Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 13: 6:35 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: ./NbGeAs.save/ file Nb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 4P 4P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 26 18 5 1376 835 135 Max 27 19 6 1389 851 146 Sum 949 681 213 49723 30379 5105 bravais-lattice index = 14 lattice parameter (alat) = 6.7121 a.u. unit-cell volume = 676.7109 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 44.00 number of Kohn-Sham states= 52 kinetic-energy cutoff = 48.0000 Ry charge density cutoff = 267.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.712118 celldm(2)= 1.000000 celldm(3)= 2.237816 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 2.237816 ) 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 0.446864 ) PseudoPot. # 1 for Ge read from file: /users/gautes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 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 1207 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for As read from file: /users/gautes/Pseudo/As.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 91883ac77fc8b4c49e33555c42516b17 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1209 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Nb read from file: /users/gautes/Pseudo/Nb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: c1e153ab096482f446ae869583c6ae55 Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1227 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ge 4.00 72.64000 Ge( 1.00) As 5.00 74.92160 As( 1.00) Nb 13.00 92.90640 Nb( 1.00) 16 Sym. Ops., with inversion, found (12 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 5 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 -1 0 ) f =( 0.5000000 ) ( -1 0 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) f =( 0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) f =( -0.5000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) f =( -0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) f =( 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 9 inversion cryst. s( 9) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 9) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(10) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(10) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 11 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(11) = ( 1.0000000 -0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 12 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(12) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(12) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 13 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(13) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(13) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(14) = ( 0 1 0 ) f =( -0.5000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(14) = ( 0.0000000 1.0000000 -0.0000000 ) f =( -0.5000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 15 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(15) = ( 0 1 0 ) f =( 0.5000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(15) = ( 0.0000000 -1.0000000 -0.0000000 ) f =( 0.5000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 16 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(16) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(16) = ( -0.0000000 1.0000000 -0.0000000 ) f =( 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) double point group D_4h(4/mmm) there are 14 classes and 4 irreducible representations the character table: E -E 2C4 -2C4 C2 2C2' 2C2'' i -i 2S4 -2S4 s_h -C2 -2C2' -2C2' -s_h G_6+ 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 2.00 -2.00 1.41 -1.41 0.00 G_7+ 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 2.00 -2.00 -1.41 1.41 0.00 G_6- 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 -2.00 2.00 -1.41 1.41 0.00 G_7- 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 -2.00 2.00 1.41 -1.41 0.00 2s_v 2s_d -2s_v -2s_d G_6+ 0.00 0.00 G_7+ 0.00 0.00 G_6- 0.00 0.00 G_7- 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C4 7 8 90 deg rotation - cart. axis [0,0,-1] -2C4 -7 -8 90 deg rotation - cart. axis [0,0,-1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 2C2'-2C2' 3 -3 4 -4 180 deg rotation - cart. axis [0,1,0] 2C2''-2C2' 5 -5 6 -6 180 deg rotation - cart. axis [1,1,0] i 9 inversion -i -9 inversion E 2S4 15 16 inv. 90 deg rotation - cart. axis [0,0,-1] -2S4 -15 -16 inv. 90 deg rotation - cart. axis [0,0,-1] E s_h -s_h 10 -10 inv. 180 deg rotation - cart. axis [0,0,1] 2s_v-2s_v 11 -11 12 -12 inv. 180 deg rotation - cart. axis [0,1,0] 2s_d-2s_d 13 -13 14 -14 inv. 180 deg rotation - cart. axis [1,1,0] Cartesian axes number of k points= 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 0.0111716), wk = 0.0026667 k( 159) = ( 0.0000000 0.0000000 0.0223432), wk = 0.0026667 k( 160) = ( 0.0000000 0.0000000 0.0335148), wk = 0.0026667 k( 161) = ( 0.0000000 0.0000000 0.0446864), wk = 0.0026667 k( 162) = ( 0.0000000 0.0000000 0.0558580), wk = 0.0026667 k( 163) = ( 0.0000000 0.0000000 0.0670296), wk = 0.0026667 k( 164) = ( 0.0000000 0.0000000 0.0782012), wk = 0.0026667 k( 165) = ( 0.0000000 0.0000000 0.0893728), wk = 0.0026667 k( 166) = ( 0.0000000 0.0000000 0.1005444), wk = 0.0026667 k( 167) = ( 0.0000000 0.0000000 0.1117160), wk = 0.0026667 k( 168) = ( 0.0000000 0.0000000 0.1228877), wk = 0.0026667 k( 169) = ( 0.0000000 0.0000000 0.1340593), wk = 0.0026667 k( 170) = ( 0.0000000 0.0000000 0.1452309), wk = 0.0026667 k( 171) = ( 0.0000000 0.0000000 0.1564025), wk = 0.0026667 k( 172) = ( 0.0000000 0.0000000 0.1675741), wk = 0.0026667 k( 173) = ( 0.0000000 0.0000000 0.1787457), wk = 0.0026667 k( 174) = ( 0.0000000 0.0000000 0.1899173), wk = 0.0026667 k( 175) = ( 0.0000000 0.0000000 0.2010889), wk = 0.0026667 k( 176) = ( 0.0000000 0.0000000 0.2122605), wk = 0.0026667 k( 177) = ( 0.0000000 0.0000000 0.2234321), wk = 0.0026667 k( 178) = ( 0.0000000 0.0000000 0.2234321), wk = 0.0026667 k( 179) = ( 0.0000000 0.0111111 0.2234321), wk = 0.0026667 k( 180) = ( 0.0000000 0.0222222 0.2234321), wk = 0.0026667 k( 181) = ( 0.0000000 0.0333333 0.2234321), wk = 0.0026667 k( 182) = ( 0.0000000 0.0444444 0.2234321), wk = 0.0026667 k( 183) = ( 0.0000000 0.0555556 0.2234321), wk = 0.0026667 k( 184) = ( 0.0000000 0.0666667 0.2234321), wk = 0.0026667 k( 185) = ( 0.0000000 0.0777778 0.2234321), wk = 0.0026667 k( 186) = ( 0.0000000 0.0888889 0.2234321), wk = 0.0026667 k( 187) = ( 0.0000000 0.1000000 0.2234321), wk = 0.0026667 k( 188) = ( 0.0000000 0.1111111 0.2234321), wk = 0.0026667 k( 189) = ( 0.0000000 0.1222222 0.2234321), wk = 0.0026667 k( 190) = ( 0.0000000 0.1333333 0.2234321), wk = 0.0026667 k( 191) = ( 0.0000000 0.1444444 0.2234321), wk = 0.0026667 k( 192) = ( 0.0000000 0.1555556 0.2234321), wk = 0.0026667 k( 193) = ( 0.0000000 0.1666667 0.2234321), wk = 0.0026667 k( 194) = ( 0.0000000 0.1777778 0.2234321), wk = 0.0026667 k( 195) = ( 0.0000000 0.1888889 0.2234321), wk = 0.0026667 k( 196) = ( 0.0000000 0.2000000 0.2234321), wk = 0.0026667 k( 197) = ( 0.0000000 0.2111111 0.2234321), wk = 0.0026667 k( 198) = ( 0.0000000 0.2222222 0.2234321), wk = 0.0026667 k( 199) = ( 0.0000000 0.2333333 0.2234321), wk = 0.0026667 k( 200) = ( 0.0000000 0.2444444 0.2234321), wk = 0.0026667 k( 201) = ( 0.0000000 0.2555556 0.2234321), wk = 0.0026667 k( 202) = ( 0.0000000 0.2666667 0.2234321), wk = 0.0026667 k( 203) = ( 0.0000000 0.2777778 0.2234321), wk = 0.0026667 k( 204) = ( 0.0000000 0.2888889 0.2234321), wk = 0.0026667 k( 205) = ( 0.0000000 0.3000000 0.2234321), wk = 0.0026667 k( 206) = ( 0.0000000 0.3111111 0.2234321), wk = 0.0026667 k( 207) = ( 0.0000000 0.3222222 0.2234321), wk = 0.0026667 k( 208) = ( 0.0000000 0.3333333 0.2234321), wk = 0.0026667 k( 209) = ( 0.0000000 0.3444444 0.2234321), wk = 0.0026667 k( 210) = ( 0.0000000 0.3555556 0.2234321), wk = 0.0026667 k( 211) = ( 0.0000000 0.3666667 0.2234321), wk = 0.0026667 k( 212) = ( 0.0000000 0.3777778 0.2234321), wk = 0.0026667 k( 213) = ( 0.0000000 0.3888889 0.2234321), wk = 0.0026667 k( 214) = ( 0.0000000 0.4000000 0.2234321), wk = 0.0026667 k( 215) = ( 0.0000000 0.4111111 0.2234321), wk = 0.0026667 k( 216) = ( 0.0000000 0.4222222 0.2234321), wk = 0.0026667 k( 217) = ( 0.0000000 0.4333333 0.2234321), wk = 0.0026667 k( 218) = ( 0.0000000 0.4444444 0.2234321), wk = 0.0026667 k( 219) = ( 0.0000000 0.4555556 0.2234321), wk = 0.0026667 k( 220) = ( 0.0000000 0.4666667 0.2234321), wk = 0.0026667 k( 221) = ( 0.0000000 0.4777778 0.2234321), wk = 0.0026667 k( 222) = ( 0.0000000 0.4888889 0.2234321), wk = 0.0026667 k( 223) = ( 0.0000000 0.5000000 0.2234321), wk = 0.0026667 k( 224) = ( 0.0000000 0.5000000 0.2234321), wk = 0.0026667 k( 225) = ( 0.0111111 0.5000000 0.2234321), wk = 0.0026667 k( 226) = ( 0.0222222 0.5000000 0.2234321), wk = 0.0026667 k( 227) = ( 0.0333333 0.5000000 0.2234321), wk = 0.0026667 k( 228) = ( 0.0444444 0.5000000 0.2234321), wk = 0.0026667 k( 229) = ( 0.0555556 0.5000000 0.2234321), wk = 0.0026667 k( 230) = ( 0.0666667 0.5000000 0.2234321), wk = 0.0026667 k( 231) = ( 0.0777778 0.5000000 0.2234321), wk = 0.0026667 k( 232) = ( 0.0888889 0.5000000 0.2234321), wk = 0.0026667 k( 233) = ( 0.1000000 0.5000000 0.2234321), wk = 0.0026667 k( 234) = ( 0.1111111 0.5000000 0.2234321), wk = 0.0026667 k( 235) = ( 0.1222222 0.5000000 0.2234321), wk = 0.0026667 k( 236) = ( 0.1333333 0.5000000 0.2234321), wk = 0.0026667 k( 237) = ( 0.1444444 0.5000000 0.2234321), wk = 0.0026667 k( 238) = ( 0.1555556 0.5000000 0.2234321), wk = 0.0026667 k( 239) = ( 0.1666667 0.5000000 0.2234321), wk = 0.0026667 k( 240) = ( 0.1777778 0.5000000 0.2234321), wk = 0.0026667 k( 241) = ( 0.1888889 0.5000000 0.2234321), wk = 0.0026667 k( 242) = ( 0.2000000 0.5000000 0.2234321), wk = 0.0026667 k( 243) = ( 0.2111111 0.5000000 0.2234321), wk = 0.0026667 k( 244) = ( 0.2222222 0.5000000 0.2234321), wk = 0.0026667 k( 245) = ( 0.2333333 0.5000000 0.2234321), wk = 0.0026667 k( 246) = ( 0.2444444 0.5000000 0.2234321), wk = 0.0026667 k( 247) = ( 0.2555556 0.5000000 0.2234321), wk = 0.0026667 k( 248) = ( 0.2666667 0.5000000 0.2234321), wk = 0.0026667 k( 249) = ( 0.2777778 0.5000000 0.2234321), wk = 0.0026667 k( 250) = ( 0.2888889 0.5000000 0.2234321), wk = 0.0026667 k( 251) = ( 0.3000000 0.5000000 0.2234321), wk = 0.0026667 k( 252) = ( 0.3111111 0.5000000 0.2234321), wk = 0.0026667 k( 253) = ( 0.3222222 0.5000000 0.2234321), wk = 0.0026667 k( 254) = ( 0.3333333 0.5000000 0.2234321), wk = 0.0026667 k( 255) = ( 0.3444444 0.5000000 0.2234321), wk = 0.0026667 k( 256) = ( 0.3555556 0.5000000 0.2234321), wk = 0.0026667 k( 257) = ( 0.3666667 0.5000000 0.2234321), wk = 0.0026667 k( 258) = ( 0.3777778 0.5000000 0.2234321), wk = 0.0026667 k( 259) = ( 0.3888889 0.5000000 0.2234321), wk = 0.0026667 k( 260) = ( 0.4000000 0.5000000 0.2234321), wk = 0.0026667 k( 261) = ( 0.4111111 0.5000000 0.2234321), wk = 0.0026667 k( 262) = ( 0.4222222 0.5000000 0.2234321), wk = 0.0026667 k( 263) = ( 0.4333333 0.5000000 0.2234321), wk = 0.0026667 k( 264) = ( 0.4444444 0.5000000 0.2234321), wk = 0.0026667 k( 265) = ( 0.4555556 0.5000000 0.2234321), wk = 0.0026667 k( 266) = ( 0.4666667 0.5000000 0.2234321), wk = 0.0026667 k( 267) = ( 0.4777778 0.5000000 0.2234321), wk = 0.0026667 k( 268) = ( 0.4888889 0.5000000 0.2234321), wk = 0.0026667 k( 269) = ( 0.5000000 0.5000000 0.2234321), wk = 0.0026667 k( 270) = ( 0.5000000 0.5000000 0.2234321), wk = 0.0026667 k( 271) = ( 0.4920635 0.4920635 0.2234321), wk = 0.0026667 k( 272) = ( 0.4841270 0.4841270 0.2234321), wk = 0.0026667 k( 273) = ( 0.4761905 0.4761905 0.2234321), wk = 0.0026667 k( 274) = ( 0.4682540 0.4682540 0.2234321), wk = 0.0026667 k( 275) = ( 0.4603175 0.4603175 0.2234321), wk = 0.0026667 k( 276) = ( 0.4523810 0.4523809 0.2234321), wk = 0.0026667 k( 277) = ( 0.4444444 0.4444444 0.2234321), wk = 0.0026667 k( 278) = ( 0.4365079 0.4365079 0.2234321), wk = 0.0026667 k( 279) = ( 0.4285714 0.4285714 0.2234321), wk = 0.0026667 k( 280) = ( 0.4206349 0.4206349 0.2234321), wk = 0.0026667 k( 281) = ( 0.4126984 0.4126984 0.2234321), wk = 0.0026667 k( 282) = ( 0.4047619 0.4047619 0.2234321), wk = 0.0026667 k( 283) = ( 0.3968254 0.3968254 0.2234321), wk = 0.0026667 k( 284) = ( 0.3888889 0.3888889 0.2234321), wk = 0.0026667 k( 285) = ( 0.3809524 0.3809524 0.2234321), wk = 0.0026667 k( 286) = ( 0.3730159 0.3730159 0.2234321), wk = 0.0026667 k( 287) = ( 0.3650794 0.3650794 0.2234321), wk = 0.0026667 k( 288) = ( 0.3571429 0.3571429 0.2234321), wk = 0.0026667 k( 289) = ( 0.3492063 0.3492063 0.2234321), wk = 0.0026667 k( 290) = ( 0.3412698 0.3412698 0.2234321), wk = 0.0026667 k( 291) = ( 0.3333333 0.3333333 0.2234321), wk = 0.0026667 k( 292) = ( 0.3253968 0.3253968 0.2234321), wk = 0.0026667 k( 293) = ( 0.3174603 0.3174603 0.2234321), wk = 0.0026667 k( 294) = ( 0.3095238 0.3095238 0.2234321), wk = 0.0026667 k( 295) = ( 0.3015873 0.3015873 0.2234321), wk = 0.0026667 k( 296) = ( 0.2936508 0.2936508 0.2234321), wk = 0.0026667 k( 297) = ( 0.2857143 0.2857143 0.2234321), wk = 0.0026667 k( 298) = ( 0.2777778 0.2777778 0.2234321), wk = 0.0026667 k( 299) = ( 0.2698413 0.2698413 0.2234321), wk = 0.0026667 k( 300) = ( 0.2619048 0.2619048 0.2234321), wk = 0.0026667 k( 301) = ( 0.2539683 0.2539683 0.2234321), wk = 0.0026667 k( 302) = ( 0.2460317 0.2460317 0.2234321), wk = 0.0026667 k( 303) = ( 0.2380952 0.2380952 0.2234321), wk = 0.0026667 k( 304) = ( 0.2301587 0.2301587 0.2234321), wk = 0.0026667 k( 305) = ( 0.2222222 0.2222222 0.2234321), wk = 0.0026667 k( 306) = ( 0.2142857 0.2142857 0.2234321), wk = 0.0026667 k( 307) = ( 0.2063492 0.2063492 0.2234321), wk = 0.0026667 k( 308) = ( 0.1984127 0.1984127 0.2234321), wk = 0.0026667 k( 309) = ( 0.1904762 0.1904762 0.2234321), wk = 0.0026667 k( 310) = ( 0.1825397 0.1825397 0.2234321), wk = 0.0026667 k( 311) = ( 0.1746032 0.1746032 0.2234321), wk = 0.0026667 k( 312) = ( 0.1666667 0.1666667 0.2234321), wk = 0.0026667 k( 313) = ( 0.1587302 0.1587302 0.2234321), wk = 0.0026667 k( 314) = ( 0.1507937 0.1507936 0.2234321), wk = 0.0026667 k( 315) = ( 0.1428571 0.1428571 0.2234321), wk = 0.0026667 k( 316) = ( 0.1349206 0.1349206 0.2234321), wk = 0.0026667 k( 317) = ( 0.1269841 0.1269841 0.2234321), wk = 0.0026667 k( 318) = ( 0.1190476 0.1190476 0.2234321), wk = 0.0026667 k( 319) = ( 0.1111111 0.1111111 0.2234321), wk = 0.0026667 k( 320) = ( 0.1031746 0.1031746 0.2234321), wk = 0.0026667 k( 321) = ( 0.0952381 0.0952381 0.2234321), wk = 0.0026667 k( 322) = ( 0.0873016 0.0873016 0.2234321), wk = 0.0026667 k( 323) = ( 0.0793651 0.0793651 0.2234321), wk = 0.0026667 k( 324) = ( 0.0714286 0.0714286 0.2234321), wk = 0.0026667 k( 325) = ( 0.0634921 0.0634921 0.2234321), wk = 0.0026667 k( 326) = ( 0.0555556 0.0555556 0.2234321), wk = 0.0026667 k( 327) = ( 0.0476191 0.0476190 0.2234321), wk = 0.0026667 k( 328) = ( 0.0396825 0.0396825 0.2234321), wk = 0.0026667 k( 329) = ( 0.0317460 0.0317460 0.2234321), wk = 0.0026667 k( 330) = ( 0.0238095 0.0238095 0.2234321), wk = 0.0026667 k( 331) = ( 0.0158730 0.0158730 0.2234321), wk = 0.0026667 k( 332) = ( 0.0079365 0.0079365 0.2234321), wk = 0.0026667 k( 333) = ( 0.0000000 0.0000000 0.2234321), wk = 0.0026667 k( 334) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026667 k( 335) = ( 0.0000000 0.5000000 0.0111716), wk = 0.0026667 k( 336) = ( 0.0000000 0.5000000 0.0223432), wk = 0.0026667 k( 337) = ( 0.0000000 0.5000000 0.0335148), wk = 0.0026667 k( 338) = ( 0.0000000 0.5000000 0.0446864), wk = 0.0026667 k( 339) = ( 0.0000000 0.5000000 0.0558580), wk = 0.0026667 k( 340) = ( 0.0000000 0.5000000 0.0670296), wk = 0.0026667 k( 341) = ( 0.0000000 0.5000000 0.0782012), wk = 0.0026667 k( 342) = ( 0.0000000 0.5000000 0.0893728), wk = 0.0026667 k( 343) = ( 0.0000000 0.5000000 0.1005444), wk = 0.0026667 k( 344) = ( 0.0000000 0.5000000 0.1117160), wk = 0.0026667 k( 345) = ( 0.0000000 0.5000000 0.1228877), wk = 0.0026667 k( 346) = ( 0.0000000 0.5000000 0.1340593), wk = 0.0026667 k( 347) = ( 0.0000000 0.5000000 0.1452309), wk = 0.0026667 k( 348) = ( 0.0000000 0.5000000 0.1564025), wk = 0.0026667 k( 349) = ( 0.0000000 0.5000000 0.1675741), wk = 0.0026667 k( 350) = ( 0.0000000 0.5000000 0.1787457), wk = 0.0026667 k( 351) = ( 0.0000000 0.5000000 0.1899173), wk = 0.0026667 k( 352) = ( 0.0000000 0.5000000 0.2010889), wk = 0.0026667 k( 353) = ( 0.0000000 0.5000000 0.2122605), wk = 0.0026667 k( 354) = ( 0.0000000 0.5000000 0.2234321), wk = 0.0026667 k( 355) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026667 k( 356) = ( 0.5000000 0.5000000 0.0111716), wk = 0.0026667 k( 357) = ( 0.5000000 0.5000000 0.0223432), wk = 0.0026667 k( 358) = ( 0.5000000 0.5000000 0.0335148), wk = 0.0026667 k( 359) = ( 0.5000000 0.5000000 0.0446864), wk = 0.0026667 k( 360) = ( 0.5000000 0.5000000 0.0558580), wk = 0.0026667 k( 361) = ( 0.5000000 0.5000000 0.0670296), wk = 0.0026667 k( 362) = ( 0.5000000 0.5000000 0.0782012), wk = 0.0026667 k( 363) = ( 0.5000000 0.5000000 0.0893728), wk = 0.0026667 k( 364) = ( 0.5000000 0.5000000 0.1005444), wk = 0.0026667 k( 365) = ( 0.5000000 0.5000000 0.1117160), wk = 0.0026667 k( 366) = ( 0.5000000 0.5000000 0.1228877), wk = 0.0026667 k( 367) = ( 0.5000000 0.5000000 0.1340593), wk = 0.0026667 k( 368) = ( 0.5000000 0.5000000 0.1452309), wk = 0.0026667 k( 369) = ( 0.5000000 0.5000000 0.1564025), wk = 0.0026667 k( 370) = ( 0.5000000 0.5000000 0.1675741), wk = 0.0026667 k( 371) = ( 0.5000000 0.5000000 0.1787457), wk = 0.0026667 k( 372) = ( 0.5000000 0.5000000 0.1899173), wk = 0.0026667 k( 373) = ( 0.5000000 0.5000000 0.2010889), wk = 0.0026667 k( 374) = ( 0.5000000 0.5000000 0.2122605), wk = 0.0026667 k( 375) = ( 0.5000000 0.5000000 0.2234321), 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: 49723 G-vectors FFT dimensions: ( 36, 36, 80) Smooth grid: 30379 G-vectors FFT dimensions: ( 30, 30, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.18 Mb ( 226, 52) NL pseudopotentials 0.21 Mb ( 113, 124) Each V/rho on FFT grid 0.06 Mb ( 3888) Each G-vector array 0.01 Mb ( 1378) G-vector shells 0.01 Mb ( 677) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.72 Mb ( 226, 208) Each subspace H/S matrix 0.04 Mb ( 52, 52) Each matrix 0.20 Mb ( 124, 2, 52) The potential is recalculated from file : ./NbGeAs.save/charge-density.dat Starting wfc are 84 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.2 secs Computing kpt #: 2 total cpu time spent up to now is 2.7 secs Computing kpt #: 3 total cpu time spent up to now is 3.1 secs Computing kpt #: 4 total cpu time spent up to now is 3.6 secs Computing kpt #: 5 total cpu time spent up to now is 4.0 secs Computing kpt #: 6 total cpu time spent up to now is 4.4 secs Computing kpt #: 7 total cpu time spent up to now is 4.8 secs Computing kpt #: 8 total cpu time spent up to now is 5.2 secs Computing kpt #: 9 total cpu time spent up to now is 5.6 secs Computing kpt #: 10 total cpu time spent up to now is 6.0 secs Computing kpt #: 11 total cpu time spent up to now is 6.4 secs Computing kpt #: 12 total cpu time spent up to now is 6.7 secs Computing kpt #: 13 total cpu time spent up to now is 7.0 secs Computing kpt #: 14 total cpu time spent up to now is 7.4 secs Computing kpt #: 15 total cpu time spent up to now is 7.7 secs Computing kpt #: 16 total cpu time spent up to now is 8.0 secs Computing kpt #: 17 total cpu time spent up to now is 8.3 secs Computing kpt #: 18 total cpu time spent up to now is 8.6 secs Computing kpt #: 19 total cpu time spent up to now is 9.0 secs Computing kpt #: 20 total cpu time spent up to now is 9.3 secs Computing kpt #: 21 total cpu time spent up to now is 9.7 secs Computing kpt #: 22 total cpu time spent up to now is 10.0 secs Computing kpt #: 23 total cpu time spent up to now is 10.4 secs Computing kpt #: 24 total cpu time spent up to now is 10.7 secs Computing kpt #: 25 total cpu time spent up to now is 11.0 secs Computing kpt #: 26 total cpu time spent up to now is 11.4 secs Computing kpt #: 27 total cpu time spent up to now is 11.7 secs Computing kpt #: 28 total cpu time spent up to now is 12.0 secs Computing kpt #: 29 total cpu time spent up to now is 12.3 secs Computing kpt #: 30 total cpu time spent up to now is 12.6 secs Computing kpt #: 31 total cpu time spent up to now is 12.9 secs Computing kpt #: 32 total cpu time spent up to now is 13.2 secs Computing kpt #: 33 total cpu time spent up to now is 13.5 secs Computing kpt #: 34 total cpu time spent up to now is 13.8 secs Computing kpt #: 35 total cpu time spent up to now is 14.1 secs Computing kpt #: 36 total cpu time spent up to now is 14.3 secs Computing kpt #: 37 total cpu time spent up to now is 14.6 secs Computing kpt #: 38 total cpu time spent up to now is 14.9 secs Computing kpt #: 39 total cpu time spent up to now is 15.2 secs Computing kpt #: 40 total cpu time spent up to now is 15.5 secs Computing kpt #: 41 total cpu time spent up to now is 15.8 secs Computing kpt #: 42 total cpu time spent up to now is 16.1 secs Computing kpt #: 43 total cpu time spent up to now is 16.4 secs Computing kpt #: 44 total cpu time spent up to now is 16.7 secs Computing kpt #: 45 total cpu time spent up to now is 17.0 secs Computing kpt #: 46 total cpu time spent up to now is 17.3 secs Computing kpt #: 47 total cpu time spent up to now is 17.6 secs Computing kpt #: 48 total cpu time spent up to now is 17.9 secs Computing kpt #: 49 total cpu time spent up to now is 18.1 secs Computing kpt #: 50 total cpu time spent up to now is 18.4 secs Computing kpt #: 51 total cpu time spent up to now is 18.7 secs Computing kpt #: 52 total cpu time spent up to now is 19.0 secs Computing kpt #: 53 total cpu time spent up to now is 19.3 secs Computing kpt #: 54 total cpu time spent up to now is 19.6 secs Computing kpt #: 55 total cpu time spent up to now is 19.9 secs Computing kpt #: 56 total cpu time spent up to now is 20.2 secs Computing kpt #: 57 total cpu time spent up to now is 20.4 secs Computing kpt #: 58 total cpu time spent up to now is 20.7 secs Computing kpt #: 59 total cpu time spent up to now is 21.0 secs Computing kpt #: 60 total cpu time spent up to now is 21.4 secs Computing kpt #: 61 total cpu time spent up to now is 21.7 secs Computing kpt #: 62 total cpu time spent up to now is 22.0 secs Computing kpt #: 63 total cpu time spent up to now is 22.3 secs Computing kpt #: 64 total cpu time spent up to now is 22.6 secs Computing kpt #: 65 total cpu time spent up to now is 22.9 secs Computing kpt #: 66 total cpu time spent up to now is 23.2 secs Computing kpt #: 67 total cpu time spent up to now is 23.5 secs Computing kpt #: 68 total cpu time spent up to now is 23.8 secs Computing kpt #: 69 total cpu time spent up to now is 24.1 secs Computing kpt #: 70 total cpu time spent up to now is 24.4 secs Computing kpt #: 71 total cpu time spent up to now is 24.8 secs Computing kpt #: 72 total cpu time spent up to now is 25.1 secs Computing kpt #: 73 total cpu time spent up to now is 25.4 secs Computing kpt #: 74 total cpu time spent up to now is 25.8 secs Computing kpt #: 75 total cpu time spent up to now is 26.1 secs Computing kpt #: 76 total cpu time spent up to now is 26.4 secs Computing kpt #: 77 total cpu time spent up to now is 26.7 secs Computing kpt #: 78 total cpu time spent up to now is 27.1 secs Computing kpt #: 79 total cpu time spent up to now is 27.4 secs Computing kpt #: 80 total cpu time spent up to now is 27.7 secs Computing kpt #: 81 total cpu time spent up to now is 28.1 secs Computing kpt #: 82 total cpu time spent up to now is 28.4 secs Computing kpt #: 83 total cpu time spent up to now is 28.7 secs Computing kpt #: 84 total cpu time spent up to now is 29.1 secs Computing kpt #: 85 total cpu time spent up to now is 29.4 secs Computing kpt #: 86 total cpu time spent up to now is 29.8 secs Computing kpt #: 87 total cpu time spent up to now is 30.1 secs Computing kpt #: 88 total cpu time spent up to now is 30.4 secs Computing kpt #: 89 total cpu time spent up to now is 30.7 secs Computing kpt #: 90 total cpu time spent up to now is 31.0 secs Computing kpt #: 91 total cpu time spent up to now is 31.3 secs Computing kpt #: 92 total cpu time spent up to now is 31.6 secs Computing kpt #: 93 total cpu time spent up to now is 31.9 secs Computing kpt #: 94 total cpu time spent up to now is 32.2 secs Computing kpt #: 95 total cpu time spent up to now is 32.5 secs Computing kpt #: 96 total cpu time spent up to now is 32.8 secs Computing kpt #: 97 total cpu time spent up to now is 33.1 secs Computing kpt #: 98 total cpu time spent up to now is 33.4 secs Computing kpt #: 99 total cpu time spent up to now is 33.7 secs Computing kpt #: 100 total cpu time spent up to now is 34.1 secs Computing kpt #: 101 total cpu time spent up to now is 34.4 secs Computing kpt #: 102 total cpu time spent up to now is 34.8 secs Computing kpt #: 103 total cpu time spent up to now is 35.1 secs Computing kpt #: 104 total cpu time spent up to now is 35.5 secs Computing kpt #: 105 total cpu time spent up to now is 35.9 secs Computing kpt #: 106 total cpu time spent up to now is 36.2 secs Computing kpt #: 107 total cpu time spent up to now is 36.6 secs Computing kpt #: 108 total cpu