Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21:16:47 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: ./ZrSiS.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 19 19 6 901 901 148 Max 20 20 8 908 908 154 Sum 717 717 221 32593 32593 5409 bravais-lattice index = 14 lattice parameter (alat) = 6.6972 a.u. unit-cell volume = 682.7308 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 28.00 number of Kohn-Sham states= 36 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 200.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.697189 celldm(2)= 1.000000 celldm(3)= 2.272856 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 2.272856 ) 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 0.439975 ) PseudoPot. # 1 for S read from file: /users/gautes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 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. # 2 for Zr read from file: /users/gautes/Pseudo/Zr.rel-pbe-n-nc.UPF MD5 check sum: 453101d5cee66cf3691e2371f73c5d7d Pseudo is Norm-conserving + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1225 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 3 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 atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) Zr 4.00 91.22400 Zr( 1.00) Si 4.00 28.08550 Si( 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= 375 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026667 k( 2) = ( 0.0000000 0.0111111 -0.0000000), wk = 0.0026667 k( 3) = ( 0.0000000 0.0222222 -0.0000000), wk = 0.0026667 k( 4) = ( 0.0000000 0.0333333 -0.0000000), wk = 0.0026667 k( 5) = ( 0.0000000 0.0444444 -0.0000000), wk = 0.0026667 k( 6) = ( 0.0000000 0.0555556 -0.0000000), wk = 0.0026667 k( 7) = ( 0.0000000 0.0666667 -0.0000000), wk = 0.0026667 k( 8) = ( 0.0000000 0.0777778 -0.0000000), wk = 0.0026667 k( 9) = ( 0.0000000 0.0888889 -0.0000000), wk = 0.0026667 k( 10) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0026667 k( 11) = ( 0.0000000 0.1111111 -0.0000000), wk = 0.0026667 k( 12) = ( 0.0000000 0.1222222 -0.0000000), wk = 0.0026667 k( 13) = ( 0.0000000 0.1333333 -0.0000000), wk = 0.0026667 k( 14) = ( 0.0000000 0.1444444 -0.0000000), wk = 0.0026667 k( 15) = ( 0.0000000 0.1555556 -0.0000000), wk = 0.0026667 k( 16) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0026667 k( 17) = ( 0.0000000 0.1777778 -0.0000000), wk = 0.0026667 k( 18) = ( 0.0000000 0.1888889 -0.0000000), wk = 0.0026667 k( 19) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0026667 k( 20) = ( 0.0000000 0.2111111 -0.0000000), wk = 0.0026667 k( 21) = ( 0.0000000 0.2222222 -0.0000000), wk = 0.0026667 k( 22) = ( 0.0000000 0.2333333 -0.0000000), wk = 0.0026667 k( 23) = ( 0.0000000 0.2444444 -0.0000000), wk = 0.0026667 k( 24) = ( 0.0000000 0.2555556 -0.0000000), wk = 0.0026667 k( 25) = ( 0.0000000 0.2666667 -0.0000000), wk = 0.0026667 k( 26) = ( 0.0000000 0.2777778 -0.0000000), wk = 0.0026667 k( 27) = ( 0.0000000 0.2888889 -0.0000000), wk = 0.0026667 k( 28) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0026667 k( 29) = ( 0.0000000 0.3111111 -0.0000000), wk = 0.0026667 k( 30) = ( 0.0000000 0.3222222 -0.0000000), wk = 0.0026667 k( 31) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0026667 k( 32) = ( 0.0000000 0.3444444 -0.0000000), wk = 0.0026667 k( 33) = ( 0.0000000 0.3555556 -0.0000000), wk = 0.0026667 k( 34) = ( 0.0000000 0.3666667 -0.0000000), wk = 0.0026667 k( 35) = ( 0.0000000 0.3777778 -0.0000000), wk = 0.0026667 k( 36) = ( 0.0000000 0.3888889 -0.0000000), wk = 0.0026667 k( 37) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0026667 k( 38) = ( 0.0000000 0.4111111 -0.0000000), wk = 0.0026667 k( 39) = ( 0.0000000 0.4222222 -0.0000000), wk = 0.0026667 k( 40) = ( 0.0000000 0.4333333 -0.0000000), wk = 0.0026667 k( 41) = ( 0.0000000 0.4444444 -0.0000000), wk = 0.0026667 k( 42) = ( 0.0000000 0.4555556 -0.0000000), wk = 0.0026667 k( 43) = ( 0.0000000 0.4666667 -0.0000000), wk = 0.0026667 k( 44) = ( 0.0000000 0.4777778 -0.0000000), wk = 0.0026667 k( 45) = ( 0.0000000 0.4888889 -0.0000000), wk = 0.0026667 k( 46) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026667 k( 47) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026667 k( 48) = ( 0.0111111 0.5000000 -0.0000000), wk = 0.0026667 k( 49) = ( 0.0222222 0.5000000 -0.0000000), wk = 0.0026667 k( 50) = ( 0.0333333 0.5000000 -0.0000000), wk = 0.0026667 k( 51) = ( 0.0444444 0.5000000 -0.0000000), wk = 0.0026667 k( 52) = ( 0.0555556 0.5000000 -0.0000000), wk = 0.0026667 k( 53) = ( 0.0666667 0.5000000 -0.0000000), wk = 0.0026667 k( 54) = ( 0.0777778 0.5000000 -0.0000000), wk = 0.0026667 k( 55) = ( 0.0888889 0.5000000 -0.0000000), wk = 0.0026667 k( 56) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0026667 k( 57) = ( 0.1111111 0.5000000 -0.0000000), wk = 0.0026667 k( 58) = ( 0.1222222 0.5000000 -0.0000000), wk = 0.0026667 k( 59) = ( 0.1333333 0.5000000 -0.0000000), wk = 0.0026667 k( 60) = ( 0.1444444 0.5000000 -0.0000000), wk = 0.0026667 k( 61) = ( 0.1555556 0.5000000 -0.0000000), wk = 0.0026667 k( 62) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0026667 k( 63) = ( 0.1777778 0.5000000 -0.0000000), wk = 0.0026667 k( 64) = ( 0.1888889 0.5000000 -0.0000000), wk = 0.0026667 k( 65) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0026667 k( 66) = ( 0.2111111 0.5000000 -0.0000000), wk = 0.0026667 k( 67) = ( 0.2222222 0.5000000 -0.0000000), wk = 0.0026667 k( 68) = ( 0.2333333 0.5000000 -0.0000000), wk = 0.0026667 k( 69) = ( 0.2444444 0.5000000 -0.0000000), wk = 0.0026667 k( 70) = ( 0.2555556 0.5000000 -0.0000000), wk = 0.0026667 k( 71) = ( 0.2666667 0.5000000 -0.0000000), wk = 0.0026667 k( 72) = ( 0.2777778 0.5000000 -0.0000000), wk = 0.0026667 k( 73) = ( 0.2888889 0.5000000 -0.0000000), wk = 0.0026667 k( 74) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0026667 k( 75) = ( 0.3111111 0.5000000 -0.0000000), wk = 0.0026667 k( 76) = ( 0.3222222 0.5000000 -0.0000000), wk = 0.0026667 k( 77) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0026667 k( 78) = ( 0.3444444 0.5000000 -0.0000000), wk = 0.0026667 k( 79) = ( 0.3555556 0.5000000 -0.0000000), wk = 0.0026667 k( 80) = ( 0.3666667 0.5000000 -0.0000000), wk = 0.0026667 k( 81) = ( 0.3777778 0.5000000 -0.0000000), wk = 0.0026667 k( 82) = ( 0.3888889 0.5000000 -0.0000000), wk = 0.0026667 k( 83) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0026667 k( 84) = ( 0.4111111 0.5000000 -0.0000000), wk = 0.0026667 k( 85) = ( 0.4222222 0.5000000 -0.0000000), wk = 0.0026667 k( 86) = ( 0.4333333 0.5000000 -0.0000000), wk = 0.0026667 k( 87) = ( 0.4444444 0.5000000 -0.0000000), wk = 0.0026667 k( 88) = ( 0.4555556 0.5000000 -0.0000000), wk = 0.0026667 k( 89) = ( 0.4666667 0.5000000 -0.0000000), wk = 0.0026667 k( 90) = ( 0.4777778 0.5000000 -0.0000000), wk = 0.0026667 k( 91) = ( 0.4888889 0.5000000 -0.0000000), wk = 0.0026667 k( 92) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026667 k( 93) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026667 k( 94) = ( 0.4920635 0.4920635 -0.0000000), wk = 0.0026667 k( 95) = ( 0.4841270 0.4841270 -0.0000000), wk = 0.0026667 k( 96) = ( 0.4761905 0.4761905 -0.0000000), wk = 0.0026667 k( 97) = ( 0.4682540 0.4682540 -0.0000000), wk = 0.0026667 k( 98) = ( 0.4603175 0.4603175 -0.0000000), wk = 0.0026667 k( 99) = ( 0.4523810 0.4523809 -0.0000000), wk = 0.0026667 k( 100) = ( 0.4444444 0.4444444 -0.0000000), wk = 0.0026667 k( 101) = ( 0.4365079 0.4365079 -0.0000000), wk = 0.0026667 k( 102) = ( 0.4285714 0.4285714 -0.0000000), wk = 0.0026667 k( 103) = ( 0.4206349 0.4206349 -0.0000000), wk = 0.0026667 k( 104) = ( 0.4126984 0.4126984 -0.0000000), wk = 0.0026667 k( 105) = ( 0.4047619 0.4047619 -0.0000000), wk = 0.0026667 k( 106) = ( 0.3968254 0.3968254 -0.0000000), wk = 0.0026667 k( 107) = ( 0.3888889 0.3888889 -0.0000000), wk = 0.0026667 k( 108) = ( 0.3809524 0.3809524 -0.0000000), wk = 0.0026667 k( 109) = ( 0.3730159 0.3730159 -0.0000000), wk = 0.0026667 k( 110) = ( 0.3650794 0.3650794 -0.0000000), wk = 0.0026667 k( 111) = ( 0.3571429 0.3571429 -0.0000000), wk = 0.0026667 k( 112) = ( 0.3492063 0.3492063 -0.0000000), wk = 0.0026667 k( 113) = ( 0.3412698 0.3412698 -0.0000000), wk = 0.0026667 k( 114) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0026667 k( 115) = ( 0.3253968 0.3253968 -0.0000000), wk = 0.0026667 k( 116) = ( 0.3174603 0.3174603 -0.0000000), wk = 0.0026667 k( 117) = ( 0.3095238 0.3095238 -0.0000000), wk = 0.0026667 k( 118) = ( 0.3015873 0.3015873 -0.0000000), wk = 0.0026667 k( 119) = ( 0.2936508 0.2936508 -0.0000000), wk = 0.0026667 k( 120) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0026667 k( 121) = ( 0.2777778 0.2777778 -0.0000000), wk = 0.0026667 k( 122) = ( 0.2698413 0.2698413 -0.0000000), wk = 0.0026667 k( 123) = ( 0.2619048 0.2619048 -0.0000000), wk = 0.0026667 k( 124) = ( 0.2539683 0.2539683 -0.0000000), wk = 0.0026667 k( 125) = ( 0.2460317 0.2460317 -0.0000000), wk = 0.0026667 k( 126) = ( 0.2380952 0.2380952 -0.0000000), wk = 0.0026667 k( 127) = ( 0.2301587 0.2301587 -0.0000000), wk = 0.0026667 k( 128) = ( 0.2222222 0.2222222 -0.0000000), wk = 0.0026667 k( 129) = ( 0.2142857 0.2142857 -0.0000000), wk = 0.0026667 k( 130) = ( 0.2063492 0.2063492 -0.0000000), wk = 0.0026667 k( 131) = ( 0.1984127 0.1984127 -0.0000000), wk = 0.0026667 k( 132) = ( 0.1904762 0.1904762 -0.0000000), wk = 0.0026667 k( 133) = ( 0.1825397 0.1825397 -0.0000000), wk = 0.0026667 k( 134) = ( 0.1746032 0.1746032 -0.0000000), wk = 0.0026667 k( 135) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0026667 k( 136) = ( 0.1587302 0.1587302 -0.0000000), wk = 0.0026667 k( 137) = ( 0.1507937 0.1507936 -0.0000000), wk = 0.0026667 k( 138) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0026667 k( 139) = ( 0.1349206 0.1349206 -0.0000000), wk = 0.0026667 k( 140) = ( 0.1269841 0.1269841 -0.0000000), wk = 0.0026667 k( 141) = ( 0.1190476 0.1190476 -0.0000000), wk = 0.0026667 k( 142) = ( 0.1111111 0.1111111 -0.0000000), wk = 0.0026667 k( 143) = ( 0.1031746 0.1031746 -0.0000000), wk = 0.0026667 k( 144) = ( 0.0952381 0.0952381 -0.0000000), wk = 0.0026667 k( 145) = ( 0.0873016 0.0873016 -0.0000000), wk = 0.0026667 k( 146) = ( 0.0793651 0.0793651 -0.0000000), wk = 0.0026667 k( 147) = ( 0.0714286 0.0714286 -0.0000000), wk = 0.0026667 k( 148) = ( 0.0634921 0.0634921 -0.0000000), wk = 0.0026667 k( 149) = ( 0.0555556 0.0555556 -0.0000000), wk = 0.0026667 k( 150) = ( 0.0476191 0.0476190 -0.0000000), wk = 0.0026667 k( 151) = ( 0.0396825 0.0396825 -0.0000000), wk = 0.0026667 k( 152) = ( 0.0317460 0.0317460 -0.0000000), wk = 0.0026667 k( 153) = ( 0.0238095 0.0238095 -0.0000000), wk = 0.0026667 k( 154) = ( 0.0158730 0.0158730 -0.0000000), wk = 0.0026667 k( 155) = ( 0.0079365 0.0079365 -0.0000000), wk = 0.0026667 k( 156) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026667 k( 157) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026667 k( 158) = ( 0.0000000 0.0000000 0.0109994), wk = 0.0026667 k( 159) = ( 0.0000000 0.0000000 0.0219988), wk = 0.0026667 k( 160) = ( 0.0000000 0.0000000 0.0329981), wk = 0.0026667 k( 161) = ( 0.0000000 0.0000000 0.0439975), wk = 0.0026667 k( 162) = ( 0.0000000 0.0000000 0.0549969), wk = 0.0026667 k( 163) = ( 0.0000000 0.0000000 0.0659963), wk = 0.0026667 k( 164) = ( 0.0000000 0.0000000 0.0769957), wk = 0.0026667 k( 165) = ( 0.0000000 0.0000000 0.0879950), wk = 0.0026667 k( 166) = ( 0.0000000 0.0000000 0.0989944), wk = 0.0026667 k( 167) = ( 0.0000000 0.0000000 0.1099938), wk = 0.0026667 k( 168) = ( 0.0000000 0.0000000 0.1209932), wk = 0.0026667 k( 169) = ( 0.0000000 0.0000000 0.1319926), wk = 0.0026667 k( 170) = ( 0.0000000 0.0000000 0.1429919), wk = 0.0026667 k( 171) = ( 0.0000000 0.0000000 0.1539913), wk = 0.0026667 k( 172) = ( 0.0000000 0.0000000 0.1649907), wk = 0.0026667 k( 173) = ( 0.0000000 0.0000000 0.1759901), wk = 0.0026667 k( 174) = ( 0.0000000 0.0000000 0.1869894), wk = 0.0026667 k( 175) = ( 0.0000000 0.0000000 0.1979888), wk = 0.0026667 k( 176) = ( 0.0000000 0.0000000 0.2089882), wk = 0.0026667 k( 177) = ( 0.0000000 0.0000000 0.2199876), wk = 0.0026667 k( 178) = ( 0.0000000 0.0000000 0.2199876), wk = 0.0026667 k( 179) = ( 0.0000000 0.0111111 0.2199876), wk = 0.0026667 k( 180) = ( 0.0000000 0.0222222 0.2199876), wk = 0.0026667 k( 181) = ( 0.0000000 0.0333333 0.2199876), wk = 0.0026667 k( 182) = ( 0.0000000 0.0444444 0.2199876), wk = 0.0026667 k( 183) = ( 0.0000000 0.0555556 0.2199876), wk = 0.0026667 k( 184) = ( 0.0000000 0.0666667 0.2199876), wk = 0.0026667 k( 185) = ( 0.0000000 0.0777778 0.2199876), wk = 0.0026667 k( 186) = ( 0.0000000 0.0888889 0.2199876), wk = 0.0026667 k( 187) = ( 0.0000000 0.1000000 0.2199876), wk = 0.0026667 k( 188) = ( 0.0000000 0.1111111 0.2199876), wk = 0.0026667 k( 189) = ( 0.0000000 0.1222222 0.2199876), wk = 0.0026667 k( 190) = ( 0.0000000 0.1333333 0.2199876), wk = 0.0026667 k( 191) = ( 0.0000000 0.1444444 0.2199876), wk = 0.0026667 k( 192) = ( 0.0000000 0.1555556 0.2199876), wk = 0.0026667 k( 193) = ( 0.0000000 0.1666667 0.2199876), wk = 0.0026667 k( 194) = ( 0.0000000 0.1777778 0.2199876), wk = 0.0026667 k( 195) = ( 0.0000000 0.1888889 0.2199876), wk = 0.0026667 k( 196) = ( 0.0000000 0.2000000 0.2199876), wk = 0.0026667 k( 197) = ( 0.0000000 0.2111111 0.2199876), wk = 0.0026667 k( 198) = ( 0.0000000 0.2222222 0.2199876), wk = 0.0026667 k( 199) = ( 0.0000000 0.2333333 0.2199876), wk = 0.0026667 k( 200) = ( 0.0000000 0.2444444 0.2199876), wk = 0.0026667 k( 201) = ( 0.0000000 0.2555556 0.2199876), wk = 0.0026667 k( 202) = ( 0.0000000 0.2666667 0.2199876), wk = 0.0026667 k( 203) = ( 0.0000000 0.2777778 0.2199876), wk = 0.0026667 k( 204) = ( 0.0000000 0.2888889 0.2199876), wk = 0.0026667 k( 205) = ( 0.0000000 0.3000000 0.2199876), wk = 0.0026667 k( 206) = ( 0.0000000 0.3111111 0.2199876), wk = 0.0026667 k( 207) = ( 0.0000000 0.3222222 0.2199876), wk = 0.0026667 k( 208) = ( 0.0000000 0.3333333 0.2199876), wk = 0.0026667 k( 209) = ( 0.0000000 0.3444444 0.2199876), wk = 0.0026667 k( 210) = ( 0.0000000 0.3555556 0.2199876), wk = 0.0026667 k( 211) = ( 0.0000000 0.3666667 0.2199876), wk = 0.0026667 k( 212) = ( 0.0000000 0.3777778 0.2199876), wk = 0.0026667 k( 213) = ( 0.0000000 0.3888889 0.2199876), wk = 0.0026667 k( 214) = ( 0.0000000 0.4000000 0.2199876), wk = 0.0026667 k( 215) = ( 0.0000000 0.4111111 0.2199876), wk = 0.0026667 k( 216) = ( 0.0000000 0.4222222 0.2199876), wk = 0.0026667 k( 217) = ( 0.0000000 0.4333333 0.2199876), wk = 0.0026667 k( 218) = ( 0.0000000 0.4444444 0.2199876), wk = 0.0026667 k( 219) = ( 0.0000000 0.4555556 0.2199876), wk = 0.0026667 k( 220) = ( 0.0000000 0.4666667 0.2199876), wk = 0.0026667 k( 221) = ( 0.0000000 0.4777778 0.2199876), wk = 0.0026667 k( 222) = ( 0.0000000 0.4888889 0.2199876), wk = 0.0026667 k( 223) = ( 0.0000000 0.5000000 0.2199876), wk = 0.0026667 k( 224) = ( 0.0000000 0.5000000 0.2199876), wk = 0.0026667 k( 225) = ( 0.0111111 0.5000000 0.2199876), wk = 0.0026667 k( 226) = ( 0.0222222 0.5000000 0.2199876), wk = 0.0026667 k( 227) = ( 0.0333333 0.5000000 0.2199876), wk = 0.0026667 k( 228) = ( 0.0444444 0.5000000 0.2199876), wk = 0.0026667 k( 229) = ( 0.0555556 0.5000000 0.2199876), wk = 0.0026667 k( 230) = ( 0.0666667 0.5000000 0.2199876), wk = 0.0026667 k( 231) = ( 0.0777778 0.5000000 0.2199876), wk = 0.0026667 k( 232) = ( 0.0888889 0.5000000 0.2199876), wk = 0.0026667 k( 233) = ( 0.1000000 0.5000000 0.2199876), wk = 0.0026667 k( 234) = ( 0.1111111 0.5000000 0.2199876), wk = 0.0026667 k( 235) = ( 0.1222222 0.5000000 0.2199876), wk = 0.0026667 k( 236) = ( 0.1333333 0.5000000 0.2199876), wk = 0.0026667 k( 237) = ( 0.1444444 0.5000000 0.2199876), wk = 0.0026667 k( 238) = ( 0.1555556 0.5000000 0.2199876), wk = 0.0026667 k( 239) = ( 0.1666667 0.5000000 0.2199876), wk = 0.0026667 k( 240) = ( 0.1777778 0.5000000 0.2199876), wk = 0.0026667 k( 241) = ( 0.1888889 0.5000000 0.2199876), wk = 0.0026667 k( 242) = ( 0.2000000 0.5000000 0.2199876), wk = 0.0026667 k( 243) = ( 0.2111111 0.5000000 0.2199876), wk = 0.0026667 k( 244) = ( 0.2222222 0.5000000 0.2199876), wk = 0.0026667 k( 245) = ( 0.2333333 0.5000000 0.2199876), wk = 0.0026667 k( 246) = ( 0.2444444 0.5000000 0.2199876), wk = 0.0026667 k( 247) = ( 0.2555556 0.5000000 0.2199876), wk = 0.0026667 k( 248) = ( 0.2666667 0.5000000 0.2199876), wk = 0.0026667 k( 249) = ( 0.2777778 0.5000000 0.2199876), wk = 0.0026667 k( 250) = ( 0.2888889 0.5000000 0.2199876), wk = 0.0026667 k( 251) = ( 0.3000000 0.5000000 0.2199876), wk = 0.0026667 k( 252) = ( 0.3111111 0.5000000 0.2199876), wk = 0.0026667 k( 253) = ( 0.3222222 0.5000000 0.2199876), wk = 0.0026667 k( 254) = ( 0.3333333 0.5000000 0.2199876), wk = 0.0026667 k( 255) = ( 0.3444444 0.5000000 0.2199876), wk = 0.0026667 k( 256) = ( 0.3555556 0.5000000 0.2199876), wk = 0.0026667 k( 257) = ( 0.3666667 0.5000000 0.2199876), wk = 0.0026667 k( 258) = ( 0.3777778 0.5000000 0.2199876), wk = 0.0026667 k( 259) = ( 0.3888889 0.5000000 0.2199876), wk = 0.0026667 k( 260) = ( 0.4000000 0.5000000 0.2199876), wk = 0.0026667 k( 261) = ( 0.4111111 0.5000000 0.2199876), wk = 0.0026667 k( 262) = ( 0.4222222 0.5000000 0.2199876), wk = 0.0026667 k( 263) = ( 0.4333333 0.5000000 0.2199876), wk = 0.0026667 k( 264) = ( 0.4444444 0.5000000 0.2199876), wk = 0.0026667 k( 265) = ( 0.4555556 0.5000000 0.2199876), wk = 0.0026667 k( 266) = ( 0.4666667 0.5000000 0.2199876), wk = 0.0026667 k( 267) = ( 0.4777778 0.5000000 0.2199876), wk = 0.0026667 k( 268) = ( 0.4888889 0.5000000 0.2199876), wk = 0.0026667 k( 269) = ( 0.5000000 0.5000000 0.2199876), wk = 0.0026667 k( 270) = ( 0.5000000 0.5000000 0.2199876), wk = 0.0026667 k( 271) = ( 0.4920635 0.4920635 0.2199876), wk = 0.0026667 k( 272) = ( 0.4841270 0.4841270 0.2199876), wk = 0.0026667 k( 273) = ( 0.4761905 0.4761905 0.2199876), wk = 0.0026667 k( 274) = ( 0.4682540 0.4682540 0.2199876), wk = 0.0026667 k( 275) = ( 0.4603175 0.4603175 0.2199876), wk = 0.0026667 k( 276) = ( 0.4523810 0.4523809 0.2199876), wk = 0.0026667 k( 277) = ( 0.4444444 0.4444444 0.2199876), wk = 0.0026667 k( 278) = ( 0.4365079 0.4365079 0.2199876), wk = 0.0026667 k( 279) = ( 0.4285714 0.4285714 0.2199876), wk = 0.0026667 k( 280) = ( 0.4206349 0.4206349 0.2199876), wk = 0.0026667 k( 281) = ( 0.4126984 0.4126984 0.2199876), wk = 0.0026667 k( 282) = ( 0.4047619 0.4047619 0.2199876), wk = 0.0026667 k( 283) = ( 0.3968254 0.3968254 0.2199876), wk = 0.0026667 k( 284) = ( 0.3888889 0.3888889 0.2199876), wk = 0.0026667 k( 285) = ( 0.3809524 0.3809524 0.2199876), wk = 0.0026667 k( 286) = ( 0.3730159 0.3730159 0.2199876), wk = 0.0026667 k( 287) = ( 0.3650794 0.3650794 0.2199876), wk = 0.0026667 k( 288) = ( 0.3571429 0.3571429 0.2199876), wk = 0.0026667 k( 289) = ( 0.3492063 0.3492063 0.2199876), wk = 0.0026667 k( 290) = ( 0.3412698 0.3412698 0.2199876), wk = 0.0026667 k( 291) = ( 0.3333333 0.3333333 0.2199876), wk = 0.0026667 k( 292) = ( 0.3253968 0.3253968 0.2199876), wk = 0.0026667 k( 293) = ( 0.3174603 0.3174603 0.2199876), wk = 0.0026667 k( 294) = ( 0.3095238 0.3095238 0.2199876), wk = 0.0026667 k( 295) = ( 0.3015873 0.3015873 0.2199876), wk = 0.0026667 k( 296) = ( 0.2936508 0.2936508 0.2199876), wk = 0.0026667 k( 297) = ( 0.2857143 0.2857143 0.2199876), wk = 0.0026667 k( 298) = ( 0.2777778 0.2777778 0.2199876), wk = 0.0026667 k( 299) = ( 0.2698413 0.2698413 0.2199876), wk = 0.0026667 k( 300) = ( 0.2619048 0.2619048 0.2199876), wk = 0.0026667 k( 301) = ( 0.2539683 0.2539683 0.2199876), wk = 0.0026667 k( 302) = ( 0.2460317 0.2460317 0.2199876), wk = 0.0026667 k( 303) = ( 0.2380952 0.2380952 0.2199876), wk = 0.0026667 k( 304) = ( 0.2301587 0.2301587 0.2199876), wk = 0.0026667 k( 305) = ( 0.2222222 0.2222222 0.2199876), wk = 0.0026667 k( 306) = ( 0.2142857 0.2142857 0.2199876), wk = 0.0026667 k( 307) = ( 0.2063492 0.2063492 0.2199876), wk = 0.0026667 k( 308) = ( 0.1984127 0.1984127 0.2199876), wk = 0.0026667 k( 309) = ( 0.1904762 0.1904762 0.2199876), wk = 0.0026667 k( 310) = ( 0.1825397 0.1825397 0.2199876), wk = 0.0026667 k( 311) = ( 0.1746032 0.1746032 0.2199876), wk = 0.0026667 k( 312) = ( 0.1666667 0.1666667 0.2199876), wk = 0.0026667 k( 313) = ( 0.1587302 0.1587302 0.2199876), wk = 0.0026667 k( 314) = ( 0.1507937 0.1507936 0.2199876), wk = 0.0026667 k( 315) = ( 0.1428571 0.1428571 0.2199876), wk = 0.0026667 k( 316) = ( 0.1349206 0.1349206 0.2199876), wk = 0.0026667 k( 317) = ( 0.1269841 0.1269841 0.2199876), wk = 0.0026667 k( 318) = ( 0.1190476 0.1190476 0.2199876), wk = 0.0026667 k( 319) = ( 0.1111111 0.1111111 0.2199876), wk = 0.0026667 k( 320) = ( 0.1031746 0.1031746 0.2199876), wk = 0.0026667 k( 321) = ( 0.0952381 0.0952381 0.2199876), wk = 0.0026667 k( 322) = ( 0.0873016 0.0873016 0.2199876), wk = 0.0026667 k( 323) = ( 0.0793651 0.0793651 0.2199876), wk = 0.0026667 k( 324) = ( 0.0714286 0.0714286 0.2199876), wk = 0.0026667 k( 325) = ( 0.0634921 0.0634921 0.2199876), wk = 0.0026667 k( 326) = ( 0.0555556 0.0555556 0.2199876), wk = 0.0026667 k( 327) = ( 0.0476191 0.0476190 0.2199876), wk = 0.0026667 k( 328) = ( 0.0396825 0.0396825 0.2199876), wk = 0.0026667 k( 329) = ( 0.0317460 0.0317460 0.2199876), wk = 0.0026667 k( 330) = ( 0.0238095 0.0238095 0.2199876), wk = 0.0026667 k( 331) = ( 0.0158730 0.0158730 0.2199876), wk = 0.0026667 k( 332) = ( 0.0079365 0.0079365 0.2199876), wk = 0.0026667 k( 333) = ( 0.0000000 0.0000000 0.2199876), wk = 0.0026667 k( 334) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026667 k( 335) = ( 0.0000000 0.5000000 0.0109994), wk = 0.0026667 k( 336) = ( 0.0000000 0.5000000 0.0219988), wk = 0.0026667 k( 337) = ( 0.0000000 0.5000000 0.0329981), wk = 0.0026667 k( 338) = ( 0.0000000 0.5000000 0.0439975), wk = 0.0026667 k( 339) = ( 0.0000000 0.5000000 0.0549969), wk = 0.0026667 k( 340) = ( 0.0000000 0.5000000 0.0659963), wk = 0.0026667 k( 341) = ( 0.0000000 0.5000000 0.0769957), wk = 0.0026667 k( 342) = ( 0.0000000 0.5000000 0.0879950), wk = 0.0026667 k( 343) = ( 0.0000000 0.5000000 0.0989944), wk = 0.0026667 k( 344) = ( 0.0000000 0.5000000 0.1099938), wk = 0.0026667 k( 345) = ( 0.0000000 0.5000000 0.1209932), wk = 0.0026667 k( 346) = ( 0.0000000 0.5000000 0.1319926), wk = 0.0026667 k( 347) = ( 0.0000000 0.5000000 0.1429919), wk = 0.0026667 k( 348) = ( 0.0000000 0.5000000 0.1539913), wk = 0.0026667 k( 349) = ( 0.0000000 0.5000000 0.1649907), wk = 0.0026667 k( 350) = ( 0.0000000 0.5000000 0.1759901), wk = 0.0026667 k( 351) = ( 0.0000000 0.5000000 0.1869894), wk = 0.0026667 k( 352) = ( 0.0000000 0.5000000 0.1979888), wk = 0.0026667 k( 353) = ( 0.0000000 0.5000000 0.2089882), wk = 0.0026667 k( 354) = ( 0.0000000 0.5000000 0.2199876), wk = 0.0026667 k( 355) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026667 k( 356) = ( 0.5000000 0.5000000 0.0109994), wk = 0.0026667 k( 357) = ( 0.5000000 0.5000000 0.0219988), wk = 0.0026667 k( 358) = ( 0.5000000 0.5000000 0.0329981), wk = 0.0026667 k( 359) = ( 0.5000000 0.5000000 0.0439975), wk = 0.0026667 k( 360) = ( 0.5000000 0.5000000 0.0549969), wk = 0.0026667 k( 361) = ( 0.5000000 0.5000000 0.0659963), wk = 0.0026667 k( 362) = ( 0.5000000 0.5000000 0.0769957), wk = 0.0026667 k( 363) = ( 0.5000000 0.5000000 0.0879950), wk = 0.0026667 k( 364) = ( 0.5000000 0.5000000 0.0989944), wk = 0.0026667 k( 365) = ( 0.5000000 0.5000000 0.1099938), wk = 0.0026667 k( 366) = ( 0.5000000 0.5000000 0.1209932), wk = 0.0026667 k( 367) = ( 0.5000000 0.5000000 0.1319926), wk = 0.0026667 k( 368) = ( 0.5000000 0.5000000 0.1429919), wk = 0.0026667 k( 369) = ( 0.5000000 0.5000000 0.1539913), wk = 0.0026667 k( 370) = ( 0.5000000 0.5000000 0.1649907), wk = 0.0026667 k( 371) = ( 0.5000000 0.5000000 0.1759901), wk = 0.0026667 k( 372) = ( 0.5000000 0.5000000 0.1869894), wk = 0.0026667 k( 373) = ( 0.5000000 0.5000000 0.1979888), wk = 0.0026667 k( 374) = ( 0.5000000 0.5000000 0.2089882), wk = 0.0026667 k( 375) = ( 0.5000000 0.5000000 0.2199876), wk = 0.0026667 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026667 k( 2) = ( 0.0000000 0.0111111 -0.0000000), wk = 0.0026667 k( 3) = ( 0.0000000 0.0222222 -0.0000000), wk = 0.0026667 k( 4) = ( 0.0000000 0.0333333 0.0000000), wk = 0.0026667 k( 5) = ( 0.0000000 0.0444444 -0.0000000), wk = 0.0026667 k( 6) = ( 0.0000000 0.0555556 -0.0000000), wk = 0.0026667 k( 7) = ( 0.0000000 0.0666667 0.0000000), wk = 0.0026667 k( 8) = ( 0.0000000 0.0777778 0.0000000), wk = 0.0026667 k( 9) = ( 0.0000000 0.0888889 -0.0000000), wk = 0.0026667 k( 10) = ( 0.0000000 0.1000000 0.0000000), wk = 0.0026667 k( 11) = ( 0.0000000 0.1111111 -0.0000000), wk = 0.0026667 k( 12) = ( 0.0000000 0.1222222 -0.0000000), wk = 0.0026667 k( 13) = ( 0.0000000 0.1333333 0.0000000), wk = 0.0026667 k( 14) = ( 0.0000000 0.1444444 -0.0000000), wk = 0.0026667 k( 15) = ( 0.0000000 0.1555556 0.0000000), wk = 0.0026667 k( 16) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0026667 k( 17) = ( 0.0000000 0.1777778 -0.0000000), wk = 0.0026667 k( 18) = ( 0.0000000 0.1888889 0.0000000), wk = 0.0026667 k( 19) = ( 0.0000000 0.2000000 0.0000000), wk = 0.0026667 k( 20) = ( 0.0000000 0.2111111 0.0000000), wk = 0.0026667 k( 21) = ( 0.0000000 0.2222222 -0.0000000), wk = 0.0026667 k( 22) = ( 0.0000000 0.2333333 0.0000000), wk = 0.0026667 k( 23) = ( 0.0000000 0.2444444 -0.0000000), wk = 0.0026667 k( 24) = ( 0.0000000 0.2555556 0.0000000), wk = 0.0026667 k( 25) = ( 0.0000000 0.2666667 0.0000000), wk = 0.0026667 k( 26) = ( 0.0000000 0.2777778 0.0000000), wk = 0.0026667 k( 27) = ( 0.0000000 0.2888889 0.0000000), wk = 0.0026667 k( 28) = ( 0.0000000 0.3000000 0.0000000), wk = 0.0026667 k( 29) = ( 0.0000000 0.3111111 -0.0000000), wk = 0.0026667 k( 30) = ( 0.0000000 0.3222222 -0.0000000), wk = 0.0026667 k( 31) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0026667 k( 32) = ( 0.0000000 0.3444444 0.0000000), wk = 0.0026667 k( 33) = ( 0.0000000 0.3555556 -0.0000000), wk = 0.0026667 k( 34) = ( 0.0000000 0.3666667 0.0000000), wk = 0.0026667 k( 35) = ( 0.0000000 0.3777778 0.0000000), wk = 0.0026667 k( 36) = ( 0.0000000 0.3888889 -0.0000000), wk = 0.0026667 k( 37) = ( 0.0000000 0.4000000 0.0000000), wk = 0.0026667 k( 38) = ( 0.0000000 0.4111111 0.0000000), wk = 0.0026667 k( 39) = ( 0.0000000 0.4222222 0.0000000), wk = 0.0026667 k( 40) = ( 0.0000000 0.4333333 0.0000000), wk = 0.0026667 k( 41) = ( 0.0000000 0.4444444 -0.0000000), wk = 0.0026667 k( 42) = ( 0.0000000 0.4555556 0.0000000), wk = 0.0026667 k( 43) = ( 0.0000000 0.4666667 -0.0000000), wk = 0.0026667 k( 44) = ( 0.0000000 0.4777778 -0.0000000), wk = 0.0026667 k( 45) = ( 0.0000000 0.4888889 0.0000000), wk = 0.0026667 k( 46) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026667 k( 47) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026667 k( 48) = ( 0.0111111 0.5000000 0.0000000), wk = 0.0026667 k( 49) = ( 0.0222222 0.5000000 -0.0000000), wk = 0.0026667 k( 50) = ( 0.0333333 0.5000000 -0.0000000), wk = 0.0026667 k( 51) = ( 0.0444444 0.5000000 0.0000000), wk = 0.0026667 k( 52) = ( 0.0555556 0.5000000 0.0000000), wk = 0.0026667 k( 53) = ( 0.0666667 0.5000000 -0.0000000), wk = 0.0026667 k( 54) = ( 0.0777778 0.5000000 0.0000000), wk = 0.0026667 k( 55) = ( 0.0888889 0.5000000 0.0000000), wk = 0.0026667 k( 56) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0026667 k( 57) = ( 0.1111111 0.5000000 -0.0000000), wk = 0.0026667 k( 58) = ( 0.1222222 0.5000000 -0.0000000), wk = 0.0026667 k( 59) = ( 0.1333333 0.5000000 -0.0000000), wk = 0.0026667 k( 60) = ( 0.1444444 0.5000000 -0.0000000), wk = 0.0026667 k( 61) = ( 0.1555556 0.5000000 0.0000000), wk = 0.0026667 k( 62) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0026667 k( 63) = ( 0.1777778 0.5000000 0.0000000), wk = 0.0026667 k( 64) = ( 0.1888889 0.5000000 0.0000000), wk = 0.0026667 k( 65) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0026667 k( 66) = ( 0.2111111 0.5000000 0.0000000), wk = 0.0026667 k( 67) = ( 0.2222222 0.5000000 0.0000000), wk = 0.0026667 k( 68) = ( 0.2333333 0.5000000 0.0000000), wk = 0.0026667 k( 69) = ( 0.2444444 0.5000000 0.0000000), wk = 0.0026667 k( 70) = ( 0.2555556 0.5000000 0.0000000), wk = 0.0026667 k( 71) = ( 0.2666667 0.5000000 -0.0000000), wk = 0.0026667 k( 72) = ( 0.2777778 0.5000000 -0.0000000), wk = 0.0026667 k( 73) = ( 0.2888889 0.5000000 -0.0000000), wk = 0.0026667 k( 74) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0026667 k( 75) = ( 0.3111111 0.5000000 -0.0000000), wk = 0.0026667 k( 76) = ( 0.3222222 0.5000000 -0.0000000), wk = 0.0026667 k( 77) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0026667 k( 78) = ( 0.3444444 0.5000000 -0.0000000), wk = 0.0026667 k( 79) = ( 0.3555556 0.5000000 -0.0000000), wk = 0.0026667 k( 80) = ( 0.3666667 0.5000000 -0.0000000), wk = 0.0026667 k( 81) = ( 0.3777778 0.5000000 -0.0000000), wk = 0.0026667 k( 82) = ( 0.3888889 0.5000000 -0.0000000), wk = 0.0026667 k( 83) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0026667 k( 84) = ( 0.4111111 0.5000000 -0.0000000), wk = 0.0026667 k( 85) = ( 0.4222222 0.5000000 -0.0000000), wk = 0.0026667 k( 86) = ( 0.4333333 0.5000000 -0.0000000), wk = 0.0026667 k( 87) = ( 0.4444444 0.5000000 0.0000000), wk = 0.0026667 k( 88) = ( 0.4555556 0.5000000 -0.0000000), wk = 0.0026667 k( 89) = ( 0.4666667 0.5000000 -0.0000000), wk = 0.0026667 k( 90) = ( 0.4777778 0.5000000 -0.0000000), wk = 0.0026667 k( 91) = ( 0.4888889 0.5000000 -0.0000000), wk = 0.0026667 k( 92) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026667 k( 93) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026667 k( 94) = ( 0.4920635 0.4920635 -0.0000000), wk = 0.0026667 k( 95) = ( 0.4841270 0.4841270 -0.0000000), wk = 0.0026667 k( 96) = ( 0.4761905 0.4761905 0.0000000), wk = 0.0026667 k( 97) = ( 0.4682540 0.4682540 0.0000000), wk = 0.0026667 k( 98) = ( 0.4603175 0.4603175 -0.0000000), wk = 0.0026667 k( 99) = ( 0.4523810 0.4523810 -0.0000000), wk = 0.0026667 k( 100) = ( 0.4444444 0.4444444 -0.0000000), wk = 0.0026667 k( 101) = ( 0.4365079 0.4365079 -0.0000000), wk = 0.0026667 k( 102) = ( 0.4285714 0.4285714 0.0000000), wk = 0.0026667 k( 103) = ( 0.4206349 0.4206349 -0.0000000), wk = 0.0026667 k( 104) = ( 0.4126984 0.4126984 -0.0000000), wk = 0.0026667 k( 105) = ( 0.4047619 0.4047619 0.0000000), wk = 0.0026667 k( 106) = ( 0.3968254 0.3968254 -0.0000000), wk = 0.0026667 k( 107) = ( 0.3888889 0.3888889 -0.0000000), wk = 0.0026667 k( 108) = ( 0.3809524 0.3809524 0.0000000), wk = 0.0026667 k( 109) = ( 0.3730159 0.3730159 0.0000000), wk = 0.0026667 k( 110) = ( 0.3650794 0.3650794 -0.0000000), wk = 0.0026667 k( 111) = ( 0.3571429 0.3571429 -0.0000000), wk = 0.0026667 k( 112) = ( 0.3492063 0.3492063 -0.0000000), wk = 0.0026667 k( 113) = ( 0.3412698 0.3412698 -0.0000000), wk = 0.0026667 k( 114) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0026667 k( 115) = ( 0.3253968 0.3253968 -0.0000000), wk = 0.0026667 k( 116) = ( 0.3174603 0.3174603 -0.0000000), wk = 0.0026667 k( 117) = ( 0.3095238 0.3095238 -0.0000000), wk = 0.0026667 k( 118) = ( 0.3015873 0.3015873 -0.0000000), wk = 0.0026667 k( 119) = ( 0.2936508 0.2936508 -0.0000000), wk = 0.0026667 k( 120) = ( 0.2857143 0.2857143 0.0000000), wk = 0.0026667 k( 121) = ( 0.2777778 0.2777778 -0.0000000), wk = 0.0026667 k( 122) = ( 0.2698413 0.2698413 0.0000000), wk = 0.0026667 k( 123) = ( 0.2619048 0.2619048 -0.0000000), wk = 0.0026667 k( 124) = ( 0.2539683 0.2539683 0.0000000), wk = 0.0026667 k( 125) = ( 0.2460317 0.2460317 -0.0000000), wk = 0.0026667 k( 126) = ( 0.2380952 0.2380952 0.0000000), wk = 0.0026667 k( 127) = ( 0.2301587 0.2301587 -0.0000000), wk = 0.0026667 k( 128) = ( 0.2222222 0.2222222 -0.0000000), wk = 0.0026667 k( 129) = ( 0.2142857 0.2142857 -0.0000000), wk = 0.0026667 k( 130) = ( 0.2063492 0.2063492 -0.0000000), wk = 0.0026667 k( 131) = ( 0.1984127 0.1984127 -0.0000000), wk = 0.0026667 k( 132) = ( 0.1904762 0.1904762 0.0000000), wk = 0.0026667 k( 133) = ( 0.1825397 0.1825397 0.0000000), wk = 0.0026667 k( 134) = ( 0.1746032 0.1746032 -0.0000000), wk = 0.0026667 k( 135) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0026667 k( 136) = ( 0.1587302 0.1587302 -0.0000000), wk = 0.0026667 k( 137) = ( 0.1507937 0.1507937 -0.0000000), wk = 0.0026667 k( 138) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0026667 k( 139) = ( 0.1349206 0.1349206 0.0000000), wk = 0.0026667 k( 140) = ( 0.1269841 0.1269841 -0.0000000), wk = 0.0026667 k( 141) = ( 0.1190476 0.1190476 0.0000000), wk = 0.0026667 k( 142) = ( 0.1111111 0.1111111 -0.0000000), wk = 0.0026667 k( 143) = ( 0.1031746 0.1031746 0.0000000), wk = 0.0026667 k( 144) = ( 0.0952381 0.0952381 -0.0000000), wk = 0.0026667 k( 145) = ( 0.0873016 0.0873016 0.0000000), wk = 0.0026667 k( 146) = ( 0.0793651 0.0793651 -0.0000000), wk = 0.0026667 k( 147) = ( 0.0714286 0.0714286 -0.0000000), wk = 0.0026667 k( 148) = ( 0.0634921 0.0634921 0.0000000), wk = 0.0026667 k( 149) = ( 0.0555556 0.0555556 -0.0000000), wk = 0.0026667 k( 150) = ( 0.0476191 0.0476191 -0.0000000), wk = 0.0026667 k( 151) = ( 0.0396825 0.0396825 -0.0000000), wk = 0.0026667 k( 152) = ( 0.0317460 0.0317460 0.0000000), wk = 0.0026667 k( 153) = ( 0.0238095 0.0238095 0.0000000), wk = 0.0026667 k( 154) = ( 0.0158730 0.0158730 0.0000000), wk = 0.0026667 k( 155) = ( 0.0079365 0.0079365 0.0000000), wk = 0.0026667 k( 156) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026667 k( 157) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026667 k( 158) = ( 0.0000000 0.0000000 0.0250000), wk = 0.0026667 k( 159) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0026667 k( 160) = ( 0.0000000 0.0000000 0.0750000), wk = 0.0026667 k( 161) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0026667 k( 162) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0026667 k( 163) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0026667 k( 164) = ( 0.0000000 0.0000000 0.1750000), wk = 0.0026667 k( 165) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0026667 k( 166) = ( 0.0000000 0.0000000 0.2250000), wk = 0.0026667 k( 167) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0026667 k( 168) = ( 0.0000000 0.0000000 0.2750000), wk = 0.0026667 k( 169) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0026667 k( 170) = ( 0.0000000 0.0000000 0.3250000), wk = 0.0026667 k( 171) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0026667 k( 172) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0026667 k( 173) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0026667 k( 174) = ( 0.0000000 0.0000000 0.4250000), wk = 0.0026667 k( 175) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0026667 k( 176) = ( 0.0000000 0.0000000 0.4750000), wk = 0.0026667 k( 177) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026667 k( 178) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026667 k( 179) = ( 0.0000000 0.0111111 0.5000000), wk = 0.0026667 k( 180) = ( 0.0000000 0.0222222 0.5000000), wk = 0.0026667 k( 181) = ( 0.0000000 0.0333333 0.5000000), wk = 0.0026667 k( 182) = ( 0.0000000 0.0444444 0.5000000), wk = 0.0026667 k( 183) = ( 0.0000000 0.0555556 0.5000000), wk = 0.0026667 k( 184) = ( 0.0000000 0.0666667 0.5000000), wk = 0.0026667 k( 185) = ( 0.0000000 0.0777778 0.5000000), wk = 0.0026667 k( 186) = ( 0.0000000 0.0888889 0.5000000), wk = 0.0026667 k( 187) = ( 0.0000000 0.1000000 0.5000000), wk = 0.0026667 k( 188) = ( 0.0000000 0.1111111 0.5000000), wk = 0.0026667 k( 189) = ( 0.0000000 0.1222222 0.5000000), wk = 0.0026667 k( 190) = ( 0.0000000 0.1333333 0.5000000), wk = 0.0026667 k( 191) = ( 0.0000000 0.1444444 0.5000000), wk = 0.0026667 k( 192) = ( 0.0000000 0.1555556 0.5000000), wk = 0.0026667 k( 193) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0026667 k( 194) = ( 0.0000000 0.1777778 0.5000000), wk = 0.0026667 k( 195) = ( 0.0000000 0.1888889 0.5000000), wk = 0.0026667 k( 196) = ( 0.0000000 0.2000000 0.5000000), wk = 0.0026667 k( 197) = ( 0.0000000 0.2111111 0.5000000), wk = 0.0026667 k( 198) = ( 0.0000000 0.2222222 0.5000000), wk = 0.0026667 k( 199) = ( 0.0000000 0.2333333 0.5000000), wk = 0.0026667 k( 200) = ( 0.0000000 0.2444444 0.5000000), wk = 0.0026667 k( 201) = ( 0.0000000 0.2555556 0.5000000), wk = 0.0026667 k( 202) = ( 0.0000000 0.2666667 0.5000000), wk = 0.0026667 k( 203) = ( 0.0000000 0.2777778 0.5000000), wk = 0.0026667 k( 204) = ( 0.0000000 0.2888889 0.5000000), wk = 0.0026667 k( 205) = ( 0.0000000 0.3000000 0.5000000), wk = 0.0026667 k( 206) = ( 0.0000000 0.3111111 0.5000000), wk = 0.0026667 k( 207) = ( 0.0000000 0.3222222 0.5000000), wk = 0.0026667 k( 208) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0026667 k( 209) = ( 0.0000000 0.3444444 0.5000000), wk = 0.0026667 k( 210) = ( 0.0000000 0.3555556 0.5000000), wk = 0.0026667 k( 211) = ( 0.0000000 0.3666667 0.5000000), wk = 0.0026667 k( 212) = ( 0.0000000 0.3777778 0.5000000), wk = 0.0026667 k( 213) = ( 0.0000000 0.3888889 0.5000000), wk = 0.0026667 k( 214) = ( 0.0000000 0.4000000 0.5000000), wk = 0.0026667 k( 215) = ( 0.0000000 0.4111111 0.5000000), wk = 0.0026667 k( 216) = ( 0.0000000 0.4222222 0.5000000), wk = 0.0026667 k( 217) = ( 0.0000000 0.4333333 0.5000000), wk = 0.0026667 k( 218) = ( 0.0000000 0.4444444 0.5000000), wk = 0.0026667 k( 219) = ( 0.0000000 0.4555556 0.5000000), wk = 0.0026667 k( 220) = ( 0.0000000 0.4666667 0.5000000), wk = 0.0026667 k( 221) = ( 0.0000000 0.4777778 0.5000000), wk = 0.0026667 k( 222) = ( 0.0000000 0.4888889 0.5000000), wk = 0.0026667 k( 223) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026667 k( 224) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026667 k( 225) = ( 0.0111111 0.5000000 0.5000000), wk = 0.0026667 k( 226) = ( 0.0222222 0.5000000 0.5000000), wk = 0.0026667 k( 227) = ( 0.0333333 0.5000000 0.5000000), wk = 0.0026667 k( 228) = ( 0.0444444 0.5000000 0.5000000), wk = 0.0026667 k( 229) = ( 0.0555556 0.5000000 0.5000000), wk = 0.0026667 k( 230) = ( 0.0666667 0.5000000 0.5000000), wk = 0.0026667 k( 231) = ( 0.0777778 0.5000000 0.5000000), wk = 0.0026667 k( 232) = ( 0.0888889 0.5000000 0.5000000), wk = 0.0026667 k( 233) = ( 0.1000000 0.5000000 0.5000000), wk = 0.0026667 k( 234) = ( 0.1111111 0.5000000 0.5000000), wk = 0.0026667 k( 235) = ( 0.1222222 0.5000000 0.5000000), wk = 0.0026667 k( 236) = ( 0.1333333 0.5000000 0.5000000), wk = 0.0026667 k( 237) = ( 0.1444444 0.5000000 0.5000000), wk = 0.0026667 k( 238) = ( 0.1555556 0.5000000 0.5000000), wk = 0.0026667 k( 239) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0026667 k( 240) = ( 0.1777778 0.5000000 0.5000000), wk = 0.0026667 k( 241) = ( 0.1888889 0.5000000 0.5000000), wk = 0.0026667 k( 242) = ( 0.2000000 0.5000000 0.5000000), wk = 0.0026667 k( 243) = ( 0.2111111 0.5000000 0.5000000), wk = 0.0026667 k( 244) = ( 0.2222222 0.5000000 0.5000000), wk = 0.0026667 k( 245) = ( 0.2333333 0.5000000 0.5000000), wk = 0.0026667 k( 246) = ( 0.2444444 0.5000000 0.5000000), wk = 0.0026667 k( 247) = ( 0.2555556 0.5000000 0.5000000), wk = 0.0026667 k( 248) = ( 0.2666667 0.5000000 0.5000000), wk = 0.0026667 k( 249) = ( 0.2777778 0.5000000 0.5000000), wk = 0.0026667 k( 250) = ( 0.2888889 0.5000000 0.5000000), wk = 0.0026667 k( 251) = ( 0.3000000 0.5000000 0.5000000), wk = 0.0026667 k( 252) = ( 0.3111111 0.5000000 0.5000000), wk = 0.0026667 k( 253) = ( 0.3222222 0.5000000 0.5000000), wk = 0.0026667 k( 254) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0026667 k( 255) = ( 0.3444444 0.5000000 0.5000000), wk = 0.0026667 k( 256) = ( 0.3555556 0.5000000 0.5000000), wk = 0.0026667 k( 257) = ( 0.3666667 0.5000000 0.5000000), wk = 0.0026667 k( 258) = ( 0.3777778 0.5000000 0.5000000), wk = 0.0026667 k( 259) = ( 0.3888889 0.5000000 0.5000000), wk = 0.0026667 k( 260) = ( 0.4000000 0.5000000 0.5000000), wk = 0.0026667 k( 261) = ( 0.4111111 0.5000000 0.5000000), wk = 0.0026667 k( 262) = ( 0.4222222 0.5000000 0.5000000), wk = 0.0026667 k( 263) = ( 0.4333333 0.5000000 0.5000000), wk = 0.0026667 k( 264) = ( 0.4444444 0.5000000 0.5000000), wk = 0.0026667 k( 265) = ( 0.4555556 0.5000000 0.5000000), wk = 0.0026667 k( 266) = ( 0.4666667 0.5000000 0.5000000), wk = 0.0026667 k( 267) = ( 0.4777778 0.5000000 0.5000000), wk = 0.0026667 k( 268) = ( 0.4888889 0.5000000 0.5000000), wk = 0.0026667 k( 269) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026667 k( 270) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026667 k( 271) = ( 0.4920635 0.4920635 0.5000000), wk = 0.0026667 k( 272) = ( 0.4841270 0.4841270 0.5000000), wk = 0.0026667 k( 273) = ( 0.4761905 0.4761905 0.5000000), wk = 0.0026667 k( 274) = ( 0.4682540 0.4682540 0.5000000), wk = 0.0026667 k( 275) = ( 0.4603175 0.4603175 0.5000000), wk = 0.0026667 k( 276) = ( 0.4523810 0.4523810 0.5000000), wk = 0.0026667 k( 277) = ( 0.4444444 0.4444444 0.5000000), wk = 0.0026667 k( 278) = ( 0.4365079 0.4365079 0.5000000), wk = 0.0026667 k( 279) = ( 0.4285714 0.4285714 0.5000000), wk = 0.0026667 k( 280) = ( 0.4206349 0.4206349 0.5000000), wk = 0.0026667 k( 281) = ( 0.4126984 0.4126984 0.5000000), wk = 0.0026667 k( 282) = ( 0.4047619 0.4047619 0.5000000), wk = 0.0026667 k( 283) = ( 0.3968254 0.3968254 0.5000000), wk = 0.0026667 k( 284) = ( 0.3888889 0.3888889 0.5000000), wk = 0.0026667 k( 285) = ( 0.3809524 0.3809524 0.5000000), wk = 0.0026667 k( 286) = ( 0.3730159 0.3730159 0.5000000), wk = 0.0026667 k( 287) = ( 0.3650794 0.3650794 0.5000000), wk = 0.0026667 k( 288) = ( 0.3571429 0.3571429 0.5000000), wk = 0.0026667 k( 289) = ( 0.3492063 0.3492063 0.5000000), wk = 0.0026667 k( 290) = ( 0.3412698 0.3412698 0.5000000), wk = 0.0026667 k( 291) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0026667 k( 292) = ( 0.3253968 0.3253968 0.5000000), wk = 0.0026667 k( 293) = ( 0.3174603 0.3174603 0.5000000), wk = 0.0026667 k( 294) = ( 0.3095238 0.3095238 0.5000000), wk = 0.0026667 k( 295) = ( 0.3015873 0.3015873 0.5000000), wk = 0.0026667 k( 296) = ( 0.2936508 0.2936508 0.5000000), wk = 0.0026667 k( 297) = ( 0.2857143 0.2857143 0.5000000), wk = 0.0026667 k( 298) = ( 0.2777778 0.2777778 0.5000000), wk = 0.0026667 k( 299) = ( 0.2698413 0.2698413 0.5000000), wk = 0.0026667 k( 300) = ( 0.2619048 0.2619048 0.5000000), wk = 0.0026667 k( 301) = ( 0.2539683 0.2539683 0.5000000), wk = 0.0026667 k( 302) = ( 0.2460317 0.2460317 0.5000000), wk = 0.0026667 k( 303) = ( 0.2380952 0.2380952 0.5000000), wk = 0.0026667 k( 304) = ( 0.2301587 0.2301587 0.5000000), wk = 0.0026667 k( 305) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0026667 k( 306) = ( 0.2142857 0.2142857 0.5000000), wk = 0.0026667 k( 307) = ( 0.2063492 0.2063492 0.5000000), wk = 0.0026667 k( 308) = ( 0.1984127 0.1984127 0.5000000), wk = 0.0026667 k( 309) = ( 0.1904762 0.1904762 0.5000000), wk = 0.0026667 k( 310) = ( 0.1825397 0.1825397 0.5000000), wk = 0.0026667 k( 311) = ( 0.1746032 0.1746032 0.5000000), wk = 0.0026667 k( 312) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0026667 k( 313) = ( 0.1587302 0.1587302 0.5000000), wk = 0.0026667 k( 314) = ( 0.1507937 0.1507937 0.5000000), wk = 0.0026667 k( 315) = ( 0.1428571 0.1428571 0.5000000), wk = 0.0026667 k( 316) = ( 0.1349206 0.1349206 0.5000000), wk = 0.0026667 k( 317) = ( 0.1269841 0.1269841 0.5000000), wk = 0.0026667 k( 318) = ( 0.1190476 0.1190476 0.5000000), wk = 0.0026667 k( 319) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0026667 k( 320) = ( 0.1031746 0.1031746 0.5000000), wk = 0.0026667 k( 321) = ( 0.0952381 0.0952381 0.5000000), wk = 0.0026667 k( 322) = ( 0.0873016 0.0873016 0.5000000), wk = 0.0026667 k( 323) = ( 0.0793651 0.0793651 0.5000000), wk = 0.0026667 k( 324) = ( 0.0714286 0.0714286 0.5000000), wk = 0.0026667 k( 325) = ( 0.0634921 0.0634921 0.5000000), wk = 0.0026667 k( 326) = ( 0.0555556 0.0555556 0.5000000), wk = 0.0026667 k( 327) = ( 0.0476191 0.0476191 0.5000000), wk = 0.0026667 k( 328) = ( 0.0396825 0.0396825 0.5000000), wk = 0.0026667 k( 329) = ( 0.0317460 0.0317460 0.5000000), wk = 0.0026667 k( 330) = ( 0.0238095 0.0238095 0.5000000), wk = 0.0026667 k( 331) = ( 0.0158730 0.0158730 0.5000000), wk = 0.0026667 k( 332) = ( 0.0079365 0.0079365 0.5000000), wk = 0.0026667 k( 333) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026667 k( 334) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026667 k( 335) = ( 0.0000000 0.5000000 0.0250000), wk = 0.0026667 k( 336) = ( 0.0000000 0.5000000 0.0500000), wk = 0.0026667 k( 337) = ( 0.0000000 0.5000000 0.0750000), wk = 0.0026667 k( 338) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0026667 k( 339) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0026667 k( 340) = ( 0.0000000 0.5000000 0.1500000), wk = 0.0026667 k( 341) = ( 0.0000000 0.5000000 0.1750000), wk = 0.0026667 k( 342) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0026667 k( 343) = ( 0.0000000 0.5000000 0.2250000), wk = 0.0026667 k( 344) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0026667 k( 345) = ( 0.0000000 0.5000000 0.2750000), wk = 0.0026667 k( 346) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0026667 k( 347) = ( 0.0000000 0.5000000 0.3250000), wk = 0.0026667 k( 348) = ( 0.0000000 0.5000000 0.3500000), wk = 0.0026667 k( 349) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0026667 k( 350) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0026667 k( 351) = ( 0.0000000 0.5000000 0.4250000), wk = 0.0026667 k( 352) = ( 0.0000000 0.5000000 0.4500000), wk = 0.0026667 k( 353) = ( 0.0000000 0.5000000 0.4750000), wk = 0.0026667 k( 354) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026667 k( 355) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026667 k( 356) = ( 0.5000000 0.5000000 0.0250000), wk = 0.0026667 k( 357) = ( 0.5000000 0.5000000 0.0500000), wk = 0.0026667 k( 358) = ( 0.5000000 0.5000000 0.0750000), wk = 0.0026667 k( 359) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0026667 k( 360) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0026667 k( 361) = ( 0.5000000 0.5000000 0.1500000), wk = 0.0026667 k( 362) = ( 0.5000000 0.5000000 0.1750000), wk = 0.0026667 k( 363) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0026667 k( 364) = ( 0.5000000 0.5000000 0.2250000), wk = 0.0026667 k( 365) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0026667 k( 366) = ( 0.5000000 0.5000000 0.2750000), wk = 0.0026667 k( 367) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0026667 k( 368) = ( 0.5000000 0.5000000 0.3250000), wk = 0.0026667 k( 369) = ( 0.5000000 0.5000000 0.3500000), wk = 0.0026667 k( 370) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0026667 k( 371) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0026667 k( 372) = ( 0.5000000 0.5000000 0.4250000), wk = 0.0026667 k( 373) = ( 0.5000000 0.5000000 0.4500000), wk = 0.0026667 k( 374) = ( 0.5000000 0.5000000 0.4750000), wk = 0.0026667 k( 375) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026667 Dense grid: 32593 G-vectors FFT dimensions: ( 32, 32, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.13 Mb ( 234, 36) NL pseudopotentials 0.30 Mb ( 117, 168) Each V/rho on FFT grid 0.03 Mb ( 2048) Each G-vector array 0.01 Mb ( 906) G-vector shells 0.00 Mb ( 442) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.51 Mb ( 234, 144) Each subspace H/S matrix 0.02 Mb ( 36, 36) Each matrix 0.18 Mb ( 168, 2, 36) The potential is recalculated from file : ./ZrSiS.