3806 11.7197 11.7197 12.2216 12.2216 13.3560 13.3560 13.6783 13.6783 13.7771 13.7771 14.4438 14.4438 14.8313 14.8313 15.5940 15.5940 15.8089 15.8089 k = 0.0469 0.0469-0.0000 ( 3155 PWs) bands (ev): -53.8384 -53.8384 -53.8381 -53.8381 -26.7374 -26.7374 -26.7345 -26.7345 -18.0802 -18.0802 -18.0560 -18.0560 -18.0461 -18.0461 -18.0429 -18.0429 -0.0076 -0.0076 2.1123 2.1123 2.9346 2.9346 8.9285 8.9285 9.0142 9.0142 10.0105 10.0105 10.5365 10.5365 10.6370 10.6370 11.3859 11.3859 11.7228 11.7228 12.1621 12.1621 13.3350 13.3350 13.6814 13.6814 13.8119 13.8119 14.4467 14.4467 14.9208 14.9208 15.5547 15.5547 15.7578 15.7578 k = 0.0391 0.0391-0.0000 ( 3161 PWs) bands (ev): -53.8384 -53.8384 -53.8382 -53.8382 -26.7372 -26.7372 -26.7343 -26.7343 -18.0801 -18.0801 -18.0558 -18.0558 -18.0451 -18.0451 -18.0419 -18.0419 -0.0244 -0.0244 2.1002 2.1002 2.9215 2.9215 8.9126 8.9126 9.0535 9.0535 10.0988 10.0988 10.5558 10.5558 10.6540 10.6540 11.3904 11.3904 11.7269 11.7269 12.1155 12.1155 13.2996 13.2996 13.6887 13.6887 13.8441 13.8441 14.4475 14.4475 15.0147 15.0147 15.5136 15.5136 15.7216 15.7216 k = 0.0312 0.0312-0.0000 ( 3157 PWs) bands (ev): -53.8385 -53.8385 -53.8382 -53.8382 -26.7371 -26.7371 -26.7340 -26.7340 -18.0801 -18.0801 -18.0555 -18.0555 -18.0443 -18.0443 -18.0410 -18.0410 -0.0382 -0.0382 2.0903 2.0903 2.9107 2.9107 8.8994 8.8994 9.0876 9.0876 10.1824 10.1824 10.5671 10.5671 10.6608 10.6608 11.3940 11.3940 11.7293 11.7293 12.0834 12.0834 13.2589 13.2589 13.6981 13.6981 13.8703 13.8703 14.4470 14.4470 15.1083 15.1083 15.4743 15.4743 15.6971 15.6971 k = 0.0234 0.0234-0.0000 ( 3161 PWs) bands (ev): -53.8385 -53.8385 -53.8383 -53.8383 -26.7370 -26.7370 -26.7338 -26.7338 -18.0801 -18.0801 -18.0554 -18.0554 -18.0437 -18.0437 -18.0403 -18.0403 -0.0489 -0.0489 2.0826 2.0826 2.9023 2.9023 8.8890 8.8890 9.1155 9.1155 10.2592 10.2592 10.5714 10.5714 10.6581 10.6581 11.3968 11.3968 11.7287 11.7287 12.0654 12.0654 13.2201 13.2201 13.7071 13.7071 13.8902 13.8902 14.4459 14.4459 15.1956 15.1956 15.4401 15.4401 15.6810 15.6810 k = 0.0156 0.0156-0.0000 ( 3147 PWs) bands (ev): -53.8385 -53.8385 -53.8383 -53.8383 -26.7368 -26.7368 -26.7336 -26.7336 -18.0800 -18.0800 -18.0551 -18.0551 -18.0432 -18.0432 -18.0398 -18.0398 -0.0566 -0.0566 2.0772 2.0772 2.8962 2.8962 8.8815 8.8815 9.1362 9.1362 10.3258 10.3258 10.5694 10.5694 10.6490 10.6490 11.3986 11.3986 11.7258 11.7258 12.0581 12.0581 13.1883 13.1883 13.7142 13.7142 13.9039 13.9039 14.4447 14.4447 15.2697 15.2697 15.4135 15.4135 15.6708 15.6708 k = 0.0078 0.0078-0.0000 ( 3151 PWs) bands (ev): -53.8385 -53.8385 -53.8383 -53.8383 -26.7368 -26.7368 -26.7336 -26.7336 -18.0800 -18.0800 -18.0551 -18.0551 -18.0429 -18.0429 -18.0395 -18.0395 -0.0612 -0.0612 2.0739 2.0739 2.8926 2.8926 8.8770 8.8770 9.1489 9.1489 10.3755 10.3755 10.5621 10.5621 10.6396 10.6396 11.3997 11.3997 11.7227 11.7227 12.0564 12.0564 13.1675 13.1675 13.7186 13.7186 13.9120 13.9120 14.4439 14.4439 15.3221 15.3221 15.3954 15.3954 15.6650 15.6650 k = 0.0000 0.0000 0.0000 ( 3151 PWs) bands (ev): -53.8385 -53.8385 -53.8383 -53.8383 -26.7367 -26.7367 -26.7336 -26.7336 -18.0800 -18.0800 -18.0551 -18.0551 -18.0428 -18.0428 -18.0394 -18.0394 -0.0628 -0.0628 2.0728 2.0728 2.8913 2.8913 8.8755 8.8755 9.1531 9.1531 10.3953 10.3953 10.5570 10.5570 10.6357 10.6357 11.4000 11.4000 11.7214 11.7214 12.0564 12.0564 13.1603 13.1603 13.7202 13.7202 13.9147 13.9147 14.4436 14.4436 15.3426 15.3426 15.3877 15.3877 15.6631 15.6631 k = 0.0000 0.0000 0.0000 ( 3151 PWs) bands (ev): -53.8385 -53.8385 -53.8383 -53.8383 -26.7367 -26.7367 -26.7336 -26.7336 -18.0800 -18.0800 -18.0551 -18.0551 -18.0428 -18.0428 -18.0394 -18.0394 -0.0628 -0.0628 2.0728 2.0728 2.8913 2.8913 8.8755 8.8755 9.1531 9.1531 10.3953 10.3953 10.5570 10.5570 10.6357 10.6357 11.4000 11.4000 11.7214 11.7214 12.0564 12.0564 13.1603 13.1603 13.7202 13.7202 13.9147 13.9147 14.4436 14.4436 15.3426 15.3426 15.3877 15.3877 15.6631 15.6631 k = 0.0000 0.0000 0.0111 ( 3143 PWs) bands (ev): -53.8385 -53.8385 -53.8383 -53.8383 -26.7367 -26.7367 -26.7335 -26.7335 -18.0799 -18.0799 -18.0551 -18.0551 -18.0428 -18.0428 -18.0394 -18.0394 -0.0615 -0.0615 2.0636 2.0636 2.9006 2.9006 8.8340 8.8340 9.1965 9.1965 10.3959 10.3959 10.5580 10.5580 10.6368 10.6368 11.3988 11.3988 11.7184 11.7184 12.0527 12.0527 13.1646 13.1646 13.7238 13.7238 13.9196 13.9196 14.4342 14.4342 15.3423 15.3423 15.3904 15.3904 15.6634 15.6634 k = 0.0000 0.0000 0.0223 ( 3151 PWs) bands (ev): -53.8385 -53.8385 -53.8383 -53.8383 -26.7368 -26.7368 -26.7336 -26.7336 -18.0799 -18.0799 -18.0553 -18.0553 -18.0428 -18.0428 -18.0394 -18.0394 -0.0577 -0.0577 2.0374 2.0374 2.9270 2.9270 8.7472 8.7472 9.2891 9.2891 10.3976 10.3976 10.5611 10.5611 10.6399 10.6399 11.3953 11.3953 11.7094 11.7094 12.0418 12.0418 13.1772 13.1772 13.7347 13.7347 13.9342 13.9342 14.4065 14.4065 15.3418 15.3418 15.3979 15.3979 15.6644 15.6644 k = 0.0000 0.0000 0.0334 ( 3163 PWs) bands (ev): -53.8385 -53.8385 -53.8383 -53.8383 -26.7368 -26.7368 -26.7337 -26.7337 -18.0797 -18.0797 -18.0556 -18.0556 -18.0428 -18.0428 -18.0395 -18.0395 -0.0514 -0.0514 1.9972 1.9972 2.9674 2.9674 8.6479 8.6479 9.3981 9.3981 10.4004 10.4004 10.5660 10.5660 10.6450 10.6450 11.3894 11.3894 11.6948 11.6948 12.0240 12.0240 13.1981 13.1981 13.7521 13.7521 13.9581 13.9581 14.3615 14.3615 15.3416 15.3416 15.4095 15.4095 15.6663 15.6663 k = 0.0000 0.0000 0.0445 ( 3163 PWs) bands (ev): -53.8385 -53.8385 -53.8383 -53.8383 -26.7367 -26.7367 -26.7338 -26.7338 -18.0794 -18.0794 -18.0558 -18.0558 -18.0428 -18.0428 -18.0396 -18.0396 -0.0426 -0.0426 1.9467 1.9467 3.0182 3.0182 8.5460 8.5460 9.5136 9.5136 10.4044 10.4044 10.5730 10.5730 10.6522 10.6522 11.3814 11.3814 11.6751 11.6751 12.0001 12.0001 13.2271 13.2271 13.7749 13.7749 13.9905 13.9905 14.3015 14.3015 15.3421 15.3421 15.4240 15.4240 15.6697 15.6697 k = 0.0000 0.0000 0.0557 ( 3163 PWs) bands (ev): -53.8385 -53.8385 -53.8383 -53.8383 -26.7367 -26.7367 -26.7338 -26.7338 -18.0791 -18.0791 -18.0562 -18.0562 -18.0427 -18.0427 -18.0396 -18.0396 -0.0315 -0.0315 1.8891 1.8891 3.0760 3.0760 8.4448 8.4448 9.6326 9.6326 10.4093 10.4093 10.5819 10.5819 10.6613 10.6613 11.3713 11.3713 11.6507 11.6507 11.9708 11.9708 13.2639 13.2639 13.8009 13.8009 14.0306 14.0306 14.2299 14.2299 15.3434 15.3434 15.4404 15.4404 15.6751 15.6751 k = 0.0000 0.0000 0.0668 ( 3163 PWs) bands (ev): -53.8385 -53.8385 -53.8383 -53.8383 -26.7367 -26.7367 -26.7339 -26.7339 -18.0787 -18.0787 -18.0566 -18.0566 -18.0427 -18.0427 -18.0396 -18.0396 -0.0181 -0.0181 1.8270 1.8270 3.1382 3.1382 8.3457 8.3457 9.7536 9.7536 10.4152 10.4152 10.5927 10.5927 10.6723 10.6723 11.3595 11.3595 11.6223 11.6223 11.9370 11.9370 13.3081 13.3081 13.8247 13.8247 14.0773 14.0773 14.1534 14.1534 15.3454 15.3454 15.4572 15.4572 15.6836 15.6836 k = 0.0000 0.0000 0.0779 ( 3171 PWs) bands (ev): -53.8385 -53.8385 -53.8383 -53.8383 -26.7366 -26.7366 -26.7340 -26.7340 -18.0783 -18.0783 -18.0572 -18.0572 -18.0426 -18.0426 -18.0397 -18.0397 -0.0026 -0.0026 1.7624 1.7624 3.2026 3.2026 8.2495 8.2495 9.8760 9.8760 10.4220 10.4220 10.6053 10.6053 10.6851 10.6851 11.3462 11.3462 11.5906 11.5906 11.8997 11.8997 13.3590 13.3590 13.8324 13.8324 14.0874 14.0874 14.1296 14.1296 15.3483 15.3483 15.4730 15.4730 15.6962 15.6962 k = 0.0000 0.0000 0.0891 ( 3167 PWs) bands (ev): -53.8385 -53.8385 -53.8383 -53.8383 -26.7365 -26.7365 -26.7341 -26.7341 -18.0778 -18.0778 -18.0577 -18.0577 -18.0425 -18.0425 -18.0398 -18.0398 0.0149 0.0149 1.6967 1.6967 3.2677 3.2677 8.1571 8.1571 9.9991 9.9991 10.4296 10.4296 10.6196 10.6196 10.6995 10.6995 11.3316 11.3316 11.5563 11.5563 11.8597 11.8597 13.4159 13.4159 13.7974 13.7974 14.0604 14.0604 14.1864 14.1864 15.3518 15.3518 15.4861 15.4861 15.7141 15.7141 k = 0.0000 0.0000 0.1002 ( 3167 PWs) bands (ev): -53.8385 -53.8385 -53.8383 -53.8383 -26.7365 -26.7365 -26.7342 -26.7342 -18.0772 -18.0772 -18.0583 -18.0583 -18.0425 -18.0425 -18.0399 -18.0399 0.0341 0.0341 1.6311 1.6311 3.3322 3.3322 8.0690 8.0690 10.1224 10.1224 10.4377 10.4377 10.6357 10.6357 10.7155 10.7155 11.3161 11.3161 11.5200 11.5200 11.8180 11.8180 13.4767 13.4767 13.7165 13.7165 14.0782 14.0782 14.2466 14.2466 15.3558 15.3558 15.4956 15.4956 15.7376 15.7376 k = 0.0000 0.0000 0.1113 ( 3159 PWs) bands (ev): -53.8385 -53.8385 -53.8383 -53.8383 -26.7363 -26.7363 -26.7342 -26.7342 -18.0765 -18.0765 -18.0589 -18.0589 -18.0423 -18.0423 -18.0399 -18.0399 0.0548 0.0548 1.5667 1.5667 3.3950 3.3950 7.9857 7.9857 10.2454 10.2454 10.4464 10.4464 10.6532 10.6532 10.7329 10.7329 11.3000 11.3000 11.4825 11.4825 11.7753 11.7753 13.5286 13.5286 13.6243 13.6243 14.1195 14.1195 14.3092 14.3092 15.3604 15.3604 15.5012 15.5012 15.7279 15.7279 k = 0.0000 0.0000 0.1225 ( 3159 PWs) bands (ev): -53.8385 -53.8385 -53.8383 -53.8383 -26.7362 -26.7362 -26.7343 -26.7343 -18.0758 -18.0758 -18.0596 -18.0596 -18.0422 -18.0422 -18.0400 -18.0400 0.0766 0.0766 1.5041 1.5041 3.4551 3.4551 7.9078 7.9078 10.3674 10.3674 10.4553 10.4553 10.6721 10.6721 10.7513 10.7513 11.2837 11.2837 11.4443 11.4443 11.7325 11.7325 13.4693 13.4693 13.6366 13.6366 14.1713 14.1713 14.3730 14.3730 15.3653 15.3653 15.5030 15.5030 15.6942 15.6942 k = 0.0000 0.0000 0.1336 ( 3167 PWs) bands (ev): -53.8385 -53.8385 -53.8383 -53.8383 -26.7362 -26.7362 -26.7344 -26.7344 -18.0752 -18.0752 -18.0604 -18.0604 -18.0421 -18.0421 -18.0401 -18.0401 0.0992 0.0992 1.4444 1.4444 3.5116 3.5116 7.8359 7.8359 10.4643 10.4643 10.4876 10.4876 10.6922 10.6922 10.7705 10.7705 11.2676 11.2676 11.4062 11.4062 11.6904 11.6904 13.3515 13.3515 13.7056 13.7056 14.2284 14.2284 14.4368 14.4368 15.3705 15.3705 15.5017 15.5017 15.6597 15.6597 k = 0.0000 0.0000 0.1447 ( 3175 PWs) bands (ev): -53.8385 -53.8385 -53.8384 -53.8384 -26.7362 -26.7362 -26.7345 -26.7345 -18.0745 -18.0745 -18.0611 -18.0611 -18.0421 -18.0421 -18.0402 -18.0402 0.1220 0.1220 1.3882 1.3882 3.5637 3.5637 7.7706 7.7706 10.4732 10.4732 10.6048 10.6048 10.7130 10.7130 10.7901 10.7901 11.2521 11.2521 11.3688 11.3688 11.6497 11.6497 13.2290 13.2290 13.7798 13.7798 14.2884 14.2884 14.4995 14.4995 15.3759 15.3759 15.4979 15.4979 15.6252 15.6252 k = 0.0000 0.0000 0.1559 ( 3160 PWs) bands (ev): -53.8385 -53.8385 -53.8383 -53.8383 -26.7359 -26.7359 -26.7346 -26.7346 -18.0735 -18.0735 -18.0619 -18.0619 -18.0419 -18.0419 -18.0403 -18.0403 0.1443 0.1443 1.3365 1.3365 3.6108 3.6108 7.7125 7.7125 10.4816 10.4816 10.7173 10.7173 10.7345 10.7345 10.8096 10.8096 11.2376 11.2376 11.3329 11.3329 11.6113 11.6113 13.1084 13.1084 13.8538 13.8538 14.3497 14.3497 14.5597 14.5597 15.3815 15.3815 15.4921 15.4921 15.5914 15.5914 k = 0.0000 0.0000 0.1670 ( 3176 PWs) bands (ev): -53.8385 -53.8385 -53.8384 -53.8384 -26.7360 -26.7360 -26.7348 -26.7348 -18.0728 -18.0728 -18.0628 -18.0628 -18.0419 -18.0419 -18.0405 -18.0405 0.1656 0.1656 1.2902 1.2902 3.6520 3.6520 7.6620 7.6620 10.4894 10.4894 10.7553 10.7553 10.8234 10.8234 10.8284 10.8284 11.2244 11.2244 11.2997 11.2997 11.5760 11.5760 12.9934 12.9934 13.9242 13.9242 14.4109 14.4109 14.6157 14.6157 15.3870 15.3870 15.4848 15.4848 15.5592 15.5592 k = 0.0000 0.0000 0.1781 ( 3184 PWs) bands (ev): -53.8385 -53.8385 -53.8384 -53.8384 -26.7360 -26.7360 -26.7349 -26.7349 -18.0721 -18.0721 -18.0636 -18.0636 -18.0419 -18.0419 -18.0406 -18.0406 0.1848 0.1848 1.2503 1.2503 3.6867 3.6867 7.6199 7.6199 10.4963 10.4963 10.7755 10.7755 10.8457 10.8457 10.9191 10.9191 11.2131 11.2131 11.2704 11.2704 11.5449 11.5449 12.8882 12.8882 13.9880 13.9880 14.4700 14.4700 14.6658 14.6658 15.3924 15.3924 15.4765 15.4765 15.5299 15.5299 k = 0.0000 0.0000 0.1893 ( 3176 PWs) bands (ev): -53.8385 -53.8385 -53.8384 -53.8384 -26.7359 -26.7359 -26.7349 -26.7349 -18.0713 -18.0713 -18.0642 -18.0642 -18.0418 -18.0418 -18.0406 -18.0406 0.2012 0.2012 1.2177 1.2177 3.7143 3.7143 7.5866 7.5866 10.5020 10.5020 10.7935 10.7935 10.8605 10.8605 11.0002 11.0002 11.2039 11.2039 11.2469 11.2469 11.5190 11.5190 12.7971 12.7971 14.0421 14.0421 14.5243 14.5243 14.7081 14.7081 15.3975 15.3975 15.4680 15.4680 15.5047 15.5047 k = 0.0000 0.0000 0.2004 ( 3172 PWs) bands (ev): -53.8385 -53.8385 -53.8384 -53.8384 -26.7358 -26.7358 -26.7349 -26.7349 -18.0706 -18.0706 -18.0649 -18.0649 -18.0418 -18.0418 -18.0407 -18.0407 0.2137 0.2137 1.1935 1.1935 3.7344 3.7344 7.5625 7.5625 10.5062 10.5062 10.8082 10.8082 10.8721 10.8721 11.0607 11.0607 11.1971 11.1971 11.2318 11.2318 11.4995 11.4995 12.7257 12.7257 14.0833 14.0833 14.5693 14.5693 14.7404 14.7404 15.4021 15.4021 15.4602 15.4602 15.4851 15.4851 k = 0.0000 0.0000 0.2115 ( 3172 PWs) bands (ev): -53.8385 -53.8385 -53.8384 -53.8384 -26.7358 -26.7358 -26.7349 -26.7349 -18.0701 -18.0701 -18.0654 -18.0654 -18.0417 -18.0417 -18.0407 -18.0407 0.2216 0.2216 1.1786 1.1786 3.7466 3.7466 7.5479 7.5479 10.5088 10.5088 10.8179 10.8179 10.8795 10.8795 11.0956 11.0956 11.1930 11.1930 11.2263 11.2263 11.4873 11.4873 12.6797 12.6797 14.1091 14.1091 14.5999 14.5999 14.7607 14.7607 15.4056 15.4056 15.4544 15.4544 15.4724 15.4724 k = 0.0000 0.0000 0.2227 ( 3176 PWs) bands (ev): -53.8385 -53.8385 -53.8384 -53.8384 -26.7358 -26.7358 -26.7350 -26.7350 -18.0699 -18.0699 -18.0657 -18.0657 -18.0417 -18.0417 -18.0407 -18.0407 0.2243 0.2243 1.1736 1.1736 3.7507 3.7507 7.5430 7.5430 10.5097 10.5097 10.8213 10.8213 10.8820 10.8820 11.1062 11.1062 11.1916 11.1916 11.2259 11.2259 11.4831 11.4831 12.6637 12.6637 14.1179 14.1179 14.6108 14.6108 14.7677 14.7677 15.4069 15.4069 15.4522 15.4522 15.4680 15.4680 k = 0.0000 0.0000 0.2227 ( 3176 PWs) bands (ev): -53.8385 -53.8385 -53.8384 -53.8384 -26.7358 -26.7358 -26.7350 -26.7350 -18.0699 -18.0699 -18.0657 -18.0657 -18.0417 -18.0417 -18.0407 -18.0407 0.2243 0.2243 1.1736 1.1736 3.7507 3.7507 7.5430 7.5430 10.5097 10.5097 10.8213 10.8213 10.8820 10.8820 11.1062 11.1062 11.1916 11.1916 11.2259 11.2259 11.4831 11.4831 12.6637 12.6637 14.1179 14.1179 14.6108 14.6108 14.7677 14.7677 15.4069 15.4069 15.4522 15.4522 15.4680 15.4680 k = 0.0000 0.0111 0.2227 ( 3176 PWs) bands (ev): -53.8385 -53.8385 -53.8384 -53.8384 -26.7358 -26.7358 -26.7350 -26.7350 -18.0699 -18.0699 -18.0657 -18.0657 -18.0418 -18.0418 -18.0408 -18.0408 0.2257 0.2257 1.1751 1.1751 3.7512 3.7512 7.5443 7.5443 10.4834 10.4834 10.8307 10.8307 10.8892 10.8892 11.1015 11.1015 11.1681 11.1681 11.2457 11.2457 11.4819 11.4819 12.6753 12.6753 14.1147 14.1147 14.6046 14.6046 14.7575 14.7575 15.3862 15.3862 15.4322 15.4322 15.5175 15.5175 k = 0.0000 0.0222 0.2227 ( 3176 PWs) bands (ev): -53.8385 -53.8385 -53.8384 -53.8384 -26.7358 -26.7358 -26.7351 -26.7351 -18.0700 -18.0700 -18.0657 -18.0657 -18.0421 -18.0421 -18.0411 -18.0411 0.2300 0.2300 1.1798 1.1798 3.7527 3.7527 7.5483 7.5483 10.4163 10.4163 10.8456 10.8456 10.9109 10.9109 11.0733 11.0733 11.1489 11.1489 11.2705 11.2705 11.4792 11.4792 12.7086 12.7086 14.1053 14.1053 14.5859 14.5859 14.7300 14.7300 15.3280 15.3280 15.4564 15.4564 15.5759 15.5759 k = 0.0000 0.0333 0.2227 ( 3178 PWs) bands (ev): -53.8384 -53.8384 -53.8384 -53.8384 -26.7360 -26.7360 -26.7352 -26.7352 -18.0701 -18.0701 -18.0658 -18.0658 -18.0426 -18.0426 -18.0416 -18.0416 0.2371 0.2371 1.1877 1.1877 3.7550 3.7550 7.5550 7.5550 10.3252 10.3252 10.8551 10.8551 10.9300 10.9300 11.0243 11.0243 11.1534 11.1534 11.2912 11.2912 11.4767 11.4767 12.7597 12.7597 14.0899 14.0899 14.5541 14.5541 14.6923 14.6923 15.2650 15.2650 15.4935 15.4935 15.6365 15.6365 k = 0.0000 0.0444 0.2227 ( 3176 PWs) bands (ev): -53.8384 -53.8384 -53.8384 -53.8384 -26.7361 -26.7361 -26.7353 -26.7353 -18.0702 -18.0702 -18.0659 -18.0659 -18.0432 -18.0432 -18.0422 -18.0422 0.2471 0.2471 1.1987 1.1987 3.7583 3.7583 7.5643 7.5643 10.2193 10.2193 10.8533 10.8533 10.8998 10.8998 11.0125 11.0125 11.1696 11.1696 11.3085 11.3085 11.4761 11.4761 12.8235 12.8235 14.0688 14.0688 14.5096 14.5096 14.6510 14.6510 15.2007 15.2007 15.5331 15.5331 15.7018 15.7018 k = 0.0000 0.0556 0.2227 ( 3178 PWs) bands (ev): -53.8384 -53.8384 -53.8383 -53.8383 -26.7363 -26.7363 -26.7355 -26.7355 -18.0704 -18.0704 -18.0661 -18.0661 -18.0440 -18.0440 -18.0429 -18.0429 0.2599 0.2599 1.2128 1.2128 3.7624 3.7624 7.5761 7.5761 10.1030 10.1030 10.7854 10.7854 10.8868 10.8868 11.0298 11.0298 11.1921 11.1921 11.3234 11.3234 11.4785 11.4785 12.8949 12.8949 14.0425 14.0425 14.4554 14.4554 14.6093 14.6093 15.1362 15.1362 15.5698 15.5698 15.7731 15.7731 k = 0.0000 0.0667 0.2227 ( 3178 PWs) bands (ev): -53.8383 -53.8383 -53.8383 -53.8383 -26.7366 -26.7366 -26.7357 -26.7357 -18.0708 -18.0708 -18.0663 -18.0663 -18.0449 -18.0449 -18.0438 -18.0438 0.2755 0.2755 1.2300 1.2300 3.7673 3.7673 7.5904 7.5904 9.9789 9.9789 10.6798 10.6798 10.8962 10.8962 11.0468 11.0468 11.2174 11.2174 11.3370 11.3370 11.4842 11.4842 12.9692 12.9692 14.0112 14.0112 14.3962 14.3962 14.5677 14.5677 15.0720 15.0720 15.6017 15.6017 15.8498 15.8498 k = 0.0000 0.0778 0.2227 ( 3182 PWs) bands (ev): -53.8383 -53.8383 -53.8383 -53.8383 -26.7368 -26.7368 -26.7360 -26.7360 -18.0712 -18.0712 -18.0668 -18.0668 -18.0459 -18.0459 -18.0447 -18.0447 0.2939 0.2939 1.2503 1.2503 3.7730 3.7730 7.6072 7.6072 9.8484 9.8484 10.5629 10.5629 10.9094 10.9094 11.0603 11.0603 11.2421 11.2421 11.3498 11.3498 11.4930 11.4930 13.0421 13.0421 13.9752 13.9752 14.3372 14.3372 14.5260 14.5260 15.0087 15.0087 15.6290 15.6290 15.9253 15.9253 k = 0.0000 0.0889 0.2227 ( 3178 PWs) bands (ev): -53.8382 -53.8382 -53.8382 -53.8382 -26.7372 -26.7372 -26.7362 -26.7362 -18.0717 -18.0717 -18.0673 -18.0673 -18.0470 -18.0470 -18.0457 -18.0457 0.3151 0.3151 1.2737 1.2737 3.7792 3.7792 7.6262 7.6262 9.7127 9.7127 10.4396 10.4396 10.9251 10.9251 11.0705 11.0705 11.2641 11.2641 11.3624 11.3624 11.5045 11.5045 13.1095 13.1095 13.9343 13.9343 14.2835 14.2835 14.4843 14.4843 14.9466 14.9466 15.6525 15.6525 15.9685 15.9685 k = 0.0000 0.1000 0.2227 ( 3178 PWs) bands (ev): -53.8381 -53.8381 -53.8381 -53.8381 -26.7375 -26.7375 -26.7366 -26.7366 -18.0724 -18.0724 -18.0680 -18.0680 -18.0480 -18.0480 -18.0466 -18.0466 0.3391 0.3391 1.3002 1.3002 3.7860 3.7860 7.6474 7.6474 9.5730 9.5730 10.3121 10.3121 10.9430 10.9430 11.0779 11.0779 11.2826 11.2826 11.3747 11.3747 11.5183 11.5183 13.1674 13.1674 13.8882 13.8882 14.2398 14.2398 14.4433 14.4433 14.8861 14.8861 15.6727 15.6727 16.0005 16.0005 k = 0.0000 0.1111 0.2227 ( 3180 PWs) bands (ev): -53.8381 -53.8381 -53.8381 -53.8381 -26.7378 -26.7378 -26.7369 -26.7369 -18.0734 -18.0734 -18.0691 -18.0691 -18.0490 -18.0490 -18.0475 -18.0475 0.3658 0.3658 1.3298 1.3298 3.7931 3.7931 7.6704 7.6704 9.4300 9.4300 10.1821 10.1821 10.9628 10.9628 11.0826 11.0826 11.2976 11.2976 11.3864 11.3864 11.5337 11.5337 13.2120 13.2120 13.8365 13.8365 14.2105 14.2105 14.4042 14.4042 14.8276 14.8276 15.6903 15.6903 16.0318 16.0318 k = 0.0000 0.1222 0.2227 ( 3180 PWs) bands (ev): -53.8380 -53.8380 -53.8380 -53.8380 -26.7382 -26.7382 -26.7374 -26.7374 -18.0747 -18.0747 -18.0703 -18.0703 -18.0499 -18.0499 -18.0483 -18.0483 0.3952 0.3952 1.3624 1.3624 3.8004 3.8004 7.6950 7.6950 9.2848 9.2848 10.0509 10.0509 10.9846 10.9846 11.0840 11.0840 11.3101 11.3101 11.3972 11.3972 11.5503 11.5503 13.2405 13.2405 13.7794 13.7794 14.1977 14.1977 14.3685 14.3685 14.7713 14.7713 15.7055 15.7055 16.0631 16.0631 k = 0.0000 0.1333 0.2227 ( 3182 PWs) bands (ev): -53.8379 -53.8379 -53.8379 -53.8379 -26.7387 -26.7387 -26.7378 -26.7378 -18.0762 -18.0762 -18.0719 -18.0719 -18.0506 -18.0506 -18.0490 -18.0490 0.4273 0.4273 1.3980 1.3980 3.8079 3.8079 7.7207 7.7207 9.1384 9.1384 9.9194 9.9194 11.0083 11.0083 11.0817 11.0817 11.3207 11.3207 11.4068 11.4068 11.5673 11.5673 13.2517 13.2517 13.7182 13.7182 14.1997 14.1997 14.3398 14.3398 14.7174 14.7174 15.7185 15.7185 16.0945 16.0945 k = 0.0000 0.1444 0.2227 ( 3188 PWs) bands (ev): -53.8378 -53.8378 -53.8378 -53.8378 -26.7392 -26.7392 -26.7383 -26.7383 -18.0780 -18.0780 -18.0739 -18.0739 -18.0512 -18.0512 -18.0495 -18.0495 0.4621 0.4621 1.4367 1.4367 3.8152 3.8152 7.7466 7.7466 8.9919 8.9919 9.7885 9.7885 11.0337 11.0337 11.0749 11.0749 11.3301 11.3301 11.4153 11.4153 11.5843 11.5843 13.2461 13.2461 13.6545 13.6545 14.2081 14.2081 14.3255 14.3255 14.6663 14.6663 15.7296 15.7296 16.1259 16.1259 k = 0.0000 0.1556 0.2227 ( 3192 PWs) bands (ev): -53.8377 -53.8377 -53.8377 -53.8377 -26.7397 -26.7397 -26.7388 -26.7388 -18.0802 -18.0802 -18.0761 -18.0761 -18.0517 -18.0517 -18.0498 -18.0498 0.4995 0.4995 1.4783 1.4783 3.8222 3.8222 7.7717 7.7717 8.8469 8.8469 9.6589 9.6589 11.0578 11.0578 11.0658 11.0658 11.3386 11.3386 11.4231 11.4231 11.6007 11.6007 13.2260 13.2260 13.5900 13.5900 14.2088 14.2088 14.3373 14.3373 14.6182 14.6182 15.7390 15.7390 16.1574 16.1574 k = 0.0000 0.1667 0.2227 ( 3192 PWs) bands (ev): -53.8376 -53.8376 -53.8376 -53.8376 -26.7402 -26.7402 -26.7393 -26.7393 -18.0826 -18.0826 -18.0785 -18.0785 -18.0519 -18.0519 -18.0499 -18.0499 0.5396 0.5396 1.5228 1.5228 3.8287 3.8287 7.7938 7.7938 8.7060 8.7060 9.5314 9.5314 11.0435 11.0435 11.0906 11.0906 11.3462 11.3462 11.4308 11.4308 11.6157 11.6157 13.1942 13.1942 13.5262 13.5262 14.1992 14.1992 14.3745 14.3745 14.5739 14.5739 15.7469 15.7469 16.1887 16.1887 k = 0.0000 0.1778 0.2227 ( 3192 PWs) bands (ev): -53.8375 -53.8375 -53.8375 -53.8375 -26.7407 -26.7407 -26.7398 -26.7398 -18.0852 -18.0852 -18.0813 -18.0813 -18.0519 -18.0519 -18.0499 -18.0499 0.5822 0.5822 1.5703 1.5703 3.8344 3.8344 7.8091 7.8091 8.5731 8.5731 9.4065 9.4065 11.0187 11.0187 11.1208 11.1208 11.3529 11.3529 11.4392 11.4392 11.6287 11.6287 13.1536 13.1536 13.4640 13.4640 14.1872 14.1872 14.4243 14.4243 14.5356 14.5356 15.7535 15.7535 16.2200 16.2200 k = 0.0000 0.1889 0.2227 ( 3190 PWs) bands (ev): -53.8374 -53.8374 -53.8374 -53.8374 -26.7413 -26.7413 -26.7404 -26.7404 -18.0881 -18.0881 -18.0842 -18.0842 -18.0519 -18.0519 -18.0498 -18.0498 0.6273 0.6273 1.6207 1.6207 3.8390 3.8390 7.8109 7.8109 8.4551 8.4551 9.2848 9.2848 10.9869 10.9869 11.1526 11.1526 11.3584 11.3584 11.4486 11.4486 11.6391 11.6391 13.1068 13.1068 13.4043 13.4043 14.1783 14.1783 14.4595 14.4595 14.5235 14.5235 15.7593 15.7593 16.2509 16.2509 k = 0.0000 0.2000 0.2227 ( 3196 PWs) bands (ev): -53.8373 -53.8373 -53.8373 -53.8373 -26.7418 -26.7418 -26.7410 -26.7410 -18.0912 -18.0912 -18.0874 -18.0874 -18.0517 -18.0517 -18.0496 -18.0496 0.6749 0.6749 1.6740 1.6740 3.8424 3.8424 7.7886 7.7886 8.3630 8.3630 9.1668 9.1668 10.9481 10.9481 11.1856 11.1856 11.3626 11.3626 11.4595 11.4595 11.6462 11.6462 13.0557 13.0557 13.3476 13.3476 14.1747 14.1747 14.4411 14.4411 14.5731 14.5731 15.7645 15.7645 16.2810 16.2810 k = 0.0000 0.2111 0.2227 ( 3188 PWs) bands (ev): -53.8372 -53.8372 -53.8371 -53.8371 -26.7424 -26.7424 -26.7415 -26.7415 -18.0943 -18.0943 -18.0907 -18.0907 -18.0514 -18.0514 -18.0493 -18.0493 0.7249 0.7249 1.7301 1.7301 3.8442 3.8442 7.7316 7.7316 8.3074 8.3074 9.0530 9.0530 10.9026 10.9026 11.2197 11.2197 11.3656 11.3656 11.4719 11.4719 11.6495 11.6495 13.0021 13.0021 13.2940 13.2940 14.1774 14.1774 14.4110 14.4110 14.6404 14.6404 15.7698 15.7698 16.3084 16.3084 k = 0.0000 0.2222 0.2227 ( 3194 PWs) bands (ev): -53.8371 -53.8371 -53.8370 -53.8370 -26.7431 -26.7431 -26.7421 -26.7421 -18.0977 -18.0977 -18.0941 -18.0941 -18.0510 -18.0510 -18.0489 -18.0489 0.7773 0.7773 1.7890 1.7890 3.8441 3.8441 7.6392 7.6392 8.2891 8.2891 8.9440 8.9440 10.8507 10.8507 11.2544 11.2544 11.3675 11.3675 11.4855 11.4855 11.6484 11.6484 12.9476 12.9476 13.2437 13.2437 14.1868 14.1868 14.3819 14.3819 14.7118 14.7118 15.7756 15.7756 16.3191 16.3191 k = 0.0000 0.2333 0.2227 ( 3186 PWs) bands (ev): -53.8369 -53.8369 -53.8369 -53.8369 -26.7436 -26.7436 -26.7427 -26.7427 -18.1011 -18.1011 -18.0976 -18.0976 -18.0505 -18.0505 -18.0485 -18.0485 0.8321 0.8321 1.8507 1.8507 3.8418 3.8418 7.5211 7.5211 8.2984 8.2984 8.8402 8.8402 10.7929 10.7929 11.2893 11.2893 11.3687 11.3687 11.5000 11.5000 11.6425 11.6425 12.8932 12.8932 13.1965 13.1965 14.2029 14.2029 14.3556 14.3556 14.7851 14.7851 15.7825 15.7825 16.2976 16.2976 k = 0.0000 0.2444 0.2227 ( 3186 PWs) bands (ev): -53.8368 -53.8368 -53.8368 -53.8368 -26.7442 -26.7442 -26.7433 -26.7433 -18.1045 -18.1045 -18.1011 -18.1011 -18.0501 -18.0501 -18.0480 -18.0480 0.8891 0.8891 1.9151 1.9151 3.8370 3.8370 7.3878 7.3878 8.3250 8.3250 8.7422 8.7422 10.7299 10.7299 11.3232 11.3232 11.3703 11.3703 11.5148 11.5148 11.6318 11.6318 12.8400 12.8400 13.1522 13.1522 14.2247 14.2247 14.3331 14.3331 14.8595 14.8595 15.7910 15.7910 16.2621 16.2621 k = 0.0000 0.2556 0.2227 ( 3182 PWs) bands (ev): -53.8367 -53.8367 -53.8366 -53.8366 -26.7447 -26.7447 -26.7439 -26.7439 -18.1080 -18.1080 -18.1047 -18.1047 -18.0495 -18.0495 -18.0475 -18.0475 0.9484 0.9484 1.9822 1.9822 3.8293 3.8293 7.2460 7.2460 8.3619 8.3619 8.6505 8.6505 10.6623 10.6623 11.3503 11.3503 11.3777 11.3777 11.5288 11.5288 11.6172 11.6172 12.7892 12.7892 13.1106 13.1106 14.2485 14.2485 14.3183 14.3183 14.9348 14.9348 15.8017 15.8017 16.2195 16.2195 k = 0.0000 0.2667 0.2227 ( 3192 PWs) bands (ev): -53.8366 -53.8366 -53.8366 -53.8366 -26.7454 -26.7454 -26.7446 -26.7446 -18.1116 -18.1116 -18.1084 -18.1084 -18.0490 -18.0490 -18.0471 -18.0471 1.0099 1.0099 2.0519 2.0519 3.8185 3.8185 7.0995 7.0995 8.4049 8.4049 8.5658 8.5658 10.5909 10.5909 11.3582 11.3582 11.4030 11.4030 11.5385 11.5385 11.6019 11.6019 12.7414 12.7414 13.0711 13.0711 14.2593 14.2593 14.3252 14.3252 15.0110 15.0110 15.8150 15.8150 16.1718 16.1718 k = 0.0000 0.2778 0.2227 ( 3188 PWs) bands (ev): -53.8365 -53.8365 -53.8364 -53.8364 -26.7459 -26.7459 -26.7451 -26.7451 -18.1151 -18.1151 -18.1120 -18.1120 -18.0484 -18.0484 -18.0466 -18.0466 1.0734 1.0734 2.1243 2.1243 3.8043 3.8043 6.9505 6.9505 8.4471 8.4471 8.4928 8.4928 10.5166 10.5166 11.3577 11.3577 11.4347 11.4347 11.5339 11.5339 11.5959 11.5959 12.6977 12.6977 13.0334 13.0334 14.2505 14.2505 14.3603 14.3603 15.0880 15.0880 15.8312 15.8312 16.1206 16.1206 k = 0.0000 0.2889 0.2227 ( 3188 PWs) bands (ev): -53.8363 -53.8363 -53.8363 -53.8363 -26.7465 -26.7465 -26.7457 -26.7457 -18.1185 -18.1185 -18.1155 -18.1155 -18.0479 -18.0479 -18.0460 -18.0460 1.1390 1.1390 2.1991 2.1991 3.7865 3.7865 6.8004 6.8004 8.4110 8.4110 8.5083 8.5083 10.4402 10.4402 11.3551 11.3551 11.4656 11.4656 11.5105 11.5105 11.6046 11.6046 12.6588 12.6588 12.9969 12.9969 14.2355 14.2355 14.4090 14.4090 15.1661 15.1661 15.8505 15.8505 16.0673 16.0673 k = 0.0000 0.3000 0.2227 ( 3180 PWs) bands (ev): -53.8362 -53.8362 -53.8362 -53.8362 -26.7470 -26.7470 -26.7463 -26.7463 -18.1219 -18.1219 -18.1190 -18.1190 -18.0472 -18.0472 -18.0455 -18.0455 1.2066 1.2066 2.2764 2.2764 3.7649 3.7649 6.6498 6.6498 8.3490 8.3490 8.5588 8.5588 10.3628 10.3628 11.3507 11.3507 11.4745 11.4745 11.4964 11.4964 11.6201 11.6201 12.6255 12.6255 12.9613 12.9613 14.2191 14.2191 14.4656 14.4656 15.2453 15.2453 15.8727 15.8727 16.0138 16.0138 k = 0.0000 0.3111 0.2227 ( 3176 PWs) bands (ev): -53.8361 -53.8361 -53.8361 -53.8361 -26.7475 -26.7475 -26.7469 -26.7469 -18.1252 -18.1252 -18.1225 -18.1225 -18.0466 -18.0466 -18.0449 -18.0449 1.2760 1.2760 2.3560 2.3560 3.7393 3.7393 6.4994 6.4994 8.2935 8.2935 8.6109 8.6109 10.2852 10.2852 11.3432 11.3432 11.4373 11.4373 11.5212 11.5212 11.6380 11.6380 12.5984 12.5984 12.9265 12.9265 14.2017 