time spent up to now is 37.0 secs Computing kpt #: 109 total cpu time spent up to now is 37.4 secs Computing kpt #: 110 total cpu time spent up to now is 37.7 secs Computing kpt #: 111 total cpu time spent up to now is 38.1 secs Computing kpt #: 112 total cpu time spent up to now is 38.5 secs Computing kpt #: 113 total cpu time spent up to now is 38.8 secs Computing kpt #: 114 total cpu time spent up to now is 39.2 secs Computing kpt #: 115 total cpu time spent up to now is 39.5 secs Computing kpt #: 116 total cpu time spent up to now is 39.8 secs Computing kpt #: 117 total cpu time spent up to now is 40.1 secs Computing kpt #: 118 total cpu time spent up to now is 40.4 secs Computing kpt #: 119 total cpu time spent up to now is 40.7 secs Computing kpt #: 120 total cpu time spent up to now is 41.1 secs Computing kpt #: 121 total cpu time spent up to now is 41.4 secs Computing kpt #: 122 total cpu time spent up to now is 41.7 secs Computing kpt #: 123 total cpu time spent up to now is 42.0 secs Computing kpt #: 124 total cpu time spent up to now is 42.3 secs Computing kpt #: 125 total cpu time spent up to now is 42.6 secs Computing kpt #: 126 total cpu time spent up to now is 42.9 secs Computing kpt #: 127 total cpu time spent up to now is 43.3 secs Computing kpt #: 128 total cpu time spent up to now is 43.6 secs Computing kpt #: 129 total cpu time spent up to now is 43.9 secs Computing kpt #: 130 total cpu time spent up to now is 44.3 secs Computing kpt #: 131 total cpu time spent up to now is 44.6 secs Computing kpt #: 132 total cpu time spent up to now is 45.0 secs Computing kpt #: 133 total cpu time spent up to now is 45.3 secs Computing kpt #: 134 total cpu time spent up to now is 45.7 secs Computing kpt #: 135 total cpu time spent up to now is 46.0 secs Computing kpt #: 136 total cpu time spent up to now is 46.4 secs Computing kpt #: 137 total cpu time spent up to now is 46.8 secs Computing kpt #: 138 total cpu time spent up to now is 47.2 secs Computing kpt #: 139 total cpu time spent up to now is 47.6 secs Computing kpt #: 140 total cpu time spent up to now is 48.1 secs Computing kpt #: 141 total cpu time spent up to now is 48.5 secs Computing kpt #: 142 total cpu time spent up to now is 49.0 secs Computing kpt #: 143 total cpu time spent up to now is 49.4 secs Computing kpt #: 144 total cpu time spent up to now is 49.8 secs Computing kpt #: 145 total cpu time spent up to now is 50.3 secs Computing kpt #: 146 total cpu time spent up to now is 50.7 secs Computing kpt #: 147 total cpu time spent up to now is 51.2 secs Computing kpt #: 148 total cpu time spent up to now is 51.6 secs Computing kpt #: 149 total cpu time spent up to now is 52.0 secs Computing kpt #: 150 total cpu time spent up to now is 52.4 secs Computing kpt #: 151 total cpu time spent up to now is 52.8 secs Computing kpt #: 152 total cpu time spent up to now is 53.2 secs Computing kpt #: 153 total cpu time spent up to now is 53.7 secs Computing kpt #: 154 total cpu time spent up to now is 54.1 secs Computing kpt #: 155 total cpu time spent up to now is 54.6 secs Computing kpt #: 156 total cpu time spent up to now is 55.0 secs Computing kpt #: 157 total cpu time spent up to now is 55.4 secs Computing kpt #: 158 total cpu time spent up to now is 55.8 secs Computing kpt #: 159 total cpu time spent up to now is 56.2 secs Computing kpt #: 160 total cpu time spent up to now is 56.6 secs Computing kpt #: 161 total cpu time spent up to now is 57.1 secs Computing kpt #: 162 total cpu time spent up to now is 57.5 secs Computing kpt #: 163 total cpu time spent up to now is 58.0 secs Computing kpt #: 164 total cpu time spent up to now is 58.4 secs Computing kpt #: 165 total cpu time spent up to now is 58.8 secs Computing kpt #: 166 total cpu time spent up to now is 59.2 secs Computing kpt #: 167 total cpu time spent up to now is 59.5 secs Computing kpt #: 168 total cpu time spent up to now is 59.9 secs Computing kpt #: 169 total cpu time spent up to now is 60.3 secs Computing kpt #: 170 total cpu time spent up to now is 60.6 secs Computing kpt #: 171 total cpu time spent up to now is 60.9 secs Computing kpt #: 172 total cpu time spent up to now is 61.3 secs Computing kpt #: 173 total cpu time spent up to now is 61.7 secs Computing kpt #: 174 total cpu time spent up to now is 62.0 secs Computing kpt #: 175 total cpu time spent up to now is 62.4 secs Computing kpt #: 176 total cpu time spent up to now is 62.7 secs Computing kpt #: 177 total cpu time spent up to now is 63.1 secs Computing kpt #: 178 total cpu time spent up to now is 63.5 secs Computing kpt #: 179 total cpu time spent up to now is 63.9 secs Computing kpt #: 180 total cpu time spent up to now is 64.2 secs Computing kpt #: 181 total cpu time spent up to now is 64.6 secs Computing kpt #: 182 total cpu time spent up to now is 65.0 secs Computing kpt #: 183 total cpu time spent up to now is 65.3 secs Computing kpt #: 184 total cpu time spent up to now is 65.7 secs Computing kpt #: 185 total cpu time spent up to now is 66.0 secs Computing kpt #: 186 total cpu time spent up to now is 66.4 secs Computing kpt #: 187 total cpu time spent up to now is 66.7 secs Computing kpt #: 188 total cpu time spent up to now is 67.1 secs Computing kpt #: 189 total cpu time spent up to now is 67.4 secs Computing kpt #: 190 total cpu time spent up to now is 67.8 secs Computing kpt #: 191 total cpu time spent up to now is 68.2 secs Computing kpt #: 192 total cpu time spent up to now is 68.6 secs Computing kpt #: 193 total cpu time spent up to now is 69.0 secs Computing kpt #: 194 total cpu time spent up to now is 69.4 secs Computing kpt #: 195 total cpu time spent up to now is 69.7 secs Computing kpt #: 196 total cpu time spent up to now is 70.1 secs Computing kpt #: 197 total cpu time spent up to now is 70.5 secs Computing kpt #: 198 total cpu time spent up to now is 72.2 secs Computing kpt #: 199 total cpu time spent up to now is 72.6 secs Computing kpt #: 200 total cpu time spent up to now is 73.0 secs Computing kpt #: 201 total cpu time spent up to now is 73.3 secs Computing kpt #: 202 total cpu time spent up to now is 73.7 secs Computing kpt #: 203 total cpu time spent up to now is 74.1 secs Computing kpt #: 204 total cpu time spent up to now is 74.5 secs Computing kpt #: 205 total cpu time spent up to now is 74.9 secs Computing kpt #: 206 total cpu time spent up to now is 75.3 secs Computing kpt #: 207 total cpu time spent up to now is 75.7 secs Computing kpt #: 208 total cpu time spent up to now is 76.1 secs Computing kpt #: 209 total cpu time spent up to now is 76.5 secs Computing kpt #: 210 total cpu time spent up to now is 76.9 secs Computing kpt #: 211 total cpu time spent up to now is 77.3 secs Computing kpt #: 212 total cpu time spent up to now is 77.6 secs Computing kpt #: 213 total cpu time spent up to now is 78.0 secs Computing kpt #: 214 total cpu time spent up to now is 78.3 secs Computing kpt #: 215 total cpu time spent up to now is 78.7 secs Computing kpt #: 216 total cpu time spent up to now is 79.0 secs Computing kpt #: 217 total cpu time spent up to now is 79.3 secs Computing kpt #: 218 total cpu time spent up to now is 79.7 secs Computing kpt #: 219 total cpu time spent up to now is 80.0 secs Computing kpt #: 220 total cpu time spent up to now is 80.3 secs Computing kpt #: 221 total cpu time spent up to now is 80.6 secs Computing kpt #: 222 total cpu time spent up to now is 80.9 secs Computing kpt #: 223 total cpu time spent up to now is 81.2 secs Computing kpt #: 224 total cpu time spent up to now is 81.5 secs Computing kpt #: 225 total cpu time spent up to now is 81.8 secs Computing kpt #: 226 total cpu time spent up to now is 82.1 secs Computing kpt #: 227 total cpu time spent up to now is 82.4 secs Computing kpt #: 228 total cpu time spent up to now is 82.7 secs Computing kpt #: 229 total cpu time spent up to now is 83.0 secs Computing kpt #: 230 total cpu time spent up to now is 83.3 secs Computing kpt #: 231 total cpu time spent up to now is 83.6 secs Computing kpt #: 232 total cpu time spent up to now is 84.0 secs Computing kpt #: 233 total cpu time spent up to now is 84.3 secs Computing kpt #: 234 total cpu time spent up to now is 84.6 secs Computing kpt #: 235 total cpu time spent up to now is 84.9 secs Computing kpt #: 236 total cpu time spent up to now is 85.2 secs Computing kpt #: 237 total cpu time spent up to now is 85.5 secs Computing kpt #: 238 total cpu time spent up to now is 85.8 secs Computing kpt #: 239 total cpu time spent up to now is 86.1 secs Computing kpt #: 240 total cpu time spent up to now is 86.4 secs Computing kpt #: 241 total cpu time spent up to now is 86.7 secs Computing kpt #: 242 total cpu time spent up to now is 87.0 secs Computing kpt #: 243 total cpu time spent up to now is 87.3 secs Computing kpt #: 244 total cpu time spent up to now is 87.6 secs Computing kpt #: 245 total cpu time spent up to now is 87.9 secs Computing kpt #: 246 total cpu time spent up to now is 88.2 secs Computing kpt #: 247 total cpu time spent up to now is 88.5 secs Computing kpt #: 248 total cpu time spent up to now is 88.8 secs Computing kpt #: 249 total cpu time spent up to now is 89.1 secs Computing kpt #: 250 total cpu time spent up to now is 89.4 secs Computing kpt #: 251 total cpu time spent up to now is 89.7 secs Computing kpt #: 252 total cpu time spent up to now is 90.0 secs Computing kpt #: 253 total cpu time spent up to now is 90.3 secs Computing kpt #: 254 total cpu time spent up to now is 90.6 secs Computing kpt #: 255 total cpu time spent up to now is 90.9 secs Computing kpt #: 256 total cpu time spent up to now is 91.1 secs Computing kpt #: 257 total cpu time spent up to now is 91.5 secs Computing kpt #: 258 total cpu time spent up to now is 91.8 secs Computing kpt #: 259 total cpu time spent up to now is 92.1 secs Computing kpt #: 260 total cpu time spent up to now is 92.4 secs Computing kpt #: 261 total cpu time spent up to now is 92.7 secs Computing kpt #: 262 total cpu time spent up to now is 93.0 secs Computing kpt #: 263 total cpu time spent up to now is 93.3 secs Computing kpt #: 264 total cpu time spent up to now is 93.7 secs Computing kpt #: 265 total cpu time spent up to now is 94.0 secs Computing kpt #: 266 total cpu time spent up to now is 94.3 secs Computing kpt #: 267 total cpu time spent up to now is 94.6 secs Computing kpt #: 268 total cpu time spent up to now is 94.9 secs Computing kpt #: 269 total cpu time spent up to now is 95.2 secs Computing kpt #: 270 total cpu time spent up to now is 95.6 secs Computing kpt #: 271 total cpu time spent up to now is 95.9 secs Computing kpt #: 272 total cpu time spent up to now is 96.2 secs Computing kpt #: 273 total cpu time spent up to now is 96.5 secs Computing kpt #: 274 total cpu time spent up to now is 96.8 secs Computing kpt #: 275 total cpu time spent up to now is 97.1 secs Computing kpt #: 276 total cpu time spent up to now is 97.5 secs Computing kpt #: 277 total cpu time spent up to now is 97.8 secs Computing kpt #: 278 total cpu time spent up to now is 98.1 secs Computing kpt #: 279 total cpu time spent up to now is 98.4 secs Computing kpt #: 280 total cpu time spent up to now is 98.7 secs Computing kpt #: 281 total cpu time spent up to now is 99.0 secs Computing kpt #: 282 total cpu time spent up to now is 99.3 secs Computing kpt #: 283 total cpu time spent up to now is 99.6 secs Computing kpt #: 284 total cpu time spent up to now is 99.9 secs Computing kpt #: 285 total cpu time spent up to now is 100.2 secs Computing kpt #: 286 total cpu time spent up to now is 100.5 secs Computing kpt #: 287 total cpu time spent up to now is 100.8 secs Computing kpt #: 288 total cpu time spent up to now is 101.1 secs Computing kpt #: 289 total cpu time spent up to now is 101.4 secs Computing kpt #: 290 total cpu time spent up to now is 101.7 secs Computing kpt #: 291 total cpu time spent up to now is 102.0 secs Computing kpt #: 292 total cpu time spent up to now is 102.3 secs Computing kpt #: 293 total cpu time spent up to now is 102.6 secs Computing kpt #: 294 total cpu time spent up to now is 102.9 secs Computing kpt #: 295 total cpu time spent up to now is 103.2 secs Computing kpt #: 296 total cpu time spent up to now is 103.5 secs Computing kpt #: 297 total cpu time spent up to now is 103.8 secs Computing kpt #: 298 total cpu time spent up to now is 104.1 secs Computing kpt #: 299 total cpu time spent up to now is 104.3 secs Computing kpt #: 300 total cpu time spent up to now is 104.6 secs Computing kpt #: 301 total cpu time spent up to now is 104.9 secs Computing kpt #: 302 total cpu time spent up to now is 105.2 secs Computing kpt #: 303 total cpu time spent up to now is 105.5 secs Computing kpt #: 304 total cpu time spent up to now is 105.8 secs Computing kpt #: 305 total cpu time spent up to now is 106.1 secs Computing kpt #: 306 total cpu time spent up to now is 106.4 secs Computing kpt #: 307 total cpu time spent up to now is 106.7 secs Computing kpt #: 308 total cpu time spent up to now is 107.1 secs Computing kpt #: 309 total cpu time spent up to now is 107.4 secs Computing kpt #: 310 total cpu time spent up to now is 107.8 secs Computing kpt #: 311 total cpu time spent up to now is 108.2 secs Computing kpt #: 312 total cpu time spent up to now is 108.6 secs Computing kpt #: 313 total cpu time spent up to now is 108.9 secs Computing kpt #: 314 total cpu time spent up to now is 109.3 secs Computing kpt #: 315 total cpu time spent up to now is 109.6 secs Computing kpt #: 316 total cpu time spent up to now is 110.0 secs Computing kpt #: 317 total cpu time spent up to now is 110.3 secs Computing kpt #: 318 total cpu time spent up to now is 110.7 secs Computing kpt #: 319 total cpu time spent up to now is 111.0 secs Computing kpt #: 320 total cpu time spent up to now is 111.4 secs Computing kpt #: 321 total cpu time spent up to now is 111.8 secs Computing kpt #: 322 total cpu time spent up to now is 112.1 secs Computing kpt #: 323 total cpu time spent up to now is 112.5 secs Computing kpt #: 324 total cpu time spent up to now is 112.9 secs Computing kpt #: 325 total cpu time spent up to now is 113.2 secs Computing kpt #: 326 total cpu time spent up to now is 113.6 secs Computing kpt #: 327 total cpu time spent up to now is 114.0 secs Computing kpt #: 328 total cpu time spent up to now is 114.3 secs Computing kpt #: 329 total cpu time spent up to now is 114.7 secs Computing kpt #: 330 total cpu time spent up to now is 115.1 secs Computing kpt #: 331 total cpu time spent up to now is 115.4 secs Computing kpt #: 332 total cpu time spent up to now is 115.8 secs Computing kpt #: 333 total cpu time spent up to now is 116.2 secs Computing kpt #: 334 total cpu time spent up to now is 116.4 secs Computing kpt #: 335 total cpu time spent up to now is 116.7 secs Computing kpt #: 336 total cpu time spent up to now is 117.0 secs Computing kpt #: 337 total cpu time spent up to now is 117.3 secs Computing kpt #: 338 total cpu time spent up to now is 117.6 secs Computing kpt #: 339 total cpu time spent up to now is 117.9 secs Computing kpt #: 340 total cpu time spent up to now is 118.2 secs Computing kpt #: 341 total cpu time spent up to now is 118.4 secs Computing kpt #: 342 total cpu time spent up to now is 118.7 secs Computing kpt #: 343 total cpu time spent up to now is 119.0 secs Computing kpt #: 344 total cpu time spent up to now is 119.3 secs Computing kpt #: 345 total cpu time spent up to now is 119.6 secs Computing kpt #: 346 total cpu time spent up to now is 119.9 secs Computing kpt #: 347 total cpu time spent up to now is 120.2 secs Computing kpt #: 348 total cpu time spent up to now is 120.5 secs Computing kpt #: 349 total cpu time spent up to now is 120.8 secs Computing kpt #: 350 total cpu time spent up to now is 121.1 secs Computing kpt #: 351 total cpu time spent up to now is 121.4 secs Computing kpt #: 352 total cpu time spent up to now is 121.7 secs Computing kpt #: 353 total cpu time spent up to now is 122.0 secs Computing kpt #: 354 total cpu time spent up to now is 122.3 secs Computing kpt #: 355 total cpu time spent up to now is 122.6 secs Computing kpt #: 356 total cpu time spent up to now is 122.9 secs Computing kpt #: 357 total cpu time spent up to now is 123.2 secs Computing kpt #: 358 total cpu time spent up to now is 123.5 secs Computing kpt #: 359 total cpu time spent up to now is 123.8 secs Computing kpt #: 360 total cpu time spent up to now is 124.1 secs Computing kpt #: 361 total cpu time spent up to now is 124.4 secs Computing kpt #: 362 total cpu time spent up to now is 124.7 secs Computing kpt #: 363 total cpu time spent up to now is 125.0 secs Computing kpt #: 364 total cpu time spent up to now is 125.4 secs Computing kpt #: 365 total cpu time spent up to now is 125.7 secs Computing kpt #: 366 total cpu time spent up to now is 126.0 secs Computing kpt #: 367 total cpu time spent up to now is 126.3 secs Computing kpt #: 368 total cpu time spent up to now is 126.7 secs Computing kpt #: 369 total cpu time spent up to now is 127.0 secs Computing kpt #: 370 total cpu time spent up to now is 127.3 secs Computing kpt #: 371 total cpu time spent up to now is 127.7 secs Computing kpt #: 372 total cpu time spent up to now is 128.0 secs Computing kpt #: 373 total cpu time spent up to now is 128.3 secs Computing kpt #: 374 total cpu time spent up to now is 128.6 secs Computing kpt #: 375 total cpu time spent up to now is 128.9 secs ethr = 2.27E-08, avg # of iterations = 16.4 total cpu time spent up to now is 128.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3817 PWs) bands (ev): -41.7566 -41.7566 -41.7519 -41.7519 -19.4363 -19.4363 -19.3977 -19.3977 -17.4271 -17.4271 -17.3480 -17.3480 -17.3118 -17.3118 -17.2889 -17.2889 -0.7647 -0.7647 1.7776 1.7776 1.8280 1.8280 7.5257 7.5257 8.5359 8.5359 8.5604 8.5604 8.6476 8.6476 8.7944 8.7944 9.5585 9.5585 12.0176 12.0176 12.0381 12.0381 12.1830 12.1830 12.2332 12.2332 12.7600 12.7600 13.6443 13.6443 13.9668 13.9668 14.9681 14.9681 15.2592 15.2592 k = 0.0000 0.0111-0.0000 ( 3825 PWs) bands (ev): -41.7565 -41.7565 -41.7521 -41.7521 -19.4363 -19.4363 -19.3978 -19.3978 -17.4271 -17.4271 -17.3481 -17.3481 -17.3119 -17.3119 -17.2890 -17.2890 -0.7631 -0.7631 1.7782 1.7782 1.8292 1.8292 7.5143 7.5143 8.4986 8.4986 8.5858 8.5858 8.6693 8.6693 8.7959 8.7959 9.5586 9.5586 12.0090 12.0090 12.0364 12.0364 12.1806 12.1806 12.2229 12.2229 12.7734 12.7734 13.6409 13.6409 13.9713 13.9713 14.9670 14.9670 15.2567 15.2567 k = 0.0000 0.0222-0.0000 ( 3833 PWs) bands (ev): -41.7566 -41.7566 -41.7521 -41.7521 -19.4364 -19.4364 -19.3979 -19.3979 -17.4271 -17.4271 -17.3482 -17.3482 -17.3122 -17.3122 -17.2894 -17.2894 -0.7585 -0.7585 1.7802 1.7802 1.8326 1.8326 7.4811 7.4811 8.4540 8.4540 8.6009 8.6009 8.7270 8.7270 8.8007 8.8007 9.5592 9.5592 11.9838 11.9838 12.0304 12.0304 12.1733 12.1733 12.1963 12.1963 12.8102 12.8102 13.6310 13.6310 13.9850 13.9850 14.9625 14.9625 15.2510 15.2510 k = 0.0000 0.0333-0.0000 ( 3837 PWs) bands (ev): -41.7566 -41.7566 -41.7520 -41.7520 -19.4366 -19.4366 -19.3982 -19.3982 -17.4271 -17.4271 -17.3484 -17.3484 -17.3127 -17.3127 -17.2899 -17.2899 -0.7507 -0.7507 1.7835 1.7835 1.8382 1.8382 7.4280 7.4280 8.4149 8.4149 8.6102 8.6102 8.7932 8.7932 8.8167 8.8167 9.5600 9.5600 11.9429 11.9429 12.0196 12.0196 12.1570 12.1570 12.1655 12.1655 12.8626 12.8626 13.6154 13.6154 14.0074 14.0074 14.9509 14.9509 15.2471 15.2471 k = 0.0000 0.0444-0.0000 ( 3841 PWs) bands (ev): -41.7565 -41.7565 -41.7520 -41.7520 -19.4368 -19.4368 -19.3986 -19.3986 -17.4271 -17.4271 -17.3487 -17.3487 -17.3133 -17.3133 -17.2906 -17.2906 -0.7398 -0.7398 1.7881 1.7881 1.8461 1.8461 7.3580 7.3580 8.3816 8.3816 8.6196 8.6196 8.8127 8.8127 8.8903 8.8903 9.5609 9.5609 11.8879 11.8879 12.0040 12.0040 12.1209 12.1209 12.1471 12.1471 12.9237 12.9237 13.5949 13.5949 14.0380 14.0380 14.9283 14.9283 15.2498 15.2498 k = 0.0000 0.0556-0.0000 ( 3847 PWs) bands (ev): -41.7564 -41.7564 -41.7520 -41.7520 -19.4371 -19.4371 -19.3990 -19.3990 -17.4272 -17.4272 -17.3490 -17.3490 -17.3142 -17.3142 -17.2915 -17.2915 -0.7259 -0.7259 1.7940 1.7940 1.8562 1.8562 7.2741 7.2741 8.3529 8.3529 8.6305 8.6305 8.8255 8.8255 8.9782 8.9782 9.5619 9.5619 11.8222 11.8222 11.9841 11.9841 12.0819 12.0819 12.1263 12.1263 12.9888 12.9888 13.5706 13.5706 14.0762 14.0762 14.8929 14.8929 15.2609 15.2609 k = 0.0000 0.0667-0.0000 ( 3845 PWs) bands (ev): -41.7563 -41.7563 -41.7518 -41.7518 -19.4374 -19.4374 -19.3996 -19.3996 -17.4272 -17.4272 -17.3495 -17.3495 -17.3152 -17.3152 -17.2926 -17.2926 -0.7088 -0.7088 1.8012 1.8012 1.8685 1.8685 7.1791 7.1791 8.3271 8.3271 8.6434 8.6434 8.8402 8.8402 9.0701 9.0701 9.5627 9.5627 11.7497 11.7497 11.9599 11.9599 12.0419 12.0419 12.1014 12.1014 13.0549 13.0549 13.5438 13.5438 14.1213 14.1213 14.8462 14.8462 15.2774 15.2774 k = 0.0000 0.0778-0.0000 ( 3841 PWs) bands (ev): -41.7561 -41.7561 -41.7517 -41.7517 -19.4378 -19.4378 -19.4003 -19.4003 -17.4273 -17.4273 -17.3501 -17.3501 -17.3163 -17.3163 -17.2939 -17.2939 -0.6887 -0.6887 1.8098 1.8098 1.8828 1.8828 7.0753 7.0753 8.3030 8.3030 8.6584 8.6584 8.8574 8.8574 9.1643 9.1643 9.5631 9.5631 11.6736 11.6736 11.9319 11.9319 12.0008 12.0008 12.0726 12.0726 13.1200 13.1200 13.5154 13.5154 14.1726 14.1726 14.7908 14.7908 15.2916 15.2916 k = 0.0000 0.0889-0.0000 ( 3839 PWs) bands (ev): -41.7559 -41.7559 -41.7515 -41.7515 -19.4383 -19.4383 -19.4011 -19.4011 -17.4274 -17.4274 -17.3508 -17.3508 -17.3176 -17.3176 -17.2952 -17.2952 -0.6656 -0.6656 1.8197 1.8197 1.8991 1.8991 6.9645 6.9645 8.2796 8.2796 8.6755 8.6755 8.8769 8.8769 9.2600 9.2600 9.5628 9.5628 11.5965 11.5965 11.9002 11.9002 11.9583 11.9583 12.0400 12.0400 13.1825 13.1825 13.4867 13.4867 14.2295 14.2295 14.7295 14.7295 15.2907 15.2907 k = 0.0000 0.1000-0.0000 ( 3835 PWs) bands (ev): -41.7556 -41.7556 -41.7513 -41.7513 -19.4388 -19.4388 -19.4019 -19.4019 -17.4275 -17.4275 -17.3517 -17.3517 -17.3190 -17.3190 -17.2967 -17.2967 -0.6394 -0.6394 1.8308 1.8308 1.9174 1.9174 6.8481 6.8481 8.2558 8.2558 8.6947 8.6947 8.8990 8.8990 9.3565 9.3565 9.5618 9.5618 11.5202 11.5202 11.8653 11.8653 11.9147 11.9147 12.0041 12.0041 13.2411 13.2411 13.4588 13.4588 14.2913 14.2913 14.6646 14.6646 15.2646 15.2646 k = 0.0000 0.1111-0.0000 ( 3841 PWs) bands (ev): -41.7555 -41.7555 -41.7511 -41.7511 -19.4394 -19.4394 -19.4029 -19.4029 -17.4276 -17.4276 -17.3527 -17.3527 -17.3205 -17.3205 -17.2983 -17.2983 -0.6102 -0.6102 1.8433 1.8433 1.9376 1.9376 6.7273 6.7273 8.2309 8.2309 8.7161 8.7161 8.9234 8.9234 9.4520 9.4520 9.5608 9.5608 11.4460 11.4460 11.8274 11.8274 11.8702 11.8702 11.9654 11.9654 13.2934 13.2934 13.4336 13.4336 14.3570 14.3570 14.5981 14.5981 15.2166 15.2166 k = 0.0000 0.1222-0.0000 ( 3837 PWs) bands (ev): -41.7552 -41.7552 -41.7509 -41.7509 -19.4400 -19.4400 -19.4039 -19.4039 -17.4279 -17.4279 -17.3540 -17.3540 -17.3220 -17.3220 -17.2999 -17.2999 -0.5780 -0.5780 1.8570 1.8570 1.9596 1.9596 6.6029 6.6029 8.2046 8.2046 8.7396 8.7396 8.9502 8.9502 9.5302 9.5302 9.5756 9.5756 11.3752 11.3752 11.7867 11.7867 11.8251 11.8251 11.9245 11.9245 13.3326 13.3326 13.4179 13.4179 14.4245 14.4245 14.5333 14.5333 15.1553 15.1553 k = 0.0000 0.1333-0.0000 ( 3815 PWs) bands (ev): -41.7548 -41.7548 -41.7505 -41.7505 -19.4407 -19.4407 -19.4051 -19.4051 -17.4281 -17.4281 -17.3554 -17.3554 -17.3236 -17.3236 -17.3016 -17.3016 -0.5428 -0.5428 1.8720 1.8720 1.9833 1.9833 6.4755 6.4755 8.1763 8.1763 8.7651 8.7651 8.9793 8.9793 9.5382 9.5382 9.6585 9.6585 11.3087 11.3087 11.7436 11.7436 11.7799 11.7799 11.8822 11.8822 13.3408 13.3408 13.4292 13.4292 14.4503 14.4503 14.5143 14.5143 15.0862 15.0862 k = 0.0000 0.1444-0.0000 ( 3813 PWs) bands (ev): -41.7545 -41.7545 -41.7502 -41.7502 -19.4414 -19.4414 -19.4063 -19.4063 -17.4285 -17.4285 -17.3570 -17.3570 -17.3252 -17.3252 -17.3032 -17.3032 -0.5047 -0.5047 1.8882 1.8882 2.0086 2.0086 6.3458 6.3458 8.1457 8.1457 8.7926 8.7926 9.0105 9.0105 9.5295 9.5295 9.7551 9.7551 11.2473 11.2473 11.6982 11.6982 11.7348 11.7348 11.8393 11.8393 13.3243 13.3243 13.4607 13.4607 14.3918 14.3918 14.5840 14.5840 15.0120 15.0120 k = 0.0000 0.1556-0.0000 ( 3813 PWs) bands (ev): -41.7542 -41.7542 -41.7500 -41.7500 -19.4421 -19.4421 -19.4076 -19.4076 -17.4289 -17.4289 -17.3589 -17.3589 -17.3268 -17.3268 -17.3048 -17.3048 -0.4637 -0.4637 1.9056 1.9056 2.0353 2.0353 6.2141 6.2141 8.1128 8.1128 8.8221 8.8221 9.0437 9.0437 9.5160 9.5160 9.8530 9.8530 11.1917 11.1917 11.6505 11.6505 11.6902 11.6902 11.7969 11.7969 13.3014 13.3014 13.4936 13.4936 14.3295 14.3295 14.6628 14.6628 14.9346 14.9346 k = 0.0000 0.1667-0.0000 ( 3793 PWs) bands (ev): -41.7537 -41.7537 -41.7495 -41.7495 -19.4429 -19.4429 -19.4089 -19.4089 -17.4294 -17.4294 -17.3611 -17.3611 -17.3283 -17.3283 -17.3063 -17.3063 -0.4198 -0.4198 1.9243 1.9243 2.0634 2.0634 6.0808 6.0808 8.0772 8.0772 8.8534 8.8534 9.0788 9.0788 9.4984 9.4984 9.9508 9.9508 11.1426 11.1426 11.6007 11.6007 11.6463 11.6463 11.7562 11.7562 13.2768 13.2768 13.5226 13.5226 14.2694 14.2694 14.7448 14.7448 14.8554 14.8554 k = 0.0000 0.1778-0.0000 ( 3805 PWs) bands (ev): -41.7534 -41.7534 -41.7495 -41.7495 -19.4437 -19.4437 -19.4104 -19.4104 -17.4301 -17.4301 -17.3635 -17.3635 -17.3298 -17.3298 -17.3078 -17.3078 -0.3731 -0.3731 1.9441 1.9441 2.0927 2.0927 5.9463 5.9463 8.0392 8.0392 8.8866 8.8866 9.1152 9.1152 9.4768 9.4768 10.0481 10.0481 11.1006 11.1006 11.5488 11.5488 11.6033 11.6033 11.7183 11.7183 13.2517 13.2517 13.5460 13.5460 14.2124 14.2124 14.7754 14.7754 14.8292 14.8292 k = 0.0000 0.1889-0.0000 ( 3811 PWs) bands (ev): -41.7531 -41.7531 -41.7492 -41.7492 -19.4446 -19.4446 -19.4119 -19.4119 -17.4308 -17.4308 -17.3661 -17.3661 -17.3313 -17.3313 -17.3091 -17.3091 -0.3235 -0.3235 1.9650 1.9650 2.1230 2.1230 5.8109 5.8109 7.9987 7.9987 8.9215 8.9215 9.1524 9.1524 9.4514 9.4514 10.1441 10.1441 11.0663 11.0663 11.4950 11.4950 11.5615 11.5615 11.6841 11.6841 13.2260 13.2260 13.5630 13.5630 14.1591 14.1591 14.6956 14.6956 14.9156 14.9156 k = 0.0000 0.2000-0.0000 ( 3811 PWs) bands (ev): -41.7527 -41.7527 -41.7490 -41.7490 -19.4454 -19.4454 -19.4135 -19.4135 -17.4316 -17.4316 -17.3690 -17.3690 -17.3326 -17.3326 -17.3104 -17.3104 -0.2712 -0.2712 1.9870 1.9870 2.1542 2.1542 5.6747 5.6747 7.9559 7.9559 8.9580 8.9580 9.1887 9.1887 9.4235 9.4235 10.2382 10.2382 11.0406 11.0406 11.4393 11.4393 11.5211 11.5211 11.6542 11.6542 13.1996 13.1996 13.5732 13.5732 14.1099 14.1099 14.6171 14.6171 15.0034 15.0034 k = 0.0000 0.2111-0.0000 ( 3803 PWs) bands (ev): -41.7523 -41.7523 -41.7486 -41.7486 -19.4463 -19.4463 -19.4151 -19.4151 -17.4326 -17.4326 -17.3721 -17.3721 -17.3338 -17.3338 -17.3115 -17.3115 -0.2160 -0.2160 2.0101 2.0101 2.1861 2.1861 5.5380 5.5380 7.9111 7.9111 8.9960 8.9960 9.2198 9.2198 9.3973 9.3973 10.3293 10.3293 11.0243 11.0243 11.3823 11.3823 11.4825 11.4825 11.6291 11.6291 13.1722 13.1722 13.5762 13.5762 14.0648 14.0648 14.5407 14.5407 15.0913 15.0913 k = 0.0000 0.2222-0.0000 ( 3797 PWs) bands (ev): -41.7518 -41.7518 -41.7483 -41.7483 -19.4472 -19.4472 -19.4168 -19.4168 -17.4337 -17.4337 -17.3754 -17.3754 -17.3348 -17.3348 -17.3126 -17.3126 -0.1582 -0.1582 2.0342 2.0342 2.2185 2.2185 5.4011 5.4011 7.8647 7.8647 9.0352 9.0352 9.2344 9.2344 9.3841 9.3841 10.4158 10.4158 11.0187 11.0187 11.3242 11.3242 11.4459 11.4459 11.6089 11.6089 13.1435 13.1435 13.5717 13.5717 14.0239 14.0239 14.4675 14.4675 15.1730 15.1730 k = 0.0000 0.2333-0.0000 ( 3791 PWs) bands (ev): -41.7514 -41.7514 -41.7480 -41.7480 -19.4480 -19.4480 -19.4185 -19.4185 -17.4348 -17.4348 -17.3789 -17.3789 -17.3358 -17.3358 -17.3135 -17.3135 -0.0977 -0.0977 2.0594 2.0594 2.2513 2.2513 5.2640 5.2640 7.8169 7.8169 9.0751 9.0751 9.2190 9.2190 9.3977 9.3977 10.4957 10.4957 11.0253 11.0253 11.2656 11.2656 11.4117 11.4117 11.5936 11.5936 13.1132 13.1132 13.5596 13.5596 13.9868 13.9868 14.3985 14.3985 15.2062 15.2062 k = 0.0000 0.2444-0.0000 ( 3789 PWs) bands (ev): -41.7510 -41.7510 -41.7477 -41.7477 -19.4489 -19.4489 -19.4202 -19.4202 -17.4361 -17.4361 -17.3826 -17.3826 -17.3366 -17.3366 -17.3144 -17.3144 -0.0346 -0.0346 2.0854 2.0854 2.2841 2.2841 5.1270 5.1270 7.7683 7.7683 9.1126 9.1126 9.1822 9.1822 9.4327 9.4327 10.5666 10.5666 11.0455 11.0455 11.2071 11.2071 11.3802 11.3802 11.5830 11.5830 13.0810 13.0810 13.5399 13.5399 13.9531 13.9531 14.3346 14.3346 15.1711 15.1711 k = 0.0000 0.2556-0.0000 ( 3801 PWs) bands (ev): -41.7506 -41.7506 -41.7475 -41.7475 -19.4498 -19.4498 -19.4220 -19.4220 -17.4375 -17.4375 -17.3864 -17.3864 -17.3372 -17.3372 -17.3151 -17.3151 0.0312 0.0312 2.1123 2.1123 2.3167 2.3167 4.9902 4.9902 7.7194 7.7194 9.1089 9.1089 9.1742 9.1742 9.4779 9.4779 10.6266 10.6266 11.0780 11.0780 11.1515 11.1515 11.3518 11.3518 11.5768 11.5768 13.0464 13.0464 13.5129 13.5129 13.9222 13.9222 14.2768 14.2768 15.1221 15.1221 k = 0.0000 0.2667-0.0000 ( 3805 PWs) bands (ev): -41.7503 -41.7503 -41.7473 -41.7473 -19.4507 -19.4507 -19.4239 -19.4239 -17.4390 -17.4390 -17.3902 -17.3902 -17.3377 -17.3377 -17.3158 -17.3158 0.0994 0.0994 2.1401 2.1401 2.3490 2.3490 4.8538 4.8538 7.6706 7.6706 9.0515 9.0515 9.2126 9.2126 9.5282 9.5282 10.6755 10.6755 11.0782 11.0782 11.1426 11.1426 11.3272 11.3272 11.5748 11.5748 13.0093 13.0093 13.4789 13.4789 13.8935 13.8935 14.2258 14.2258 15.0709 15.0709 k = 0.0000 0.2778-0.0000 ( 3805 PWs) bands (ev): -41.7499 -41.7499 -41.7470 -41.7470 -19.4515 -19.4515 -19.4257 -19.4257 -17.4405 -17.4405 -17.3942 -17.3942 -17.3381 -17.3381 -17.3165 -17.3165 0.1702 0.1702 2.1686 2.1686 2.3805 2.3805 4.7179 4.7179 7.6226 7.6226 8.9835 8.9835 9.2565 9.2565 9.5817 9.5817 10.7150 10.7150 11.0248 11.0248 11.1973 11.1973 11.3088 11.3088 11.5765 11.5765 12.9696 12.9696 13.4386 13.4386 13.8661 13.8661 14.1820 14.1820 15.0203 15.0203 k = 0.0000 0.2889-0.0000 ( 3803 PWs) bands (ev): -41.7495 -41.7495 -41.7467 -41.7467 -19.4523 -19.4523 -19.4275 -19.4275 -17.4420 -17.4420 -17.3981 -17.3981 -17.3383 -17.3383 -17.3170 -17.3170 0.2435 0.2435 2.1979 2.1979 2.4111 2.4111 4.5828 4.5828 7.5758 7.5758 8.9101 8.9101 9.3019 9.3019 9.6377 9.6377 10.7476 10.7476 10.9683 10.9683 11.2465 11.2465 11.3120 11.3120 11.5815 11.5815 12.9268 12.9268 13.3928 13.3928 13.8393 13.8393 14.1457 14.1457 14.9720 14.9720 k = 0.0000 0.3000-0.0000 ( 3805 PWs) bands (ev): -41.7491 -41.7491 -41.7465 -41.7465 -19.4531 -19.4531 -19.4294 -19.4294 -17.4436 -17.4436 -17.4021 -17.4021 -17.3384 -17.3384 -17.3176 -17.3176 0.3192 0.3192 2.2278 2.2278 2.4404 2.4404 4.4485 4.4485 7.5308 7.5308 8.8327 8.8327 9.3480 9.3480 9.6956 9.6956 10.7756 10.7756 10.9124 10.9124 11.2524 11.2524 11.3678 11.3678 11.5893 11.5893 12.8811 12.8811 13.3426 13.3426 13.8121 13.8121 14.1170 14.1170 14.9278 14.9278 k = 0.0000 0.3111-0.0000 ( 3805 PWs) bands (ev): -41.7487 -41.7487 -41.7462 -41.7462 -19.4538 -19.4538 -19.4312 -19.4312 -17.4452 -17.4452 -17.4061 -17.4061 -17.3383 -17.3383 -17.3181 -17.3181 0.3972 0.3972 2.2582 2.2582 2.4681 2.4681 4.3153 4.3153 7.4881 7.4881 8.7522 8.7522 9.3946 9.3946 9.7552 9.7552 10.7989 10.7989 10.8597 10.8597 11.2448 11.2448 11.4429 11.4429 11.5997 11.5997 12.8324 12.8324 13.2892 13.2892 13.7835 13.7835 14.0961 14.0961 14.8890 14.8890 k = 0.0000 0.3222-0.0000 ( 3805 PWs) bands (ev): -41.7484 -41.7484 -41.7459 -41.7459 -19.4545 -19.4545 -19.4330 -19.4330 -17.4467 -17.4467 -17.4100 -17.4100 -17.3382 -17.3382 -17.3186 -17.3186 0.4775 0.4775 2.2891 2.2891 2.4938 2.4938 4.1834 4.1834 7.4482 7.4482 8.6695 8.6695 9.4412 9.4412 9.8162 9.8162 10.7917 10.7917 10.8371 10.8371 11.2384 11.2384 11.5201 11.5201 11.6123 11.6123 12.7806 12.7806 13.2338 13.2338 13.7525 13.7525 14.0830 14.0830 14.8572 14.8572 k = 0.0000 0.3333-0.0000 ( 3801 PWs) bands (ev): -41.7479 -41.7479 -41.7457 -41.7457 -19.4551 -19.4551 -19.4348 -19.4348 -17.4482 -17.4482 -17.4139 -17.4139 -17.3379 -17.3379 -17.3191 -17.3191 0.5601 0.5601 2.3203 2.3203 2.5172 2.5172 4.0529 4.0529 7.4117 7.4117 8.5852 8.5852 9.4878 9.4878 9.8785 9.8785 10.7433 10.7433 10.8560 10.8560 11.2354 11.2354 11.5951 11.5951 11.6272 11.6272 12.7259 12.7259 13.1776 13.1776 13.7182 13.7182 14.0781 14.0781 14.8336 14.8336 k = 0.0000 0.3444-0.0000 ( 3797 PWs) bands (ev): -41.7475 -41.7475 -41.7455 -41.7455 -19.4557 -19.4557 -19.4366 -19.4366 -17.4497 -17.4497 -17.4177 -17.4177 -17.3375 -17.3375 -17.3195 -17.3195 0.6450 0.6450 2.3519 2.3519 2.5377 2.5377 3.9243 3.9243 7.3790 7.3790 8.5000 8.5000 9.5341 9.5341 9.9419 9.9419 10.6921 10.6921 10.8781 10.8781 11.2364 11.2364 11.6411 11.6411 11.6685 11.6685 12.6684 12.6684 13.1219 13.1219 13.6796 13.6796 14.0820 14.0820 14.8188 14.8188 k = 0.0000 0.3556-0.0000 ( 3799 PWs) bands (ev): -41.7472 -41.7472 -41.7453 -41.7453 -19.4562 -19.4562 -19.4383 -19.4383 -17.4511 -17.4511 -17.4214 -17.4214 -17.3371 -17.3371 -17.3200 -17.3200 0.7319 0.7319 2.3836 2.3836 2.5550 2.5550 3.7978 3.7978 7.3506 7.3506 8.4143 8.4143 9.5799 9.5799 10.0062 10.0062 10.6416 10.6416 10.8996 10.8996 11.2417 11.2417 11.6588 11.6588 11.7335 11.7335 12.6084 12.6084 13.0678 13.0678 13.6364 13.6364 14.0951 14.0951 14.8132 14.8132 k = 0.0000 0.3667-0.0000 ( 3795 PWs) bands (ev): -41.7468 -41.7468 -41.7451 -41.7451 -19.4566 -19.4566 -19.4400 -19.4400 -17.4523 -17.4523 -17.4250 -17.4250 -17.3366 -17.3366 -17.3205 -17.3205 0.8209 0.8209 2.4152 2.4152 2.5683 2.5683 3.6739 3.6739 7.3267 7.3267 8.3288 8.3288 9.6250 9.6250 10.0712 10.0712 10.5924 10.5924 10.9198 10.9198 11.2516 11.2516 11.6771 11.6771 11.7921 11.7921 12.5461 12.5461 13.0164 13.0164 13.5885 13.5885 14.1182 14.1182 14.8165 14.8165 k = 0.0000 0.3778-0.0000 ( 3803 PWs) bands (ev): -41.7466 -41.7466 -41.7450 -41.7450 -19.4570 -19.4570 -19.4417 -19.4417 -17.4535 -17.4535 -17.4284 -17.4284 -17.3360 -17.3360 -17.3210 -17.3210 0.9119 0.9119 2.4467 2.4467 2.5770 2.5770 3.5533 3.5533 7.3079 7.3079 8.2439 8.2439 9.6693 9.6693 10.1366 10.1366 10.5445 10.5445 10.9379 10.9379 11.2661 11.2661 11.6963 11.6963 11.8427 11.8427 12.4817 12.4817 12.9687 12.9687 13.5362 13.5362 14.1515 14.1515 14.8279 14.8279 k = 0.0000 0.3889-0.0000 ( 3797 PWs) bands (ev): -41.7462 -41.7462 -41.7448 -41.7448 -19.4573 -19.4573 -19.4433 -19.4433 -17.4545 -17.4545 -17.4317 -17.4317 -17.3353 -17.3353 -17.3215 -17.3215 1.0049 1.0049 2.4778 2.4778 2.5803 2.5803 3.4369 3.4369 7.2943 7.2943 8.1601 8.1601 9.7126 9.7126 10.2024 10.2024 10.4981 10.4981 10.9532 10.9532 11.2852 11.2852 11.7162 11.7162 11.8846 11.8846 12.4157 12.4157 12.9259 12.9259 13.4802 13.4802 14.1953 14.1953 14.8461 14.8461 k = 0.0000 0.4000-0.0000 ( 3805 PWs) bands (ev): -41.7460 -41.7460 -41.7447 -41.7447 -19.4575 -19.4575 -19.4448 -19.4448 -17.4553 -17.4553 -17.4349 -17.4349 -17.3347 -17.3347 -17.3220 -17.3220 1.0997 1.0997 2.5075 2.5075 2.5774 2.5774 3.3259 3.3259 7.2862 7.2862 8.0780 8.0780 9.7549 9.7549 10.2680 10.2680 10.4532 10.4532 10.9647 10.9647 11.3091 11.3091 11.7368 11.7368 11.9177 11.9177 12.3485 12.3485 12.8889 12.8889 13.4212 13.4212 14.2491 14.2491 14.8693 14.8693 k = 0.0000 0.4111-0.0000 ( 3790 PWs) bands (ev): -41.7456 -41.7456 -41.7445 -41.7445 -19.4576 -19.4576 -19.4463 -19.4463 -17.4560 -17.4560 -17.4378 -17.4378 -17.3339 -17.3339 -17.3225 -17.3225 1.1962 1.1962 2.5316 2.5316 2.5710 2.5710 3.2221 3.2221 7.2839 7.2839 7.9980 7.9980 9.7962 9.7962 10.3328 10.3328 10.4103 10.4103 10.9716 10.9716 11.3377 11.3377 11.7579 11.7579 11.9418 11.9418 12.2805 12.2805 12.8588 12.8588 13.3603 13.3603 14.3123 14.3123 14.8957 14.8957 k = 0.0000 0.4222-0.0000 ( 3784 PWs) bands (ev): -41.7453 -41.7453 -41.7443 -41.7443 -19.4576 -19.4576 -19.4476 -19.4476 -17.4565 -17.4565 -17.4406 -17.4406 -17.3332 -17.3332 -17.3231 -17.3231 1.2943 1.2943 2.5268 2.5268 2.5816 2.5816 3.1278 3.1278 7.2875 7.2875 7.9204 7.9204 9.8363 9.8363 10.3632 10.3632 10.4024 10.4024 10.9732 10.9732 11.3711 11.3711 11.7796 11.7796 11.9571 11.9571 12.2125 12.2125 12.8363 12.8363 13.2984 13.2984 14.3835 14.3835 14.9228 14.9228 k = 0.0000 0.4333-0.0000 ( 3788 PWs) bands (ev): -41.7451 -41.7451 -41.7443 -41.7443 -19.4575 -19.4575 -19.4490 -19.4490 -17.4568 -17.4568 -17.4432 -17.4432 -17.3324 -17.3324 -17.3237 -17.3237 1.3939 1.3939 2.4925 2.4925 2.6077 2.6077 3.0453 3.0453 7.2971 7.2971 7.8457 7.8457 9.8755 9.8755 10.3243 10.3243 10.4642 10.4642 10.9686 10.9686 11.4091 11.4091 11.8015 11.8015 11.9636 11.9636 12.1453 12.1453 12.8220 12.8220 13.2365 13.2365 14.4610 14.4610 14.9482 14.9482 k = 0.0000 0.4444-0.0000 ( 3776 PWs) bands (ev): -41.7449 -41.7449 -41.7441 -41.7441 -19.4573 -19.4573 -19.4502 -19.4502 -17.4569 -17.4569 -17.4455 -17.4455 -17.3316 -17.3316 -17.3243 -17.3243 1.4948 1.4948 2.4402 2.4402 2.6360 2.6360 2.9762 2.9762 7.3127 7.3127 7.7743 7.7743 9.9137 9.9137 10.2845 10.2845 10.5267 10.5267 10.9574 10.9574 11.4516 11.4516 11.8238 11.8238 11.9602 11.9602 12.0814 12.0814 12.8165 12.8165 13.1755 13.1755 14.5426 14.5426 14.9690 14.9690 k = 0.0000 0.4556-0.0000 ( 3776 PWs) bands (ev): -41.7447 -41.7447 -41.7440 -41.7440 -19.4571 -19.4571 -19.4514 -19.4514 -17.4568 -17.4568 -17.4477 -17.4477 -17.3308 -17.3308 -17.3249 -17.3249 1.5967 1.5967 2.3726 2.3726 2.6644 2.6644 2.9202 2.9202 7.3343 7.3343 7.7065 7.7065 9.9512 9.9512 10.2456 10.2456 10.5876 10.5876 10.9394 10.9394 11.4984 11.4984 11.8460 11.8460 11.9419 11.9419 12.0273 12.0273 12.8200 12.8200 13.1165 13.1165 14.6256 14.6256 14.9821 14.9821 k = 0.0000 0.4667-0.0000 ( 3774 PWs) bands (ev): -41.7445 -41.7445 -41.7440 -41.7440 -19.4567 -19.4567 -19.4524 -19.4524 -17.4564 -17.4564 -17.4496 -17.4496 -17.3301 -17.3301 -17.3256 -17.3256 1.6994 1.6994 2.2922 2.2922 2.6924 2.6924 2.8752 2.8752 7.3619 7.3619 7.6428 7.6428 9.9881 9.9881 10.2075 10.2075 10.6462 10.6462 10.9145 10.9145 11.5491 11.5491 11.8681 11.8681 11.9006 11.9006 11.9921 11.9921 12.8322 12.8322 13.0602 13.0602 14.7070 14.7070 14.9846 14.9846 k = 0.0000 0.4778-0.0000 ( 3768 PWs) bands (ev): -41.7443 -41.7443 -41.7440 -41.7440 -19.4562 -19.4562 -19.4534 -19.4534 -17.4559 -17.4559 -17.4513 -17.4513 -17.3293 -17.3293 -17.3263 -17.3263 1.8024 1.8024 2.2026 2.2026 2.7202 2.7202 2.8379 2.8379 7.3953 7.3953 7.5834 7.5834 10.0245 10.0245 10.1702 10.1702 10.7019 10.7019 10.8830 10.8830 11.6035 11.6035 11.8435 11.8435 11.8899 11.8899 11.9700 11.9700 12.8530 12.8530 13.0077 13.0077 14.7832 14.7832 14.9739 14.9739 k = 0.0000 0.4889-0.0000 ( 3766 PWs) bands (ev): -41.7442 -41.7442 -41.7440 -41.7440 -19.4557 -19.4557 -19.4542 -19.4542 -17.4551 -17.4551 -17.4528 -17.4528 -17.3285 -17.3285 -17.3270 -17.3270 1.9052 1.9052 2.1068 2.1068 2.7479 2.7479 2.8055 2.8055 7.4343 7.4343 7.5286 7.5286 10.0607 10.0607 10.1334 10.1334 10.7542 10.7542 10.8454 10.8454 11.6608 11.6608 11.7822 11.7822 11.9111 11.9111 11.9508 11.9508 12.8816 12.8816 12.9599 12.9599 14.8509 14.8509 14.9480 14.9480 k = 0.0000 0.5000-0.0000 ( 3766 PWs) bands (ev): -41.7441 -41.7441 -41.7441 -41.7441 -19.4550 -19.4550 -19.4550 -19.4550 -17.4541 -17.4541 -17.4541 -17.4541 -17.3277 -17.3277 -17.3277 -17.3277 2.0071 2.0071 2.0071 2.0071 2.7760 2.7760 2.7760 2.7760 7.4789 7.4789 7.4789 7.4789 10.0970 10.0970 10.0970 10.0970 10.8022 10.8022 10.8022 10.8022 11.7207 11.7207 11.7207 11.7207 11.9314 11.9314 11.9314 11.9314 12.9175 12.9175 12.9175 12.9175 14.9066 14.9066 14.9066 14.9066 k = 0.0000 0.5000-0.0000 ( 3766 PWs) bands (ev): -41.7441 -41.7441 -41.7441 -41.7441 -19.4550 -19.4550 -19.4550 -19.4550 -17.4541 -17.4541 -17.4541 -17.4541 -17.3277 -17.3277 -17.3277 -17.3277 2.0071 2.0071 2.0071 2.0071 2.7760 2.7760 2.7760 2.7760 7.4789 7.4789 7.4789 7.4789 10.0970 10.0970 10.0970 10.0970 10.8022 10.8022 10.8022 10.8022 11.7207 11.7207 11.7207 11.7207 11.9314 11.9314 11.9314 11.9314 12.9175 12.9175 12.9175 12.9175 14.9066 14.9066 14.9066 14.9066 k = 0.0111 0.5000-0.0000 ( 3766 PWs) bands (ev): -41.7441 -41.7441 -41.7441 -41.7441 -19.4553 -19.4553 -19.4547 -19.4547 -17.4541 -17.4541 -17.4540 -17.4540 -17.3283 -17.3283 -17.3274 -17.3274 2.0074 2.0074 2.0085 2.0085 2.7763 2.7763 2.7773 2.7773 7.4802 7.4802 7.4806 7.4806 10.0902 10.0902 10.0903 10.0903 10.7968 10.7968 10.8041 10.8041 11.7153 11.7153 11.7177 11.7177 11.9206 11.9206 11.9443 11.9443 12.9203 12.9203 12.9277 12.9277 14.9066 14.9066 14.9072 14.9072 k = 0.0222 0.5000-0.0000 ( 3770 PWs) bands (ev): -41.7441 -41.7441 -41.7441 -41.7441 -19.4557 -19.4557 -19.4545 -19.4545 -17.4540 -17.4540 -17.4539 -17.4539 -17.3292 -17.3292 -17.3274 -17.3274 2.0094 2.0094 2.0116 2.0116 2.7782 2.7782 2.7800 2.7800 7.4845 7.4845 7.4853 7.4853 10.0703 10.0703 10.0704 10.0704 10.7879 10.7879 10.8022 10.8022 11.7035 11.7035 11.7059 11.7059 11.9126 11.9126 11.9567 11.9567 12.9363 12.9363 12.9503 12.9503 14.9070 14.9070 14.9082 14.9082 k = 0.0333 0.5000-0.0000 ( 3766 PWs) bands (ev): -41.7440 -41.7440 -41.7440 -41.7440 -19.4562 -19.4562 -19.4544 -19.4544 -17.4539 -17.4539 -17.4538 -17.4538 -17.3303 -17.3303 -17.3276 -17.3276 2.0132 2.0132 2.0165 2.0165 2.7816 2.7816 2.7844 2.7844 7.4919 7.4919 7.4931 7.4931 10.0376 10.0376 10.0377 10.0377 10.7757 10.7757 10.7968 10.7968 11.6874 11.6874 11.6879 11.6879 11.9059 11.9059 11.9655 11.9655 12.9652 12.9652 12.9847 12.9847 14.9080 14.9080 14.9097 14.9097 k = 0.0444 0.5000-0.0000 ( 3768 PWs) bands (ev): -41.7439 -41.7439 -41.7439 -41.7439 -19.4567 -19.4567 -19.4543 -19.4543 -17.4538 -17.4538 -17.4536 -17.4536 -17.3316 -17.3316 -17.3281 -17.3281 2.0187 2.0187 2.0230 2.0230 2.7865 2.7865 2.7903 2.7903 7.5022 7.5022 7.5038 7.5038 9.9929 9.9929 9.9930 9.9930 10.7606 10.7606 10.7877 10.7877 11.6650 11.6650 11.6706 11.6706 11.8976 11.8976 11.9683 11.9683 13.0063 13.0063 13.0297 13.0297 14.9094 14.9094 14.9116 14.9116 k = 0.0556 0.5000-0.0000 ( 3774 PWs) bands (ev): -41.7439 -41.7439 -41.7439 -41.7439 -19.4573 -19.4573 -19.4543 -19.4543 -17.4536 -17.4536 -17.4534 -17.4534 -17.3332 -17.3332 -17.3288 -17.3288 2.0258 2.0258 2.0312 2.0312 2.7930 2.7930 2.7977 2.7977 7.5154 7.5154 7.5174 7.5174 9.9372 9.9372 9.9373 9.9373 10.7428 10.7428 10.7752 10.7752 11.6411 11.6411 11.6528 11.6528 11.8855 11.8855 11.9636 11.9636 13.0586 13.0586 13.0844 13.0844 14.9114 14.9114 14.9141 14.9141 k = 0.0667 0.5000-0.0000 ( 3774 PWs) bands (ev): -41.7437 -41.7437 -41.7437 -41.7437 -19.4580 -19.4580 -19.4544 -19.4544 -17.4534 -17.4534 -17.4531 -17.4531 -17.3351 -17.3351 -17.3298 -17.3298 2.0346 2.0346 2.0410 2.0410 2.8010 2.8010 2.8068 2.8068 7.5316 7.5316 7.5339 7.5339 9.8714 9.8714 9.8719 9.8719 10.7225 10.7225 10.7595 10.7595 11.6174 11.6174 11.6354 11.6354 11.8682 11.8682 11.9511 11.9511 13.1203 13.1203 13.1472 13.1472 14.9140 14.9140 14.9171 14.9171 k = 0.0778 0.5000-0.0000 ( 3778 PWs) bands (ev): -41.7436 -41.7436 -41.7436 -41.7436 -19.4587 -19.4587 -19.4546 -19.4546 -17.4531 -17.4531 -17.4528 -17.4528 -17.3371 -17.3371 -17.3310 -17.3310 2.0450 2.0450 2.0523 2.0523 2.8106 2.8106 2.8174 2.8174 7.5505 7.5505 7.5530 7.5530 9.7969 9.7969 9.7979 9.7979 10.7001 10.7001 10.7408 10.7408 11.5946 11.5946 11.6186 11.6186 11.8450 11.8450 11.9306 11.9306 13.1896 13.1896 13.2167 13.2167 14.9170 14.9170 14.9205 14.9205 k = 0.0889 0.5000-0.0000 ( 3778 PWs) bands (ev): -41.7435 -41.7435 -41.7435 -41.7435 -19.4595 -19.4595 -19.4548 -19.4548 -17.4528 -17.4528 -17.4525 -17.4525 -17.3394 -17.3394 -17.3325 -17.3325 2.0570 2.0570 2.0651 2.0651 2.8217 2.8217 2.8295 2.8295 7.5721 7.5721 7.5748 7.5748 9.7148 9.7148 9.7166 9.7166 10.6758 10.6758 10.7195 10.7195 11.5731 11.5731 11.6024 11.6024 11.8158 11.8158 11.9029 11.9029 13.2648 13.2648 13.2914 13.2914 14.9207 14.9207 14.9245 14.9245 k = 0.1000 0.5000-0.0000 ( 3778 PWs) bands (ev): -41.7433 -41.7433 -41.7433 -41.7433 -19.4603 -19.4603 -19.4551 -19.4551 -17.4525 -17.4525 -17.4521 -17.4521 -17.3419 -17.3419 -17.3342 -17.3342 2.0704 2.0704 2.0793 2.0793 2.8344 2.8344 2.8433 2.8433 7.5962 7.5962 7.5991 7.5991 9.6263 9.6263 9.6291 9.6291 10.6499 10.6499 10.6958 10.6958 11.5528 11.5528 11.5865 11.5865 11.7807 11.7807 11.8684 11.8684 13.3439 13.3439 13.3697 13.3697 14.9249 14.9249 14.9290 14.9290 k = 0.1111 0.5000-0.0000 ( 3790 PWs) bands (ev): -41.7432 -41.7432 -41.7432 -41.7432 -19.4611 -19.4611 -19.4555 -19.4555 -17.4521 -17.4521 -17.4517 -17.4517 -17.3445 -17.3445 -17.3362 -17.3362 2.0853 2.0853 2.0949 2.0949 2.8486 2.8486 2.8587 2.8587 7.6228 7.6228 7.6257 7.6257 9.5326 9.5326 9.5366 9.5366 10.6227 10.6227 10.6700 10.6700 11.5336 11.5336 11.5706 11.5706 11.7400 11.7400 11.8280 11.8280 13.4254 13.4254 13.4503 13.4503 14.9298 14.9298 14.9340 14.9340 k = 0.1222 0.5000-0.0000 ( 3802 PWs) bands (ev): -41.7431 -41.7431 -41.7431 -41.7431 -19.4620 -19.4620 -19.4559 -19.4559 -17.4517 -17.4517 -17.4513 -17.4513 -17.3473 -17.3473 -17.3383 -17.3383 2.1016 2.1016 2.1118 2.1118 2.8644 2.8644 2.8757 2.8757 7.6516 7.6516 7.6543 7.6543 9.4347 9.4347 9.4402 9.4402 10.5943 10.5943 10.6425 10.6425 11.5151 11.5151 11.5542 11.5542 11.6944 11.6944 11.7827 11.7827 13.5079 13.5079 13.5319 13.5319 14.9353 14.9353 14.9397 14.9397 k = 0.1333 0.5000-0.0000 ( 3804 PWs) bands (ev): -41.7428 -41.7428 -41.7428 -41.7428 -19.4630 -19.4630 -19.4564 -19.4564 -17.4514 -17.4514 -17.4509 -17.4509 -17.3502 -17.3502 -17.3406 -17.3406 2.1191 2.1191 2.1298 2.1298 2.8818 2.8818 2.8944 2.8944 7.6823 7.6823 7.6849 7.6849 9.3337 9.3337 9.3408 9.3408 10.5651 10.5651 10.6134 10.6134 11.4970 11.4970 11.5365 11.5365 11.6442 11.6442 11.7334 11.7334 13.5902 13.5902 13.6135 13.6135 14.9415 14.9415 14.9459 14.9459 k = 0.1444 0.5000-0.0000 ( 3800 PWs) bands (ev): -41.7426 -41.7426 -41.7425 -41.7425 -19.4639 -19.4639 -19.4570 -19.4570 -17.4509 -17.4509 -17.4505 -17.4505 -17.3533 -17.3533 -17.3431 -17.3431 2.1378 2.1378 2.1489 2.1489 2.9008 2.9008 2.9146 2.9146 7.7147 7.7147 7.7170 7.7170 9.2303 9.2303 9.2392 9.2392 10.5352 10.5352 10.5831 10.5831 11.4788 11.4788 11.5166 11.5166 11.5903 11.5903 11.6816 11.6816 13.6711 13.6711 13.6941 13.6941 14.9484 14.9484 14.9527 14.9527 k = 0.1556 0.5000-0.0000 ( 3808 PWs) bands (ev): -41.7424 -41.7424 -41.7423 -41.7423 -19.4649 -19.4649 -19.4576 -19.4576 -17.4505 -17.4505 -17.4501 -17.4501 -17.3564 -17.3564 -17.3457 -17.3457 2.1575 2.1575 2.1690 2.1690 2.9214 2.9214 2.9365 2.9365 7.7485 7.7485 7.7502 7.7502 9.1256 9.1256 9.1365 9.1365 10.5050 10.5050 10.5519 10.5519 11.4600 11.4600 11.4926 11.4926 11.5335 11.5335 11.6294 11.6294 13.7498 13.7498 13.7728 13.7728 14.9560 14.9560 14.9602 14.9602 k = 0.1667 0.5000-0.0000 ( 3812 PWs) bands (ev): -41.7421 -41.7421 -41.7421 -41.7421 -19.4659 -19.4659 -19.4583 -19.4583 -17.4501 -17.4501 -17.4496 -17.4496 -17.3596 -17.3596 -17.3485 -17.3485 2.1783 2.1783 2.1900 2.1900 2.9436 2.9436 2.9601 2.9601 7.7831 7.7831 7.7842 7.7842 9.0204 9.0204 9.0334 9.0334 10.4746 10.4746 10.5200 10.5200 11.4379 11.4379 11.4616 11.4616 11.4768 11.4768 11.5804 11.5804 13.8257 13.8257 13.8490 13.8490 14.9642 14.9642 14.9683 14.9683 k = 0.1778 0.5000-0.0000 ( 3812 PWs) bands (ev): -41.7418 -41.7418 -41.7418 -41.7418 -19.4670 -19.4670 -19.4591 -19.4591 -17.4497 -17.4497 -17.4493 -17.4493 -17.3629 -17.3629 -17.3513 -17.3513 2.1999 2.1999 2.2117 2.2117 2.9674 2.9674 2.9852 2.9852 7.8179 7.8179 7.8181 7.8181 8.9157 8.9157 8.9310 8.9310 10.4443 10.4443 10.4876 10.4876 11.3982 11.3982 11.4201 11.4201 11.4349 11.4349 11.5383 11.5383 13.8983 13.8983 13.9223 13.9223 14.9731 14.9731 14.9771 14.9771 k = 0.1889 0.5000-0.0000 ( 3812 PWs) bands (ev): -41.7415 -41.7415 -41.7415 -41.7415 -19.4681 -19.4681 -19.4599 -19.4599 -17.4493 -17.4493 -17.4489 -17.4489 -17.3662 -17.3662 -17.3543 -17.3543 2.2222 2.2222 2.2341 2.2341 2.9928 2.9928 3.0120 3.0120 7.8510 7.8510 7.8520 7.8520 8.8126 8.8126 8.8303 8.8303 10.4143 10.4143 10.4549 10.4549 11.3381 11.3381 11.3677 11.3677 11.4111 11.4111 11.5042 11.5042 13.9674 13.9674 13.9923 13.9923 14.9826 14.9826 14.9865 14.9865 k = 0.2000 0.5000-0.0000 ( 3808 PWs) bands (ev): -41.7412 -41.7412 -41.7412 -41.7412 -19.4691 -19.4691 -19.4607 -19.4607 -17.4490 -17.4490 -17.4486 -17.4486 -17.3695 -17.3695 -17.3573 -17.3573 2.2452 2.2452 2.2570 2.2570 3.0198 3.0198 3.0405 3.0405 7.8816 7.8816 7.8839 7.8839 8.7128 8.7128 8.7329 8.7329 10.3847 10.3847 10.4222 10.4222 11.2733 11.2733 11.3075 11.3075 11.3900 11.3900 11.4752 11.4752 14.0327 14.0327 14.0589 14.0589 14.9927 14.9927 14.9966 14.9966 k = 0.2111 0.5000-0.0000 ( 3808 PWs) bands (ev): -41.7409 -41.7409 -41.7408 -41.7408 -19.4702 -19.4702 -19.4616 -19.4616 -17.4486 -17.4486 -17.4483 -17.4483 -17.3727 -17.3727 -17.3604 -17.3604 2.2687 2.2687 2.2802 2.2802 3.0484 3.0484 3.0705 3.0705 7.9078 7.9078 7.9114 7.9114 8.6185 8.6185 8.6410 8.6410 10.3559 10.3559 10.3897 10.3897 11.2073 11.2073 11.2430 11.2430 11.3687 11.3687 11.4485 11.4485 14.0944 14.0944 14.1221 14.1221 15.0033 15.0033 15.0072 15.0072 k = 0.2222 0.5000-0.0000 ( 3804 PWs) bands (ev): -41.7405 -41.7405 -41.7405 -41.7405 -19.4713 -19.4713 -19.4626 -19.4626 -17.4484 -17.4484 -17.4481 -17.4481 -17.3759 -17.3759 -17.3635 -17.3635 2.2925 2.2925 2.3038 2.3038 3.0785 3.0785 3.1021 3.1021 7.9261 7.9261 7.9309 7.9309 8.5334 8.5334 8.5578 8.5578 10.3279 10.3279 10.3575 10.3575 11.1410 11.1410 11.1764 11.1764 11.3469 11.3469 11.4224 11.4224 14.1526 14.1526 14.1818 14.1818 15.0145 15.0145 15.0186 15.0186 k = 0.2333 0.5000-0.0000 ( 3800 PWs) bands (ev): -41.7401 -41.7401 -41.7401 -41.7401 -19.4724 -19.4724 -19.4636 -19.4636 -17.4482 -17.4482 -17.4480 -17.4480 -17.3790 -17.3790 -17.3665 -17.3665 2.3166 2.3166 2.3275 2.3275 3.1102 3.1102 3.1352 3.1352 7.9320 7.9320 7.9370 7.9370 8.4629 8.4629 8.4881 8.4881 10.3010 10.3010 10.3259 10.3259 11.0751 11.0751 11.1093 11.1093 11.3244 11.3244 11.3961 11.3961 14.2076 14.2076 14.2384 14.2384 15.0262 15.0262 15.0306 15.0306 k = 0.2444 0.5000-0.0000 ( 3800 PWs) bands (ev): -41.7398 -41.7398 -41.7398 -41.7398 -19.4734 -19.4734 -19.4646 -19.4646 -17.4480 -17.4480 -17.4480 -17.4480 -17.3820 -17.3820 -17.3696 -17.3696 2.3408 2.3408 2.3512 2.3512 3.1434 3.1434 3.1698 3.1698 7.9197 7.9197 7.9231 7.9231 8.4136 8.4136 8.4375 8.4375 10.2753 10.2753 10.2948 10.2948 11.0104 11.0104 11.0425 11.0425 11.3011 11.3011 11.3691 11.3691 14.2596 14.2596 14.2920 14.2920 15.0384 15.0384 15.0433 15.0433 k = 0.2556 0.5000-0.0000 ( 3806 PWs) bands (ev): -41.7395 -41.7395 -41.7395 -41.7395 -19.4745 -19.4745 -19.4657 -19.4657 -17.4481 -17.4481 -17.4480 -17.4480 -17.3848 -17.3848 -17.3726 -17.3726 2.3649 2.3649 2.3749 2.3749 3.1781 3.1781 3.2058 3.2058 7.8853 7.8853 7.8856 7.8856 8.3892 8.3892 8.4094 8.4094 10.2509 10.2509 10.2646 10.2646 10.9473 10.9473 10.9769 10.9769 11.2770 11.2770 11.3412 11.3412 14.3090 14.3090 14.3427 14.3427 