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.5 secs Computing kpt #: 2 total cpu time spent up to now is 3.1 secs Computing kpt #: 3 total cpu time spent up to now is 3.5 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 4.5 secs Computing kpt #: 6 total cpu time spent up to now is 5.6 secs Computing kpt #: 7 total cpu time spent up to now is 6.0 secs Computing kpt #: 8 total cpu time spent up to now is 6.4 secs Computing kpt #: 9 total cpu time spent up to now is 6.8 secs Computing kpt #: 10 total cpu time spent up to now is 7.6 secs Computing kpt #: 11 total cpu time spent up to now is 7.9 secs Computing kpt #: 12 total cpu time spent up to now is 8.3 secs Computing kpt #: 13 total cpu time spent up to now is 8.6 secs Computing kpt #: 14 total cpu time spent up to now is 8.9 secs Computing kpt #: 15 total cpu time spent up to now is 9.2 secs Computing kpt #: 16 total cpu time spent up to now is 9.5 secs Computing kpt #: 17 total cpu time spent up to now is 9.9 secs Computing kpt #: 18 total cpu time spent up to now is 10.1 secs Computing kpt #: 19 total cpu time spent up to now is 10.4 secs Computing kpt #: 20 total cpu time spent up to now is 10.7 secs Computing kpt #: 21 total cpu time spent up to now is 11.0 secs Computing kpt #: 22 total cpu time spent up to now is 11.3 secs Computing kpt #: 23 total cpu time spent up to now is 11.6 secs Computing kpt #: 24 total cpu time spent up to now is 11.9 secs Computing kpt #: 25 total cpu time spent up to now is 12.3 secs Computing kpt #: 26 total cpu time spent up to now is 12.6 secs Computing kpt #: 27 total cpu time spent up to now is 13.0 secs Computing kpt #: 28 total cpu time spent up to now is 13.5 secs Computing kpt #: 29 total cpu time spent up to now is 14.3 secs Computing kpt #: 30 total cpu time spent up to now is 14.8 secs Computing kpt #: 31 total cpu time spent up to now is 15.2 secs Computing kpt #: 32 total cpu time spent up to now is 15.5 secs Computing kpt #: 33 total cpu time spent up to now is 15.9 secs Computing kpt #: 34 total cpu time spent up to now is 16.3 secs Computing kpt #: 35 total cpu time spent up to now is 16.6 secs Computing kpt #: 36 total cpu time spent up to now is 17.0 secs Computing kpt #: 37 total cpu time spent up to now is 17.3 secs Computing kpt #: 38 total cpu time spent up to now is 17.7 secs Computing kpt #: 39 total cpu time spent up to now is 18.1 secs Computing kpt #: 40 total cpu time spent up to now is 18.7 secs Computing kpt #: 41 total cpu time spent up to now is 19.1 secs Computing kpt #: 42 total cpu time spent up to now is 19.5 secs Computing kpt #: 43 total cpu time spent up to now is 20.0 secs Computing kpt #: 44 total cpu time spent up to now is 20.3 secs Computing kpt #: 45 total cpu time spent up to now is 20.7 secs Computing kpt #: 46 total cpu time spent up to now is 21.1 secs Computing kpt #: 47 total cpu time spent up to now is 21.5 secs Computing kpt #: 48 total cpu time spent up to now is 21.9 secs Computing kpt #: 49 total cpu time spent up to now is 22.3 secs Computing kpt #: 50 total cpu time spent up to now is 22.6 secs Computing kpt #: 51 total cpu time spent up to now is 23.0 secs Computing kpt #: 52 total cpu time spent up to now is 23.4 secs Computing kpt #: 53 total cpu time spent up to now is 23.8 secs Computing kpt #: 54 total cpu time spent up to now is 24.2 secs Computing kpt #: 55 total cpu time spent up to now is 24.6 secs Computing kpt #: 56 total cpu time spent up to now is 25.0 secs Computing kpt #: 57 total cpu time spent up to now is 25.5 secs Computing kpt #: 58 total cpu time spent up to now is 25.8 secs Computing kpt #: 59 total cpu time spent up to now is 26.2 secs Computing kpt #: 60 total cpu time spent up to now is 26.6 secs Computing kpt #: 61 total cpu time spent up to now is 26.9 secs Computing kpt #: 62 total cpu time spent up to now is 27.3 secs Computing kpt #: 63 total cpu time spent up to now is 27.7 secs Computing kpt #: 64 total cpu time spent up to now is 28.1 secs Computing kpt #: 65 total cpu time spent up to now is 28.4 secs Computing kpt #: 66 total cpu time spent up to now is 28.8 secs Computing kpt #: 67 total cpu time spent up to now is 29.3 secs Computing kpt #: 68 total cpu time spent up to now is 29.7 secs Computing kpt #: 69 total cpu time spent up to now is 30.1 secs Computing kpt #: 70 total cpu time spent up to now is 30.5 secs Computing kpt #: 71 total cpu time spent up to now is 30.9 secs Computing kpt #: 72 total cpu time spent up to now is 31.3 secs Computing kpt #: 73 total cpu time spent up to now is 31.7 secs Computing kpt #: 74 total cpu time spent up to now is 32.1 secs Computing kpt #: 75 total cpu time spent up to now is 32.5 secs Computing kpt #: 76 total cpu time spent up to now is 32.9 secs Computing kpt #: 77 total cpu time spent up to now is 33.3 secs Computing kpt #: 78 total cpu time spent up to now is 33.7 secs Computing kpt #: 79 total cpu 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Computing kpt #: 95 total cpu time spent up to now is 41.1 secs Computing kpt #: 96 total cpu time spent up to now is 41.5 secs Computing kpt #: 97 total cpu time spent up to now is 42.1 secs Computing kpt #: 98 total cpu time spent up to now is 42.6 secs Computing kpt #: 99 total cpu time spent up to now is 43.3 secs Computing kpt #: 100 total cpu time spent up to now is 43.9 secs Computing kpt #: 101 total cpu time spent up to now is 44.6 secs Computing kpt #: 102 total cpu time spent up to now is 45.1 secs Computing kpt #: 103 total cpu time spent up to now is 45.8 secs Computing kpt #: 104 total cpu time spent up to now is 46.2 secs Computing kpt #: 105 total cpu time spent up to now is 46.7 secs Computing kpt #: 106 total cpu time spent up to now is 47.1 secs Computing kpt #: 107 total cpu time spent up to now is 47.5 secs Computing kpt #: 108 total cpu time spent up to now is 48.1 secs Computing kpt #: 109 total cpu time spent up to now is 48.6 secs Computing kpt #: 110 total cpu 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56.2 secs Computing kpt #: 126 total cpu time spent up to now is 56.7 secs Computing kpt #: 127 total cpu time spent up to now is 57.2 secs Computing kpt #: 128 total cpu time spent up to now is 57.6 secs Computing kpt #: 129 total cpu time spent up to now is 58.1 secs Computing kpt #: 130 total cpu time spent up to now is 58.6 secs Computing kpt #: 131 total cpu time spent up to now is 59.1 secs Computing kpt #: 132 total cpu time spent up to now is 59.7 secs Computing kpt #: 133 total cpu time spent up to now is 60.5 secs Computing kpt #: 134 total cpu time spent up to now is 60.9 secs Computing kpt #: 135 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 61.8 secs Computing kpt #: 136 total cpu time spent up to now is 62.2 secs Computing kpt #: 137 total cpu time spent up to now is 62.5 secs Computing kpt #: 138 total cpu time spent up to now is 62.9 secs Computing kpt #: 139 total cpu time spent up to now is 63.2 secs Computing kpt #: 140 total cpu time spent up to now is 63.5 secs Computing kpt #: 141 total cpu time spent up to now is 63.9 secs Computing kpt #: 142 total cpu time spent up to now is 64.2 secs Computing kpt #: 143 total cpu time spent up to now is 64.6 secs Computing kpt #: 144 total cpu time spent up to now is 64.9 secs Computing kpt #: 145 total cpu time spent up to now is 65.3 secs Computing kpt #: 146 total cpu time spent up to now is 65.6 secs Computing kpt #: 147 total cpu time spent up to now is 66.0 secs Computing kpt #: 148 total cpu time spent up to now is 66.4 secs Computing kpt #: 149 total cpu time spent up to now is 66.7 secs Computing kpt #: 150 total cpu time spent up to now is 67.1 secs Computing kpt #: 151 total cpu time spent up to now is 67.5 secs Computing kpt #: 152 total cpu time spent up to now is 68.0 secs Computing kpt #: 153 total cpu time spent up to now is 68.5 secs Computing kpt #: 154 total cpu time spent up to now is 69.0 secs Computing kpt #: 155 total cpu time spent up to now is 69.5 secs Computing kpt #: 156 total cpu time spent up to now is 70.2 secs Computing kpt #: 157 total cpu time spent up to now is 70.7 secs Computing kpt #: 158 total cpu time spent up to now is 71.3 secs Computing kpt #: 159 total cpu time spent up to now is 71.8 secs Computing kpt #: 160 total cpu time spent up to now is 72.4 secs Computing kpt #: 161 total cpu time spent up to now is 73.0 secs Computing kpt #: 162 total cpu time spent up to now is 73.6 secs Computing kpt #: 163 total cpu time spent up to now is 74.3 secs Computing kpt #: 164 total cpu time spent up to now is 75.0 secs Computing kpt #: 165 total cpu time spent up to now is 75.8 secs Computing kpt #: 166 total cpu time spent up to now is 76.7 secs Computing kpt #: 167 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 77.7 secs Computing kpt #: 168 total cpu time spent up to now is 78.2 secs Computing kpt #: 169 total cpu time spent up to now is 78.8 secs Computing kpt #: 170 total cpu time spent up to now is 79.3 secs Computing kpt #: 171 total cpu time spent up to now is 79.9 secs Computing kpt #: 172 total cpu time spent up to now is 80.3 secs Computing kpt #: 173 total cpu time spent up to now is 80.8 secs Computing kpt #: 174 total cpu time spent up to now is 81.2 secs Computing kpt #: 175 total cpu time spent up to now is 81.6 secs Computing kpt #: 176 total cpu time spent up to now is 82.1 secs Computing kpt #: 177 total cpu time spent up to now is 82.5 secs Computing kpt #: 178 total cpu time spent up to now is 83.0 secs Computing kpt #: 179 total cpu time spent up to now is 83.4 secs Computing kpt #: 180 total cpu time spent up to now is 83.9 secs Computing kpt #: 181 total cpu time spent up to now is 84.3 secs Computing kpt #: 182 total cpu time spent up to now is 84.7 secs Computing kpt #: 183 total cpu time spent up to now is 85.1 secs Computing kpt #: 184 total cpu time spent up to now is 85.5 secs Computing kpt #: 185 total cpu time spent up to now is 85.8 secs Computing kpt #: 186 total cpu time spent up to now is 86.3 secs Computing kpt #: 187 total cpu time spent up to now is 86.7 secs Computing kpt #: 188 total cpu time spent up to now is 87.1 secs Computing kpt #: 189 total cpu time spent up to now is 87.5 secs Computing kpt #: 190 total cpu time spent up to now is 88.1 secs Computing kpt #: 191 total cpu time spent up to now is 88.6 secs Computing kpt #: 192 total cpu time spent up to now is 89.1 secs Computing kpt #: 193 total cpu time spent up to now is 89.6 secs Computing kpt #: 194 total cpu time spent up to now is 90.1 secs Computing kpt #: 195 total cpu time spent up to now is 90.6 secs Computing kpt #: 196 total cpu time spent up to now is 91.1 secs Computing kpt #: 197 total cpu time spent up to now is 91.5 secs Computing kpt #: 198 total cpu time spent up to now is 92.0 secs Computing kpt #: 199 total cpu time spent up to now is 92.4 secs Computing kpt #: 200 total cpu time spent up to now is 92.8 secs Computing kpt #: 201 total cpu time spent up to now is 93.2 secs Computing kpt #: 202 total cpu time spent up to now is 93.6 secs Computing kpt #: 203 total cpu time spent up to now is 94.0 secs Computing kpt #: 204 total cpu time spent up to now is 94.4 secs Computing kpt #: 205 total cpu time spent up to now is 94.8 secs Computing kpt #: 206 total cpu time spent up to now is 95.2 secs Computing kpt #: 207 total cpu time spent up to now is 95.8 secs Computing kpt #: 208 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 96.8 secs Computing kpt #: 209 total cpu time spent up to now is 97.4 secs Computing kpt #: 210 total cpu time spent up to now is 97.8 secs Computing kpt #: 211 total cpu time spent up to now is 98.2 secs Computing kpt #: 212 total cpu time spent up to now is 98.6 secs Computing kpt #: 213 total cpu time spent up to now is 98.9 secs Computing kpt #: 214 total cpu time spent up to now is 99.3 secs Computing kpt #: 215 total cpu time spent up to now is 99.7 secs Computing kpt #: 216 total cpu time spent up to now is 100.1 secs Computing kpt #: 217 total cpu time spent up to now is 100.5 secs Computing kpt #: 218 total cpu time spent up to now is 100.9 secs Computing kpt #: 219 total cpu time spent up to now is 101.2 secs Computing kpt #: 220 total cpu time spent up to now is 101.6 secs Computing kpt #: 221 total cpu time spent up to now is 101.9 secs Computing kpt #: 222 total cpu time spent up to now is 102.2 secs Computing kpt #: 223 total cpu time spent up to now is 102.6 secs Computing kpt #: 224 total cpu time spent up to now is 102.9 secs Computing kpt #: 225 total cpu time spent up to now is 103.2 secs Computing kpt #: 226 total cpu time spent up to now is 103.6 secs Computing kpt #: 227 total cpu time spent up to now is 103.9 secs Computing kpt #: 228 total cpu time spent up to now is 104.2 secs Computing kpt #: 229 total cpu time spent up to now is 104.5 secs Computing kpt #: 230 total cpu time spent up to now is 104.9 secs Computing kpt #: 231 total cpu time spent up to now is 105.2 secs Computing kpt #: 232 total cpu time spent up to now is 105.5 secs Computing kpt #: 233 total cpu time spent up to now is 105.9 secs Computing kpt #: 234 total cpu time spent up to now is 106.2 secs Computing kpt #: 235 total cpu time spent up to now is 106.5 secs Computing kpt #: 236 total cpu time spent up to now is 106.9 secs Computing kpt #: 237 total cpu time spent up to now is 107.2 secs Computing kpt #: 238 total cpu time spent up to now is 107.5 secs Computing kpt #: 239 total cpu time spent up to now is 107.9 secs Computing kpt #: 240 total cpu time spent up to now is 108.2 secs Computing kpt #: 241 total cpu time spent up to now is 108.6 secs Computing kpt #: 242 total cpu time spent up to now is 109.0 secs Computing kpt #: 243 total cpu time spent up to now is 109.3 secs Computing kpt #: 244 total cpu time spent up to now is 109.7 secs Computing kpt #: 245 total cpu time spent up to now is 110.1 secs Computing kpt #: 246 total cpu time spent up to now is 110.6 secs Computing kpt #: 247 total cpu time spent up to now is 111.0 secs Computing kpt #: 248 total cpu time spent up to now is 111.3 secs Computing kpt #: 249 total cpu time spent up to now is 111.7 secs Computing kpt #: 250 total cpu time spent up to now is 112.1 secs Computing kpt #: 251 total cpu time spent up to now is 112.5 secs Computing kpt #: 252 total cpu time spent up to now is 112.9 secs Computing kpt #: 253 total cpu time spent up to now is 113.3 secs Computing kpt #: 254 total cpu time spent up to now is 113.8 secs Computing kpt #: 255 total cpu time spent up to now is 114.2 secs Computing kpt #: 256 total cpu time spent up to now is 114.6 secs Computing kpt #: 257 total cpu time spent up to now is 115.1 secs Computing kpt #: 258 total cpu time spent up to now is 115.5 secs Computing kpt #: 259 total cpu time spent up to now is 116.0 secs Computing kpt #: 260 total cpu time spent up to now is 116.4 secs Computing kpt #: 261 total cpu time spent up to now is 116.9 secs Computing kpt #: 262 total cpu time spent up to now is 117.3 secs Computing kpt #: 263 total cpu time spent up to now is 117.8 secs Computing kpt #: 264 total cpu time spent up to now is 118.3 secs Computing kpt #: 265 total cpu time spent up to now is 118.9 secs Computing kpt #: 266 total cpu time spent up to now is 119.4 secs Computing kpt #: 267 total cpu time spent up to now is 119.9 secs Computing kpt #: 268 total cpu time spent up to now is 120.5 secs Computing kpt #: 269 total cpu time spent up to now is 121.0 secs Computing kpt #: 270 total cpu time spent up to now is 121.6 secs Computing kpt #: 271 total cpu time spent up to now is 122.2 secs Computing kpt #: 272 total cpu time spent up to now is 122.7 secs Computing kpt #: 273 total cpu time spent up to now is 123.3 secs Computing kpt #: 274 total cpu time spent up to now is 123.8 secs Computing kpt #: 275 total cpu time spent up to now is 124.3 secs Computing kpt #: 276 total cpu time spent up to now is 124.8 secs Computing kpt #: 277 total cpu time spent up to now is 125.2 secs Computing kpt #: 278 total cpu time spent up to now is 125.7 secs Computing kpt #: 279 total cpu time spent up to now is 126.1 secs Computing kpt #: 280 total cpu time spent up to now is 126.6 secs Computing kpt #: 281 total cpu time spent up to now is 127.0 secs Computing kpt #: 282 total cpu time spent up to now is 127.5 secs Computing kpt #: 283 total cpu time spent up to now is 128.0 secs Computing kpt #: 284 total cpu time spent up to now is 128.5 secs Computing kpt #: 285 total cpu time spent up to now is 129.1 secs Computing kpt #: 286 total cpu time spent up to now is 129.6 secs Computing kpt #: 287 total cpu time spent up to now is 130.3 secs Computing kpt #: 288 total cpu time spent up to now is 131.2 secs Computing kpt #: 289 total cpu time spent up to now is 131.6 secs Computing kpt #: 290 total cpu time spent up to now is 131.9 secs Computing kpt #: 291 total cpu time spent up to now is 132.3 secs Computing kpt #: 292 total cpu time spent up to now is 132.6 secs Computing kpt #: 293 total cpu time spent up to now is 133.0 secs Computing kpt #: 294 total cpu time spent up to now is 133.3 secs Computing kpt #: 295 total cpu time spent up to now is 133.6 secs Computing kpt #: 296 total cpu time spent up to now is 133.9 secs Computing kpt #: 297 total cpu time spent up to now is 134.3 secs Computing kpt #: 298 total cpu time spent up to now is 134.6 secs Computing kpt #: 299 total cpu time spent up to now is 135.0 secs Computing kpt #: 300 total cpu time spent up to now is 135.4 secs Computing kpt #: 301 total cpu time spent up to now is 135.7 secs Computing kpt #: 302 total cpu time spent up to now is 136.1 secs Computing kpt #: 303 total cpu time spent up to now is 136.5 secs Computing kpt #: 304 total cpu time spent up to now is 137.0 secs Computing kpt #: 305 total cpu time spent up to now is 137.5 secs Computing kpt #: 306 total cpu time spent up to now is 138.0 secs Computing kpt #: 307 total cpu time spent up to now is 138.5 secs Computing kpt #: 308 total cpu time spent up to now is 139.1 secs Computing kpt #: 309 total cpu time spent up to now is 139.6 secs Computing kpt #: 310 total cpu time spent up to now is 140.4 secs Computing kpt #: 311 total cpu time spent up to now is 141.2 secs Computing kpt #: 312 total cpu time spent up to now is 141.9 secs Computing kpt #: 313 total cpu time spent up to now is 142.5 secs Computing kpt #: 314 total cpu time spent up to now is 143.1 secs Computing kpt #: 315 total cpu time spent up to now is 143.5 secs Computing kpt #: 316 total cpu time spent up to now is 143.9 secs Computing kpt #: 317 total cpu time spent up to now is 144.3 secs Computing kpt #: 318 total cpu time spent up to now is 144.6 secs Computing kpt #: 319 total cpu time spent up to now is 145.0 secs Computing kpt #: 320 total cpu time spent up to now is 145.4 secs Computing kpt #: 321 total cpu time spent up to now is 145.8 secs Computing kpt #: 322 total cpu time spent up to now is 146.1 secs Computing kpt #: 323 total cpu time spent up to now is 146.5 secs Computing kpt #: 324 total cpu time spent up to now is 146.9 secs Computing kpt #: 325 total cpu time spent up to now is 147.3 secs Computing kpt #: 326 total cpu time spent up to now is 147.8 secs Computing kpt #: 327 total cpu time spent up to now is 148.2 secs Computing kpt #: 328 total cpu time spent up to now is 148.6 secs Computing kpt #: 329 total cpu time spent up to now is 149.0 secs Computing kpt #: 330 total cpu time spent up to now is 149.3 secs Computing kpt #: 331 total cpu time spent up to now is 149.8 secs Computing kpt #: 332 total cpu time spent up to now is 150.3 secs Computing kpt #: 333 total cpu time spent up to now is 150.8 secs Computing kpt #: 334 total cpu time spent up to now is 151.2 secs Computing kpt #: 335 total cpu time spent up to now is 151.6 secs Computing kpt #: 336 total cpu time spent up to now is 152.0 secs Computing kpt #: 337 total cpu time spent up to now is 152.5 secs Computing kpt #: 338 total cpu time spent up to now is 152.9 secs Computing kpt #: 339 total cpu time spent up to now is 153.3 secs Computing kpt #: 340 total cpu time spent up to now is 153.8 secs Computing kpt #: 341 total cpu time spent up to now is 154.4 secs Computing kpt #: 342 total cpu time spent up to now is 155.0 secs Computing kpt #: 343 total cpu time spent up to now is 155.4 secs Computing kpt #: 344 total cpu time spent up to now is 155.8 secs Computing kpt #: 345 total cpu time spent up to now is 156.2 secs Computing kpt #: 346 total cpu time spent up to now is 156.5 secs Computing kpt #: 347 total cpu time spent up to now is 156.9 secs Computing kpt #: 348 total cpu time spent up to now is 157.2 secs Computing kpt #: 349 total cpu time spent up to now is 157.5 secs Computing kpt #: 350 total cpu time spent up to now is 157.9 secs Computing kpt #: 351 total cpu time spent up to now is 158.2 secs Computing kpt #: 352 total cpu time spent up to now is 158.5 secs Computing kpt #: 353 total cpu time spent up to now is 158.9 secs Computing kpt #: 354 total cpu time spent up to now is 159.2 secs Computing kpt #: 355 total cpu time spent up to now is 159.6 secs Computing kpt #: 356 total cpu time spent up to now is 160.0 secs Computing kpt #: 357 total cpu time spent up to now is 160.5 secs Computing kpt #: 358 total cpu time spent up to now is 160.9 secs Computing kpt #: 359 total cpu time spent up to now is 161.3 secs Computing kpt #: 360 total cpu time spent up to now is 161.7 secs Computing kpt #: 361 total cpu time spent up to now is 162.2 secs Computing kpt #: 362 total cpu time spent up to now is 162.6 secs Computing kpt #: 363 total cpu time spent up to now is 163.0 secs Computing kpt #: 364 total cpu time spent up to now is 163.5 secs Computing kpt #: 365 total cpu time spent up to now is 163.9 secs Computing kpt #: 366 total cpu time spent up to now is 164.5 secs Computing kpt #: 367 total cpu time spent up to now is 165.1 secs Computing kpt #: 368 total cpu time spent up to now is 165.7 secs Computing kpt #: 369 total cpu time spent up to now is 166.2 secs Computing kpt #: 370 total cpu time spent up to now is 166.8 secs Computing kpt #: 371 total cpu time spent up to now is 167.4 secs Computing kpt #: 372 total cpu time spent up to now is 168.0 secs Computing kpt #: 373 total cpu time spent up to now is 168.6 secs Computing kpt #: 374 total cpu time spent up to now is 169.2 secs Computing kpt #: 375 total cpu time spent up to now is 169.7 secs ethr = 3.57E-08, avg # of iterations = 36.9 total cpu time spent up to now is 169.