14.2017 14.5286 14.5286 15.3254 15.3254 15.8953 15.8953 15.9641 15.9641 k = 0.0000 0.3222 0.2227 ( 3182 PWs) bands (ev): -53.8360 -53.8360 -53.8360 -53.8360 -26.7481 -26.7481 -26.7475 -26.7475 -18.1285 -18.1285 -18.1259 -18.1259 -18.0460 -18.0460 -18.0444 -18.0444 1.3473 1.3473 2.4378 2.4378 3.7097 3.7097 6.3496 6.3496 8.2458 8.2458 8.6628 8.6628 10.2088 10.2088 11.3278 11.3278 11.4018 11.4018 11.5427 11.5427 11.6573 11.6573 12.5779 12.5779 12.8923 12.8923 14.1831 14.1831 14.5970 14.5970 15.4060 15.4060 15.8930 15.8930 15.9454 15.9454 k = 0.0000 0.3333 0.2227 ( 3190 PWs) bands (ev): -53.8359 -53.8359 -53.8359 -53.8359 -26.7487 -26.7487 -26.7481 -26.7481 -18.1317 -18.1317 -18.1292 -18.1292 -18.0454 -18.0454 -18.0440 -18.0440 1.4203 1.4203 2.5217 2.5217 3.6761 3.6761 6.2006 6.2006 8.2062 8.2062 8.7130 8.7130 10.1349 10.1349 11.2959 11.2959 11.3786 11.3786 11.5595 11.5595 11.6776 11.6776 12.5640 12.5640 12.8593 12.8593 14.1625 14.1625 14.6703 14.6703 15.4861 15.4861 15.8535 15.8535 15.9723 15.9723 k = 0.0000 0.3444 0.2227 ( 3190 PWs) bands (ev): -53.8358 -53.8358 -53.8358 -53.8358 -26.7492 -26.7492 -26.7486 -26.7486 -18.1347 -18.1347 -18.1324 -18.1324 -18.0449 -18.0449 -18.0435 -18.0435 1.4949 1.4949 2.6073 2.6073 3.6388 3.6388 6.0526 6.0526 8.1747 8.1747 8.7601 8.7601 10.0653 10.0653 11.2481 11.2481 11.3676 11.3676 11.5710 11.5710 11.6989 11.6989 12.5556 12.5556 12.8288 12.8288 14.1392 14.1392 14.7477 14.7477 15.5627 15.5627 15.8161 15.8161 16.0092 16.0092 k = 0.0000 0.3556 0.2227 ( 3194 PWs) bands (ev): -53.8357 -53.8357 -53.8357 -53.8357 -26.7497 -26.7497 -26.7492 -26.7492 -18.1376 -18.1376 -18.1354 -18.1354 -18.0443 -18.0443 -18.0431 -18.0431 1.5711 1.5711 2.6942 2.6942 3.5981 3.5981 5.9059 5.9059 8.1513 8.1513 8.8022 8.8022 10.0018 10.0018 11.1918 11.1918 11.3623 11.3623 11.5772 11.5772 11.7211 11.7211 12.5506 12.5506 12.8030 12.8030 14.1124 14.1124 14.8286 14.8286 15.6279 15.6279 15.7935 15.7935 16.0519 16.0519 k = 0.0000 0.3667 0.2227 ( 3190 PWs) bands (ev): -53.8356 -53.8356 -53.8356 -53.8356 -26.7501 -26.7501 -26.7496 -26.7496 -18.1403 -18.1403 -18.1382 -18.1382 -18.0438 -18.0438 -18.0426 -18.0426 1.6486 1.6486 2.7817 2.7817 3.5550 3.5550 5.7605 5.7605 8.1360 8.1360 8.8372 8.8372 9.9470 9.9470 11.1306 11.1306 11.3594 11.3594 11.5781 11.5781 11.7443 11.7443 12.5450 12.5450 12.7858 12.7858 14.0814 14.0814 14.9126 14.9126 15.6626 15.6626 15.8041 15.8041 16.1010 16.1010 k = 0.0000 0.3778 0.2227 ( 3190 PWs) bands (ev): -53.8355 -53.8355 -53.8355 -53.8355 -26.7505 -26.7505 -26.7500 -26.7500 -18.1429 -18.1429 -18.1409 -18.1409 -18.0433 -18.0433 -18.0421 -18.0421 1.7275 1.7275 2.8683 2.8683 3.5109 3.5109 5.6166 5.6166 8.1286 8.1286 8.8627 8.8627 9.9035 9.9035 11.0661 11.0661 11.3581 11.3581 11.5744 11.5744 11.7685 11.7685 12.5337 12.5337 12.7819 12.7819 14.0455 14.0455 14.9989 14.9989 15.6643 15.6643 15.8484 15.8484 16.1585 16.1585 k = 0.0000 0.3889 0.2227 ( 3198 PWs) bands (ev): -53.8355 -53.8355 -53.8354 -53.8354 -26.7510 -26.7510 -26.7505 -26.7505 -18.1453 -18.1453 -18.1435 -18.1435 -18.0429 -18.0429 -18.0418 -18.0418 1.8076 1.8076 2.9512 2.9512 3.4689 3.4689 5.4743 5.4743 8.1288 8.1288 8.8763 8.8763 9.8740 9.8740 10.9989 10.9989 11.3580 11.3580 11.5668 11.5668 11.7938 11.7938 12.5135 12.5135 12.7938 12.7938 14.0044 14.0044 15.0868 15.0868 15.6568 15.6568 15.8997 15.8997 16.2258 16.2258 k = 0.0000 0.4000 0.2227 ( 3194 PWs) bands (ev): -53.8354 -53.8354 -53.8353 -53.8353 -26.7513 -26.7513 -26.7509 -26.7509 -18.1474 -18.1474 -18.1458 -18.1458 -18.0424 -18.0424 -18.0414 -18.0414 1.8887 1.8887 3.0237 3.0237 3.4357 3.4357 5.3336 5.3336 8.1365 8.1365 8.8761 8.8761 9.8603 9.8603 10.9297 10.9297 11.3589 11.3589 11.5560 11.5560 11.8202 11.8202 12.4847 12.4847 12.8208 12.8208 13.9580 13.9580 15.1757 15.1757 15.6525 15.6525 15.9439 15.9439 16.3020 16.3020 k = 0.0000 0.4111 0.2227 ( 3202 PWs) bands (ev): -53.8353 -53.8353 -53.8353 -53.8353 -26.7517 -26.7517 -26.7513 -26.7513 -18.1494 -18.1494 -18.1480 -18.1480 -18.0420 -18.0420 -18.0412 -18.0412 1.9707 1.9707 3.0726 3.0726 3.4250 3.4250 5.1947 5.1947 8.1512 8.1512 8.8617 8.8617 9.8632 9.8632 10.8588 10.8588 11.3610 11.3610 11.5428 11.5428 11.8478 11.8478 12.4496 12.4496 12.8598 12.8598 13.9064 13.9064 15.2647 15.2647 15.6547 15.6547 15.9771 15.9771 16.3666 16.3666 k = 0.0000 0.4222 0.2227 ( 3198 PWs) bands (ev): -53.8353 -53.8353 -53.8352 -53.8352 -26.7520 -26.7520 -26.7516 -26.7516 -18.1512 -18.1512 -18.1499 -18.1499 -18.0416 -18.0416 -18.0408 -18.0408 2.0535 2.0535 3.0820 3.0820 3.4528 3.4528 5.0577 5.0577 8.1725 8.1725 8.8342 8.8342 9.8818 9.8818 10.7866 10.7866 11.3643 11.3643 11.5280 11.5280 11.8767 11.8767 12.4106 12.4106 12.9079 12.9079 13.8499 13.8499 15.3529 15.3529 15.6644 15.6644 15.9986 15.9986 16.3384 16.3384 k = 0.0000 0.4333 0.2227 ( 3198 PWs) bands (ev): -53.8352 -53.8352 -53.8352 -53.8352 -26.7522 -26.7522 -26.7519 -26.7519 -18.1527 -18.1527 -18.1515 -18.1515 -18.0413 -18.0413 -18.0406 -18.0406 2.1368 2.1368 3.0536 3.0536 3.5178 3.5178 4.9226 4.9226 8.2002 8.2002 8.7958 8.7958 9.9141 9.9141 10.7133 10.7133 11.3687 11.3687 11.5123 11.5123 11.9070 11.9070 12.3693 12.3693 12.9629 12.9629 13.7890 13.7890 15.4394 15.4394 15.6819 15.6819 16.0086 16.0086 16.2826 16.2826 k = 0.0000 0.4444 0.2227 ( 3198 PWs) bands (ev): -53.8352 -53.8352 -53.8351 -53.8351 -26.7524 -26.7524 -26.7521 -26.7521 -18.1539 -18.1539 -18.1530 -18.1530 -18.0410 -18.0410 -18.0404 -18.0404 2.2205 2.2205 3.0024 3.0024 3.6051 3.6051 4.7895 4.7895 8.2337 8.2337 8.7490 8.7490 9.9576 9.9576 10.6393 10.6393 11.3743 11.3743 11.4961 11.4961 11.9387 11.9387 12.3270 12.3270 13.0232 13.0232 13.7244 13.7244 15.5228 15.5228 15.7069 15.7069 16.0072 16.0072 16.2247 16.2247 k = 0.0000 0.4556 0.2227 ( 3210 PWs) bands (ev): -53.8351 -53.8351 -53.8351 -53.8351 -26.7527 -26.7527 -26.7524 -26.7524 -18.1550 -18.1550 -18.1543 -18.1543 -18.0408 -18.0408 -18.0404 -18.0404 2.3043 2.3043 2.9390 2.9390 3.7047 3.7047 4.6585 4.6585 8.2725 8.2725 8.6966 8.6966 10.0098 10.0098 10.5648 10.5648 11.3813 11.3813 11.4800 11.4800 11.9718 11.9718 12.2842 12.2842 13.0876 13.0876 13.6566 13.6566 15.6017 15.6017 15.7395 15.7395 15.9947 15.9947 16.1673 16.1673 k = 0.0000 0.4667 0.2227 ( 3200 PWs) bands (ev): -53.8351 -53.8351 -53.8351 -53.8351 -26.7527 -26.7527 -26.7526 -26.7526 -18.1557 -18.1557 -18.1552 -18.1552 -18.0405 -18.0405 -18.0402 -18.0402 2.3881 2.3881 2.8686 2.8686 3.8114 3.8114 4.5297 4.5297 8.3161 8.3161 8.6408 8.6408 10.0687 10.0687 10.4903 10.4903 11.3895 11.3895 11.4642 11.4642 12.0064 12.0064 12.2417 12.2417 13.1552 13.1552 13.5866 13.5866 15.6743 15.6743 15.7796 15.7796 15.9719 15.9719 16.1110 16.1110 k = 0.0000 0.4778 0.2227 ( 3200 PWs) bands (ev): -53.8351 -53.8351 -53.8350 -53.8350 -26.7528 -26.7528 -26.7527 -26.7527 -18.1563 -18.1563 -18.1559 -18.1559 -18.0404 -18.0404 -18.0402 -18.0402 2.4714 2.4714 2.7937 2.7937 3.9231 3.9231 4.4031 4.4031 8.3639 8.3639 8.5835 8.5835 10.1326 10.1326 10.4161 10.4161 11.3990 11.3990 11.4491 11.4491 12.0424 12.0424 12.1997 12.1997 13.2251 13.2251 13.5149 13.5149 15.7389 15.7389 15.8262 15.8262 15.9406 15.9406 16.0557 16.0557 k = 0.0000 0.4889 0.2227 ( 3204 PWs) bands (ev): -53.8350 -53.8350 -53.8350 -53.8350 -26.7528 -26.7528 -26.7528 -26.7528 -18.1566 -18.1566 -18.1564 -18.1564 -18.0403 -18.0403 -18.0402 -18.0402 2.5541 2.5541 2.7158 2.7158 4.0386 4.0386 4.2790 4.2790 8.4153 8.4153 8.5260 8.5260 10.2002 10.2002 10.3427 10.3427 11.4098 11.4098 11.4349 11.4349 12.0798 12.0798 12.1586 12.1586 13.2967 13.2967 13.4423 13.4423 15.7954 15.7954 15.8677 15.8677 15.9128 15.9128 16.0007 16.0007 k = 0.0000 0.5000 0.2227 ( 3216 PWs) bands (ev): -53.8351 -53.8351 -53.8351 -53.8351 -26.7529 -26.7529 -26.7529 -26.7529 -18.1567 -18.1567 -18.1567 -18.1567 -18.0402 -18.0402 -18.0402 -18.0402 2.6357 2.6357 2.6357 2.6357 4.1574 4.1574 4.1574 4.1574 8.4696 8.4696 8.4696 8.4696 10.2705 10.2705 10.2705 10.2705 11.4217 11.4217 11.4217 11.4217 12.1186 12.1186 12.1186 12.1186 13.3693 13.3693 13.3693 13.3693 15.8442 15.8442 15.8442 15.8442 15.9466 15.9466 15.9466 15.9466 k = 0.0000 0.5000 0.2227 ( 3216 PWs) bands (ev): -53.8351 -53.8351 -53.8351 -53.8351 -26.7529 -26.7529 -26.7529 -26.7529 -18.1567 -18.1567 -18.1567 -18.1567 -18.0402 -18.0402 -18.0402 -18.0402 2.6357 2.6357 2.6357 2.6357 4.1574 4.1574 4.1574 4.1574 8.4696 8.4696 8.4696 8.4696 10.2705 10.2705 10.2705 10.2705 11.4217 11.4217 11.4217 11.4217 12.1186 12.1186 12.1186 12.1186 13.3693 13.3693 13.3693 13.3693 15.8442 15.8442 15.8442 15.8442 15.9466 15.9466 15.9466 15.9466 k = 0.0111 0.5000 0.2227 ( 3208 PWs) bands (ev): -53.8350 -53.8350 -53.8350 -53.8350 -26.7529 -26.7529 -26.7529 -26.7529 -18.1567 -18.1567 -18.1566 -18.1566 -18.0403 -18.0403 -18.0402 -18.0402 2.6362 2.6362 2.6366 2.6366 4.1573 4.1573 4.1601 4.1601 8.4690 8.4690 8.4726 8.4726 10.2647 10.2647 10.2711 10.2711 11.4173 11.4173 11.4265 11.4265 12.1078 12.1078 12.1224 12.1224 13.3529 13.3529 13.3755 13.3755 15.7927 15.7927 15.8726 15.8726 15.9277 15.9277 15.9850 15.9850 k = 0.0222 0.5000 0.2227 ( 3204 PWs) bands (ev): -53.8350 -53.8350 -53.8350 -53.8350 -26.7529 -26.7529 -26.7529 -26.7529 -18.1567 -18.1567 -18.1566 -18.1566 -18.0407 -18.0407 -18.0405 -18.0405 2.6380 2.6380 2.6389 2.6389 4.1600 4.1600 4.1655 4.1655 8.4707 8.4707 8.4779 8.4779 10.2538 10.2538 10.2666 10.2666 11.4133 11.4133 11.4316 11.4316 12.0900 12.0900 12.1192 12.1192 13.3267 13.3267 13.3714 13.3714 15.7357 15.7357 15.8415 15.8415 15.9647 15.9647 16.0261 16.0261 k = 0.0333 0.5000 0.2227 ( 3196 PWs) bands (ev): -53.8350 -53.8350 -53.8350 -53.8350 -26.7530 -26.7530 -26.7529 -26.7529 -18.1566 -18.1566 -18.1565 -18.1565 -18.0411 -18.0411 -18.0409 -18.0409 2.6411 2.6411 2.6424 2.6424 4.1652 4.1652 4.1736 4.1736 8.4747 8.4747 8.4854 8.4854 10.2383 10.2383 10.2571 10.2571 11.4096 11.4096 11.4366 11.4366 12.0653 12.0653 12.1087 12.1087 13.2914 13.2914 13.3578 13.3578 15.6747 15.6747 15.7931 15.7931 16.0155 16.0155 16.0694 16.0694 k = 0.0444 0.5000 0.2227 ( 3196 PWs) bands (ev): -53.8350 -53.8350 -53.8350 -53.8350 -26.7531 -26.7531 -26.7530 -26.7530 -18.1566 -18.1566 -18.1564 -18.1564 -18.0419 -18.0419 -18.0415 -18.0415 2.6456 2.6456 2.6473 2.6473 4.1732 4.1732 4.1843 4.1843 8.4807 8.4807 8.4950 8.4950 10.2185 10.2185 10.2428 10.2428 11.4060 11.4060 11.4414 11.4414 12.0336 12.0336 12.0908 12.0908 13.2484 13.2484 13.3354 13.3354 15.6101 15.6101 15.7387 15.7387 16.0694 16.0694 16.1155 16.1155 k = 0.0556 0.5000 0.2227 ( 3200 PWs) bands (ev): -53.8349 -53.8349 -53.8349 -53.8349 -26.7533 -26.7533 -26.7532 -26.7532 -18.1566 -18.1566 -18.1564 -18.1564 -18.0428 -18.0428 -18.0423 -18.0423 2.6514 2.6514 2.6535 2.6535 4.1839 4.1839 4.1977 4.1977 8.4888 8.4888 8.5064 8.5064 10.1950 10.1950 10.2242 10.2242 11.4021 11.4021 11.4454 11.4454 11.9949 11.9949 12.0651 12.0651 13.1990 13.1990 13.3054 13.3054 15.5430 15.5430 15.6803 15.6803 16.1251 16.1251 16.1645 16.1645 k = 0.0667 0.5000 0.2227 ( 3212 PWs) bands (ev): -53.8349 -53.8349 -53.8349 -53.8349 -26.7536 -26.7536 -26.7535 -26.7535 -18.1567 -18.1567 -18.1564 -18.1564 -18.0440 -18.0440 -18.0434 -18.0434 2.6584 2.6584 2.6609 2.6609 4.1972 4.1972 4.2138 4.2138 8.4985 8.4985 8.5195 8.5195 10.1685 10.1685 10.2019 10.2019 11.3975 11.3975 11.4482 11.4482 11.9494 11.9494 12.0316 12.0316 13.1448 13.1448 13.2690 13.2690 15.4746 15.4746 15.6195 15.6195 16.1820 16.1820 16.2159 16.2159 k = 0.0778 0.5000 0.2227 ( 3216 PWs) bands (ev): -53.8349 -53.8349 -53.8349 -53.8349 -26.7539 -26.7539 -26.7538 -26.7538 -18.1567 -18.1567 -18.1564 -18.1564 -18.0452 -18.0452 -18.0446 -18.0446 2.6668 2.6668 2.6696 2.6696 4.2133 4.2133 4.2325 4.2325 8.5096 8.5096 8.5339 8.5339 10.1396 10.1396 10.1766 10.1766 11.3915 11.3915 11.4493 11.4493 11.8975 11.8975 11.9901 11.9901 13.0874 13.0874 13.2274 13.2274 15.4065 15.4065 15.5577 15.5577 16.2390 16.2390 16.2689 16.2689 k = 0.0889 0.5000 0.2227 ( 3220 PWs) bands (ev): -53.8348 -53.8348 -53.8348 -53.8348 -26.7542 -26.7542 -26.7541 -26.7541 -18.1567 -18.1567 -18.1564 -18.1564 -18.0466 -18.0466 -18.0459 -18.0459 2.6763 2.6763 2.6795 2.6795 4.2320 4.2320 4.2539 4.2539 8.5217 8.5217 8.5491 8.5491 10.1092 10.1092 10.1491 10.1491 11.3830 11.3830 11.4476 11.4476 11.8400 11.8400 11.9412 11.9412 13.0279 13.0279 13.1817 13.1817 15.3402 15.3402 15.4967 15.4967 16.2952 16.2952 16.3224 16.3224 k = 0.1000 0.5000 0.2227 ( 3220 PWs) bands (ev): -53.8347 -53.8347 -53.8347 -53.8347 -26.7545 -26.7545 -26.7544 -26.7544 -18.1567 -18.1567 -18.1564 -18.1564 -18.0482 -18.0482 -18.0474 -18.0474 2.6871 2.6871 2.6906 2.6906 4.2534 4.2534 4.2779 4.2779 8.5344 8.5344 8.5646 8.5646 10.0782 10.0782 10.1201 10.1201 11.3705 11.3705 11.4419 11.4419 11.7784 11.7784 11.8858 11.8858 12.9676 12.9676 13.1326 13.1326 15.2770 15.2770 15.4378 15.4378 16.3494 16.3494 16.3753 16.3753 k = 0.1111 0.5000 0.2227 ( 3212 PWs) bands (ev): -53.8347 -53.8347 -53.8347 -53.8347 -26.7548 -26.7548 -26.7546 -26.7546 -18.1567 -18.1567 -18.1564 -18.1564 -18.0498 -18.0498 -18.0489 -18.0489 2.6990 2.6990 2.7028 2.7028 4.2776 4.2776 4.3046 4.3046 8.5472 8.5472 8.5799 8.5799 10.0476 10.0476 10.0907 10.0907 11.3516 11.3516 11.4303 11.4303 11.7152 11.7152 11.8260 11.8260 12.9072 12.9072 13.0810 13.0810 15.2183 15.2183 15.3824 15.3824 16.4007 16.4007 16.4268 16.4268 k = 0.1222 0.5000 0.2227 ( 3216 PWs) bands (ev): -53.8346 -53.8346 -53.8346 -53.8346 -26.7552 -26.7552 -26.7550 -26.7550 -18.1568 -18.1568 -18.1564 -18.1564 -18.0516 -18.0516 -18.0506 -18.0506 2.7120 2.7120 2.7161 2.7161 4.3044 4.3044 4.3339 4.3339 8.5592 8.5592 8.5941 8.5941 10.0185 