15.0513 15.0513 15.0567 15.0567 k = 0.2667 0.5000-0.0000 ( 3806 PWs) bands (ev): -41.7392 -41.7392 -41.7392 -41.7392 -19.4756 -19.4756 -19.4667 -19.4667 -17.4483 -17.4483 -17.4480 -17.4480 -17.3875 -17.3875 -17.3755 -17.3755 2.3889 2.3889 2.3983 2.3983 3.2141 3.2141 3.2431 3.2431 7.8259 7.8259 7.8311 7.8311 8.3874 8.3874 8.4025 8.4025 10.2278 10.2278 10.2352 10.2352 10.8865 10.8865 10.9132 10.9132 11.2522 11.2522 11.3125 11.3125 14.3559 14.3559 14.3909 14.3909 15.0648 15.0648 15.0711 15.0711 k = 0.2778 0.5000-0.0000 ( 3802 PWs) bands (ev): -41.7388 -41.7388 -41.7388 -41.7388 -19.4766 -19.4766 -19.4678 -19.4678 -17.4487 -17.4487 -17.4481 -17.4481 -17.3899 -17.3899 -17.3783 -17.3783 2.4126 2.4126 2.4214 2.4214 3.2514 3.2514 3.2816 3.2816 7.7516 7.7516 7.7615 7.7615 8.4011 8.4011 8.4110 8.4110 10.2060 10.2060 10.2067 10.2067 10.8286 10.8286 10.8523 10.8523 11.2268 11.2268 11.2829 11.2829 14.4006 14.4006 14.4365 14.4365 15.0791 15.0791 15.0864 15.0864 k = 0.2889 0.5000-0.0000 ( 3802 PWs) bands (ev): -41.7385 -41.7385 -41.7385 -41.7385 -19.4776 -19.4776 -19.4690 -19.4690 -17.4492 -17.4492 -17.4484 -17.4484 -17.3922 -17.3922 -17.3809 -17.3809 2.4359 2.4359 2.4441 2.4441 3.2899 3.2899 3.3211 3.3211 7.6687 7.6687 7.6825 7.6825 8.4241 8.4241 8.4293 8.4293 10.1792 10.1792 10.1856 10.1856 10.7741 10.7741 10.7947 10.7947 11.2009 11.2009 11.2525 11.2525 14.4432 14.4432 14.4797 14.4797 15.0944 15.0944 15.1028 15.1028 k = 0.3000 0.5000-0.0000 ( 3810 PWs) bands (ev): -41.7383 -41.7383 -41.7382 -41.7382 -19.4785 -19.4785 -19.4701 -19.4701 -17.4498 -17.4498 -17.4487 -17.4487 -17.3942 -17.3942 -17.3835 -17.3835 2.4588 2.4588 2.4663 2.4663 3.3294 3.3294 3.3616 3.3616 7.5815 7.5815 7.5985 7.5985 8.4519 8.4519 8.4528 8.4528 10.1528 10.1528 10.1663 10.1663 10.7235 10.7235 10.7411 10.7411 11.1745 11.1745 11.2214 11.2214 14.4837 14.4837 14.5204 14.5204 15.1106 15.1106 15.1205 15.1205 k = 0.3111 0.5000-0.0000 ( 3806 PWs) bands (ev): -41.7379 -41.7379 -41.7379 -41.7379 -19.4795 -19.4795 -19.4712 -19.4712 -17.4506 -17.4506 -17.4492 -17.4492 -17.3959 -17.3959 -17.3858 -17.3858 2.4810 2.4810 2.4879 2.4879 3.3699 3.3699 3.4028 3.4028 7.4926 7.4926 7.5121 7.5121 8.4787 8.4787 8.4818 8.4818 10.1273 10.1273 10.1479 10.1479 10.6775 10.6775 10.6924 10.6924 11.1478 11.1478 11.1897 11.1897 14.5221 14.5221 14.5584 14.5584 15.1281 15.1281 15.1396 15.1396 k = 0.3222 0.5000-0.0000 ( 3810 PWs) bands (ev): -41.7377 -41.7377 -41.7376 -41.7376 -19.4804 -19.4804 -19.4723 -19.4723 -17.4515 -17.4515 -17.4499 -17.4499 -17.3975 -17.3975 -17.3880 -17.3880 2.5025 2.5025 2.5087 2.5087 3.4111 3.4111 3.4446 3.4446 7.4037 7.4037 7.4253 7.4253 8.5053 8.5053 8.5118 8.5118 10.1028 10.1028 10.1300 10.1300 10.6365 10.6365 10.6491 10.6491 11.1209 11.1209 11.1575 11.1575 14.5581 14.5581 14.5937 14.5937 15.1469 15.1469 15.1602 15.1602 k = 0.3333 0.5000-0.0000 ( 3802 PWs) bands (ev): -41.7373 -41.7373 -41.7373 -41.7373 -19.4812 -19.4812 -19.4735 -19.4735 -17.4525 -17.4525 -17.4506 -17.4506 -17.3988 -17.3988 -17.3899 -17.3899 2.5231 2.5231 2.5288 2.5288 3.4528 3.4528 3.4866 3.4866 7.3159 7.3159 7.3390 7.3390 8.5312 8.5312 8.5409 8.5409 10.0792 10.0792 10.1124 10.1124 10.6009 10.6009 10.6121 10.6121 11.0939 11.0939 11.1250 11.1250 14.5916 14.5916 14.6261 14.6261 15.1671 15.1671 15.1822 15.1822 k = 0.3444 0.5000-0.0000 ( 3806 PWs) bands (ev): -41.7370 -41.7370 -41.7370 -41.7370 -19.4820 -19.4820 -19.4746 -19.4746 -17.4536 -17.4536 -17.4514 -17.4514 -17.3998 -17.3998 -17.3917 -17.3917 2.5429 2.5429 2.5480 2.5480 3.4947 3.4947 3.5286 3.5286 7.2301 7.2301 7.2544 7.2544 8.5556 8.5556 8.5682 8.5682 10.0565 10.0565 10.0946 10.0946 10.5711 10.5711 10.5817 10.5817 11.0669 11.0669 11.0922 11.0922 14.6225 14.6225 14.6554 14.6554 15.1888 15.1888 15.2057 15.2057 k = 0.3556 0.5000-0.0000 ( 3806 PWs) bands (ev): -41.7368 -41.7368 -41.7368 -41.7368 -19.4827 -19.4827 -19.4756 -19.4756 -17.4548 -17.4548 -17.4524 -17.4524 -17.4007 -17.4007 -17.3933 -17.3933 2.5617 2.5617 2.5662 2.5662 3.5367 3.5367 3.5704 3.5704 7.1470 7.1470 7.1720 7.1720 8.5782 8.5782 8.5932 8.5932 10.0348 10.0348 10.0764 10.0764 10.5472 10.5472 10.5585 10.5585 11.0400 11.0400 11.0594 11.0594 14.6504 14.6504 14.6814 14.6814 15.2117 15.2117 15.2304 15.2304 k = 0.3667 0.5000-0.0000 ( 3806 PWs) bands (ev): -41.7365 -41.7365 -41.7365 -41.7365 -19.4833 -19.4833 -19.4767 -19.4767 -17.4560 -17.4560 -17.4534 -17.4534 -17.4014 -17.4014 -17.3947 -17.3947 2.5794 2.5794 2.5834 2.5834 3.5783 3.5783 3.6116 3.6116 7.0671 7.0671 7.0925 7.0925 8.5985 8.5985 8.6155 8.6155 10.0141 10.0141 10.0576 10.0576 10.5293 10.5293 10.5424 10.5424 11.0132 11.0132 11.0266 11.0266 14.6754 14.6754 14.7043 14.7043 15.2358 15.2358 15.2560 15.2560 k = 0.3778 0.5000-0.0000 ( 3802 PWs) bands (ev): -41.7362 -41.7362 -41.7362 -41.7362 -19.4839 -19.4839 -19.4777 -19.4777 -17.4572 -17.4572 -17.4545 -17.4545 -17.4019 -17.4019 -17.3959 -17.3959 2.5960 2.5960 2.5994 2.5994 3.6193 3.6193 3.6518 3.6518 6.9910 6.9910 7.0164 7.0164 8.6165 8.6165 8.6349 8.6349 9.9945 9.9945 10.0383 10.0383 10.5173 10.5173 10.5333 10.5333 10.9867 10.9867 10.9939 10.9939 14.6974 14.6974 14.7239 14.7239 15.2607 15.2607 15.2820 15.2820 k = 0.3889 0.5000-0.0000 ( 3800 PWs) bands (ev): -41.7360 -41.7360 -41.7360 -41.7360 -19.4845 -19.4845 -19.4787 -19.4787 -17.4583 -17.4583 -17.4556 -17.4556 -17.4023 -17.4023 -17.3970 -17.3970 2.6114 2.6114 2.6143 2.6143 3.6593 3.6593 3.6906 3.6906 6.9192 6.9192 6.9441 6.9441 8.6321 8.6321 8.6513 8.6513 9.9761 9.9761 10.0189 10.0189 10.5110 10.5110 10.5307 10.5307 10.9604 10.9604 10.9616 10.9616 14.7164 14.7164 14.7405 14.7405 15.2858 15.2858 15.3079 15.3079 k = 0.4000 0.5000-0.0000 ( 3804 PWs) bands (ev): -41.7358 -41.7358 -41.7358 -41.7358 -19.4849 -19.4849 -19.4797 -19.4797 -17.4594 -17.4594 -17.4568 -17.4568 -17.4026 -17.4026 -17.3979 -17.3979 2.6255 2.6255 2.6280 2.6280 3.6978 3.6978 3.7275 3.7275 6.8522 6.8522 6.8763 6.8763 8.6454 8.6454 8.6649 8.6649 9.9591 9.9591 9.9996 9.9996 10.5098 10.5098 10.5338 10.5338 10.9296 10.9296 10.9345 10.9345 14.7326 14.7326 14.7542 14.7542 15.3107 15.3107 15.3329 15.3329 k = 0.4111 0.5000-0.0000 ( 3808 PWs) bands (ev): -41.7357 -41.7357 -41.7357 -41.7357 -19.4853 -19.4853 -19.4806 -19.4806 -17.4604 -17.4604 -17.4579 -17.4579 -17.4027 -17.4027 -17.3987 -17.3987 2.6382 2.6382 2.6404 2.6404 3.7344 3.7344 3.7622 3.7622 6.7905 6.7905 6.8134 6.8134 8.6566 8.6566 8.6757 8.6757 9.9436 9.9436 9.9810 9.9810 10.5135 10.5135 10.5418 10.5418 10.8981 10.8981 10.9088 10.9088 14.7462 14.7462 14.7653 14.7653 15.3348 15.3348 15.3564 15.3564 k = 0.4222 0.5000-0.0000 ( 3804 PWs) bands (ev): -41.7355 -41.7355 -41.7355 -41.7355 -19.4856 -19.4856 -19.4814 -19.4814 -17.4613 -17.4613 -17.4590 -17.4590 -17.4028 -17.4028 -17.3993 -17.3993 2.6496 2.6496 2.6514 2.6514 3.7686 3.7686 3.7942 3.7942 6.7347 6.7347 6.7559 6.7559 8.6659 8.6659 8.6841 8.6841 9.9299 9.9299 9.9634 9.9634 10.5214 10.5214 10.5538 10.5538 10.8672 10.8672 10.8835 10.8835 14.7574 14.7574 14.7741 14.7741 15.3575 15.3575 15.3779 15.3779 k = 0.4333 0.5000-0.0000 ( 3792 PWs) bands (ev): -41.7352 -41.7352 -41.7352 -41.7352 -19.4858 -19.4858 -19.4822 -19.4822 -17.4621 -17.4621 -17.4600 -17.4600 -17.4028 -17.4028 -17.3999 -17.3999 2.6596 2.6596 2.6611 2.6611 3.8000 3.8000 3.8228 3.8228 6.6852 6.6852 6.7044 6.7044 8.6736 8.6736 8.6903 8.6903 9.9180 9.9180 9.9472 9.9472 10.5330 10.5330 10.5689 10.5689 10.8371 10.8371 10.8586 10.8586 14.7667 14.7667 14.7808 14.7808 15.3782 15.3782 15.3969 15.3969 k = 0.4444 0.5000-0.0000 ( 3792 PWs) bands (ev): -41.7351 -41.7351 -41.7351 -41.7351 -19.4860 -19.4860 -19.4829 -19.4829 -17.4628 -17.4628 -17.4609 -17.4609 -17.4028 -17.4028 -17.4004 -17.4004 2.6682 2.6682 2.6693 2.6693 3.8280 3.8280 3.8478 3.8478 6.6427 6.6427 6.6594 6.6594 8.6798 8.6798 8.6945 8.6945 9.9082 9.9082 9.9327 9.9327 10.5477 10.5477 10.5864 10.5864 10.8079 10.8079 10.8339 10.8339 14.7741 14.7741 14.7858 14.7858 15.3966 15.3966 15.4130 15.4130 k = 0.4556 0.5000-0.0000 ( 3784 PWs) bands (ev): -41.7349 -41.7349 -41.7349 -41.7349 -19.4860 -19.4860 -19.4835 -19.4835 -17.4633 -17.4633 -17.4618 -17.4618 -17.4027 -17.4027 -17.4008 -17.4008 2.6752 2.6752 2.6761 2.6761 3.8521 3.8521 3.8685 3.8685 6.6075 6.6075 6.6214 6.6214 8.6849 8.6849 8.6972 8.6972 9.9004 9.9004 9.9202 9.9202 10.5649 10.5649 10.6053 10.6053 10.7799 10.7799 10.8097 10.8097 14.7799 14.7799 14.7893 14.7893 15.4123 15.4123 15.4260 15.4260 k = 0.4667 0.5000-0.0000 ( 3782 PWs) bands (ev): -41.7348 -41.7348 -41.7348 -41.7348 -19.4860 -19.4860 -19.4841 -19.4841 -17.4637 -17.4637 -17.4625 -17.4625 -17.4026 -17.4026 -17.4012 -17.4012 2.6807 2.6807 2.6814 2.6814 3.8720 3.8720 3.8845 3.8845 6.5800 6.5800 6.5908 6.5908 8.6890 8.6890 8.6985 8.6985 9.8949 9.8949 9.9097 9.9097 10.5841 10.5841 10.6243 10.6243 10.7539 10.7539 10.7860 10.7860 14.7845 14.7845 14.7916 14.7916 15.4251 15.4251 15.4357 15.4357 k = 0.4778 0.5000-0.0000 ( 3782 PWs) bands (ev): -41.7348 -41.7348 -41.7348 -41.7348 -19.4859 -19.4859 -19.4846 -19.4846 -17.4639 -17.4639 -17.4630 -17.4630 -17.4024 -17.4024 -17.4015 -17.4015 2.6847 2.6847 2.6852 2.6852 3.8871 3.8871 3.8957 3.8957 6.5607 6.5607 6.5681 6.5681 8.6923 8.6923 8.6988 8.6988 9.8916 9.8916 9.9015 9.9015 10.6044 10.6044 10.6411 10.6411 10.7320 10.7320 10.7631 10.7631 14.7880 14.7880 14.7927 14.7927 15.4349 15.4349 15.4421 15.4421 k = 0.4889 0.5000-0.0000 ( 3784 PWs) bands (ev): -41.7348 -41.7348 -41.7348 -41.7348 -19.4857 -19.4857 -19.4851 -19.4851 -17.4639 -17.4639 -17.4635 -17.4635 -17.4023 -17.4023 -17.4018 -17.4018 2.6872 2.6872 2.6874 2.6874 3.8972 3.8972 3.9015 3.9015 6.5498 6.5498 6.5535 6.5535 8.6950 8.6950 8.6982 8.6982 9.8906 9.8906 9.8955 9.8955 10.6248 10.6248 10.6494 10.6494 10.7201 10.7201 10.7419 10.7419 14.7905 14.7905 14.7928 14.7928 15.4415 15.4415 15.4451 15.4451 k = 0.5000 0.5000-0.0000 ( 3796 PWs) bands (ev): -41.7349 -41.7349 -41.7349 -41.7349 -19.4854 -19.4854 -19.4854 -19.4854 -17.4638 -17.4638 -17.4638 -17.4638 -17.4021 -17.4021 -17.4021 -17.4021 2.6881 2.6881 2.6881 2.6881 3.9021 3.9021 3.9021 3.9021 6.5474 6.5474 6.5474 6.5474 8.6969 8.6969 8.6969 8.6969 9.8919 9.8919 9.8919 9.8919 10.6422 10.6422 10.6422 10.6422 10.7252 10.7252 10.7252 10.7252 14.7920 14.7920 14.7920 14.7920 15.4449 15.4449 15.4449 15.4449 k = 0.5000 0.5000-0.0000 ( 3796 PWs) bands (ev): -41.7349 -41.7349 -41.7349 -41.7349 -19.4854 -19.4854 -19.4854 -19.4854 -17.4638 -17.4638 -17.4638 -17.4638 -17.4021 -17.4021 -17.4021 -17.4021 2.6881 2.6881 2.6881 2.6881 3.9021 3.9021 3.9021 3.9021 6.5474 6.5474 6.5474 6.5474 8.6969 8.6969 8.6969 8.6969 9.8919 9.8919 9.8919 9.8919 10.6422 10.6422 10.6422 10.6422 10.7252 10.7252 10.7252 10.7252 14.7920 14.7920 14.7920 14.7920 15.4449 15.4449 15.4449 15.4449 k = 0.4921 0.4921-0.0000 ( 3792 PWs) bands (ev): -41.7349 -41.7349 -41.7348 -41.7348 -19.4857 -19.4857 -19.4851 -19.4851 -17.4639 -17.4639 -17.4635 -17.4635 -17.4023 -17.4023 -17.4018 -17.4018 2.6861 2.6861 2.6885 2.6885 3.8949 3.8949 3.9038 3.9038 6.5466 6.5466 6.5569 6.5569 8.6946 8.6946 8.6986 8.6986 9.8905 9.8905 9.8956 9.8956 10.6219 10.6219 10.6537 10.6537 10.7170 10.7170 10.7437 10.7437 14.7892 14.7892 14.7940 14.7940 15.4414 15.4414 15.4451 15.4451 k = 0.4841 0.4841-0.0000 ( 3778 PWs) bands (ev): -41.7348 -41.7348 -41.7347 -41.7347 -19.4859 -19.4859 -19.4846 -19.4846 -17.4639 -17.4639 -17.4630 -17.4630 -17.4025 -17.4025 -17.4015 -17.4015 2.6800 2.6800 2.6897 2.6897 3.8755 3.8755 3.9071 3.9071 6.5451 6.5451 6.5842 6.5842 8.6904 8.6904 8.7010 8.7010 9.8911 9.8911 9.9020 9.9020 10.5906 10.5906 10.6667 10.6667 10.7130 10.7130 10.7704 10.7704 14.7817 14.7817 14.7990 14.7990 15.4346 15.4346 15.4420 15.4420 k = 0.4762 0.4762-0.0000 ( 3778 PWs) bands (ev): -41.7348 -41.7348 -41.7348 -41.7348 -19.4860 -19.4860 -19.4841 -19.4841 -17.4637 -17.4637 -17.4624 -17.4624 -17.4026 -17.4026 -17.4012 -17.4012 2.6699 2.6699 2.6916 2.6916 3.8443 3.8443 3.9127 3.9127 6.5427 6.5427 6.6284 6.6284 8.6840 8.6840 8.7048 8.7048 9.8932 9.8932 9.9106 9.9106 10.5537 10.5537 10.6835 10.6835 10.7112 10.7112 10.8001 10.8001 14.7692 14.7692 14.8072 14.8072 15.4242 15.4242 15.4356 15.4356 k = 0.4683 0.4683-0.0000 ( 3782 PWs) bands (ev): -41.7350 -41.7350 -41.7349 -41.7349 -19.4860 -19.4860 -19.4835 -19.4835 -17.4633 -17.4633 -17.4616 -17.4616 -17.4027 -17.4027 -17.4008 -17.4008 2.6555 2.6555 2.6944 2.6944 3.8028 3.8028 3.9205 3.9205 6.5395 6.5395 6.6883 6.6883 8.6761 8.6761 8.7101 8.7101 9.8964 9.8964 9.9209 9.9209 10.5149 10.5149 10.6925 10.6925 10.7223 10.7223 10.8307 10.8307 14.7519 14.7519 14.8185 14.8185 15.4100 15.4100 15.4260 15.4260 k = 0.4603 0.4603-0.0000 ( 3794 PWs) bands (ev): -41.7352 -41.7352 -41.7351 -41.7351 -19.4860 -19.4860 -19.4828 -19.4828 -17.4628 -17.4628 -17.4607 -17.4607 -17.4029 -17.4029 -17.4004 -17.4004 2.6366 2.6366 2.6977 2.6977 3.7527 3.7527 3.9305 3.9305 6.5357 6.5357 6.7620 6.7620 8.6676 8.6676 8.7168 8.7168 9.9002 9.9002 9.9313 9.9313 10.4768 10.4768 10.6881 10.6881 10.7510 10.7510 10.8618 10.8618 14.7300 14.7300 14.8328 14.8328 15.3914 15.3914 15.4135 15.4135 k = 0.4524 0.4524-0.0000 ( 3796 PWs) bands (ev): -41.7353 -41.7353 -41.7352 -41.7352 -19.4859 -19.4859 -19.4820 -19.4820 -17.4621 -17.4621 -17.4596 -17.4596 -17.4029 -17.4029 -17.4000 -17.4000 2.6129 2.6129 2.7017 2.7017 3.6959 3.6959 3.9427 3.9427 6.5313 6.5313 6.8477 6.8477 8.6593 8.6593 8.7250 8.7250 9.9036 9.9036 9.9400 9.9400 10.4427 10.4427 10.6800 10.6800 10.7866 10.7866 10.8934 10.8934 14.7036 14.7036 14.8499 14.8499 15.3678 15.3678 15.3989 15.3989 k = 0.4444 0.4444-0.0000 ( 3788 PWs) bands (ev): -41.7354 -41.7354 -41.7354 -41.7354 -19.4856 -19.4856 -19.4812 -19.4812 -17.4613 -17.4613 -17.4584 -17.4584 -17.4030 -17.4030 -17.3995 -17.3995 2.5843 2.5843 2.7062 2.7062 3.6344 3.6344 3.9572 3.9572 6.5267 6.5267 6.9433 6.9433 8.6525 8.6525 8.7347 8.7347 9.9044 9.9044 9.9453 9.9453 10.4167 10.4167 10.6703 10.6703 10.8260 10.8260 10.9258 10.9258 14.6731 14.6731 14.8697 14.8697 15.3385 15.3385 15.3828 15.3828 k = 0.4365 0.4365-0.0000 ( 3788 PWs) bands (ev): -41.7356 -41.7356 -41.7355 -41.7355 -19.4854 -19.4854 -19.4802 -19.4802 -17.4604 -17.4604 -17.4570 -17.4570 -17.4030 -17.4030 -17.3990 -17.3990 2.5502 2.5502 2.7111 2.7111 3.5699 3.5699 3.9738 3.9738 6.5221 6.5221 7.0470 7.0470 8.6484 8.6484 8.7458 8.7458 9.8972 9.8972 9.9482 9.9482 10.4032 10.4032 10.6595 10.6595 10.8674 10.8674 10.9592 10.9592 14.6387 14.6387 14.8919 14.8919 15.3031 15.3031 15.3659 15.3659 k = 0.4286 0.4286-0.0000 ( 3780 PWs) bands (ev): -41.7357 -41.7357 -41.7357 -41.7357 -19.4850 -19.4850 -19.4792 -19.4792 -17.4593 -17.4593 -17.4554 -17.4554 -17.4030 -17.4030 -17.3984 -17.3984 2.5106 2.5106 2.7163 2.7163 3.5040 3.5040 3.9927 3.9927 6.5176 6.5176 7.1569 7.1569 8.6483 8.6483 8.7584 8.7584 9.8755 9.8755 9.9524 9.9524 10.4051 10.4051 10.6482 10.6482 10.9093 10.9093 10.9939 10.9939 14.6006 14.6006 14.9162 14.9162 15.2615 15.2615 15.3490 15.3490 k = 0.4206 0.4206-0.0000 ( 3784 PWs) bands (ev): -41.7359 -41.7359 -41.7359 -41.7359 -19.4846 -19.4846 -19.4781 -19.4781 -17.4580 -17.4580 -17.4537 -17.4537 -17.4029 -17.4029 -17.3977 -17.3977 2.4650 2.4650 2.7216 2.7216 3.4381 3.4381 4.0138 4.0138 6.5135 6.5135 7.2710 7.2710 8.6535 8.6535 8.7724 8.7724 9.8377 9.8377 9.9590 9.9590 10.4228 10.4228 10.6366 10.6366 10.9504 10.9504 11.0303 11.0303 14.5590 14.5590 14.9422 14.9422 15.2136 15.2136 15.3328 15.3328 k = 0.4127 0.4127-0.0000 ( 3782 PWs) bands (ev): -41.7362 -41.7362 -41.7361 -41.7361 -19.4841 -19.4841 -19.4770 -19.4770 -17.4567 -17.4567 -17.4519 -17.4519 -17.4028 -17.4028 -17.3971 -17.3971 2.4135 2.4135 2.7270 2.7270 3.3732 3.3732 4.0371 4.0371 6.5102 6.5102 7.3875 7.3875 8.6657 8.6657 8.7879 8.7879 9.7868 9.7868 9.9672 9.9672 10.4544 10.4544 10.6252 10.6252 10.9892 10.9892 11.0686 11.0686 14.5143 14.5143 14.9695 14.9695 15.1597 15.1597 15.3179 15.3179 k = 0.4048 0.4048-0.0000 ( 3786 PWs) bands (ev): -41.7365 -41.7365 -41.7363 -41.7363 -19.4835 -19.4835 -19.4757 -19.4757 -17.4552 -17.4552 -17.4499 -17.4499 -17.4027 -17.4027 -17.3963 -17.3963 2.3559 2.3559 2.7322 2.7322 3.3101 3.3101 4.0626 4.0626 6.5079 6.5079 7.5042 7.5042 8.6866 8.6866 8.8049 8.8049 9.7262 9.7262 9.9758 9.9758 10.4972 10.4972 10.6146 10.6146 11.0246 11.0246 11.1089 11.1089 14.4666 14.4666 14.9968 14.9968 15.1008 15.1008 15.3048 15.3048 k = 0.3968 0.3968-0.0000 ( 3786 PWs) bands (ev): -41.7368 -41.7368 -41.7366 -41.7366 -19.4829 -19.4829 -19.4744 -19.4744 -17.4536 -17.4536 -17.4478 -17.4478 -17.4025 -17.4025 -17.3955 -17.3955 2.2925 2.2925 2.7370 2.7370 3.2494 3.2494 4.0903 4.0903 6.5068 6.5068 7.6190 7.6190 8.7179 8.7179 8.8235 8.8235 9.6591 9.6591 9.9844 9.9844 10.5487 10.5487 10.6051 10.6051 11.0556 11.0556 11.1515 11.1515 14.4161 14.4161 15.0106 15.0106 15.0505 15.0505 15.2936 15.2936 k = 0.3889 0.3889-0.0000 ( 3792 PWs) bands (ev): -41.7372 -41.7372 -41.7369 -41.7369 -19.4822 -19.4822 -19.4730 -19.4730 -17.4520 -17.4520 -17.4455 -17.4455 -17.4022 -17.4022 -17.3947 -17.3947 2.2237 2.2237 2.7414 2.7414 3.1913 3.1913 4.1202 4.1202 6.5072 6.5072 7.7297 7.7297 8.7614 8.7614 8.8438 8.8438 9.5876 9.5876 9.9922 9.9922 10.5972 10.5972 10.6073 10.6073 11.0814 11.0814 11.1965 11.1965 14.3630 14.3630 14.9543 14.9543 15.0651 15.0651 15.2839 15.2839 k = 0.3810 0.3810-0.0000 ( 3792 PWs) bands (ev): -41.7375 -41.7375 -41.7372 -41.7372 -19.4815 -19.4815 -19.4716 -19.4716 -17.4502 -17.4502 -17.4432 -17.4432 -17.4019 -17.4019 -17.3938 -17.3938 2.1498 2.1498 2.7451 2.7451 3.1359 3.1359 4.1522 4.1522 6.5094 6.5094 7.8342 7.8342 8.8174 8.8174 8.8672 8.8672 9.5136 9.5136 9.9988 9.9988 10.5920 10.5920 10.6708 10.6708 11.1012 11.1012 11.2440 11.2440 14.3076 14.3076 14.8788 14.8788 15.0937 15.0937 15.2751 15.2751 k = 0.3730 0.3730-0.0000 ( 3802 PWs) bands (ev): -41.7381 -41.7381 -41.7375 -41.7375 -19.4807 -19.4807 -19.4701 -19.4701 -17.4485 -17.4485 -17.4407 -17.4407 -17.4014 -17.4014 -17.3929 -17.3929 2.0715 2.0715 2.7480 2.7480 3.0830 3.0830 4.1865 4.1865 6.5136 6.5136 7.9310 7.9310 8.8734 8.8734 8.9075 8.9075 9.4382 9.4382 10.0037 10.0037 10.5895 10.5895 10.7387 10.7387 11.1146 11.1146 11.2944 11.2944 14.2498 14.2498 14.7972 14.7972 15.1227 15.1227 15.2664 15.2664 k = 0.3651 0.3651-0.0000 ( 3806 PWs) bands (ev): -41.7385 -41.7385 -41.7378 -41.7378 -19.4798 -19.4798 -19.4685 -19.4685 -17.4466 -17.4466 -17.4381 -17.4381 -17.4009 -17.4009 -17.3919 -17.3919 1.9895 1.9895 2.7498 2.7498 3.0324 3.0324 4.2230 4.2230 6.5201 6.5201 8.0194 8.0194 8.9043 8.9043 8.9899 8.9899 9.3626 9.3626 10.0064 10.0064 10.5904 10.5904 10.8099 10.8099 11.1214 11.1214 11.3478 11.3478 14.1899 14.1899 14.7110 14.7110 15.1496 15.1496 15.2572 15.2572 k = 0.3571 0.3571-0.0000 ( 3806 PWs) bands (ev): -41.7388 -41.7388 -41.7382 -41.7382 -19.4789 -19.4789 -19.4668 -19.4668 -17.4448 -17.4448 -17.4354 -17.4354 -17.4002 -17.4002 -17.3909 -17.3909 1.9043 1.9043 2.7504 2.7504 2.9838 2.9838 4.2616 4.2616 6.5291 6.5291 8.0999 8.0999 8.9304 8.9304 9.0933 9.0933 9.2876 9.2876 10.0067 10.0067 10.5952 10.5952 10.8833 10.8833 11.1218 11.1218 11.4044 11.4044 14.1279 14.1279 14.6207 14.6207 15.1696 15.1696 15.2504 15.2504 k = 0.3492 0.3492-0.0000 ( 3816 PWs) bands (ev): -41.7394 -41.7394 -41.7386 -41.7386 -19.4779 -19.4779 -19.4651 -19.4651 -17.4430 -17.4430 -17.4326 -17.4326 -17.3993 -17.3993 -17.3898 -17.3898 1.8166 1.8166 2.7496 2.7496 2.9369 2.9369 4.3024 4.3024 6.5406 6.5406 8.1737 8.1737 8.9568 8.9568 9.2074 9.2074 9.2172 9.2172 10.0043 10.0043 10.6040 10.6040 10.9580 10.9580 11.1165 11.1165 11.4646 11.4646 14.0640 14.0640 14.5268 14.5268 15.1725 15.1725 15.2546 15.2546 k = 0.3413 0.3413-0.0000 ( 3812 PWs) bands (ev): -41.7398 -41.7398 -41.7389 -41.7389 -19.4769 -19.4769 -19.4634 -19.4634 -17.4412 -17.4412 -17.4297 -17.4297 -17.3983 -17.3983 -17.3887 -17.3887 1.7271 1.7271 2.7472 2.7472 2.8914 2.8914 4.3454 4.3454 6.5550 6.5550 8.2427 8.2427 8.9839 8.9839 9.1420 9.1420 9.3391 9.3391 9.9993 9.9993 10.6171 10.6171 11.0310 11.0310 11.1082 11.1082 11.5286 11.5286 13.9981 13.9981 14.4298 14.4298 15.1552 15.1552 15.2726 15.2726 k = 0.3333 0.3333-0.0000 ( 3812 PWs) bands (ev): -41.7403 -41.7403 -41.7393 -41.7393 -19.4759 -19.4759 -19.4616 -19.4616 -17.4395 -17.4395 -17.4267 -17.4267 -17.3971 -17.3971 -17.3875 -17.3875 1.6362 1.6362 2.7430 2.7430 2.8473 2.8473 4.3905 4.3905 6.5722 6.5722 8.3086 8.3086 9.0110 9.0110 9.0738 9.0738 9.4752 9.4752 9.9918 9.9918 10.6343 10.6343 11.0739 11.0739 11.1260 11.1260 11.5967 11.5967 13.9304 13.9304 14.3302 14.3302 15.1258 15.1258 15.2965 15.2965 k = 0.3254 0.3254-0.0000 ( 3800 PWs) bands (ev): -41.7406 -41.7406 -41.7395 -41.7395 -19.4747 -19.4747 -19.4597 -19.4597 -17.4379 -17.4379 -17.4237 -17.4237 -17.3957 -17.3957 -17.3863 -17.3863 1.5444 1.5444 2.7366 2.7366 2.8044 2.8044 4.4377 4.4377 6.5925 6.5925 8.3729 8.3729 9.0024 9.0024 9.0452 9.0452 9.6162 9.6162 9.9822 9.9822 10.6556 10.6556 11.0622 11.0622 11.1948 11.1948 11.6690 11.6690 13.8609 13.8609 14.2286 14.2286 15.0894 15.0894 15.3216 15.3216 k = 0.3175 0.3175-0.0000 ( 3800 PWs) bands (ev): -41.7411 -41.7411 -41.7399 -41.7399 -19.4736 -19.4736 -19.4578 -19.4578 -17.4364 -17.4364 -17.4205 -17.4205 -17.3940 -17.3940 -17.3850 -17.3850 1.4521 1.4521 2.7271 2.7271 2.7636 2.7636 4.4871 4.4871 6.6158 6.6158 8.4371 8.4371 8.9414 8.9414 9.0734 9.0734 9.7580 9.7580 9.9717 9.9717 10.6806 10.6806 11.0432 11.0432 11.2690 11.2690 11.7457 11.7457 13.7897 13.7897 14.1252 14.1252 15.0487 15.0487 15.3462 15.3462 k = 0.3095 0.3095-0.0000 ( 3800 PWs) bands (ev): -41.7416 -41.7416 -41.7403 -41.7403 -19.4724 -19.4724 -19.4559 -19.4559 -17.4350 -17.4350 -17.4173 -17.4173 -17.3922 -17.3922 -17.3837 -17.3837 1.3597 1.3597 2.7080 2.7080 2.7310 2.7310 4.5386 4.5386 6.6421 6.6421 8.5018 8.5018 8.8826 8.8826 9.1042 9.1042 9.8899 9.8899 9.9681 9.9681 10.7091 10.7091 11.0253 11.0253 11.3426 11.3426 11.8269 11.8269 13.7168 13.7168 14.0208 14.0208 15.0050 15.0050 15.3694 15.3694 k = 0.3016 0.3016-0.0000 ( 3800 PWs) bands (ev): -41.7421 -41.7421 -41.7407 -41.7407 -19.4712 -19.4712 -19.4539 -19.4539 -17.4338 -17.4338 -17.4140 -17.4140 -17.3901 -17.3901 -17.3822 -17.3822 1.2676 1.2676 2.6725 2.6725 2.7133 2.7133 4.5923 4.5923 6.6715 6.6715 8.5676 8.5676 8.8277 8.8277 9.1359 9.1359 9.9289 9.9289 10.0497 10.0497 10.7407 10.7407 11.0133 11.0133 11.4147 11.4147 11.9124 11.9124 13.6423 13.6423 13.9158 13.9158 14.9596 14.9596 15.3910 15.3910 k = 0.2937 0.2937-0.0000 ( 3792 PWs) bands (ev): -41.7425 -41.7425 -41.7410 -41.7410 -19.4700 -19.4700 -19.4519 -19.4519 -17.4327 -17.4327 -17.4107 -17.4107 -17.3879 -17.3879 -17.3807 -17.3807 1.1759 1.1759 2.6330 2.6330 2.6983 2.6983 4.6480 4.6480 6.7038 6.7038 8.6349 8.6349 8.7773 8.7773 9.1684 9.1684 9.9168 9.9168 10.1686 10.1686 10.7753 10.7753 11.0138 11.0138 11.4846 11.4846 12.0021 12.0021 13.5663 13.5663 13.8109 13.8109 14.9132 14.9132 15.4105 15.4105 k = 0.2857 0.2857-0.0000 ( 3792 PWs) bands (ev): -41.7431 -41.7431 -41.7414 -41.7414 -19.4687 -19.4687 -19.4498 -19.4498 -17.4317 -17.4317 -17.4073 -17.4073 -17.3855 -17.3855 -17.3791 -17.3791 1.0849 1.0849 2.5931 2.5931 2.6820 2.6820 4.7058 4.7058 6.7389 6.7389 8.7034 8.7034 8.7320 8.7320 9.2015 9.2015 9.9006 9.9006 10.2695 10.2695 10.8125 10.8125 11.0355 11.0355 11.5519 11.5519 12.0956 12.0956 13.4888 13.4888 13.7065 13.7065 14.8665 14.8665 15.4278 15.4278 k = 0.2778 0.2778-0.0000 ( 3796 PWs) bands (ev): -41.7436 -41.7436 -41.7418 -41.7418 -19.4675 -19.4675 -19.4478 -19.4478 -17.4309 -17.4309 -17.4039 -17.4039 -17.3830 -17.3830 -17.3774 -17.3774 0.9949 0.9949 2.5535 2.5535 2.6639 2.6639 4.7657 4.7657 6.7767 6.7767 8.6913 8.6913 8.7738 8.7738 9.2351 9.2351 9.8832 9.8832 10.3415 10.3415 10.8521 10.8521 11.0870 11.0870 11.6163 11.6163 12.1925 12.1925 13.4101 13.4101 13.6037 13.6037 14.8202 14.8202 15.4428 15.4428 k = 0.2698 0.2698-0.0000 ( 3804 PWs) bands (ev): -41.7442 -41.7442 -41.7424 -41.7424 -19.4662 -19.4662 -19.4457 -19.4457 -17.4302 -17.4302 -17.4004 -17.4004 -17.3806 -17.3806 -17.3753 -17.3753 0.9060 0.9060 2.5143 2.5143 2.6439 2.6439 4.8276 4.8276 6.8169 6.8169 8.6565 8.6565 8.8446 8.8446 9.2689 9.2689 9.8652 9.8652 10.3816 10.3816 10.8937 10.8937 11.1713 11.1713 11.6774 11.6774 12.2921 12.2921 13.3303 13.3303 13.5031 13.5031 14.7749 14.7749 15.4552 15.4552 k = 0.2619 0.2619-0.0000 ( 3804 PWs) bands (ev): -41.7447 -41.7447 -41.7428 -41.7428 -19.4649 -19.4649 -19.4436 -19.4436 -17.4297 -17.4297 -17.3970 -17.3970 -17.3783 -17.3783 -17.3730 -17.3730 0.8184 0.8184 2.4756 2.4756 2.6220 2.6220 4.8916 4.8916 6.8593 6.8593 8.6274 8.6274 8.9155 8.9155 9.3029 9.3029 9.8470 9.8470 10.3955 10.3955 10.9368 10.9368 11.2830 11.2830 11.7347 11.7347 12.3939 12.3939 13.2496 13.2496 13.4060 13.4060 14.7311 14.7311 15.4652 15.4652 k = 0.2540 0.2540-0.0000 ( 3802 PWs) bands (ev): -41.7452 -41.7452 -41.7432 -41.7432 -19.4636 -19.4636 -19.4415 -19.4415 -17.4292 -17.4292 -17.3935 -17.3935 -17.3762 -17.3762 -17.3702 -17.3702 0.7323 0.7323 2.4375 2.4375 2.5983 2.5983 4.9576 4.9576 6.9035 6.9035 8.6044 8.6044 8.9855 8.9855 9.3368 9.3368 9.8288 9.8288 10.3929 10.3929 10.9813 10.9813 11.4131 11.4131 11.7873 11.7873 12.4967 12.4967 13.1684 13.1684 13.3141 13.3141 14.6893 14.6893 15.4727 15.4727 k = 0.2460 0.2460-0.0000 ( 3806 PWs) bands (ev): -41.7458 -41.7458 -41.7437 -41.7437 -19.4623 -19.4623 -19.4394 -19.4394 -17.4288 -17.4288 -17.3901 -17.3901 -17.3743 -17.3743 -17.3672 -17.3672 0.6477 0.6477 2.4001 2.4001 2.5729 2.5729 5.0256 5.0256 6.9494 6.9494 8.5875 8.5875 9.0533 9.0533 9.3703 9.3703 9.8109 9.8109 10.3824 10.3824 11.0270 11.0270 11.5534 11.5534 11.8348 11.8348 12.5992 12.5992 13.0870 13.0870 13.2298 13.2298 14.6501 14.6501 15.4777 15.4777 k = 0.2381 0.2381-0.0000 ( 3812 PWs) bands (ev): -41.7464 -41.7464 -41.7442 -41.7442 -19.4610 -19.4610 -19.4373 -19.4373 -17.4285 -17.4285 -17.3867 -17.3867 -17.3724 -17.3724 -17.3639 -17.3639 0.5648 0.5648 2.3634 2.3634 2.5459 2.5459 5.0956 5.0956 6.9965 6.9965 8.5771 8.5771 9.1172 9.1172 9.4033 9.4033 9.7932 9.7932 10.3706 10.3706 11.0737 11.0737 11.6969 11.6969 11.8769 11.8769 12.6980 12.6980 13.0055 13.0055 13.1579 13.1579 14.6140 14.6140 15.4801 15.4801 k = 0.2302 0.2302-0.0000 ( 3821 PWs) bands (ev): -41.7470 -41.7470 -41.7447 -41.7447 -19.4597 -19.4597 -19.4352 -19.4352 -17.4282 -17.4282 -17.3833 -17.3833 -17.3705 -17.3705 -17.3605 -17.3605 0.4837 0.4837 2.3274 2.3274 2.5174 2.5174 5.1676 5.1676 7.0445 7.0445 8.5731 8.5731 9.1751 9.1751 9.4353 9.4353 9.7760 9.7760 10.3625 10.3625 11.1213 11.1213 11.8301 11.8301 11.9215 11.9215 12.7850 12.7850 12.9244 12.9244 13.1082 13.1082 14.5815 14.5815 15.4802 15.4802 k = 0.2222 0.2222-0.0000 ( 3815 PWs) bands (ev): -41.7475 -41.7475 -41.7450 -41.7450 -19.4584 -19.4584 -19.4331 -19.4331 -17.4280 -17.4280 -17.3801 -17.3801 -17.3685 -17.3685 -17.3569 -17.3569 0.4045 0.4045 2.2923 2.2923 2.4876 2.4876 5.2414 5.2414 7.0930 7.0930 8.5757 8.5757 9.2249 9.2249 9.4660 9.4660 9.7593 9.7593 10.3624 10.3624 11.1696 11.1696 11.8982 11.8982 12.0186 12.0186 12.8317 12.8317 12.8535 12.8535 13.1016 13.1016 14.5534 14.5534 15.4780 15.4780 k = 0.2143 0.2143-0.0000 ( 3817 PWs) bands (ev): -41.7481 -41.7481 -41.7454 -41.7454 -19.4571 -19.4571 -19.4310 -19.4310 -17.4278 -17.4278 -17.3771 -17.3771 -17.3664 -17.3664 -17.3533 -17.3533 0.3274 0.3274 2.2580 2.2580 2.4567 2.4567 5.3172 5.3172 7.1418 7.1418 8.5847 8.5847 9.2644 9.2644 9.4949 9.4949 9.7432 9.7432 10.3737 10.3737 11.2185 11.2185 11.9119 11.9119 12.1536 12.1536 12.7597 12.7597 12.8586 12.8586 13.1530 13.1530 14.5302 14.5302 15.4736 15.4736 k = 0.2063 0.2063-0.0000 ( 3817 PWs) bands (ev): -41.7486 -41.7486 -41.7458 -41.7458 -19.4558 -19.4558 -19.4290 -19.4290 -17.4277 -17.4277 -17.3743 -17.3743 -17.3642 -17.3642 -17.3497 -17.3497 0.2523 0.2523 2.2246 2.2246 2.4249 2.4249 5.3948 5.3948 7.1906 7.1906 8.6001 8.6001 9.2921 9.2921 9.5214 9.5214 9.7277 9.7277 10.3986 10.3986 11.2677 11.2677 11.9054 11.9054 12.2891 12.2891 12.6801 12.6801 12.8520 12.8520 13.2406 13.2406 14.5125 14.5125 15.4672 15.4672 k = 0.1984 0.1984-0.0000 ( 3811 PWs) bands (ev): -41.7491 -41.7491 -41.7461 -41.7461 -19.4545 -19.4545 -19.4270 -19.4270 -17.4276 -17.4276 -17.3718 -17.3718 -17.3617 -17.3617 -17.3460 -17.3460 0.1794 0.1794 2.1922 2.1922 2.3923 2.3923 5.4743 5.4743 7.2391 7.2391 8.6215 8.6215 9.3074 9.3074 9.5448 9.5448 9.7130 9.7130 10.4382 10.4382 11.3171 11.3171 11.8836 11.8836 12.4182 12.4182 12.6024 12.6024 12.8474 12.8474 13.3423 13.3423 14.5012 14.5012 15.4589 15.4589 k = 0.1905 0.1905-0.0000 ( 3813 PWs) bands (ev): -41.7496 -41.7496 -41.7465 -41.7465 -19.4533 -19.4533 -19.4250 -19.4250 -17.4275 -17.4275 -17.3695 -17.3695 -17.3590 -17.3590 -17.3423 -17.3423 0.1088 0.1088 2.1608 2.1608 2.3592 2.3592 5.5555 5.5555 7.2873 7.2873 8.6485 8.6485 9.3108 9.3108 9.5647 9.5647 9.6990 9.6990 10.4923 10.4923 11.3665 11.3665 11.8492 11.8492 12.5128 12.5128 12.5529 12.5529 12.8519 12.8519 13.4491 13.4491 14.4968 14.4968 15.4488 15.4488 k = 0.1825 0.1825-0.0000 ( 3813 PWs) bands (ev): -41.7501 -41.7501 -41.7469 -41.7469 -19.4520 -19.4520 -19.4230 -19.4230 -17.4274 -17.4274 -17.3675 -17.3675 -17.3562 -17.3562 -17.3387 -17.3387 0.0406 0.0406 2.1304 2.1304 2.3257 2.3257 5.6385 5.6385 7.3350 7.3350 8.6805 8.6805 9.3037 9.3037 9.5803 9.5803 9.6858 9.6858 10.5592 10.5592 11.4157 11.4157 11.8051 11.8051 12.4494 12.4494 12.6533 12.6533 12.8670 12.8670 13.5577 13.5577 14.4997 14.4997 15.4373 15.4373 k = 0.1746 0.1746-0.0000 ( 3817 PWs) bands (ev): -41.7507 -41.7507 -41.7472 -41.7472 -19.4508 -19.4508 -19.4211 -19.4211 -17.4274 -17.4274 -17.3657 -17.3657 -17.3532 -17.3532 -17.3351 -17.3351 -0.0253 -0.0253 2.1011 2.1011 2.2920 2.2920 5.7232 5.7232 7.3824 7.3824 8.7166 8.7166 9.2881 9.2881 9.5912 9.5912 9.6735 9.6735 10.6370 10.6370 11.4644 11.4644 11.7548 11.7548 12.3807 12.3807 12.7479 12.7479 12.8938 12.8938 13.6662 13.6662 14.5104 14.5104 15.4244 15.4244 k = 0.1667 0.1667-0.0000 ( 3813 PWs) bands (ev): -41.7512 -41.7512 -41.7476 -41.7476 -19.4496 -19.4496 -19.4192 -19.4192 -17.4273 -17.4273 -17.3641 -17.3641 -17.3502 -17.3502 -17.3316 -17.3316 -0.0887 -0.0887 2.0730 2.0730 2.2584 2.2584 5.8095 5.8095 7.4293 7.4293 8.7559 8.7559 9.2659 9.2659 9.5966 9.5966 9.6622 9.6622 10.7234 10.7234 11.5124 11.5124 11.7016 11.7016 12.3162 12.3162 12.8229 12.8229 12.9349 12.9349 13.7734 13.7734 14.5287 14.5287 15.4104 15.4104 k = 0.1587 0.1587-0.0000 ( 3807 PWs) bands (ev): -41.7516 -41.7516 -41.7479 -41.7479 -19.4485 -19.4485 -19.4174 -19.4174 -17.4273 -17.4273 -17.3626 -17.3626 -17.3471 -17.3471 -17.3281 -17.3281 -0.1496 -0.1496 2.0460 2.0460 2.2250 2.2250 5.8974 5.8974 7.4761 7.4761 8.7972 8.7972 9.2390 9.2390 9.5958 9.5958 9.6517 9.6517 10.8163 10.8163 11.5583 11.5583 11.6495 11.6495 12.2570 12.2570 12.8761 12.8761 12.9900 12.9900 13.8782 13.8782 14.5540 14.5540 15.3955 15.3955 k = 0.1508 0.1508-0.0000 ( 3811 PWs) bands (ev): -41.7521 -41.7521 -41.7482 -41.7482 -19.4474 -19.4474 -19.4157 -19.4157 -17.4273 -17.4273 -17.3612 -17.3612 -17.3441 -17.3441 -17.3247 -17.3247 -0.2078 -0.2078 2.0202 2.0202 2.1920 2.1920 5.9867 5.9867 7.5229 7.5229 8.8392 8.8392 9.2088 9.2088 9.5886 9.5886 9.6420 9.6420 10.9135 10.9135 11.5815 11.5815 11.6214 11.6214 12.2038 12.2038 12.9156 12.9156 13.0496 13.0496 13.9796 13.9796 14.5854 14.5854 15.3797 15.3797 k = 0.1429 0.1429-0.0000 ( 3809 PWs) bands (ev): -41.7525 -41.7525 -41.7485 -41.7485 -19.4463 -19.4463 -19.4140 -19.4140 -17.4273 -17.4273 -17.3599 -17.3599 -17.3412 -17.3412 -17.3214 -17.3214 -0.2635 -0.2635 1.9956 1.9956 2.1595 2.1595 6.0775 6.0775 7.5698 7.5698 8.8803 8.8803 9.1769 9.1769 9.5746 9.5746 9.6327 9.6327 11.0135 11.0135 11.5428 11.5428 11.6585 11.6585 12.1572 12.1572 12.9487 12.9487 13.1058 13.1058 14.0762 14.0762 14.6215 14.6215 15.3630 15.3630 k = 0.1349 0.1349-0.0000 ( 3811 PWs) bands (ev): -41.7530 -41.7530 -41.7488 -41.7488 -19.4453 -19.4453 -19.4123 -19.4123 -17.4272 -17.4272 -17.3586 -17.3586 -17.3383 -17.3383 -17.3182 -17.3182 -0.3164 -0.3164 1.9723 1.9723 2.1278 2.1278 6.1695 6.1695 7.6171 7.6171 8.9190 8.9190 9.1441 9.1441 9.5536 9.5536 9.6238 9.6238 11.1146 11.1146 11.5027 11.5027 11.7024 11.7024 12.1178 12.1178 12.9783 12.9783 13.1561 13.1561 14.1662 14.1662 14.6604 14.6604 15.3450 15.3450 k = 0.1270 0.1270-0.0000 ( 3819 PWs) bands (ev): -41.7534 -41.7534 -41.7493 -41.7493 -19.4443 -19.4443 -19.4108 -19.4108 -17.4272 -17.4272 -17.3574 -17.3574 -17.3355 -17.3355 -17.3151 -17.3151 -0.3665 -0.3665 1.9502 1.9502 2.0971 2.0971 6.2627 6.2627 7.6650 7.6650 8.9532 8.9532 9.1118 9.1118 9.5250 9.5250 9.6153 9.6153 11.2152 11.2152 11.4700 11.4700 11.7459 11.7459 12.0857 12.0857 13.0050 13.0050 13.2005 13.2005 14.2475 14.2475 14.6999 14.6999 15.3241 15.3241 k = 0.1190 0.1190-0.0000 ( 3821 PWs) bands (ev): -41.7538 -41.7538 -41.7496 -41.7496 -19.4434 -19.4434 -19.4093 -19.4093 -17.4272 -17.4272 -17.3563 -17.3563 -17.3329 -17.3329 -17.3121 -17.3121 -0.4139 -0.4139 1.9294 1.9294 2.0674 2.0674 6.3570 6.3570 7.7136 7.7136 8.9806 8.9806 9.0812 9.0812 9.4887 9.4887 9.6076 9.6076 11.3139 11.3139 11.4471 11.4471 11.7882 11.7882 12.0611 12.0611 13.0286 13.0286 13.2400 13.2400 14.3170 14.3170 14.7380 14.7380 15.2968 15.2968 k = 0.1111 0.1111-0.0000 ( 3825 PWs) bands (ev): -41.7542 -41.7542 -41.7499 -41.7499 -19.4425 -19.4425 -19.4078 -19.4078 -17.4272 -17.4272 -17.3553 -17.3553 -17.3303 -17.3303 -17.3093 -17.3093 -0.4584 -0.4584 1.9099 1.9099 2.0389 2.0389 6.4521 6.4521 7.7632 7.7632 8.9963 8.9963 9.0564 9.0564 9.4448 9.4448 9.6005 9.6005 11.4059 11.4059 11.4387 11.4387 11.8292 11.8292 12.0438 12.0438 13.0488 13.0488 13.2759 13.2759 14.3707 14.3707 14.7723 14.7723 15.2624 15.2624 k = 0.1032 0.1032-0.0000 ( 3821 PWs) bands (ev): -41.7545 -41.7545 -41.7501 -41.7501 -19.4417 -19.4417 -19.4065 -19.4065 -17.4272 -17.4272 -17.3543 -17.3543 -17.3279 -17.3279 -17.3066 -17.3066 -0.5001 -0.5001 1.8917 1.8917 2.0117 2.0117 6.5479 6.5479 7.8138 7.8138 8.9912 8.9912 9.0456 9.0456 9.3937 9.3937 9.5941 9.5941 11.4307 11.4307 11.5051 11.5051 11.8688 11.8688 12.0334 12.0334 13.0649 13.0649 13.3094 13.3094 14.4041 14.4041 14.8012 14.8012 15.2305 15.2305 k = 0.0952 0.0952-0.0000 ( 3831 PWs) bands (ev): -41.7548 -41.7548 -41.7506 -41.7506 -19.4409 -19.4409 -19.4052 -19.4052 -17.4272 -17.4272 -17.3534 -17.3534 -17.3256 -17.3256 -17.3041 -17.3041 -0.5388 -0.5388 1.8748 1.8748 1.9861 1.9861 6.6442 6.6442 7.8655 7.8655 8.9699 8.9699 9.0436 9.0436 9.3362 9.3362 9.5883 9.5883 11.4435 11.4435 11.5906 11.5906 11.9069 11.9069 12.0294 12.0294 13.0763 13.0763 13.3417 13.3417 14.4134 14.4134 14.8248 14.8248 15.2100 15.2100 k = 0.0873 0.0873-0.0000 ( 3821 PWs) bands (ev): -41.7551 -41.7551 -41.7506 -41.7506 -19.4402 -19.4402 -19.4041 -19.4041 -17.4272 -17.4272 -17.3526 -17.3526 -17.3235 -17.3235 -17.3018 -17.3018 -0.5745 -0.5745 1.8593 1.8593 1.9620 1.9620 6.7405 6.7405 7.9184 7.9184 8.9447 8.9447 9.0377 9.0377 9.2730 9.2730 9.5832 9.5832 11.4681 11.4681 11.6702 11.6702 11.9434 11.9434 12.0310 12.0310 13.0823 13.0823 13.3738 13.3738 14.3978 14.3978 14.8449 14.8449 15.2012 15.2012 k = 0.0794 0.0794-0.0000 ( 3825 PWs) bands (ev): -41.7554 -41.7554 -41.7509 -41.7509 -19.4395 -19.4395 -19.4030 -19.4030 -17.4272 -17.4272 -17.3518 -17.3518 -17.3215 -17.3215 -17.2996 -17.2996 -0.6073 -0.6073 1.8451 1.8451 1.9397 1.9397 6.8366 6.8366 7.9726 7.9726 8.9199 8.9199 9.0239 9.0239 9.2054 9.2054 9.5786 9.5786 11.5045 11.5045 11.7425 11.7425 11.9784 11.9784 12.0375 12.0375 13.0818 13.0818 13.4061 13.4061 14.3611 14.3611 14.8637 14.8637 15.1991 15.1991 k = 0.0714 0.0714-0.0000 ( 3831 PWs) bands (ev): -41.7556 -41.7556 -41.7512 -41.7512 -19.4389 -19.4389 -19.4020 -19.4020 -17.4272 -17.4272 -17.3511 -17.3511 -17.3197 -17.3197 -17.2976 -17.2976 -0.6370 -0.6370 1.8322 1.8322 1.9191 1.9191 6.9319 6.9319 8.0280 8.0280 8.8964 8.8964 9.0010 9.0010 9.1348 9.1348 9.5746 9.5746 11.5519 11.5519 11.8065 11.8065 12.0118 12.0118 12.0480 12.0480 13.0740 13.0740 13.4390 13.4390 14.3102 14.3102 14.8819 14.8819 15.1996 15.1996 k = 0.0635 0.0635-0.0000 ( 3831 PWs) bands (ev): -41.7558 -41.7558 -41.7514 -41.7514 -19.4384 -19.4384 -19.4011 -19.4011 -17.4272 -17.4272 -17.3505 -17.3505 -17.3181 -17.3181 -17.2958 -17.2958 -0.6636 -0.6636 1.8207 1.8207 1.9005 1.9005 7.0258 7.0258 8.0846 8.0846 8.8749 8.8749 8.9684 8.9684 9.0636 9.0636 9.5711 9.5711 11.6087 11.6087 11.8619 11.8619 12.0436 12.0436 12.0618 12.0618 13.0581 13.0581 13.4722 13.4722 14.2519 14.2519 14.8994 14.8994 15.2014 15.2014 k = 0.0556 0.0556-0.0000 ( 3835 PWs) bands (ev): -41.7560 -41.7560 -41.7516 -41.7516 -19.4379 -19.4379 -19.4003 -19.4003 -17.4272 -17.4272 -17.3499 -17.3499 -17.3166 -17.3166 -17.2942 -17.2942 -0.6872 -0.6872 1.8106 1.8106 1.8838 1.8838 7.1174 7.1174 8.1423 8.1423 8.8554 8.8554 8.9246 8.9246 8.9954 8.9954 9.5680 9.5680 11.6730 11.6730 11.9086 11.9086 12.0733 12.0733 12.0781 12.0781 13.0333 13.0333 13.5051 13.5051 14.1922 14.1922 14.9156 14.9156 15.2047 15.2047 k = 0.0476 0.0476-0.0000 ( 3851 PWs) bands (ev): -41.7564 -41.7564 -41.7518 -41.7518 -19.4375 -19.4375 -19.3997 -19.3997 -17.4272 -17.4272 -17.3494 -17.3494 -17.3154 -17.3154 -17.2929 -17.2929 -0.7077 -0.7077 1.8018 1.8018 1.8692 1.8692 7.2055 7.2055 8.2010 8.2010 8.8378 8.8378 8.8687 8.8687 8.9343 8.9343 9.5654 9.5654 11.7422 11.7422 11.9469 11.9469 12.0966 12.0966 12.1007 12.1007 12.9996 12.9996 13.5368 13.5368 14.1355 14.1355 14.9299 14.9299 15.2102 15.2102 k = 0.0397 0.0397-0.0000 ( 3847 PWs) bands (ev): -41.7565 -41.7565 -41.7519 -41.7519 -19.4371 -19.4371 -19.3991 -19.3991 -17.4271 -17.4271 -17.3490 -17.3490 -17.3143 -17.3143 -17.2917 -17.2917 -0.7251 -0.7251 1.7944 1.7944 1.8568 1.8568 7.2885 7.2885 8.2604 8.2604 8.8039 8.8039 8.8225 8.8225 8.8797 8.8797 9.5632 9.5632 11.8128 11.8128 11.9775 11.9775 12.1172 12.1172 12.1251 12.1251 12.9576 12.9576 13.5664 13.5664 14.0850 14.0850 14.9421 14.9421 15.2180 15.2180 k = 0.0317 0.0317-0.0000 ( 3843 PWs) bands (ev): -41.7566 -41.7566 -41.7520 -41.7520 -19.4368 -19.4368 -19.3986 -19.3986 -17.4271 -17.4271 -17.3486 -17.3486 -17.3134 -17.3134 -17.2907 -17.2907 -0.7393 -0.7393 1.7883 1.7883 1.8465 1.8465 7.3642 7.3642 8.3203 8.3203 8.7395 8.7395 8.8033 8.8033 8.8324 8.8324 9.5615 9.5615 11.8801 11.8801 12.0011 12.0011 12.1402 12.1402 12.1461 12.1461 12.9091 12.9091 13.5926 13.5926 14.0426 14.0426 14.9519 14.9519 15.2280 15.2280 k = 0.0238 0.0238-0.0000 ( 3843 PWs) bands (ev): -41.7566 -41.7566 -41.7521 -41.7521 -19.4366 -19.4366 -19.3982 -19.3982 -17.4271 -17.4271 -17.3484 -17.3484 -17.3127 -17.3127 -17.2899 -17.2899 -0.7504 -0.7504 1.7836 1.7836 1.8384 1.8384 7.4296 7.4296 8.3802 8.3802 8.6803 8.6803 8.7624 8.7624 8.8095 8.8095 9.5601 9.5601 11.9385 11.9385 12.0185 12.0185 12.1609 12.1609 12.1688 12.1688 12.8577 12.8577 13.6143 13.6143 14.0093 14.0093 14.9592 14.9592 15.2390 15.2390 k = 0.0159 0.0159-0.0000 ( 3831 PWs) bands (ev): -41.7566 -41.7566 -41.7520 -41.7520 -19.4364 -19.4364 -19.3979 -19.3979 -17.4271 -17.4271 -17.3482 -17.3482 -17.3122 -17.3122 -17.2894 -17.2894 -0.7583 -0.7583 1.7803 1.7803 1.8327 1.8327 7.4810 7.4810 8.4393 8.4393 8.6306 8.6306 8.7119 8.7119 8.8006 8.8006 9.5592 9.5592 11.9823 11.9823 12.0301 12.0301 12.1733 12.1733 12.1977 12.1977 12.8096 12.8096 13.6307 13.6307 13.9856 13.9856 14.9642 14.9642 15.2492 15.2492 k = 0.0079 0.0079-0.0000 ( 3825 PWs) bands (ev): -41.7565 -41.7565 -41.7521 -41.7521 -19.4363 -19.4363 -19.3978 -19.3978 -17.4271 -17.4271 -17.3481 -17.3481 -17.3119 -17.3119 -17.2890 -17.2890 -0.7631 -0.7631 1.7782 1.7782 1.8292 1.8292 7.5142 7.5142 8.4956 8.4956 8.5908 8.5908 8.6674 8.6674 8.7959 8.7959 9.5587 9.5587 12.0087 12.0087 12.0364 12.0364 12.1806 12.1806 12.2229 12.2229 12.7736 12.7736 13.6408 13.6408 13.9715 13.9715 14.9671 14.9671 15.2565 15.2565 k = 0.0000 0.0000 0.0000 ( 3817 PWs) bands (ev): -41.7566 -41.7566 -41.7519 -41.7519 -19.4363 -19.4363 -19.3977 -19.3977 -17.4271 -17.4271 -17.3480 -17.3480 -17.3118 -17.3118 -17.2889 -17.2889 -0.7647 -0.7647 1.7776 1.7776 1.8280 1.8280 7.5257 7.5257 8.5359 8.5359 8.5604 8.5604 8.6476 8.6476 8.7944 8.7944 9.5585 9.5585 12.0176 12.0176 12.0381 12.0381 12.1830 12.1830 12.2332 12.2332 12.7600 12.7600 13.6443 13.6443 13.9668 13.9668 14.9681 14.9681 15.2592 15.2592 k = 0.0000 0.0000 0.0000 ( 3817 PWs) bands (ev): -41.7566 -41.7566 -41.7519 -41.7519 -19.4363 -19.4363 -19.3977 -19.3977 -17.4271 -17.4271 -17.3480 -17.3480 -17.3118 -17.3118 -17.2889 -17.2889 -0.7647 -0.7647 1.7776 1.7776 1.8280 1.8280 7.5257 7.5257 8.5359 8.5359 8.5604 8.5604 8.6476 8.6476 8.7944 8.7944 9.5585 9.5585 12.0176 12.0176 12.0381 12.0381 12.1830 12.1830 12.2332 12.2332 12.7600 12.7600 13.6443 13.6443 13.9668 13.9668 14.9681 14.9681 15.2592 15.2592 k = 0.0000 0.0000 0.0112 ( 3825 PWs) bands (ev): -41.7565 -41.7565 -41.7521 -41.7521 -19.4363 -19.4363 -19.3977 -19.3977 -17.4271 -17.4271 -17.3480 -17.3480 -17.3118 -17.3118 -17.2889 -17.2889 -0.7639 -0.7639 1.7215 1.7215 1.8848 1.8848 7.5257 7.5257 8.4709 8.4709 8.5606 8.5606 8.6486 8.6486 8.8614 8.8614 9.5583 9.5583 11.9710 11.9710 12.0861 12.0861 12.1446 12.1446 12.2732 12.2732 12.7612 12.7612 13.6443 13.6443 13.9667 13.9667 14.9657 14.9657 15.2568 15.2568 k = 0.0000 0.0000 0.0223 ( 3833 PWs) bands (ev): -41.7566 -41.7566 -41.7521 -41.7521 -19.4363 -19.4363 -19.3977 -19.3977 -17.4271 -17.4271 -17.3481 -17.3481 -17.3118 -17.3118 -17.2889 -17.2889 -0.7615 -0.7615 1.6471 1.6471 1.9613 1.9613 7.5259 7.5259 8.3505 8.3505 8.5609 8.5609 8.6493 8.6493 8.9898 8.9898 9.5578 9.5578 11.9172 11.9172 12.0905 12.0905 12.1442 12.1442 12.3321 12.3321 12.7648 12.7648 13.6445 13.6445 13.9665 13.9665 14.9584 14.9584 15.2497 15.2497 k = 0.0000 0.0000 0.0335 ( 3841 PWs) bands (ev): -41.7567 -41.7567 -41.7522 -41.7522 -19.4363 -19.4363 -19.3977 -19.3977 -17.4271 -17.4271 -17.3481 -17.3481 -17.3118 -17.3118 -17.2889 -17.2889 -0.7575 -0.7575 1.5727 1.5727 2.0392 2.0392 7.5261 7.5261 8.2207 8.2207 8.5614 8.5614 8.6500 8.6500 9.1335 9.1335 9.5570 9.5570 11.8649 11.8649 12.0368 12.0368 12.2036 12.2036 12.3938 12.3938 12.7707 12.7707 13.6448 13.6448 13.9661 13.9661 14.9465 14.9465 15.2379 15.2379 k = 0.0000 0.0000 0.0447 ( 3841 PWs) bands (ev): -41.7567 -41.7567 -41.7522 -41.7522 -19.4362 -19.4362 -19.3978 -19.3978 -17.4270 -17.4270 -17.3482 -17.3482 -17.3118 -17.3118 -17.2889 -17.2889 -0.7520 -0.7520 1.4995 1.4995 2.1171 2.1171 7.5264 7.5264 8.0907 8.0907 8.5622 8.5622 8.6509 8.6509 9.2831 9.2831 9.5558 9.5558 11.8146 11.8146 11.9849 11.9849 12.2638 12.2638 12.4568 12.4568 12.7785 12.7785 13.6452 13.6452 13.9656 13.9656 14.9298 14.9298 15.2216 15.2216 k = 0.0000 0.0000 0.0559 ( 3853 PWs) bands (ev): -41.7569 -41.7569 -41.7522 -41.7522 -19.4362 -19.4362 -19.3978 -19.3978 -17.4269 -17.4269 -17.3483 -17.3483 -17.3118 -17.3118 -17.2890 -17.2890 -0.7451 -0.7451 1.4281 1.4281 2.1946 2.1946 7.5268 7.5268 7.9631 7.9631 8.5631 8.5631 8.6519 8.6519 9.4361 9.4361 9.5544 9.5544 11.7663 11.7663 11.9351 11.9351 12.3244 12.3244 12.5206 12.5206 12.7880 12.7880 13.6456 13.6456 13.9650 13.9650 14.9085 14.9085 15.2011 15.2011 k = 0.0000 0.0000 0.0670 ( 3849 PWs) bands (ev): -41.7568 -41.7568 -41.7522 -41.7522 -19.4362 -19.4362 -19.3978 -19.3978 -17.4268 -17.4268 -17.3484 -17.3484 -17.3118 -17.3118 -17.2890 -17.2890 -0.7369 -0.7369 1.3587 1.3587 2.2710 2.2710 7.5273 7.5273 7.8390 7.8390 8.5642 8.5642 8.6531 8.6531 9.5528 9.5528 9.5910 9.5910 11.7204 11.7204 11.8876 11.8876 12.3852 12.3852 12.5849 12.5849 12.7986 12.7986 13.6462 13.6462 13.9643 13.9643 14.8826 14.8826 15.1767 15.1767 k = 0.0000 0.0000 0.0782 ( 3849 PWs) bands (ev): -41.7568 -41.7568 -41.7522 -41.7522 -19.4361 -19.4361 -19.3979 -19.3979 -17.4268 -17.4268 -17.3485 -17.3485 -17.3118 -17.3118 -17.2890 -17.2890 -0.7274 -0.7274 1.2917 1.2917 2.3461 2.3461 7.5278 7.5278 7.7195 7.7195 8.5654 8.5654 8.6544 8.6544 9.5509 9.5509 9.7472 9.7472 11.6770 11.6770 11.8427 11.8427 12.4457 12.4457 12.6492 12.6492 12.8096 12.8096 13.6469 13.6469 13.9635 13.9635 14.8520 14.8520 15.1488 15.1488 k = 0.0000 0.0000 0.0894 ( 3841 PWs) bands (ev): -41.7568 -41.7568 -41.7521 -41.7521 -19.4361 -19.4361 -19.3979 -19.3979 -17.4266 -17.4266 -17.3486 -17.3486 -17.3117 -17.3117 -17.2890 -17.2890 -0.7170 -0.7170 1.2275 1.2275 2.4192 2.4192 7.5284 7.5284 7.6050 7.6050 8.5667 8.5667 8.6558 8.6558 9.5489 9.5489 9.9039 9.9039 11.6362 11.6362 11.8006 11.8006 12.5055 12.5055 12.7131 12.7131 12.8202 12.8202 13.6476 13.6476 13.9626 13.9626 14.8164 14.8164 15.0956 15.0956 k = 0.0000 0.0000 0.1005 ( 3829 PWs) bands (ev): -41.7569 -41.7569 -41.7519 -41.7519 -19.4360 -19.4360 -19.3980 -19.3980 -17.4265 -17.4265 -17.3487 -17.3487 -17.3117 -17.3117 -17.2890 -17.2890 -0.7057 -0.7057 1.1662 1.1662 2.4899 2.4899 7.4961 7.4961 7.5290 7.5290 8.5682 8.5682 8.6573 8.6573 9.5468 9.5468 10.0603 10.0603 11.5981 11.5981 11.7613 11.7613 12.5642 12.5642 12.7762 12.7762 12.8294 12.8294 13.6484 13.6484 13.9617 13.9617 14.7752 14.7752 15.0103 15.0103 k = 0.0000 0.0000 0.1117 ( 3837 PWs) bands (ev): -41.7570 -41.7570 -41.7519 -41.7519 -19.4360 -19.4360 -19.3980 -19.3980 -17.4264 -17.4264 -17.3488 -17.3488 -17.3117 -17.3117 -17.2890 -17.2890 -0.6938 -0.6938 1.1084 1.1084 2.5576 2.5576 7.3936 7.3936 7.5296 7.5296 8.5696 8.5696 8.6589 8.6589 9.5447 9.5447 10.2158 10.2158 11.5629 11.5629 11.7250 11.7250 12.6211 12.6211 12.8360 12.8360 12.8379 12.8379 13.6492 13.6492 13.9607 13.9607 14.7272 14.7272 14.9307 14.9307 k = 0.0000 0.0000 0.1229 ( 3841 PWs) bands (ev): -41.7569 -41.7569 -41.7520 -41.7520 -19.4359 -19.4359 -19.3981 -19.3981 -17.4263 -17.4263 -17.3489 -17.3489 -17.3117 -17.3117 -17.2890 -17.2890 -0.6815 -0.6815 1.0542 1.0542 2.6218 2.6218 7.2979 7.2979 7.5303 7.5303 8.5710 8.5710 8.6605 8.6605 9.5426 9.5426 10.3694 10.3694 11.5306 11.5306 11.6918 11.6918 12.6753 12.6753 12.8390 12.8390 12.8977 12.8977 13.6500 13.6500 13.9597 13.9597 14.6724 14.6724 14.8606 14.8606 k = 0.0000 0.0000 0.1341 ( 3841 PWs) bands (ev): -41.7569 -41.7569 -41.7520 -41.7520 -19.4359 -19.4359 -19.3981 -19.3981 -17.4262 -17.4262 -17.3490 -17.3490 -17.3117 -17.3117 -17.2890 -17.2890 -0.6692 -0.6692 1.0043 1.0043 2.6818 2.6818 7.2098 7.2098 7.5309 7.5309 8.5725 8.5725 8.6620 8.6620 9.5405 9.5405 10.5200 10.5200 11.5015 11.5015 11.6617 11.6617 12.7251 12.7251 12.8378 12.8378 12.9548 12.9548 13.6508 13.6508 13.9587 13.9587 14.6126 14.6126 14.8014 14.8014 k = 0.0000 0.0000 0.1452 ( 3837 PWs) bands (ev): -41.7569 -41.7569 -41.7520 -41.7520 -19.4358 -19.4358 -19.3981 -19.3981 -17.4261 -17.4261 -17.3491 -17.3491 -17.3117 -17.3117 -17.2890 -17.2890 -0.6572 -0.6572 0.9588 0.9588 2.7369 2.7369 7.1298 7.1298 7.5314 7.5314 8.5738 8.5738 8.6634 8.6634 9.5385 9.5385 10.6662 10.6662 11.4755 11.4755 11.6350 11.6350 12.7654 12.7654 12.8358 12.8358 13.0086 13.0086 13.6517 13.6517 13.9577 13.9577 14.5527 14.5527 14.7521 14.7521 k = 0.0000 0.0000 0.1564 ( 3837 PWs) bands (ev): -41.7568 -41.7568 -41.7520 -41.7520 -19.4358 -19.4358 -19.3982 -19.3982 -17.4260 -17.4260 -17.3492 -17.3492 -17.3117 -17.3117 -17.2890 -17.2890 -0.6457 -0.6457 0.9182 0.9182 2.7865 2.7865 7.0587 7.0587 7.5320 7.5320 8.5751 8.5751 8.6648 8.6648 9.5366 9.5366 10.8060 10.8060 11.4528 11.4528 11.6117 11.6117 12.7786 12.7786 12.8489 12.8489 13.0582 13.0582 13.6524 13.6524 13.9568 13.9568 14.4978 14.4978 14.7107 14.7107 k = 0.0000 0.0000 0.1676 ( 3829 PWs) bands (ev): -41.7567 -41.7567 -41.7520 -41.7520 -19.4358 -19.4358 -19.3982 -19.3982 -17.4259 -17.4259 -17.3493 -17.3493 -17.3117 -17.3117 -17.2890 -17.2890 -0.6352 -0.6352 0.8830 0.8830 2.8299 2.8299 6.9971 6.9971 7.5324 7.5324 8.5762 8.5762 8.6660 8.6660 9.5350 9.5350 10.9368 10.9368 11.4334 11.4334 11.5918 11.5918 12.7616 12.7616 12.8796 12.8796 13.1026 13.1026 13.6531 13.6531 13.9559 13.9559 14.4517 14.4517 14.6761 14.6761 k = 0.0000 0.0000 0.1787 ( 3833 PWs) bands (ev): -41.7567 -41.7567 -41.7520 -41.7520 -19.4358 -19.4358 -19.3982 -19.3982 -17.4258 -17.4258 -17.3494 -17.3494 -17.3117 -17.3117 -17.2890 -17.2890 -0.6260 -0.6260 0.8535 0.8535 2.8664 2.8664 6.9457 6.9457 7.5329 7.5329 8.5771 8.5771 8.6670 8.6670 9.5336 9.5336 11.0554 11.0554 11.4174 11.4174 11.5754 11.5754 12.7321 12.7321 12.9112 12.9112 13.1409 13.1409 13.6537 13.6537 13.9552 13.9552 14.4163 14.4163 14.6476 14.6476 k = 0.0000 0.0000 0.1899 ( 3829 PWs) bands (ev): -41.7567 -41.7567 -41.7520 -41.7520 -19.4357 -19.4357 -19.3982 -19.3982 -17.4258 -17.4258 -17.3495 -17.3495 -17.3117 -17.3117 -17.2890 -17.2890 -0.6184 -0.6184 0.8301 0.8301 2.8956 2.8956 6.9050 6.9050 7.5332 7.5332 8.5779 8.5779 8.6679 8.6679 9.5325 9.5325 11.1573 11.1573 11.4048 11.4048 11.5626 11.5626 12.6985 12.6985 12.9381 12.9381 13.1720 13.1720 13.6542 13.6542 13.9545 13.9545 14.3916 14.3916 14.6256 14.6256 k = 0.0000 0.0000 0.2011 ( 3826 PWs) bands (ev): -41.7567 -41.7567 -41.7520 -41.7520 -19.4357 -19.4357 -19.3983 -19.3983 -17.4257 -17.4257 -17.3495 -17.3495 -17.3116 -17.3116 -17.2890 -17.2890 -0.6127 -0.6127 0.8131 0.8131 2.9168 2.9168 6.8755 6.8755 7.5334 7.5334 8.5785 8.5785 8.6685 8.6685 9.5317 9.5317 11.2371 11.2371 11.3957 11.3957 11.5534 11.5534 12.6671 12.6671 12.9582 12.9582 13.1950 13.1950 13.6545 13.6545 13.9541 13.9541 14.3764 14.3764 14.6103 14.6103 k = 0.0000 0.0000 0.2123 ( 3818 PWs) bands (ev): -41.7567 -41.7567 -41.7519 -41.7519 -19.4357 -19.4357 -19.3983 -19.3983 -17.4257 -17.4257 -17.3495 -17.3495 -17.3116 -17.3116 -17.2891 -17.2891 -0.6092 -0.6092 0.8028 0.8028 2.9296 2.9296 6.8577 6.8577 7.5336 7.5336 8.5788 8.5788 8.6688 8.6688 9.5312 9.5312 11.2885 11.2885 11.3900 11.3900 11.5479 11.5479 12.6446 12.6446 12.9707 12.9707 13.2092 13.2092 13.6547 13.6547 13.9538 13.9538 14.3685 14.3685 14.6013 14.6013 k = 0.0000 0.0000 0.2234 ( 3818 PWs) bands (ev): -41.7567 -41.7567 -41.7519 -41.7519 -19.4357 -19.4357 -19.3983 -19.3983 -17.4257 -17.4257 -17.3495 -17.3495 -17.3116 -17.3116 -17.2891 -17.2891 -0.6080 -0.6080 0.7994 0.7994 2.9340 2.9340 6.8517 6.8517 7.5336 7.5336 8.5789 8.5789 8.6690 8.6690 9.5310 9.5310 11.3065 11.3065 11.3880 11.3880 11.5461 11.5461 12.6364 12.6364 12.9749 12.9749 13.2139 13.2139 13.6548 13.6548 13.9537 13.9537 14.3661 14.3661 14.5985 14.5985 k = 0.0000 0.0000 0.2234 ( 3818 PWs) bands (ev): -41.7567 -41.7567 -41.7519 -41.7519 -19.4357 -19.4357 -19.3983 -19.3983 -17.4257 -17.4257 -17.3495 -17.3495 -17.3116 -17.3116 -17.2891 -17.2891 -0.6080 -0.6080 0.7994 0.7994 2.9340 2.9340 6.8517 6.8517 7.5336 7.5336 8.5789 8.5789 8.6690 8.6690 9.5310 9.5310 11.3065 11.3065 11.3880 11.3880 11.5461 11.5461 12.6364 12.6364 12.9749 12.9749 13.2139 13.2139 13.6548 13.6548 13.9537 13.9537 14.3661 14.3661 14.5985 14.5985 k = 0.0000 0.0111 0.2234 ( 3818 PWs) bands (ev): -41.7566 -41.7566 -41.7518 -41.7518 -19.4357 -19.4357 -19.3983 -19.3983 -17.4257 -17.4257 -17.3496 -17.3496 -17.3117 -17.3117 -17.2892 -17.2892 -0.6065 -0.6065 0.8006 0.8006 2.9342 2.9342 6.8523 6.8523 7.5222 7.5222 8.5843 8.5843 8.6744 8.6744 9.5309 9.5309 11.2944 11.2944 11.3958 11.3958 11.5483 11.5483 12.6134 12.6134 12.9813 12.9813 13.2151 13.2151 13.6516 13.6516 13.9668 13.9668 14.3677 14.3677 14.5793 14.5793 k = 0.0000 0.0222 0.2234 ( 3824 PWs) bands (ev): -41.7566 -41.7566 -41.7519 -41.7519 -19.4358 -19.4358 -19.3985 -19.3985 -17.4257 -17.4257 -17.3497 -17.3497 -17.3120 -17.3120 -17.2895 -17.2895 -0.6020 -0.6020 0.8043 0.8043 2.9349 2.9349 6.8539 6.8539 7.4891 7.4891 8.5977 8.5977 8.6924 8.6924 9.5304 9.5304 11.2668 11.2668 11.4102 11.4102 11.5555 11.5555 12.5542 12.5542 12.9854 12.9854 13.2261 13.2261 13.6420 13.6420 14.0040 14.0040 14.3723 14.3723 14.5233 14.5233 k = 0.0000 0.0333 0.2234 ( 3816 PWs) bands (ev): -41.7566 -41.7566 -41.7517 -41.7517 -19.4360 -19.4360 -19.3987 -19.3987 -17.4257 -17.4257 -17.3499 -17.3499 -17.3125 -17.3125 -17.2900 -17.2900 -0.5944 -0.5944 0.8104 0.8104 2.9361 2.9361 6.8562 6.8562 7.4379 7.4379 8.6133 8.6133 8.7257 8.7257 9.5295 9.5295 11.2328 11.2328 11.4214 11.4214 11.5686 11.5686 12.4740 12.4740 12.9665 12.9665 13.2570 13.2570 13.6269 13.6269 14.0608 14.0608 14.3778 14.3778 14.4476 14.4476 k = 0.0000 0.0444 0.2234 ( 3812 PWs) bands (ev): -41.7565 -41.7565 -41.7516 -41.7516 -19.4362 -19.4362 -19.3991 -19.3991 -17.4257 -17.4257 -17.3502 -17.3502 -17.3132 -17.3132 -17.2907 -17.2907 -0.5837 -0.5837 0.8190 0.8190 2.9378 2.9378 6.8582 6.8582 7.3731 7.3731 8.6279 8.6279 8.7737 8.7737 9.5279 9.5279 11.1957 11.1957 11.4261 11.4261 11.5877 11.5877 12.3821 12.3821 12.9235 12.9235 13.3046 13.3046 13.6070 13.6070 14.1318 14.1318 14.3459 14.3459 14.4033 14.4033 k = 0.0000 0.0556 0.2234 ( 3816 PWs) bands (ev): -41.7564 -41.7564 -41.7515 -41.7515 -19.4365 -19.4365 -19.3996 -19.3996 -17.4258 -17.4258 -17.3505 -17.3505 -17.3140 -17.3140 -17.2917 -17.2917 -0.5701 -0.5701 0.8300 0.8300 2.9399 2.9399 6.8582 6.8582 7.2999 7.2999 8.6420 8.6420 8.8329 8.8329 9.5253 9.5253 11.1567 11.1567 11.4245 11.4245 11.6116 11.6116 12.2833 12.2833 12.8652 12.8652 13.3593 13.3593 13.5834 13.5834 14.2127 14.2127 14.2598 14.2598 14.4134 14.4134 k = 0.0000 0.0667 0.2234 ( 3818 PWs) bands (ev): -41.7563 -41.7563 -41.7514 -41.7514 -19.4368 -19.4368 -19.4002 -19.4002 -17.4258 -17.4258 -17.3510 -17.3510 -17.3150 -17.3150 -17.2928 -17.2928 -0.5535 -0.5535 0.8435 0.8435 2.9424 2.9424 6.8526 6.8526 7.2247 7.2247 8.6567 8.6567 8.8993 8.8993 9.5215 9.5215 11.1169 11.1169 11.4175 11.4175 11.6389 11.6389 12.1804 12.1804 12.7984 12.7984 13.4144 13.4144 13.5574 13.5574 14.1671 14.1671 14.3025 14.3025 14.4305 14.4305 k = 0.0000 0.0778 0.2234 ( 3814 PWs) bands (ev): -41.7561 -41.7561 -41.7512 -41.7512 -19.4373 -19.4373 -19.4008 -19.4008 -17.4259 -17.4259 -17.3516 -17.3516 -17.3162 -17.3162 -17.2940 -17.2940 -0.5338 -0.5338 0.8593 0.8593 2.9453 2.9453 6.8344 6.8344 7.1565 7.1565 8.6726 8.6726 8.9703 8.9703 9.5160 9.5160 11.0769 11.0769 11.4062 11.4062 11.6682 11.6682 12.0750 12.0750 12.7269 12.7269 13.4646 13.4646 13.5315 13.5315 14.0756 14.0756 14.3959 14.3959 14.4516 14.4516 k = 0.0000 0.0889 0.2234 ( 3814 PWs) bands (ev): -41.7560 -41.7560 -41.7510 -41.7510 -19.4377 -19.4377 -19.4016 -19.4016 -17.4260 -17.4260 -17.3523 -17.3523 -17.3174 -17.3174 -17.2954 -17.2954 -0.5112 -0.5112 0.8775 0.8775 2.9486 2.9486 6.7935 6.7935 7.1071 7.1071 8.6901 8.6901 9.0440 9.0440 9.5082 9.5082 11.0374 11.0374 11.3913 11.3913 11.6985 11.6985 11.9688 11.9688 12.6531 12.6531 13.4853 13.4853 13.5288 13.5288 13.9860 13.9860 14.4678 14.4678 14.5008 14.5008 k = 0.0000 0.1000 0.2234 ( 3810 PWs) bands (ev): -41.7557 -41.7557 -41.7508 -41.7508 -19.4383 -19.4383 -19.4024 -19.4024 -17.4261 -17.4261 -17.3531 -17.3531 -17.3188 -17.3188 -17.2969 -17.2969 -0.4856 -0.4856 0.8980 0.8980 2.9522 2.9522 6.7246 6.7246 7.0830 7.0830 8.7094 8.7094 9.1191 9.1191 9.4977 9.4977 10.9990 10.9990 11.3732 11.3732 11.7283 11.7283 11.8639 11.8639 12.5783 12.5783 13.4612 13.4612 13.5630 13.5630 13.9006 13.9006 14.4950 14.4950 14.6001 14.6001 k = 0.0000 0.1111 0.2234 ( 3810 PWs) bands (ev): -41.7555 -41.7555 -41.7506 -41.7506 -19.4388 -19.4388 -19.4034 -19.4034 -17.4263 -17.4263 -17.3541 -17.3541 -17.3203 -17.3203 -17.2984 -17.2984 -0.4571 -0.4571 0.9207 0.9207 2.9560 2.9560 6.6330 6.6330 7.0796 7.0796 8.7306 8.7306 9.1944 9.1944 9.4839 9.4839 10.9624 10.9624 11.3521 11.3521 11.7334 11.7334 11.7851 11.7851 12.5037 12.5037 13.4314 13.4314 13.5909 13.5909 13.8238 13.8238 14.5215 14.5215 14.7042 14.7042 k = 0.0000 0.1222 0.2234 ( 3810 PWs) bands (ev): -41.7552 -41.7552 -41.7504 -41.7504 -19.4395 -19.4395 -19.4044 -19.4044 -17.4266 -17.4266 -17.3553 -17.3553 -17.3218 -17.3218 -17.3000 -17.3000 -0.4256 -0.4256 0.9458 0.9458 2.9601 2.9601 6.5269 6.5269 7.0893 7.0893 8.7537 8.7537 9.2690 9.2690 9.4665 9.4665 10.9282 10.9282 11.3283 11.3283 11.6434 11.6434 11.8038 11.8038 12.4297 12.4297 13.4011 13.4011 13.5971 13.5971 13.7666 13.7666 14.5493 14.5493 14.8102 14.8102 k = 0.0000 0.1333 0.2234 ( 3812 PWs) bands (ev): -41.7549 -41.7549 -41.7503 -41.7503 -19.4402 -19.4402 -19.4056 -19.4056 -17.4269 -17.4269 -17.3567 -17.3567 -17.3234 -17.3234 -17.3017 -17.3017 -0.3913 -0.3913 0.9730 0.9730 2.9644 2.9644 6.4120 6.4120 7.1072 7.1072 8.7787 8.7787 9.3408 9.3408 9.4461 9.4461 10.8971 10.8971 11.3020 11.3020 11.5427 11.5427 11.8362 11.8362 12.3569 12.3569 13.3709 13.3709 13.5660 13.5660 13.7444 13.7444 14.5784 14.5784 14.9145 14.9145 k = 0.0000 0.1444 0.2234 ( 3812 PWs) bands (ev): -41.7546 -41.7546 -41.7501 -41.7501 -19.4409 -19.4409 -19.4068 -19.4068 -17.4273 -17.4273 -17.3584 -17.3584 -17.3250 -17.3250 -17.3033 -17.3033 -0.3540 -0.3540 1.0024 1.0024 2.9688 2.9688 6.2914 6.2914 7.1304 7.1304 8.8055 8.8055 9.3932 9.3932 9.4380 9.4380 10.8697 10.8697 11.2732 11.2732 11.4447 11.4447 11.8703 11.8703 12.2857 12.2857 13.3408 13.3408 13.5079 13.5079 13.7474 13.7474 14.6084 14.6084 14.9383 14.9383 k = 0.0000 0.1556 0.2234 ( 3814 PWs) bands (ev): -41.7543 -41.7543 -41.7498 -41.7498 -19.4416 -19.4416 -19.4081 -19.4081 -17.4278 -17.4278 -17.3602 -17.3602 -17.3266 -17.3266 -17.3049 -17.3049 -0.3140 -0.3140 1.0338 1.0338 2.9732 2.9732 6.1667 6.1667 7.1576 7.1576 8.8342 8.8342 9.3755 9.3755 9.4917 9.4917 10.8462 10.8462 11.2420 11.2420 11.3513 11.3513 11.9051 11.9051 12.2164 12.2164 13.3105 13.3105 13.4424 13.4424 13.7568 13.7568 14.6393 14.6393 14.9543 14.9543 k = 0.0000 0.1667 0.2234 ( 3822 PWs) bands (ev): -41.7541 -41.7541 -41.7496 -41.7496 -19.4424 -19.4424 -19.4094 -19.4094 -17.4283 -17.4283 -17.3623 -17.3623 -17.3281 -17.3281 -17.3065 -17.3065 -0.2711 -0.2711 1.0674 1.0674 2.9776 2.9776 6.0390 6.0390 7.1879 7.1879 8.8647 8.8647 9.3389 9.3389 9.5546 9.5546 10.8268 10.8268 11.2086 11.2086 11.2646 11.2646 11.9400 11.9400 12.1494 12.1494 13.2785 13.2785 13.3788 13.3788 13.7651 13.7651 14.6708 14.6708 14.9674 14.9674 k = 0.0000 0.1778 0.2234 ( 3822 PWs) bands (ev): -41.7537 -41.7537 -41.7494 -41.7494 -19.4433 -19.4433 -19.4109 -19.4109 -17.4290 -17.4290 -17.3647 -17.3647 -17.3296 -17.3296 -17.3080 -17.3080 -0.2254 -0.2254 1.1028 1.1028 2.9818 2.9818 5.9091 5.9091 7.2209 7.2209 8.8968 8.8968 9.2954 9.2954 9.6131 9.6131 10.8116 10.8116 11.1713 11.1713 11.1883 11.1883 11.9745 11.9745 12.0854 12.0854 13.2420 13.2420 13.3225 13.3225 13.7700 13.7700 14.7026 14.7026 14.9773 14.9773 k = 0.0000 0.1889 0.2234 ( 3822 PWs) bands (ev): -41.7533 -41.7533 -41.7492 -41.7492 -19.4441 -19.4441 -19.4124 -19.4124 -17.4298 -17.4298 -17.3673 -17.3673 -17.3310 -17.3310 -17.3093 -17.3093 -0.1770 -0.1770 1.1402 1.1402 2.9859 2.9859 5.7775 5.7775 7.2561 7.2561 8.9307 8.9307 9.2464 9.2464 9.6645 9.6645 10.8003 10.8003 11.1147 11.1147 11.1400 11.1400 11.9999 11.9999 12.0328 12.0328 13.1982 13.1982 13.2775 13.2775 13.7710 13.7710 14.7343 14.7343 14.9821 14.9821 k = 0.0000 0.2000 0.2234 ( 3820 PWs) bands (ev): -41.7530 -41.7530 -41.7488 -41.7488 -19.4450 -19.4450 -19.4139 -19.4139 -17.4307 -17.4307 -17.3701 -17.3701 -17.3323 -17.3323 -17.3106 -17.3106 -0.1258 -0.1258 1.1794 1.1794 2.9897 2.9897 5.6446 5.6446 7.2932 7.2932 8.9660 8.9660 9.1925 9.1925 9.7063 9.7063 10.7925 10.7925 11.0602 11.0602 11.1013 11.1013 11.9578 11.9578 12.0497 12.0497 13.1487 13.1487 13.2424 13.2424 13.7679 13.7679 14.7655 14.7655 14.9754 14.9754 k = 0.0000 0.2111 0.2234 ( 3824 PWs) bands (ev): -41.7526 -41.7526 -41.7486 -41.7486 -19.4459 -19.4459 -19.4156 -19.4156 -17.4317 -17.4317 -17.3732 -17.3732 -17.3335 -17.3335 -17.3118 -17.3118 -0.0720 -0.0720 1.2204 1.2204 2.9931 2.9931 5.5107 5.5107 7.3319 7.3319 9.0025 9.0025 9.1344 9.1344 9.7363 9.7363 10.7874 10.7874 11.0204 11.0204 11.0622 11.0622 11.9022 11.9022 12.0819 12.0819 13.0988 13.0988 13.2126 13.2126 13.7608 13.7608 14.7957 14.7957 14.9463 14.9463 k = 0.0000 0.2222 0.2234 ( 3824 PWs) bands (ev): -41.7522 -41.7522 -41.7484 -41.7484 -19.4468 -19.4468 -19.4172 -19.4172 -17.4328 -17.4328 -17.3764 -17.3764 -17.3345 -17.3345 -17.3128 -17.3128 -0.0155 -0.0155 1.2631 1.2631 2.9961 2.9961 5.3761 5.3761 7.3720 7.3720 9.0377 9.0377 9.0754 9.0754 9.7529 9.7529 10.7844 10.7844 10.9973 10.9973 11.0231 11.0231 11.8487 11.8487 12.1132 12.1132 13.0520 13.0520 13.1848 13.1848 13.7502 13.7502 14.8243 14.8243 14.9022 14.9022 k = 0.0000 0.2333 0.2234 ( 3812 PWs) bands (ev): -41.7518 -41.7518 -41.7479 -41.7479 -19.4477 -19.4477 -19.4189 -19.4189 -17.4340 -17.4340 -17.3799 -17.3799 -17.3354 -17.3354 -17.3138 -17.3138 0.0437 0.0437 1.3073 1.3073 2.9984 2.9984 5.2411 5.2411 7.4131 7.4131 9.0040 9.0040 9.0835 9.0835 9.7551 9.7551 10.7823 10.7823 10.9794 10.9794 10.9970 10.9970 11.7981 11.7981 12.1418 12.1418 13.0103 13.0103 13.1574 13.1574 13.7365 13.7365 14.8467 14.8467 14.8581 14.8581 k = 0.0000 0.2444 0.2234 ( 3814 PWs) bands (ev): -41.7514 -41.7514 -41.7477 -41.7477 -19.4486 -19.4486 -19.4207 -19.4207 -17.4354 -17.4354 -17.3835 -17.3835 -17.3362 -17.3362 -17.3146 -17.3146 0.1054 0.1054 1.3530 1.3530 3.0000 3.0000 5.1058 5.1058 7.4551 7.4551 8.9375 8.9375 9.1233 9.1233 9.7437 9.7437 10.7799 10.7799 10.9417 10.9417 11.0092 11.0092 11.7508 11.7508 12.1666 12.1666 12.9754 12.9754 13.1295 13.1295 13.7201 13.7201 14.8050 14.8050 14.8760 14.8760 k = 0.0000 0.2556 0.2234 ( 3818 PWs) bands (ev): -41.7510 -41.7510 -41.7475 -41.7475 -19.4494 -19.4494 -19.4224 -19.4224 -17.4368 -17.4368 -17.3872 -17.3872 -17.3368 -17.3368 -17.3154 -17.3154 0.1696 0.1696 1.4001 1.4001 3.0008 3.0008 4.9704 4.9704 7.4975 7.4975 8.8686 8.8686 9.1649 9.1649 9.7205 9.7205 10.7756 10.7756 10.9041 10.9041 11.0391 11.0391 11.7070 11.7070 12.1860 12.1860 12.9486 12.9486 13.1003 13.1003 13.7016 13.7016 14.7600 14.7600 14.8972 14.8972 k = 0.0000 0.2667 0.2234 ( 3822 PWs) bands (ev): -41.7506 -41.7506 -41.7472 -41.7472 -19.4503 -19.4503 -19.4242 -19.4242 -17.4383 -17.4383 -17.3911 -17.3911 -17.3373 -17.3373 -17.3161 -17.3161 0.2364 0.2364 1.4485 1.4485 3.0006 3.0006 4.8352 4.8352 7.5400 7.5400 8.7986 8.7986 9.2075 9.2075 9.6884 9.6884 10.7664 10.7664 10.8700 10.8700 11.0829 11.0829 11.6669 11.6669 12.1990 12.1990 12.9311 12.9311 13.0695 13.0695 13.6815 13.6815 14.7190 14.7190 14.9159 14.9159 k = 0.0000 0.2778 0.2234 ( 3824 PWs) bands (ev): -41.7502 -41.7502 -41.7470 -41.7470 -19.4512 -19.4512 -19.4260 -19.4260 -17.4399 -17.4399 -17.3949 -17.3949 -17.3377 -17.3377 -17.3167 -17.3167 0.3056 0.3056 1.4981 1.4981 2.9993 2.9993 4.7002 4.7002 7.5821 7.5821 8.7283 8.7283 9.2509 9.2509 9.6504 9.6504 10.7492 10.7492 10.8424 10.8424 11.1374 11.1374 11.6307 11.6307 12.2046 12.2046 12.9234 12.9234 13.0370 13.0370 13.6606 13.6606 14.6832 14.6832 14.9327 14.9327 k = 0.0000 0.2889 0.2234 ( 3818 PWs) bands (ev): -41.7497 -41.7497 -41.7467 -41.7467 -19.4520 -19.4520 -19.4279 -19.4279 -17.4415 -17.4415 -17.3989 -17.3989 -17.3379 -17.3379 -17.3173 -17.3173 0.3772 0.3772 1.5487 1.5487 2.9968 2.9968 4.5656 4.5656 7.6235 7.6235 8.6583 8.6583 9.2947 9.2947 9.6095 9.6095 10.7222 10.7222 10.8221 10.8221 11.1999 11.1999 11.5988 11.5988 12.2025 12.2025 12.9244 12.9244 13.0038 13.0038 13.6394 13.6394 14.6537 14.6537 14.9485 14.9485 k = 0.0000 0.3000 0.2234 ( 3818 PWs) bands (ev): -41.7493 -41.7493 -41.7464 -41.7464 -19.4528 -19.4528 -19.4297 -19.4297 -17.4431 -17.4431 -17.4028 -17.4028 -17.3380 -17.3380 -17.3178 -17.3178 0.4513 0.4513 1.6003 1.6003 2.9930 2.9930 4.4315 4.4315 7.6636 7.6636 8.5892 8.5892 9.3389 9.3389 9.5682 9.5682 10.6882 10.6882 10.8060 10.8060 11.2675 11.2675 11.5714 11.5714 12.1934 12.1934 12.9258 12.9258 12.9775 12.9775 13.6187 13.6187 14.6309 14.6309 14.9639 14.9639 k = 0.0000 0.3111 0.2234 ( 3802 PWs) bands (ev): -41.7488 -41.7488 -41.7460 -41.7460 -19.4535 -19.4535 -19.4315 -19.4315 -17.4447 -17.4447 -17.4067 -17.4067 -17.3379 -17.3379 -17.3183 -17.3183 0.5276 0.5276 1.6526 1.6526 2.9877 2.9877 4.2981 4.2981 7.7019 7.7019 8.5215 8.5215 9.3828 9.3828 9.5290 9.5290 10.6506 10.6506 10.7901 10.7901 11.3376 11.3376 11.5494 11.5494 12.1785 12.1785 12.9029 12.9029 12.9813 12.9813 13.5992 13.5992 14.6153 14.6153 14.9794 14.9794 k = 0.0000 0.3222 0.2234 ( 3800 PWs) bands (ev): -41.7484 -41.7484 -41.7458 -41.7458 -19.4542 -19.4542 -19.4333 -19.4333 -17.4463 -17.4463 -17.4106 -17.4106 -17.3377 -17.3377 -17.3188 -17.3188 0.6063 0.6063 1.7056 1.7056 2.9808 2.9808 4.1655 4.1655 7.7377 7.7377 8.4557 8.4557 9.4247 9.4247 9.4954 9.4954 10.6114 10.6114 10.7718 10.7718 11.4063 11.4063 11.5348 11.5348 12.1594 12.1594 12.8620 12.8620 13.0074 13.0074 13.5817 13.5817 14.6072 14.6072 14.9951 14.9951 k = 0.0000 0.3333 0.2234 ( 3798 PWs) bands (ev): -41.7480 -41.7480 -41.7455 -41.7455 -19.4548 -19.4548 -19.4351 -19.4351 -17.4479 -17.4479 -17.4145 -17.4145 -17.3375 -17.3375 -17.3193 -17.3193 0.6872 0.6872 1.7591 1.7591 2.9721 2.9721 4.0338 4.0338 7.7705 7.7705 8.3923 8.3923 9.4467 9.4467 9.4868 9.4868 10.5717 10.5717 10.7497 10.7497 11.4620 11.4620 11.5379 11.5379 12.1379 12.1379 12.8147 12.8147 13.0427 13.0427 13.5668 13.5668 14.6066 14.6066 15.0102 15.0102 k = 0.0000 0.3444 0.2234 ( 3794 PWs) bands (ev): -41.7476 -41.7476 -41.7453 -41.7453 -19.4554 -19.4554 -19.4368 -19.4368 -17.4494 -17.4494 -17.4182 -17.4182 -17.3371 -17.3371 -17.3197 -17.3197 0.7704 0.7704 1.8129 1.8129 2.9617 2.9617 3.9030 3.9030 7.7997 7.7997 8.3315 8.3315 9.4302 9.4302 9.5227 9.5227 10.5320 10.5320 10.7229 10.7229 11.4812 11.4812 11.5805 11.5805 12.1154 12.1154 12.7634 12.7634 13.0834 13.0834 13.5555 13.5555 14.6132 14.6132 15.0237 15.0237 k = 0.0000 0.3556 0.2234 ( 3792 PWs) bands (ev): -41.7473 -41.7473 -41.7451 -41.7451 -19.4560 -19.4560 -19.4385 -19.4385 -17.4508 -17.4508 -17.4219 -17.4219 -17.3367 -17.3367 -17.3202 -17.3202 0.8557 0.8557 1.8669 1.8669 2.9492 2.9492 3.7735 3.7735 7.8248 7.8248 8.2738 8.2738 9.4144 9.4144 9.5649 9.5649 10.4927 10.4927 10.6909 10.6909 11.4834 11.4834 11.6421 11.6421 12.0933 12.0933 12.7089 12.7089 13.1278 13.1278 13.5483 13.5483 14.6267 14.6267 15.0338 15.0338 k = 0.0000 0.3667 0.2234 ( 3794 PWs) bands (ev): -41.7470 -41.7470 -41.7449 -41.7449 -19.4564 -19.4564 -19.4402 -19.4402 -17.4521 -17.4521 -17.4255 -17.4255 -17.3361 -17.3361 -17.3206 -17.3206 0.9430 0.9430 1.9208 1.9208 2.9348 2.9348 3.6452 3.6452 7.8455 7.8455 8.2196 8.2196 9.4060 9.4060 9.6073 9.6073 10.4540 10.4540 10.6535 10.6535 11.4859 11.4859 11.7040 11.7040 12.0726 12.0726 12.6517 12.6517 13.1745 13.1745 13.5458 13.5458 14.6463 14.6463 15.0391 15.0391 k = 0.0000 0.3778 0.2234 ( 3792 PWs) bands (ev): -41.7466 -41.7466 -41.7447 -41.7447 -19.4568 -19.4568 -19.4419 -19.4419 -17.4533 -17.4533 -17.4289 -17.4289 -17.3356 -17.3356 -17.3211 -17.3211 1.0325 1.0325 1.9743 1.9743 2.9182 2.9182 3.5184 3.5184 7.8617 7.8617 8.1689 8.1689 9.4061 9.4061 9.6492 9.6492 10.4158 10.4158 10.6107 10.6107 11.4922 11.4922 11.7617 11.7617 12.0541 12.0541 12.5921 12.5921 13.2228 13.2228 13.5483 13.5483 14.6714 14.6714 15.0392 15.0392 k = 0.0000 0.3889 0.2234 ( 3796 PWs) bands (ev): -41.7463 -41.7463 -41.7446 -41.7446 -19.4571 -19.4571 -19.4434 -19.4434 -17.4543 -17.4543 -17.4322 -17.4322 -17.3349 -17.3349 -17.3216 -17.3216 1.1239 1.1239 2.0273 2.0273 2.8994 2.8994 3.3932 3.3932 7.8735 7.8735 8.1222 8.1222 9.4151 9.4151 9.6901 9.6901 10.3784 10.3784 10.5628 10.5628 11.5031 11.5031 11.8135 11.8135 12.0382 12.0382 12.5307 12.5307 13.2717 13.2717 13.5557 13.5557 14.7008 14.7008 15.0345 15.0345 k = 0.0000 0.4000 0.2234 ( 3792 PWs) bands (ev): -41.7460 -41.7460 -41.7444 -41.7444 -19.4573 -19.4573 -19.4450 -19.4450 -17.4552 -17.4552 -17.4353 -17.4353 -17.3343 -17.3343 -17.3221 -17.3221 1.2172 1.2172 2.0792 2.0792 2.8784 2.8784 3.2700 3.2700 7.8811 7.8811 8.0795 8.0795 9.4330 9.4330 9.7300 9.7300 10.3416 10.3416 10.5101 10.5101 11.5189 11.5189 11.8584 11.8584 12.0252 12.0252 12.4678 12.4678 13.3207 13.3207 13.5678 13.5678 14.7335 14.7335 15.0263 15.0263 k = 0.0000 0.4111 0.2234 ( 3790 PWs) bands (ev): -41.7457 -41.7457 -41.7443 -41.7443 -19.4574 -19.4574 -19.4464 -19.4464 -17.4559 -17.4559 -17.4382 -17.4382 -17.3336 -17.3336 -17.3226 -17.3226 1.3124 1.3124 2.1296 2.1296 2.8552 2.8552 3.1492 3.1492 7.8851 7.8851 8.0410 8.0410 9.4594 9.4594 9.7686 9.7686 10.3053 10.3053 10.4533 10.4533 11.5397 11.5397 11.8958 11.8958 12.0153 12.0153 12.4040 12.4040 13.3691 13.3691 13.5835 13.5835 14.7681 14.7681 15.0159 15.0159 k = 0.0000 0.4222 0.2234 ( 3790 PWs) bands (ev): -41.7455 -41.7455 -41.7442 -41.7442 -19.4575 -19.4575 -19.4478 -19.4478 -17.4564 -17.4564 -17.4409 -17.4409 -17.3328 -17.3328 -17.3231 -17.3231 1.4093 1.4093 2.1778 2.1778 2.8296 2.8296 3.0315 3.0315 7.8862 7.8862 8.0068 8.0068 9.4937 9.4937 9.8061 9.8061 10.2694 10.2694 10.3933 10.3933 11.5655 11.5655 11.9254 11.9254 12.0084 12.0084 12.3400 12.3400 13.4163 13.4163 13.6016 13.6016 14.8031 14.8031 15.0048 15.0048 k = 0.0000 0.4333 0.2234 ( 3788 PWs) bands (ev): -41.7452 -41.7452 -41.7442 -41.7442 -19.4574 -19.4574 -19.4491 -19.4491 -17.4568 -17.4568 -17.4435 -17.4435 -17.3321 -17.3321 -17.3237 -17.3237 1.5078 1.5078 2.2224 2.2224 2.8016 2.8016 2.9183 2.9183 7.8853 7.8853 7.9769 7.9769 9.5351 9.5351 9.8422 9.8422 10.2333 10.2333 10.3312 10.3312 11.5960 11.5960 11.9470 11.9470 12.0046 12.0046 12.2766 12.2766 13.4618 13.4618 13.6205 13.6205 14.8371 14.8371 14.9941 14.9941 k = 0.0000 0.4444 0.2234 ( 3788 PWs) bands (ev): -41.7449 -41.7449 -41.7442 -41.7442 -19.4573 -19.4573 -19.4503 -19.4503 -17.4569 -17.4569 -17.4458 -17.4458 -17.3313 -17.3313 -17.3243 -17.3243 1.6076 1.6076 2.2610 2.2610 2.7696 2.7696 2.8139 2.8139 7.8832 7.8832 7.9513 7.9513 9.5829 9.5829 9.8768 9.8768 10.1956 10.1956 10.2693 10.2693 11.6311 11.6311 11.9600 11.9600 12.0041 12.0041 12.2147 12.2147 13.5047 13.5047 13.6382 13.6382 14.8685 14.8685 14.9847 14.9847 k = 0.0000 0.4556 0.2234 ( 3784 PWs) bands (ev): -41.7447 -41.7447 -41.7441 -41.7441 -19.4570 -19.4570 -19.4514 -19.4514 -17.4568 -17.4568 -17.4479 -17.4479 -17.3306 -17.3306 -17.3249 -17.3249 1.7087 1.7087 2.2883 2.2883 2.7089 2.7089 2.7479 2.7479 7.8808 7.8808 7.9299 7.9299 9.6361 9.6361 9.9097 9.9097 10.1534 10.1534 10.2118 10.2118 11.6704 11.6704 11.9637 11.9637 12.0068 12.0068 12.1563 12.1563 13.5442 13.5442 13.6528 13.6528 14.8962 14.8962 14.9772 14.9772 k = 0.0000 0.4667 0.2234 ( 3784 PWs) bands (ev): -41.7445 -41.7445 -41.7441 -41.7441 -19.4567 -19.4567 -19.4525 -19.4525 -17.4565 -17.4565 -17.4499 -17.4499 -17.3298 -17.3298 -17.3255 -17.3255 1.8105 1.8105 2.2938 2.2938 2.6381 2.6381 2.7129 2.7129 7.8788 7.8788 7.9126 7.9126 9.6937 9.6937 9.9392 9.9392 10.1031 10.1031 10.1642 10.1642 11.7135 11.7135 11.9573 11.9573 12.0111 12.0111 12.1047 12.1047 13.5797 13.5797 13.6627 13.6627 14.9190 14.9190 14.9716 14.9716 k = 0.0000 0.4778 0.2234 ( 3788 PWs) bands (ev): -41.7445 -41.7445 -41.7441 -41.7441 -19.4562 -19.4562 -19.4534 -19.4534 -17.4560 -17.4560 -17.4515 -17.4515 -17.3291 -17.3291 -17.3262 -17.3262 1.9123 1.9123 2.2634 2.2634 2.6011 2.6011 2.6795 2.6795 7.8781 7.8781 7.8992 7.8992 9.7548 9.7548 9.9580 9.9580 10.0542 10.0542 10.1258 10.1258 11.7597 11.7597 11.9372 11.9372 12.0160 12.0160 12.0656 12.0656 13.6101 13.6101 13.6663 13.6663 14.9366 14.9366 14.9672 14.9672 k = 0.0000 0.4889 0.2234 ( 3792 PWs) bands (ev): -41.7444 -41.7444 -41.7442 -41.7442 -19.4557 -19.4557 -19.4543 -19.4543 -17.4552 -17.4552 -17.4530 -17.4530 -17.3283 -17.3283 -17.3269 -17.3269 2.0129 2.0129 2.1971 2.1971 2.5995 2.5995 2.6474 2.6474 7.8793 7.8793 7.8894 7.8894 9.8179 9.8179 9.9369 9.9369 10.0412 10.0412 10.0922 10.0922 11.8080 11.8080 11.9018 11.9018 12.0217 12.0217 12.0421 12.0421 13.6345 13.6345 13.6630 13.6630 14.9492 14.9492 14.9630 14.9630 k = 0.0000 0.5000 0.2234 ( 3800 PWs) bands (ev): -41.7444 -41.7444 -41.7444 -41.7444 -19.4550 -19.4550 -19.4550 -19.4550 -17.4542 -17.4542 -17.4542 -17.4542 -17.3276 -17.3276 -17.3276 -17.3276 2.1097 2.1097 2.1097 2.1097 2.6189 2.6189 2.6189 2.6189 7.8829 7.8829 7.8829 7.8829 9.8810 9.8810 9.8810 9.8810 10.0624 10.0624 10.0624 10.0624 11.8565 11.8565 11.8565 11.8565 12.0294 12.0294 12.0294 12.0294 13.6523 13.6523 13.6523 13.6523 14.9575 14.9575 14.9575 14.9575 k = 0.0000 0.5000 0.2234 ( 3800 PWs) bands (ev): -41.7444 -41.7444 -41.7444 -41.7444 -19.4550 -19.4550 -19.4550 -19.4550 -17.4542 -17.4542 -17.4542 -17.4542 -17.3276 -17.3276 -17.3276 -17.3276 2.1097 2.1097 2.1097 2.1097 2.6189 2.6189 2.6189 2.6189 7.8829 7.8829 7.8829 7.8829 9.8810 9.8810 9.8810 9.8810 10.0624 10.0624 10.0624 10.0624 11.8565 11.8565 11.8565 11.8565 12.0294 12.0294 12.0294 12.0294 13.6523 13.6523 13.6523 13.6523 14.9575 14.9575 14.9575 14.9575 k = 0.0111 0.5000 0.2234 ( 3800 PWs) bands (ev): -41.7444 -41.7444 -41.7443 -41.7443 -19.4554 -19.4554 -19.4548 -19.4548 -17.4542 -17.4542 -17.4542 -17.4542 -17.3282 -17.3282 -17.3273 -17.3273 2.1099 2.1099 2.1113 2.1113 2.6194 2.6194 2.6200 2.6200 7.8841 7.8841 7.8854 7.8854 9.8188 9.8188 9.8800 9.8800 10.0573 10.0573 10.1252 10.1252 11.8306 11.8306 11.8653 11.8653 12.0103 12.0103 12.0566 12.0566 13.6424 13.6424 13.6573 13.6573 14.9544 14.9544 14.9579 14.9579 k = 0.0222 0.5000 0.2234 ( 3788 PWs) bands (ev): -41.7442 -41.7442 -41.7442 -41.7442 -19.4558 -19.4558 -19.4546 -19.4546 -17.4542 -17.4542 -17.4541 -17.4541 -17.3290 -17.3290 -17.3272 -17.3272 2.1118 2.1118 2.1146 2.1146 2.6216 2.6216 2.6227 2.6227 7.8891 7.8891 7.8916 7.8916 9.7384 9.7384 9.8135 9.8135 10.1123 10.1123 10.2008 10.2008 11.7944 11.7944 11.8497 11.8497 12.0065 12.0065 12.0848 12.0848 13.6279 13.6279 13.6571 13.6571 14.9488 14.9488 14.9553 14.9553 k = 0.0333 0.5000 0.2234 ( 3784 PWs) bands (ev): -41.7441 -41.7441 -41.7441 -41.7441 -19.4562 -19.4562 -19.4544 -19.4544 -17.4541 -17.4541 -17.4539 -17.4539 -17.3301 -17.3301 -17.3274 -17.3274 2.1154 2.1154 2.1195 2.1195 2.6254 2.6254 2.6271 2.6271 7.8978 7.8978 7.9015 7.9015 9.6514 9.6514 9.7277 9.7277 10.1811 10.1811 10.2774 10.2774 11.7513 11.7513 11.8136 11.8136 12.0144 12.0144 12.1103 12.1103 13.6095 13.6095 13.6517 13.6517 14.9414 14.9414 14.9502 14.9502 k = 0.0444 0.5000 0.2234 ( 3788 PWs) bands (ev): -41.7441 -41.7441 -41.7441 -41.7441 -19.4568 -19.4568 -19.4544 -19.4544 -17.4539 -17.4539 -17.4538 -17.4538 -17.3315 -17.3315 -17.3279 -17.3279 2.1207 2.1207 2.1261 2.1261 2.6309 2.6309 2.6332 2.6332 7.9102 7.9102 7.9152 7.9152 9.5609 9.5609 9.6355 9.6355 10.2509 10.2509 10.3520 10.3520 11.7028 11.7028 11.7654 11.7654 12.0257 12.0257 12.1316 12.1316 13.5877 13.5877 13.6413 13.6413 14.9327 14.9327 14.9428 14.9428 k = 0.0556 0.5000 0.2234 ( 3796 PWs) bands (ev): -41.7441 -41.7441 -41.7440 -41.7440 -19.4574 -19.4574 -19.4544 -19.4544 -17.4537 -17.4537 -17.4535 -17.4535 -17.3331 -17.3331 -17.3287 -17.3287 2.1276 2.1276 2.1343 2.1343 2.6380 2.6380 2.6409 2.6409 7.9263 7.9263 7.9325 7.9325 9.4679 9.4679 9.5399 9.5399 10.3188 10.3188 10.4236 10.4236 11.6497 11.6497 11.7099 11.7099 12.0357 12.0357 12.1477 12.1477 13.5635 13.5635 13.6262 13.6262 14.9235 14.9235 14.9340 14.9340 k = 0.0667 0.5000 0.2234 ( 3796 PWs) bands (ev): -41.7439 -41.7439 -41.7439 -41.7439 -19.4580 -19.4580 -19.4545 -19.4545 -17.4535 -17.4535 -17.4533 -17.4533 -17.3349 -17.3349 -17.3297 -17.3297 2.1362 2.1362 2.1441 2.1441 2.6468 2.6468 2.6504 2.6504 7.9459 7.9459 7.9534 7.9534 9.3728 9.3728 9.4420 9.4420 10.3835 10.3835 10.4914 10.4914 11.5925 11.5925 11.6492 11.6492 12.0424 12.0424 12.1579 12.1579 13.5379 13.5379 13.6073 13.6073 14.9143 14.9143 14.9245 14.9245 k = 0.0778 0.5000 0.2234 ( 3792 PWs) bands (ev): -41.7438 -41.7438 -41.7437 -41.7437 -19.4587 -19.4587 -19.4546 -19.4546 -17.4532 -17.4532 -17.4530 -17.4530 -17.3370 -17.3370 -17.3309 -17.3309 2.1463 2.1463 2.1553 2.1553 2.6572 2.6572 2.6616 2.6616 7.9691 7.9691 7.9778 7.9778 9.2763 9.2763 9.3423 9.3423 10.4446 10.4446 10.5552 10.5552 11.5315 11.5315 11.5844 11.5844 12.0451 12.0451 12.1619 12.1619 13.5121 13.5121 13.5853 13.5853 14.9056 14.9056 14.9151 14.9151 k = 0.0889 0.5000 0.2234 ( 3796 PWs) bands (ev): -41.7436 -41.7436 -41.7436 -41.7436 -19.4595 -19.4595 -19.4548 -19.4548 -17.4530 -17.4530 -17.4526 -17.4526 -17.3392 -17.3392 -17.3324 -17.3324 2.1579 2.1579 2.1679 2.1679 2.6695 2.6695 2.6746 2.6746 7.9956 7.9956 8.0057 8.0057 9.1784 9.1784 9.2414 9.2414 10.5016 10.5016 10.6143 10.6143 11.4670 11.4670 11.5160 11.5160 12.0432 12.0432 12.1595 12.1595 13.4873 13.4873 13.5615 13.5615 14.8978 14.8978 14.9062 