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4067 PWs) bands (ev): -4.8739 -4.8739 -3.3648 -3.3648 -1.5470 -1.5470 4.3456 4.3456 5.0343 5.0343 6.2302 6.2302 6.3046 6.3046 7.0641 7.0641 7.7731 7.7731 7.7804 7.7804 7.9839 7.9839 8.0589 8.0589 8.1577 8.1577 9.0279 9.0279 10.5582 10.5582 11.1177 11.1177 11.4345 11.4345 11.5036 11.5036 k = 0.0000 0.0111-0.0000 ( 4079 PWs) bands (ev): -4.8728 -4.8728 -3.3642 -3.3642 -1.5457 -1.5457 4.3467 4.3467 5.0305 5.0305 6.2299 6.2299 6.3041 6.3041 7.0514 7.0514 7.7754 7.7754 7.7849 7.7849 7.9515 7.9515 8.0743 8.0743 8.1681 8.1681 9.0294 9.0294 10.5621 10.5621 11.1250 11.1250 11.4031 11.4031 11.5176 11.5176 k = 0.0000 0.0222-0.0000 ( 4083 PWs) bands (ev): -4.8697 -4.8697 -3.3626 -3.3626 -1.5420 -1.5420 4.3501 4.3501 5.0190 5.0190 6.2290 6.2290 6.3027 6.3027 7.0143 7.0143 7.7778 7.7778 7.8021 7.8021 7.8910 7.8910 8.0822 8.0822 8.2012 8.2012 9.0339 9.0339 10.5732 10.5732 11.1472 11.1472 11.3527 11.3527 11.5157 11.5157 k = 0.0000 0.0333-0.0000 ( 4083 PWs) bands (ev): -4.8646 -4.8646 -3.3599 -3.3599 -1.5358 -1.5358 4.3558 4.3558 5.0000 5.0000 6.2275 6.2275 6.3005 6.3005 6.9553 6.9553 7.7803 7.7803 7.8214 7.8214 7.8311 7.8311 8.0729 8.0729 8.2477 8.2477 9.0408 9.0408 10.5905 10.5905 11.1840 11.1840 11.3033 11.3033 11.5004 11.5004 k = 0.0000 0.0444-0.0000 ( 4075 PWs) bands (ev): -4.8574 -4.8574 -3.3561 -3.3561 -1.5271 -1.5271 4.3638 4.3638 4.9738 4.9738 6.2254 6.2254 6.2974 6.2974 6.8777 6.8777 7.7463 7.7463 7.7836 7.7836 7.8687 7.8687 8.0532 8.0532 8.2980 8.2980 9.0495 9.0495 10.6121 10.6121 11.2318 11.2318 11.2615 11.2615 11.4774 11.4774 k = 0.0000 0.0556-0.0000 ( 4075 PWs) bands (ev): -4.8481 -4.8481 -3.3513 -3.3513 -1.5159 -1.5159 4.3739 4.3739 4.9406 4.9406 6.2226 6.2226 6.2936 6.2936 6.7854 6.7854 7.6665 7.6665 7.7878 7.7878 7.9139 7.9139 8.0260 8.0260 8.3488 8.3488 9.0593 9.0593 10.6367 10.6367 11.2120 11.2120 11.3061 11.3061 11.4482 11.4482 k = 0.0000 0.0667-0.0000 ( 4073 PWs) bands (ev): -4.8369 -4.8369 -3.3455 -3.3455 -1.5023 -1.5023 4.3863 4.3863 4.9008 4.9008 6.2185 6.2185 6.2885 6.2885 6.6823 6.6823 7.5824 7.5824 7.7931 7.7931 7.9652 7.9652 7.9928 7.9928 8.3991 8.3991 9.0696 9.0696 10.6629 10.6629 11.1751 11.1751 11.3846 11.3846 11.4151 11.4151 k = 0.0000 0.0778-0.0000 ( 4079 PWs) bands (ev): -4.8236 -4.8236 -3.3387 -3.3387 -1.4861 -1.4861 4.4009 4.4009 4.8551 4.8551 6.2113 6.2113 6.2811 6.2811 6.5744 6.5744 7.4944 7.4944 7.7996 7.7996 7.9534 7.9534 8.0224 8.0224 8.4484 8.4484 9.0799 9.0799 10.6900 10.6900 11.1419 11.1419 11.3739 11.3739 11.4793 11.4793 k = 0.0000 0.0889-0.0000 ( 4085 PWs) bands (ev): -4.8084 -4.8084 -3.3311 -3.3311 -1.4675 -1.4675 4.4176 4.4176 4.8038 4.8038 6.1941 6.1941 6.2688 6.2688 6.4731 6.4731 7.4026 7.4026 7.8075 7.8075 7.9098 7.9098 8.0836 8.0836 8.4969 8.4969 9.0898 9.0898 10.7174 10.7174 11.1127 11.1127 11.3321 11.3321 11.5809 11.5809 k = 0.0000 0.1000-0.0000 ( 4091 PWs) bands (ev): -4.7912 -4.7912 -3.3226 -3.3226 -1.4463 -1.4463 4.4363 4.4363 4.7478 4.7478 6.1459 6.1459 6.2529 6.2529 6.4005 6.4005 7.3075 7.3075 7.8168 7.8168 7.8618 7.8618 8.1485 8.1485 8.5445 8.5445 9.0991 9.0991 10.7452 10.7452 11.0874 11.0874 11.2877 11.2877 11.6844 11.6844 k = 0.0000 0.1111-0.0000 ( 4095 PWs) bands (ev): -4.7720 -4.7720 -3.3134 -3.3134 -1.4227 -1.4227 4.4570 4.4570 4.6876 4.6876 6.0489 6.0489 6.2410 6.2410 6.3680 6.3680 7.2093 7.2093 7.8098 7.8098 7.8281 7.8281 8.2165 8.2165 8.5910 8.5910 9.1076 9.1076 10.7733 10.7733 11.0658 11.0658 11.2420 11.2420 11.7251 11.7251 k = 0.0000 0.1222-0.0000 ( 4099 PWs) bands (ev): -4.7510 -4.7510 -3.3035 -3.3035 -1.3966 -1.3966 4.4796 4.4796 4.6240 4.6240 5.9206 5.9206 6.2331 6.2331 6.3595 6.3595 7.1085 7.1085 7.7548 7.7548 7.8407 7.8407 8.2869 8.2869 8.6365 8.6365 9.1154 9.1154 10.8019 10.8019 11.0473 11.0473 11.1961 11.1961 11.7397 11.7397 k = 0.0000 0.1333-0.0000 ( 4099 PWs) bands (ev): -4.7282 -4.7282 -3.2930 -3.2930 -1.3680 -1.3680 4.5035 4.5035 4.5579 4.5579 5.7778 5.7778 6.2264 6.2264 6.3619 6.3619 7.0053 7.0053 7.6970 7.6970 7.8554 7.8554 8.3592 8.3592 8.6806 8.6806 9.1222 9.1222 10.8308 10.8308 11.0318 11.0318 11.1511 11.1511 11.7546 11.7546 k = 0.0000 0.1444-0.0000 ( 4091 PWs) bands (ev): -4.7035 -4.7035 -3.2820 -3.2820 -1.3369 -1.3369 4.4873 4.4873 4.5317 4.5317 5.6274 5.6274 6.2195 6.2195 6.3703 6.3703 6.9002 6.9002 7.6369 7.6369 7.8722 7.8722 8.4328 8.4328 8.7232 8.7232 9.1283 9.1283 10.8600 10.8600 11.0188 11.0188 11.1083 11.1083 11.7710 11.7710 k = 0.0000 0.1556-0.0000 ( 4095 PWs) bands (ev): -4.6771 -4.6771 -3.2706 -3.2706 -1.3033 -1.3033 4.4177 4.4177 4.5587 4.5587 5.4727 5.4727 6.2121 6.2121 6.3828 6.3828 6.7937 6.7937 7.5750 7.5750 7.8912 7.8912 8.5068 8.5068 8.7639 8.7639 9.1338 9.1338 10.8888 10.8888 11.0079 11.0079 11.0696 11.0696 11.7893 11.7893 k = 0.0000 0.1667-0.0000 ( 4095 PWs) bands (ev): -4.6489 -4.6489 -3.2589 -3.2589 -1.2672 -1.2672 4.3465 4.3465 4.5877 4.5877 5.3152 5.3152 6.2040 6.2040 6.3982 6.3982 6.6863 6.6863 7.5117 7.5117 7.9124 7.9124 8.5805 8.5805 8.8022 8.8022 9.1391 9.1391 10.9146 10.9146 10.9999 10.9999 11.0376 11.0376 11.8097 11.8097 k = 0.0000 0.1778-0.0000 ( 4087 PWs) bands (ev): -4.6191 -4.6191 -3.2471 -3.2471 -1.2286 -1.2286 4.2748 4.2748 4.6179 4.6179 5.1561 5.1561 6.1951 6.1951 6.4159 6.4159 6.5786 6.5786 7.4474 7.4474 7.9361 7.9361 8.6526 8.6526 8.8375 8.8375 9.1451 9.1451 10.9290 10.9290 11.0009 11.0009 11.0152 11.0152 11.8321 11.8321 k = 0.0000 0.1889-0.0000 ( 4091 PWs) bands (ev): -4.5877 -4.5877 -3.2352 -3.2352 -1.1876 -1.1876 4.2032 4.2032 4.6490 4.6490 4.9959 4.9959 6.1854 6.1854 6.4338 6.4338 6.4727 6.4727 7.3824 7.3824 7.9623 7.9623 8.7212 8.7212 8.8693 8.8693 9.1530 9.1530 10.9237 10.9237 11.0007 11.0007 11.0217 11.0217 11.8567 11.8567 k = 0.0000 0.2000-0.0000 ( 4095 PWs) bands (ev): -4.5548 -4.5548 -3.2234 -3.2234 -1.1440 -1.1440 4.1319 4.1319 4.6805 4.6805 4.8354 4.8354 6.1751 6.1751 6.3622 6.3622 6.4588 6.4588 7.3172 7.3172 7.9910 7.9910 8.7835 8.7835 8.8970 8.8970 9.1655 9.1655 10.9099 10.9099 10.9922 10.9922 11.0538 11.0538 11.8835 11.8835 k = 0.0000 0.2111-0.0000 ( 4087 PWs) bands (ev): -4.5203 -4.5203 -3.2119 -3.2119 -1.0978 -1.0978 4.0615 4.0615 4.6751 4.6751 4.7120 4.7120 6.1641 6.1641 6.2573 6.2573 6.4809 6.4809 7.2519 7.2519 8.0224 8.0224 8.8353 8.8353 8.9200 8.9200 9.1863 9.1863 10.8976 10.8976 10.9853 10.9853 11.0918 11.0918 11.9125 11.9125 k = 0.0000 0.2222-0.0000 ( 4093 PWs) bands (ev): -4.4845 -4.4845 -3.2007 -3.2007 -1.0492 -1.0492 3.9922 3.9922 4.5155 4.5155 4.7425 4.7425 6.1527 6.1527 6.1547 6.1547 6.5044 6.5044 7.1869 7.1869 8.0565 8.0565 8.8726 8.8726 8.9377 8.9377 9.2192 9.2192 10.8905 10.8905 10.9790 10.9790 11.1337 11.1337 11.9438 11.9438 k = 0.0000 0.2333-0.0000 ( 4093 PWs) bands (ev): -4.4473 -4.4473 -3.1901 -3.1901 -0.9981 -0.9981 3.9241 3.9241 4.3571 4.3571 4.7714 4.7714 6.0555 6.0555 6.1410 6.1410 6.5285 6.5285 7.1224 7.1224 8.0933 8.0933 8.8932 8.8932 8.9498 8.9498 9.2661 9.2661 10.8899 10.8899 10.9724 10.9724 11.1792 11.1792 11.9773 11.9773 k = 0.0000 0.2444-0.0000 ( 4097 PWs) bands (ev): -4.4089 -4.4089 -3.1801 -3.1801 -0.9445 -0.9445 3.8569 3.8569 4.2009 4.2009 4.7972 4.7972 5.9617 5.9617 6.1290 6.1290 6.5530 6.5530 7.0587 7.0587 8.1328 8.1328 8.8986 8.8986 8.9559 8.9559 9.3254 9.3254 10.8959 10.8959 10.9654 10.9654 11.2280 11.2280 12.0131 12.0131 k = 0.0000 0.2556-0.0000 ( 4089 PWs) bands (ev): -4.3692 -4.3692 -3.1710 -3.1710 -0.8883 -0.8883 3.7896 3.7896 4.0485 4.0485 4.8180 4.8180 5.8751 5.8751 6.1169 6.1169 6.5776 6.5776 6.9959 6.9959 8.1751 8.1751 8.8921 8.8921 8.9560 8.9560 9.3936 9.3936 10.9067 10.9067 10.9592 10.9592 11.2804 11.2804 12.0511 12.0511 k = 0.0000 0.2667-0.0000 ( 4081 PWs) bands (ev): -4.3285 -4.3285 -3.1629 -3.1629 -0.8296 -0.8296 3.7181 3.7181 3.9045 3.9045 4.8317 4.8317 5.7984 5.7984 6.1049 6.1049 6.6019 6.6019 6.9343 6.9343 8.2201 8.2201 8.8768 8.8768 8.9504 8.9504 9.4676 9.4676 10.9147 10.9147 10.9603 10.9603 11.3364 11.3364 12.0912 12.0912 k = 0.0000 0.2778-0.0000 ( 4087 PWs) bands (ev): -4.2868 -4.2868 -3.1559 -3.1559 -0.7684 -0.7684 3.6309 3.6309 3.7807 3.7807 4.8352 4.8352 5.7344 5.7344 6.0929 6.0929 6.6256 6.6256 6.8740 6.8740 8.2678 8.2678 8.8549 8.8549 8.9394 8.9394 9.5452 9.5452 10.9086 10.9086 10.9790 10.9790 11.3963 11.3963 12.1335 12.1335 k = 0.0000 0.2889-0.0000 ( 4087 PWs) bands (ev): -4.2442 -4.2442 -3.1502 -3.1502 -0.7047 -0.7047 3.5142 3.5142 3.6915 3.6915 4.8259 4.8259 5.6862 5.6862 6.0813 6.0813 6.6484 6.6484 6.8152 6.8152 8.3182 8.3182 8.8280 8.8280 8.9235 8.9235 9.6251 9.6251 10.8919 10.8919 11.0101 11.0101 11.4600 11.4600 12.1777 12.1777 k = 0.0000 0.3000-0.0000 ( 4087 PWs) bands (ev): -4.2008 -4.2008 -3.1460 -3.1460 -0.6384 -0.6384 3.3770 3.3770 3.6283 3.6283 4.8017 4.8017 5.6560 5.6560 6.0702 6.0702 6.6699 6.6699 6.7581 6.7581 8.3712 8.3712 8.7973 8.7973 8.9033 8.9033 9.7061 9.7061 10.8687 10.8687 11.0480 11.0480 11.5277 11.5277 12.2238 12.2238 k = 0.0000 0.3111-0.0000 ( 4097 PWs) bands (ev): -4.1567 -4.1567 -3.1434 -3.1434 -0.5696 -0.5696 3.2327 3.2327 3.5779 3.5779 4.7623 4.7623 5.6440 5.6440 6.0596 6.0596 6.6882 6.6882 6.7042 6.7042 8.4268 8.4268 8.7636 8.7636 8.8794 8.8794 9.7878 9.7878 10.8401 10.8401 11.0897 11.0897 11.5990 11.5990 12.2715 12.2716 k = 0.0000 0.3222-0.0000 ( 4101 PWs) bands (ev): -4.1121 -4.1121 -3.1425 -3.1425 -0.4983 -0.4983 3.0869 3.0869 3.5354 3.5354 4.7095 4.7095 5.6487 5.6487 6.0497 6.0497 6.6479 6.6479 6.7089 6.7089 8.4849 8.4849 8.7278 8.7278 8.8524 8.8524 9.8697 9.8697 10.8060 10.8060 11.1336 11.1336 11.6738 11.6738 12.3120 12.3120 k = 0.0000 0.3333-0.0000 ( 4095 PWs) bands (ev): -4.0669 -4.0669 -3.1435 -3.1435 -0.4245 -0.4245 2.9413 2.9413 3.4989 3.4989 4.6461 4.6461 5.6675 5.6675 6.0407 6.0407 6.5964 6.5964 6.7243 6.7243 8.5455 8.5455 8.6907 8.6907 8.8231 8.8231 9.9516 9.9516 10.7664 10.7664 11.1777 11.1777 11.7515 11.7515 12.3038 12.3038 k = 0.0000 0.3444-0.0000 ( 4087 PWs) bands (ev): -4.0214 -4.0214 -3.1465 -3.1465 -0.3481 -0.3481 2.7968 2.7968 3.4681 3.4681 4.5752 4.5752 5.6972 5.6972 6.0327 6.0327 6.5466 6.5466 6.7372 6.7372 8.6083 8.6083 8.6531 8.6531 8.7921 8.7921 10.0331 10.0331 10.7214 10.7214 11.2206 11.2206 11.8312 11.8312 12.3016 12.3016 k = 0.0000 0.3556-0.0000 ( 4087 PWs) bands (ev): -3.9757 -3.9757 -3.1515 -3.1515 -0.2691 -0.2691 2.6538 2.6538 3.4428 3.4428 4.4993 4.4993 5.7354 5.7354 6.0258 6.0258 6.4988 6.4988 6.7469 6.7469 8.6154 8.6154 8.6737 8.6737 8.7600 8.7600 10.1141 10.1141 10.6710 10.6710 11.2603 11.2603 11.9113 11.9113 12.3079 12.3079 k = 0.0000 0.3667-0.0000 ( 4075 PWs) bands (ev): -3.9299 -3.9299 -3.1588 -3.1588 -0.1877 -0.1877 2.5125 2.5125 3.4228 3.4228 4.4207 4.4207 5.7798 5.7798 6.0202 6.0202 6.4532 6.4532 6.7529 6.7529 8.5789 8.5789 8.7239 8.7239 8.7443 8.7443 10.1945 10.1945 10.6154 10.6154 11.2954 11.2954 11.9892 11.9892 12.3252 12.3252 k = 0.0000 0.3778-0.0000 ( 4079 PWs) bands (ev): -3.8841 -3.8841 -3.1683 -3.1683 -0.1037 -0.1037 2.3732 2.3732 3.4082 3.4082 4.3409 4.3409 5.8289 5.8289 6.0161 6.0161 6.4097 6.4097 6.7549 6.7549 8.5441 8.5441 8.6927 8.6927 8.8120 8.8120 10.2739 10.2739 10.5551 10.5551 11.3241 11.3241 12.0608 12.0608 12.3569 12.3569 k = 0.0000 0.3889-0.0000 ( 4075 PWs) bands (ev): -3.8385 -3.8385 -3.1800 -3.1800 -0.0171 -0.0171 2.2359 2.2359 3.3990 3.3990 4.2612 4.2612 5.8815 5.8815 6.0135 6.0135 6.3684 6.3684 6.7525 6.7525 8.5117 8.5117 8.6596 8.6596 8.8837 8.8837 10.3514 10.3514 10.4914 10.4914 11.3452 11.3452 12.1220 12.1220 12.4067 12.4067 k = 0.0000 0.4000-0.0000 ( 4071 PWs) bands (ev): -3.7932 -3.7932 -3.1942 -3.1942 0.0720 0.0720 2.1007 2.1007 3.3953 3.3953 4.1825 4.1825 5.9360 5.9360 6.0131 6.0131 6.3294 6.3294 6.7453 6.7453 8.4823 8.4823 8.6270 8.6270 8.9574 8.9574 10.4036 10.4036 10.4481 10.4481 11.3576 11.3576 12.1716 12.1716 12.4753 12.4753 k = 0.0000 0.4111-0.0000 ( 4079 PWs) bands (ev): -3.7484 -3.7484 -3.2107 -3.2107 0.1636 0.1636 1.9677 1.9677 3.3971 3.3971 4.1055 4.1055 5.9883 5.9883 6.0184 6.0184 6.2926 6.2926 6.7330 6.7330 8.4565 8.4565 8.5952 8.5952 9.0331 9.0331 10.3430 10.3430 10.5131 10.5131 11.3605 11.3605 12.2122 12.2122 12.5589 12.5589 k = 0.0000 0.4222-0.0000 ( 4071 PWs) bands (ev): -3.7042 -3.7042 -3.2296 -3.2296 0.2577 0.2577 1.8369 1.8369 3.4044 3.4044 4.0308 4.0308 6.0094 6.0094 6.0580 6.0580 6.2582 6.2582 6.7154 6.7154 8.4348 8.4348 8.5646 8.5646 9.1105 9.1105 10.2680 10.2680 10.5882 10.5882 11.3537 11.3537 12.2480 12.2480 12.6516 12.6516 k = 0.0000 0.4333-0.0000 ( 4075 PWs) bands (ev): -3.6607 -3.6607 -3.2508 -3.2508 0.3544 0.3544 1.7084 1.7084 3.4172 3.4172 3.9589 3.9589 6.0152 6.0152 6.1152 6.1152 6.2261 6.2261 6.6926 6.6926 8.4175 8.4175 8.5355 8.5355 9.1896 9.1896 10.1896 10.1896 10.6630 10.6630 11.3372 11.3372 12.2822 12.2822 12.7368 12.7368 k = 0.0000 0.4444-0.0000 ( 4077 PWs) bands (ev): -3.6182 -3.6182 -3.2744 -3.2744 0.4536 0.4536 1.5823 1.5823 3.4353 3.4353 3.8901 3.8901 6.0215 6.0215 6.1734 6.1734 6.1970 6.1970 6.6645 6.6645 8.4048 8.4048 8.5082 8.5082 9.2701 9.2701 10.1089 10.1089 10.7366 10.7366 11.3115 11.3115 12.3164 12.3164 12.7221 12.7221 k = 0.0000 0.4556-0.0000 ( 4081 PWs) bands (ev): -3.5767 -3.5767 -3.3002 -3.3002 0.5553 0.5553 1.4584 1.4584 3.4588 3.4588 3.8249 3.8249 6.0295 6.0295 6.1683 6.1683 6.2333 6.2333 6.6314 6.6314 8.3969 8.3969 8.4831 8.4831 9.3518 9.3518 10.0265 10.0265 10.8088 10.8088 11.2774 11.2774 12.3516 12.3516 12.6792 12.6792 k = 0.0000 0.4667-0.0000 ( 4074 PWs) bands (ev): -3.5365 -3.5365 -3.3282 -3.3282 0.6595 0.6595 1.3370 1.3370 3.4876 3.4876 3.7634 3.7634 6.0394 6.0394 6.1433 6.1433 6.2912 6.2912 6.5935 6.5935 8.3937 8.3937 8.4604 8.4604 9.4347 9.4347 9.9428 9.9428 10.8792 10.8792 11.2357 11.2357 12.3883 12.3883 12.6352 12.6352 k = 0.0000 0.4778-0.0000 ( 4074 PWs) bands (ev): -3.4976 -3.4976 -3.3583 -3.3583 0.7663 0.7663 1.2180 1.2180 3.5216 3.5216 3.7060 3.7060 6.0513 6.0513 6.1204 6.1204 6.3480 6.3480 6.5512 6.5512 8.3949 8.3949 8.4405 8.4405 9.5186 9.5186 9.8582 9.8582 10.9474 10.9474 11.1875 11.1875 12.4264 12.4264 12.5916 12.5916 k = 0.0000 0.4889-0.0000 ( 4064 PWs) bands (ev): -3.4601 -3.4601 -3.3904 -3.3904 0.8755 0.8755 1.1013 1.1013 3.5605 3.5605 3.6529 3.6529 6.0653 6.0653 6.0998 6.0998 6.4029 6.4029 6.5051 6.5051 8.4006 8.4006 8.4236 8.4236 9.6031 9.6031 9.7732 9.7732 11.0130 11.0130 11.1338 11.1338 12.4659 12.4659 12.5487 12.5487 k = 0.0000 0.5000-0.0000 ( 4072 PWs) bands (ev): -3.4244 -3.4244 -3.4244 -3.4244 0.9872 0.9872 0.9872 0.9872 3.6044 3.6044 3.6044 3.6044 6.0815 6.0815 6.0815 6.0815 6.4554 6.4554 6.4554 6.4554 8.4102 8.4102 8.4102 8.4102 9.6880 9.6880 9.6880 9.6880 11.0753 11.0753 11.0753 11.0753 12.5067 12.5067 12.5067 12.5067 k = 0.0000 0.5000-0.0000 ( 4072 PWs) bands (ev): -3.4244 -3.4244 -3.4244 -3.4244 0.9872 0.9872 0.9872 0.9872 3.6044 3.6044 3.6044 3.6044 6.0815 6.0815 6.0815 6.0815 6.4554 6.4554 6.4554 6.4554 8.4102 8.4102 8.4102 8.4102 9.6880 9.6880 9.6880 9.6880 11.0753 11.0753 11.0753 11.0753 12.5067 12.5067 12.5067 12.5067 k = 0.0111 0.5000-0.0000 ( 4064 PWs) bands (ev): -3.4242 -3.4242 -3.4242 -3.4242 0.9882 0.9882 0.9888 0.9888 3.6045 3.6045 3.6054 3.6054 6.0794 6.0794 6.0807 6.0807 6.4548 6.4548 6.4570 6.4570 8.4094 8.4094 8.4098 8.4098 9.6692 9.6692 9.6749 9.6749 11.0848 11.0848 11.0925 11.0925 12.5029 12.5029 12.5101 12.5101 k = 0.0222 0.5000-0.0000 ( 4072 PWs) bands (ev): -3.4238 -3.4238 -3.4238 -3.4238 0.9919 0.9919 0.9931 0.9931 3.6059 3.6059 3.6078 3.6078 6.0747 6.0747 6.0772 6.0772 6.4553 6.4553 6.4596 6.4596 8.4072 8.4072 8.4081 8.4081 9.6205 9.6205 9.6314 9.6314 11.1193 11.1193 11.1339 11.1339 12.4985 12.4985 12.5129 12.5129 k = 0.0333 0.5000-0.0000 ( 4068 PWs) bands (ev): -3.4231 -3.4231 -3.4230 -3.4230 0.9982 0.9982 1.0000 1.0000 3.6085 3.6085 3.6113 3.6113 6.0676 6.0676 6.0711 6.0711 6.4566 6.4566 6.4628 6.4628 8.4038 8.4038 8.4052 8.4052 9.5469 9.5469 9.5618 9.5618 11.1743 11.1743 11.1947 11.1947 12.4934 12.4934 12.5149 12.5149 k = 0.0444 0.5000-0.0000 ( 4068 PWs) bands (ev): -3.4221 -3.4221 -3.4220 -3.4220 1.0072 1.0072 1.0095 1.0095 3.6123 3.6123 3.6159 3.6159 6.0585 6.0585 6.0627 6.0627 6.4585 6.4585 6.4664 6.4664 8.3989 8.3989 8.4009 8.4009 9.4540 9.4540 9.4717 9.4717 11.2443 11.2443 11.2691 11.2691 12.4873 12.4873 12.5156 12.5156 k = 0.0556 0.5000-0.0000 ( 4066 PWs) bands (ev): -3.4208 -3.4208 -3.4206 -3.4206 1.0188 1.0188 1.0217 1.0217 3.6172 3.6172 3.6217 3.6217 6.0478 6.0478 6.0525 6.0525 6.4607 6.4607 6.4701 6.4701 8.3926 8.3926 8.3951 8.3951 9.3465 9.3465 9.3662 9.3662 11.3239 11.3239 11.3519 11.3519 12.4801 12.4801 12.5147 12.5147 k = 0.0667 0.5000-0.0000 ( 4062 PWs) bands (ev): -3.4192 -3.4192 -3.4190 -3.4190 1.0330 1.0330 1.0365 1.0365 3.6231 3.6231 3.6284 3.6284 6.0358 6.0358 6.0408 6.0408 6.4629 6.4629 6.4733 6.4733 8.3847 8.3847 8.3879 8.3879 9.2285 9.2285 9.2497 9.2497 11.4085 11.4085 11.4388 11.4388 12.4716 12.4716 12.5114 12.5114 k = 0.0778 0.5000-0.0000 ( 4058 PWs) bands (ev): -3.4173 -3.4173 -3.4172 -3.4172 1.0499 1.0499 1.0539 1.0539 3.6300 3.6300 3.6362 3.6362 6.0231 6.0231 6.0281 6.0281 6.4646 6.4646 6.4759 6.4759 8.3748 8.3748 8.3788 8.3788 9.1031 9.1031 9.1255 9.1255 11.4946 11.4946 11.5262 11.5262 12.4620 12.4620 12.5054 12.5054 k = 0.0889 0.5000-0.0000 ( 4062 PWs) bands (ev): -3.4152 -3.4152 -3.4150 -3.4150 1.0693 1.0693 1.0740 1.0740 3.6379 3.6379 3.6447 3.6447 6.0101 6.0101 6.0148 6.0148 6.4655 6.4655 6.4774 6.4774 8.3626 8.3626 8.3674 8.3674 8.9728 8.9728 8.9962 8.9962 11.5790 11.5790 11.6112 11.6112 12.4522 12.4522 12.4972 12.4972 k = 0.1000 0.5000-0.0000 ( 4062 PWs) bands (ev): -3.4128 -3.4128 -3.4127 -3.4127 1.0914 1.0914 1.0966 1.0966 3.6465 3.6465 3.6540 3.6540 5.9971 5.9971 6.0013 6.0013 6.4654 6.4654 6.4776 6.4776 8.3469 8.3469 8.3529 8.3529 8.8402 8.8402 8.8645 8.8645 11.6592 11.6592 11.6909 11.6909 12.4435 12.4435 12.4884 12.4884 k = 0.1111 0.5000-0.0000 ( 4068 PWs) bands (ev): -3.4102 -3.4102 -3.4100 -3.4100 1.1161 1.1161 1.1218 1.1218 3.6558 3.6558 3.6640 3.6640 5.9845 5.9845 5.9881 5.9881 6.4639 6.4639 6.4763 6.4763 8.3259 8.3259 8.3329 8.3329 8.7086 8.7086 8.7336 8.7336 11.7325 11.7325 11.7628 11.7628 12.4381 12.4381 12.4814 12.4814 k = 0.1222 0.5000-0.0000 ( 4068 PWs) bands (ev): -3.4074 -3.4074 -3.4072 -3.4072 1.1433 1.1433 1.1496 1.1496 3.6657 3.6657 3.6744 3.6744 5.9726 5.9726 5.9753 5.9753 6.4610 6.4610 6.4733 6.4733 8.2948 8.2948 8.3022 8.3022 8.5844 8.5844 8.6094 8.6094 11.7965 11.7965 11.8243 11.8243 12.4384 12.4384 12.4794 12.4794 k = 0.1333 0.5000-0.0000 ( 4060 PWs) bands (ev): -3.4044 -3.4044 -3.4042 -3.4042 1.1732 1.1732 1.1799 1.1799 3.6760 3.6760 3.6852 3.6852 5.9616 5.9616 5.9634 5.9634 6.4564 6.4564 6.4684 6.4684 8.2432 8.2432 8.2479 8.2479 8.4809 8.4809 8.5029 8.5029 11.8490 11.8490 11.8736 11.8736 12.4468 12.4468 12.4852 12.4852 k = 0.1444 0.5000-0.0000 ( 4060 PWs) bands (ev): -3.4012 -3.4012 -3.4009 -3.4009 1.2055 1.2055 1.2128 1.2128 3.6866 3.6866 3.6963 3.6963 5.9519 5.9519 5.9524 5.9524 6.4500 6.4500 6.4614 6.4614 8.1563 8.1563 8.1584 8.1584 8.4128 8.4128 8.4273 8.4273 11.8892 11.8892 11.9098 11.9098 12.4649 12.4649 12.5004 12.5004 k = 0.1556 0.5000-0.0000 ( 4054 PWs) bands (ev): -3.3978 -3.3978 -3.3975 -3.3975 1.2404 1.2404 1.2481 1.2481 3.6975 3.6975 3.7075 3.7075 5.9428 5.9428 5.9436 5.9436 6.4417 6.4417 6.4524 6.4524 8.0348 8.0348 8.0434 8.0434 8.3730 8.3730 8.3806 8.3806 11.9175 11.9175 11.9340 11.9340 12.4925 12.4925 12.5247 12.5247 k = 0.1667 0.5000-0.0000 ( 4054 PWs) bands (ev): -3.3943 -3.3943 -3.3940 -3.3940 1.2778 1.2778 1.2860 1.2860 3.7084 3.7084 3.7186 3.7186 5.9345 5.9345 5.9369 5.9369 6.4315 6.4315 6.4413 6.4413 7.8993 7.8993 7.9119 7.9119 8.3461 8.3461 8.3492 8.3492 11.9361 11.9361 11.9486 11.9486 12.5279 12.5279 12.5562 12.5562 k = 0.1778 0.5000-0.0000 ( 4050 PWs) bands (ev): -3.3906 -3.3906 -3.3903 -3.3903 1.3176 1.3176 1.3263 1.3263 3.7193 3.7193 3.7297 3.7297 5.9278 5.9278 5.9318 5.9318 6.4194 6.4194 6.4280 6.4280 7.7579 7.7579 7.7729 7.7729 8.3246 8.3246 8.3247 8.3247 11.9479 11.9479 11.9566 11.9566 12.5685 12.5685 12.5927 12.5927 k = 0.1889 0.5000-0.0000 ( 4048 PWs) bands (ev): -3.3868 -3.3868 -3.3865 -3.3865 1.3599 1.3599 1.3690 1.3690 3.7301 3.7301 3.7406 3.7406 5.9227 5.9227 5.9285 5.9285 6.4052 6.4052 6.4124 6.4124 7.6140 7.6140 7.6308 7.6308 8.3034 8.3034 8.3054 8.3054 11.9561 11.9561 11.9612 11.9612 12.6121 12.6121 12.6317 12.6317 k = 0.2000 0.5000-0.0000 ( 4044 PWs) bands (ev): -3.3829 -3.3829 -3.3826 -3.3826 1.4047 1.4047 1.4142 1.4142 3.7407 3.7407 3.7512 3.7512 5.9192 5.9192 5.9269 5.9269 6.3891 6.3891 6.3947 6.3947 7.4693 7.4693 7.4875 7.4875 8.2836 8.2836 8.2873 8.2873 11.9629 11.9629 11.9647 11.9647 12.6566 12.6566 12.6718 12.6718 k = 0.2111 0.5000-0.0000 ( 4040 PWs) bands (ev): -3.3789 -3.3789 -3.3786 -3.3786 1.4518 1.4518 1.4617 1.4617 3.7509 3.7509 3.7613 3.7613 5.9173 5.9173 5.9270 5.9270 6.3709 6.3709 6.3746 6.3746 7.3249 7.3249 7.3442 7.3442 8.2646 8.2646 8.2699 8.2699 11.9689 11.9689 11.9702 11.9702 12.7008 12.7008 12.7120 12.7120 k = 0.2222 0.5000-0.0000 ( 4048 PWs) bands (ev): -3.3748 -3.3748 -3.3746 -3.3746 1.5013 1.5013 1.5116 1.5116 3.7608 3.7608 3.7711 3.7711 5.9168 5.9168 5.9287 5.9287 6.3507 6.3507 6.3522 6.3522 7.1814 7.1814 7.2020 7.2020 8.2463 8.2463 8.2528 8.2528 11.9752 11.9752 11.9795 11.9795 12.7441 12.7441 12.7518 12.7518 k = 0.2333 0.5000-0.0000 ( 4048 PWs) bands (ev): -3.3708 -3.3708 -3.3705 -3.3705 1.5531 1.5531 1.5637 1.5637 3.7702 3.7702 3.7803 3.7803 5.9177 5.9177 5.9319 5.9319 6.3271 6.3271 6.3280 6.3280 7.0399 7.0399 7.0617 7.0617 8.2285 8.2285 8.2362 8.2362 11.9845 11.9845 11.9917 11.9917 12.7862 12.7862 12.7909 12.7909 k = 0.2444 0.5000-0.0000 ( 4056 PWs) bands (ev): -3.3667 -3.3667 -3.3664 -3.3664 1.6072 1.6072 1.6182 1.6182 3.7792 3.7792 3.7890 3.7890 5.9196 5.9196 5.9361 5.9361 6.2989 6.2989 6.3025 6.3025 6.9013 6.9013 6.9243 6.9243 8.2111 8.2111 8.2199 8.2199 11.9973 11.9973 12.0074 12.0074 12.8271 12.8271 12.8294 12.8294 k = 0.2556 0.5000-0.0000 ( 4058 PWs) bands (ev): -3.3626 -3.3626 -3.3623 -3.3623 1.6635 1.6635 1.6748 1.6748 3.7877 3.7877 3.7972 3.7972 5.9224 5.9224 5.9412 5.9412 6.2665 6.2665 6.2730 6.2730 6.7675 6.7675 6.7917 6.7917 8.1942 8.1942 8.2041 8.2041 12.0142 12.0142 12.0270 12.0270 12.8668 12.8668 12.8673 12.8673 k = 0.2667 0.5000-0.0000 ( 4058 PWs) bands (ev): -3.3585 -3.3585 -3.3583 -3.3583 1.7220 1.7220 1.7336 1.7336 3.7957 3.7957 3.8048 3.8048 5.9254 5.9254 5.9466 5.9466 6.2281 6.2281 6.2371 6.2371 6.6413 6.6413 6.6664 6.6664 8.1780 8.1780 8.1887 8.1887 12.0353 12.0353 12.0509 12.0509 12.9045 12.9045 12.9054 12.9054 k = 0.2778 0.5000-0.0000 ( 4054 PWs) bands (ev): -3.3545 -3.3545 -3.3542 -3.3542 1.7826 1.7826 1.7944 1.7944 3.8032 3.8032 3.8119 3.8119 5.9284 5.9284 5.9514 5.9514 6.1802 6.1802 6.1902 6.1902 6.5282 6.5282 6.5529 6.5529 8.1624 8.1624 8.1740 8.1740 12.0608 12.0608 12.0792 12.0792 12.9410 12.9410 12.9428 12.9428 k = 0.2889 0.5000-0.0000 ( 4062 PWs) bands (ev): -3.3505 -3.3505 -3.3503 -3.3503 1.8452 1.8452 1.8573 1.8573 3.8103 3.8103 3.8184 3.8184 5.9302 5.9302 5.9539 5.9539 6.1189 6.1189 6.1257 6.1257 6.4358 6.4358 6.4571 6.4571 8.1476 8.1476 8.1600 8.1600 12.0908 12.0908 12.1119 12.1119 12.9766 12.9766 12.9791 12.9791 k = 0.3000 0.5000-0.0000 ( 4058 PWs) bands (ev): -3.3467 -3.3467 -3.3464 -3.3464 1.9098 1.9098 1.9221 1.9221 3.8168 3.8168 3.8245 3.8245 5.9287 5.9287 5.9476 5.9476 6.0413 6.0413 6.0460 6.0460 6.3689 6.3689 6.3836 6.3836 8.1338 8.1338 8.1468 8.1468 12.1252 12.1252 12.1491 12.1491 13.0113 13.0113 13.0141 13.0141 k = 0.3111 0.5000-0.0000 ( 4054 PWs) bands (ev): -3.3429 -3.3429 -3.3426 -3.3426 1.9763 1.9763 1.9887 1.9887 3.8230 3.8230 3.8301 3.8301 5.9003 5.9003 5.9031 5.9031 5.9611 5.9611 5.9952 5.9952 6.3242 6.3242 6.3315 6.3315 8.1209 8.1209 8.1344 8.1344 12.1640 12.1640 12.1907 12.1907 13.0449 13.0449 13.0477 13.0477 k = 0.3222 0.5000-0.0000 ( 4046 PWs) bands (ev): -3.3392 -3.3392 -3.3390 -3.3390 2.0445 2.0445 2.0571 2.0571 3.8287 3.8287 3.8353 3.8353 5.8014 5.8014 5.8043 5.8043 5.9417 5.9417 5.9819 5.9819 6.2946 6.2946 6.2957 6.2957 8.1091 8.1091 8.1230 8.1230 12.2070 12.2070 12.2366 12.2366 13.0771 13.0771 13.0797 13.0797 k = 0.3333 0.5000-0.0000 ( 4056 PWs) bands (ev): -3.3357 -3.3357 -3.3355 -3.3355 2.1143 2.1143 2.1270 2.1270 3.8341 3.8341 3.8401 3.8401 5.6858 5.6858 5.6869 5.6869 5.9349 5.9349 5.9749 5.9749 6.2717 6.2717 6.2749 6.2749 8.0985 8.0985 8.1126 8.1126 12.2542 12.2542 12.2867 12.2867 13.1077 13.1078 13.1098 13.1098 k = 0.3444 0.5000-0.0000 ( 4060 PWs) bands (ev): -3.3323 -3.3323 -3.3321 -3.3321 2.1856 2.1856 2.1983 2.1983 3.8391 3.8391 3.8445 3.8445 5.5638 5.5638 5.5679 5.5679 5.9274 5.9274 5.9666 5.9666 6.2565 6.2565 6.2622 6.2622 8.0889 8.0889 8.1031 8.1031 12.3052 12.3052 12.3406 12.3406 13.1366 13.1366 13.1378 13.1378 k = 0.3556 0.5000-0.0000 ( 4068 PWs) bands (ev): -3.3291 -3.3291 -3.3289 -3.3289 2.2581 2.2581 2.2708 2.2708 3.8438 3.8438 3.8487 3.8487 5.4417 5.4417 5.4478 5.4478 5.9182 5.9182 5.9556 5.9556 6.2480 6.2480 6.2547 6.2547 8.0806 8.0806 8.0947 8.0947 12.3598 12.3598 12.3982 12.3982 13.1634 13.1634 13.1635 13.1635 k = 0.3667 0.5000-0.0000 ( 4068 PWs) bands (ev): -3.3260 -3.3260 -3.3259 -3.3259 2.3316 2.3316 