10.0185 10.0619 10.0619 11.3226 11.3226 11.4094 11.4094 11.6544 11.6544 11.7651 11.7651 12.8470 12.8470 13.0272 13.0272 15.1649 15.1649 15.3314 15.3314 16.4484 16.4484 16.4760 16.4760 k = 0.1333 0.5000 0.2227 ( 3220 PWs) bands (ev): -53.8345 -53.8345 -53.8345 -53.8345 -26.7557 -26.7557 -26.7554 -26.7554 -18.1569 -18.1569 -18.1565 -18.1565 -18.0534 -18.0534 -18.0524 -18.0524 2.7260 2.7260 2.7304 2.7304 4.3339 4.3339 4.3658 4.3658 8.5699 8.5699 8.6065 8.6065 9.9919 9.9919 10.0346 10.0346 11.2791 11.2791 11.3749 11.3749 11.6009 11.6009 11.7083 11.7083 12.7874 12.7874 12.9716 12.9716 15.1179 15.1179 15.2859 15.2859 16.4921 16.4921 16.5223 16.5223 k = 0.1444 0.5000 0.2227 ( 3220 PWs) bands (ev): -53.8344 -53.8344 -53.8344 -53.8344 -26.7561 -26.7561 -26.7559 -26.7559 -18.1571 -18.1571 -18.1566 -18.1566 -18.0554 -18.0554 -18.0543 -18.0543 2.7411 2.7411 2.7458 2.7458 4.3661 4.3661 4.4004 4.4004 8.5785 8.5785 8.6162 8.6162 9.9690 9.9690 10.0099 10.0099 11.2180 11.2180 11.3222 11.3222 11.5583 11.5583 11.6609 11.6609 12.7283 12.7283 12.9145 12.9145 15.0777 15.0777 15.2464 15.2464 16.5316 16.5316 16.5655 16.5655 k = 0.1556 0.5000 0.2227 ( 3216 PWs) bands (ev): -53.8343 -53.8343 -53.8343 -53.8343 -26.7565 -26.7565 -26.7563 -26.7563 -18.1572 -18.1572 -18.1568 -18.1568 -18.0574 -18.0574 -18.0562 -18.0562 2.7572 2.7572 2.7620 2.7620 4.4010 4.4010 4.4376 4.4376 8.5841 8.5841 8.6222 8.6222 9.9509 9.9509 9.9887 9.9887 11.1399 11.1399 11.2500 11.2500 11.5267 11.5267 11.6250 11.6250 12.6696 12.6696 12.8559 12.8559 15.0448 15.0448 15.2134 15.2134 16.5669 16.5669 16.6055 16.6055 k = 0.1667 0.5000 0.2227 ( 3220 PWs) bands (ev): -53.8342 -53.8342 -53.8342 -53.8342 -26.7570 -26.7570 -26.7568 -26.7568 -18.1575 -18.1575 -18.1570 -18.1570 -18.0594 -18.0594 -18.0583 -18.0583 2.7741 2.7741 2.7791 2.7791 4.4386 4.4386 4.4774 4.4774 8.5860 8.5860 8.6237 8.6237 9.9385 9.9385 9.9719 9.9719 11.0484 11.0484 11.1608 11.1608 11.5034 11.5034 11.5990 11.5990 12.6113 12.6113 12.7962 12.7962 15.0192 15.0192 15.1871 15.1871 16.5982 16.5982 16.6422 16.6422 k = 0.1778 0.5000 0.2227 ( 3220 PWs) bands (ev): -53.8341 -53.8341 -53.8341 -53.8341 -26.7575 -26.7575 -26.7572 -26.7572 -18.1578 -18.1578 -18.1573 -18.1573 -18.0615 -18.0615 -18.0603 -18.0603 2.7918 2.7918 2.7970 2.7970 4.4789 4.4789 4.5198 4.5198 8.5833 8.5833 8.6199 8.6199 9.9328 9.9328 9.9600 9.9600 10.9476 10.9476 11.0591 11.0591 11.4854 11.4854 11.5798 11.5798 12.5531 12.5531 12.7354 12.7354 15.0011 15.0011 15.1676 15.1676 16.6258 16.6258 16.6757 16.6757 k = 0.1889 0.5000 0.2227 ( 3212 PWs) bands (ev): -53.8340 -53.8340 -53.8340 -53.8340 -26.7580 -26.7580 -26.7577 -26.7577 -18.1582 -18.1582 -18.1576 -18.1576 -18.0635 -18.0635 -18.0622 -18.0622 2.8103 2.8103 2.8156 2.8156 4.5218 4.5218 4.5648 4.5648 8.5756 8.5756 8.6103 8.6103 9.9340 9.9340 9.9532 9.9532 10.8409 10.8409 10.9489 10.9489 11.4706 11.4706 11.5644 11.5644 12.4951 12.4951 12.6740 12.6740 14.9901 14.9901 15.1547 15.1547 16.6501 16.6501 16.7063 16.7063 k = 0.2000 0.5000 0.2227 ( 3216 PWs) bands (ev): -53.8339 -53.8339 -53.8339 -53.8339 -26.7585 -26.7585 -26.7582 -26.7582 -18.1587 -18.1587 -18.1581 -18.1581 -18.0655 -18.0655 -18.0642 -18.0642 2.8294 2.8294 2.8348 2.8348 4.5674 4.5674 4.6124 4.6124 8.5624 8.5624 8.5945 8.5945 9.9419 9.9419 9.9507 9.9507 10.7317 10.7317 10.8334 10.8334 11.4575 11.4575 11.5512 11.5512 12.4373 12.4373 12.6120 12.6120 14.9861 14.9861 15.1483 15.1483 16.6712 16.6712 16.7340 16.7340 k = 0.2111 0.5000 0.2227 ( 3208 PWs) bands (ev): -53.8338 -53.8338 -53.8338 -53.8338 -26.7590 -26.7590 -26.7587 -26.7587 -18.1592 -18.1592 -18.1586 -18.1586 -18.0674 -18.0674 -18.0662 -18.0662 2.8492 2.8492 2.8547 2.8547 4.6157 4.6157 4.6625 4.6625 8.5436 8.5436 8.5726 8.5726 9.9508 9.9508 9.9556 9.9556 10.6235 10.6235 10.7155 10.7155 11.4454 11.4454 11.5391 11.5391 12.3797 12.3797 12.5499 12.5499 14.9885 14.9885 15.1480 15.1480 16.6894 16.6894 16.7590 16.7590 k = 0.2222 0.5000 0.2227 ( 3208 PWs) bands (ev): -53.8336 -53.8336 -53.8336 -53.8336 -26.7595 -26.7595 -26.7592 -26.7592 -18.1598 -18.1598 -18.1593 -18.1593 -18.0694 -18.0694 -18.0681 -18.0681 2.8695 2.8695 2.8750 2.8750 4.6665 4.6665 4.7152 4.7152 8.5194 8.5194 8.5450 8.5450 9.9491 9.9491 9.9727 9.9727 10.5214 10.5214 10.5987 10.5987 11.4337 11.4337 11.5273 11.5273 12.3225 12.3225 12.4879 12.4879 14.9969 14.9969 15.1533 15.1533 16.7049 16.7049 16.7815 16.7815 k = 0.2333 0.5000 0.2227 ( 3208 PWs) bands (ev): -53.8335 -53.8335 -53.8335 -53.8335 -26.7601 -26.7601 -26.7598 -26.7598 -18.1606 -18.1606 -18.1600 -18.1600 -18.0712 -18.0712 -18.0700 -18.0700 2.8902 2.8902 2.8957 2.8957 4.7200 4.7200 4.7703 4.7703 8.4901 8.4901 8.5122 8.5122 9.9382 9.9382 9.9878 9.9878 10.4339 10.4339 10.4889 10.4889 11.4223 11.4223 11.5157 11.5157 12.2658 12.2658 12.4263 12.4263 15.0108 15.0108 15.1637 15.1637 16.7177 16.7177 16.8013 16.8013 k = 0.2444 0.5000 0.2227 ( 3216 PWs) bands (ev): -53.8334 -53.8334 -53.8334 -53.8334 -26.7607 -26.7607 -26.7604 -26.7604 -18.1614 -18.1614 -18.1609 -18.1609 -18.0730 -18.0730 -18.0718 -18.0718 2.9112 2.9112 2.9167 2.9167 4.7760 4.7760 4.8280 4.8280 8.4562 8.4562 8.4747 8.4747 9.9064 9.9064 9.9896 9.9896 10.3724 10.3724 10.3975 10.3975 11.4110 11.4110 11.5039 11.5039 12.2100 12.2100 12.3654 12.3654 15.0294 15.0294 15.1784 15.1784 16.7278 16.7278 16.8185 16.8185 k = 0.2556 0.5000 0.2227 ( 3208 PWs) bands (ev): -53.8333 -53.8333 -53.8333 -53.8333 -26.7612 -26.7612 -26.7609 -26.7609 -18.1623 -18.1623 -18.1618 -18.1618 -18.0747 -18.0747 -18.0734 -18.0734 2.9325 2.9325 2.9379 2.9379 4.8346 4.8346 4.8881 4.8881 8.4183 8.4183 8.4334 8.4334 9.8449 9.8449 9.9593 9.9593 10.3434 10.3434 10.3459 10.3459 11.3997 11.3997 11.4919 11.4919 12.1552 12.1552 12.3056 12.3056 15.0521 15.0521 15.1969 15.1969 16.7353 16.7353 16.8327 16.8327 k = 0.2667 0.5000 0.2227 ( 3212 PWs) bands (ev): -53.8332 -53.8332 -53.8332 -53.8332 -26.7618 -26.7618 -26.7615 -26.7615 -18.1634 -18.1634 -18.1629 -18.1629 -18.0762 -18.0762 -18.0750 -18.0750 2.9540 2.9540 2.9593 2.9593 4.8958 4.8958 4.9507 4.9507 8.3771 8.3771 8.3889 8.3889 9.7563 9.7563 9.8865 9.8865 10.3367 10.3367 10.3517 10.3517 11.3886 11.3886 11.4797 11.4797 12.1016 12.1016 12.2470 12.2470 15.0781 15.0781 15.2181 15.2181 16.7400 16.7400 16.8435 16.8435 k = 0.2778 0.5000 0.2227 ( 3216 PWs) bands (ev): -53.8331 -53.8331 -53.8331 -53.8331 -26.7623 -26.7623 -26.7620 -26.7620 -18.1645 -18.1645 -18.1641 -18.1641 -18.0777 -18.0777 -18.0765 -18.0765 2.9754 2.9754 2.9806 2.9806 4.9594 4.9594 5.0156 5.0156 8.3331 8.3331 8.3420 8.3420 9.6497 9.6497 9.7834 9.7834 10.3649 10.3649 10.3803 10.3803 11.3776 11.3776 11.4673 11.4673 12.0496 12.0496 12.1901 12.1901 15.1065 15.1065 15.2412 15.2412 16.7419 16.7419 16.8503 16.8503 k = 0.2889 0.5000 0.2227 ( 3216 PWs) bands (ev): -53.8329 -53.8329 -53.8329 -53.8329 -26.7629 -26.7629 -26.7626 -26.7626 -18.1657 -18.1657 -18.1653 -18.1653 -18.0790 -18.0790 -18.0779 -18.0779 2.9969 2.9969 3.0019 3.0019 5.0254 5.0254 5.0828 5.0828 8.2871 8.2871 8.2932 8.2932 9.5330 9.5330 9.6653 9.6653 10.4124 10.4124 10.4235 10.4235 11.3668 11.3668 11.4547 11.4547 11.9994 11.9994 12.1349 12.1349 15.1365 15.1365 15.2650 15.2650 16.7412 16.7412 16.8520 16.8520 k = 0.3000 0.5000 0.2227 ( 3216 PWs) bands (ev): -53.8328 -53.8328 -53.8328 -53.8328 -26.7634 -26.7634 -26.7631 -26.7631 -18.1670 -18.1670 -18.1666 -18.1666 -18.0802 -18.0802 -18.0791 -18.0791 3.0182 3.0182 3.0231 3.0231 5.0938 5.0938 5.1523 5.1523 8.2394 8.2394 8.2430 8.2430 9.4111 9.4111 9.5404 9.5404 10.4705 10.4705 10.4761 10.4761 11.3565 11.3565 11.4421 11.4421 11.9512 11.9512 12.0818 12.0818 15.1669 15.1669 15.2884 15.2884 16.7383 16.7383 16.8477 16.8477 k = 0.3111 0.5000 0.2227 ( 3212 PWs) bands (ev): -53.8327 -53.8327 -53.8327 -53.8327 -26.7639 -26.7639 -26.7636 -26.7636 -18.1683 -18.1683 -18.1679 -18.1679 -18.0812 -18.0812 -18.0802 -18.0802 3.0392 3.0392 3.0439 3.0439 5.1645 5.1645 5.2240 5.2240 8.1905 8.1905 8.1920 8.1920 9.2869 9.2869 9.4128 9.4128 10.5349 10.5349 10.5351 10.5351 11.3468 11.3468 11.4296 11.4296 11.9053 11.9053 12.0309 12.0309 15.1965 15.1965 15.3101 15.3101 16.7339 16.7339 16.8367 16.8367 k = 0.3222 0.5000 0.2227 ( 3212 PWs) bands (ev): -53.8326 -53.8326 -53.8326 -53.8326 -26.7644 -26.7644 -26.7641 -26.7641 -18.1697 -18.1697 -18.1694 -18.1694 -18.0821 -18.0821 -18.0811 -18.0811 3.0599 3.0599 3.0644 3.0644 5.2374 5.2374 5.2978 5.2978 8.1403 8.1403 8.1408 8.1408 9.1621 9.1621 9.2846 9.2846 10.5976 10.5976 10.6034 10.6034 11.3380 11.3380 11.4173 11.4173 11.8618 11.8618 11.9824 11.9824 15.2241 15.2241 15.3285 15.3285 16.7293 16.7293 16.8198 16.8198 k = 0.3333 0.5000 0.2227 ( 3208 PWs) bands (ev): -53.8325 -53.8325 -53.8325 -53.8325 -26.7649 -26.7649 -26.7646 -26.7646 -18.1711 -18.1711 -18.1708 -18.1708 -18.0829 -18.0829 -18.0820 -18.0820 3.0801 3.0801 3.0843 3.0843 5.3124 5.3124 5.3735 5.3735 8.0883 8.0883 8.0903 8.0903 9.0381 9.0381 9.1572 9.1572 10.6625 10.6625 10.6738 10.6738 11.3305 11.3305 11.4055 11.4055 11.8210 11.8210 11.9364 11.9364 15.2482 15.2482 15.3422 15.3422 16.7260 16.7260 16.7990 16.7990 k = 0.3444 0.5000 0.2227 ( 3204 PWs) bands (ev): -53.8324 -53.8324 -53.8324 -53.8324 -26.7653 -26.7653 -26.7651 -26.7651 -18.1725 -18.1725 -18.1723 -18.1723 -18.0836 -18.0836 -18.0827 -18.0827 3.0996 3.0996 3.1037 3.1037 5.3895 5.3895 5.4512 5.4512 8.0361 8.0361 8.0393 8.0393 8.9161 8.9161 9.0316 9.0316 10.7281 10.7281 10.7447 10.7447 11.3246 11.3246 11.3946 11.3946 11.7831 11.7831 11.8932 11.8932 15.2673 15.2673 15.3500 15.3500 16.7259 16.7259 16.7777 16.7777 k = 0.3556 0.5000 0.2227 ( 3200 PWs) bands (ev): -53.8323 -53.8323 -53.8323 -53.8323 -26.7657 -26.7657 -26.7655 -26.7655 -18.1739 -18.1739 -18.1737 -18.1737 -18.0842 -18.0842 -18.0834 -18.0834 3.1185 3.1185 3.1223 3.1223 5.4684 5.4684 5.5305 5.5305 7.9836 7.9836 7.9875 7.9875 8.7971 8.7971 8.9088 8.9088 10.7928 10.7928 10.8148 10.8148 11.3210 11.3210 11.3850 11.3850 11.7482 11.7482 11.8527 11.8527 15.2803 15.2803 15.3507 15.3507 16.7308 16.7308 16.7595 16.7595 k = 0.3667 0.5000 0.2227 ( 3200 PWs) bands (ev): -53.8322 -53.8322 -53.8322 -53.8322 -26.7661 -26.7661 -26.7659 -26.7659 -18.1753 -18.1753 -18.1752 -18.1752 -18.0847 -18.0847 -18.0840 -18.0840 3.1365 3.1365 3.1401 3.1401 5.5491 5.5491 5.6114 5.6114 7.9307 7.9307 7.9348 7.9348 8.6823 8.6823 8.7898 8.7898 10.8549 10.8549 10.8824 10.8824 11.3205 11.3205 11.3774 11.3774 11.7165 11.7165 11.8151 11.8151 15.2858 15.2858 15.3438 15.3438 16.7419 16.7419 16.7475 16.7475 k = 0.3778 0.5000 0.2227 ( 3200 PWs) bands (ev): -53.8321 -53.8321 -53.8321 -53.8321 -26.7665 -26.7665 -26.7663 -26.7663 -18.1767 -18.1767 -18.1766 -18.1766 -18.0851 -18.0851 -18.0845 -18.0845 3.1537 3.1537 3.1569 3.1569 5.6312 5.6312 5.6935 5.6935 7.8772 7.8772 7.8806 7.8806 8.5730 8.5730 8.6755 8.6755 10.9126 10.9126 10.9458 10.9458 11.3242 11.3242 11.3728 11.3728 11.6882 11.6882 11.7807 11.7807 15.2835 15.2835 15.3294 15.3294 16.7440 16.7440 16.7600 16.7600 k = 0.3889 0.5000 0.2227 ( 3200 PWs) bands (ev): -53.8320 -53.8320 -53.8320 -53.8320 -26.7669 -26.7669 -26.7667 -26.7667 -18.1780 -18.1780 -18.1779 -18.1779 -18.0855 -18.0855 -18.0849 -18.0849 3.1697 3.1697 3.1727 3.1727 5.7145 5.7145 5.7765 5.7765 7.8226 7.8226 7.8244 7.8244 8.4707 8.4707 8.5672 8.5672 10.9638 10.9638 11.0026 11.0026 11.3329 11.3329 11.3725 11.3725 11.6635 11.6635 11.7494 11.7494 15.2733 15.2733 15.3082 15.3082 16.7501 16.7501 16.7850 16.7850 k = 0.4000 0.5000 0.2227 ( 3200 PWs) bands (ev): -53.8319 -53.8319 -53.8319 -53.8319 -26.7672 -26.7672 -26.7671 -26.7671 -18.1793 -18.1793 -18.1792 -18.1792 -18.0858 -18.0858 -18.0852 -18.0852 3.1846 3.1846 3.1873 3.1873 5.7986 5.7986 5.8599 5.8599 7.7654 7.7654 7.7663 7.7663 8.3768 8.3768 8.4661 8.4661 11.0067 11.0067 11.0505 11.0505 11.3478 11.3478 11.3781 11.3781 11.6425 11.6425 11.7216 11.7216 15.2561 15.2561 15.2813 15.2813 16.7660 16.7660 16.8162 16.8162 k = 0.4111 0.5000 0.2227 ( 3204 PWs) bands (ev): -53.8319 -53.8319 -53.8319 -53.8319 -26.7676 -26.7676 -26.7674 -26.7674 -18.1805 -18.1805 -18.1804 -18.1804 -18.0860 -18.0860 -18.0856 -18.0856 3.1983 3.1983 3.2007 3.2007 5.8831 5.8831 5.9433 5.9433 7.7031 7.7031 7.7079 7.7079 8.2928 8.2928 8.3735 8.3735 11.0404 11.0404 11.0872 11.0872 11.3685 11.3685 11.3905 11.3905 11.6257 11.6257 11.6974 11.6974 15.2332 15.2332 15.2505 15.2505 16.7909 16.7909 16.8518 16.8518 k = 0.4222 0.5000 0.2227 ( 3200 PWs) bands (ev): -53.8318 -53.8318 -53.8318 -53.8318 -26.7678 -26.7678 -26.7677 -26.7677 -18.1815 -18.1815 -18.1814 -18.1814 -18.0862 -18.0862 -18.0858 -18.0858 3.2106 3.2106 3.2128 3.2128 5.9672 5.9672 6.0257 6.0257 7.6374 7.6374 7.6470 7.6470 8.2201 8.2201 8.2909 8.2909 11.0652 11.0652 11.1121 11.1121 11.3937 11.3937 11.4090 11.4090 11.6134 11.6134 11.6772 11.6772 15.2063 15.2063 15.2175 15.2175 16.8232 16.8232 16.8898 16.8898 k = 0.4333 0.5000 0.2227 ( 3212 PWs) bands (ev): -53.8318 -53.8318 -53.8318 -53.8318 -26.7681 -26.7681 -26.7680 -26.7680 -18.1825 -18.1825 -18.1824 -18.1824 -18.0864 -18.0864 -18.0861 -18.0861 3.2215 3.2215 3.2234 3.2234 6.0500 6.0500 6.1060 6.1060 7.5693 7.5693 7.5837 7.5837 8.1591 8.1591 8.2191 8.2191 11.0827 11.0827 11.1267 11.1267 11.4202 11.4202 11.4307 11.4307 11.6065 11.6065 11.6614 11.6614 15.1777 15.1777 15.1842 15.1842 16.8609 16.8609 16.9274 16.9274 k = 0.4444 0.5000 0.2227 ( 3212 PWs) bands (ev): -53.8317 -53.8317 -53.8317 -53.8317 -26.7683 -26.7683 -26.7682 -26.7682 -18.1833 -18.1833 -18.1832 -18.1832 -18.0865 -18.0865 -18.0862 -18.0862 3.2309 3.2309 3.2324 3.2324 6.1302 6.1302 6.1825 6.1825 7.5005 7.5005 7.5191 