2.3442 2.3442 3.8481 3.8481 3.8525 3.8525 5.3209 5.3209 5.3285 5.3285 5.9071 5.9071 5.9422 5.9422 6.2445 6.2445 6.2512 6.2512 8.0734 8.0734 8.0873 8.0873 12.4178 12.4178 12.4592 12.4592 13.1866 13.1866 13.1881 13.1881 k = 0.3778 0.5000-0.0000 ( 4068 PWs) bands (ev): -3.3232 -3.3232 -3.3230 -3.3230 2.4058 2.4058 2.4183 2.4183 3.8522 3.8522 3.8560 3.8560 5.2024 5.2024 5.2110 5.2110 5.8948 5.8948 5.9270 5.9270 6.2448 6.2448 6.2508 6.2508 8.0674 8.0674 8.0809 8.0809 12.4787 12.4787 12.5231 12.5231 13.2070 13.2070 13.2104 13.2104 k = 0.3889 0.5000-0.0000 ( 4066 PWs) bands (ev): -3.3206 -3.3206 -3.3204 -3.3204 2.4803 2.4803 2.4926 2.4926 3.8561 3.8561 3.8593 3.8593 5.0869 5.0869 5.0962 5.0962 5.8816 5.8816 5.9107 5.9107 6.2474 6.2474 6.2525 6.2525 8.0625 8.0625 8.0754 8.0754 12.5422 12.5422 12.5897 12.5897 13.2247 13.2247 13.2303 13.2303 k = 0.4000 0.5000-0.0000 ( 4074 PWs) bands (ev): -3.3181 -3.3181 -3.3180 -3.3180 2.5545 2.5545 2.5665 2.5665 3.8596 3.8596 3.8623 3.8623 4.9753 4.9753 4.9850 4.9850 5.8682 5.8682 5.8941 5.8941 6.2516 6.2516 6.2556 6.2556 8.0586 8.0586 8.0708 8.0708 12.6077 12.6077 12.6583 12.6583 13.2394 13.2394 13.2476 13.2476 k = 0.4111 0.5000-0.0000 ( 4070 PWs) bands (ev): -3.3159 -3.3159 -3.3158 -3.3158 2.6279 2.6279 2.6394 2.6394 3.8629 3.8629 3.8650 3.8650 4.8683 4.8683 4.8783 4.8783 5.8551 5.8551 5.8778 5.8778 6.2566 6.2566 6.2596 6.2596 8.0556 8.0556 8.0669 8.0669 12.6748 12.6748 12.7284 12.7284 13.2510 13.2510 13.2625 13.2625 k = 0.4222 0.5000-0.0000 ( 4082 PWs) bands (ev): -3.3140 -3.3140 -3.3139 -3.3139 2.6995 2.6995 2.7105 2.7105 3.8659 3.8659 3.8675 3.8675 4.7670 4.7670 4.7770 4.7770 5.8427 5.8427 5.8623 5.8623 6.2619 6.2619 6.2640 6.2640 8.0534 8.0534 8.0637 8.0637 12.7428 12.7428 12.7994 12.7994 13.2595 13.2595 13.2747 13.2747 k = 0.4333 0.5000-0.0000 ( 4086 PWs) bands (ev): -3.3123 -3.3123 -3.3122 -3.3122 2.7682 2.7682 2.7784 2.7784 3.8685 3.8685 3.8697 3.8697 4.6726 4.6726 4.6823 4.6823 5.8314 5.8314 5.8480 5.8480 6.2669 6.2669 6.2684 6.2684 8.0520 8.0520 8.0610 8.0610 12.8109 12.8109 12.8703 12.8703 13.2645 13.2645 13.2841 13.2841 k = 0.4444 0.5000-0.0000 ( 4074 PWs) bands (ev): -3.3108 -3.3108 -3.3107 -3.3107 2.8325 2.8325 2.8418 2.8418 3.8709 3.8709 3.8716 3.8716 4.5868 4.5868 4.5959 4.5959 5.8216 5.8216 5.8353 5.8353 6.2716 6.2716 6.2725 6.2725 8.0511 8.0511 8.0589 8.0589 12.8782 12.8782 12.9401 12.9401 13.2657 13.2657 13.2905 13.2905 k = 0.4556 0.5000-0.0000 ( 4078 PWs) bands (ev): -3.3096 -3.3096 -3.3095 -3.3095 2.8907 2.8907 2.8987 2.8987 3.8729 3.8729 3.8733 3.8733 4.5114 4.5114 4.5195 4.5195 5.8134 5.8134 5.8243 5.8243 6.2756 6.2756 6.2761 6.2761 8.0508 8.0508 8.0571 8.0571 12.9436 12.9436 13.0075 13.0075 13.2623 13.2623 13.2933 13.2933 k = 0.4667 0.5000-0.0000 ( 4082 PWs) bands (ev): -3.3086 -3.3086 -3.3086 -3.3086 2.9404 2.9404 2.9468 2.9468 3.8745 3.8745 3.8746 3.8746 4.4489 4.4489 4.4556 4.4556 5.8072 5.8072 5.8153 5.8153 6.2788 6.2788 6.2791 6.2791 8.0508 8.0508 8.0556 8.0556 13.0059 13.0059 13.0704 13.0704 13.2537 13.2537 13.2914 13.2914 k = 0.4778 0.5000-0.0000 ( 4074 PWs) bands (ev): -3.3080 -3.3080 -3.3079 -3.3079 2.9790 2.9790 2.9835 2.9835 3.8757 3.8757 3.8757 3.8757 4.4018 4.4018 4.4067 4.4067 5.8030 5.8030 5.8083 5.8083 6.2812 6.2812 6.2813 6.2813 8.0511 8.0511 8.0544 8.0544 13.0633 13.0633 13.1252 13.1252 13.2403 13.2403 13.2831 13.2831 k = 0.4889 0.5000-0.0000 ( 4076 PWs) bands (ev): -3.3075 -3.3075 -3.3075 -3.3075 3.0040 3.0040 3.0063 3.0063 3.8764 3.8764 3.8764 3.8764 4.3729 4.3729 4.3754 4.3754 5.8009 5.8009 5.8036 5.8036 6.2826 6.2826 6.2827 6.2827 8.0517 8.0517 8.0533 8.0533 13.1135 13.1135 13.1605 13.1605 13.2297 13.2297 13.2669 13.2669 k = 0.5000 0.5000-0.0000 ( 4076 PWs) bands (ev): -3.3074 -3.3074 -3.3074 -3.3074 3.0134 3.0134 3.0134 3.0134 3.8766 3.8766 3.8766 3.8766 4.3639 4.3639 4.3639 4.3639 5.8011 5.8011 5.8011 5.8011 6.2831 6.2831 6.2831 6.2831 8.0524 8.0524 8.0524 8.0524 13.1516 13.1516 13.1516 13.1516 13.2439 13.2439 13.2439 13.2439 k = 0.5000 0.5000-0.0000 ( 4076 PWs) bands (ev): -3.3074 -3.3074 -3.3074 -3.3074 3.0134 3.0134 3.0134 3.0134 3.8766 3.8766 3.8766 3.8766 4.3639 4.3639 4.3639 4.3639 5.8011 5.8011 5.8011 5.8011 6.2831 6.2831 6.2831 6.2831 8.0524 8.0524 8.0524 8.0524 13.1516 13.1516 13.1516 13.1516 13.2439 13.2439 13.2439 13.2439 k = 0.4921 0.4921-0.0000 ( 4076 PWs) bands (ev): -3.3081 -3.3081 -3.3069 -3.3069 2.9953 2.9953 3.0148 3.0148 3.8754 3.8754 3.8774 3.8774 4.3646 4.3646 4.3840 4.3840 5.7999 5.7999 5.8046 5.8046 6.2819 6.2819 6.2834 6.2834 8.0515 8.0515 8.0535 8.0535 13.1113 13.1113 13.1655 13.1655 13.2226 13.2226 13.2710 13.2710 k = 0.4841 0.4841-0.0000 ( 4076 PWs) bands (ev): -3.3103 -3.3103 -3.3056 -3.3056 2.9444 2.9444 3.0188 3.0188 3.8717 3.8717 3.8797 3.8797 4.3671 4.3671 4.4411 4.4411 5.7975 5.7975 5.8138 5.8138 6.2784 6.2784 6.2841 6.2841 8.0499 8.0499 8.0556 8.0556 13.0546 13.0546 13.1477 13.1477 13.2073 13.2073 13.3023 13.3023 k = 0.4762 0.4762-0.0000 ( 4072 PWs) bands (ev): -3.3140 -3.3140 -3.3033 -3.3033 2.8672 2.8672 3.0255 3.0255 3.8661 3.8661 3.8836 3.8836 4.3713 4.3713 4.5283 4.5283 5.7933 5.7933 5.8287 5.8287 6.2729 6.2729 6.2853 6.2853 8.0477 8.0477 8.0590 8.0590 12.9882 12.9882 13.1075 13.1075 13.1953 13.1953 13.3321 13.3321 k = 0.4683 0.4683-0.0000 ( 4070 PWs) bands (ev): -3.3192 -3.3192 -3.3001 -3.3001 2.7713 2.7713 3.0349 3.0349 3.8588 3.8588 3.8889 3.8889 4.3772 4.3772 4.6381 4.6381 5.7868 5.7868 5.8489 5.8489 6.2657 6.2657 6.2869 6.2869 8.0450 8.0450 8.0637 8.0637 12.9152 12.9152 13.0566 13.0566 13.1816 13.1816 13.3576 13.3576 k = 0.4603 0.4603-0.0000 ( 4076 PWs) bands (ev): -3.3259 -3.3259 -3.2961 -3.2961 2.6629 2.6629 3.0469 3.0469 3.8503 3.8503 3.8958 3.8958 4.3847 4.3847 4.7644 4.7644 5.7776 5.7776 5.8738 5.8738 6.2574 6.2574 6.2891 6.2891 8.0422 8.0422 8.0697 8.0697 12.8379 12.8379 13.0000 13.0000 13.1648 13.1648 13.3773 13.3773 k = 0.4524 0.4524-0.0000 ( 4080 PWs) bands (ev): -3.3341 -3.3341 -3.2913 -3.2913 2.5462 2.5462 3.0617 3.0617 3.8412 3.8412 3.9041 3.9041 4.3940 4.3940 4.9025 4.9025 5.7650 5.7650 5.9028 5.9028 6.2488 6.2488 6.2917 6.2917 8.0397 8.0397 8.0771 8.0771 12.7583 12.7583 12.9399 12.9399 13.1447 13.1447 13.3901 13.3901 k = 0.4444 0.4444-0.0000 ( 4076 PWs) bands (ev): -3.3438 -3.3438 -3.2857 -3.2857 2.4245 2.4245 3.0790 3.0790 3.8319 3.8319 3.9139 3.9139 4.4050 4.4050 5.0495 5.0495 5.7482 5.7482 5.9350 5.9350 6.2408 6.2408 6.2948 6.2948 8.0379 8.0379 8.0859 8.0859 12.6782 12.6782 12.8774 12.8774 13.1216 13.1216 13.3948 13.3948 k = 0.4365 0.4365-0.0000 ( 4068 PWs) bands (ev): -3.3550 -3.3550 -3.2793 -3.2793 2.2998 2.2998 3.0991 3.0991 3.8230 3.8230 3.9253 3.9253 4.4178 4.4178 5.2030 5.2030 5.7267 5.7267 5.9698 5.9698 6.2341 6.2341 6.2984 6.2984 8.0372 8.0372 8.0961 8.0961 12.5993 12.5993 12.8132 12.8132 13.0956 13.0956 13.3898 13.3898 k = 0.4286 0.4286-0.0000 ( 4072 PWs) bands (ev): -3.3679 -3.3679 -3.2723 -3.2723 2.1734 2.1734 3.1218 3.1218 3.8150 3.8150 3.9381 3.9381 4.4324 4.4324 5.3613 5.3613 5.6999 5.6999 6.0065 6.0065 6.2297 6.2297 6.3026 6.3026 8.0380 8.0380 8.1078 8.1078 12.5229 12.5229 12.7477 12.7477 13.0670 13.0670 13.3743 13.3743 k = 0.4206 0.4206-0.0000 ( 4062 PWs) bands (ev): -3.3822 -3.3822 -3.2647 -3.2647 2.0465 2.0465 3.1471 3.1471 3.8084 3.8084 3.9525 3.9525 4.4487 4.4487 5.5224 5.5224 5.6680 5.6680 6.0446 6.0446 6.2282 6.2282 6.3073 6.3073 8.0406 8.0406 8.1209 8.1209 12.4504 12.4504 12.6812 12.6812 13.0360 13.0360 13.3488 13.3488 k = 0.4127 0.4127-0.0000 ( 4062 PWs) bands (ev): -3.3982 -3.3982 -3.2565 -3.2565 1.9197 1.9197 3.1751 3.1751 3.8037 3.8037 3.9683 3.9683 4.4670 4.4670 5.6250 5.6250 5.6903 5.6903 6.0845 6.0845 6.2299 6.2299 6.3126 6.3126 8.0453 8.0453 8.1354 8.1354 12.3830 12.3830 12.6137 12.6137 13.0031 13.0031 13.3149 13.3149 k = 0.4048 0.4048-0.0000 ( 4060 PWs) bands (ev): -3.4158 -3.4158 -3.2479 -3.2479 1.7935 1.7935 3.2057 3.2057 3.8014 3.8014 3.9857 3.9857 4.4871 4.4871 5.5835 5.5835 5.8487 5.8487 6.1286 6.1286 6.2351 6.2351 6.3185 6.3185 8.0522 8.0522 8.1514 8.1514 12.3217 12.3217 12.5455 12.5455 12.9684 12.9684 13.2745 13.2745 k = 0.3968 0.3968-0.0000 ( 4064 PWs) bands (ev): -3.4349 -3.4349 -3.2389 -3.2389 1.6684 1.6684 3.2389 3.2389 3.8018 3.8018 4.0047 4.0047 4.5091 4.5091 5.5349 5.5349 5.9942 5.9942 6.1880 6.1880 6.2437 6.2437 6.3254 6.3254 8.0615 8.0615 8.1689 8.1689 12.2671 12.2671 12.4765 12.4765 12.9323 12.9323 13.2299 13.2299 k = 0.3889 0.3889-0.0000 ( 4060 PWs) bands (ev): -3.4557 -3.4557 -3.2296 -3.2296 1.5446 1.5446 3.2747 3.2747 3.8053 3.8053 4.0251 4.0251 4.5330 4.5330 5.4818 5.4818 6.0946 6.0946 6.2553 6.2553 6.2882 6.2882 6.3371 6.3371 8.0733 8.0733 8.1879 8.1879 12.2199 12.2199 12.4068 12.4068 12.8950 12.8950 13.1830 13.1830 k = 0.3810 0.3810-0.0000 ( 4062 PWs) bands (ev): -3.4780 -3.4780 -3.2201 -3.2201 1.4224 1.4224 3.3131 3.3131 3.8122 3.8122 4.0471 4.0471 4.5590 4.5590 5.4250 5.4250 6.1469 6.1469 6.2702 6.2702 6.3353 6.3353 6.4490 6.4490 8.0875 8.0875 8.2084 8.2084 12.1803 12.1803 12.3366 12.3366 12.8570 12.8570 13.1355 13.1355 k = 0.3730 0.3730-0.0000 ( 4054 PWs) bands (ev): -3.5019 -3.5019 -3.2105 -3.2105 1.3020 1.3020 3.3541 3.3541 3.8227 3.8227 4.0706 4.0706 4.5869 4.5869 5.3653 5.3653 6.1781 6.1781 6.2877 6.2877 6.3448 6.3448 6.6182 6.6182 8.1041 8.1041 8.2304 8.2304 12.1482 12.1482 12.2660 12.2660 12.8184 12.8184 13.0889 13.0889 k = 0.3651 0.3651-0.0000 ( 4058 PWs) bands (ev): -3.5274 -3.5274 -3.2009 -3.2009 1.1835 1.1835 3.3976 3.3976 3.8370 3.8370 4.0957 4.0957 4.6169 4.6169 5.3036 5.3036 6.1990 6.1990 6.3077 6.3077 6.3538 6.3538 6.7959 6.7959 8.1229 8.1229 8.2539 8.2539 12.1219 12.1219 12.1963 12.1963 12.7796 12.7796 13.0446 13.0446 k = 0.3571 0.3571-0.0000 ( 4066 PWs) bands (ev): -3.5543 -3.5543 -3.1914 -3.1914 1.0670 1.0670 3.4436 3.4436 3.8553 3.8553 4.1224 4.1224 4.6489 4.6489 5.2406 5.2406 6.2127 6.2127 6.3300 6.3300 6.3631 6.3631 6.9777 6.9777 8.1440 8.1440 8.2788 8.2788 12.0920 12.0920 12.1363 12.1363 12.7408 12.7408 13.0041 13.0041 k = 0.3492 0.3492-0.0000 ( 4064 PWs) bands (ev): -3.5828 -3.5828 -3.1821 -3.1821 0.9527 0.9527 3.4921 3.4921 3.8777 3.8777 4.1505 4.1505 4.6830 4.6830 5.1769 5.1769 6.2201 6.2201 6.3544 6.3544 6.3730 6.3730 7.1621 7.1621 8.1672 8.1672 8.3051 8.3051 12.0333 12.0333 12.1104 12.1104 12.7022 12.7022 12.9689 12.9689 k = 0.3413 0.3413-0.0000 ( 4054 PWs) bands (ev): -3.6127 -3.6127 -3.1731 -3.1731 0.8406 0.8406 3.5432 3.5432 3.9043 3.9043 4.1803 4.1803 4.7191 4.7191 5.1135 5.1135 6.2217 6.2217 6.3794 6.3794 6.3847 6.3847 7.3483 7.3483 8.1923 8.1923 8.3329 8.3329 11.9605 11.9605 12.1022 12.1022 12.6642 12.6642 12.9405 12.9405 k = 0.3333 0.3333-0.0000 ( 4066 PWs) bands (ev): -3.6440 -3.6440 -3.1645 -3.1645 0.7308 0.7308 3.5966 3.5966 3.9350 3.9350 4.2117 4.2117 4.7569 4.7569 5.0511 5.0511 6.2178 6.2178 6.3937 6.3937 6.4093 6.4093 7.5357 7.5357 8.2193 8.2193 8.3620 8.3620 11.8840 11.8840 12.0995 12.0995 12.6268 12.6268 12.9204 12.9204 k = 0.3254 0.3254-0.0000 ( 4061 PWs) bands (ev): -3.6765 -3.6765 -3.1564 -3.1564 0.6233 0.6233 3.6525 3.6525 3.9698 3.9698 4.2446 4.2446 4.7958 4.7958 4.9911 4.9911 6.2087 6.2087 6.4057 6.4057 6.4384 6.4384 7.7240 7.7240 8.2480 8.2480 8.3923 8.3923 11.8053 11.8053 12.0988 12.0988 12.5902 12.5902 12.9092 12.9092 k = 0.3175 0.3175-0.0000 ( 4071 PWs) bands (ev): -3.7104 -3.7104 -3.1489 -3.1489 0.5183 0.5183 3.7108 3.7108 4.0087 4.0087 4.2791 4.2791 4.8318 4.8318 4.9377 4.9377 6.1950 6.1950 6.4184 6.4184 6.4687 6.4687 7.9128 7.9128 8.2782 8.2782 8.4239 8.4239 11.7246 11.7246 12.0979 12.0979 12.5546 12.5546 12.9047 12.9047 k = 0.3095 0.3095-0.0000 ( 4067 PWs) bands (ev): -3.7453 -3.7453 -3.1420 -3.1420 0.4158 0.4158 3.7715 3.7715 4.0513 4.0513 4.3153 4.3153 4.8388 4.8388 4.9179 4.9179 6.1770 6.1770 6.4320 6.4320 6.4998 6.4998 8.1017 8.1017 8.3100 8.3100 8.4566 8.4566 11.6419 11.6419 12.0951 12.0951 12.5201 12.5201 12.8902 12.8902 k = 0.3016 0.3016-0.0000 ( 4071 PWs) bands (ev): -3.7814 -3.7814 -3.1360 -3.1360 0.3158 0.3158 3.8344 3.8344 4.0976 4.0976 4.3531 4.3531 4.7979 4.7979 4.9509 4.9509 6.1555 6.1555 6.4465 6.4465 6.5316 6.5316 8.2897 8.2897 8.3435 8.3435 8.4905 8.4905 11.5572 11.5572 12.0894 12.0894 12.4865 12.4865 12.8442 12.8442 k = 0.2937 0.2937-0.0000 ( 4079 PWs) bands (ev): -3.8184 -3.8184 -3.1308 -3.1308 0.2183 0.2183 3.8996 3.8996 4.1473 4.1473 4.3925 4.3925 4.7480 4.7480 4.9980 4.9980 6.1311 6.1311 6.4620 6.4620 6.5636 6.5636 8.3768 8.3768 8.4768 8.4768 8.5269 8.5269 11.4704 11.4704 12.0809 12.0809 12.4537 12.4537 12.7817 12.7817 k = 0.2857 0.2857-0.0000 ( 4083 PWs) bands (ev): -3.8563 -3.8563 -3.1265 -3.1265 0.1234 0.1234 3.9670 3.9670 4.1999 4.1999 4.4336 4.4336 4.6990 4.6990 5.0500 5.0500 6.1048 6.1048 6.4785 6.4785 6.5956 6.5956 8.4125 8.4125 8.5582 8.5582 8.6672 8.6672 11.3813 11.3813 12.0699 12.0699 12.4214 12.4214 12.7130 12.7130 k = 0.2778 0.2778-0.0000 ( 4091 PWs) bands (ev): -3.8950 -3.8950 -3.1232 -3.1232 0.0311 0.0311 4.0365 4.0365 4.2549 4.2549 4.4764 4.4764 4.6526 4.6526 5.1052 5.1052 6.0773 6.0773 6.4962 6.4962 6.6273 6.6273 8.4491 8.4491 8.5946 8.5946 8.8515 8.8515 11.2900 11.2900 12.0576 12.0576 12.3889 12.3889 12.6410 12.6410 k = 0.2698 0.2698-0.0000 ( 4091 PWs) bands (ev): -3.9343 -3.9343 -3.1210 -3.1210 -0.0587 -0.0587 4.1080 4.1080 4.3117 4.3117 4.5210 4.5210 4.6096 4.6096 5.1632 5.1632 6.0498 6.0498 6.5149 6.5149 6.6584 6.6584 8.4868 8.4868 8.6308 8.6308 9.0338 9.0338 11.1963 11.1963 12.0450 12.0450 12.3548 12.3548 12.5667 12.5667 k = 0.2619 0.2619-0.0000 ( 4087 PWs) bands (ev): -3.9742 -3.9742 -3.1199 -3.1199 -0.1458 -0.1458 4.1815 4.1815 4.3695 4.3695 4.5674 4.5674 4.5702 4.5702 5.2241 5.2241 6.0234 6.0234 6.5349 6.5349 6.6886 6.6886 8.5253 8.5253 8.6670 8.6670 9.2127 9.2127 11.1004 11.1004 12.0333 12.0333 12.3167 12.3167 12.4910 12.4910 k = 0.2540 0.2540-0.0000 ( 4087 PWs) bands (ev): -4.0144 -4.0144 -3.1198 -3.1198 -0.2302 -0.2302 4.2567 4.2567 4.4272 4.4272 4.5350 4.5350 4.6157 4.6157 5.2876 5.2876 5.9994 5.9994 6.5561 6.5561 6.7176 6.7176 8.5647 8.5647 8.7031 8.7031 9.3874 9.3874 11.0021 11.0021 12.0236 12.0236 12.2709 12.2709 12.4147 12.4147 k = 0.2460 0.2460-0.0000 ( 4089 PWs) bands (ev): -4.0550 -4.0550 -3.1209 -3.1209 -0.3120 -0.3120 4.3336 4.3336 4.4824 4.4824 4.5053 4.5053 4.6659 4.6659 5.3537 5.3537 5.9794 5.9794 6.5786 6.5786 6.7449 6.7449 8.6049 8.6049 8.7386 8.7386 9.5566 9.5566 10.9016 10.9016 12.0166 12.0166 12.2128 12.2128 12.3382 12.3382 k = 0.2381 0.2381-0.0000 ( 4085 PWs) bands (ev): -4.0958 -4.0958 -3.1231 -3.1231 -0.3912 -0.3912 4.4116 4.4116 4.4758 4.4758 4.5395 4.5395 4.7182 4.7182 5.4224 5.4224 5.9650 5.9650 6.6024 6.6024 6.7704 6.7704 8.6458 8.6458 8.7735 8.7735 9.7190 9.7190 10.7990 10.7990 12.0124 12.0124 12.1408 12.1408 12.2612 12.2612 k = 0.2302 0.2302-0.0000 ( 4083 PWs) bands (ev): -4.1366 -4.1366 -3.1265 -3.1265 -0.4677 -0.4677 4.4516 4.4516 4.4931 4.4931 4.5895 4.5895 4.7728 4.7728 5.4937 5.4937 5.9579 5.9579 6.6276 6.6276 6.7936 6.7936 8.6871 8.6871 8.8072 8.8072 9.8733 9.8733 10.6942 10.6942 12.0029 12.0029 12.0654 12.0654 12.1844 12.1844 k = 0.2222 0.2222-0.0000 ( 4087 PWs) bands (ev): -4.1773 -4.1773 -3.1309 -3.1309 -0.5415 -0.5415 4.4340 4.4340 4.5729 4.5729 4.6342 4.6342 4.8299 4.8299 5.5675 5.5675 5.9599 5.9599 6.6542 6.6542 6.8143 6.8143 8.7289 8.7289 8.8395 8.8395 10.0179 10.0179 10.5875 10.5875 11.9402 11.9402 12.0389 12.0389 12.1099 12.1099 k = 0.2143 0.2143-0.0000 ( 4079 PWs) bands (ev): -4.2179 -4.2179 -3.1364 -3.1364 -0.6127 -0.6127 4.4201 4.4201 4.6538 4.6538 4.6718 4.6718 4.8897 4.8897 5.6437 5.6437 5.9728 5.9728 6.6822 6.6822 6.8322 6.8322 8.7708 8.7708 8.8699 8.8699 10.1513 10.1513 10.4793 10.4793 11.8447 11.8447 12.0207 12.0207 12.0637 12.0637 k = 0.2063 0.2063-0.0000 ( 4085 PWs) bands (ev): -4.2581 -4.2581 -3.1429 -3.1429 -0.6812 -0.6812 4.4105 4.4105 4.7006 4.7006 4.7353 4.7353 4.9528 4.9528 5.7223 5.7223 5.9979 5.9979 6.7117 6.7117 6.8471 6.8471 8.8126 8.8126 8.8979 8.8979 10.2706 10.2706 10.3710 10.3710 11.7450 11.7450 11.9544 11.9544 12.0774 12.0774 k = 0.1984 0.1984-0.0000 ( 4085 PWs) bands (ev): -4.2979 -4.2979 -3.1504 -3.1504 -0.7471 -0.7471 4.4052 4.4052 4.7206 4.7206 4.8158 4.8158 5.0195 5.0195 5.8032 5.8032 6.0359 6.0359 6.7426 6.7426 6.8588 6.8588 8.8539 8.8539 8.9230 8.9230 10.2538 10.2538 10.3841 10.3841 11.6460 11.6460 11.8856 11.8856 12.1028 12.1028 k = 0.1905 0.1905-0.0000 ( 4089 PWs) bands (ev): -4.3371 -4.3371 -3.1587 -3.1587 -0.8103 -0.8103 4.4043 4.4043 4.7314 4.7314 4.8952 4.8952 5.0903 5.0903 5.8863 5.8863 6.0870 6.0870 6.7748 6.7748 6.8672 6.8672 8.8944 8.8944 8.9448 8.9448 10.1420 10.1420 10.4772 10.4772 11.5498 11.5498 11.8197 11.8197 12.1329 12.1329 k = 0.1825 0.1825-0.0000 ( 4093 PWs) bands (ev): -4.3757 -4.3757 -3.1679 -3.1679 -0.8709 -0.8709 4.4076 4.4076 4.7336 4.7336 4.9729 4.9729 5.1656 5.1656 5.9713 5.9713 6.1503 6.1503 6.8081 6.8081 6.8727 6.8727 8.9333 8.9333 8.9628 8.9628 10.0280 10.0280 10.5582 10.5582 11.4578 11.4578 11.7578 11.7578 12.1648 12.1648 k = 0.1746 0.1746-0.0000 ( 4091 PWs) bands (ev): -4.4135 -4.4135 -3.1777 -3.1777 -0.9288 -0.9288 4.4150 4.4150 4.7282 4.7282 5.0487 5.0487 5.2455 5.2455 6.0582 6.0582 6.2249 6.2249 6.8403 6.8403 6.8771 6.8771 8.9687 8.9687 8.9782 8.9782 9.9129 9.9129 10.6267 10.6267 11.3710 11.3710 11.7005 11.7005 12.1950 12.1950 k = 0.1667 0.1667-0.0000 ( 4083 PWs) bands (ev): -4.4504 -4.4504 -3.1882 -3.1882 -0.9841 -0.9841 4.4264 4.4264 4.7165 4.7165 5.1226 5.1226 5.3297 5.3297 6.1466 6.1466 6.3093 6.3093 6.8587 6.8587 6.8935 6.8935 8.9831 8.9831 9.0072 9.0072 9.7971 9.7971 10.6842 10.6842 11.2903 11.2903 11.6484 11.6484 12.2117 12.2118 k = 0.1587 0.1587-0.0000 ( 4083 PWs) bands (ev): -4.4863 -4.4863 -3.1992 -3.1992 -1.0367 -1.0367 4.4417 4.4417 4.6999 4.6999 5.1949 5.1949 5.4177 5.4177 6.2361 6.2361 6.4021 6.4021 6.8572 6.8572 6.9280 6.9280 8.9865 8.9865 9.0388 9.0388 9.6807 9.6807 10.7319 10.7319 11.2164 11.2164 11.6020 11.6020 12.1895 12.1895 k = 0.1508 0.1508-0.0000 ( 4085 PWs) bands (ev): -4.5211 -4.5211 -3.2106 -3.2106 -1.0868 -1.0868 4.4606 4.4606 4.6794 4.6794 5.2661 5.2661 5.5087 5.5087 6.3261 6.3261 6.5016 6.5016 6.8492 6.8492 6.9678 6.9678 8.9837 8.9837 9.0672 9.0672 9.5640 9.5640 10.7716 10.7716 11.1497 11.1497 11.5616 11.5616 12.1584 12.1584 k = 0.1429 0.1429-0.0000 ( 4081 PWs) bands (ev): -4.5547 -4.5547 -3.2223 -3.2223 -1.1342 -1.1342 4.4830 4.4830 4.6564 4.6564 5.3365 5.3365 5.6023 5.6023 6.4156 6.4156 6.6065 6.6065 6.8384 6.8384 7.0101 7.0101 8.9749 8.9749 9.0915 9.0915 9.4473 9.4473 10.8048 10.8048 11.0907 11.0907 11.5275 11.5275 12.1234 12.1234 k = 0.1349 0.1349-0.0000 ( 4083 PWs) bands (ev): -4.5870 -4.5870 -3.2341 -3.2341 -1.1790 -1.1790 4.5087 4.5087 4.6316 4.6316 5.4064 5.4064 5.6976 5.6976 6.5020 6.5020 6.7155 6.7155 6.8275 6.8275 7.0545 7.0545 8.9598 8.9598 9.1113 9.1113 9.3308 9.3308 10.8325 10.8325 11.0397 11.0397 11.4997 11.4997 12.0851 12.0851 k = 0.1270 0.1270-0.0000 ( 4087 PWs) bands (ev): -4.6180 -4.6180 -3.2460 -3.2460 -1.2212 -1.2212 4.5370 4.5370 4.6061 4.6061 5.4758 5.4758 5.7943 5.7943 6.5797 6.5797 6.8222 6.8222 6.8274 6.8274 7.1008 7.1008 8.9384 8.9384 9.1260 9.1260 9.2151 9.2151 10.8553 10.8553 10.9972 10.9972 11.4781 11.4781 12.0441 12.0441 k = 0.1190 0.1190-0.0000 ( 4087 PWs) bands (ev): -4.6475 -4.6475 -3.2579 -3.2579 -1.2608 -1.2608 4.5649 4.5649 4.5836 4.5836 5.5449 5.5449 5.8919 5.8919 6.6345 6.6345 6.8370 6.8370 6.9406 6.9406 7.1492 7.1492 8.9109 8.9109 9.0974 9.0974 9.1384 9.1384 10.8717 10.8717 10.9652 10.9652 11.4625 11.4625 12.0011 12.0011 k = 0.1111 0.1111-0.0000 ( 4099 PWs) bands (ev): -4.6755 -4.6755 -3.2696 -3.2696 -1.2978 -1.2978 4.5515 4.5515 4.6049 4.6049 5.6135 5.6135 5.9899 5.9899 6.6514 6.6514 6.8865 6.8865 7.0540 7.0540 7.2000 7.2000 8.8773 8.8773 8.9840 8.9840 9.1428 9.1428 10.8754 10.8754 10.9500 10.9500 11.4526 11.4526 11.9572 11.9572 k = 0.1032 0.1032-0.0000 ( 4091 PWs) bands (ev): -4.7018 -4.7018 -3.2810 -3.2810 -1.3322 -1.3322 4.5267 4.5267 4.6403 4.6403 5.6815 5.6815 6.0879 6.0879 6.6394 6.6394 6.9616 6.9616 7.1651 7.1651 7.2543 7.2543 8.8372 8.8372 8.8719 8.8719 9.1436 9.1436 10.8625 10.8625 10.9553 10.9553 11.4476 11.4476 11.9134 11.9134 k = 0.0952 0.0952-0.0000 ( 4079 PWs) bands (ev): -4.7265 -4.7265 -3.2921 -3.2921 -1.3640 -1.3640 4.5022 4.5022 4.6780 4.6780 5.7486 5.7486 6.1856 6.1856 6.6137 6.6137 7.0471 7.0471 7.2665 7.2665 7.3186 7.3186 8.7562 8.7562 8.7968 8.7968 9.1406 9.1406 10.8414 10.8414 10.9719 10.9719 11.4472 11.4472 11.8708 11.8708 k = 0.0873 0.0873-0.0000 ( 4075 PWs) bands (ev): -4.7494 -4.7494 -3.3027 -3.3027 -1.3933 -1.3933 4.4789 4.4789 4.7171 4.7171 5.8144 5.8144 6.2825 6.2825 6.5814 6.5814 7.1357 7.1357 7.3419 7.3419 7.4080 7.4080 8.6467 8.6467 8.7474 8.7474 9.1342 9.1342 10.8178 10.8178 10.9935 10.9935 11.4504 11.4504 11.8298 11.8298 k = 0.0794 0.0794-0.0000 ( 4081 PWs) bands (ev): -4.7706 -4.7706 -3.3126 -3.3126 -1.4200 -1.4200 4.4570 4.4570 4.7571 4.7571 5.8785 5.8785 6.3782 6.3782 6.5454 6.5454 7.2244 7.2244 7.4031 7.4031 7.5094 7.5094 8.5383 8.5383 8.6947 8.6947 9.1251 9.1251 10.7925 10.7925 11.0185 11.0185 11.4565 11.4565 11.7770 11.7770 k = 0.0714 0.0714-0.0000 ( 4077 PWs) bands (ev): -4.7899 -4.7899 -3.3220 -3.3220 -1.4442 -1.4442 4.4367 4.4367 4.7973 4.7973 5.9404 5.9404 6.4721 6.4721 6.5078 6.5078 7.3113 7.3113 7.4623 7.4623 7.6092 7.6092 8.4323 8.4323 8.6387 8.6387 9.1140 9.1140 10.7653 10.7653 11.0467 11.0467 11.4647 11.4647 11.6715 11.6715 k = 0.0635 0.0635-0.0000 ( 4079 PWs) bands (ev): -4.8073 -4.8073 -3.3305 -3.3305 -1.4658 -1.4658 4.4181 4.4181 4.8371 4.8371 5.9991 5.9991 6.4693 6.4693 6.5642 6.5642 7.3949 7.3949 7.5220 7.5220 7.7039 7.7039 8.3290 8.3290 8.5800 8.5800 9.1016 9.1016 10.7363 10.7363 11.0783 11.0783 11.4737 11.4737 11.5654 11.5654 k = 0.0556 0.0556-0.0000 ( 4081 PWs) bands (ev): -4.8227 -4.8227 -3.3383 -3.3383 -1.4848 -1.4848 4.4015 4.4015 4.8758 4.8758 6.0541 6.0541 6.4317 6.4317 6.6533 6.6533 7.4738 7.4738 7.5825 7.5825 7.7916 7.7916 8.2292 8.2292 8.5189 8.5189 9.0884 9.0884 10.7058 10.7058 11.1136 11.1136 11.4607 11.4607 11.4907 11.4907 k = 0.0476 0.0476-0.0000 ( 4081 PWs) bands (ev): -4.8362 -4.8362 -3.3451 -3.3451 -1.5013 -1.5013 4.3869 4.3869 4.9125 4.9125 6.1041 6.1041 6.3959 6.3959 6.7390 6.7390 7.5467 7.5467 7.6440 7.6440 7.8708 7.8708 8.1337 8.1337 8.4562 8.4562 9.0753 9.0753 10.6747 10.6747 11.1527 11.1527 11.3767 11.3767 11.4972 11.4972 k = 0.0397 0.0397-0.0000 ( 4085 PWs) bands (ev): -4.8476 -4.8476 -3.3510 -3.3510 -1.5153 -1.5153 4.3744 4.3744 4.9461 4.9461 6.1480 6.1480 6.3636 6.3636 6.8201 6.8201 7.6122 7.6122 7.7063 7.7063 7.9400 7.9400 8.0437 8.0437 8.3926 8.3926 9.0627 9.0627 10.6442 10.6442 11.1956 11.1956 11.3010 11.3010 11.5067 11.5067 k = 0.0317 0.0317-0.0000 ( 4085 PWs) bands (ev): -4.8570 -4.8570 -3.3559 -3.3559 -1.5267 -1.5267 4.3641 4.3641 4.9758 4.9758 6.1841 6.1841 6.3364 6.3364 6.8951 6.8951 7.6686 7.6686 7.7693 7.7693 7.9609 7.9609 7.9979 7.9979 8.3287 8.3287 9.0512 9.0512 10.6162 10.6162 11.2293 11.2293 11.2505 11.2505 11.5151 11.5151 k = 0.0238 0.0238-0.0000 ( 4089 PWs) bands (ev): -4.8644 -4.8644 -3.3598 -3.3598 -1.5356 -1.5356 4.3560 4.3560 5.0004 5.0004 6.2103 6.2103 6.3167 6.3167 6.9614 6.9614 7.7146 7.7146 7.8323 7.8323 7.8883 7.8883 8.0424 8.0424 8.2664 8.2664 9.0415 9.0415 10.5922 10.5922 11.1841 11.1841 11.2959 11.2959 11.5216 11.5216 k = 0.0159 0.0159-0.0000 ( 4089 PWs) bands (ev): -4.8696 -4.8696 -3.3626 -3.3626 -1.5419 -1.5419 4.3502 4.3502 5.0189 5.0189 6.2249 6.2249 6.3065 6.3065 7.0152 7.0152 7.7485 7.7485 7.8297 7.8297 7.8943 7.8943 8.0703 8.0703 8.2093 8.2093 9.0341 9.0341 10.5738 10.5738 11.1475 11.1475 11.3492 11.3492 11.5248 11.5249 k = 0.0079 0.0079-0.0000 ( 4071 PWs) bands (ev): -4.8728 -4.8728 -3.3642 -3.3642 -1.5457 -1.5457 4.3467 4.3467 5.0304 5.0304 6.2296 6.2296 6.3044 6.3044 7.0513 7.0513 7.7690 7.7690 7.7912 7.7912 7.9516 7.9516 8.0729 8.0729 8.1692 8.1692 9.0295 9.0295 10.5622 10.5622 11.1252 11.1252 11.4022 11.4022 11.5193 11.5193 k = 0.0000 0.0000 0.0000 ( 4067 PWs) bands (ev): -4.8739 -4.8739 -3.3648 -3.3648 -1.5470 -1.5470 4.3456 4.3456 5.0343 5.0343 6.2302 6.2302 6.3046 6.3046 7.0641 7.0641 7.7731 7.7731 7.7804 7.7804 7.9839 7.9839 8.0589 8.0589 8.1577 8.1577 9.0279 9.0279 10.5582 10.5582 11.1177 11.1177 11.4345 11.4345 11.5036 11.5036 k = 0.0000 0.0000 0.0000 ( 4067 PWs) bands (ev): -4.8739 -4.8739 -3.3648 -3.3648 -1.5470 -1.5470 4.3456 4.3456 5.0343 5.0343 6.2302 6.2302 6.3046 6.3046 7.0641 7.0641 7.7731 7.7731 7.7804 7.7804 7.9839 7.9839 8.0589 8.0589 8.1577 8.1577 9.0279 9.0279 10.5582 10.5582 11.1177 11.1177 11.4345 11.4345 11.5036 11.5036 k = 0.0000 0.0000 0.0110 ( 4087 PWs) bands (ev): -4.8735 -4.8735 -3.3656 -3.3656 -1.5464 -1.5464 4.3369 4.3369 5.0465 5.0465 6.2304 6.2304 6.3048 6.3048 7.0648 7.0648 7.7722 7.7722 7.7795 7.7795 7.9824 7.9824 8.0593 8.0593 8.1582 8.1582 9.0205 9.0205 10.5610 10.5610 11.1200 11.1200 11.4347 11.4347 11.5049 11.5049 k = 0.0000 0.0000 0.0220 ( 4071 PWs) bands (ev): -4.8726 -4.8726 -3.3680 -3.3680 -1.5447 -1.5447 4.3128 4.3128 5.0813 5.0813 6.2309 6.2309 6.3054 6.3054 7.0670 7.0670 7.7698 7.7698 7.7768 7.7768 7.9778 7.9778 8.0606 8.0606 8.1596 8.1596 8.9986 8.9986 10.5695 10.5695 11.1268 11.1268 11.4356 11.4356 11.5087 11.5087 k = 0.0000 0.0000 0.0330 ( 4083 PWs) bands (ev): -4.8710 -4.8710 -3.3720 -3.3720 -1.5419 -1.5419 4.2771 4.2771 5.1347 5.1347 6.2317 6.2317 6.3064 6.3064 7.0707 7.0707 7.7658 7.7658 7.7724 7.7724 7.9702 7.9702 8.0626 8.0626 8.1618 8.1618 8.9624 8.9624 10.5839 10.5839 11.1380 11.1380 11.4370 11.4370 11.5149 11.5149 k = 0.0000 0.0000 0.0440 ( 4083 PWs) bands (ev): -4.8688 -4.8688 -3.3774 -3.3774 -1.5381 -1.5381 4.2341 4.2341 5.2025 5.2025 6.2328 6.2328 6.3078 6.3078 7.0758 7.0758 7.7605 7.7605 7.7666 7.7666 7.9599 7.9599 8.0652 8.0652 8.1647 8.1647 8.9126 8.9126 10.6041 10.6041 11.1533 11.1533 11.4389 11.4389 11.5234 11.5234 k = 0.0000 0.0000 0.0550 ( 4079 PWs) bands (ev): -4.8661 -4.8661 -3.3841 -3.3841 -1.5334 -1.5334 4.1873 4.1873 5.2813 5.2813 6.2341 6.2341 6.3095 6.3095 7.0822 7.0822 7.7540 7.7540 7.7594 7.7594 7.9470 7.9470 8.0684 8.0684 8.1683 8.1683 8.8500 8.8500 10.6306 10.6306 11.1724 11.1724 11.4414 11.4414 11.5341 11.5341 k = 0.0000 0.0000 0.0660 ( 4086 PWs) bands (ev): -4.8629 -4.8629 -3.3920 -3.3920 -1.5279 -1.5279 4.1391 4.1391 5.3684 5.3684 6.2357 6.2357 6.3115 6.3115 7.0900 7.0900 7.7466 7.7466 7.7511 7.7511 7.9317 7.9317 8.0718 8.0718 8.1723 8.1723 8.7756 8.7756 10.6632 10.6632 11.1949 11.1949 11.4444 11.4444 11.5467 11.5467 k = 0.0000 0.0000 0.0770 ( 4086 PWs) bands (ev): -4.8593 -4.8593 -3.4008 -3.4008 -1.5218 -1.5218 4.0912 4.0912 5.4624 5.4624 6.2376 6.2376 6.3138 6.3138 7.0990 7.0990 7.7385 7.7385 7.7420 7.7420 7.9144 7.9144 8.0754 8.0754 8.1766 8.1766 8.6905 8.6905 10.7022 10.7022 11.2203 11.2203 11.4479 11.4479 11.5610 11.5610 k = 0.0000 0.0000 0.0880 ( 4106 PWs) bands (ev): -4.8553 -4.8553 -3.4103 -3.4103 -1.5153 -1.5153 4.0446 4.0446 5.5620 5.5620 6.2396 6.2396 6.3163 6.3163 7.1091 7.1091 7.7299 7.7299 7.7323 7.7323 7.8954 7.8954 8.0789 8.0789 8.1811 8.1811 8.5961 8.5961 10.7475 10.7475 11.2480 11.2480 11.4520 11.4520 11.5768 11.5768 k = 0.0000 0.0000 0.0990 ( 4114 PWs) bands (ev): -4.8511 -4.8511 -3.4204 -3.4204 -1.5084 -1.5084 4.0002 4.0002 5.6663 5.6663 6.2417 6.2417 6.3189 6.3189 7.1202 7.1202 7.7210 7.7210 7.7223 7.7223 7.8750 7.8750 8.0821 8.0821 8.1856 8.1856 8.4937 8.4937 10.7989 10.7989 11.2772 11.2772 11.4565 11.4565 11.5936 11.5936 k = 0.0000 0.0000 0.1100 ( 4114 PWs) bands (ev): -4.8468 -4.8468 -3.4306 -3.4306 -1.5014 -1.5014 3.9585 3.9585 5.7748 5.7748 6.2439 6.2439 6.3216 6.3216 7.1322 7.1322 7.7122 7.7122 7.7123 7.7123 7.8537 7.8537 8.0843 8.0843 8.1900 8.1900 8.3850 8.3850 10.8562 10.8562 11.3074 11.3074 11.4617 11.4617 11.6111 11.6111 k = 0.0000 0.0000 0.1210 ( 4114 PWs) bands (ev): -4.8424 -4.8424 -3.4409 -3.4409 -1.4945 -1.4945 3.9200 3.9200 5.8868 5.8868 6.2463 6.2463 6.3244 6.3244 7.1447 7.1447 7.7024 7.7024 7.7035 7.7035 7.8319 7.8319 8.0838 8.0838 8.1943 8.1943 8.2728 8.2728 10.9192 10.9192 11.3377 11.3377 11.4673 11.4673 11.6307 11.6307 k = 0.0000 0.0000 0.1320 ( 4118 PWs) bands (ev): -4.8380 -4.8380 -3.4509 -3.4509 -1.4878 -1.4878 3.8849 3.8849 6.0018 6.0018 6.2488 6.2488 6.3271 6.3271 7.1577 7.1577 7.6929 7.6929 7.6952 7.6952 7.8100 7.8100 8.0705 8.0705 8.1685 8.1685 8.1983 8.1983 10.9873 10.9873 11.3670 11.3670 11.4737 11.4737 11.6286 11.6286 k = 0.0000 0.0000 0.1430 ( 4106 PWs) bands (ev): -4.8339 -4.8339 -3.4604 -3.4604 -1.4814 -1.4814 3.8535 3.8535 6.1187 6.1187 6.2520 6.2520 6.3296 6.3296 7.1709 7.1709 7.6840 7.6840 7.6874 7.6874 7.7885 7.7885 7.9970 7.9970 8.1204 8.1204 8.2019 8.2019 11.0601 11.0601 11.3944 11.3944 11.4810 11.4810 11.6252 11.6252 k = 0.0000 0.0000 0.1540 ( 4098 PWs) bands (ev): -4.8300 -4.8300 -3.4692 -3.4692 -1.4756 -1.4756 3.8259 3.8259 6.2273 6.2273 6.2656 6.2656 6.3320 6.3320 7.1837 7.1837 7.6758 7.6758 7.6803 7.6803 7.7680 7.7680 7.8796 7.8796 8.1134 8.1134 8.2052 8.2052 11.1368 11.1368 11.4186 11.4186 11.4896 11.4896 11.6212 11.6212 k = 0.0000 0.0000 0.1650 ( 4082 PWs) bands (ev): -4.8265 -4.8265 -3.4770 -3.4770 -1.4704 -1.4704 3.8024 3.8024 6.2498 6.2498 6.3342 6.3342 6.3664 6.3664 7.1959 7.1959 7.6686 7.6686 7.6739 7.6739 7.7491 7.7491 7.7542 7.7542 8.1128 8.1128 8.2080 8.2080 11.2164 11.2164 11.4383 11.4383 11.4997 11.4997 11.6169 11.6169 k = 0.0000 0.0000 0.1760 ( 4090 PWs) bands (ev): -4.8235 -4.8235 -3.4837 -3.4837 -1.4661 -1.4661 3.7829 3.7829 6.2528 6.2528 6.3360 6.3360 6.4871 6.4871 7.2070 7.2070 7.6265 7.6265 7.6625 7.6625 7.6694 7.6694 7.7324 7.7324 8.1135 8.1135 8.2103 8.2103 11.2970 11.2970 11.4529 11.4529 11.5113 11.5113 11.6127 11.6127 k = 0.0000 0.0000 0.1870 ( 4090 PWs) bands (ev): -4.8210 -4.8210 -3.4891 -3.4891 -1.4625 -1.4625 3.7677 3.7677 6.2544 6.2544 6.3375 6.3375 6.6071 6.6071 7.2164 7.2164 7.5018 7.5018 7.6576 7.6576 7.6648 7.6648 7.7185 7.7185 8.1144 8.1144 8.2122 8.2122 11.3759 11.3759 11.4629 11.4629 11.5230 11.5230 11.6088 11.6088 k = 0.0000 0.0000 0.1980 ( 4082 PWs) bands (ev): -4.8192 -4.8192 -3.4930 -3.4930 -1.4600 -1.4600 3.7568 3.7568 6.2555 6.2555 6.3386 6.3386 6.7213 6.7213 7.2236 7.2236 7.3840 7.3840 7.6540 7.6540 7.6617 7.6617 7.7080 7.7080 8.1152 8.1152 8.2135 8.2135 11.4475 11.4475 11.4692 11.4693 11.5330 11.5330 11.6056 11.6056 k = 0.0000 0.0000 0.2090 ( 4090 PWs) bands (ev): -4.8181 -4.8181 -3.4954 -3.4954 -1.4584 -1.4584 3.7503 3.7503 6.2561 6.2561 6.3393 6.3393 6.8167 6.8167 7.2281 7.2281 7.2863 7.2863 7.6518 7.6518 7.6598 7.6598 7.7015 7.7015 8.1157 8.1157 8.2143 8.2143 11.4728 11.4728 11.5016 11.5016 11.5397 11.5397 11.6034 11.6034 k = 0.0000 0.0000 0.2200 ( 4098 PWs) bands (ev): -4.8178 -4.8178 -3.4962 -3.4962 -1.4579 -1.4579 3.7481 3.7481 6.2563 6.2563 6.3395 6.3395 6.8592 6.8592 7.2297 7.2297 7.2430 7.2430 7.6510 7.6510 7.6592 7.6592 7.6993 7.6993 8.1159 8.1159 8.2146 8.2146 11.4739 11.4739 11.5228 11.5228 11.5420 11.5420 11.6026 11.6026 k = 0.0000 0.0000 0.2200 ( 4098 PWs) bands (ev): -4.8178 -4.8178 -3.4962 -3.4962 -1.4579 -1.4579 3.7481 3.7481 6.2563 6.2563 6.3395 6.3395 6.8592 6.8592 7.2297 7.2297 7.2430 7.2430 7.6510 7.6510 7.6592 7.6592 7.6993 7.6993 8.1159 8.1159 8.2146 8.2146 11.4739 11.4739 11.5228 11.5228 11.5420 11.5420 11.6026 11.6026 k = 0.0000 0.0111 0.2200 ( 4102 PWs) bands (ev): -4.8168 -4.8168 -3.4955 -3.4955 -1.4569 -1.4569 3.7491 3.7491 6.2498 6.2498 6.3333 6.3333 6.8579 6.8579 7.2078 7.2078 7.2506 7.2506 7.6545 7.6545 7.6645 7.6645 7.7044 7.7044 8.1168 8.1168 8.2153 8.2153 11.4785 11.4785 11.5152 11.5152 11.5479 11.5479 11.5744 11.5744 k = 0.0000 0.0222 0.2200 ( 4100 PWs) bands (ev): -4.8138 -4.8138 -3.4933 -3.4933 -1.4539 -1.4539 3.7523 3.7523 6.2270 6.2270 6.3198 6.3198 6.8535 6.8535 7.1500 7.1500 7.2714 7.2714 7.6595 7.6595 7.6784 7.6784 7.7199 7.7199 8.1174 8.1174 8.2206 8.2206 11.4879 11.4879 11.4922 11.4922 11.5244 11.5244 11.5650 11.5650 k = 0.0000 0.0333 0.2200 ( 4104 PWs) bands (ev): -4.8089 -4.8089 -3.4897 -3.4897 -1.4489 -1.4489 3.7574 3.7574 6.1827 6.1827 6.3078 6.3078 6.8432 6.8432 7.0710 7.0710 7.3010 7.3010 7.6660 7.6660 7.6883 7.6883 7.7463 7.7463 8.1112 8.1112 8.2385 8.2385 11.4441 11.4441 11.4632 11.4632 11.5244 11.5244 11.5927 11.5927 k = 0.0000 0.0444 0.2200 ( 4104 PWs) bands (ev): -4.8019 -4.8019 -3.4846 -3.4846 -1.4420 -1.4420 3.7647 3.7647 6.1195 6.1195 6.2992 6.2992 6.8182 6.8182 6.9885 6.9885 7.3344 7.3344 7.6745 7.6745 7.6858 7.6858 7.7841 7.7841 8.0937 8.0937 8.2740 8.2740 11.3815 11.3815 11.4198 11.4198 11.5545 11.5545 11.6292 11.6292 k = 0.0000 0.0556 0.2200 ( 4102 PWs) bands (ev): -4.7931 -4.7931 -3.4781 -3.4781 -1.4330 -1.4330 3.7739 3.7739 6.0432 6.0432 6.2923 6.2923 6.7582 6.7582 6.9278 6.9278 7.3676 7.3676 7.6687 7.6687 7.6861 7.6861 7.8332 7.8332 8.0657 8.0657 8.3247 8.3247 11.3179 11.3179 11.3686 11.3686 11.5929 11.5929 11.6720 11.6720 k = 0.0000 0.0667 0.2200 ( 4102 PWs) bands (ev): -4.7823 -4.7823 -3.4704 -3.4704 -1.4220 -1.4220 3.7850 3.7850 5.9580 5.9580 6.2858 6.2858 6.6578 6.6578 6.8966 6.8966 7.3983 7.3983 7.6405 7.6405 7.6994 7.6994 7.8925 7.8925 8.0296 8.0296 8.3858 8.3858 11.2554 11.2554 11.3111 11.3111 11.6369 11.6369 11.7179 11.7179 k = 0.0000 0.0778 0.2200 ( 4090 PWs) bands (ev): -4.7695 -4.7695 -3.4613 -3.4613 -1.4091 -1.4091 3.7980 3.7980 5.8670 5.8670 6.2791 6.2791 6.5358 6.5358 6.8775 6.8775 7.4256 7.4256 7.6040 7.6040 7.7153 7.7153 7.9595 7.9595 7.9879 7.9879 8.4536 8.4536 11.1945 11.1945 11.2489 11.2489 11.6834 11.6834 11.7638 11.7638 k = 0.0000 0.0889 0.2200 ( 4094 PWs) bands (ev): -4.7549 -4.7549 -3.4510 -3.4510 -1.3941 -1.3941 3.8127 3.8127 5.7722 5.7722 6.2717 6.2717 6.4034 6.4034 6.8596 6.8596 7.4497 7.4497 7.5630 7.5630 7.7336 7.7336 7.9377 7.9377 8.0360 8.0360 8.5256 8.5256 11.1351 11.1351 11.1837 11.1837 11.7203 11.7203 11.7788 11.7788 k = 0.0000 0.1000 0.2200 ( 4098 PWs) bands (ev): -4.7384 -4.7384 -3.4395 -3.4395 -1.3770 -1.3770 3.8290 3.8290 5.6750 5.6750 6.2552 6.2552 6.2731 6.2731 6.8384 6.8384 7.4702 7.4702 7.5214 7.5214 7.7543 7.7543 7.8852 7.8852 8.1151 8.1151 8.6002 8.6002 11.0762 11.0762 11.1181 11.1181 11.7262 11.7262 11.8153 11.8153 k = 0.0000 0.1111 0.2200 ( 4094 PWs) bands (ev): -4.7200 -4.7200 -3.4270 -3.4270 -1.3579 -1.3579 3.8467 3.8467 5.5764 5.5764 6.1201 6.1201 6.2568 6.2568 6.8110 6.8110 7.4741 7.4741 7.4959 7.4959 7.7774 7.7774 7.8290 7.8290 8.1972 8.1972 8.6765 8.6765 11.0149 11.0149 11.0560 11.0560 11.7163 11.7163 11.8565 11.8565 k = 0.0000 0.1222 0.2200 ( 4102 PWs) bands (ev): -4.6998 -4.6998 -3.4136 -3.4136 -1.3368 -1.3368 3.8656 3.8656 5.4773 5.4773 5.9746 5.9746 6.2475 6.2475 6.7753 6.7753 7.4418 7.4418 7.5089 7.5089 7.7693 7.7693 7.8033 7.8033 8.2807 8.2807 8.7542 8.7542 10.9491 10.9491 11.0010 11.0010 11.7017 11.7017 11.8888 11.8888 k = 0.0000 0.1333 0.2200 ( 4106 PWs) bands (ev): -4.6778 -4.6778 -3.3992 -3.3992 -1.3135 -1.3135 3.8854 3.8854 5.3784 5.3784 5.8273 5.8273 6.2378 6.2378 6.7302 6.7302 7.4130 7.4130 7.5226 7.5226 7.7082 7.7082 7.8311 7.8311 8.3645 8.3645 8.8329 8.8329 10.8805 10.8805 10.9527 10.9527 11.6848 11.6848 11.9150 11.9150 k = 0.0000 0.1444 0.2200 ( 4104 PWs) bands (ev): -4.6541 -4.6541 -3.3841 -3.3841 -1.2882 -1.2882 3.9054 3.9054 5.2801 5.2801 5.6797 5.6797 6.2274 6.2274 6.6750 6.6750 7.3916 7.3916 7.5332 7.5332 7.6464 7.6464 7.8615 7.8615 8.4475 8.4475 8.9127 8.9127 10.8118 10.8118 10.9094 10.9094 11.6665 11.6665 11.9375 11.9375 k = 0.0000 0.1556 0.2200 ( 4102 PWs) bands (ev): -4.6287 -4.6287 -3.3684 -3.3684 -1.2607 -1.2607 3.9252 3.9252 5.1829 5.1829 5.5327 5.5327 6.2165 6.2165 6.6105 6.6105 7.3779 7.3779 7.5346 7.5346 7.5901 7.5901 7.8942 7.8942 8.5286 8.5286 8.9935 8.9935 10.7450 10.7450 10.8703 10.8703 11.6477 11.6477 11.9576 11.9576 k = 0.0000 0.1667 0.2200 ( 4102 PWs) bands (ev): -4.6017 -4.6017 -3.3522 -3.3522 -1.2311 -1.2311 3.9438 3.9438 5.0872 5.0872 5.3879 5.3879 6.2051 6.2051 6.5375 6.5375 7.3713 7.3713 7.4986 7.4986 7.5677 7.5677 7.9294 7.9294 8.6071 8.6071 9.0753 9.0753 10.6816 10.6816 10.8351 10.8351 11.6288 11.6288 11.9760 11.9760 k = 0.0000 0.1778 0.2200 ( 4114 PWs) bands (ev): -4.5730 -4.5730 -3.3357 -3.3357 -1.1992 -1.1992 3.9596 3.9596 4.9935 4.9935 5.2470 5.2470 6.1931 6.1931 6.4576 6.4576 7.3702 7.3702 7.4379 7.4379 7.5673 7.5673 7.9669 7.9669 8.6819 8.6819 9.1582 9.1582 10.6229 10.6229 10.8035 10.8035 11.6107 11.6107 11.9933 11.9933 k = 0.0000 0.1889 0.2200 ( 4106 PWs) bands (ev): -4.5428 -4.5428 -3.3190 -3.3190 -1.1651 -1.1651 3.9707 3.9707 4.9019 4.9019 5.1125 5.1125 6.1808 6.1808 6.3722 6.3722 7.3606 7.3606 7.3870 7.3870 7.5673 7.5673 8.0067 8.0067 8.7520 8.7520 9.2423 9.2423 10.5703 10.5703 10.7755 10.7755 11.5940 11.5940 12.0099 12.0099 k = 0.0000 0.2000 0.2200 ( 4094 PWs) bands (ev): -4.5111 -4.5111 -3.3023 -3.3023 -1.1288 -1.1288 3.9737 3.9737 4.8129 4.8129 4.9879 4.9879 6.1679 6.1679 6.2826 6.2826 7.3010 7.3010 7.3896 7.3896 7.5642 7.5642 8.0489 8.0489 8.8165 8.8165 9.3276 9.3276 10.5249 10.5249 10.7510 10.7510 11.5793 11.5793 12.0261 12.0261 k = 0.0000 0.2111 0.2200 ( 4088 PWs) bands (ev): -4.4779 -4.4779 -3.2858 -3.2858 -1.0901 -1.0901 3.9644 3.9644 4.7267 4.7267 4.8777 4.8777 6.1539 6.1539 6.1907 6.1907 7.2351 7.2351 7.4022 7.4022 7.5573 7.5573 8.0935 8.0935 8.8742 8.8742 9.4140 9.4140 10.4878 10.4878 10.7299 10.7299 11.5675 11.5675 12.0422 12.0422 k = 0.0000 0.2222 0.2200 ( 4088 PWs) bands (ev): -4.4434 -4.4434 -3.2696 -3.2696 -1.0491 -1.0491 3.9371 3.9371 4.6435 4.6435 4.7877 4.7877 6.0926 6.0926 6.1435 6.1435 7.1690 7.1690 7.4184 7.4184 7.5459 7.5459 8.1403 8.1403 8.9241 8.9241 9.5016 9.5016 10.4601 10.4601 10.7119 10.7119 11.5593 11.5593 12.0587 12.0587 k = 0.0000 0.2333 0.2200 ( 4086 PWs) bands (ev): -4.4076 -4.4076 -3.2539 -3.2539 -1.0056 -1.0056 3.8871 3.8871 4.5637 4.5637 4.7227 4.7227 5.9965 5.9965 6.1297 6.1297 7.1035 7.1035 7.4372 7.4372 7.5297 7.5297 8.1895 8.1895 8.9653 8.9653 9.5903 9.5903 10.4425 10.4425 10.6970 10.6970 11.5556 11.5556 12.0758 12.0758 k = 0.0000 0.2444 0.2200 ( 4082 PWs) bands (ev): -4.3705 -4.3705 -3.2389 -3.2389 -0.9597 -0.9597 3.8127 3.8127 4.4875 4.4875 4.6847 4.6847 5.8990 5.8990 6.1163 6.1163 7.0389 7.0389 7.4580 7.4580 7.5087 7.5087 8.2409 8.2409 8.9971 8.9971 9.6800 9.6800 10.4353 10.4353 10.6848 10.6848 11.5571 11.5571 12.0938 12.0938 k = 0.0000 0.2556 0.2200 ( 4078 PWs) bands (ev): -4.3323 -4.3323 -3.2248 -3.2248 -0.9113 -0.9113 3.7167 3.7167 4.4151 4.4151 4.6709 4.6709 5.8012 5.8012 6.1032 6.1032 6.9754 6.9754 7.4742 7.4742 7.4889 7.4889 8.2945 8.2945 9.0193 9.0193 9.7705 9.7705 10.4384 10.4384 10.6753 10.6753 11.5647 11.5647 12.1130 12.1130 k = 0.0000 0.2667 0.2200 ( 4078 PWs) bands (ev): -4.2931 -4.2931 -3.2118 -3.2118 -0.8603 -0.8603 3.6041 3.6041 4.3467 4.3467 4.6762 4.6762 5.7036 5.7036 6.0904 6.0904 6.9132 6.9132 7.4475 7.4475 7.5082 7.5082 8.3504 8.3504 9.0320 9.0320 9.8617 9.8617 10.4512 10.4512 10.6680 10.6680 11.5791 11.5791 12.1336 12.1336 k = 0.0000 0.2778 0.2200 ( 4074 PWs) bands (ev): -4.2529 -4.2529 -3.2001 -3.2001 -0.8067 -0.8067 3.4802 3.4802 4.2825 4.2825 4.6954 4.6954 5.6069 5.6069 6.0779 6.0779 6.8525 6.8525 7.4102 7.4102 7.5343 7.5343 8.4085 8.4085 9.0358 9.0358 9.9533 9.9533 10.4726 10.4726 10.6626 10.6626 11.6009 11.6009 12.1560 12.1560 k = 0.0000 0.2889 0.2200 ( 4082 PWs) bands (ev): -4.2117 -4.2117 -3.1899 -3.1899 -0.7505 -0.7505 3.3489 3.3489 4.2226 4.2226 4.7243 4.7243 5.5116 5.5116 6.0659 6.0659 6.7934 6.7934 7.3674 7.3674 7.5621 7.5621 8.4687 8.4687 9.0312 9.0312 10.0450 10.0450 10.5011 10.5011 10.6587 10.6587 11.6307 11.6307 12.1804 12.1804 k = 0.0000 0.3000 0.2200 ( 4074 PWs) bands (ev): -4.1698 -4.1698 -3.1813 -3.1813 -0.6915 -0.6915 3.2130 3.2130 4.1674 4.1674 4.7596 4.7596 5.4188 5.4188 6.0545 6.0545 6.7360 6.7360 7.3195 7.3195 7.5913 7.5913 8.5310 8.5310 9.0194 9.0194 10.1366 10.1366 10.5352 10.5352 10.6559 10.6559 11.6688 11.6688 12.2069 12.2069 k = 0.0000 0.3111 0.2200 ( 4070 PWs) bands (ev): -4.1272 -4.1272 -3.1745 -3.1745 -0.6298 -0.6298 3.0745 3.0745 4.1169 4.1169 4.7983 4.7983 5.3296 5.3296 6.0437 6.0437 6.6804 6.6804 7.2669 7.2669 7.6218 7.6218 8.5954 8.5954 9.0013 9.0013 10.2276 10.2276 10.5728 10.5728 10.6541 10.6541 11.7152 11.7152 12.2357 12.2357 k = 0.0000 0.3222 0.2200 ( 4074 PWs) bands (ev): -4.0840 -4.0840 -3.1697 -3.1697 -0.5653 -0.5653 2.9347 2.9347 4.0712 4.0712 4.8369 4.8369 5.2470 5.2470 6.0338 6.0338 6.6267 6.6267 7.2099 7.2099 7.6534 7.6534 8.6617 8.6617 8.9778 8.9778 10.3176 10.3176 10.6103 10.6103 10.6548 10.6548 11.7699 11.7699 12.2658 12.2658 k = 0.0000 0.3333 0.2200 ( 4062 PWs) bands (ev): -4.0403 -4.0403 -3.1670 -3.1670 -0.4979 -0.4979 2.7944 2.7944 4.0306 4.0306 4.8681 4.8681 5.1771 5.1771 6.0248 6.0248 6.5750 6.5750 7.1489 7.1489 7.6862 7.6862 8.7299 8.7299 8.9499 8.9499 10.4060 10.4060 10.6319 10.6319 10.6720 10.6720 11.8323 11.8323 12.2635 12.2636 k = 0.0000 0.3444 0.2200 ( 4066 PWs) bands (ev): -3.9963 -3.9963 -3.1665 -3.1665 -0.4276 -0.4276 2.6543 2.6543 3.9951 3.9951 4.8775 4.8775 5.1345 5.1345 6.0168 6.0168 6.5254 6.5254 7.0844 7.0844 7.7201 7.7201 8.7994 8.7994 8.9186 8.9186 10.4921 10.4921 10.6307 10.6307 10.7110 10.7110 11.9017 11.9017 12.2036 12.2037 k = 0.0000 0.3556 0.2200 ( 4058 PWs) bands (ev): -3.9520 -3.9520 -3.1684 -3.1684 -0.3544 -0.3544 2.5149 2.5149 3.9649 3.9649 4.8496 4.8496 5.1341 5.1341 6.0099 6.0099 6.4778 6.4778 7.0167 7.0167 7.7550 7.7550 8.8616 8.8616 8.8933 8.8933 10.5739 10.5739 10.6235 10.6235 10.7546 10.7546 11.9767 11.9767 12.1453 12.1453 k = 0.0000 0.3667 0.2200 ( 4064 PWs) bands (ev): -3.9076 -3.9076 -3.1727 -3.1727 -0.2783 -0.2783 2.3765 2.3765 3.9399 3.9399 4.7928 4.7928 5.1675 5.1675 6.0043 6.0043 6.4325 6.4325 6.9464 6.9464 7.7909 7.7909 8.8406 8.8406 8.9502 8.9502 10.6026 10.6026 10.6606 10.6606 10.7990 10.7990 12.0490 12.0490 12.0999 12.0999 k = 0.0000 0.3778 0.2200 ( 4068 PWs) bands (ev): -3.8633 -3.8633 -3.1795 -3.1795 -0.1993 -0.1993 2.2394 2.2394 3.9203 3.9203 4.7238 4.7238 5.2179 5.2179 6.0000 6.0000 6.3893 6.3893 6.8737 6.8737 7.8278 7.8278 8.8011 8.8011 9.0249 9.0249 10.5835 10.5835 10.7357 10.7357 10.8431 10.8431 12.0362 12.0362 12.1505 12.1505 k = 0.0000 0.3889 0.2200 ( 4066 PWs) bands (ev): -3.8190 -3.8190 -3.1889 -3.1889 -0.1173 -0.1173 2.1039 2.1039 3.9062 3.9062 4.6513 4.6513 5.2767 5.2767 5.9972 5.9972 6.3484 6.3484 6.7990 6.7990 7.8657 7.8657 8.7590 8.7590 9.1020 9.1020 10.5564 10.5564 10.8075 10.8075 10.8863 10.8863 11.9991 11.9991 12.2362 12.2362 k = 0.0000 0.4000 0.2200 ( 4066 PWs) bands (ev): -3.7751 -3.7751 -3.2008 -3.2008 -0.0323 -0.0323 1.9700 1.9700 3.8974 3.8974 4.5786 4.5786 5.3404 5.3404 5.9959 5.9959 6.3097 6.3097 6.7228 6.7228 7.9046 7.9046 8.7151 8.7151 9.1808 9.1808 10.5218 10.5218 10.8742 10.8742 10.9283 10.9283 11.9696 11.9696 12.3245 12.3245 k = 0.0000 0.4111 0.2200 ( 4066 PWs) bands (ev): -3.7316 -3.7316 -3.2152 -3.2152 0.0556 0.0556 1.8381 1.8381 3.8940 3.8940 4.5074 4.5074 5.4074 5.4074 5.9962 5.9962 6.2733 6.2733 6.6452 6.6452 7.9444 7.9444 8.6699 8.6699 9.2610 9.2610 10.4795 10.4795 10.9352 10.9352 10.9686 10.9686 11.9496 11.9496 12.4119 12.4119 k = 0.0000 0.4222 0.2200 ( 4064 PWs) bands (ev): -3.6887 -3.6887 -3.2323 -3.2323 0.1464 0.1464 1.7081 1.7081 3.8961 3.8961 4.4386 4.4386 5.4770 5.4770 5.9983 5.9983 6.2392 6.2392 6.5666 6.5666 7.9851 7.9851 8.6238 8.6238 9.3426 9.3426 10.4296 10.4296 10.9895 10.9895 11.0067 11.0067 11.9393 11.9393 12.4305 12.4305 k = 0.0000 0.4333 0.2200 ( 4064 PWs) bands (ev): -3.6465 -3.6465 -3.2518 -3.2518 0.2402 0.2402 1.5803 1.5803 3.9035 3.9035 4.3728 4.3728 5.5486 5.5486 6.0021 6.0021 6.2074 6.2074 6.4874 6.4874 8.0268 8.0268 8.5770 8.5770 9.4252 9.4252 10.3727 10.3727 11.0366 11.0366 11.0424 11.0424 11.9386 11.9386 12.3797 12.3797 k = 0.0000 0.4444 0.2200 ( 4064 PWs) bands (ev): -3.6052 -3.6052 -3.2738 -3.2738 0.3369 0.3369 1.4546 1.4546 3.9162 3.9162 4.3102 4.3102 5.6218 5.6218 6.0078 6.0078 6.1779 6.1779 6.4076 6.4076 8.0693 8.0693 8.5297 8.5297 9.5087 9.5087 10.3095 10.3095 11.0730 11.0730 11.0780 11.0780 11.9467 11.9467 12.3283 12.3283 k = 0.0000 0.4556 0.2200 ( 4068 PWs) bands (ev): -3.5649 -3.5649 -3.2981 -3.2981 0.4365 0.4365 1.3313 1.3313 3.9341 3.9341 4.2512 4.2512 5.6965 5.6965 6.0155 6.0155 6.1505 6.1505 6.3277 6.3277 8.1127 8.1127 8.4823 8.4823 9.5928 9.5928 10.2407 10.2407 11.1013 11.1013 11.1099 11.1099 11.9629 11.9629 12.2772 12.2772 k = 0.0000 0.4667 0.2200 ( 4074 PWs) bands (ev): -3.5258 -3.5258 -3.3248 -3.3248 0.5389 0.5389 1.2104 1.2104 3.9572 3.9572 4.1961 4.1961 5.7724 5.7724 6.0252 6.0252 6.1253 6.1253 6.2479 6.2479 8.1568 8.1568 8.4347 8.4347 9.6773 9.6773 10.1675 10.1675 11.1247 11.1247 11.1343 11.1343 11.9862 11.9862 12.2272 12.2272 k = 0.0000 0.4778 0.2200 ( 4062 PWs) bands (ev): -3.4881 -3.4881 -3.3536 -3.3536 0.6441 0.6441 1.0919 1.0919 3.9853 3.9853 4.1451 4.1451 5.8493 5.8493 6.0371 6.0371 6.1015 6.1015 6.1690 6.1690 8.2017 8.2017 8.3874 8.3874 9.7617 9.7617 10.0905 10.0905 11.1429 11.1429 11.1508 11.1508 12.0158 12.0158 12.1790 12.1790 k = 0.0000 0.4889 0.2200 ( 4062 PWs) bands (ev): -3.4519 -3.4519 -3.3845 -3.3845 0.7520 0.7520 0.9760 0.9760 4.0182 4.0182 4.0983 4.0983 5.9268 5.9268 6.0513 6.0513 6.0720 6.0720 6.0984 6.0984 8.2473 8.2473 8.3403 8.3403 9.8458 9.8458 10.0108 10.0108 11.1551 11.1551 11.1595 11.1595 12.0507 12.0507 12.1330 12.1330 k = 0.0000 0.5000 0.2200 ( 4064 PWs) bands (ev): -3.4173 -3.4173 -3.4173 -3.4173 0.8627 0.8627 0.8627 0.8627 4.0560 4.0560 4.0560 4.0560 6.0042 6.0042 6.0042 6.0042 6.0686 6.0686 6.0686 6.0686 8.2935 8.2935 8.2935 8.2935 9.9290 9.9290 9.9290 9.9290 11.1608 11.1608 11.1608 11.1608 12.0900 12.0900 12.0900 12.0900 k = 0.0000 0.5000 0.2200 ( 4064 PWs) bands (ev): -3.4173 -3.4173 -3.4173 -3.4173 0.8627 0.8627 0.8627 0.8627 4.0560 4.0560 4.0560 4.0560 6.0042 6.0042 6.0042 6.0042 6.0686 6.0686 6.0686 6.0686 8.2935 8.2935 8.2935 8.2935 9.9290 9.9290 9.9290 9.9290 11.1608 11.1608 11.1608 11.1608 12.0900 12.0900 12.0900 12.0900 k = 0.0111 0.5000 0.2200 ( 4064 PWs) bands (ev): -3.4171 -3.4171 -3.4171 -3.4171 0.8638 0.8638 0.8643 0.8643 4.0557 4.0557 4.0571 4.0571 5.9786 5.9786 5.9990 5.9990 6.0737 6.0737 6.0944 6.0944 8.2916 8.2916 8.2918 8.2918 9.9135 9.9135 9.9152 9.9152 11.1703 11.1703 11.1724 11.1724 12.0843 12.0843 12.0850 12.0850 k = 0.0222 0.5000 0.2200 ( 4064 PWs) bands (ev): -3.4167 -3.4167 -3.4167 -3.4167 0.8675 0.8675 0.8686 0.8686 4.0562 4.0562 4.0591 4.0591 5.9457 5.9457 5.9701 5.9701 6.1026 6.1026 6.1278 6.1278 8.2858 8.2858 8.2864 8.2864 9.8707 9.8707 9.8736 9.8736 11.1992 11.1992 11.2025 11.2025 12.0695 12.0695 12.0704 12.0704 k = 0.0333 0.5000 0.2200 ( 4060 PWs) bands (ev): -3.4160 -3.4160 -3.4159 -3.4159 0.8740 0.8740 0.8755 0.8755 4.0576 4.0576 4.0620 4.0620 5.9116 5.9116 5.9368 5.9368 6.1360 6.1360 6.1625 6.1625 8.2763 8.2763 8.2772 8.2772 9.8050 9.8050 9.8086 9.8086 11.2420 11.2420 11.2451 11.2451 12.0499 12.0499 12.0500 12.0500 k = 0.0444 0.5000 0.2200 ( 4064 PWs) bands (ev): -3.4150 -3.4150 -3.4149 -3.4149 0.8831 0.8831 0.8852 0.8852 4.0597 4.0597 4.0655 4.0655 5.8778 5.8778 5.9032 5.9032 6.1699 6.1699 6.1970 6.1970 8.2628 8.2628 8.2642 8.2642 9.7217 9.7217 9.7252 9.7252 11.2915 11.2915 11.2925 11.2925 12.0293 12.0293 12.0315 12.0315 k = 0.0556 0.5000 0.2200 ( 4068 PWs) bands (ev): -3.4137 -3.4137 -3.4136 -3.4136 0.8949 0.8949 0.8975 0.8975 4.0625 4.0625 4.0696 4.0696 5.8450 5.8450 5.8704 5.8704 6.2034 6.2034 6.2308 6.2308 8.2453 8.2453 8.2471 8.2471 9.6254 9.6254 9.6283 9.6283 11.3363 11.3363 11.3396 11.3396 12.0149 12.0149 12.0213 12.0213 k = 0.0667 0.5000 0.2200 ( 4072 PWs) bands (ev): -3.4122 -3.4122 -3.4120 -3.4120 0.9094 0.9094 