7.5191 8.1098 8.1098 8.1588 8.1588 11.0948 11.0948 11.1336 11.1336 11.4449 11.4449 11.4513 11.4513 11.6057 11.6057 11.6506 11.6506 15.1492 15.1492 15.1526 15.1526 16.9012 16.9012 16.9621 16.9621 k = 0.4556 0.5000 0.2227 ( 3212 PWs) bands (ev): -53.8317 -53.8317 -53.8317 -53.8317 -26.7685 -26.7685 -26.7684 -26.7684 -18.1840 -18.1840 -18.1839 -18.1839 -18.0866 -18.0866 -18.0864 -18.0864 3.2387 3.2387 3.2399 3.2399 6.2058 6.2058 6.2528 6.2528 7.4344 7.4344 7.4554 7.4554 8.0717 8.0717 8.1098 8.1098 11.1035 11.1035 11.1356 11.1356 11.4647 11.4647 11.4674 11.4674 11.6108 11.6108 11.6449 11.6449 15.1229 15.1229 15.1243 15.1243 16.9410 16.9410 16.9914 16.9914 k = 0.4667 0.5000 0.2227 ( 3216 PWs) bands (ev): -53.8317 -53.8317 -53.8317 -53.8317 -26.7686 -26.7686 -26.7686 -26.7686 -18.1845 -18.1845 -18.1845 -18.1845 -18.0867 -18.0867 -18.0865 -18.0865 3.2449 3.2449 3.2458 3.2458 6.2741 6.2741 6.3136 6.3136 7.3751 7.3751 7.3958 7.3958 8.0440 8.0440 8.0717 8.0717 11.1100 11.1100 11.1346 11.1346 11.4781 11.4781 11.4783 11.4783 11.6200 11.6200 11.6436 11.6436 15.1004 15.1004 15.1007 15.1007 16.9766 16.9766 17.0137 17.0137 k = 0.4778 0.5000 0.2227 ( 3224 PWs) bands (ev): -53.8317 -53.8317 -53.8317 -53.8317 -26.7688 -26.7688 -26.7687 -26.7687 -18.1850 -18.1850 -18.1849 -18.1849 -18.0867 -18.0867 -18.0866 -18.0866 3.2494 3.2494 3.2500 3.2500 6.3311 6.3311 6.3602 6.3602 7.3281 7.3281 7.3451 7.3451 8.0260 8.0260 8.0440 8.0440 11.1153 11.1153 11.1318 11.1318 11.4844 11.4844 11.4859 11.4859 11.6304 11.6304 11.6448 11.6448 15.0831 15.0831 15.0832 15.0832 17.0049 17.0049 17.0283 17.0283 k = 0.4889 0.5000 0.2227 ( 3240 PWs) bands (ev): -53.8317 -53.8317 -53.8317 -53.8317 -26.7689 -26.7689 -26.7689 -26.7689 -18.1853 -18.1853 -18.1853 -18.1853 -18.0868 -18.0868 -18.0868 -18.0868 3.2521 3.2521 3.2524 3.2524 6.3720 6.3720 6.3876 6.3876 7.2991 7.2991 7.3088 7.3088 8.0171 8.0171 8.0260 8.0260 11.1199 11.1199 11.1282 11.1282 11.4878 11.4878 11.4891 11.4891 11.6390 11.6390 11.6457 11.6457 15.0722 15.0722 15.0724 15.0724 17.0241 17.0241 17.0351 17.0351 k = 0.5000 0.5000 0.2227 ( 3232 PWs) bands (ev): -53.8317 -53.8317 -53.8317 -53.8317 -26.7689 -26.7689 -26.7689 -26.7689 -18.1853 -18.1853 -18.1853 -18.1853 -18.0867 -18.0867 -18.0867 -18.0867 3.2532 3.2532 3.2532 3.2532 6.3918 6.3918 6.3918 6.3918 7.2924 7.2924 7.2924 7.2924 8.0171 8.0171 8.0171 8.0171 11.1242 11.1242 11.1242 11.1242 11.4894 11.4894 11.4894 11.4894 11.6441 11.6441 11.6441 11.6441 15.0686 15.0686 15.0686 15.0686 17.0339 17.0339 17.0339 17.0339 k = 0.5000 0.5000 0.2227 ( 3232 PWs) bands (ev): -53.8317 -53.8317 -53.8317 -53.8317 -26.7689 -26.7689 -26.7689 -26.7689 -18.1853 -18.1853 -18.1853 -18.1853 -18.0867 -18.0867 -18.0867 -18.0867 3.2532 3.2532 3.2532 3.2532 6.3918 6.3918 6.3918 6.3918 7.2924 7.2924 7.2924 7.2924 8.0171 8.0171 8.0171 8.0171 11.1242 11.1242 11.1242 11.1242 11.4894 11.4894 11.4894 11.4894 11.6441 11.6441 11.6441 11.6441 15.0686 15.0686 15.0686 15.0686 17.0339 17.0339 17.0339 17.0339 k = 0.4922 0.4922 0.2227 ( 3240 PWs) bands (ev): -53.8317 -53.8317 -53.8317 -53.8317 -26.7689 -26.7689 -26.7689 -26.7689 -18.1853 -18.1853 -18.1853 -18.1853 -18.0868 -18.0868 -18.0868 -18.0868 3.2507 3.2507 3.2539 3.2539 6.3650 6.3650 6.3952 6.3952 7.2880 7.2880 7.3192 7.3192 8.0160 8.0160 8.0269 8.0269 11.1199 11.1199 11.1282 11.1282 11.4872 11.4872 11.4898 11.4898 11.6390 11.6390 11.6456 11.6456 15.0719 15.0719 15.0726 15.0726 17.0238 17.0238 17.0355 17.0355 k = 0.4844 0.4844 0.2227 ( 3224 PWs) bands (ev): -53.8317 -53.8317 -53.8317 -53.8317 -26.7688 -26.7688 -26.7687 -26.7687 -18.1850 -18.1850 -18.1849 -18.1849 -18.0867 -18.0867 -18.0866 -18.0866 3.2434 3.2434 3.2560 3.2560 6.2981 6.2981 6.3991 6.3991 7.2782 7.2782 7.3903 7.3903 8.0189 8.0189 8.0496 8.0496 11.1148 11.1148 11.1321 11.1321 11.4809 11.4809 11.4904 11.4904 11.6303 11.6303 11.6441 11.6441 15.0818 15.0818 15.0843 15.0843 17.0033 17.0033 17.0316 17.0316 k = 0.4766 0.4766 0.2227 ( 3208 PWs) bands (ev): -53.8317 -53.8317 -53.8317 -53.8317 -26.7686 -26.7686 -26.7685 -26.7685 -18.1845 -18.1845 -18.1844 -18.1844 -18.0866 -18.0866 -18.0865 -18.0865 3.2313 3.2313 3.2595 3.2595 6.2031 6.2031 6.4054 6.4054 7.2634 7.2634 7.4923 7.4923 8.0243 8.0243 8.0851 8.0851 11.1084 11.1084 11.1354 11.1354 11.4701 11.4701 11.4915 11.4915 11.6187 11.6187 11.6408 11.6408 15.0976 15.0976 15.1033 15.1033 16.9731 16.9731 17.0237 17.0237 k = 0.4688 0.4687 0.2227 ( 3204 PWs) bands (ev): -53.8317 -53.8317 -53.8317 -53.8317 -26.7684 -26.7684 -26.7683 -26.7683 -18.1839 -18.1839 -18.1839 -18.1839 -18.0866 -18.0866 -18.0863 -18.0863 3.2143 3.2143 3.2644 3.2644 6.0916 6.0916 6.4142 6.4142 7.2456 7.2456 7.6135 7.6135 8.0322 8.0322 8.1317 8.1317 11.0996 11.0996 11.1372 11.1372 11.4547 11.4547 11.4931 11.4931 11.6052 11.6052 11.6372 11.6372 15.1185 15.1185 15.1287 15.1287 16.9353 16.9353 17.0121 17.0121 k = 0.4609 0.4609 0.2227 ( 3200 PWs) bands (ev): -53.8317 -53.8317 -53.8317 -53.8317 -26.7682 -26.7682 -26.7681 -26.7681 -18.1832 -18.1832 -18.1832 -18.1832 -18.0865 -18.0865 -18.0862 -18.0862 3.1927 3.1927 3.2706 3.2706 5.9707 5.9707 6.4254 6.4254 7.2267 7.2267 7.7463 7.7463 8.0428 8.0428 8.1875 8.1875 11.0871 11.0871 11.1360 11.1360 11.4357 11.4357 11.4954 11.4954 11.5913 11.5913 11.6348 11.6348 15.1435 15.1435 15.1596 15.1596 16.8930 16.8930 16.9974 16.9974 k = 0.4531 0.4531 0.2227 ( 3200 PWs) bands (ev): -53.8318 -53.8318 -53.8318 -53.8318 -26.7681 -26.7681 -26.7679 -26.7679 -18.1824 -18.1824 -18.1823 -18.1823 -18.0864 -18.0864 -18.0861 -18.0861 3.1664 3.1664 3.2780 3.2780 5.8448 5.8448 6.4391 6.4391 7.2084 7.2084 7.8851 7.8851 8.0573 8.0573 8.2509 8.2509 11.0695 11.0695 11.1292 11.1292 11.4156 11.4156 11.4989 11.4989 11.5785 11.5785 11.6345 11.6345 15.1714 15.1714 15.1945 15.1945 16.8485 16.8485 16.9793 16.9793 k = 0.4453 0.4453 0.2227 ( 3200 PWs) bands (ev): -53.8318 -53.8318 -53.8318 -53.8318 -26.7678 -26.7678 -26.7677 -26.7677 -18.1813 -18.1813 -18.1813 -18.1813 -18.0863 -18.0863 -18.0859 -18.0859 3.1356 3.1356 3.2865 3.2865 5.7164 5.7164 6.4553 6.4553 7.1920 7.1920 8.0159 8.0159 8.0870 8.0870 8.3206 8.3206 11.0456 11.0456 11.1133 11.1133 11.3981 11.3981 11.5040 11.5040 11.5680 11.5680 11.6367 11.6367 15.2007 15.2007 15.2320 15.2320 16.8040 16.8040 16.9579 16.9579 k = 0.4375 0.4375 0.2227 ( 3200 PWs) bands (ev): -53.8319 -53.8319 -53.8319 -53.8319 -26.7675 -26.7675 -26.7674 -26.7674 -18.1802 -18.1802 -18.1802 -18.1802 -18.0862 -18.0862 -18.0857 -18.0857 3.1004 3.1004 3.2961 3.2961 5.5869 5.5869 6.4740 6.4740 7.1784 7.1784 8.0709 8.0709 8.1973 8.1973 8.3959 8.3959 11.0145 11.0145 11.0856 11.0856 11.3869 11.3869 11.5113 11.5113 11.5606 11.5606 11.6417 11.6417 15.2300 15.2300 15.2704 15.2704 16.7608 16.7608 16.9332 16.9332 k = 0.4297 0.4297 0.2227 ( 3200 PWs) bands (ev): -53.8319 -53.8319 -53.8319 -53.8319 -26.7673 -26.7673 -26.7670 -26.7670 -18.1789 -18.1789 -18.1788 -18.1788 -18.0861 -18.0861 -18.0855 -18.0855 3.0609 3.0609 3.3066 3.3066 5.4574 5.4574 6.4952 6.4952 7.1684 7.1684 8.0937 8.0937 8.3423 8.3423 8.4776 8.4776 10.9762 10.9762 11.0449 11.0449 11.3835 11.3835 11.5211 11.5211 11.5566 11.5566 11.6495 11.6495 15.2580 15.2580 15.3081 15.3081 16.7194 16.7194 16.9067 16.9067 k = 0.4219 0.4219 0.2227 ( 3200 PWs) bands (ev): -53.8320 -53.8320 -53.8320 -53.8320 -26.7669 -26.7669 -26.7667 -26.7667 -18.1775 -18.1775 -18.1774 -18.1774 -18.0860 -18.0860 -18.0853 -18.0853 3.0174 3.0174 3.3179 3.3179 5.3286 5.3286 6.5188 6.5188 7.1626 7.1626 8.1153 8.1153 8.4844 8.4844 8.5706 8.5706 10.9311 10.9311 10.9926 10.9926 11.3874 11.3874 11.5328 11.5328 11.5568 11.5568 11.6604 11.6604 15.2835 15.2835 15.3435 15.3435 16.6792 16.6792 16.8811 16.8811 k = 0.4141 0.4141 0.2227 ( 3200 PWs) bands (ev): -53.8321 -53.8321 -53.8321 -53.8321 -26.7665 -26.7665 -26.7663 -26.7663 -18.1759 -18.1759 -18.1758 -18.1758 -18.0858 -18.0858 -18.0851 -18.0851 2.9701 2.9701 3.3297 3.3297 5.2012 5.2012 6.5449 6.5449 7.1612 7.1612 8.1381 8.1381 8.6034 8.6034 8.6914 8.6914 10.8801 10.8801 10.9311 10.9311 11.3966 11.3966 11.5431 11.5431 11.5639 11.5639 11.6746 11.6746 15.3056 15.3056 15.3753 15.3753 16.6391 16.6391 16.8578 16.8578 k = 0.4062 0.4062 0.2227 ( 3196 PWs) bands (ev): -53.8322 -53.8322 -53.8322 -53.8322 -26.7661 -26.7661 -26.7658 -26.7658 -18.1741 -18.1741 -18.1740 -18.1740 -18.0856 -18.0856 -18.0848 -18.0848 2.9191 2.9191 3.3418 3.3418 5.0754 5.0754 6.5734 6.5734 7.1646 7.1646 8.1626 8.1626 8.7000 8.7000 8.8377 8.8377 10.8246 10.8246 10.8626 10.8626 11.4093 11.4093 11.5492 11.5492 11.5800 11.5800 11.6923 11.6923 15.3238 15.3238 15.4029 15.4029 16.5981 16.5981 16.8355 16.8355 k = 0.3984 0.3984 0.2227 ( 3196 PWs) bands (ev): -53.8323 -53.8323 -53.8323 -53.8323 -26.7656 -26.7656 -26.7654 -26.7654 -18.1723 -18.1723 -18.1722 -18.1722 -18.0854 -18.0854 -18.0845 -18.0845 2.8647 2.8647 3.3540 3.3540 4.9518 4.9518 6.6043 6.6043 7.1728 7.1728 8.1890 8.1890 8.7907 8.7907 8.9920 8.9920 10.7656 10.7656 10.7891 10.7891 11.4241 11.4241 11.5539 11.5539 11.6013 11.6013 11.7139 11.7139 15.3378 15.3378 15.4260 15.4260 16.5556 16.5556 16.8121 16.8121 k = 0.3906 0.3906 0.2227 ( 3200 PWs) bands (ev): -53.8324 -53.8324 -53.8324 -53.8324 -26.7652 -26.7652 -26.7649 -26.7649 -18.1703 -18.1703 -18.1702 -18.1702 -18.0852 -18.0852 -18.0842 -18.0842 2.8072 2.8072 3.3658 3.3658 4.8307 4.8307 6.6376 6.6376 7.1860 7.1860 8.2173 8.2173 8.8804 8.8804 9.1481 9.1481 10.7027 10.7027 10.7141 10.7141 11.4397 11.4397 11.5589 11.5589 11.6253 11.6253 11.7395 11.7395 15.3476 15.3476 15.4452 15.4452 16.5116 16.5116 16.7870 16.7870 k = 0.3828 0.3828 0.2227 ( 3200 PWs) bands (ev): -53.8325 -53.8325 -53.8325 -53.8325 -26.7647 -26.7647 -26.7644 -26.7644 -18.1682 -18.1682 -18.1681 -18.1681 -18.0849 -18.0849 -18.0839 -18.0839 2.7468 2.7468 3.3769 3.3769 4.7127 4.7127 6.6733 6.6733 7.2040 7.2040 8.2476 8.2476 8.9704 8.9704 9.3038 9.3038 10.6274 10.6274 10.6486 10.6486 11.4555 11.4555 11.5646 11.5646 11.6510 11.6510 11.7691 11.7691 15.3537 15.3537 15.4617 15.4617 16.4665 16.4665 16.7602 16.7602 k = 0.3750 0.3750 0.2227 ( 3202 PWs) bands (ev): -53.8326 -53.8326 -53.8326 -53.8326 -26.7641 -26.7641 -26.7638 -26.7638 -18.1659 -18.1659 -18.1658 -18.1658 -18.0847 -18.0847 -18.0836 -18.0836 2.6838 2.6838 3.3866 3.3866 4.5983 4.5983 6.7114 6.7114 7.2270 7.2270 8.2799 8.2799 9.0607 9.0607 9.4572 9.4572 10.5453 10.5453 10.5899 10.5899 11.4709 11.4709 11.5710 11.5710 11.6779 11.6779 11.8027 11.8027 15.3569 15.3569 15.4768 15.4768 16.4206 16.4206 16.7322 16.7322 k = 0.3672 0.3672 0.2227 ( 3206 PWs) bands (ev): -53.8328 -53.8328 -53.8327 -53.8327 -26.7636 -26.7636 -26.7633 -26.7633 -18.1636 -18.1636 -18.1635 -18.1635 -18.0844 -18.0844 -18.0832 -18.0832 2.6184 2.6184 3.3941 3.3941 4.4883 4.4883 6.7519 6.7519 7.2546 7.2546 8.3140 8.3140 9.1515 9.1515 9.6058 9.6058 10.4612 10.4612 10.5367 10.5367 11.4858 11.4858 11.5780 11.5780 11.7052 11.7052 11.8399 11.8399 15.3579 15.3579 15.4920 15.4920 16.3744 16.3744 16.7033 16.7033 k = 0.3594 0.3594 0.2227 ( 3206 PWs) bands (ev): -53.8329 -53.8329 -53.8329 -53.8329 -26.7630 -26.7630 -26.7626 -26.7626 -18.1611 -18.1611 -18.1610 -18.1610 -18.0842 -18.0842 -18.0829 -18.0829 2.5509 2.5509 3.3984 3.3984 4.3836 4.3836 6.7946 6.7946 7.2868 7.2868 8.3501 8.3501 9.2426 9.2426 9.7453 9.7453 10.3761 10.3761 10.4932 10.4932 11.4999 11.4999 11.5857 11.5857 11.7326 11.7326 11.8806 11.8806 15.3578 15.3578 15.5087 15.5087 16.3280 16.3280 16.6737 16.6737 k = 0.3516 0.3516 0.2227 ( 3208 PWs) bands (ev): -53.8330 -53.8330 -53.8330 -53.8330 -26.7624 -26.7624 -26.7620 -26.7620 -18.1585 -18.1585 -18.1584 -18.1584 -18.0839 -18.0839 -18.0825 -18.0825 2.4817 2.4817 3.3983 3.3983 4.2855 4.2855 6.8398 6.8398 7.3235 7.3235 8.3880 8.3880 9.3340 9.3340 9.8672 9.8672 10.2907 10.2907 10.4682 10.4682 11.5134 11.5134 11.5940 11.5940 11.7595 11.7595 11.9246 11.9246 15.3577 15.3577 15.5282 15.5282 16.2818 16.2818 16.6436 16.6436 k = 0.3438 0.3437 0.2227 ( 3208 PWs) bands (ev): -53.8332 -53.8332 -53.8331 -53.8331 -26.7618 -26.7618 -26.7614 -26.7614 -18.1558 -18.1558 -18.1556 -18.1556 -18.0836 -18.0836 -18.0821 -18.0821 2.4109 2.4109 3.3919 3.3919 4.1956 4.1956 6.8872 6.8872 7.3642 7.3642 8.4278 8.4278 9.4253 9.4253 9.9569 9.9569 10.2056 10.2056 10.4765 10.4765 11.5264 11.5264 11.6030 11.6030 11.7853 11.7853 11.9715 11.9715 15.3586 15.3586 15.5514 15.5514 16.2358 16.2358 16.6130 16.6130 k = 0.3359 0.3359 0.2227 ( 3212 PWs) bands (ev): -53.8333 -53.8333 -53.8333 -53.8333 -26.7612 -26.7612 -26.7607 -26.7607 -18.1530 -18.1530 -18.1529 -18.1529 -18.0833 -18.0833 -18.0817 -18.0817 2.3388 2.3388 3.3773 3.3773 4.1158 4.1158 6.9369 6.9369 7.4089 7.4089 8.4694 8.4694 9.5162 9.5162 10.0010 10.0010 10.1213 10.1213 10.5319 10.5319 11.5389 11.5389 11.6125 11.6125 11.8095 11.8095 12.0213 12.0213 15.3614 15.3614 15.5791 15.5791 16.1903 16.1903 16.5821 16.5821 k = 0.3281 0.3281 0.2227 ( 3208 PWs) bands (ev): -53.8334 -53.8334 -53.8334 -53.8334 -26.7604 -26.7604 -26.7600 -26.7600 -18.1501 -18.1501 -18.1499 -18.1499 -18.0829 -18.0829 -18.0812 -18.0812 2.2656 2.2656 3.3523 3.3523 4.0481 4.0481 6.9889 6.9889 7.4571 7.4571 8.5128 8.5128 9.6058 9.6058 10.0039 10.0039 10.0394 10.0394 10.6300 10.6300 11.5511 11.5511 11.6227 11.6227 11.8318 11.8318 12.0737 12.0737 15.3671 15.3671 15.6117 15.6117 16.1455 16.1455 16.5509 16.5509 k = 0.3203 0.3203 0.2227 ( 3200 PWs) bands (ev): -53.8336 -53.8336 -53.8336 -53.8336 -26.7597 -26.7597 -26.7592 -26.7592 -18.1470 -18.1470 -18.1469 -18.1469 -18.0825 -18.0825 -18.0808 -18.0808 2.1917 2.1917 3.3155 3.3155 3.9940 3.9940 7.0431 7.0431 7.5087 7.5087 8.5580 8.5580 9.6915 9.6915 9.9593 9.9593 9.9863 9.9863 10.7536 10.7536 11.5632 11.5632 11.6335 11.6335 11.8519 11.8519 12.1285 12.1285 15.3761 15.3761 15.6493 15.6493 16.1017 16.1017 16.5196 16.5196 k = 0.3125 0.3125 0.2227 ( 3204 PWs) bands (ev): -53.8337 -53.8337 -53.8337 -53.8337 -26.7590 -26.7590 -26.7585 -26.7585 -18.1440 -18.1440 -18.1438 -18.1438 -18.0822 -18.0822 -18.0803 -18.0803 2.1171 2.1171 3.2666 3.2666 3.9535 3.9535 7.0995 7.0995 7.5632 7.5632 8.6049 8.6049 9.7593 9.7593 9.8967 9.8967 9.9599 9.9599 10.8894 10.8894 11.5752 11.5752 11.6450 11.6450 11.8698 11.8698 12.1854 12.1854 15.3890 15.3890 15.6912 15.6912 16.0598 16.0598 16.4880 16.4880 k = 0.3047 0.3047 0.2227 ( 3204 PWs) bands (ev): -53.8339 -53.8339 -53.8339 -53.8339 -26.7583 -26.7583 -26.7577 -26.7577 -18.1408 -18.1408 -18.1406 -18.1406 -18.0818 -18.0818 -18.0799 -18.0799 2.0422 2.0422 3.2067 3.2067 3.9254 3.9254 7.1582 7.1582 7.6201 7.6201 8.6534 8.6534 9.7537 9.7537 9.8816 9.8816 9.9578 9.9578 11.0303 11.0303 11.5873 11.5873 11.6574 11.6574 11.8854 11.8854 12.2443 12.2443 15.4062 15.4062 15.7356 15.7356 16.0216 16.0216 16.4563 16.4563 k = 0.2969 0.2969 0.2227 ( 3208 PWs) bands (ev): -53.8341 -53.8341 -53.8341 -53.8341 -26.7575 -26.7575 -26.7570 -26.7570 -18.1376 -18.1376 -18.1374 -18.1374 -18.0815 -18.0815 -18.0794 -18.0794 1.9672 1.9672 3.1379 3.1379 3.9076 3.9076 7.2190 7.2190 7.6791 7.6791 8.7035 8.7035 9.6915 9.6915 9.8619 9.8619 10.0191 10.0191 11.1721 11.1721 11.5997 11.5997 11.6712 11.6712 11.8989 11.8989 12.3048 12.3048 15.4276 15.4276 15.7777 15.7777 15.9920 15.9920 16.4246 16.4246 k = 0.2891 0.2891 0.2227 ( 3200 PWs) bands (ev): -53.8342 -53.8342 -53.8342 -53.8342 -26.7567 -26.7567 -26.7561 -26.7561 -18.1343 -18.1343 -18.1341 -18.1341 -18.0811 -18.0811 -18.0788 -18.0788 1.8921 1.8921 3.0626 3.0626 3.8974 3.8974 7.2820 7.2820 7.7396 7.7396 8.7551 8.7551 9.6213 9.6213 9.8317 9.8317 10.1037 10.1037 11.3114 11.3114 11.6127 11.6127 11.6873 11.6873 11.9107 11.9107 12.3668 12.3668 15.4529 15.4529 15.8055 15.8055 15.9829 15.9829 16.3928 16.3928 k = 0.2812 0.2812 0.2227 ( 3208 PWs) bands (ev): -53.8344 -53.8344 -53.8344 -53.8344 -26.7560 -26.7560 -26.7554 -26.7554 -18.1310 -18.1310 -18.1308 -18.1308 -18.0807 -18.0807 -18.0784 -18.0784 1.8173 1.8173 2.9830 2.9830 3.8927 3.8927 7.3471 7.3471 7.8008 7.8008 8.8082 8.8082 9.5521 9.5521 9.8018 9.8018 10.1934 10.1934 11.4433 11.4433 11.6272 11.6272 11.7087 11.7087 11.9213 11.9213 12.4299 12.4299 15.4812 15.4812 15.8053 15.8053 16.0081 16.0081 16.3610 16.3610 k = 0.2734 0.2734 0.2227 ( 3208 PWs) bands (ev): -53.8346 -53.8346 -53.8346 -53.8346 -26.7552 -26.7552 -26.7546 -26.7546 -18.1276 -18.1276 -18.1274 -18.1274 -18.0802 -18.0802 -18.0779 -18.0779 1.7429 1.7429 2.9009 2.9009 3.8915 3.8915 7.4143 7.4143 7.8620 7.8620 8.8625 8.8625 9.4863 9.4863 9.7749 9.7749 10.2844 10.2844 11.5538 11.5538 11.6455 11.6455 11.7460 11.7460 11.9312 11.9312 12.4940 12.4940 15.5101 15.5101 15.7857 15.7857 16.0602 16.0602 16.3296 16.3296 k = 0.2656 0.2656 0.2227 ( 3198 PWs) bands (ev): -53.8347 -53.8347 -53.8347 -53.8347 -26.7543 -26.7543 -26.7537 -26.7537 -18.1241 -18.1241 -18.1239 -18.1239 -18.0798 -18.0798 -18.0773 -18.0773 1.6690 1.6690 2.8174 2.8174 3.8927 3.8927 7.4835 7.4835 7.9223 7.9223 8.9179 8.9179 9.4256 9.4256 9.7521 9.7521 10.3754 10.3754 11.6161 11.6161 11.6711 11.6711 11.8213 11.8213 11.9420 11.9420 12.5588 12.5588 15.5347 15.5347 15.7639 15.7639 16.1248 16.1248 16.2991 16.2991 k = 0.2578 0.2578 0.2227 ( 3192 PWs) bands (ev): -53.8349 -53.8349 -53.8349 -53.8349 -26.7535 -26.7535 -26.7528 -26.7528 -18.1206 -18.1206 -18.1204 -18.1204 -18.0793 -18.0793 -18.0768 -18.0768 1.5959 1.5959 2.7336 2.7336 3.8951 3.8951 7.5548 7.5548 7.9803 7.9803 8.9740 8.9740 9.3715 9.3715 9.7338 9.7338 10.4658 10.4658 11.6418 11.6418 11.6950 11.6950 11.9209 11.9209 11.9648 11.9648 12.6241 12.6241 15.5458 15.5458 15.7543 15.7543 16.1902 16.1902 16.2741 16.2741 k = 0.2500 0.2500 0.2227 ( 3192 PWs) bands (ev): -53.8350 -53.8350 -53.8350 -53.8350 -26.7527 -26.7527 -26.7520 -26.7520 -18.1172 -18.1172 -18.1170 -18.1170 -18.0788 -18.0788 -18.0762 -18.0762 1.5236 1.5236 2.6501 2.6501 3.8980 3.8980 7.6280 7.6280 8.0346 8.0346 9.0302 9.0302 9.3261 9.3261 9.7205 9.7205 10.5547 10.5547 11.6579 11.6579 11.7132 11.7132 11.9546 11.9546 12.0672 12.0672 12.6898 12.6898 15.5351 15.5351 15.7661 15.7661 16.2141 16.2141 16.2935 16.2935 k = 0.2422 0.2422 0.2227 ( 3188 PWs) bands (ev): -53.8352 -53.8352 -53.8352 -53.8352 -26.7518 -26.7518 -26.7512 -26.7512 -18.1137 -18.1137 -18.1134 -18.1134 -18.0783 -18.0783 -18.0757 -18.0757 1.4523 1.4523 2.5674 2.5674 3.9010 3.9010 7.7030 7.7030 8.0836 8.0836 9.0848 9.0848 9.2926 9.2926 9.7126 9.7126 10.6414 10.6414 11.6713 11.6713 11.7285 11.7285 11.9698 11.9698 12.1925 12.1925 12.7557 12.7557 15.5053 15.5053 15.7955 15.7955 16.1900 16.1900 16.3614 16.3614 k = 0.2344 0.2344 0.2227 ( 3184 PWs) bands (ev): -53.8354 -53.8354 -53.8353 -53.8353 -26.7510 -26.7510 -26.7503 -26.7503 -18.1101 -18.1101 -18.1099 -18.1099 -18.0778 -18.0778 -18.0752 -18.0752 1.3821 1.3821 2.4859 2.4859 3.9036 3.9036 7.7798 7.7798 8.1252 8.1252 9.1341 9.1341 9.2767 9.2767 9.7101 9.7101 10.7251 10.7251 11.6837 11.6837 11.7424 11.7424 11.9869 11.9869 12.3182 12.3182 12.8219 12.8219 15.4641 15.4641 15.8323 15.8323 16.1595 16.1595 16.4344 16.4344 k = 0.2266 0.2266 0.2227 ( 3184 PWs) bands (ev): -53.8355 -53.8355 -53.8355 -53.8355 -26.7502 -26.7502 -26.7495 -26.7495 -18.1067 -18.1067 -18.1064 -18.1064 -18.0773 -18.0773 -18.0746 -18.0746 1.3132 1.3132 2.4059 2.4059 3.9055 3.9055 7.8582 7.8582 8.1577 8.1577 9.1704 9.1704 9.2877 9.2877 9.7132 9.7132 10.8047 10.8047 11.6953 11.6953 11.7555 11.7555 12.0080 12.0080 12.4418 12.4418 12.8884 12.8884 15.4167 15.4167 15.8675 15.8675 16.1277 16.1277 16.5049 16.5049 k = 0.2188 0.2187 0.2227 ( 3184 PWs) bands (ev): -53.8357 -53.8357 -53.8357 -53.8357 -26.7494 -26.7494 -26.7487 -26.7487 -18.1032 -18.1032 -18.1029 -18.1029 -18.0768 -18.0768 -18.0741 -18.0741 1.2457 1.2457 2.3275 2.3275 3.9066 3.9066 7.9378 7.9378 8.1800 8.1800 9.1939 9.1939 9.3267 9.3267 9.7221 9.7221 10.8792 10.8792 11.7061 11.7061 11.7680 11.7680 12.0346 12.0346 12.5621 12.5621 12.9553 12.9553 15.3657 15.3657 15.8929 15.8929 16.0956 16.0956 16.5698 16.5698 k = 0.2109 0.2109 0.2227 ( 3184 PWs) bands (ev): -53.8359 -53.8359 -53.8358 -53.8358 -26.7486 -26.7486 -26.7478 -26.7478 -18.0998 -18.0998 -18.0994 -18.0994 -18.0763 -18.0763 -18.0735 -18.0735 1.1796 1.1796 2.2511 2.2511 3.9068 3.9068 8.0174 8.0174 8.1923 8.1923 9.2179 9.2179 9.3810 9.3810 9.7368 9.7368 10.9474 10.9474 11.7161 11.7161 11.7801 11.7801 12.0681 12.0681 12.6782 12.6782 13.0229 13.0229 15.3123 15.3123 15.9003 15.9003 16.0635 16.0635 16.6257 16.6257 k = 0.2031 0.2031 0.2227 ( 3184 PWs) bands (ev): -53.8360 -53.8360 -53.8360 -53.8360 -26.7478 -26.7478 -26.7471 -26.7471 -18.0964 -18.0964 -18.0960 -18.0960 -18.0757 -18.0757 -18.0731 -18.0731 1.1151 1.1151 2.1767 2.1767 3.9059 3.9059 8.0922 8.0922 8.1997 8.1997 9.2506 9.2506 9.4417 9.4417 9.7574 9.7574 11.0085 11.0085 11.7250 11.7250 11.7915 11.7915 12.1097 12.1097 12.7895 12.7895 13.0919 13.0919 15.2575 15.2575 15.8828 15.8828 16.0316 16.0316 16.6689 16.6689 k = 0.1953 0.1953 0.2227 ( 3196 PWs) bands (ev): -53.8362 -53.8362 -53.8362 -53.8362 -26.7471 -26.7471 -26.7463 -26.7463 -18.0932 -18.0932 -18.0927 -18.0927 -18.0752 -18.0752 -18.0726 -18.0726 1.0523 1.0523 2.1044 2.1044 3.9039 3.9039 8.1371 8.1371 8.2285 8.2285 9.2941 9.2941 9.5053 9.5053 9.7840 9.7840 11.0618 11.0618 11.7326 11.7326 11.8021 11.8021 12.1602 12.1602 12.8947 12.8947 13.1628 13.1628 15.2017 15.2017 15.8379 15.8379 16.0000 16.0000 16.6830 16.6830 k = 0.1875 0.1875 0.2227 ( 3178 PWs) bands (ev): -53.8363 -53.8363 -53.8363 -53.8363 -26.7462 -26.7462 -26.7454 -26.7454 -18.0899 -18.0899 -18.0892 -18.0892 -18.0744 -18.0744 -18.0719 -18.0719 0.9912 0.9912 2.0344 2.0344 3.9009 3.9009 8.1334 8.1334 8.2994 8.2994 9.3474 9.3474 9.5706 9.5706 9.8164 9.8164 11.1068 11.1068 11.7387 11.7387 11.8117 11.8117 12.2202 12.2202 12.9929 12.9929 13.2365 13.2365 15.1455 15.1455 15.7687 15.7687 15.9690 15.9690 16.6857 16.6857 k = 0.1797 0.1797 0.2227 ( 3178 PWs) bands (ev): -53.8365 -53.8365 -53.8365 -53.8365 -26.7455 -26.7455 -26.7446 -26.7446 -18.0868 -18.0868 -18.0860 -18.0860 -18.0737 -18.0737 -18.0713 -18.0713 0.9321 0.9321 1.9668 1.9668 3.8968 3.8968 8.1108 8.1108 8.3842 8.3842 9.4090 9.4090 9.6368 9.6368 9.8548 9.8548 11.1439 11.1439 11.7430 11.7430 11.8200 11.8200 12.2895 12.2895 13.0829 13.0829 13.3137 13.3137 15.0894 15.0894 15.6816 15.6816 15.9386 15.9386 16.6878 16.6878 k = 0.1719 0.1719 0.2227 ( 3182 PWs) bands (ev): -53.8366 -53.8366 -53.8366 -53.8366 -26.7448 -26.7448 -26.7439 -26.7439 -18.0840 -18.0840 -18.0828 -18.0828 -18.0729 -18.0729 -18.0708 -18.0708 0.8748 0.8748 1.9015 1.9015 3.8918 3.8918 8.0808 8.0808 8.4733 8.4733 9.4771 9.4771 9.7036 9.7036 9.8989 9.8989 11.1735 11.1735 11.7451 11.7451 11.8267 11.8267 12.3676 12.3676 13.1644 13.1644 13.3943 13.3943 15.0338 15.0338 15.5829 15.5829 15.9090 15.9090 16.6554 16.6554 k = 0.1641 0.1641 0.2227 ( 3182 PWs) bands (ev): -53.8368 -53.8368 -53.8368 -53.8368 -26.7441 -26.7441 -26.7432 -26.7432 -18.0814 -18.0814 -18.0798 -18.0798 -18.0719 -18.0719 -18.0702 -18.0702 0.8196 0.8196 1.8388 1.8388 3.8859 3.8859 8.0468 8.0468 8.5649 8.5649 9.5502 9.5502 9.7707 9.7707 9.9487 9.9487 11.1966 11.1966 11.7447 11.7447 11.8316 11.8316 12.4535 12.4535 13.2376 13.2376 13.4772 13.4772 14.9791 14.9791 15.4778 15.4778 15.8804 15.8804 16.6099 16.6099 k = 0.1562 0.1562 0.2227 ( 3178 PWs) bands (ev): -53.8369 -53.8369 -53.8369 -53.8369 -26.7434 -26.7434 -26.7425 -26.7425 -18.0791 -18.0791 -18.0768 -18.0768 -18.0705 -18.0705 -18.0696 -18.0696 0.7665 0.7665 1.7786 1.7786 3.8792 3.8792 8.0103 8.0103 8.6583 8.6583 9.6268 9.6268 9.8382 9.8382 10.0038 10.0038 11.2140 11.2140 11.7415 11.7415 11.8345 11.8345 12.5459 12.5459 13.3035 13.3035 13.5608 13.5608 14.9259 14.9259 15.3706 15.3706 15.8530 15.8530 16.5561 16.5561 k = 0.1484 0.1484 0.2227 ( 3170 PWs) bands (ev): -53.8370 -53.8370 -53.8370 -53.8370 -26.7426 -26.7426 -26.7417 -26.7417 -18.0773 -18.0773 -18.0741 -18.0741 -18.0689 -18.0689 -18.0687 -18.0687 0.7155 0.7155 1.7211 1.7211 3.8718 3.8718 7.9728 7.9728 8.7533 8.7533 9.7060 9.7060 9.9062 9.9062 10.0638 10.0638 11.2268 11.2268 11.7351 11.7351 11.8351 11.8351 12.6436 12.6436 13.3628 13.3628 13.6431 13.6431 14.8746 14.8746 15.2649 15.2649 15.8269 15.8269 16.4975 16.4975 k = 0.1406 0.1406 0.2227 ( 3168 PWs) bands (ev): -53.8372 -53.8372 -53.8372 -53.8372 -26.7420 -26.7420 -26.7411 -26.7411 -18.0759 -18.0759 -18.0718 -18.0718 -18.0677 -18.0677 -18.0668 -18.0668 0.6668 0.6668 1.6662 1.6662 3.8639 3.8639 7.9349 7.9349 8.8497 8.8497 9.7868 9.7868 9.9747 9.9747 10.1282 10.1282 11.2356 11.2356 11.7252 11.7252 11.8335 11.8335 12.7452 12.7452 13.4159 13.4159 13.7223 13.7223 14.8255 14.8255 15.1640 15.1640 15.8022 15.8022 16.4363 16.4363 k = 0.1328 0.1328 0.2227 ( 3168 PWs) bands (ev): -53.8373 -53.8373 -53.8373 -53.8373 -26.7413 -26.7413 -26.7404 -26.7404 -18.0749 -18.0749 -18.0704 -18.0704 -18.0659 -18.0659 -18.0646 -18.0646 0.6204 0.6204 1.6140 1.6140 3.8555 3.8555 7.8973 7.8973 8.9473 8.9473 9.8683 9.8683 10.0441 10.0441 10.1963 10.1963 11.2413 11.2413 11.7112 11.7112 11.8292 11.8292 12.8491 12.8491 13.4625 13.4625 13.7965 13.7965 14.7790 14.7790 15.0717 15.0717 15.7791 15.7791 16.3740 16.3740 k = 0.1250 0.1250 0.2227 ( 3172 PWs) bands (ev): -53.8375 -53.8375 -53.8374 -53.8374 -26.7408 -26.7408 -26.7398 -26.7398 -18.0742 -18.0742 -18.0694 -18.0694 -18.0638 -18.0638 -18.0623 -18.0623 0.5763 0.5763 1.5645 1.5645 3.8467 3.8467 7.8605 7.8605 9.0459 9.0459 9.9499 9.9499 10.1145 10.1145 10.2675 10.2675 11.2444 11.2444 11.6928 11.6928 11.8223 11.8223 12.9536 12.9536 13.5020 13.5020 13.8644 13.8644 14.7358 14.7358 14.9916 14.9916 15.7576 15.7576 16.3117 16.3117 k = 0.1172 0.1172 0.2227 ( 3176 PWs) bands (ev): -53.8376 -53.8376 -53.8375 -53.8375 -26.7403 -26.7403 -26.7392 -26.7392 -18.0736 -18.0736 -18.0688 -18.0688 -18.0615 -18.0615 -18.0600 -18.0600 0.5346 0.5346 1.5179 1.5179 3.8378 3.8378 7.8248 7.8248 9.1455 9.1455 10.0310 10.0310 10.1859 10.1859 10.3414 10.3414 11.2454 11.2454 11.6697 11.6697 11.8125 11.8125 13.0563 13.0563 13.5334 13.5334 13.9247 13.9247 14.6966 14.6966 14.9276 14.9276 15.7378 15.7378 16.2501 16.2501 k = 0.1094 0.1094 0.2227 ( 3168 PWs) bands (ev): -53.8377 -53.8377 -53.8376 -53.8376 -26.7397 -26.7397 -26.7387 -26.7387 -18.0730 -18.0730 -18.0683 -18.0683 -18.0591 -18.0591 -18.0576 -18.0576 0.4954 0.4954 1.4741 1.4741 3.8288 3.8288 7.7906 7.7906 9.2460 9.2460 10.1111 10.1111 10.2584 10.2584 10.4176 10.4176 11.2447 11.2447 11.6416 11.6416 11.7997 11.7997 13.1531 13.1531 13.5571 13.5571 13.9771 13.9771 14.6631 14.6631 14.8823 14.8823 15.7197 15.7197 16.1898 16.1898 k = 0.1016 0.1016 0.2227 ( 3168 PWs) bands (ev): -53.8378 -53.8378 -53.8377 -53.8377 -26.7392 -26.7392 -26.7382 -26.7382 -18.0726 -18.0726 -18.0679 -18.0679 -18.0569 -18.0569 -18.0555 -18.0555 0.4587 0.4587 1.4331 1.4331 3.8198 3.8198 7.7581 7.7581 9.3471 9.3471 10.1898 10.1898 10.3315 10.3315 10.4957 10.4957 11.2424 11.2424 11.6083 11.6083 11.7838 11.7838 13.2362 13.2362 13.5767 13.5767 14.0226 14.0226 14.6371 14.6371 14.8567 14.8567 15.7032 15.7032 16.1311 16.1311 k = 0.0938 0.0937 0.2227 ( 3176 PWs) bands (ev): -53.8379 -53.8379 -53.8379 -53.8379 -26.7387 -26.7387 -26.7378 -26.7378 -18.0722 -18.0722 -18.0676 -18.0676 -18.0548 -18.0548 -18.0535 -18.0535 0.4245 0.4245 1.3951 1.3951 3.8111 