0.9125 0.9125 4.0657 4.0657 4.0741 4.0741 5.8136 5.8136 5.8388 5.8388 6.2359 6.2359 6.2636 6.2636 8.2234 8.2234 8.2259 8.2259 9.5200 9.5200 9.5218 9.5218 11.3688 11.3688 11.3784 11.3784 12.0141 12.0141 12.0263 12.0263 k = 0.0778 0.5000 0.2200 ( 4076 PWs) bands (ev): -3.4104 -3.4104 -3.4102 -3.4102 0.9265 0.9265 0.9301 0.9301 4.0692 4.0692 4.0788 4.0788 5.7841 5.7841 5.8090 5.8090 6.2672 6.2672 6.2951 6.2951 8.1969 8.1969 8.2003 8.2003 9.4085 9.4085 9.4088 9.4088 11.3852 11.3852 11.4021 11.4021 12.0323 12.0323 12.0510 12.0510 k = 0.0889 0.5000 0.2200 ( 4080 PWs) bands (ev): -3.4083 -3.4083 -3.4081 -3.4081 0.9464 0.9464 0.9504 0.9504 4.0728 4.0728 4.0835 4.0835 5.7567 5.7567 5.7813 5.7813 6.2968 6.2968 6.3250 6.3250 8.1654 8.1654 8.1699 8.1699 9.2918 9.2918 9.2933 9.2933 11.3852 11.3852 11.4088 11.4088 12.0709 12.0709 12.0954 12.0954 k = 0.1000 0.5000 0.2200 ( 4084 PWs) bands (ev): -3.4060 -3.4060 -3.4058 -3.4058 0.9688 0.9688 0.9734 0.9734 4.0762 4.0762 4.0880 4.0880 5.7319 5.7319 5.7561 5.7561 6.3246 6.3246 6.3530 6.3530 8.1286 8.1286 8.1344 8.1344 9.1727 9.1727 9.1763 9.1763 11.3725 11.3725 11.4015 11.4015 12.1269 12.1269 12.1558 12.1558 k = 0.1111 0.5000 0.2200 ( 4076 PWs) bands (ev): -3.4035 -3.4035 -3.4033 -3.4033 0.9939 0.9939 0.9989 0.9989 4.0793 4.0793 4.0921 4.0921 5.7099 5.7099 5.7337 5.7337 6.3503 6.3503 6.3789 6.3789 8.0859 8.0859 8.0932 8.0932 9.0535 9.0535 9.0595 9.0595 11.3520 11.3520 11.3850 11.3850 12.1952 12.1952 12.2269 12.2269 k = 0.1222 0.5000 0.2200 ( 4068 PWs) bands (ev): -3.4007 -3.4007 -3.4005 -3.4005 1.0217 1.0217 1.0272 1.0272 4.0818 4.0818 4.0953 4.0953 5.6911 5.6911 5.7143 5.7143 6.3737 6.3737 6.4025 6.4025 8.0367 8.0367 8.0459 8.0459 8.9359 8.9359 8.9446 8.9446 11.3280 11.3280 11.3639 11.3639 12.2709 12.2709 12.3041 12.3041 k = 0.1333 0.5000 0.2200 ( 4060 PWs) bands (ev): -3.3978 -3.3978 -3.3975 -3.3975 1.0520 1.0520 1.0580 1.0580 4.0834 4.0834 4.0977 4.0977 5.6757 5.6757 5.6983 5.6983 6.3944 6.3944 6.4234 6.4234 7.9805 7.9805 7.9917 7.9917 8.8216 8.8216 8.8331 8.8331 11.3037 11.3037 11.3419 11.3419 12.3501 12.3501 12.3840 12.3840 k = 0.1444 0.5000 0.2200 ( 4056 PWs) bands (ev): -3.3946 -3.3946 -3.3944 -3.3944 1.0850 1.0850 1.0914 1.0914 4.0840 4.0840 4.0988 4.0988 5.6640 5.6640 5.6858 5.6858 6.4121 6.4121 6.4413 6.4413 7.9167 7.9167 7.9300 7.9300 8.7123 8.7123 8.7267 8.7267 11.2812 11.2812 11.3211 11.3211 12.4301 12.4301 12.4641 12.4641 k = 0.1556 0.5000 0.2200 ( 4056 PWs) bands (ev): -3.3913 -3.3913 -3.3911 -3.3911 1.1206 1.1206 1.1274 1.1274 4.0833 4.0833 4.0984 4.0984 5.6560 5.6560 5.6770 5.6770 6.4264 6.4264 6.4558 6.4558 7.8449 7.8449 7.8604 7.8604 8.6096 8.6096 8.6269 8.6269 11.2619 11.2619 11.3031 11.3031 12.5089 12.5089 12.5425 12.5425 k = 0.1667 0.5000 0.2200 ( 4060 PWs) bands (ev): -3.3878 -3.3878 -3.3876 -3.3876 1.1588 1.1588 1.1660 1.1660 4.0812 4.0812 4.0966 4.0966 5.6519 5.6519 5.6719 5.6719 6.4369 6.4369 6.4666 6.4666 7.7654 7.7654 7.7827 7.7827 8.5146 8.5146 8.5345 8.5345 11.2464 11.2464 11.2889 11.2889 12.5851 12.5851 12.6180 12.6180 k = 0.1778 0.5000 0.2200 ( 4060 PWs) bands (ev): -3.3842 -3.3842 -3.3840 -3.3840 1.1995 1.1995 1.2071 1.2071 4.0776 4.0776 4.0930 4.0930 5.6516 5.6516 5.6707 5.6707 6.4431 6.4431 6.4730 6.4730 7.6789 7.6789 7.6976 7.6976 8.4282 8.4282 8.4502 8.4502 11.2354 11.2354 11.2788 11.2788 12.6573 12.6573 12.6895 12.6895 k = 0.1889 0.5000 0.2200 ( 4064 PWs) bands (ev): -3.3805 -3.3805 -3.3803 -3.3803 1.2428 1.2428 1.2508 1.2508 4.0724 4.0724 4.0877 4.0877 5.6550 5.6550 5.6730 5.6730 6.4442 6.4442 6.4744 6.4744 7.5868 7.5868 7.6063 7.6063 8.3505 8.3505 8.3739 8.3739 11.2291 11.2291 11.2733 11.2733 12.7243 12.7243 12.7560 12.7560 k = 0.2000 0.5000 0.2200 ( 4076 PWs) bands (ev): -3.3767 -3.3767 -3.3765 -3.3765 1.2886 1.2886 1.2970 1.2970 4.0657 4.0657 4.0808 4.0808 5.6619 5.6619 5.6787 5.6787 6.4394 6.4394 6.4699 6.4699 7.4910 7.4910 7.5108 7.5108 8.2810 8.2810 8.3054 8.3054 11.2273 11.2273 11.2722 11.2722 12.7833 12.7833 12.8152 12.8152 k = 0.2111 0.5000 0.2200 ( 4072 PWs) bands (ev): -3.3728 -3.3728 -3.3726 -3.3726 1.3369 1.3369 1.3456 1.3456 4.0574 4.0574 4.0721 4.0721 5.6717 5.6717 5.6875 5.6875 6.4276 6.4276 6.4587 6.4587 7.3942 7.3942 7.4136 7.4136 8.2192 8.2192 8.2439 8.2439 11.2302 11.2302 11.2756 11.2756 12.8266 12.8266 12.8609 12.8609 k = 0.2222 0.5000 0.2200 ( 4072 PWs) bands (ev): -3.3689 -3.3689 -3.3686 -3.3686 1.3877 1.3877 1.3968 1.3968 4.0477 4.0477 4.0619 4.0619 5.6840 5.6840 5.6987 5.6987 6.4076 6.4076 6.4394 6.4394 7.2990 7.2990 7.3177 7.3177 8.1643 8.1643 8.1890 8.1890 11.2373 11.2373 11.2831 11.2831 12.8449 12.8449 12.8823 12.8823 k = 0.2333 0.5000 0.2200 ( 4068 PWs) bands (ev): -3.3649 -3.3649 -3.3647 -3.3647 1.4409 1.4409 1.4503 1.4503 4.0367 4.0367 4.0503 4.0503 5.6978 5.6978 5.7116 5.7116 6.3783 6.3783 6.4110 6.4110 7.2084 7.2084 7.2258 7.2258 8.1156 8.1156 8.1400 8.1400 11.2486 11.2486 11.2946 11.2946 12.8471 12.8471 12.8853 12.8853 k = 0.2444 0.5000 0.2200 ( 4084 PWs) bands (ev): -3.3609 -3.3609 -3.3607 -3.3607 1.4966 1.4966 1.5063 1.5063 4.0246 4.0246 4.0375 4.0375 5.7120 5.7120 5.7249 5.7249 6.3389 6.3389 6.3726 6.3726 7.1248 7.1248 7.1408 7.1408 8.0728 8.0728 8.0965 8.0965 11.2634 11.2634 11.3096 11.3096 12.8441 12.8441 12.8820 12.8820 k = 0.2556 0.5000 0.2200 ( 4088 PWs) bands (ev): -3.3569 -3.3569 -3.3567 -3.3567 1.5547 1.5547 1.5646 1.5646 4.0115 4.0115 4.0237 4.0237 5.7249 5.7249 5.7371 5.7371 6.2897 6.2897 6.3246 6.3246 7.0503 7.0503 7.0646 7.0646 8.0354 8.0354 8.0583 8.0583 11.2816 11.2816 11.3278 11.3278 12.8396 12.8396 12.8766 12.8766 k = 0.2667 0.5000 0.2200 ( 4084 PWs) bands (ev): -3.3529 -3.3529 -3.3527 -3.3527 1.6151 1.6151 1.6253 1.6253 3.9976 3.9976 4.0091 4.0091 5.7336 5.7336 5.7451 5.7451 6.2330 6.2330 6.2690 6.2690 6.9858 6.9858 6.9983 6.9983 8.0032 8.0032 8.0252 8.0252 11.3026 11.3026 11.3486 11.3486 12.8349 12.8349 12.8708 12.8708 k = 0.2778 0.5000 0.2200 ( 4088 PWs) bands (ev): -3.3490 -3.3490 -3.3488 -3.3488 1.6778 1.6778 1.6883 1.6883 3.9832 3.9832 3.9939 3.9939 5.7337 5.7337 5.7442 5.7442 6.1743 6.1743 6.2109 6.2109 6.9307 6.9307 6.9415 6.9415 7.9760 7.9760 7.9970 7.9970 11.3258 11.3258 11.3716 11.3716 12.8307 12.8307 12.8650 12.8650 k = 0.2889 0.5000 0.2200 ( 4088 PWs) bands (ev): -3.3451 -3.3451 -3.3449 -3.3449 1.7428 1.7428 1.7535 1.7535 3.9685 3.9685 3.9783 3.9783 5.7187 5.7187 5.7270 5.7270 6.1223 6.1223 6.1582 6.1582 6.8840 6.8840 6.8931 6.8931 7.9537 7.9537 7.9737 7.9737 11.3508 11.3508 11.3960 11.3960 12.8274 12.8274 12.8596 12.8596 k = 0.3000 0.5000 0.2200 ( 4084 PWs) bands (ev): -3.3413 -3.3413 -3.3411 -3.3411 1.8099 1.8099 1.8209 1.8209 3.9536 3.9536 3.9626 3.9626 5.6816 5.6816 5.6859 5.6859 6.0866 6.0866 6.1196 6.1196 6.8439 6.8439 6.8514 6.8514 7.9362 7.9362 7.9550 7.9550 11.3770 11.3770 11.4214 11.4214 12.8253 12.8253 12.8552 12.8552 k = 0.3111 0.5000 0.2200 ( 4076 PWs) bands (ev): -3.3376 -3.3376 -3.3374 -3.3374 1.8792 1.8792 1.8903 1.8903 3.9387 3.9387 3.9469 3.9469 5.6188 5.6188 5.6196 5.6196 6.0708 6.0708 6.0998 6.0998 6.8088 6.8088 6.8147 6.8147 7.9234 7.9234 7.9410 7.9410 11.4036 11.4036 11.4469 11.4469 12.8248 12.8248 12.8519 12.8519 k = 0.3222 0.5000 0.2200 ( 4080 PWs) bands (ev): -3.3341 -3.3341 -3.3339 -3.3339 1.9506 1.9506 1.9618 1.9618 3.9241 3.9241 3.9314 3.9314 5.5310 5.5310 5.5365 5.5365 6.0711 6.0711 6.0964 6.0964 6.7775 6.7775 6.7818 6.7818 7.9149 7.9149 7.9313 7.9313 11.4300 11.4300 11.4720 11.4720 12.8265 12.8265 12.8505 12.8505 k = 0.3333 0.5000 0.2200 ( 4080 PWs) bands (ev): -3.3306 -3.3306 -3.3304 -3.3304 2.0238 2.0238 2.0352 2.0352 3.9099 3.9099 3.9163 3.9163 5.4299 5.4299 5.4388 5.4388 6.0814 6.0814 6.1041 6.1041 6.7489 6.7489 6.7516 6.7516 7.9106 7.9106 7.9258 7.9258 11.4556 11.4556 11.4959 11.4959 12.8308 12.8308 12.8512 12.8512 k = 0.3444 0.5000 0.2200 ( 4080 PWs) bands (ev): -3.3273 -3.3273 -3.3271 -3.3271 2.0989 2.0989 2.1104 2.1104 3.8962 3.8962 3.9018 3.9018 5.3208 5.3208 5.3322 5.3322 6.0972 6.0972 6.1181 6.1181 6.7223 6.7223 6.7237 6.7237 7.9101 7.9101 7.9241 7.9241 11.4796 11.4796 11.5179 11.5179 12.8384 12.8384 12.8548 12.8548 k = 0.3556 0.5000 0.2200 ( 4076 PWs) bands (ev): -3.3242 -3.3242 -3.3240 -3.3240 2.1757 2.1757 2.1872 2.1872 3.8833 3.8833 3.8879 3.8879 5.2073 5.2073 5.2203 5.2203 6.1156 6.1156 6.1354 6.1354 6.6975 6.6975 6.6975 6.6975 7.9131 7.9131 7.9259 7.9259 11.5014 11.5014 11.5373 11.5373 12.8498 12.8498 12.8619 12.8619 k = 0.3667 0.5000 0.2200 ( 4068 PWs) bands (ev): -3.3212 -3.3212 -3.3210 -3.3210 2.2539 2.2539 2.2654 2.2654 3.8712 3.8712 3.8749 3.8749 5.0914 5.0914 5.1057 5.1057 6.1351 6.1351 6.1541 6.1541 6.6728 6.6728 6.6742 6.6742 7.9191 7.9191 7.9307 7.9307 11.5206 11.5206 11.5537 11.5537 12.8655 12.8655 12.8729 12.8729 k = 0.3778 0.5000 0.2200 ( 4056 PWs) bands (ev): -3.3184 -3.3184 -3.3182 -3.3182 2.3334 2.3334 2.3448 2.3448 3.8601 3.8601 3.8628 3.8628 4.9748 4.9748 4.9899 4.9899 6.1546 6.1546 6.1729 6.1729 6.6497 6.6497 6.6523 6.6523 7.9276 7.9276 7.9382 7.9382 11.5365 11.5365 11.5668 11.5668 12.8857 12.8857 12.8883 12.8883 k = 0.3889 0.5000 0.2200 ( 4052 PWs) bands (ev): -3.3158 -3.3158 -3.3157 -3.3157 2.4138 2.4138 2.4251 2.4251 3.8502 3.8502 3.8519 3.8519 4.8587 4.8587 4.8744 4.8744 6.1733 6.1733 6.1910 6.1910 6.6282 6.6282 6.6319 6.6319 7.9382 7.9382 7.9477 7.9477 11.5492 11.5492 11.5764 11.5764 12.9085 12.9085 12.9106 12.9106 k = 0.4000 0.5000 0.2200 ( 4052 PWs) bands (ev): -3.3134 -3.3134 -3.3133 -3.3133 2.4947 2.4947 2.5057 2.5057 3.8416 3.8416 3.8422 3.8422 4.7439 4.7439 4.7601 4.7601 6.1910 6.1910 6.2080 6.2080 6.6083 6.6083 6.6128 6.6128 7.9502 7.9502 7.9586 7.9586 11.5585 11.5585 11.5825 11.5825 12.9334 12.9334 12.9403 12.9403 k = 0.4111 0.5000 0.2200 ( 4048 PWs) bands (ev): -3.3113 -3.3113 -3.3112 -3.3112 2.5755 2.5755 2.5862 2.5862 3.8340 3.8340 3.8345 3.8345 4.6314 4.6314 4.6478 4.6478 6.2073 6.2073 6.2235 6.2235 6.5901 6.5901 6.5953 6.5953 7.9631 7.9631 7.9705 7.9705 11.5647 11.5647 11.5855 11.5855 12.9628 12.9628 12.9741 12.9741 k = 0.4222 0.5000 0.2200 ( 4052 PWs) bands (ev): -3.3094 -3.3094 -3.3093 -3.3093 2.6554 2.6554 2.6657 2.6657 3.8276 3.8276 3.8291 3.8291 4.5221 4.5221 4.5387 4.5387 6.2221 6.2221 6.2372 6.2372 6.5739 6.5739 6.5794 6.5794 7.9764 7.9764 7.9828 7.9828 11.5681 11.5681 11.5858 11.5858 12.9963 12.9963 13.0115 13.0115 k = 0.4333 0.5000 0.2200 ( 4052 PWs) bands (ev): -3.3077 -3.3077 -3.3076 -3.3076 2.7334 2.7334 2.7431 2.7431 3.8231 3.8231 3.8259 3.8259 4.4171 4.4171 4.4337 4.4337 6.2352 6.2352 6.2491 6.2491 6.5596 6.5596 6.5653 6.5653 7.9893 7.9893 7.9947 7.9947 11.5694 11.5694 11.5841 11.5841 13.0330 13.0330 13.0513 13.0513 k = 0.4444 0.5000 0.2200 ( 4052 PWs) bands (ev): -3.3063 -3.3063 -3.3062 -3.3062 2.8079 2.8079 2.8167 2.8167 3.8211 3.8211 3.8252 3.8252 4.3177 4.3177 4.3341 4.3341 6.2466 6.2466 6.2589 6.2589 6.5475 6.5475 6.5529 6.5529 8.0014 8.0014 8.0059 8.0059 11.5691 11.5691 11.5810 11.5810 13.0717 13.0717 13.0921 13.0921 k = 0.4556 0.5000 0.2200 ( 4060 PWs) bands (ev): -3.3051 -3.3051 -3.3050 -3.3050 2.8767 2.8767 2.8845 2.8845 3.8223 3.8223 3.8276 3.8276 4.2258 4.2258 4.2417 4.2417 6.2562 6.2562 6.2666 6.2666 6.5376 6.5376 6.5425 6.5425 8.0121 8.0121 8.0157 8.0157 11.5679 11.5679 11.5772 11.5772 13.1107 13.1107 13.1318 13.1319 k = 0.4667 0.5000 0.2200 ( 4064 PWs) bands (ev): -3.3041 -3.3041 -3.3041 -3.3041 2.9371 2.9371 2.9434 2.9434 3.8271 3.8271 3.8335 3.8335 4.1440 4.1440 4.1588 4.1588 6.2641 6.2641 6.2723 6.2723 6.5300 6.5300 6.5341 6.5341 8.0210 8.0210 8.0237 8.0237 11.5664 11.5664 11.5733 11.5733 13.1478 13.1478 13.1677 13.1677 k = 0.4778 0.5000 0.2200 ( 4076 PWs) bands (ev): -3.3035 -3.3035 -3.3035 -3.3035 2.9852 2.9852 2.9898 2.9898 3.8362 3.8362 3.8429 3.8429 4.0763 4.0763 4.0889 4.0889 6.2702 6.2702 6.2759 6.2759 6.5248 6.5248 6.5277 6.5277 8.0278 8.0278 8.0296 8.0296 11.5653 11.5653 11.5697 11.5697 13.1802 13.1802 13.1962 13.1962 k = 0.4889 0.5000 0.2200 ( 4084 PWs) bands (ev): -3.3031 -3.3031 -3.3031 -3.3031 3.0170 3.0170 3.0193 3.0193 3.8479 3.8479 3.8530 3.8530 4.0295 4.0295 4.0376 4.0376 6.2745 6.2745 6.2774 6.2774 6.5221 6.5221 6.5236 6.5236 8.0322 8.0322 8.0331 8.0331 11.5648 11.5648 11.5670 11.5670 13.2043 13.2043 13.2133 13.2133 k = 0.5000 0.5000 0.2200 ( 4080 PWs) bands (ev): -3.3029 -3.3029 -3.3029 -3.3029 3.0288 3.0288 3.0288 3.0288 3.8560 3.8560 3.8560 3.8560 4.0148 4.0148 4.0148 4.0148 6.2769 6.2769 6.2769 6.2769 6.5217 6.5217 6.5217 6.5217 8.0340 8.0340 8.0340 8.0340 11.5654 11.5654 11.5654 11.5654 13.2161 13.2161 13.2161 13.2161 k = 0.5000 0.5000 0.2200 ( 4080 PWs) bands (ev): -3.3029 -3.3029 -3.3029 -3.3029 3.0288 3.0288 3.0288 3.0288 3.8560 3.8560 3.8560 3.8560 4.0148 4.0148 4.0148 4.0148 6.2769 6.2769 6.2769 6.2769 6.5217 6.5217 6.5217 6.5217 8.0340 8.0340 8.0340 8.0340 11.5654 11.5654 11.5654 11.5654 13.2161 13.2161 13.2161 13.2161 k = 0.4921 0.4921 0.2200 ( 4076 PWs) bands (ev): -3.3037 -3.3037 -3.3025 -3.3025 3.0060 3.0060 3.0302 3.0302 3.8428 3.8428 3.8575 3.8575 4.0279 4.0279 4.0401 4.0401 6.2740 6.2740 6.2779 6.2779 6.5219 6.5219 6.5238 6.5238 8.0308 8.0308 8.0345 8.0345 11.5648 11.5648 11.5671 11.5671 13.2038 13.2038 13.2135 13.2135 k = 0.4841 0.4841 0.2200 ( 4080 PWs) bands (ev): -3.3058 -3.3058 -3.3012 -3.3012 2.9433 2.9433 3.0341 3.0341 3.8133 3.8133 3.8598 3.8598 4.0637 4.0637 4.1054 4.1054 6.2669 6.2669 6.2790 6.2790 6.5239 6.5239 6.5289 6.5289 8.0214 8.0214 8.0358 8.0358 11.5652 11.5652 11.5699 11.5699 13.1779 13.1779 13.1974 13.1974 k = 0.4762 0.4762 0.2200 ( 4060 PWs) bands (ev): -3.3094 -3.3094 -3.2990 -3.2990 2.8525 2.8525 3.0407 3.0407 3.7778 3.7778 3.8639 3.8639 4.1089 4.1089 4.2012 4.2012 6.2554 6.2554 6.2807 6.2807 6.5272 6.5272 6.5374 6.5374 8.0061 8.0061 8.0381 8.0381 11.5663 11.5663 11.5737 11.5737 13.1420 13.1420 13.1713 13.1713 k = 0.4683 0.4683 0.2200 ( 4056 PWs) bands (ev): -3.3144 -3.3144 -3.2959 -3.2959 2.7443 2.7443 3.0498 3.0498 3.7413 3.7413 3.8695 3.8695 4.1586 4.1586 4.3168 4.3168 6.2394 6.2394 6.2831 6.2831 6.5316 6.5316 6.5494 6.5494 7.9855 7.9855 8.0413 8.0413 11.5675 11.5675 11.5781 11.5781 13.1005 13.1005 13.1387 13.1387 k = 0.4603 0.4603 0.2200 ( 4056 PWs) bands (ev): -3.3209 -3.3209 -3.2920 -3.2920 2.6258 2.6258 3.0616 3.0616 3.7059 3.7059 3.8768 3.8768 4.2108 4.2108 4.4446 4.4446 6.2190 6.2190 6.2860 6.2860 6.5367 6.5367 6.5651 6.5651 7.9603 7.9603 8.0454 8.0454 11.5685 11.5685 11.5826 11.5826 13.0578 13.0578 13.1017 13.1017 k = 0.4524 0.4524 0.2200 ( 4056 PWs) bands (ev): -3.3289 -3.3289 -3.2874 -3.2874 2.5014 2.5014 3.0760 3.0760 3.6724 3.6724 3.8856 3.8856 4.2648 4.2648 4.5801 4.5801 6.1945 6.1945 6.2897 6.2897 6.5420 6.5420 6.5848 6.5848 7.9313 7.9313 8.0505 8.0505 11.5688 11.5688 11.5866 11.5866 13.0175 13.0175 13.0620 13.0620 k = 0.4444 0.4444 0.2200 ( 4052 PWs) bands (ev): -3.3383 -3.3383 -3.2820 -3.2820 2.3737 2.3737 3.0930 3.0930 3.6415 3.6415 3.8961 3.8961 4.3199 4.3199 4.7202 4.7202 6.1659 6.1659 6.2940 6.2940 6.5470 6.5470 6.6087 6.6087 7.8997 7.8997 8.0564 8.0564 11.5678 11.5678 11.5897 11.5897 12.9819 12.9819 13.0205 13.0205 k = 0.4365 0.4365 0.2200 ( 4052 PWs) bands (ev): -3.3492 -3.3492 -3.2759 -3.2759 2.2444 2.2444 3.1126 3.1126 3.6137 3.6137 3.9082 3.9082 4.3760 4.3760 4.8628 4.8628 6.1338 6.1338 6.2989 6.2989 6.5508 6.5508 6.6374 6.6374 7.8665 7.8665 8.0633 8.0633 11.5654 11.5654 11.5912 11.5912 12.9521 12.9521 12.9789 12.9789 k = 0.4286 0.4286 0.2200 ( 4060 PWs) bands (ev): -3.3617 -3.3617 -3.2691 -3.2691 2.1146 2.1146 3.1348 3.1348 3.5891 3.5891 3.9219 3.9219 4.4326 4.4326 5.0062 5.0062 6.0983 6.0983 6.3045 6.3045 6.5526 6.5526 6.6712 6.6712 7.8331 7.8331 8.0711 8.0711 11.5613 11.5613 11.5906 11.5906 12.9222 12.9222 12.9446 12.9446 k = 0.4206 0.4206 0.2200 ( 4056 PWs) bands (ev): -3.3757 -3.3757 -3.2618 -3.2618 1.9850 1.9850 3.1596 3.1596 3.5681 3.5681 3.9372 3.9372 4.4897 4.4897 5.1492 5.1492 6.0598 6.0598 6.3108 6.3108 6.5514 6.5514 6.7108 6.7108 7.8006 7.8006 8.0798 8.0798 11.5554 11.5554 11.5879 11.5879 12.8808 12.8808 12.9298 12.9298 k = 0.4127 0.4127 0.2200 ( 4068 PWs) bands (ev): -3.3912 -3.3912 -3.2540 -3.2540 1.8561 1.8561 3.1869 3.1869 3.5509 3.5509 3.9541 3.9541 4.5472 4.5472 5.2903 5.2903 6.0188 6.0188 6.3177 6.3177 6.5464 6.5464 6.7568 6.7568 7.7704 7.7704 8.0894 8.0894 11.5481 11.5481 11.5831 11.5831 12.8350 12.8350 12.9278 12.9278 k = 0.4048 0.4048 0.2200 ( 4068 PWs) bands (ev): -3.4083 -3.4083 -3.2458 -3.2458 1.7284 1.7284 3.2168 3.2168 3.5376 3.5376 3.9725 3.9725 4.6048 4.6048 5.4283 5.4283 5.9756 5.9756 6.3254 6.3254 6.5366 6.5366 6.8102 6.8102 7.7434 7.7434 8.0999 8.0999 11.5396 11.5396 11.5766 11.5766 12.7875 12.7875 12.9354 12.9354 k = 0.3968 0.3968 0.2200 ( 4068 PWs) bands (ev): -3.4270 -3.4270 -3.2372 -3.2372 1.6020 1.6020 3.2493 3.2493 3.5285 3.5285 3.9926 3.9926 4.6625 4.6625 5.5619 5.5619 5.9309 5.9309 6.3337 6.3337 6.5214 6.5214 6.8717 6.8717 7.7206 7.7206 8.1113 8.1113 11.5305 11.5305 11.5690 11.5690 12.7387 12.7387 12.9513 12.9513 k = 0.3889 0.3889 0.2200 ( 4072 PWs) bands (ev): -3.4472 -3.4472 -3.2284 -3.2284 1.4773 1.4773 3.2843 3.2843 3.5235 3.5235 4.0142 4.0142 4.7201 4.7201 5.6894 5.6894 5.8852 5.8852 6.3428 6.3428 6.5003 6.5003 6.9424 6.9424 7.7026 7.7026 8.1236 8.1236 11.5211 11.5211 11.5613 11.5613 12.6887 12.6887 12.9743 12.9743 k = 0.3810 0.3810 0.2200 ( 4064 PWs) bands (ev): -3.4689 -3.4689 -3.2195 -3.2195 1.3544 1.3544 3.3219 3.3219 3.5229 3.5229 4.0373 4.0373 4.7776 4.7776 5.8031 5.8031 5.8456 5.8456 6.3525 6.3525 6.4734 6.4734 7.0229 7.0229 7.6895 7.6895 8.1368 8.1368 11.5123 11.5123 11.5543 11.5543 12.6373 12.6373 13.0027 13.0027 k = 0.3730 0.3730 0.2200 ( 4064 PWs) bands (ev): -3.4922 -3.4922 -3.2105 -3.2105 1.2334 1.2334 3.3620 3.3620 3.5266 3.5266 4.0620 4.0620 4.8349 4.8349 5.7860 5.7860 5.9288 5.9288 6.3624 6.3624 6.4415 6.4415 7.1139 7.1139 7.6812 7.6812 8.1508 8.1508 11.5045 11.5045 11.5492 11.5492 12.5845 12.5845 13.0345 13.0345 k = 0.3651 0.3651 0.2200 ( 4062 PWs) bands (ev): -3.5170 -3.5170 -3.2016 -3.2016 1.1146 1.1146 3.4046 3.4046 3.5348 3.5348 4.0883 4.0883 4.8918 4.8918 5.7390 5.7390 6.0337 6.0337 6.3698 6.3698 6.4080 6.4080 7.2154 7.2154 7.6771 7.6771 8.1657 8.1657 11.4984 11.4984 11.5470 11.5470 12.5299 12.5299 13.0668 13.0668 k = 0.3571 0.3571 0.2200 ( 4058 PWs) bands (ev): -3.5432 -3.5432 -3.1928 -3.1928 0.9979 0.9979 3.4496 3.4496 3.5474 3.5474 4.1161 4.1161 4.9481 4.9481 5.6915 5.6915 6.1311 6.1311 6.3515 6.3515 6.3972 6.3972 7.3271 7.3271 7.6765 7.6765 8.1813 8.1813 11.4946 11.4946 11.5487 11.5487 12.4734 12.4734 13.0844 13.0844 k = 0.3492 0.3492 0.2200 ( 4068 PWs) bands (ev): -3.5709 -3.5709 -3.1844 -3.1844 0.8835 0.8835 3.4971 3.4971 3.5644 3.5644 4.1454 4.1454 5.0035 5.0035 5.6444 5.6444 6.2203 6.2203 6.3101 6.3101 6.4085 6.4085 7.4480 7.4480 7.6785 7.6785 8.1978 8.1978 11.4936 11.4936 11.5551 11.5551 12.4147 12.4147 13.0497 13.0497 k = 0.3413 0.3413 0.2200 ( 4064 PWs) bands (ev): -3.6000 -3.6000 -3.1763 -3.1763 0.7715 0.7715 3.5471 3.5471 3.5857 3.5857 4.1762 4.1762 5.0579 5.0579 5.5981 5.5981 6.2593 6.2593 6.3066 6.3066 6.4247 6.4247 7.5771 7.5771 7.6823 7.6823 8.2149 8.2149 11.4961 11.4961 11.5668 11.5668 12.3537 12.3537 13.0014 13.0014 k = 0.3333 0.3333 0.2200 ( 4068 PWs) bands (ev): -3.6304 -3.6304 -3.1687 -3.1687 0.6620 0.6620 3.5989 3.5989 3.6118 3.6118 4.2086 4.2086 5.1106 5.1106 5.5532 5.5532 6.2136 6.2136 6.3767 6.3767 6.4473 6.4473 7.6854 7.6854 7.7142 7.7142 8.2327 8.2327 11.5026 11.5026 11.5845 11.5845 12.2899 12.2899 12.9495 12.9495 k = 0.3254 0.3254 0.2200 ( 4074 PWs) bands (ev): -3.6621 -3.6621 -3.1617 -3.1617 0.5550 0.5550 3.6397 3.6397 3.6554 3.6554 4.2424 4.2424 5.1612 5.1612 5.5098 5.5098 6.1669 6.1669 6.4275 6.4275 6.4878 6.4878 7.6905 7.6905 7.8545 7.8545 8.2512 8.2512 11.5137 11.5137 11.6084 11.6084 12.2233 12.2233 12.8949 12.8950 k = 0.3175 0.3175 0.2200 ( 4078 PWs) bands (ev): -3.6950 -3.6950 -3.1554 -3.1554 0.4506 0.4506 3.6734 3.6734 3.7123 3.7123 4.2777 4.2777 5.2087 5.2087 5.4684 5.4684 6.1229 6.1229 6.4562 6.4562 6.5485 6.5485 7.6941 7.6941 7.9993 7.9993 8.2702 8.2702 11.5298 11.5298 11.6387 11.6387 12.1537 12.1537 12.8380 12.8380 k = 0.3095 0.3095 0.2200 ( 4078 PWs) bands (ev): -3.7289 -3.7289 -3.1500 -3.1500 0.3489 0.3489 3.7103 3.7103 3.7719 3.7719 4.3145 4.3145 5.2521 5.2521 5.4293 5.4293 6.0835 6.0835 6.4786 6.4786 6.6142 6.6142 7.6964 7.6964 8.1461 8.1461 8.2901 8.2901 11.5514 11.5514 11.6754 11.6754 12.0808 12.0808 12.7789 12.7789 k = 0.3016 0.3016 0.2200 ( 4076 PWs) bands (ev): -3.7640 -3.7640 -3.1454 -3.1454 0.2500 0.2500 3.7504 3.7504 3.8338 3.8338 4.3528 4.3528 5.2900 5.2900 5.3926 5.3926 6.0511 6.0511 6.5003 6.5003 6.6801 6.6801 7.6971 7.6971 8.2871 8.2871 8.3174 8.3174 11.5788 11.5788 11.7182 11.7182 12.0048 12.0048 12.7177 12.7177 k = 0.2937 0.2937 0.2200 ( 4072 PWs) bands (ev): -3.7999 -3.7999 -3.1419 -3.1419 0.1538 0.1538 3.7931 3.7931 3.8982 3.8982 4.3925 4.3925 5.3207 5.3207 5.3588 5.3588 6.0280 6.0280 6.5225 6.5225 6.7456 6.7456 7.6958 7.6958 8.3264 8.3264 8.4466 8.4466 11.6123 11.6123 11.7661 11.7661 11.9264 11.9264 12.6547 12.6547 k = 0.2857 0.2857 0.2200 ( 4072 PWs) bands (ev): -3.8367 -3.8367 -3.1395 -3.1395 0.0605 0.0605 3.8380 3.8380 3.9648 3.9648 4.4336 4.4336 5.3277 5.3277 5.3435 5.3435 6.0165 6.0165 6.5457 6.5457 6.8106 6.8106 7.6926 7.6926 8.3470 8.3470 8.5935 8.5935 11.6518 11.6518 11.8077 11.8077 11.8570 11.8570 12.5901 12.5901 k = 0.2778 0.2778 0.2200 ( 4074 PWs) bands (ev): -3.8742 -3.8742 -3.1383 -3.1383 -0.0300 -0.0300 3.8844 3.8844 4.0337 4.0337 4.4762 4.4762 5.3002 5.3002 5.3571 5.3571 6.0179 6.0179 6.5700 6.5700 6.8753 6.8753 7.6872 7.6872 8.3668 8.3668 8.7389 8.7389 11.6935 11.6935 11.7535 11.7535 11.8893 11.8893 12.5242 12.5242 k = 0.2698 0.2698 0.2200 ( 4076 PWs) bands (ev): -3.9123 -3.9123 -3.1382 -3.1382 -0.1175 -0.1175 3.9314 3.9314 4.1048 4.1048 4.5201 4.5201 5.2760 5.2760 5.3628 5.3628 6.0325 6.0325 6.5956 6.5956 6.9399 6.9399 7.6799 7.6799 8.3862 8.3862 8.8815 8.8815 11.6527 11.6527 11.7590 11.7590 11.9519 11.9519 12.4573 12.4573 k = 0.2619 0.2619 0.2200 ( 4086 PWs) bands (ev): -3.9509 -3.9509 -3.1395 -3.1395 -0.2021 -0.2021 3.9779 3.9779 4.1782 4.1782 4.5655 4.5655 5.2553 5.2553 5.3627 5.3627 6.0591 6.0591 6.6225 6.6225 7.0044 7.0044 7.6708 7.6708 8.4050 8.4050 9.0205 9.0205 11.5609 11.5609 11.8171 11.8171 12.0193 12.0193 12.3897 12.3897 k = 0.2540 0.2540 0.2200 ( 4082 PWs) bands (ev): -3.9899 -3.9899 -3.1421 -3.1421 -0.2837 -0.2837 4.0229 4.0229 4.2537 4.2537 4.6122 4.6122 5.2384 5.2384 5.3600 5.3600 6.0959 6.0959 6.6508 6.6508 7.0688 7.0688 7.6600 7.6600 8.4230 8.4230 9.1549 9.1549 11.4637 11.4637 11.8832 11.8832 12.0892 12.0892 12.3219 12.3219 k = 0.2460 0.2460 0.2200 ( 4078 PWs) bands (ev): -4.0291 -4.0291 -3.1460 -3.1460 -0.3623 -0.3623 4.0648 4.0648 4.3313 4.3313 4.6603 4.6603 5.2254 5.2254 5.3581 5.3581 6.1408 6.1408 6.6806 6.6806 7.1331 7.1331 7.6479 7.6479 8.4399 8.4399 9.2842 9.2842 11.3628 11.3628 11.9550 11.9550 12.1597 12.1597 12.2551 12.2551 k = 0.2381 0.2381 0.2200 ( 4078 PWs) bands (ev): -4.0686 -4.0686 -3.1513 -3.1513 -0.4378 -0.4378 4.1024 4.1024 4.4110 4.4110 4.7097 4.7097 5.2163 5.2163 5.3601 5.3601 6.1920 6.1920 6.7117 6.7117 7.1972 7.1972 7.6347 7.6347 8.4555 8.4555 9.4079 9.4079 11.2587 11.2587 12.0309 12.0309 12.1832 12.1832 12.2352 12.2352 k = 0.2302 0.2302 0.2200 ( 4086 PWs) bands (ev): -4.1080 -4.1080 -3.1580 -3.1580 -0.5104 -0.5104 4.1340 4.1340 4.4927 4.4927 4.7604 4.7604 5.2113 5.2113 5.3689 5.3689 6.2480 6.2480 6.7444 6.7444 7.2608 7.2608 7.6207 7.6207 8.4693 8.4693 9.5256 9.5256 11.1518 11.1518 12.1040 12.1040 12.1224 12.1224 12.2994 12.2994 k = 0.2222 0.2222 0.2200 ( 4086 PWs) bands (ev): -4.1474 -4.1474 -3.1660 -3.1660 -0.5799 -0.5799 4.1585 4.1585 4.5765 4.5765 4.8124 4.8124 5.2105 5.2105 5.3866 5.3866 6.3075 6.3075 6.7785 6.7785 7.3236 