3.8111 7.7275 7.7275 9.4488 9.4488 10.2666 10.2666 10.4051 10.4051 10.5754 10.5754 11.2387 11.2387 11.5697 11.5697 11.7649 11.7649 13.2911 13.2911 13.6038 13.6038 14.0636 14.0636 14.6197 14.6197 14.8505 14.8505 15.6880 15.6880 16.0744 16.0744 k = 0.0859 0.0859 0.2227 ( 3174 PWs) bands (ev): -53.8380 -53.8380 -53.8379 -53.8379 -26.7383 -26.7383 -26.7373 -26.7373 -18.0718 -18.0718 -18.0672 -18.0672 -18.0528 -18.0528 -18.0515 -18.0515 0.3929 0.3929 1.3600 1.3600 3.8025 3.8025 7.6989 7.6989 9.5507 9.5507 10.3411 10.3411 10.4787 10.4787 10.6563 10.6563 11.2338 11.2338 11.5256 11.5256 11.7428 11.7428 13.3028 13.3028 13.6523 13.6523 14.1033 14.1033 14.6100 14.6100 14.8618 14.8618 15.6740 15.6740 16.0198 16.0198 k = 0.0781 0.0781 0.2227 ( 3170 PWs) bands (ev): -53.8380 -53.8380 -53.8380 -53.8380 -26.7378 -26.7378 -26.7369 -26.7369 -18.0715 -18.0715 -18.0669 -18.0669 -18.0509 -18.0509 -18.0496 -18.0496 0.3639 0.3639 1.3279 1.3279 3.7944 3.7944 7.6725 7.6725 9.6529 9.6529 10.4129 10.4129 10.5519 10.5519 10.7379 10.7379 11.2277 11.2277 11.4763 11.4763 11.7176 11.7176 13.2736 13.2736 13.7208 13.7208 14.1446 14.1446 14.6069 14.6069 14.8879 14.8879 15.6607 15.6607 15.9674 15.9674 k = 0.0703 0.0703 0.2227 ( 3180 PWs) bands (ev): -53.8381 -53.8381 -53.8381 -53.8381 -26.7375 -26.7375 -26.7366 -26.7366 -18.0712 -18.0712 -18.0667 -18.0667 -18.0492 -18.0492 -18.0481 -18.0481 0.3376 0.3376 1.2987 1.2987 3.7867 3.7867 7.6484 7.6484 9.7549 9.7549 10.4817 10.4817 10.6242 10.6242 10.8196 10.8196 11.2206 11.2206 11.4218 11.4218 11.6895 11.6895 13.2172 13.2172 13.7968 13.7968 14.1901 14.1901 14.6091 14.6091 14.9257 14.9257 15.6473 15.6473 15.9171 15.9171 k = 0.0625 0.0625 0.2227 ( 3178 PWs) bands (ev): -53.8382 -53.8382 -53.8382 -53.8382 -26.7372 -26.7372 -26.7362 -26.7362 -18.0710 -18.0710 -18.0665 -18.0665 -18.0477 -18.0477 -18.0465 -18.0465 0.3140 0.3140 1.2725 1.2725 3.7796 3.7796 7.6266 7.6266 9.8566 9.8566 10.5468 10.5468 10.6954 10.6954 10.9004 10.9004 11.2125 11.2125 11.3629 11.3629 11.6586 11.6586 13.1452 13.1452 13.8704 13.8704 14.2415 14.2415 14.6158 14.6158 14.9720 14.9720 15.6330 15.6330 15.8687 15.8687 k = 0.0547 0.0547 0.2227 ( 3182 PWs) bands (ev): -53.8383 -53.8383 -53.8383 -53.8383 -26.7369 -26.7369 -26.7359 -26.7359 -18.0707 -18.0707 -18.0663 -18.0663 -18.0464 -18.0464 -18.0452 -18.0452 0.2930 0.2930 1.2494 1.2494 3.7731 3.7731 7.6072 7.6072 9.9575 9.9575 10.6079 10.6079 10.7651 10.7651 10.9784 10.9784 11.2034 11.2034 11.3003 11.3003 11.6255 11.6255 13.0652 13.0652 13.9356 13.9356 14.2998 14.2998 14.6263 14.6263 15.0245 15.0245 15.6164 15.6164 15.8212 15.8212 k = 0.0469 0.0469 0.2227 ( 3174 PWs) bands (ev): -53.8383 -53.8383 -53.8383 -53.8383 -26.7365 -26.7365 -26.7356 -26.7356 -18.0705 -18.0705 -18.0661 -18.0661 -18.0451 -18.0451 -18.0440 -18.0440 0.2749 0.2749 1.2293 1.2293 3.7674 3.7674 7.5903 7.5903 10.0573 10.0573 10.6642 10.6642 10.8327 10.8327 11.0502 11.0502 11.1923 11.1923 11.2377 11.2377 11.5908 11.5908 12.9824 12.9824 13.9897 13.9897 14.3641 14.3641 14.6402 14.6402 15.0814 15.0814 15.5958 15.5958 15.7739 15.7739 k = 0.0391 0.0391 0.2227 ( 3178 PWs) bands (ev): -53.8384 -53.8384 -53.8384 -53.8384 -26.7363 -26.7363 -26.7354 -26.7354 -18.0703 -18.0703 -18.0659 -18.0659 -18.0441 -18.0441 -18.0430 -18.0430 0.2595 0.2595 1.2123 1.2123 3.7624 3.7624 7.5759 7.5759 10.1551 10.1551 10.7151 10.7151 10.8973 10.8973 11.1038 11.1038 11.1611 11.1611 11.2040 11.2040 11.5560 11.5560 12.9013 12.9013 14.0324 14.0324 14.4309 14.4309 14.6572 14.6572 15.1411 15.1411 15.5693 15.5693 15.7256 15.7256 k = 0.0312 0.0312 0.2227 ( 3178 PWs) bands (ev): -53.8384 -53.8384 -53.8384 -53.8384 -26.7361 -26.7361 -26.7353 -26.7353 -18.0702 -18.0702 -18.0659 -18.0659 -18.0432 -18.0432 -18.0422 -18.0422 0.2468 0.2468 1.1984 1.1984 3.7583 3.7583 7.5641 7.5641 10.2501 10.2501 10.7596 10.7596 10.9560 10.9560 11.0798 11.0798 11.1503 11.1503 11.2178 11.2178 11.5235 11.5235 12.8257 12.8257 14.0650 14.0650 14.4946 14.4946 14.6780 14.6780 15.2028 15.2028 15.5358 15.5358 15.6758 15.6758 k = 0.0234 0.0234 0.2227 ( 3182 PWs) bands (ev): -53.8384 -53.8384 -53.8384 -53.8384 -26.7360 -26.7360 -26.7352 -26.7352 -18.0701 -18.0701 -18.0658 -18.0658 -18.0426 -18.0426 -18.0416 -18.0416 0.2370 0.2370 1.1875 1.1875 3.7550 3.7550 7.5549 7.5549 10.3401 10.3401 10.7961 10.7961 10.9806 10.9806 11.0457 11.0457 11.1499 11.1499 11.2456 11.2456 11.4980 11.4980 12.7600 12.7600 14.0889 14.0889 14.5478 14.5478 14.7037 14.7037 15.2654 15.2654 15.4968 15.4968 15.6248 15.6248 k = 0.0156 0.0156 0.2227 ( 3176 PWs) bands (ev): -53.8385 -53.8385 -53.8384 -53.8384 -26.7358 -26.7358 -26.7351 -26.7351 -18.0700 -18.0700 -18.0657 -18.0657 -18.0421 -18.0421 -18.0411 -18.0411 0.2299 0.2299 1.1798 1.1798 3.7526 3.7526 7.5483 7.5483 10.4213 10.4213 10.8215 10.8215 10.9322 10.9322 11.0783 11.0783 11.1508 11.1508 11.2566 11.2566 11.4845 11.4845 12.7084 12.7084 14.1052 14.1052 14.5846 14.5846 14.7329 14.7329 15.3277 15.3277 15.4587 15.4587 15.5719 15.5719 k = 0.0078 0.0078 0.2227 ( 3176 PWs) bands (ev): -53.8385 -53.8385 -53.8384 -53.8384 -26.7358 -26.7358 -26.7350 -26.7350 -18.0699 -18.0699 -18.0657 -18.0657 -18.0418 -18.0418 -18.0408 -18.0408 0.2257 0.2257 1.1751 1.1751 3.7512 3.7512 7.5443 7.5443 10.4841 10.4841 10.8279 10.8279 10.8916 10.8916 11.1017 11.1017 11.1691 11.1691 11.2441 11.2441 11.4823 11.4823 12.6752 12.6752 14.1147 14.1147 14.6046 14.6046 14.7578 14.7578 15.3859 15.3859 15.4331 15.4331 15.5167 15.5167 k = 0.0000 0.0000 0.2227 ( 3176 PWs) bands (ev): -53.8385 -53.8385 -53.8384 -53.8384 -26.7358 -26.7358 -26.7350 -26.7350 -18.0699 -18.0699 -18.0657 -18.0657 -18.0417 -18.0417 -18.0407 -18.0407 0.2243 0.2243 1.1736 1.1736 3.7507 3.7507 7.5430 7.5430 10.5097 10.5097 10.8213 10.8213 10.8820 10.8820 11.1062 11.1062 11.1916 11.1916 11.2259 11.2259 11.4831 11.4831 12.6637 12.6637 14.1179 14.1179 14.6108 14.6108 14.7677 14.7677 15.4069 15.4069 15.4522 15.4522 15.4680 15.4680 k = 0.0000 0.5000-0.0000 ( 3178 PWs) bands (ev): -53.8350 -53.8350 -53.8350 -53.8350 -26.7527 -26.7527 -26.7527 -26.7527 -18.1563 -18.1563 -18.1563 -18.1563 -18.0403 -18.0403 -18.0403 -18.0403 2.5735 2.5735 2.5735 2.5735 4.3593 4.3593 4.3593 4.3593 7.7844 7.7844 7.7844 7.7844 11.3426 11.3426 11.3426 11.3426 11.5542 11.5542 11.5542 11.5542 11.9716 11.9716 11.9716 11.9716 12.9025 12.9025 12.9025 12.9025 15.5239 15.5239 15.5239 15.5239 16.7917 16.7917 16.7917 16.7917 k = 0.0000 0.5000 0.0111 ( 3188 PWs) bands (ev): -53.8350 -53.8350 -53.8350 -53.8350 -26.7527 -26.7527 -26.7527 -26.7527 -18.1563 -18.1563 -18.1563 -18.1563 -18.0403 -18.0403 -18.0403 -18.0403 2.5739 2.5739 2.5739 2.5739 4.3580 4.3580 4.3580 4.3580 7.7878 7.7878 7.7878 7.7878 11.3346 11.3346 11.3346 11.3346 11.5535 11.5535 11.5535 11.5535 11.9742 11.9742 11.9742 11.9742 12.9053 12.9053 12.9053 12.9053 15.5257 15.5257 15.5257 15.5257 16.7948 16.7948 16.7948 16.7948 k = 0.0000 0.5000 0.0223 ( 3188 PWs) bands (ev): -53.8350 -53.8350 -53.8350 -53.8350 -26.7527 -26.7527 -26.7527 -26.7527 -18.1563 -18.1563 -18.1563 -18.1563 -18.0403 -18.0403 -18.0403 -18.0403 2.5749 2.5749 2.5749 2.5749 4.3541 4.3541 4.3541 4.3541 7.7979 7.7979 7.7979 7.7979 11.3112 11.3112 11.3112 11.3112 11.5513 11.5513 11.5513 11.5513 11.9818 11.9818 11.9818 11.9818 12.9134 12.9134 12.9134 12.9134 15.5311 15.5311 15.5311 15.5311 16.8030 16.8030 16.8030 16.8030 k = 0.0000 0.5000 0.0334 ( 3200 PWs) bands (ev): -53.8350 -53.8350 -53.8350 -53.8350 -26.7528 -26.7528 -26.7528 -26.7528 -18.1564 -18.1564 -18.1564 -18.1564 -18.0404 -18.0404 -18.0404 -18.0404 2.5767 2.5767 2.5767 2.5767 4.3478 4.3478 4.3478 4.3478 7.8147 7.8147 7.8147 7.8147 11.2743 11.2743 11.2743 11.2743 11.5475 11.5475 11.5475 11.5475 11.9930 11.9930 11.9930 11.9930 12.9268 12.9268 12.9268 12.9268 15.5399 15.5399 15.5399 15.5399 16.8128 16.8128 16.8128 16.8128 k = 0.0000 0.5000 0.0445 ( 3208 PWs) bands (ev): -53.8351 -53.8351 -53.8351 -53.8351 -26.7529 -26.7529 -26.7529 -26.7529 -18.1565 -18.1565 -18.1565 -18.1565 -18.0404 -18.0404 -18.0404 -18.0404 2.5790 2.5790 2.5790 2.5790 4.3393 4.3393 4.3393 4.3393 7.8378 7.8378 7.8378 7.8378 11.2261 11.2261 11.2261 11.2261 11.5419 11.5419 11.5419 11.5419 12.0066 12.0066 12.0066 12.0066 12.9450 12.9450 12.9450 12.9450 15.5522 15.5522 15.5522 15.5522 16.8158 16.8158 16.8158 16.8158 k = 0.0000 0.5000 0.0557 ( 3204 PWs) bands (ev): -53.8350 -53.8350 -53.8350 -53.8350 -26.7528 -26.7528 -26.7528 -26.7528 -18.1565 -18.1565 -18.1565 -18.1565 -18.0404 -18.0404 -18.0404 -18.0404 2.5820 2.5820 2.5820 2.5820 4.3287 4.3287 4.3287 4.3287 7.8669 7.8669 7.8669 7.8669 11.1687 11.1687 11.1687 11.1687 11.5346 11.5346 11.5346 11.5346 12.0212 12.0212 12.0212 12.0212 12.9677 12.9677 12.9677 12.9677 15.5677 15.5677 15.5677 15.5677 16.7960 16.7960 16.7960 16.7960 k = 0.0000 0.5000 0.0668 ( 3200 PWs) bands (ev): -53.8350 -53.8350 -53.8350 -53.8350 -26.7528 -26.7528 -26.7528 -26.7528 -18.1564 -18.1564 -18.1564 -18.1564 -18.0403 -18.0403 -18.0403 -18.0403 2.5856 2.5856 2.5856 2.5856 4.3164 4.3164 4.3164 4.3164 7.9015 7.9015 7.9015 7.9015 11.1040 11.1040 11.1040 11.1040 11.5260 11.5260 11.5260 11.5260 12.0357 12.0357 12.0357 12.0357 12.9942 12.9942 12.9942 12.9942 15.5863 15.5863 15.5863 15.5863 16.7439 16.7439 16.7439 16.7439 k = 0.0000 0.5000 0.0779 ( 3196 PWs) bands (ev): -53.8350 -53.8350 -53.8350 -53.8350 -26.7528 -26.7528 -26.7528 -26.7528 -18.1564 -18.1564 -18.1564 -18.1564 -18.0403 -18.0403 -18.0403 -18.0403 2.5896 2.5896 2.5896 2.5896 4.3026 4.3026 4.3026 4.3026 7.9412 7.9412 7.9412 7.9412 11.0336 11.0336 11.0336 11.0336 11.5164 11.5164 11.5164 11.5164 12.0495 12.0495 12.0495 12.0495 13.0240 13.0240 13.0240 13.0240 15.6077 15.6077 15.6077 15.6077 16.6699 16.6699 16.6699 16.6699 k = 0.0000 0.5000 0.0891 ( 3192 PWs) bands (ev): -53.8350 -53.8350 -53.8350 -53.8350 -26.7528 -26.7528 -26.7528 -26.7528 -18.1564 -18.1564 -18.1564 -18.1564 -18.0403 -18.0403 -18.0403 -18.0403 2.5939 2.5939 2.5939 2.5939 4.2878 4.2878 4.2878 4.2878 7.9853 7.9853 7.9853 7.9853 10.9591 10.9591 10.9591 10.9591 11.5061 11.5061 11.5061 11.5061 12.0621 12.0621 12.0621 12.0621 13.0565 13.0565 13.0565 13.0565 15.6315 15.6315 15.6315 15.6315 16.5864 16.5864 16.5864 16.5864 k = 0.0000 0.5000 0.1002 ( 3200 PWs) bands (ev): -53.8350 -53.8350 -53.8350 -53.8350 -26.7528 -26.7528 -26.7528 -26.7528 -18.1565 -18.1565 -18.1565 -18.1565 -18.0403 -18.0403 -18.0403 -18.0403 2.5986 2.5986 2.5986 2.5986 4.2723 4.2723 4.2723 4.2723 8.0331 8.0331 8.0331 8.0331 10.8817 10.8817 10.8817 10.8817 11.4954 11.4954 11.4954 11.4954 12.0733 12.0733 12.0733 12.0733 13.0909 13.0909 13.0909 13.0909 15.6572 15.6572 15.6572 15.6572 16.4999 16.4999 16.4999 16.4999 k = 0.0000 0.5000 0.1113 ( 3208 PWs) bands (ev): -53.8351 -53.8351 -53.8351 -53.8351 -26.7529 -26.7529 -26.7529 -26.7529 -18.1565 -18.1565 -18.1565 -18.1565 -18.0403 -18.0403 -18.0403 -18.0403 2.6034 2.6034 2.6034 2.6034 4.2566 4.2566 4.2566 4.2566 8.0837 8.0837 8.0837 8.0837 10.8030 10.8030 10.8030 10.8030 11.4847 11.4847 11.4847 11.4847 12.0830 12.0830 12.0830 12.0830 13.1265 13.1265 13.1265 13.1265 15.6843 15.6843 15.6843 15.6843 16.4141 16.4141 16.4141 16.4141 k = 0.0000 0.5000 0.1225 ( 3204 PWs) bands (ev): -53.8350 -53.8350 -53.8350 -53.8350 -26.7528 -26.7528 -26.7528 -26.7528 -18.1565 -18.1565 -18.1565 -18.1565 -18.0403 -18.0403 -18.0403 -18.0403 2.6083 2.6083 2.6083 2.6083 4.2408 4.2408 4.2408 4.2408 8.1362 8.1362 8.1362 8.1362 10.7242 10.7242 10.7242 10.7242 11.4743 11.4743 11.4743 11.4743 12.0912 12.0912 12.0912 12.0912 13.1626 13.1626 13.1626 13.1626 15.7119 15.7119 15.7119 15.7119 16.3313 16.3313 16.3313 16.3313 k = 0.0000 0.5000 0.1336 ( 3210 PWs) bands (ev): -53.8351 -53.8351 -53.8351 -53.8351 -26.7529 -26.7529 -26.7529 -26.7529 -18.1566 -18.1566 -18.1566 -18.1566 -18.0403 -18.0403 -18.0403 -18.0403 2.6131 2.6131 2.6131 2.6131 4.2256 4.2256 4.2256 4.2256 8.1895 8.1895 8.1895 8.1895 10.6466 10.6466 10.6466 10.6466 11.4643 11.4643 11.4643 11.4643 12.0981 12.0981 12.0981 12.0981 13.1983 13.1983 13.1983 13.1983 15.7394 15.7394 15.7394 15.7394 16.2529 16.2529 16.2529 16.2529 k = 0.0000 0.5000 0.1447 ( 3208 PWs) bands (ev): -53.8351 -53.8351 -53.8351 -53.8351 -26.7529 -26.7529 -26.7529 -26.7529 -18.1566 -18.1566 -18.1566 -18.1566 -18.0403 -18.0403 -18.0403 -18.0403 2.6177 2.6177 2.6177 2.6177 4.2112 4.2112 4.2112 4.2112 8.2424 8.2424 8.2424 8.2424 10.5718 10.5718 10.5718 10.5718 11.4550 11.4550 11.4550 11.4550 12.1037 12.1037 12.1037 12.1037 13.2328 13.2328 13.2328 13.2328 15.7659 15.7659 15.7659 15.7659 16.1807 16.1807 16.1807 16.1807 k = 0.0000 0.5000 0.1559 ( 3210 PWs) bands (ev): -53.8351 -53.8351 -53.8351 -53.8351 -26.7529 -26.7529 -26.7529 -26.7529 -18.1566 -18.1566 -18.1566 -18.1566 -18.0403 -18.0403 -18.0403 -18.0403 2.6221 2.6221 2.6221 2.6221 4.1979 4.1979 4.1979 4.1979 8.2936 8.2936 8.2936 8.2936 10.5014 10.5014 10.5014 10.5014 11.4466 11.4466 11.4466 11.4466 12.1081 12.1081 12.1081 12.1081 13.2652 13.2652 13.2652 13.2652 15.7904 15.7904 15.7904 15.7904 16.1159 16.1159 16.1159 16.1159 k = 0.0000 0.5000 0.1670 ( 3214 PWs) bands (ev): -53.8351 -53.8351 -53.8351 -53.8351 -26.7529 -26.7529 -26.7529 -26.7529 -18.1566 -18.1566 -18.1566 -18.1566 -18.0403 -18.0403 -18.0403 -18.0403 2.6260 2.6260 2.6260 2.6260 4.1862 4.1862 4.1862 4.1862 8.3413 8.3413 8.3413 8.3413 10.4371 10.4371 10.4371 10.4371 11.4393 11.4393 11.4393 11.4393 12.1116 12.1116 12.1116 12.1116 13.2946 13.2946 13.2946 13.2946 15.8116 15.8116 15.8116 15.8116 16.0599 16.0599 16.0599 16.0599 k = 0.0000 0.5000 0.1781 ( 3206 PWs) bands (ev): -53.8350 -53.8350 -53.8350 -53.8350 -26.7528 -26.7528 -26.7528 -26.7528 -18.1566 -18.1566 -18.1566 -18.1566 -18.0402 -18.0402 -18.0402 -18.0402 2.6294 2.6294 2.6294 2.6294 4.1761 4.1761 4.1761 4.1761 8.3840 8.3840 8.3840 8.3840 10.3808 10.3808 10.3808 10.3808 11.4331 11.4331 11.4331 11.4331 12.1143 12.1143 12.1143 12.1143 13.3202 13.3202 13.3202 13.3202 15.8284 15.8284 15.8284 15.8284 16.0144 16.0144 16.0144 16.0144 k = 0.0000 0.5000 0.1893 ( 3202 PWs) bands (ev): -53.8350 -53.8350 -53.8350 -53.8350 -26.7528 -26.7528 -26.7528 -26.7528 -18.1566 -18.1566 -18.1566 -18.1566 -18.0402 -18.0402 -18.0402 -18.0402 2.6321 2.6321 2.6321 2.6321 4.1681 4.1681 4.1681 4.1681 8.4198 8.4198 8.4198 8.4198 10.3343 10.3343 10.3343 10.3343 11.4282 11.4282 11.4282 11.4282 12.1162 12.1162 12.1162 12.1162 13.3411 13.3411 13.3411 13.3411 15.8394 15.8394 15.8394 15.8394 15.9808 15.9808 15.9808 15.9808 k = 0.0000 0.5000 0.2004 ( 3212 PWs) bands (ev): -53.8351 -53.8351 -53.8351 -53.8351 -26.7529 -26.7529 -26.7529 -26.7529 -18.1566 -18.1566 -18.1566 -18.1566 -18.0403 -18.0403 -18.0403 -18.0403 2.6341 2.6341 2.6341 2.6341 4.1622 4.1622 4.1622 4.1622 8.4469 8.4469 8.4469 8.4469 10.2994 10.2994 10.2994 10.2994 11.4246 11.4246 11.4246 11.4246 12.1175 12.1175 12.1175 12.1175 13.3566 13.3566 13.3566 13.3566 15.8442 15.8442 15.8442 15.8442 15.9597 15.9597 15.9597 15.9597 k = 0.0000 0.5000 0.2115 ( 3216 PWs) bands (ev): -53.8351 -53.8351 -53.8351 -53.8351 -26.7529 -26.7529 -26.7529 -26.7529 -18.1567 -18.1567 -18.1567 -18.1567 -18.0402 -18.0402 -18.0402 -18.0402 2.6353 2.6353 2.6353 2.6353 4.1586 4.1586 4.1586 4.1586 8.4639 8.4639 8.4639 8.4639 10.2778 10.2778 10.2778 10.2778 11.4225 11.4225 11.4225 11.4225 12.1183 12.1183 12.1183 12.1183 13.3661 13.3661 13.3661 13.3661 15.8446 15.8446 15.8446 15.8446 15.9494 15.9494 15.9494 15.9494 k = 0.0000 0.5000 0.2227 ( 3216 PWs) bands (ev): -53.8351 -53.8351 -53.8351 -53.8351 -26.7529 -26.7529 -26.7529 -26.7529 -18.1567 -18.1567 -18.1567 -18.1567 -18.0402 -18.0402 -18.0402 -18.0402 2.6357 2.6357 2.6357 2.6357 4.1574 4.1574 4.1574 4.1574 8.4696 8.4696 8.4696 8.4696 10.2705 10.2705 10.2705 10.2705 11.4217 11.4217 11.4217 11.4217 12.1186 12.1186 12.1186 12.1186 13.3693 13.3693 13.3693 13.3693 15.8442 15.8442 15.8442 15.8442 15.9466 15.9466 15.9466 15.9466 k = 0.5000 0.5000-0.0000 ( 3220 PWs) bands (ev): -53.8317 -53.8317 -53.8317 -53.8317 -26.7688 -26.7688 -26.7688 -26.7688 -18.1853 -18.1853 -18.1853 -18.1853 -18.0867 -18.0867 -18.0867 -18.0867 3.2148 3.2148 3.2148 3.2148 6.3697 6.3697 6.3697 6.3697 7.7211 7.7211 7.7211 7.7211 8.0863 8.0863 8.0863 8.0863 10.1323 10.1323 10.1323 10.1323 11.2719 11.2719 11.2719 11.2719 11.6705 11.6705 11.6705 11.6705 17.0000 17.0000 17.0000 17.0000 17.2021 17.2021 17.2021 17.2021 k = 0.5000 0.5000 0.0111 ( 3220 PWs) bands (ev): -53.8317 -53.8317 -53.8317 -53.8317 -26.7688 -26.7688 -26.7688 -26.7688 -18.1853 -18.1853 -18.1853 -18.1853 -18.0867 -18.0867 -18.0867 -18.0867 3.2150 3.2150 3.2150 3.2150 6.3699 6.3699 6.3699 6.3699 7.7179 7.7179 7.7179 7.7179 8.0857 8.0857 8.0857 8.0857 10.1389 10.1389 10.1389 10.1389 11.2725 11.2725 11.2725 11.2725 11.6704 11.6704 11.6704 11.6704 16.9984 16.9984 16.9984 16.9984 17.1993 17.1993 17.1993 17.1993 k = 0.5000 0.5000 0.0223 ( 3204 PWs) bands (ev): -53.8316 -53.8316 -53.8316 -53.8316 -26.7687 -26.7687 -26.7687 -26.7687 -18.1852 -18.1852 -18.1852 -18.1852 -18.0866 -18.0866 -18.0866 -18.0866 3.2157 3.2157 3.2157 3.2157 6.3703 6.3703 6.3703 6.3703 7.7084 7.7084 7.7084 7.7084 8.0839 8.0839 8.0839 8.0839 10.1583 10.1583 10.1583 10.1583 11.2743 11.2743 11.2743 11.2743 11.6700 11.6700 11.6700 11.6700 16.9928 16.9928 16.9928 16.9928 17.1894 17.1894 17.1894 17.1894 k = 0.5000 0.5000 0.0334 ( 3204 PWs) bands (ev): -53.8316 -53.8316 -53.8316 -53.8316 -26.7687 -26.7687 -26.7687 -26.7687 -18.1851 -18.1851 -18.1851 -18.1851 -18.0866 -18.0866 -18.0866 -18.0866 3.2169 3.2169 3.2169 3.2169 6.3709 6.3709 6.3709 6.3709 7.6929 7.6929 7.6929 7.6929 8.0811 8.0811 8.0811 8.0811 10.1901 10.1901 10.1901 10.1901 11.2773 11.2773 11.2773 11.2773 11.6694 11.6694 11.6694 11.6694 16.9792 16.9792 16.9792 16.9792 17.1676 17.1676 17.1676 17.1676 k = 0.5000 0.5000 0.0445 ( 3204 PWs) bands (ev): -53.8316 -53.8316 -53.8316 -53.8316 -26.7687 -26.7687 -26.7687 -26.7687 -18.1851 -18.1851 -18.1851 -18.1851 -18.0866 -18.0866 -18.0866 -18.0866 3.2184 3.2184 3.2184 3.2184 6.3718 6.3718 6.3718 6.3718 7.6721 7.6721 7.6721 7.6721 8.0775 8.0775 8.0775 8.0775 10.2331 10.2331 10.2331 10.2331 11.2814 11.2814 11.2814 11.2814 11.6685 11.6685 11.6685 11.6685 16.9445 16.9445 16.9445 16.9445 17.1284 17.1284 17.1284 17.1284 k = 0.5000 0.5000 0.0557 ( 3204 PWs) bands (ev): -53.8316 -53.8316 -53.8316 -53.8316 -26.7687 -26.7687 -26.7687 -26.7687 -18.1851 -18.1851 -18.1851 -18.1851 -18.0866 -18.0866 -18.0866 -18.0866 3.2203 3.2203 3.2203 3.2203 6.3729 6.3729 6.3729 6.3729 7.6468 7.6468 7.6468 7.6468 8.0732 8.0732 8.0732 8.0732 10.2863 10.2863 10.2863 10.2863 11.2868 11.2868 11.2868 11.2868 11.6674 11.6674 11.6674 11.6674 16.8613 16.8613 16.8613 16.8613 17.0865 17.0865 17.0865 17.0865 k = 0.5000 0.5000 0.0668 ( 3204 PWs) bands (ev): -53.8316 -53.8316 -53.8316 -53.8316 -26.7687 -26.7687 -26.7687 -26.7687 -18.1852 -18.1852 -18.1852 -18.1852 -18.0866 -18.0866 -18.0866 -18.0866 3.2226 3.2226 3.2226 3.2226 6.3742 6.3742 6.3742 6.3742 7.6180 7.6180 7.6180 7.6180 8.0684 8.0684 8.0684 8.0684 10.3481 10.3481 10.3481 10.3481 11.2932 11.2932 11.2932 11.2932 11.6661 11.6661 11.6661 11.6661 16.7256 16.7256 16.7256 16.7256 17.0628 17.0628 17.0628 17.0628 k = 0.5000 0.5000 0.0779 ( 3204 PWs) bands (ev): -53.8316 -53.8316 -53.8316 -53.8316 -26.7687 -26.7687 -26.7687 -26.7687 -18.1852 -18.1852 -18.1852 -18.1852 -18.0866 -18.0866 -18.0866 -18.0866 3.2251 3.2251 3.2251 3.2251 6.3756 6.3756 6.3756 6.3756 7.5865 7.5865 7.5865 7.5865 8.0634 8.0634 8.0634 8.0634 10.4171 10.4171 10.4171 10.4171 11.3009 11.3009 11.3009 11.3009 11.6646 11.6646 11.6646 11.6646 16.5637 16.5637 16.5637 16.5637 17.0516 17.0516 17.0516 17.0516 k = 0.5000 0.5000 0.0891 ( 3204 PWs) bands (ev): -53.8316 -53.8316 -53.8316 -53.8316 -26.7687 -26.7687 -26.7687 -26.7687 -18.1852 -18.1852 -18.1852 -18.1852 -18.0866 -18.0866 -18.0866 -18.0866 3.2278 3.2278 3.2278 3.2278 6.3772 6.3772 6.3772 6.3772 7.5534 7.5534 7.5534 7.5534 8.0582 8.0582 8.0582 8.0582 10.4916 10.4916 10.4916 10.4916 11.3097 11.3097 11.3097 11.3097 11.6629 11.6629 11.6629 11.6629 16.3933 16.3933 16.3933 16.3933 17.0456 17.0456 17.0456 17.0456 k = 0.5000 0.5000 0.1002 ( 3204 PWs) bands (ev): -53.8316 -53.8316 -53.8316 -53.8316 -26.7687 -26.7687 -26.7687 -26.7687 -18.1852 -18.1852 -18.1852 -18.1852 -18.0866 -18.0866 -18.0866 -18.0866 3.2307 3.2307 3.2307 3.2307 6.3789 6.3789 6.3789 6.3789 7.5197 7.5197 7.5197 7.5197 8.0529 8.0529 8.0529 8.0529 10.5697 10.5697 10.5697 10.5697 11.3197 11.3197 11.3197 11.3197 11.6611 11.6611 11.6611 11.6611 16.2221 16.2221 16.2221 16.2221 17.0421 17.0421 17.0421 17.0421 k = 0.5000 0.5000 0.1113 ( 3196 PWs) bands (ev): -53.8316 -53.8316 -53.8316 -53.8316 -26.7687 -26.7687 -26.7687 -26.7687 -18.1851 -18.1851 -18.1851 -18.1851 -18.0865 -18.0865 -18.0865 -18.0865 3.2337 3.2337 3.2337 3.2337 6.3806 6.3806 6.3806 6.3806 7.4861 7.4861 7.4861 7.4861 8.0477 8.0477 8.0477 8.0477 10.6497 10.6497 10.6497 10.6497 11.3311 11.3311 11.3311 11.3311 11.6591 11.6591 11.6591 11.6591 16.0545 16.0545 16.0545 16.0545 17.0398 17.0398 17.0398 17.0398 k = 0.5000 0.5000 0.1225 ( 3188 PWs) bands (ev): -53.8316 -53.8316 -53.8316 -53.8316 -26.7686 -26.7686 -26.7686 -26.7686 -18.1851 -18.1851 -18.1851 -18.1851 -18.0865 -18.0865 -18.0865 -18.0865 3.2367 3.2367 3.2367 3.2367 6.3823 6.3823 6.3823 6.3823 7.4536 7.4536 7.4536 7.4536 8.0427 8.0427 8.0427 8.0427 10.7293 10.7293 10.7293 10.7293 11.3440 11.3440 11.3440 11.3440 11.6571 11.6571 11.6571 11.6571 15.8930 15.8930 15.8930 15.8930 17.0382 17.0382 17.0382 17.0382 k = 0.5000 0.5000 0.1336 ( 3188 PWs) bands (ev): -53.8316 -53.8316 -53.8316 -53.8316 -26.7686 -26.7686 -26.7686 -26.7686 -18.1851 -18.1851 -18.1851 -18.1851 -18.0865 -18.0865 -18.0865 -18.0865 3.2397 3.2397 3.2397 3.2397 6.3840 6.3840 6.3840 6.3840 7.4227 7.4227 7.4227 7.4227 8.0379 8.0379 8.0379 8.0379 10.8066 10.8066 10.8066 10.8066 11.3586 11.3586 11.3586 11.3586 11.6551 11.6551 11.6551 11.6551 15.7399 15.7399 15.7399 15.7399 17.0370 17.0370 17.0370 17.0370 k = 0.5000 0.5000 0.1447 ( 3188 PWs) bands (ev): -53.8316 -53.8316 -53.8316 -53.8316 -26.7686 -26.7686 -26.7686 -26.7686 -18.1851 -18.1851 -18.1851 -18.1851 -18.0865 -18.0865 -18.0865 -18.0865 3.2425 3.2425 3.2425 3.2425 6.3856 6.3856 6.3856 6.3856 7.3941 7.3941 7.3941 7.3941 8.0334 8.0334 8.0334 8.0334 10.8791 10.8791 10.8791 10.8791 11.3751 11.3751 11.3751 11.3751 11.6530 11.6530 11.6530 11.6530 15.5974 15.5974 15.5974 15.5974 17.0362 17.0362 17.0362 17.0362 k = 0.5000 0.5000 0.1559 ( 3180 PWs) bands (ev): -53.8316 -53.8316 -53.8316 -53.8316 -26.7685 -26.7685 -26.7685 -26.7685 -18.1851 -18.1851 -18.1851 -18.1851 -18.0864 -18.0864 -18.0864 -18.0864 3.2451 3.2451 3.2451 3.2451 6.3871 6.3871 6.3871 6.3871 7.3684 7.3684 7.3684 7.3684 8.0293 8.0293 8.0293 8.0293 10.9446 10.9446 10.9446 10.9446 11.3938 11.3938 11.3938 11.3938 11.6511 11.6511 11.6511 11.6511 15.4674 15.4674 15.4674 15.4674 17.0355 17.0355 17.0355 17.0355 k = 0.5000 0.5000 0.1670 ( 3180 PWs) bands (ev): -53.8316 -53.8316 -53.8316 -53.8316 -26.7685 -26.7685 -26.7685 -26.7685 -18.1851 -18.1851 -18.1851 -18.1851 -18.0864 -18.0864 -18.0864 -18.0864 3.2474 3.2474 3.2474 3.2474 6.3885 6.3885 6.3885 6.3885 7.3459 7.3459 7.3459 7.3459 8.0257 8.0257 8.0257 8.0257 11.0010 11.0010 11.0010 11.0010 11.4143 11.4143 11.4143 11.4143 11.6493 11.6493 11.6493 11.6493 15.3522 15.3522 15.3522 15.3522 17.0350 17.0350 17.0350 17.0350 k = 0.5000 0.5000 0.1781 ( 3204 PWs) bands (ev): -53.8316 -53.8316 -53.8316 -53.8316 -26.7687 -26.7687 -26.7687 -26.7687 -18.1853 -18.1853 -18.1853 -18.1853 -18.0865 -18.0865 -18.0865 -18.0865 3.2494 3.2494 3.2494 3.2494 6.3896 6.3896 6.3896 6.3896 7.3270 7.3270 7.3270 7.3270 8.0227 8.0227 8.0227 8.0227 11.0469 11.0469 11.0469 11.0469 11.4357 11.4357 11.4357 11.4357 11.6476 11.6476 11.6476 11.6476 15.2539 15.2539 15.2539 15.2539 17.0346 17.0346 17.0346 17.0346 k = 0.5000 0.5000 0.1893 ( 3232 PWs) bands (ev): -53.8317 -53.8317 -53.8317 -53.8317 -26.7689 -26.7689 -26.7689 -26.7689 -18.1853 -18.1853 -18.1853 -18.1853 -18.0867 -18.0867 -18.0867 -18.0867 3.2510 3.2510 3.2510 3.2510 6.3905 6.3905 6.3905 6.3905 7.3120 7.3120 7.3120 7.3120 8.0203 8.0203 8.0203 8.0203 11.0816 11.0816 11.0816 11.0816 11.4563 11.4563 11.4563 11.4563 11.6462 11.6462 11.6462 11.6462 15.1746 15.1746 15.1746 15.1746 17.0342 17.0342 17.0342 17.0342 k = 0.5000 0.5000 0.2004 ( 3228 PWs) bands (ev): -53.8317 -53.8317 -53.8317 -53.8317 -26.7688 -26.7688 -26.7688 -26.7688 -18.1853 -18.1853 -18.1853 -18.1853 -18.0867 -18.0867 -18.0867 -18.0867 3.2522 3.2522 3.2522 3.2522 6.3912 6.3912 6.3912 6.3912 7.3011 7.3011 7.3011 7.3011 8.0185 8.0185 8.0185 8.0185 11.1057 11.1057 11.1057 11.1057 11.4737 11.4737 11.4737 11.4737 11.6451 11.6451 11.6451 11.6451 15.1163 15.1163 15.1163 15.1163 17.0341 17.0341 17.0341 17.0341 k = 0.5000 0.5000 0.2115 ( 3228 PWs) bands (ev): -53.8317 -53.8317 -53.8317 -53.8317 -26.7688 -26.7688 -26.7688 -26.7688 -18.1853 -18.1853 -18.1853 -18.1853 -18.0867 -18.0867 -18.0867 -18.0867 3.2529 3.2529 3.2529 3.2529 6.3916 6.3916 6.3916 6.3916 7.2946 7.2946 7.2946 7.2946 8.0175 8.0175 8.0175 8.0175 11.1196 11.1196 11.1196 11.1196 11.4853 11.4853 11.4853 11.4853 11.6444 11.6444 11.6444 11.6444 15.0806 15.0806 15.0806 15.0806 17.0339 17.0339 17.0339 17.0339 k = 0.5000 0.5000 0.2227 ( 3232 PWs) bands (ev): -53.8317 -53.8317 -53.8317 -53.8317 -26.7689 -26.7689 -26.7689 -26.7689 -18.1853 -18.1853 -18.1853 -18.1853 -18.0867 -18.0867 -18.0867 -18.0867 3.2532 3.2532 3.2532 3.2532 6.3918 6.3918 6.3918 6.3918 7.2924 7.2924 7.2924 7.2924 8.0171 8.0171 8.0171 8.0171 11.1242 11.1242 11.1242 11.1242 11.4894 11.4894 11.4894 11.4894 11.6441 11.6441 11.6441 11.6441 15.0686 15.0686 15.0686 15.0686 17.0339 17.0339 17.0339 17.0339 Writing output data file TaSiAs.save init_run : 0.26s CPU 0.40s WALL ( 1 calls) electrons : 144.71s CPU 147.21s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 144.71s CPU 147.21s 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 : 0.01s CPU 0.05s WALL ( 377 calls) cegterg : 132.67s CPU 134.67s WALL ( 405 calls) Called by sum_band: Called by *egterg: h_psi : 61.88s CPU 63.81s WALL ( 7682 calls) s_psi : 5.73s CPU 5.70s WALL ( 7682 calls) g_psi : 0.18s CPU 0.19s WALL ( 6900 calls) cdiaghg : 60.68s CPU 60.52s WALL ( 7277 calls) cegterg:over : 5.26s CPU 5.47s WALL ( 6900 calls) cegterg:upda : 4.11s CPU 4.47s WALL ( 6900 calls) cegterg:last : 2.22s CPU 2.33s WALL ( 1159 calls) cdiaghg:chol : 3.18s CPU 3.35s WALL ( 7277 calls) cdiaghg:inve : 2.28s CPU 2.30s WALL ( 7277 calls) cdiaghg:para : 3.61s CPU 3.78s WALL ( 14554 calls) Called by h_psi: h_psi:vloc : 48.32s CPU 50.25s WALL ( 7682 calls) h_psi:vnl : 13.41s CPU 13.38s WALL ( 7682 calls) add_vuspsi : 6.89s CPU 6.94s WALL ( 7682 calls) General routines calbec : 6.50s CPU 6.42s WALL ( 7682 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 45.28s CPU 47.23s WALL ( 850956 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.24s CPU 0.20s WALL ( 754 calls) Parallel routines fft_scatter : 21.84s CPU 22.92s WALL ( 850979 calls) PWSCF : 2m41.07s CPU 2m56.26s WALL This run was terminated on: 13:25:27 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=