7.3236 7.6063 7.6063 8.4812 8.4812 9.6369 9.6369 11.0422 11.0422 12.0542 12.0542 12.1592 12.1592 12.2679 12.2679 k = 0.2143 0.2143 0.2200 ( 4080 PWs) bands (ev): -4.1865 -4.1865 -3.1752 -3.1752 -0.6465 -0.6465 4.1752 4.1752 4.6621 4.6621 4.8656 4.8656 5.2138 5.2138 5.4147 5.4147 6.3699 6.3699 6.8142 6.8142 7.3854 7.3854 7.5917 7.5917 8.4908 8.4908 9.7417 9.7417 10.9303 10.9303 11.9919 11.9919 12.0983 12.0983 12.3037 12.3037 k = 0.2063 0.2063 0.2200 ( 4080 PWs) bands (ev): -4.2253 -4.2253 -3.1857 -3.1857 -0.7100 -0.7100 4.1836 4.1836 4.7497 4.7497 4.9200 4.9200 5.2213 5.2213 5.4538 5.4538 6.4343 6.4343 6.8513 6.8513 7.4456 7.4456 7.5774 7.5774 8.4976 8.4976 9.8400 9.8400 10.8163 10.8163 11.9320 11.9320 11.9998 11.9998 12.3768 12.3768 k = 0.1984 0.1984 0.2200 ( 4092 PWs) bands (ev): -4.2637 -4.2637 -3.1973 -3.1973 -0.7706 -0.7706 4.1842 4.1842 4.8391 4.8391 4.9755 4.9755 5.2330 5.2330 5.5039 5.5039 6.5002 6.5002 6.8899 6.8899 7.5036 7.5036 7.5638 7.5638 8.5013 8.5013 9.9319 9.9319 10.7006 10.7006 11.8740 11.8740 11.9023 11.9023 12.4484 12.4484 k = 0.1905 0.1905 0.2200 ( 4092 PWs) bands (ev): -4.3015 -4.3015 -3.2100 -3.2100 -0.8282 -0.8282 4.1777 4.1777 4.9302 4.9302 5.0322 5.0322 5.2490 5.2490 5.5640 5.5640 6.5671 6.5671 6.9300 6.9300 7.5478 7.5478 7.5623 7.5623 8.5016 8.5016 10.0174 10.0174 10.5833 10.5833 11.8016 11.8016 11.8275 11.8275 12.5102 12.5103 k = 0.1825 0.1825 0.2200 ( 4096 PWs) bands (ev): -4.3387 -4.3387 -3.2236 -3.2236 -0.8830 -0.8830 4.1651 4.1651 5.0230 5.0230 5.0898 5.0898 5.2692 5.2692 5.6331 5.6331 6.6346 6.6346 6.9715 6.9715 7.5383 7.5383 7.6124 7.6124 8.4980 8.4980 10.0966 10.0966 10.4648 10.4648 11.7153 11.7153 11.7774 11.7774 12.5357 12.5357 k = 0.1746 0.1746 0.2200 ( 4092 PWs) bands (ev): -4.3751 -4.3751 -3.2380 -3.2380 -0.9349 -0.9349 4.1478 4.1478 5.1174 5.1174 5.1483 5.1483 5.2937 5.2937 5.7097 5.7097 6.7024 6.7024 7.0143 7.0143 7.5286 7.5286 7.6604 7.6604 8.4903 8.4903 10.1692 10.1692 10.3459 10.3459 11.6353 11.6353 11.7336 11.7336 12.5088 12.5088 k = 0.1667 0.1667 0.2200 ( 4092 PWs) bands (ev): -4.4107 -4.4107 -3.2532 -3.2532 -0.9840 -0.9840 4.1267 4.1267 5.2073 5.2073 5.2134 5.2134 5.3226 5.3226 5.7924 5.7924 6.7701 6.7701 7.0585 7.0585 7.5208 7.5208 7.7035 7.7035 8.4782 8.4782 10.2112 10.2112 10.2510 10.2510 11.5642 11.5642 11.6953 11.6953 12.4583 12.4583 k = 0.1587 0.1587 0.2200 ( 4090 PWs) bands (ev): -4.4452 -4.4452 -3.2689 -3.2689 -1.0304 -1.0304 4.1028 4.1028 5.2670 5.2670 5.3097 5.3097 5.3569 5.3569 5.8796 5.8796 6.8371 6.8371 7.1038 7.1038 7.5158 7.5158 7.7409 7.7409 8.4614 8.4614 10.1001 10.1001 10.3035 10.3035 11.5031 11.5031 11.6626 11.6626 12.3990 12.3990 k = 0.1508 0.1508 0.2200 ( 4086 PWs) bands (ev): -4.4787 -4.4787 -3.2851 -3.2851 -1.0741 -1.0741 4.0772 4.0772 5.3264 5.3264 5.3882 5.3882 5.4154 5.4154 5.9699 5.9699 6.9033 6.9033 7.1502 7.1502 7.5140 7.5140 7.7716 7.7716 8.4400 8.4400 9.9790 9.9790 10.3610 10.3610 11.4527 11.4527 11.6357 11.6357 12.3374 12.3374 k = 0.1429 0.1429 0.2200 ( 4090 PWs) bands (ev): -4.5111 -4.5111 -3.3016 -3.3016 -1.1151 -1.1151 4.0505 4.0505 5.3845 5.3845 5.4347 5.4347 5.5127 5.5127 6.0617 6.0617 6.9680 6.9680 7.1974 7.1974 7.5163 7.5163 7.7947 7.7947 8.4139 8.4139 9.8571 9.8571 10.4151 10.4151 11.4135 11.4135 11.6146 11.6146 12.2757 12.2757 k = 0.1349 0.1349 0.2200 ( 4104 PWs) bands (ev): -4.5422 -4.5422 -3.3182 -3.3182 -1.1536 -1.1536 4.0233 4.0233 5.4401 5.4401 5.4852 5.4852 5.6139 5.6139 6.1537 6.1537 7.0308 7.0308 7.2454 7.2454 7.5234 7.5234 7.8096 7.8096 8.3831 8.3831 9.7350 9.7350 10.4666 10.4666 11.3853 11.3853 11.5994 11.5994 12.2150 12.2150 k = 0.1270 0.1270 0.2200 ( 4104 PWs) bands (ev): -4.5719 -4.5719 -3.3348 -3.3348 -1.1895 -1.1895 3.9961 3.9961 5.4934 5.4934 5.5416 5.5416 5.7166 5.7166 6.2442 6.2442 7.0912 7.0912 7.2938 7.2938 7.5361 7.5361 7.8158 7.8158 8.3478 8.3478 9.6129 9.6129 10.5166 10.5166 11.3677 11.3677 11.5899 11.5899 12.1557 12.1557 k = 0.1190 0.1190 0.2200 ( 4104 PWs) bands (ev): -4.6003 -4.6003 -3.3512 -3.3512 -1.2230 -1.2230 3.9693 3.9693 5.5460 5.5460 5.6019 5.6019 5.8205 5.8205 6.3318 6.3318 7.1488 7.1488 7.3424 7.3424 7.5555 7.5555 7.8129 7.8129 8.3083 8.3083 9.4912 9.4912 10.5665 10.5665 11.3596 11.3596 11.5859 11.5859 12.0980 12.0980 k = 0.1111 0.1111 0.2200 ( 4092 PWs) bands (ev): -4.6272 -4.6272 -3.3674 -3.3674 -1.2541 -1.2541 3.9433 3.9433 5.5996 5.5996 5.6643 5.6643 5.9253 5.9253 6.4148 6.4148 7.2034 7.2034 7.3908 7.3908 7.5820 7.5820 7.8010 7.8010 8.2651 8.2651 9.3700 9.3700 10.6177 10.6177 11.3597 11.3597 11.5869 11.5869 12.0419 12.0419 k = 0.1032 0.1032 0.2200 ( 4096 PWs) bands (ev): -4.6525 -4.6525 -3.3830 -3.3830 -1.2828 -1.2828 3.9183 3.9183 5.6547 5.6547 5.7276 5.7276 6.0310 6.0310 6.4918 6.4918 7.2549 7.2549 7.4386 7.4386 7.6159 7.6159 7.7804 7.7804 8.2186 8.2186 9.2497 9.2497 10.6714 10.6714 11.3665 11.3665 11.5924 11.5924 11.9873 11.9873 k = 0.0952 0.0952 0.2200 ( 4100 PWs) bands (ev): -4.6762 -4.6762 -3.3981 -3.3981 -1.3092 -1.3092 3.8945 3.8945 5.7115 5.7115 5.7911 5.7911 6.1374 6.1374 6.5615 6.5615 7.3039 7.3039 7.4855 7.4855 7.6563 7.6563 7.7521 7.7521 8.1693 8.1693 9.1304 9.1304 10.7286 10.7286 11.3784 11.3784 11.6018 11.6018 11.9341 11.9341 k = 0.0873 0.0873 0.2200 ( 4096 PWs) bands (ev): -4.6983 -4.6983 -3.4125 -3.4125 -1.3333 -1.3333 3.8722 3.8722 5.7697 5.7697 5.8544 5.8544 6.2443 6.2443 6.6229 6.6229 7.3506 7.3506 7.5308 7.5308 7.6958 7.6958 7.7236 7.7236 8.1180 8.1180 9.0125 9.0125 10.7899 10.7899 11.3939 11.3939 11.6145 11.6145 11.8823 11.8823 k = 0.0794 0.0794 0.2200 ( 4084 PWs) bands (ev): -4.7186 -4.7186 -3.4261 -3.4261 -1.3552 -1.3552 3.8514 3.8514 5.8291 5.8291 5.9170 5.9170 6.3516 6.3516 6.6756 6.6756 7.3956 7.3956 7.5730 7.5730 7.6704 7.6704 7.7595 7.7595 8.0654 8.0654 8.8966 8.8966 10.8555 10.8555 11.4118 11.4118 11.6296 11.6296 11.8318 11.8318 k = 0.0714 0.0714 0.2200 ( 4096 PWs) bands (ev): -4.7371 -4.7371 -3.4387 -3.4387 -1.3749 -1.3749 3.8323 3.8323 5.8890 5.8890 5.9784 5.9784 6.4588 6.4588 6.7196 6.7196 7.4388 7.4388 7.6000 7.6000 7.6368 7.6368 7.8137 7.8137 8.0123 8.0123 8.7832 8.7832 10.9253 10.9253 11.4308 11.4308 11.6459 11.6459 11.7830 11.7830 k = 0.0635 0.0635 0.2200 ( 4098 PWs) bands (ev): -4.7538 -4.7538 -3.4503 -3.4503 -1.3925 -1.3925 3.8150 3.8150 5.9488 5.9488 6.0379 6.0379 6.5658 6.5658 6.7557 6.7557 7.4798 7.4798 7.5635 7.5635 7.6584 7.6584 7.8701 7.8701 7.9597 7.9597 8.6732 8.6732 10.9990 10.9990 11.4501 11.4501 11.6610 11.6610 11.7376 11.7376 k = 0.0556 0.0556 0.2200 ( 4098 PWs) bands (ev): -4.7687 -4.7687 -3.4607 -3.4607 -1.4079 -1.4079 3.7995 3.7995 6.0075 6.0075 6.0951 6.0951 6.6721 6.6721 6.7845 6.7845 7.5104 7.5104 7.5181 7.5181 7.6883 7.6883 7.9080 7.9080 7.9267 7.9267 8.5681 8.5681 11.0759 11.0759 11.4688 11.4688 11.6626 11.6626 11.7075 11.7075 k = 0.0476 0.0476 0.2200 ( 4096 PWs) bands (ev): -4.7816 -4.7816 -3.4699 -3.4699 -1.4212 -1.4212 3.7860 3.7860 6.0639 6.0639 6.1493 6.1493 6.7770 6.7770 6.8072 6.8072 7.4558 7.4558 7.5526 7.5526 7.7120 7.7120 7.8600 7.8600 7.9800 7.9800 8.4698 8.4698 11.1553 11.1553 11.4863 11.4863 11.6311 11.6311 11.7116 11.7116 k = 0.0397 0.0397 0.2200 ( 4098 PWs) bands (ev): -4.7926 -4.7926 -3.4778 -3.4778 -1.4325 -1.4325 3.7745 3.7745 6.1165 6.1165 6.1994 6.1994 6.8247 6.8247 6.8796 6.8796 7.4021 7.4021 7.5830 7.5830 7.7263 7.7263 7.8155 7.8155 8.0287 8.0287 8.3814 8.3814 11.2363 11.2363 11.5020 11.5020 11.5919 11.5919 11.6904 11.6904 k = 0.0317 0.0317 0.2200 ( 4102 PWs) bands (ev): -4.8016 -4.8016 -3.4844 -3.4844 -1.4416 -1.4416 3.7650 3.7650 6.1633 6.1633 6.2445 6.2445 6.8379 6.8379 6.9781 6.9781 7.3519 7.3519 7.6085 7.6085 7.7283 7.7283 7.7764 7.7764 8.0698 8.0698 8.3075 8.3075 11.3174 11.3174 11.5149 11.5149 11.5561 11.5561 11.6372 11.6372 k = 0.0238 0.0238 0.2200 ( 4102 PWs) bands (ev): -4.8087 -4.8087 -3.4895 -3.4895 -1.4487 -1.4487 3.7576 3.7576 6.2024 6.2024 6.2831 6.2831 6.8476 6.8476 7.0699 7.0699 7.3079 7.3079 7.6287 7.6287 7.7162 7.7162 7.7441 7.7441 8.0996 8.0996 8.2536 8.2536 11.3964 11.3964 11.5160 11.5160 11.5362 11.5362 11.5956 11.5956 k = 0.0159 0.0159 0.2200 ( 4102 PWs) bands (ev): -4.8137 -4.8137 -3.4932 -3.4932 -1.4538 -1.4538 3.7523 3.7523 6.2318 6.2318 6.3133 6.3133 6.8541 6.8541 7.1495 7.1495 7.2733 7.2733 7.6431 7.6431 7.6926 7.6926 7.7197 7.7197 8.1144 8.1144 8.2244 8.2244 11.4660 11.4660 11.4973 11.4973 11.5467 11.5467 11.5661 11.5661 k = 0.0079 0.0079 0.2200 ( 4102 PWs) bands (ev): -4.8168 -4.8168 -3.4955 -3.4955 -1.4569 -1.4569 3.7492 3.7492 6.2501 6.2501 6.3328 6.3328 6.8579 6.8579 7.2075 7.2075 7.2509 7.2509 7.6512 7.6512 7.6677 7.6677 7.7045 7.7045 8.1166 8.1166 8.2155 8.2155 11.4785 11.4785 11.5136 11.5136 11.5480 11.5480 11.5764 11.5764 k = 0.0000 0.0000 0.2200 ( 4098 PWs) bands (ev): -4.8178 -4.8178 -3.4962 -3.4962 -1.4579 -1.4579 3.7481 3.7481 6.2563 6.2563 6.3395 6.3395 6.8592 6.8592 7.2297 7.2297 7.2430 7.2430 7.6510 7.6510 7.6592 7.6592 7.6993 7.6993 8.1159 8.1159 8.2146 8.2146 11.4739 11.4739 11.5228 11.5228 11.5420 11.5420 11.6026 11.6026 k = 0.0000 0.5000-0.0000 ( 4072 PWs) bands (ev): -3.4244 -3.4244 -3.4244 -3.4244 0.9872 0.9872 0.9872 0.9872 3.6044 3.6044 3.6044 3.6044 6.0815 6.0815 6.0815 6.0815 6.4554 6.4554 6.4554 6.4554 8.4102 8.4102 8.4102 8.4102 9.6880 9.6880 9.6880 9.6880 11.0753 11.0753 11.0753 11.0753 12.5067 12.5067 12.5067 12.5067 k = 0.0000 0.5000 0.0110 ( 4064 PWs) bands (ev): -3.4243 -3.4243 -3.4243 -3.4243 0.9863 0.9863 0.9863 0.9863 3.6068 3.6068 3.6068 3.6068 6.0814 6.0814 6.0814 6.0814 6.4530 6.4530 6.4530 6.4530 8.4095 8.4095 8.4095 8.4095 9.6893 9.6893 9.6893 9.6893 11.0752 11.0752 11.0752 11.0752 12.5108 12.5108 12.5108 12.5108 k = 0.0000 0.5000 0.0220 ( 4068 PWs) bands (ev): -3.4242 -3.4242 -3.4242 -3.4242 0.9839 0.9839 0.9839 0.9839 3.6142 3.6142 3.6142 3.6142 6.0810 6.0810 6.0810 6.0810 6.4459 6.4459 6.4459 6.4459 8.4072 8.4072 8.4072 8.4072 9.6931 9.6931 9.6931 9.6931 11.0750 11.0750 11.0750 11.0750 12.5229 12.5229 12.5229 12.5229 k = 0.0000 0.5000 0.0330 ( 4072 PWs) bands (ev): -3.4240 -3.4240 -3.4240 -3.4240 0.9799 0.9799 0.9799 0.9799 3.6264 3.6264 3.6264 3.6264 6.0805 6.0805 6.0805 6.0805 6.4342 6.4342 6.4342 6.4342 8.4035 8.4035 8.4035 8.4035 9.6994 9.6994 9.6994 9.6994 11.0748 11.0748 11.0748 11.0748 12.5424 12.5424 12.5424 12.5424 k = 0.0000 0.5000 0.0440 ( 4070 PWs) bands (ev): -3.4237 -3.4237 -3.4237 -3.4237 0.9744 0.9744 0.9744 0.9744 3.6431 3.6431 3.6431 3.6431 6.0798 6.0798 6.0798 6.0798 6.4181 6.4181 6.4181 6.4181 8.3984 8.3984 8.3984 8.3984 9.7080 9.7080 9.7080 9.7080 11.0748 11.0748 11.0748 11.0748 12.5682 12.5682 12.5682 12.5682 k = 0.0000 0.5000 0.0550 ( 4066 PWs) bands (ev): -3.4233 -3.4233 -3.4233 -3.4233 0.9677 0.9677 0.9677 0.9677 3.6640 3.6640 3.6640 3.6640 6.0790 6.0790 6.0790 6.0790 6.3978 6.3978 6.3978 6.3978 8.3922 8.3922 8.3922 8.3922 9.7189 9.7189 9.7189 9.7189 11.0755 11.0755 11.0755 11.0755 12.5988 12.5988 12.5988 12.5988 k = 0.0000 0.5000 0.0660 ( 4062 PWs) bands (ev): -3.4229 -3.4229 -3.4229 -3.4229 0.9598 0.9598 0.9598 0.9598 3.6887 3.6887 3.6887 3.6887 6.0780 6.0780 6.0780 6.0780 6.3737 6.3737 6.3737 6.3737 8.3849 8.3849 8.3849 8.3849 9.7318 9.7318 9.7318 9.7318 11.0771 11.0771 11.0771 11.0771 12.6313 12.6313 12.6313 12.6313 k = 0.0000 0.5000 0.0770 ( 4062 PWs) bands (ev): -3.4224 -3.4224 -3.4224 -3.4224 0.9512 0.9512 0.9512 0.9512 3.7168 3.7168 3.7168 3.7168 6.0768 6.0768 6.0768 6.0768 6.3463 6.3463 6.3463 6.3463 8.3768 8.3768 8.3768 8.3768 9.7466 9.7466 9.7466 9.7466 11.0798 11.0798 11.0798 11.0798 12.6494 12.6494 12.6494 12.6494 k = 0.0000 0.5000 0.0880 ( 4062 PWs) bands (ev): -3.4219 -3.4219 -3.4219 -3.4219 0.9419 0.9419 0.9419 0.9419 3.7477 3.7477 3.7477 3.7477 6.0756 6.0756 6.0756 6.0756 6.3161 6.3161 6.3161 6.3161 8.3682 8.3682 8.3682 8.3682 9.7629 9.7629 9.7629 9.7629 11.0837 11.0837 11.0837 11.0837 12.5996 12.5996 12.5996 12.5996 k = 0.0000 0.5000 0.0990 ( 4072 PWs) bands (ev): -3.4214 -3.4214 -3.4214 -3.4214 0.9322 0.9322 0.9322 0.9322 3.7807 3.7807 3.7807 3.7807 6.0742 6.0742 6.0742 6.0742 6.2836 6.2836 6.2836 6.2836 8.3591 8.3591 8.3591 8.3591 9.7804 9.7804 9.7804 9.7804 11.0890 11.0890 11.0890 11.0890 12.5340 12.5340 12.5340 12.5340 k = 0.0000 0.5000 0.1100 ( 4072 PWs) bands (ev): -3.4208 -3.4208 -3.4208 -3.4208 0.9225 0.9225 0.9225 0.9225 3.8151 3.8151 3.8151 3.8151 6.0728 6.0728 6.0728 6.0728 6.2497 6.2497 6.2497 6.2497 8.3499 8.3499 8.3499 8.3499 9.7988 9.7988 9.7988 9.7988 11.0955 11.0955 11.0955 11.0955 12.4683 12.4683 12.4683 12.4683 k = 0.0000 0.5000 0.1210 ( 4078 PWs) bands (ev): -3.4203 -3.4203 -3.4203 -3.4203 0.9128 0.9128 0.9128 0.9128 3.8503 3.8503 3.8503 3.8503 6.0713 6.0713 6.0713 6.0713 6.2149 6.2149 6.2149 6.2149 8.3409 8.3409 8.3409 8.3409 9.8177 9.8177 9.8177 9.8177 11.1031 11.1031 11.1031 11.1031 12.4049 12.4049 12.4049 12.4049 k = 0.0000 0.5000 0.1320 ( 4080 PWs) bands (ev): -3.4197 -3.4197 -3.4197 -3.4197 0.9035 0.9035 0.9035 0.9035 3.8854 3.8854 3.8854 3.8854 6.0697 6.0697 6.0697 6.0697 6.1803 6.1803 6.1803 6.1803 8.3321 8.3321 8.3321 8.3321 9.8366 9.8366 9.8366 9.8366 11.1115 11.1115 11.1115 11.1115 12.3449 12.3449 12.3449 12.3449 k = 0.0000 0.5000 0.1430 ( 4078 PWs) bands (ev): -3.4192 -3.4192 -3.4192 -3.4192 0.8948 0.8948 0.8948 0.8948 3.9194 3.9194 3.9194 3.9194 6.0679 6.0679 6.0679 6.0679 6.1469 6.1469 6.1469 6.1469 8.3239 8.3239 8.3239 8.3239 9.8550 9.8550 9.8550 9.8550 11.1203 11.1203 11.1203 11.1203 12.2895 12.2895 12.2895 12.2895 k = 0.0000 0.5000 0.1540 ( 4088 PWs) bands (ev): -3.4187 -3.4187 -3.4187 -3.4187 0.8868 0.8868 0.8868 0.8868 3.9516 3.9516 3.9516 3.9516 6.0654 6.0654 6.0654 6.0654 6.1160 6.1160 6.1160 6.1160 8.3163 8.3163 8.3163 8.3163 9.8724 9.8724 9.8724 9.8724 11.1292 11.1292 11.1292 11.1292 12.2394 12.2394 12.2394 12.2394 k = 0.0000 0.5000 0.1650 ( 4076 PWs) bands (ev): -3.4183 -3.4183 -3.4183 -3.4183 0.8797 0.8797 0.8797 0.8797 3.9809 3.9809 3.9809 3.9809 6.0603 6.0603 6.0603 6.0603 6.0905 6.0905 6.0905 6.0905 8.3097 8.3097 8.3097 8.3097 9.8883 9.8883 9.8883 9.8883 11.1377 11.1377 11.1377 11.1377 12.1955 12.1955 12.1955 12.1955 k = 0.0000 0.5000 0.1760 ( 4068 PWs) bands (ev): -3.4179 -3.4179 -3.4179 -3.4179 0.8738 0.8738 0.8738 0.8738 4.0065 4.0065 4.0065 4.0065 6.0480 6.0480 6.0480 6.0480 6.0763 6.0763 6.0763 6.0763 8.3040 8.3040 8.3040 8.3040 9.9022 9.9022 9.9022 9.9022 11.1454 11.1454 11.1454 11.1454 12.1584 12.1584 12.1584 12.1584 k = 0.0000 0.5000 0.1870 ( 4068 PWs) bands (ev): -3.4177 -3.4177 -3.4177 -3.4177 0.8690 0.8690 0.8690 0.8690 4.0275 4.0275 4.0275 4.0275 6.0309 6.0309 6.0309 6.0309 6.0715 6.0715 6.0715 6.0715 8.2995 8.2995 8.2995 8.2995 9.9136 9.9136 9.9136 9.9136 11.1518 11.1518 11.1518 11.1518 12.1289 12.1289 12.1289 12.1289 k = 0.0000 0.5000 0.1980 ( 4076 PWs) bands (ev): -3.4174 -3.4174 -3.4174 -3.4174 0.8655 0.8655 0.8655 0.8655 4.0431 4.0431 4.0431 4.0431 6.0166 6.0166 6.0166 6.0166 6.0697 6.0697 6.0697 6.0697 8.2962 8.2962 8.2962 8.2962 9.9220 9.9220 9.9220 9.9220 11.1567 11.1567 11.1567 11.1567 12.1074 12.1074 12.1074 12.1074 k = 0.0000 0.5000 0.2090 ( 4068 PWs) bands (ev): -3.4173 -3.4173 -3.4173 -3.4173 0.8634 0.8634 0.8634 0.8634 4.0527 4.0527 4.0527 4.0527 6.0074 6.0074 6.0074 6.0074 6.0689 6.0689 6.0689 6.0689 8.2942 8.2942 8.2942 8.2942 9.9272 9.9272 9.9272 9.9272 11.1598 11.1598 11.1598 11.1598 12.0944 12.0944 12.0944 12.0944 k = 0.0000 0.5000 0.2200 ( 4064 PWs) bands (ev): -3.4173 -3.4173 -3.4173 -3.4173 0.8627 0.8627 0.8627 0.8627 4.0560 4.0560 4.0560 4.0560 6.0042 6.0042 6.0042 6.0042 6.0686 6.0686 6.0686 6.0686 8.2935 8.2935 8.2935 8.2935 9.9290 9.9290 9.9290 9.9290 11.1608 11.1608 11.1608 11.1608 12.0900 12.0900 12.0900 12.0900 k = 0.5000 0.5000-0.0000 ( 4076 PWs) bands (ev): -3.3074 -3.3074 -3.3074 -3.3074 3.0134 3.0134 3.0134 3.0134 3.8766 3.8766 3.8766 3.8766 4.3639 4.3639 4.3639 4.3639 5.8011 5.8011 5.8011 5.8011 6.2831 6.2831 6.2831 6.2831 8.0524 8.0524 8.0524 8.0524 13.1516 13.1516 13.1516 13.1516 13.2439 13.2439 13.2439 13.2439 k = 0.5000 0.5000 0.0110 ( 4076 PWs) bands (ev): -3.3074 -3.3074 -3.3074 -3.3074 3.0135 3.0135 3.0135 3.0135 3.8765 3.8765 3.8765 3.8765 4.3609 4.3609 4.3609 4.3609 5.8060 5.8060 5.8060 5.8060 6.2832 6.2832 6.2832 6.2832 8.0523 8.0523 8.0523 8.0523 13.1418 13.1418 13.1418 13.1418 13.2308 13.2308 13.2308 13.2308 k = 0.5000 0.5000 0.0220 ( 4084 PWs) bands (ev): -3.3073 -3.3073 -3.3073 -3.3073 3.0137 3.0137 3.0137 3.0137 3.8761 3.8761 3.8761 3.8761 4.3522 4.3522 4.3522 4.3522 5.8204 5.8204 5.8204 5.8204 6.2834 6.2834 6.2834 6.2834 8.0520 8.0520 8.0520 8.0520 13.1007 13.1007 13.1007 13.1007 13.2096 13.2096 13.2096 13.2096 k = 0.5000 0.5000 0.0330 ( 4072 PWs) bands (ev): -3.3072 -3.3072 -3.3072 -3.3072 3.0142 3.0142 3.0142 3.0142 3.8755 3.8755 3.8755 3.8755 4.3382 4.3382 4.3382 4.3382 5.8438 5.8438 5.8438 5.8438 6.2837 6.2837 6.2837 6.2837 8.0514 8.0514 8.0514 8.0514 13.0219 13.0219 13.0219 13.0219 13.1996 13.1996 13.1996 13.1996 k = 0.5000 0.5000 0.0440 ( 4076 PWs) bands (ev): -3.3070 -3.3070 -3.3070 -3.3070 3.0148 3.0148 3.0148 3.0148 3.8747 3.8747 3.8747 3.8747 4.3197 4.3197 4.3197 4.3197 5.8751 5.8751 5.8751 5.8751 6.2841 6.2841 6.2841 6.2841 8.0506 8.0506 8.0506 8.0506 12.9201 12.9201 12.9201 12.9201 13.1963 13.1963 13.1963 13.1963 k = 0.5000 0.5000 0.0550 ( 4068 PWs) bands (ev): -3.3067 -3.3067 -3.3067 -3.3067 3.0156 3.0156 3.0156 3.0156 3.8737 3.8737 3.8737 3.8737 4.2976 4.2976 4.2976 4.2976 5.9134 5.9134 5.9134 5.9134 6.2847 6.2847 6.2847 6.2847 8.0497 8.0497 8.0497 8.0497 12.8062 12.8062 12.8062 12.8062 13.1957 13.1957 13.1957 13.1957 k = 0.5000 0.5000 0.0660 ( 4056 PWs) bands (ev): -3.3065 -3.3065 -3.3065 -3.3065 3.0165 3.0165 3.0165 3.0165 3.8725 3.8725 3.8725 3.8725 4.2728 4.2728 4.2728 4.2728 5.9572 5.9572 5.9572 5.9572 6.2856 6.2856 6.2856 6.2856 8.0486 8.0486 8.0486 8.0486 12.6862 12.6862 12.6862 12.6862 13.1963 13.1963 13.1963 13.1963 k = 0.5000 0.5000 0.0770 ( 4056 PWs) bands (ev): -3.3062 -3.3062 -3.3062 -3.3062 3.0175 3.0175 3.0175 3.0175 3.8712 3.8712 3.8712 3.8712 4.2462 4.2462 4.2462 4.2462 6.0052 6.0052 6.0052 6.0052 6.2867 6.2867 6.2867 6.2867 8.0474 8.0474 8.0474 8.0474 12.5638 12.5638 12.5638 12.5638 13.1975 13.1975 13.1975 13.1975 k = 0.5000 0.5000 0.0880 ( 4052 PWs) bands (ev): -3.3059 -3.3059 -3.3059 -3.3059 3.0186 3.0186 3.0186 3.0186 3.8697 3.8697 3.8697 3.8697 4.2188 4.2188 4.2188 4.2188 6.0559 6.0559 6.0559 6.0559 6.2884 6.2884 6.2884 6.2884 8.0460 8.0460 8.0460 8.0460 12.4417 12.4417 12.4417 12.4417 13.1991 13.1991 13.1991 13.1991 k = 0.5000 0.5000 0.0990 ( 4052 PWs) bands (ev): -3.3055 -3.3055 -3.3055 -3.3055 3.0198 3.0198 3.0198 3.0198 3.8682 3.8682 3.8682 3.8682 4.1913 4.1913 4.1913 4.1913 6.1077 6.1077 6.1077 6.1077 6.2908 6.2908 6.2908 6.2908 8.0446 8.0446 8.0446 8.0446 12.3220 12.3220 12.3220 12.3220 13.2009 13.2009 13.2009 13.2009 k = 0.5000 0.5000 0.1100 ( 4044 PWs) bands (ev): -3.3052 -3.3052 -3.3052 -3.3052 3.0210 3.0210 3.0210 3.0210 3.8666 3.8666 3.8666 3.8666 4.1643 4.1643 4.1643 4.1643 6.1585 6.1585 6.1585 6.1585 6.2950 6.2950 6.2950 6.2950 8.0432 8.0432 8.0432 8.0432 12.2064 12.2064 12.2064 12.2064 13.2029 13.2029 13.2029 13.2029 k = 0.5000 0.5000 0.1210 ( 4044 PWs) bands (ev): -3.3048 -3.3048 -3.3048 -3.3048 3.0222 3.0222 3.0222 3.0222 3.8650 3.8650 3.8650 3.8650 4.1385 4.1385 4.1385 4.1385 6.2048 6.2048 6.2048 6.2048 6.3032 6.3032 6.3032 6.3032 8.0417 8.0417 8.0417 8.0417 12.0966 12.0966 12.0966 12.0966 13.2049 13.2049 13.2049 13.2049 k = 0.5000 0.5000 0.1320 ( 4052 PWs) bands (ev): -3.3045 -3.3045 -3.3045 -3.3045 3.0234 3.0234 3.0234 3.0234 3.8634 3.8634 3.8634 3.8634 4.1143 4.1143 4.1143 4.1143 6.2399 6.2399 6.2399 6.2399 6.3209 6.3209 6.3209 6.3209 8.0403 8.0403 8.0403 8.0403 11.9938 11.9938 11.9938 11.9938 13.2069 13.2069 13.2069 13.2069 k = 0.5000 0.5000 0.1430 ( 4052 PWs) bands (ev): -3.3042 -3.3042 -3.3042 -3.3042 3.0245 3.0245 3.0245 3.0245 3.8619 3.8619 3.8619 3.8619 4.0922 4.0922 4.0922 4.0922 6.2590 6.2590 6.2590 6.2590 6.3517 6.3517 6.3517 6.3517 8.0390 8.0390 8.0390 8.0390 11.8996 11.8996 11.8996 11.8996 13.2088 13.2088 13.2088 13.2088 k = 0.5000 0.5000 0.1540 ( 4060 PWs) bands (ev): -3.3039 -3.3039 -3.3039 -3.3039 3.0256 3.0256 3.0256 3.0256 3.8605 3.8605 3.8605 3.8605 4.0723 4.0723 4.0723 4.0723 6.2676 6.2676 6.2676 6.2676 6.3891 6.3891 6.3891 6.3891 8.0377 8.0377 8.0377 8.0377 11.8150 11.8150 11.8150 11.8150 13.2106 13.2106 13.2106 13.2106 k = 0.5000 0.5000 0.1650 ( 4060 PWs) bands (ev): -3.3036 -3.3036 -3.3036 -3.3036 3.0265 3.0265 3.0265 3.0265 3.8592 3.8592 3.8592 3.8592 4.0552 4.0552 4.0552 4.0552 6.2717 6.2717 6.2717 6.2717 6.4260 6.4260 6.4260 6.4260 8.0367 8.0367 8.0367 8.0367 11.7412 11.7412 11.7412 11.7412 13.2122 13.2122 13.2122 13.2122 k = 0.5000 0.5000 0.1760 ( 4060 PWs) bands (ev): -3.3034 -3.3034 -3.3034 -3.3034 3.0273 3.0273 3.0273 3.0273 3.8581 3.8581 3.8581 3.8581 4.0408 4.0408 4.0408 4.0408 6.2741 6.2741 6.2741 6.2741 6.4587 6.4587 6.4587 6.4587 8.0357 8.0357 8.0357 8.0357 11.6792 11.6792 11.6792 11.6792 13.2136 13.2136 13.2136 13.2136 k = 0.5000 0.5000 0.1870 ( 4076 PWs) bands (ev): -3.3032 -3.3032 -3.3032 -3.3032 3.0280 3.0280 3.0280 3.0280 3.8572 3.8572 3.8572 3.8572 4.0295 4.0295 4.0295 4.0295 6.2755 6.2755 6.2755 6.2755 6.4855 6.4855 6.4855 6.4855 8.0350 8.0350 8.0350 8.0350 11.6300 11.6300 11.6300 11.6300 13.2147 13.2147 13.2147 13.2147 k = 0.5000 0.5000 0.1980 ( 4080 PWs) bands (ev): -3.3030 -3.3030 -3.3030 -3.3030 3.0284 3.0284 3.0284 3.0284 3.8566 3.8566 3.8566 3.8566 4.0214 4.0214 4.0214 4.0214 6.2763 6.2763 6.2763 6.2763 6.5054 6.5054 6.5054 6.5054 8.0344 8.0344 8.0344 8.0344 11.5943 11.5943 11.5943 11.5943 13.2155 13.2155 13.2155 13.2155 k = 0.5000 0.5000 0.2090 ( 4072 PWs) bands (ev): -3.3030 -3.3030 -3.3030 -3.3030 3.0287 3.0287 3.0287 3.0287 3.8562 3.8562 3.8562 3.8562 4.0164 4.0164 4.0164 4.0164 6.2768 6.2768 6.2768 6.2768 6.5176 6.5176 6.5176 6.5176 8.0341 8.0341 8.0341 8.0341 11.5726 11.5726 11.5726 11.5726 13.2160 13.2160 13.2160 13.2160 k = 0.5000 0.5000 0.2200 ( 4080 PWs) bands (ev): -3.3029 -3.3029 -3.3029 -3.3029 3.0288 3.0288 3.0288 3.0288 3.8560 3.8560 3.8560 3.8560 4.0148 4.0148 4.0148 4.0148 6.2769 6.2769 6.2769 6.2769 6.5217 6.5217 6.5217 6.5217 8.0340 8.0340 8.0340 8.0340 11.5654 11.5654 11.5654 11.5654 13.2161 13.2161 13.2162 13.2162 Writing output data file ZrSiS.save init_run : 0.18s CPU 0.32s WALL ( 1 calls) electrons : 163.20s CPU 167.78s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.01s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 163.20s CPU 167.78s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.05s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.06s WALL ( 375 calls) cegterg : 150.19s CPU 152.62s WALL ( 865 calls) Called by sum_band: Called by *egterg: h_psi : 72.06s CPU 73.91s WALL ( 15074 calls) s_psi : 6.90s CPU 7.10s WALL ( 15074 calls) g_psi : 0.33s CPU 0.28s WALL ( 13834 calls) cdiaghg : 62.67s CPU 63.55s WALL ( 14209 calls) cegterg:over : 5.85s CPU 5.72s WALL ( 13834 calls) cegterg:upda : 5.36s CPU 5.28s WALL ( 13834 calls) cegterg:last : 2.58s CPU 2.59s WALL ( 2072 calls) cdiaghg:chol : 3.34s CPU 3.51s WALL ( 14209 calls) cdiaghg:inve : 1.92s CPU 1.77s WALL ( 14209 calls) cdiaghg:para : 3.59s CPU 3.63s WALL ( 28418 calls) Called by h_psi: h_psi:vloc : 54.77s CPU 56.13s WALL ( 15074 calls) h_psi:vnl : 17.06s CPU 17.54s WALL ( 15074 calls) add_vuspsi : 8.45s CPU 8.78s WALL ( 15074 calls) General routines calbec : 8.57s CPU 8.72s WALL ( 15074 calls) fft : 0.00s CPU 0.00s WALL ( 15 calls) fftw : 51.43s CPU 53.01s WALL ( 968372 calls) davcio : 0.16s CPU 0.20s WALL ( 750 calls) Parallel routines fft_scatter : 28.67s CPU 29.23s WALL ( 968387 calls) PWSCF : 2m56.44s CPU 4m 7.27s WALL This run was terminated on: 21:20:54 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=