14.9062 k = 0.1000 0.5000 0.2234 ( 3800 PWs) bands (ev): -41.7435 -41.7435 -41.7435 -41.7435 -19.4603 -19.4603 -19.4551 -19.4551 -17.4526 -17.4526 -17.4523 -17.4523 -17.3417 -17.3417 -17.3341 -17.3341 2.1709 2.1709 2.1818 2.1818 2.6834 2.6834 2.6895 2.6895 8.0255 8.0255 8.0368 8.0368 9.0797 9.0797 9.1396 9.1396 10.5543 10.5543 10.6686 10.6686 11.3991 11.3991 11.4444 11.4444 12.0368 12.0368 12.1506 12.1506 13.4645 13.4645 13.5369 13.5369 14.8912 14.8912 14.8983 14.8983 k = 0.1111 0.5000 0.2234 ( 3784 PWs) bands (ev): -41.7431 -41.7431 -41.7431 -41.7431 -19.4611 -19.4611 -19.4555 -19.4555 -17.4523 -17.4523 -17.4519 -17.4519 -17.3443 -17.3443 -17.3360 -17.3360 2.1852 2.1852 2.1969 2.1969 2.6992 2.6992 2.7062 2.7062 8.0585 8.0585 8.0711 8.0711 8.9803 8.9803 9.0371 9.0371 10.6022 10.6022 10.7175 10.7175 11.3281 11.3281 11.3700 11.3700 12.0261 12.0261 12.1353 12.1353 13.4449 13.4449 13.5129 13.5129 14.8858 14.8858 14.8917 14.8917 k = 0.1222 0.5000 0.2234 ( 3784 PWs) bands (ev): -41.7429 -41.7429 -41.7429 -41.7429 -19.4620 -19.4620 -19.4559 -19.4559 -17.4519 -17.4519 -17.4515 -17.4515 -17.3471 -17.3471 -17.3381 -17.3381 2.2007 2.2007 2.2130 2.2130 2.7168 2.7168 2.7248 2.7248 8.0943 8.0943 8.1084 8.1084 8.8806 8.8806 8.9344 8.9344 10.6452 10.6452 10.7608 10.7608 11.2541 11.2541 11.2930 11.2930 12.0111 12.0111 12.1142 12.1142 13.4293 13.4293 13.4906 13.4906 14.8817 14.8817 14.8864 14.8864 k = 0.1333 0.5000 0.2234 ( 3796 PWs) bands (ev): -41.7428 -41.7428 -41.7428 -41.7428 -19.4630 -19.4630 -19.4564 -19.4564 -17.4515 -17.4515 -17.4511 -17.4511 -17.3500 -17.3500 -17.3404 -17.3404 2.2173 2.2173 2.2302 2.2302 2.7362 2.7362 2.7454 2.7454 8.1327 8.1327 8.1482 8.1482 8.7811 8.7811 8.8319 8.8319 10.6831 10.6831 10.7980 10.7980 11.1774 11.1774 11.2135 11.2135 11.9925 11.9925 12.0878 12.0878 13.4183 13.4183 13.4713 13.4713 14.8787 14.8787 14.8824 14.8824 k = 0.1444 0.5000 0.2234 ( 3788 PWs) bands (ev): -41.7425 -41.7425 -41.7424 -41.7424 -19.4639 -19.4639 -19.4570 -19.4570 -17.4511 -17.4511 -17.4506 -17.4506 -17.3531 -17.3531 -17.3429 -17.3429 2.2349 2.2349 2.2482 2.2482 2.7575 2.7575 2.7679 2.7679 8.1729 8.1729 8.1899 8.1899 8.6824 8.6824 8.7302 8.7302 10.7156 10.7156 10.8287 10.8287 11.0982 11.0982 11.1320 11.1320 11.9708 11.9708 12.0570 12.0570 13.4125 13.4125 13.4559 13.4559 14.8768 14.8768 14.8796 14.8796 k = 0.1556 0.5000 0.2234 ( 3788 PWs) bands (ev): -41.7422 -41.7422 -41.7422 -41.7422 -19.4649 -19.4649 -19.4576 -19.4576 -17.4506 -17.4506 -17.4502 -17.4502 -17.3562 -17.3562 -17.3455 -17.3455 2.2534 2.2534 2.2669 2.2669 2.7808 2.7808 2.7924 2.7924 8.2138 8.2138 8.2321 8.2321 8.5860 8.5860 8.6308 8.6308 10.7425 10.7425 10.8523 10.8523 11.0168 11.0168 11.0492 11.0492 11.9468 11.9468 12.0229 12.0229 13.4120 13.4120 13.4451 13.4451 14.8758 14.8758 14.8777 14.8777 k = 0.1667 0.5000 0.2234 ( 3792 PWs) bands (ev): -41.7419 -41.7419 -41.7419 -41.7419 -19.4659 -19.4659 -19.4583 -19.4583 -17.4502 -17.4502 -17.4498 -17.4498 -17.3594 -17.3594 -17.3483 -17.3483 2.2726 2.2726 2.2863 2.2863 2.8060 2.8060 2.8190 2.8190 8.2515 8.2515 8.2701 8.2701 8.4965 8.4965 8.5371 8.5371 10.7632 10.7632 10.8663 10.8663 10.9339 10.9339 10.9675 10.9675 11.9213 11.9213 11.9865 11.9865 13.4168 13.4168 13.4393 13.4393 14.8756 14.8756 14.8767 14.8767 k = 0.1778 0.5000 0.2234 ( 3800 PWs) bands (ev): -41.7417 -41.7417 -41.7417 -41.7417 -19.4670 -19.4670 -19.4591 -19.4591 -17.4498 -17.4498 -17.4494 -17.4494 -17.3627 -17.3627 -17.3512 -17.3512 2.2924 2.2924 2.3061 2.3061 2.8332 2.8332 2.8476 2.8476 8.2731 8.2731 8.2833 8.2833 8.4345 8.4345 8.4624 8.4624 10.7754 10.7754 10.8491 10.8491 10.8522 10.8522 10.9087 10.9087 11.8949 11.8949 11.9488 11.9488 13.4267 13.4267 13.4390 13.4390 14.8760 14.8760 14.8763 14.8763 k = 0.1889 0.5000 0.2234 ( 3800 PWs) bands (ev): -41.7414 -41.7414 -41.7414 -41.7414 -19.4681 -19.4681 -19.4599 -19.4599 -17.4494 -17.4494 -17.4491 -17.4491 -17.3660 -17.3660 -17.3542 -17.3542 2.3127 2.3127 2.3263 2.3263 2.8623 2.8623 2.8783 2.8783 8.2335 8.2335 8.2443 8.2443 8.4381 8.4381 8.4406 8.4406 10.7469 10.7469 10.7744 10.7744 10.8044 10.8044 10.8998 10.8998 11.8684 11.8684 11.9108 11.9108 13.4418 13.4418 13.4442 13.4442 14.8763 14.8763 14.8767 14.8767 k = 0.2000 0.5000 0.2234 ( 3800 PWs) bands (ev): -41.7411 -41.7411 -41.7411 -41.7411 -19.4691 -19.4691 -19.4607 -19.4607 -17.4491 -17.4491 -17.4487 -17.4487 -17.3693 -17.3693 -17.3572 -17.3572 2.3334 2.3334 2.3467 2.3467 2.8935 2.8935 2.9110 2.9110 8.1485 8.1485 8.1676 8.1676 8.4691 8.4691 8.4794 8.4794 10.6655 10.6655 10.6871 10.6871 10.8032 10.8032 10.8965 10.8965 11.8424 11.8424 11.8733 11.8733 13.4549 13.4549 13.4616 13.4616 14.8767 14.8767 14.8778 14.8778 k = 0.2111 0.5000 0.2234 ( 3800 PWs) bands (ev): -41.7408 -41.7408 -41.7408 -41.7408 -19.4702 -19.4702 -19.4616 -19.4616 -17.4487 -17.4487 -17.4485 -17.4485 -17.3725 -17.3725 -17.3603 -17.3603 2.3544 2.3544 2.3673 2.3673 2.9266 2.9266 2.9456 2.9456 8.0553 8.0553 8.0754 8.0754 8.5154 8.5154 8.5310 8.5310 10.5782 10.5782 10.5976 10.5976 10.8025 10.8025 10.8894 10.8894 11.8171 11.8171 11.8370 11.8370 13.4711 13.4711 13.4859 13.4859 14.8771 14.8771 14.8789 14.8789 k = 0.2222 0.5000 0.2234 ( 3796 PWs) bands (ev): -41.7404 -41.7404 -41.7404 -41.7404 -19.4713 -19.4713 -19.4626 -19.4626 -17.4485 -17.4485 -17.4483 -17.4483 -17.3757 -17.3757 -17.3633 -17.3633 2.3755 2.3755 2.3879 2.3879 2.9616 2.9616 2.9822 2.9822 7.9602 7.9602 7.9790 7.9790 8.5677 8.5677 8.5864 8.5864 10.4901 10.4901 10.5076 10.5076 10.7981 10.7981 10.8778 10.8778 11.7929 11.7929 11.8022 11.8022 13.4925 13.4925 13.5145 13.5145 14.8775 14.8775 14.8800 14.8800 k = 0.2333 0.5000 0.2234 ( 3800 PWs) bands (ev): -41.7401 -41.7401 -41.7401 -41.7401 -19.4724 -19.4724 -19.4636 -19.4636 -17.4483 -17.4483 -17.4482 -17.4482 -17.3788 -17.3788 -17.3664 -17.3664 2.3966 2.3966 2.4085 2.4085 2.9985 2.9985 3.0207 3.0207 7.8649 7.8649 7.8817 7.8817 8.6225 8.6225 8.6435 8.6435 10.4025 10.4025 10.4182 10.4182 10.7899 10.7899 10.8622 10.8622 11.7694 11.7694 11.7697 11.7697 13.5188 13.5188 13.5470 13.5470 14.8777 14.8777 14.8809 14.8809 k = 0.2444 0.5000 0.2234 ( 3796 PWs) bands (ev): -41.7398 -41.7398 -41.7398 -41.7398 -19.4735 -19.4735 -19.4646 -19.4646 -17.4482 -17.4482 -17.4481 -17.4481 -17.3818 -17.3818 -17.3695 -17.3695 2.4177 2.4177 2.4290 2.4290 3.0373 3.0373 3.0609 3.0609 7.7702 7.7702 7.7847 7.7847 8.6780 8.6780 8.7009 8.7009 10.3164 10.3164 10.3302 10.3302 10.7784 10.7784 10.8433 10.8433 11.7385 11.7385 11.7476 11.7476 13.5497 13.5497 13.5832 13.5832 14.8776 14.8776 14.8815 14.8815 k = 0.2556 0.5000 0.2234 ( 3792 PWs) bands (ev): -41.7394 -41.7394 -41.7394 -41.7394 -19.4745 -19.4745 -19.4656 -19.4656 -17.4483 -17.4483 -17.4480 -17.4480 -17.3846 -17.3846 -17.3725 -17.3725 2.4386 2.4386 2.4493 2.4493 3.0777 3.0777 3.1028 3.1028 7.6765 7.6765 7.6885 7.6885 8.7330 8.7330 8.7577 8.7577 10.2328 10.2328 10.2447 10.2447 10.7641 10.7641 10.8219 10.8219 11.7096 11.7096 11.7263 11.7263 13.5849 13.5849 13.6228 13.6228 14.8771 14.8771 14.8817 14.8817 k = 0.2667 0.5000 0.2234 ( 3796 PWs) bands (ev): -41.7391 -41.7391 -41.7391 -41.7391 -19.4756 -19.4756 -19.4667 -19.4667 -17.4485 -17.4485 -17.4481 -17.4481 -17.3873 -17.3873 -17.3754 -17.3754 2.4593 2.4593 2.4693 2.4693 3.1197 3.1197 3.1462 3.1462 7.5840 7.5840 7.5934 7.5934 8.7863 8.7863 8.8127 8.8127 10.1528 10.1528 10.1626 10.1626 10.7477 10.7477 10.7987 10.7987 11.6826 11.6826 11.7059 11.7059 13.6240 13.6240 13.6653 13.6653 14.8760 14.8760 14.8813 14.8813 k = 0.2778 0.5000 0.2234 ( 3796 PWs) bands (ev): -41.7388 -41.7388 -41.7388 -41.7388 -19.4766 -19.4766 -19.4678 -19.4678 -17.4488 -17.4488 -17.4482 -17.4482 -17.3898 -17.3898 -17.3782 -17.3782 2.4796 2.4796 2.4889 2.4889 3.1633 3.1633 3.1910 3.1910 7.4930 7.4930 7.4998 7.4998 8.8365 8.8365 8.8644 8.8644 10.0778 10.0778 10.0855 10.0855 10.7299 10.7299 10.7746 10.7746 11.6574 11.6574 11.6860 11.6860 13.6666 13.6666 13.7107 13.7107 14.8742 14.8742 14.8803 14.8803 k = 0.2889 0.5000 0.2234 ( 3796 PWs) bands (ev): -41.7385 -41.7385 -41.7384 -41.7384 -19.4776 -19.4776 -19.4689 -19.4689 -17.4493 -17.4493 -17.4484 -17.4484 -17.3920 -17.3920 -17.3809 -17.3809 2.4996 2.4996 2.5082 2.5082 3.2081 3.2081 3.2369 3.2369 7.4036 7.4036 7.4079 7.4079 8.8820 8.8820 8.9114 8.9114 10.0093 10.0093 10.0149 10.0149 10.7114 10.7114 10.7504 10.7504 11.6338 11.6338 11.6666 11.6666 13.7122 13.7122 13.7584 13.7584 14.8717 14.8717 14.8785 14.8785 k = 0.3000 0.5000 0.2234 ( 3796 PWs) bands (ev): -41.7381 -41.7381 -41.7381 -41.7381 -19.4785 -19.4785 -19.4701 -19.4701 -17.4500 -17.4500 -17.4488 -17.4488 -17.3940 -17.3940 -17.3834 -17.3834 2.5191 2.5191 2.5270 2.5270 3.2540 3.2540 3.2839 3.2839 7.3160 7.3160 7.3178 7.3178 8.9209 8.9209 8.9515 8.9515 9.9492 9.9492 9.9527 9.9527 10.6928 10.6928 10.7266 10.7266 11.6117 11.6117 11.6477 11.6477 13.7606 13.7606 13.8082 13.8082 14.8684 14.8684 14.8759 14.8759 k = 0.3111 0.5000 0.2234 ( 3792 PWs) bands (ev): -41.7378 -41.7378 -41.7378 -41.7378 -19.4795 -19.4795 -19.4712 -19.4712 -17.4507 -17.4507 -17.4493 -17.4493 -17.3958 -17.3958 -17.3858 -17.3858 2.5380 2.5380 2.5453 2.5453 3.3009 3.3009 3.3315 3.3315 7.2299 7.2299 7.2304 7.2304 8.9511 8.9511 8.9825 8.9825 9.8994 9.8994 9.9011 9.9011 10.6748 10.6748 10.7041 10.7041 11.5908 11.5908 11.6291 11.6291 13.8111 13.8111 13.8597 13.8597 14.8642 14.8642 14.8723 14.8723 k = 0.3222 0.5000 0.2234 ( 3792 PWs) bands (ev): -41.7375 -41.7375 -41.7375 -41.7375 -19.4803 -19.4803 -19.4723 -19.4723 -17.4516 -17.4516 -17.4499 -17.4499 -17.3974 -17.3974 -17.3879 -17.3879 2.5564 2.5564 2.5630 2.5630 3.3485 3.3485 3.3797 3.3797 7.1442 7.1442 7.1470 7.1470 8.9708 8.9708 9.0023 9.0023 9.8616 9.8616 9.8620 9.8620 10.6581 10.6581 10.6832 10.6832 11.5712 11.5712 11.6108 11.6108 13.8634 13.8634 13.9124 13.9124 14.8590 14.8590 14.8679 14.8679 k = 0.3333 0.5000 0.2234 ( 3784 PWs) bands (ev): -41.7371 -41.7371 -41.7371 -41.7371 -19.4812 -19.4812 -19.4734 -19.4734 -17.4526 -17.4526 -17.4506 -17.4506 -17.3987 -17.3987 -17.3899 -17.3899 2.5740 2.5740 2.5800 2.5800 3.3965 3.3965 3.4281 3.4281 7.0611 7.0611 7.0659 7.0659 8.9785 8.9785 9.0095 9.0095 9.8366 9.8366 9.8369 9.8369 10.6432 10.6432 10.6646 10.6646 11.5528 11.5528 11.5930 11.5930 13.9169 13.9169 13.9658 13.9658 14.8530 14.8530 14.8624 14.8624 k = 0.3444 0.5000 0.2234 ( 3784 PWs) bands (ev): -41.7369 -41.7369 -41.7368 -41.7368 -19.4819 -19.4819 -19.4745 -19.4745 -17.4537 -17.4537 -17.4514 -17.4514 -17.3997 -17.3997 -17.3917 -17.3917 2.5910 2.5910 2.5964 2.5964 3.4446 3.4446 3.4765 3.4765 6.9807 6.9807 6.9874 6.9874 8.9741 8.9741 9.0037 9.0037 9.8250 9.8250 9.8252 9.8252 10.6305 10.6305 10.6488 10.6488 11.5354 11.5354 11.5755 11.5755 13.9711 13.9711 14.0196 14.0196 14.8461 14.8461 14.8561 14.8561 k = 0.3556 0.5000 0.2234 ( 3784 PWs) bands (ev): -41.7366 -41.7366 -41.7366 -41.7366 -19.4827 -19.4827 -19.4756 -19.4756 -17.4548 -17.4548 -17.4524 -17.4524 -17.4006 -17.4006 -17.3933 -17.3933 2.6071 2.6071 2.6120 2.6120 3.4927 3.4927 3.5244 3.5244 6.9033 6.9033 6.9117 6.9117 8.9588 8.9588 8.9863 8.9863 9.8249 9.8249 9.8254 9.8254 10.6207 10.6207 10.6363 10.6363 11.5191 11.5191 11.5586 11.5586 14.0254 14.0254 14.0730 14.0730 14.8384 14.8384 14.8489 14.8489 k = 0.3667 0.5000 0.2234 ( 3780 PWs) bands (ev): -41.7363 -41.7363 -41.7363 -41.7363 -19.4833 -19.4833 -19.4767 -19.4767 -17.4560 -17.4560 -17.4534 -17.4534 -17.4013 -17.4013 -17.3947 -17.3947 2.6224 2.6224 2.6267 2.6267 3.5402 3.5402 3.5715 3.5715 6.8293 6.8293 6.8390 6.8390 8.9348 8.9348 8.9598 8.9598 9.8336 9.8336 9.8349 9.8349 10.6142 10.6142 10.6273 10.6273 11.5039 11.5039 11.5422 11.5422 14.0793 14.0793 14.1255 14.1255 14.8302 14.8302 14.8410 14.8410 k = 0.3778 0.5000 0.2234 ( 3780 PWs) bands (ev): -41.7361 -41.7361 -41.7361 -41.7361 -19.4839 -19.4839 -19.4777 -19.4777 -17.4572 -17.4572 -17.4545 -17.4545 -17.4019 -17.4019 -17.3959 -17.3959 2.6368 2.6368 2.6406 2.6406 3.5868 3.5868 3.6174 3.6174 6.7589 6.7589 6.7697 6.7697 8.9048 8.9048 8.9271 8.9271 9.8483 9.8483 9.8504 9.8504 10.6111 10.6111 10.6222 10.6222 11.4898 11.4898 11.5264 11.5264 14.1319 14.1319 14.1765 14.1765 14.8216 14.8216 14.8327 14.8327 k = 0.3889 0.5000 0.2234 ( 3780 PWs) bands (ev): -41.7358 -41.7358 -41.7358 -41.7358 -19.4844 -19.4844 -19.4787 -19.4787 -17.4583 -17.4583 -17.4556 -17.4556 -17.4023 -17.4023 -17.3970 -17.3970 2.6501 2.6501 2.6535 2.6535 3.6321 3.6321 3.6617 3.6617 6.6926 6.6926 6.7042 6.7042 8.8713 8.8713 8.8909 8.8909 9.8661 9.8661 9.8689 9.8689 10.6115 10.6115 10.6209 10.6209 11.4768 11.4768 11.5114 11.5114 14.1827 14.1827 14.2251 14.2251 14.8130 14.8130 14.8243 14.8243 k = 0.4000 0.5000 0.2234 ( 3780 PWs) bands (ev): -41.7356 -41.7356 -41.7356 -41.7356 -19.4849 -19.4849 -19.4796 -19.4796 -17.4594 -17.4594 -17.4567 -17.4567 -17.4025 -17.4025 -17.3979 -17.3979 2.6625 2.6625 2.6653 2.6653 3.6757 3.6757 3.7039 3.7039 6.6306 6.6306 6.6426 6.6426 8.8364 8.8364 8.8535 8.8535 9.8847 9.8847 9.8881 9.8881 10.6155 10.6155 10.6235 10.6235 11.4650 11.4650 11.4972 11.4972 14.2307 14.2307 14.2704 14.2704 14.8049 14.8049 14.8162 14.8162 k = 0.4111 0.5000 0.2234 ( 3780 PWs) bands (ev): -41.7355 -41.7355 -41.7354 -41.7354 -19.4853 -19.4853 -19.4805 -19.4805 -17.4604 -17.4604 -17.4578 -17.4578 -17.4027 -17.4027 -17.3987 -17.3987 2.6737 2.6737 2.6761 2.6761 3.7170 3.7170 3.7435 3.7435 6.5735 6.5735 6.5856 6.5856 8.8020 8.8020 8.8167 8.8167 9.9027 9.9027 9.9063 9.9063 10.6227 10.6227 10.6293 10.6293 11.4545 11.4545 11.4839 11.4839 14.2751 14.2751 14.3117 14.3117 14.7977 14.7977 14.8089 14.8089 k = 0.4222 0.5000 0.2234 ( 3788 PWs) bands (ev): -41.7354 -41.7354 -41.7353 -41.7353 -19.4856 -19.4856 -19.4814 -19.4814 -17.4613 -17.4613 -17.4589 -17.4589 -17.4028 -17.4028 -17.3994 -17.3994 2.6837 2.6837 2.6858 2.6858 3.7555 3.7555 3.7799 3.7799 6.5216 6.5216 6.5335 6.5335 8.7694 8.7694 8.7819 8.7819 9.9188 9.9188 9.9224 9.9224 10.6323 10.6323 10.6379 10.6379 11.4452 11.4452 11.4717 11.4717 14.3151 14.3151 14.3482 14.3482 14.7919 14.7919 14.8028 14.8028 k = 0.4333 0.5000 0.2234 ( 3780 PWs) bands (ev): -41.7351 -41.7351 -41.7351 -41.7351 -19.4858 -19.4858 -19.4822 -19.4822 -17.4621 -17.4621 -17.4599 -17.4599 -17.4029 -17.4029 -17.4000 -17.4000 2.6926 2.6926 2.6943 2.6943 3.7908 3.7908 3.8126 3.8126 6.4756 6.4756 6.4867 6.4867 8.7397 8.7397 8.7500 8.7500 9.9326 9.9326 9.9359 9.9359 10.6436 10.6436 10.6483 10.6483 11.4373 11.4373 11.4605 11.4605 14.3500 14.3500 14.3790 14.3790 14.7880 14.7880 14.7984 14.7984 k = 0.4444 0.5000 0.2234 ( 3788 PWs) bands (ev): -41.7351 -41.7351 -41.7351 -41.7351 -19.4860 -19.4860 -19.4829 -19.4829 -17.4628 -17.4628 -17.4609 -17.4609 -17.4028 -17.4028 -17.4005 -17.4005 2.7001 2.7001 2.7015 2.7015 3.8222 3.8222 3.8411 3.8411 6.4358 6.4358 6.4458 6.4458 8.7135 8.7135 8.7219 8.7219 9.9438 9.9438 9.9468 9.9468 10.6556 10.6556 10.6594 10.6594 11.4309 11.4309 11.4506 11.4506 14.3793 14.3793 14.4039 14.4039 14.7862 14.7862 14.7958 14.7958 k = 0.4556 0.5000 0.2234 ( 3796 PWs) bands (ev): -41.7351 -41.7351 -41.7350 -41.7350 -19.4860 -19.4860 -19.4835 -19.4835 -17.4633 -17.4633 -17.4617 -17.4617 -17.4028 -17.4028 -17.4009 -17.4009 2.7064 2.7064 2.7075 2.7075 3.8492 3.8492 3.8648 3.8648 6.4028 6.4028 6.4113 6.4113 8.6915 8.6915 8.6981 8.6981 9.9527 9.9527 9.9551 9.9551 10.6673 10.6673 10.6703 10.6703 11.4258 11.4258 11.4419 11.4419 14.4028 14.4028 14.4226 14.4226 14.7863 14.7863 14.7947 14.7947 k = 0.4667 0.5000 0.2234 ( 3804 PWs) bands (ev): -41.7350 -41.7350 -41.7350 -41.7350 -19.4860 -19.4860 -19.4841 -19.4841 -17.4636 -17.4636 -17.4624 -17.4624 -17.4027 -17.4027 -17.4013 -17.4013 2.7114 2.7114 2.7122 2.7122 3.8713 3.8713 3.8833 3.8833 6.3768 6.3768 6.3835 6.3835 8.6741 8.6741 8.6790 8.6790 9.9593 9.9593 9.9612 9.9612 10.6776 10.6776 10.6799 10.6799 11.4224 11.4224 11.4345 11.4345 14.4207 14.4207 14.4356 14.4356 14.7880 14.7880 14.7948 14.7948 k = 0.4778 0.5000 0.2234 ( 3816 PWs) bands (ev): -41.7351 -41.7351 -41.7351 -41.7351 -19.4859 -19.4859 -19.4847 -19.4847 -17.4638 -17.4638 -17.4630 -17.4630 -17.4025 -17.4025 -17.4016 -17.4016 2.7149 2.7149 2.7155 2.7155 3.8881 3.8881 3.8963 3.8963 6.3584 6.3584 6.3630 6.3630 8.6617 8.6617 8.6649 8.6649 9.9639 9.9639 9.9652 9.9652 10.6858 10.6858 10.6873 10.6873 11.4204 11.4204 11.4286 11.4286 14.4336 14.4336 14.4435 14.4435 14.7904 14.7904 14.7953 14.7953 k = 0.4889 0.5000 0.2234 ( 3816 PWs) bands (ev): -41.7350 -41.7350 -41.7350 -41.7350 -19.4857 -19.4857 -19.4851 -19.4851 -17.4639 -17.4639 -17.4635 -17.4635 -17.4023 -17.4023 -17.4019 -17.4019 2.7172 2.7172 2.7174 2.7174 3.8991 3.8991 3.9033 3.9033 6.3477 6.3477 6.3501 6.3501 8.6545 8.6545 8.6561 8.6561 9.9667 9.9667 9.9673 9.9673 10.6911 10.6911 10.6919 10.6919 11.4201 11.4201 11.4242 11.4242 14.4419 14.4419 14.4469 14.4469 14.7928 14.7928 14.7954 14.7954 k = 0.5000 0.5000 0.2234 ( 3816 PWs) bands (ev): -41.7350 -41.7350 -41.7350 -41.7350 -19.4854 -19.4854 -19.4854 -19.4854 -17.4638 -17.4638 -17.4638 -17.4638 -17.4021 -17.4021 -17.4021 -17.4021 2.7180 2.7180 2.7180 2.7180 3.9043 3.9043 3.9043 3.9043 6.3450 6.3450 6.3450 6.3450 8.6526 8.6526 8.6526 8.6526 9.9678 9.9678 9.9678 9.9678 10.6932 10.6932 10.6932 10.6932 11.4214 11.4214 11.4214 11.4214 14.4463 14.4463 14.4463 14.4463 14.7946 14.7946 14.7946 14.7946 k = 0.5000 0.5000 0.2234 ( 3816 PWs) bands (ev): -41.7350 -41.7350 -41.7350 -41.7350 -19.4854 -19.4854 -19.4854 -19.4854 -17.4638 -17.4638 -17.4638 -17.4638 -17.4021 -17.4021 -17.4021 -17.4021 2.7180 2.7180 2.7180 2.7180 3.9043 3.9043 3.9043 3.9043 6.3450 6.3450 6.3450 6.3450 8.6526 8.6526 8.6526 8.6526 9.9678 9.9678 9.9678 9.9678 10.6932 10.6932 10.6932 10.6932 11.4214 11.4214 11.4214 11.4214 14.4463 14.4463 14.4463 14.4463 14.7946 14.7946 14.7946 14.7946 k = 0.4921 0.4921 0.2234 ( 3816 PWs) bands (ev): -41.7350 -41.7350 -41.7350 -41.7350 -19.4857 -19.4857 -19.4851 -19.4851 -17.4639 -17.4639 -17.4635 -17.4635 -17.4024 -17.4024 -17.4019 -17.4019 2.7171 2.7171 2.7174 2.7174 3.8965 3.8965 3.9059 3.9059 6.3428 6.3428 6.3551 6.3551 8.6534 8.6534 8.6574 8.6574 9.9659 9.9659 9.9681 9.9681 10.6903 10.6903 10.6926 10.6926 11.4200 11.4200 11.4244 11.4244 14.4412 14.4412 14.4476 14.4476 14.7927 14.7927 14.7954 14.7954 k = 0.4841 0.4841 0.2234 ( 3814 PWs) bands (ev): -41.7351 -41.7351 -41.7350 -41.7350 -19.4859 -19.4859 -19.4846 -19.4846 -17.4638 -17.4638 -17.4630 -17.4630 -17.4025 -17.4025 -17.4016 -17.4016 2.7146 2.7146 2.7156 2.7156 3.8751 3.8751 3.9092 3.9092 6.3370 6.3370 6.3849 6.3849 8.6560 8.6560 8.6710 8.6710 9.9603 9.9603 9.9688 9.9688 10.6817 10.6817 10.6908 10.6908 11.4195 11.4195 11.4297 11.4297 14.4294 14.4294 14.4479 14.4479 14.7896 14.7896 14.7955 14.7955 k = 0.4762 0.4762 0.2234 ( 3802 PWs) bands (ev): -41.7351 -41.7351 -41.7349 -41.7349 -19.4860 -19.4860 -19.4841 -19.4841 -17.4636 -17.4636 -17.4624 -17.4624 -17.4027 -17.4027 -17.4013 -17.4013 2.7104 2.7104 2.7124 2.7124 3.8408 3.8408 3.9148 3.9148 6.3275 6.3275 6.4333 6.4333 8.6604 8.6604 8.6934 8.6934 9.9513 9.9513 9.9700 9.9700 10.6676 10.6676 10.6878 10.6878 11.4194 11.4194 11.4376 11.4376 14.4105 14.4105 14.4481 14.4481 14.7849 14.7849 14.7950 14.7950 k = 0.4683 0.4683 0.2234 ( 3800 PWs) bands (ev): -41.7352 -41.7352 -41.7350 -41.7350 -19.4860 -19.4860 -19.4835 -19.4835 -17.4633 -17.4633 -17.4616 -17.4616 -17.4028 -17.4028 -17.4009 -17.4009 2.7040 2.7040 2.7079 2.7079 3.7956 3.7956 3.9225 3.9225 6.3148 6.3148 6.4986 6.4986 8.6666 8.6666 8.7239 8.7239 9.9390 9.9390 9.9716 9.9716 10.6483 10.6483 10.6837 10.6837 11.4195 11.4195 11.4482 11.4482 14.3850 14.3850 14.4479 14.4479 14.7785 14.7785 14.7941 14.7941 k = 0.4603 0.4603 0.2234 ( 3788 PWs) bands (ev): -41.7352 -41.7352 -41.7350 -41.7350 -19.4860 -19.4860 -19.4828 -19.4828 -17.4628 -17.4628 -17.4607 -17.4607 -17.4029 -17.4029 -17.4005 -17.4005 2.6950 2.6950 2.7020 2.7020 3.7417 3.7417 3.9325 3.9325 6.2997 6.2997 6.5789 6.5789 8.6746 8.6746 8.7617 8.7617 9.9240 9.9240 9.9737 9.9737 10.6240 10.6240 10.6784 10.6784 11.4197 11.4197 11.4612 11.4612 14.3536 14.3536 14.4473 14.4473 14.7704 14.7704 14.7930 14.7930 k = 0.4524 0.4524 0.2234 ( 3786 PWs) bands (ev): -41.7353 -41.7353 -41.7351 -41.7351 -19.4858 -19.4858 -19.4820 -19.4820 -17.4621 -17.4621 -17.4596 -17.4596 -17.4029 -17.4029 -17.4001 -17.4001 2.6830 2.6830 2.6946 2.6946 3.6816 3.6816 3.9447 3.9447 6.2827 6.2827 6.6723 6.6723 8.6842 8.6842 8.8061 8.8061 9.9066 9.9066 9.9763 9.9763 10.5953 10.5953 10.6722 10.6722 11.4200 11.4200 11.4765 11.4765 14.3175 14.3175 14.4457 14.4457 14.7605 14.7605 14.7916 14.7916 k = 0.4444 0.4444 0.2234 ( 3782 PWs) bands (ev): -41.7354 -41.7354 -41.7353 -41.7353 -19.4856 -19.4856 -19.4812 -19.4812 -17.4613 -17.4613 -17.4583 -17.4583 -17.4030 -17.4030 -17.3996 -17.3996 2.6671 2.6671 2.6856 2.6856 3.6178 3.6178 3.9591 3.9591 6.2646 6.2646 6.7769 6.7769 8.6955 8.6955 8.8560 8.8560 9.8874 9.8874 9.9793 9.9793 10.5626 10.5626 10.6649 10.6649 11.4204 11.4204 11.4937 11.4937 14.2777 14.2777 14.4431 14.4431 14.7487 14.7487 14.7901 14.7901 k = 0.4365 0.4365 0.2234 ( 3786 PWs) bands (ev): -41.7355 -41.7355 -41.7355 -41.7355 -19.4854 -19.4854 -19.4802 -19.4802 -17.4604 -17.4604 -17.4569 -17.4569 -17.4030 -17.4030 -17.3990 -17.3990 2.6465 2.6465 2.6749 2.6749 3.5527 3.5527 3.9757 3.9757 6.2462 6.2462 6.8910 6.8910 8.7085 8.7085 8.9104 8.9104 9.8669 9.8669 9.9828 9.9828 10.5266 10.5266 10.6568 10.6568 11.4209 11.4209 11.5126 11.5126 14.2355 14.2355 14.4390 14.4390 14.7351 14.7351 14.7885 14.7885 k = 0.4286 0.4286 0.2234 ( 3788 PWs) bands (ev): -41.7358 -41.7358 -41.7357 -41.7357 -19.4850 -19.4850 -19.4792 -19.4792 -17.4593 -17.4593 -17.4554 -17.4554 -17.4029 -17.4029 -17.3985 -17.3985 2.6201 2.6201 2.6623 2.6623 3.4887 3.4887 3.9945 3.9945 6.2281 6.2281 7.0132 7.0132 8.7231 8.7231 8.9679 8.9679 9.8458 9.8458 9.9867 9.9867 10.4879 10.4879 10.6480 10.6480 11.4215 11.4215 11.5328 11.5328 14.1922 14.1922 14.4334 14.4334 14.7196 14.7196 14.7869 14.7869 k = 0.4206 0.4206 0.2234 ( 3780 PWs) bands (ev): -41.7359 -41.7359 -41.7359 -41.7359 -19.4846 -19.4846 -19.4781 -19.4781 -17.4581 -17.4581 -17.4537 -17.4537 -17.4029 -17.4029 -17.3978 -17.3978 2.5869 2.5869 2.6479 2.6479 3.4279 3.4279 4.0156 4.0156 6.2111 6.2111 7.1422 7.1422 8.7393 8.7393 9.0274 9.0274 9.8245 9.8245 9.9910 9.9910 10.4472 10.4472 10.6384 10.6384 11.4226 11.4226 11.5540 11.5540 14.1491 14.1491 14.4260 14.4260 14.7022 14.7022 14.7853 14.7853 k = 0.4127 0.4127 0.2234 ( 3776 PWs) bands (ev): -41.7362 -41.7362 -41.7360 -41.7360 -19.4841 -19.4841 -19.4770 -19.4770 -17.4567 -17.4567 -17.4518 -17.4518 -17.4027 -17.4027 -17.3972 -17.3972 2.5459 2.5459 2.6314 2.6314 3.3722 3.3722 4.0388 4.0388 6.1957 6.1957 7.2770 7.2770 8.7570 8.7570 9.0874 9.0874 9.8037 9.8037 9.9957 9.9957 10.4053 10.4053 10.6284 10.6284 11.4242 11.4242 11.5761 11.5761 14.1073 14.1073 14.4168 14.4168 14.6828 14.6828 14.7839 14.7839 k = 0.4048 0.4048 0.2234 ( 3772 PWs) bands (ev): -41.7364 -41.7364 -41.7362 -41.7362 -19.4835 -19.4835 -19.4757 -19.4757 -17.4553 -17.4553 -17.4499 -17.4499 -17.4025 -17.4025 -17.3964 -17.3964 2.4966 2.4966 2.6127 2.6127 3.3229 3.3229 4.0643 4.0643 6.1826 6.1826 7.4166 7.4166 8.7761 8.7761 9.1465 9.1465 9.7840 9.7840 10.0009 10.0009 10.3633 10.3633 10.6179 10.6179 11.4267 11.4267 11.5986 11.5986 14.0679 14.0679 14.4058 14.4058 14.6613 14.6613 14.7827 14.7827 k = 0.3968 0.3968 0.2234 ( 3776 PWs) bands (ev): -41.7368 -41.7368 -41.7365 -41.7365 -19.4829 -19.4829 -19.4744 -19.4744 -17.4537 -17.4537 -17.4478 -17.4478 -17.4023 -17.4023 -17.3957 -17.3957 2.4388 2.4388 2.5918 2.5918 3.2806 3.2806 4.0919 4.0919 6.1723 6.1723 7.5602 7.5602 8.7967 8.7967 9.2030 9.2030 9.7658 9.7658 10.0064 10.0064 10.3221 10.3221 10.6072 10.6072 11.4305 11.4305 11.6213 11.6213 14.0321 14.0321 14.3931 14.3931 14.6378 14.6378 14.7817 14.7817 k = 0.3889 0.3889 0.2234 ( 3776 PWs) bands (ev): -41.7371 -41.7371 -41.7367 -41.7367 -19.4822 -19.4822 -19.4730 -19.4730 -17.4521 -17.4521 -17.4455 -17.4455 -17.4020 -17.4020 -17.3949 -17.3949 2.3730 2.3730 2.5686 2.5686 3.2454 3.2454 4.1217 4.1217 6.1651 6.1651 7.7071 7.7071 8.8185 8.8185 9.2551 9.2551 9.7497 9.7497 10.0122 10.0122 10.2828 10.2828 10.5963 10.5963 11.4361 11.4361 11.6441 11.6441 14.0006 14.0006 14.3788 14.3788 14.6120 14.6120 14.7809 14.7809 k = 0.3810 0.3810 0.2234 ( 3772 PWs) bands (ev): -41.7374 -41.7374 -41.7370 -41.7370 -19.4814 -19.4814 -19.4716 -19.4716 -17.4503 -17.4503 -17.4432 -17.4432 -17.4016 -17.4016 -17.3940 -17.3940 2.3001 2.3001 2.5429 2.5429 3.2169 3.2169 4.1537 4.1537 6.1614 6.1614 7.8566 7.8566 8.8416 8.8416 9.3007 9.3007 9.7363 9.7363 10.0183 10.0183 10.2469 10.2469 10.5855 10.5855 11.4442 11.4442 11.6665 11.6665 13.9744 13.9744 14.3631 14.3631 14.5841 14.5841 14.7805 14.7805 k = 0.3730 0.3730 0.2234 ( 3776 PWs) bands (ev): -41.7378 -41.7378 -41.7374 -41.7374 -19.4806 -19.4806 -19.4701 -19.4701 -17.4486 -17.4486 -17.4407 -17.4407 -17.4011 -17.4011 -17.3931 -17.3931 2.2212 2.2212 2.5149 2.5149 3.1940 3.1940 4.1879 4.1879 6.1614 6.1614 8.0079 8.0079 8.8659 8.8659 9.3379 9.3379 9.7261 9.7261 10.0246 10.0246 10.2156 10.2156 10.5749 10.5749 11.4553 11.4553 11.6885 11.6885 13.9540 13.9540 14.3462 14.3462 14.5540 14.5540 14.7803 14.7803 k = 0.3651 0.3651 0.2234 ( 3776 PWs) bands (ev): -41.7382 -41.7382 -41.7377 -41.7377 -19.4797 -19.4797 -19.4685 -19.4685 -17.4468 -17.4468 -17.4381 -17.4381 -17.4005 -17.4005 -17.3921 -17.3921 2.1375 2.1375 2.4845 2.4845 3.1760 3.1760 4.2243 4.2243 6.1653 6.1653 8.1605 8.1605 8.8911 8.8911 9.3648 9.3648 9.7198 9.7198 10.0311 10.0311 10.1902 10.1902 10.5646 10.5646 11.4703 11.4703 11.7098 11.7098 13.9401 13.9401 14.3282 14.3282 14.5215 14.5215 14.7804 14.7804 k = 0.3571 0.3571 0.2234 ( 3780 PWs) bands (ev): -41.7386 -41.7386 -41.7380 -41.7380 -19.4788 -19.4788 -19.4669 -19.4669 -17.4449 -17.4449 -17.4354 -17.4354 -17.3997 -17.3997 -17.3911 -17.3911 2.0501 2.0501 2.4518 2.4518 3.1619 3.1619 4.2629 4.2629 6.1733 6.1733 8.3135 8.3135 8.9173 8.9173 9.3800 9.3800 9.7182 9.7182 10.0379 10.0379 10.1712 10.1712 10.5549 10.5549 11.4899 11.4899 11.7302 11.7302 13.9331 13.9331 14.3094 14.3094 14.4868 14.4868 14.7808 14.7808 k = 0.3492 0.3492 0.2234 ( 3776 PWs) bands (ev): -41.7390 -41.7390 -41.7383 -41.7383 -19.4778 -19.4778 -19.4652 -19.4652 -17.4431 -17.4431 -17.4326 -17.4326 -17.3988 -17.3988 -17.3900 -17.3900 1.9599 1.9599 2.4167 2.4167 3.1508 3.1508 4.3036 4.3036 6.1854 6.1854 8.4660 8.4660 8.9443 8.9443 9.3828 9.3828 9.7222 9.7222 10.0449 10.0449 10.1586 10.1586 10.5458 10.5458 11.5148 11.5148 11.7495 11.7495 13.9333 13.9333 14.2899 14.2899 14.4496 14.4496 14.7814 14.7814 k = 0.3413 0.3413 0.2234 ( 3780 PWs) bands (ev): -41.7395 -41.7395 -41.7387 -41.7387 -19.4768 -19.4768 -19.4634 -19.4634 -17.4414 -17.4414 -17.4298 -17.4298 -17.3978 -17.3978 -17.3889 -17.3889 1.8680 1.8680 2.3793 2.3793 3.1420 3.1420 4.3464 4.3464 6.2015 6.2015 8.6168 8.6168 8.9720 8.9720 9.3736 9.3736 9.7329 9.7329 10.0524 10.0524 10.1515 10.1515 10.5377 10.5377 11.5453 11.5453 11.7676 11.7676 13.9408 13.9408 14.2699 14.2699 14.4101 14.4101 14.7824 14.7824 k = 0.3333 0.3333 0.2234 ( 3782 PWs) bands (ev): -41.7399 -41.7399 -41.7391 -41.7391 -19.4758 -19.4758 -19.4616 -19.4616 -17.4396 -17.4396 -17.4268 -17.4268 -17.3965 -17.3965 -17.3878 -17.3878 1.7748 1.7748 2.3399 2.3399 3.1349 3.1349 4.3915 4.3915 6.2215 6.2215 8.7645 8.7645 9.0002 9.0002 9.3538 9.3538 9.7519 9.7519 10.0601 10.0601 10.1485 10.1485 10.5306 10.5306 11.5820 11.5820 11.7843 11.7843 13.9559 13.9559 14.2492 14.2492 14.3682 14.3682 14.7835 14.7835 k = 0.3254 0.3254 0.2234 ( 3782 PWs) bands (ev): -41.7404 -41.7404 -41.7394 -41.7394 -19.4746 -19.4746 -19.4598 -19.4598 -17.4380 -17.4380 -17.4237 -17.4237 -17.3951 -17.3951 -17.3866 -17.3866 1.6810 1.6810 2.2984 2.2984 3.1292 3.1292 4.4386 4.4386 6.2454 6.2454 8.9068 8.9068 9.0288 9.0288 9.3252 9.3252 9.7809 9.7809 10.0682 10.0682 10.1481 10.1481 10.5248 10.5248 11.6247 11.6247 11.7994 11.7994 13.9786 13.9786 14.2280 14.2280 14.3241 14.3241 14.7849 14.7849 k = 0.3175 0.3175 0.2234 ( 3782 PWs) bands (ev): -41.7409 -41.7409 -41.7398 -41.7398 -19.4735 -19.4735 -19.4579 -19.4579 -17.4365 -17.4365 -17.4206 -17.4206 -17.3934 -17.3934 -17.3853 -17.3853 1.5871 1.5871 2.2551 2.2551 3.1243 3.1243 4.4879 4.4879 6.2728 6.2728 9.0412 9.0412 9.0576 9.0576 9.2898 9.2898 9.8226 9.8226 10.0764 10.0764 10.1489 10.1489 10.5205 10.5205 11.6733 11.6733 11.8131 11.8131 14.0087 14.0087 14.2060 14.2060 14.2781 14.2781 14.7864 14.7864 k = 0.3095 0.3095 0.2234 ( 3786 PWs) bands (ev): -41.7414 -41.7414 -41.7402 -41.7402 -19.4723 -19.4723 -19.4560 -19.4560 -17.4351 -17.4351 -17.4174 -17.4174 -17.3916 -17.3916 -17.3840 -17.3840 1.4933 1.4933 2.2100 2.2100 3.1200 3.1200 4.5394 4.5394 6.3035 6.3035 9.0861 9.0861 9.1642 9.1642 9.2501 9.2501 9.8795 9.8795 10.0846 10.0846 10.1501 10.1501 10.5179 10.5179 11.7271 11.7271 11.8252 11.8252 14.0459 14.0459 14.1824 14.1824 14.2309 14.2309 14.7880 14.7880 k = 0.3016 0.3016 0.2234 ( 3790 PWs) bands (ev): -41.7419 -41.7419 -41.7407 -41.7407 -19.4711 -19.4711 -19.4540 -19.4540 -17.4339 -17.4339 -17.4141 -17.4141 -17.3895 -17.3895 -17.3826 -17.3826 1.4001 1.4001 2.1635 2.1635 3.1161 3.1161 4.5929 4.5929 6.3372 6.3372 9.1140 9.1140 9.2036 9.2036 9.2771 9.2771 9.9541 9.9541 10.0931 10.0931 10.1514 10.1514 10.5171 10.5171 11.7851 11.7851 11.8362 11.8362 14.0885 14.0885 14.1541 14.1541 14.1875 14.1875 14.7897 14.7897 k = 0.2937 0.2937 0.2234 ( 3790 PWs) bands (ev): -41.7424 -41.7424 -41.7411 -41.7411 -19.4699 -19.4699 -19.4520 -19.4520 -17.4327 -17.4327 -17.4108 -17.4108 -17.3873 -17.3873 -17.3812 -17.3812 1.3077 1.3077 2.1155 2.1155 3.1123 3.1123 4.6486 4.6486 6.3735 6.3735 9.1358 9.1358 9.1646 9.1646 9.3710 9.3710 10.0440 10.0440 10.1043 10.1043 10.1531 10.1531 10.5184 10.5184 11.8366 11.8366 11.8559 11.8559 14.1116 14.1116 14.1218 14.1218 14.1715 14.1715 14.7914 14.7914 k = 0.2857 0.2857 0.2234 ( 3784 PWs) bands (ev): -41.7430 -41.7430 -41.7413 -41.7413 -19.4686 -19.4686 -19.4500 -19.4500 -17.4317 -17.4317 -17.4074 -17.4074 -17.3849 -17.3849 -17.3795 -17.3795 1.2163 1.2163 2.0664 2.0664 3.1086 3.1086 4.7063 4.7063 6.4120 6.4120 9.1055 9.1055 9.1751 9.1751 9.4519 9.4519 10.0981 10.0981 10.1475 10.1475 10.1761 10.1761 10.5219 10.5219 11.8487 11.8487 11.9165 11.9165 14.0590 14.0590 14.1088 14.1088 14.2154 14.2154 14.7931 14.7931 k = 0.2778 0.2778 0.2234 ( 3796 PWs) bands (ev): -41.7437 -41.7437 -41.7418 -41.7418 -19.4673 -19.4673 -19.4479 -19.4479 -17.4309 -17.4309 -17.4040 -17.4040 -17.3826 -17.3826 -17.3777 -17.3777 1.1261 1.1261 2.0164 2.0164 3.1048 3.1048 4.7661 4.7661 6.4524 6.4524 9.0585 9.0585 9.2011 9.2011 9.5221 9.5221 10.1077 10.1077 10.1534 10.1534 10.2954 10.2954 10.5278 10.5278 11.8547 11.8547 11.9839 11.9839 14.0021 14.0021 14.0828 14.0828 14.2797 14.2797 14.7947 14.7947 k = 0.2698 0.2698 0.2234 ( 3804 PWs) bands (ev): -41.7443 -41.7443 -41.7423 -41.7423 -19.4660 -19.4660 -19.4459 -19.4459 -17.4301 -17.4301 -17.4006 -17.4006 -17.3803 -17.3803 -17.3756 -17.3756 1.0372 1.0372 1.9655 1.9655 3.1007 3.1007 4.8280 4.8280 6.4941 6.4941 9.0107 9.0107 9.2272 9.2272 9.5849 9.5849 10.1136 10.1136 10.1563 10.1563 10.4322 10.4322 10.5364 10.5364 11.8589 11.8589 12.0530 12.0530 13.9429 13.9429 14.0536 14.0536 14.3523 14.3523 14.7963 14.7963 k = 0.2619 0.2619 0.2234 ( 3800 PWs) bands (ev): -41.7448 -41.7448 -41.7427 -41.7427 -19.4647 -19.4647 -19.4438 -19.4438 -17.4295 -17.4295 -17.3972 -17.3972 -17.3781 -17.3781 -17.3731 -17.3731 0.9499 0.9499 1.9140 1.9140 3.0965 3.0965 4.8919 4.8919 6.5365 6.5365 8.9635 8.9635 9.2526 9.2526 9.6434 9.6434 10.1185 10.1185 10.1602 10.1602 10.5467 10.5467 10.5781 10.5781 11.8618 11.8618 12.1229 12.1229 13.8819 13.8819 14.0221 14.0221 14.4313 14.4313 14.7978 14.7978 k = 0.2540 0.2540 0.2234 ( 3804 PWs) bands (ev): -41.7453 -41.7453 -41.7431 -41.7431 -19.4634 -19.4634 -19.4417 -19.4417 -17.4290 -17.4290 -17.3937 -17.3937 -17.3762 -17.3762 -17.3702 -17.3702 0.8641 0.8641 1.8622 1.8622 3.0920 3.0920 4.9579 4.9579 6.5793 6.5793 8.9176 8.9176 9.2768 9.2768 9.6997 9.6997 10.1224 10.1224 10.1657 10.1657 10.5612 10.5612 10.7279 10.7279 11.8636 11.8636 12.1928 12.1928 13.8197 13.8197 13.9881 13.9881 14.5157 14.5157 14.7994 14.7994 k = 0.2460 0.2460 0.2234 ( 3804 PWs) bands (ev): -41.7459 -41.7459 -41.7436 -41.7436 -19.4621 -19.4621 -19.4396 -19.4396 -17.4285 -17.4285 -17.3903 -17.3903 -17.3743 -17.3743 -17.3671 -17.3671 0.7801 0.7801 1.8101 1.8101 3.0871 3.0871 5.0259 5.0259 6.6217 6.6217 8.8734 8.8734 9.2999 9.2999 9.7553 9.7553 10.1253 10.1253 10.1736 10.1736 10.5780 10.5780 10.8813 10.8813 11.8645 11.8645 12.2621 12.2621 13.7566 13.7566 13.9518 13.9518 14.6042 14.6042 14.8017 14.8017 k = 0.2381 0.2381 0.2234 ( 3796 PWs) bands (ev): -41.7464 -41.7464 -41.7439 -41.7439 -19.4607 -19.4607 -19.4375 -19.4375 -17.4281 -17.4281 -17.3870 -17.3870 -17.3725 -17.3725 -17.3638 -17.3638 0.6979 0.6979 1.7579 1.7579 3.0820 3.0820 5.0958 5.0958 6.6633 6.6633 8.8314 8.8314 9.3215 9.3215 9.8112 9.8112 10.1264 10.1264 10.1849 10.1849 10.5976 10.5976 11.0365 11.0365 11.8648 11.8648 12.3304 12.3304 13.6930 13.6930 13.9133 13.9133 14.6934 14.6934 14.8069 14.8069 k = 0.2302 0.2302 0.2234 ( 3800 PWs) bands (ev): -41.7470 -41.7470 -41.7442 -41.7442 -19.4594 -19.4594 -19.4355 -19.4355 -17.4278 -17.4278 -17.3837 -17.3837 -17.3706 -17.3706 -17.3603 -17.3603 0.6177 0.6177 1.7059 1.7059 3.0765 3.0765 5.1677 5.1677 6.7035 6.7035 8.7920 8.7920 9.3418 9.3418 9.8679 9.8679 10.1252 10.1252 10.2006 10.2006 10.6200 10.6200 11.1925 11.1925 11.8646 11.8646 12.3972 12.3972 13.6295 13.6295 13.8727 13.8727 14.7648 14.7648 14.8325 14.8325 k = 0.2222 0.2222 0.2234 ( 3796 PWs) bands (ev): -41.7475 -41.7475 -41.7447 -41.7447 -19.4581 -19.4581 -19.4334 -19.4334 -17.4275 -17.4275 -17.3806 -17.3806 -17.3686 -17.3686 -17.3568 -17.3568 0.5394 0.5394 1.6542 1.6542 3.0708 3.0708 5.2416 5.2416 6.7418 6.7418 8.7554 8.7554 9.3606 9.3606 9.9256 9.9256 10.1211 10.1211 10.2213 10.2213 10.6452 10.6452 11.3485 11.3485 11.8641 11.8641 12.4623 12.4623 13.5666 13.5666 13.8304 13.8304 14.7848 14.7848 14.9105 14.9105 k = 0.2143 0.2143 0.2234 ( 3808 PWs) bands (ev): -41.7482 -41.7482 -41.7451 -41.7451 -19.4568 -19.4568 -19.4314 -19.4314 -17.4273 -17.4273 -17.3777 -17.3777 -17.3665 -17.3665 -17.3532 -17.3532 0.4632 0.4632 1.6029 1.6029 3.0648 3.0648 5.3173 5.3173 6.7775 6.7775 8.7219 8.7219 9.3779 9.3779 9.9842 9.9842 10.1140 10.1140 10.2474 10.2474 10.6730 10.6730 11.5037 11.5037 11.8636 11.8636 12.5254 12.5254 13.5047 13.5047 13.7868 13.7868 14.7879 14.7879 15.0047 15.0047 k = 0.2063 0.2063 0.2234 ( 3806 PWs) bands (ev): -41.7487 -41.7487 -41.7455 -41.7455 -19.4555 -19.4555 -19.4293 -19.4293 -17.4271 -17.4271 -17.3751 -17.3751 -17.3641 -17.3641 -17.3495 -17.3495 0.3892 0.3892 1.5522 1.5522 3.0585 3.0585 5.3950 5.3950 6.8104 6.8104 8.6918 8.6918 9.3937 9.3937 10.0430 10.0430 10.1044 10.1044 10.2793 10.2793 10.7033 10.7033 11.6578 11.6578 11.8632 11.8632 12.5863 12.5863 13.4445 13.4445 13.7424 13.7424 14.7878 14.7878 15.0988 15.0988 k = 0.1984 0.1984 0.2234 ( 3810 PWs) bands (ev): -41.7492 -41.7492 -41.7460 -41.7460 -19.4542 -19.4542 -19.4273 -19.4273 -17.4269 -17.4269 -17.3727 -17.3727 -17.3616 -17.3616 -17.3459 -17.3459 0.3174 0.3174 1.5023 1.5023 3.0520 3.0520 5.4744 5.4744 6.8400 6.8400 8.6651 8.6651 9.4082 9.4082 10.0814 10.0814 10.1121 10.1121 10.3173 10.3173 10.7359 10.7359 11.8100 11.8100 11.8632 11.8632 12.6449 12.6449 13.3866 13.3866 13.6979 13.6979 14.7864 14.7864 15.1864 15.1864 k = 0.1905 0.1905 0.2234 ( 3810 PWs) bands (ev): -41.7497 -41.7497 -41.7464 -41.7464 -19.4529 -19.4529 -19.4253 -19.4253 -17.4268 -17.4268 -17.3705 -17.3705 -17.3588 -17.3588 -17.3422 -17.3422 0.2479 0.2479 1.4532 1.4532 3.0454 3.0454 5.5557 5.5557 6.8659 6.8659 8.6420 8.6420 9.4213 9.4213 10.0667 10.0667 10.1697 10.1697 10.3616 10.3616 10.7705 10.7705 11.8629 11.8629 11.9606 11.9606 12.7011 12.7011 13.3315 13.3315 13.6539 13.6539 14.7841 14.7841 15.2565 15.2565 k = 0.1825 0.1825 0.2234 ( 3808 PWs) bands (ev): -41.7502 -41.7502 -41.7467 -41.7467 -19.4517 -19.4517 -19.4234 -19.4234 -17.4267 -17.4267 -17.3686 -17.3686 -17.3560 -17.3560 -17.3386 -17.3386 0.1808 0.1808 1.4052 1.4052 3.0386 3.0386 5.6387 5.6387 6.8880 6.8880 8.6224 8.6224 9.4332 9.4332 10.0438 10.0438 10.2314 10.2314 10.4123 10.4123 10.8069 10.8069 11.8633 11.8633 12.1080 12.1080 12.7549 12.7549 13.2799 13.2799 13.6113 13.6113 14.7812 14.7812 15.2741 15.2741 k = 0.1746 0.1746 0.2234 ( 3808 PWs) bands (ev): -41.7507 -41.7507 -41.7471 -41.7471 -19.4505 -19.4505 -19.4215 -19.4215 -17.4266 -17.4266 -17.3669 -17.3669 -17.3530 -17.3530 -17.3350 -17.3350 0.1161 0.1161 1.3583 1.3583 3.0317 3.0317 5.7234 5.7234 6.9063 6.9063 8.6063 8.6063 9.4439 9.4439 10.0156 10.0156 10.2937 10.2937 10.4697 10.4697 10.8449 10.8449 11.8638 11.8638 12.2523 12.2523 12.8062 12.8062 13.2324 13.2324 13.5709 13.5709 14.7776 14.7776 15.2312 15.2312 k = 0.1667 0.1667 0.2234 ( 3818 PWs) bands (ev): -41.7513 -41.7513 -41.7476 -41.7476 -19.4493 -19.4493 -19.4196 -19.4196 -17.4265 -17.4265 -17.3653 -17.3653 -17.3500 -17.3500 -17.3315 -17.3315 0.0538 0.0538 1.3127 1.3127 3.0248 3.0248 5.8098 5.8098 6.9206 6.9206 8.5935 8.5935 9.4535 9.4535 9.9823 9.9823 10.3558 10.3558 10.5338 10.5338 10.8840 10.8840 11.8643 11.8643 12.3925 12.3925 12.8553 12.8553 13.1896 13.1896 13.5335 13.5335 14.7735 14.7735 15.1713 15.1713 k = 0.1587 0.1587 0.2234 ( 3810 PWs) bands (ev): -41.7516 -41.7516 -41.7479 -41.7479 -19.4481 -19.4481 -19.4178 -19.4178 -17.4264 -17.4264 -17.3638 -17.3638 -17.3469 -17.3469 -17.3280 -17.3280 -0.0059 -0.0059 1.2685 1.2685 3.0179 3.0179 5.8977 5.8977 6.9312 6.9312 8.5837 8.5837 9.4622 9.4622 9.9436 9.9436 10.4173 10.4173 10.6046 10.6046 10.9241 10.9241 11.8646 11.8646 12.5275 12.5275 12.9026 12.9026 13.1521 13.1521 13.5002 13.5002 14.7689 14.7689 15.1078 15.1078 k = 0.1508 0.1508 0.2234 ( 3808 PWs) bands (ev): -41.7521 -41.7521 -41.7482 -41.7482 -19.4470 -19.4470 -19.4161 -19.4161 -17.4263 -17.4263 -17.3624 -17.3624 -17.3439 -17.3439 -17.3246 -17.3246 -0.0631 -0.0631 1.2257 1.2257 3.0111 3.0111 5.9872 5.9872 6.9383 6.9383 8.5768 8.5768 9.4700 9.4700 9.8994 9.8994 10.4778 10.4778 10.6821 10.6821 10.9648 10.9648 11.8642 11.8642 12.6551 12.6551 12.9492 12.9492 13.1206 13.1206 13.4720 13.4720 14.7638 14.7638 15.0438 15.0438 k = 0.1429 0.1429 0.2234 ( 3808 PWs) bands (ev): -41.7525 -41.7525 -41.7485 -41.7485 -19.4459 -19.4459 -19.4144 -19.4144 -17.4263 -17.4263 -17.3611 -17.3611 -17.3410 -17.3410 -17.3213 -17.3213 -0.1176 -0.1176 1.1846 1.1846 3.0043 3.0043 6.0780 6.0780 6.9421 6.9421 8.5724 8.5724 9.4770 9.4770 9.8498 9.8498 10.5371 10.5371 10.7661 10.7661 11.0057 11.0057 11.8628 11.8628 12.7711 12.7711 12.9977 12.9977 13.0964 13.0964 13.4502 13.4502 14.7583 14.7583 14.9805 14.9805 k = 0.1349 0.1349 0.2234 ( 3808 PWs) bands (ev): -41.7529 -41.7529 -41.7489 -41.7489 -19.4449 -19.4449 -19.4127 -19.4127 -17.4262 -17.4262 -17.3599 -17.3599 -17.3381 -17.3381 -17.3181 -17.3181 -0.1694 -0.1694 1.1451 1.1451 2.9976 2.9976 6.1702 6.1702 6.9431 6.9431 8.5703 8.5703 9.4832 9.4832 9.7948 9.7948 10.5948 10.5948 10.8563 10.8563 11.0466 11.0466 11.8599 11.8599 12.8661 12.8661 13.0536 13.0536 13.0820 13.0820 13.4365 13.4365 14.7522 14.7522 14.9186 14.9186 k = 0.1270 0.1270 0.2234 ( 3816 PWs) bands (ev): -41.7535 -41.7535 -41.7492 -41.7492 -19.4439 -19.4439 -19.4112 -19.4112 -17.4261 -17.4261 -17.3588 -17.3588 -17.3353 -17.3353 -17.3151 -17.3151 -0.2186 -0.2186 1.1074 1.1074 2.9912 2.9912 6.2636 6.2636 6.9416 6.9416 8.5699 8.5699 9.4887 9.4887 9.7347 9.7347 10.6508 10.6508 10.9523 10.9523 11.0872 11.0872 11.8549 11.8549 12.9283 12.9283 13.0762 13.0762 13.1278 13.1278 13.4333 13.4333 14.7456 14.7456 14.8588 14.8588 k = 0.1190 0.1190 0.2234 ( 3820 PWs) bands (ev): -41.7538 -41.7538 -41.7495 -41.7495 -19.4429 -19.4429 -19.4097 -19.4097 -17.4261 -17.4261 -17.3577 -17.3577 -17.3327 -17.3327 -17.3122 -17.3122 -0.2649 -0.2649 1.0716 1.0716 2.9849 2.9849 6.3581 6.3581 6.9380 6.9380 8.5711 8.5711 9.4933 9.4933 9.6698 9.6698 10.7051 10.7051 11.0534 11.0534 11.1275 11.1275 11.8474 11.8474 12.9581 12.9581 13.0865 13.0865 13.2078 13.2078 13.4456 13.4456 14.7380 14.7380 14.8020 14.8020 k = 0.1111 0.1111 0.2234 ( 3822 PWs) bands (ev): -41.7542 -41.7542 -41.7498 -41.7498 -19.4420 -19.4420 -19.4083 -19.4083 -17.4260 -17.4260 -17.3567 -17.3567 -17.3301 -17.3301 -17.3094 -17.3094 -0.3085 -0.3085 1.0377 1.0377 2.9788 2.9788 6.4534 6.4534 6.9328 6.9328 8.5735 8.5735 9.4965 9.4965 9.6012 9.6012 10.7575 10.7575 11.1535 11.1535 11.1726 11.1726 11.8370 11.8370 12.9696 12.9696 13.1053 13.1053 13.2782 13.2782 13.4818 13.4818 14.7254 14.7254 14.7526 14.7526 k = 0.1032 0.1032 0.2234 ( 3810 PWs) bands (ev): -41.7545 -41.7545 -41.7500 -41.7500 -19.4412 -19.4412 -19.4070 -19.4070 -17.4260 -17.4260 -17.3557 -17.3557 -17.3277 -17.3277 -17.3067 -17.3067 -0.3493 -0.3493 1.0058 1.0058 2.9731 2.9731 6.5495 6.5495 6.9263 6.9263 8.5769 8.5769 9.4922 9.4922 9.5355 9.5355 10.8080 10.8080 11.2010 11.2010 11.2735 11.2735 11.8234 11.8234 12.9748 12.9748 13.1267 13.1267 13.3277 13.3277 13.5467 13.5467 14.6881 14.6881 14.7305 14.7305 k = 0.0952 0.0952 0.2234 ( 3810 PWs) bands (ev): -41.7548 -41.7548 -41.7502 -41.7502 -19.4404 -19.4404 -19.4057 -19.4057 -17.4259 -17.4259 -17.3548 -17.3548 -17.3254 -17.3254 -17.3042 -17.3042 -0.3871 -0.3871 0.9760 0.9760 2.9676 2.9676 6.6460 6.6460 6.9189 6.9189 8.5809 8.5809 9.4392 9.4392 9.5142 9.5142 10.8568 10.8568 11.2373 11.2373 11.3878 11.3878 11.8067 11.8067 12.9792 12.9792 13.1475 13.1475 13.3626 13.3626 13.6310 13.6310 14.6413 14.6413 14.7202 14.7202 k = 0.0873 0.0873 0.2234 ( 3814 PWs) bands (ev): -41.7551 -41.7551 -41.7505 -41.7505 -19.4397 -19.4397 -19.4046 -19.4046 -17.4259 -17.4259 -17.3540 -17.3540 -17.3233 -17.3233 -17.3019 -17.3019 -0.4221 -0.4221 0.9484 0.9484 2.9625 2.9625 6.7426 6.7426 6.9109 6.9109 8.5854 8.5854 9.3609 9.3609 9.5148 9.5148 10.9039 10.9039 11.2712 11.2712 11.5053 11.5053 11.7873 11.7873 12.9845 12.9845 13.1662 13.1662 13.3926 13.3926 13.7232 13.7232 14.5967 14.5967 14.7089 14.7089 k = 0.0794 0.0794 0.2234 ( 3810 PWs) bands (ev): -41.7553 -41.7553 -41.7507 -41.7507 -19.4390 -19.4390 -19.4035 -19.4035 -17.4259 -17.4259 -17.3532 -17.3532 -17.3213 -17.3213 -17.2997 -17.2997 -0.4541 -0.4541 0.9230 0.9230 2.9577 2.9577 6.8391 6.8391 6.9027 6.9027 8.5900 8.5900 9.2783 9.2783 9.5171 9.5171 10.9494 10.9494 11.3027 11.3027 11.6236 11.6236 11.7669 11.7669 12.9911 12.9911 13.1822 13.1822 13.4226 13.4226 13.8175 13.8175 14.5553 14.5553 14.6896 14.6896 k = 0.0714 0.0714 0.2234 ( 3818 PWs) bands (ev): -41.7557 -41.7557 -41.7508 -41.7508 -19.4384 -19.4384 -19.4025 -19.4025 -17.4258 -17.4258 -17.3525 -17.3525 -17.3195 -17.3195 -17.2977 -17.2977 -0.4832 -0.4832 0.8998 0.8998 2.9534 2.9534 6.8945 6.8945 6.9348 6.9348 8.5946 8.5946 9.1936 9.1936 9.5195 9.5195 10.9935 10.9935 11.3316 11.3316 11.7142 11.7142 11.7736 11.7736 12.9988 12.9988 13.1953 13.1953 13.4538 13.4538 13.9113 13.9113 14.5171 14.5171 14.6394 14.6394 k = 0.0635 0.0635 0.2234 ( 3808 PWs) bands (ev): -41.7558 -41.7558 -41.7510 -41.7510 -19.4378 -19.4378 -19.4016 -19.4016 -17.4258 -17.4258 -17.3519 -17.3519 -17.3179 -17.3179 -17.2959 -17.2959 -0.5093 -0.5093 0.8790 0.8790 2.9494 2.9494 6.8865 6.8865 7.0292 7.0292 8.5989 8.5989 9.1083 9.1083 9.5219 9.5219 11.0364 11.0364 11.3574 11.3574 11.7025 11.7025 11.8816 11.8816 13.0068 13.0068 13.2053 13.2053 13.4862 13.4862 14.0038 14.0038 14.4801 14.4801 14.5535 14.5535 k = 0.0556 0.0556 0.2234 ( 3816 PWs) bands (ev): -41.7561 -41.7561 -41.7512 -41.7512 -19.4373 -19.4373 -19.4009 -19.4009 -17.4258 -17.4258 -17.3514 -17.3514 -17.3165 -17.3165 -17.2944 -17.2944 -0.5323 -0.5323 0.8605 0.8605 2.9458 2.9458 6.8790 6.8790 7.1213 7.1213 8.6028 8.6028 9.0236 9.0236 9.5239 9.5239 11.0781 11.0781 11.3798 11.3798 11.6753 11.6753 12.0036 12.0036 13.0143 13.0143 13.2123 13.2123 13.5187 13.5187 14.0943 14.0943 14.4267 14.4267 14.4771 14.4771 k = 0.0476 0.0476 0.2234 ( 3820 PWs) bands (ev): -41.7563 -41.7563 -41.7514 -41.7514 -19.4369 -19.4369 -19.4002 -19.4002 -17.4257 -17.4257 -17.3509 -17.3509 -17.3152 -17.3152 -17.2930 -17.2930 -0.5524 -0.5524 0.8443 0.8443 2.9427 2.9427 6.8722 6.8722 7.2101 7.2101 8.6058 8.6058 8.9412 8.9412 9.5258 9.5258 11.1186 11.1186 11.3982 11.3982 11.6464 11.6464 12.1255 12.1255 13.0201 13.0201 13.2167 13.2167 13.5501 13.5501 14.1812 14.1812 14.3378 14.3378 14.4416 14.4416 k = 0.0397 0.0397 0.2234 ( 3826 PWs) bands (ev): -41.7565 -41.7565 -41.7516 -41.7516 -19.4365 -19.4365 -19.3996 -19.3996 -17.4257 -17.4257 -17.3505 -17.3505 -17.3141 -17.3141 -17.2918 -17.2918 -0.5693 -0.5693 0.8307 0.8307 2.9401 2.9401 6.8662 6.8662 7.2937 7.2937 8.6077 8.6077 8.8634 8.8634 9.5274 9.5274 11.1581 11.1581 11.4117 11.4117 11.6179 11.6179 12.2445 12.2445 13.0227 13.0227 13.2185 13.2185 13.5792 13.5792 14.2216 14.2216 14.2883 14.2883 14.4199 14.4199 k = 0.0317 0.0317 0.2234 ( 3822 PWs) bands (ev): -41.7565 -41.7565 -41.7517 -41.7517 -19.4362 -19.4362 -19.3991 -19.3991 -17.4257 -17.4257 -17.3501 -17.3501 -17.3132 -17.3132 -17.2908 -17.2908 -0.5833 -0.5833 0.8194 0.8194 2.9379 2.9379 6.8611 6.8611 7.3702 7.3702 8.6076 8.6076 8.7933 8.7933 9.5287 9.5287 11.1964 11.1964 11.4189 11.4189 11.5918 11.5918 12.3577 12.3577 13.0205 13.0205 13.2185 13.2185 13.6048 13.6048 14.1429 14.1429 14.3562 14.3562 14.4096 14.4096 k = 0.0238 0.0238 0.2234 ( 3822 PWs) bands (ev): -41.7566 -41.7566 -41.7518 -41.7518 -19.4360 -19.4360 -19.3988 -19.3988 -17.4257 -17.4257 -17.3499 -17.3499 -17.3125 -17.3125 -17.2900 -17.2900 -0.5941 -0.5941 0.8107 0.8107 2.9362 2.9362 6.8570 6.8570 7.4363 7.4363 8.6040 8.6040 8.7354 8.7354 9.5297 9.5297 11.2329 11.2329 11.4184 11.4184 11.5706 11.5706 12.4615 12.4615 13.0122 13.0122 13.2173 13.2173 13.6259 13.6259 14.0664 14.0664 14.3784 14.3784 14.4554 14.4554 k = 0.0159 0.0159 0.2234 ( 3818 PWs) bands (ev): -41.7566 -41.7566 -41.7518 -41.7518 -19.4358 -19.4358 -19.3985 -19.3985 -17.4257 -17.4257 -17.3497 -17.3497 -17.3120 -17.3120 -17.2895 -17.2895 -0.6018 -0.6018 0.8044 0.8044 2.9349 2.9349 6.8541 6.8541 7.4883 7.4883 8.5955 8.5955 8.6952 8.6952 9.5304 9.5304 11.2666 11.2666 11.4096 11.4096 11.5561 11.5561 12.5498 12.5498 12.9981 12.9981 13.2157 13.2157 13.6417 13.6417 14.0060 14.0060 14.3725 14.3725 14.5260 14.5260 k = 0.0079 0.0079 0.2234 ( 3818 PWs) bands (ev): -41.7566 -41.7566 -41.7518 -41.7518 -19.4357 -19.4357 -19.3983 -19.3983 -17.4257 -17.4257 -17.3496 -17.3496 -17.3117 -17.3117 -17.2892 -17.2892 -0.6065 -0.6065 0.8006 0.8006 2.9342 2.9342 6.8523 6.8523 7.5219 7.5219 8.5843 8.5843 8.6747 8.6747 9.5309 9.5309 11.2942 11.2942 11.3959 11.3959 11.5484 11.5484 12.6127 12.6127 12.9823 12.9823 13.2144 13.2144 13.6515 13.6515 13.9671 13.9671 14.3677 14.3677 14.5794 14.5794 k = 0.0000 0.0000 0.2234 ( 3818 PWs) bands (ev): -41.7567 -41.7567 -41.7519 -41.7519 -19.4357 -19.4357 -19.3983 -19.3983 -17.4257 -17.4257 -17.3495 -17.3495 -17.3116 -17.3116 -17.2891 -17.2891 -0.6080 -0.6080 0.7994 0.7994 2.9340 2.9340 6.8517 6.8517 7.5336 7.5336 8.5789 8.5789 8.6690 8.6690 9.5310 9.5310 11.3065 11.3065 11.3880 11.3880 11.5461 11.5461 12.6364 12.6364 12.9749 12.9749 13.2139 13.2139 13.6548 13.6548 13.9537 13.9537 14.3661 14.3661 14.5985 14.5985 k = 0.0000 0.5000-0.0000 ( 3766 PWs) bands (ev): -41.7441 -41.7441 -41.7441 -41.7441 -19.4550 -19.4550 -19.4550 -19.4550 -17.4541 -17.4541 -17.4541 -17.4541 -17.3277 -17.3277 -17.3277 -17.3277 2.0071 2.0071 2.0071 2.0071 2.7760 2.7760 2.7760 2.7760 7.4789 7.4789 7.4789 7.4789 10.0970 10.0970 10.0970 10.0970 10.8022 10.8022 10.8022 10.8022 11.7207 11.7207 11.7207 11.7207 11.9314 11.9314 11.9314 11.9314 12.9175 12.9175 12.9175 12.9175 14.9066 14.9066 14.9066 14.9066 k = 0.0000 0.5000 0.0112 ( 3766 PWs) bands (ev): -41.7441 -41.7441 -41.7441 -41.7441 -19.4550 -19.4550 -19.4550 -19.4550 -17.4541 -17.4541 -17.4541 -17.4541 -17.3277 -17.3277 -17.3277 -17.3277 2.0076 2.0076 2.0076 2.0076 2.7752 2.7752 2.7752 2.7752 7.4809 7.4809 7.4809 7.4809 10.0966 10.0966 10.0966 10.0966 10.7953 10.7953 10.7953 10.7953 11.7215 11.7215 11.7215 11.7215 11.9332 11.9332 11.9332 11.9332 12.9224 12.9224 12.9224 12.9224 14.9068 14.9068 14.9068 14.9068 k = 0.0000 0.5000 0.0223 ( 3774 PWs) bands (ev): -41.7442 -41.7442 -41.7442 -41.7442 -19.4550 -19.4550 -19.4550 -19.4550 -17.4541 -17.4541 -17.4541 -17.4541 -17.3277 -17.3277 -17.3277 -17.3277 2.0091 2.0091 2.0091 2.0091 2.7726 2.7726 2.7726 2.7726 7.4871 7.4871 7.4871 7.4871 10.0955 10.0955 10.0955 10.0955 10.7750 10.7750 10.7750 10.7750 11.7240 11.7240 11.7240 11.7240 11.9385 11.9385 11.9385 11.9385 12.9369 12.9369 12.9369 12.9369 14.9075 14.9075 14.9075 14.9075 k = 0.0000 0.5000 0.0335 ( 3770 PWs) bands (ev): -41.7441 -41.7441 -41.7441 -41.7441 -19.4550 -19.4550 -19.4550 -19.4550 -17.4541 -17.4541 -17.4541 -17.4541 -17.3277 -17.3277 -17.3277 -17.3277 2.0117 2.0117 2.0117 2.0117 2.7684 2.7684 2.7684 2.7684 7.4973 7.4973 7.4973 7.4973 10.0937 10.0937 10.0937 10.0937 10.7425 10.7425 10.7425 10.7425 11.7280 11.7280 11.7280 11.7280 11.9464 11.9464 11.9464 11.9464 12.9606 12.9606 12.9606 12.9606 14.9085 14.9085 14.9085 14.9085 k = 0.0000 0.5000 0.0447 ( 3774 PWs) bands (ev): -41.7442 -41.7442 -41.7442 -41.7442 -19.4550 -19.4550 -19.4550 -19.4550 -17.4541 -17.4541 -17.4541 -17.4541 -17.3277 -17.3277 -17.3277 -17.3277 2.0152 2.0152 2.0152 2.0152 2.7626 2.7626 2.7626 2.7626 7.5114 7.5114 7.5114 7.5114 10.0913 10.0913 10.0913 10.0913 10.6995 10.6995 10.6995 10.6995 11.7336 11.7336 11.7336 11.7336 11.9559 11.9559 11.9559 11.9559 12.9928 12.9928 12.9928 12.9928 14.9099 14.9099 14.9099 14.9099 k = 0.0000 0.5000 0.0559 ( 3782 PWs) bands (ev): -41.7442 -41.7442 -41.7442 -41.7442 -19.4550 -19.4550 -19.4550 -19.4550 -17.4541 -17.4541 -17.4541 -17.4541 -17.3277 -17.3277 -17.3277 -17.3277 2.0196 2.0196 2.0196 2.0196 2.7553 2.7553 2.7553 2.7553 7.5291 7.5291 7.5291 7.5291 10.0882 10.0882 10.0882 10.0882 10.6479 10.6479 10.6479 10.6479 11.7407 11.7407 11.7407 11.7407 11.9660 11.9660 11.9660 11.9660 13.0325 13.0325 13.0325 13.0325 14.9118 14.9118 14.9118 14.9118 k = 0.0000 0.5000 0.0670 ( 3784 PWs) bands (ev): -41.7442 -41.7442 -41.7442 -41.7442 -19.4550 -19.4550 -19.4550 -19.4550 -17.4541 -17.4541 -17.4541 -17.4541 -17.3277 -17.3277 -17.3277 -17.3277 2.0248 2.0248 2.0248 2.0248 2.7468 2.7468 2.7468 2.7468 7.5502 7.5502 7.5502 7.5502 10.0846 10.0846 10.0846 10.0846 10.5896 10.5896 10.5896 10.5896 11.7489 11.7489 11.7489 11.7489 11.9759 11.9759 11.9759 11.9759 13.0785 13.0785 13.0785 13.0785 14.9141 14.9141 14.9141 14.9141 k = 0.0000 0.5000 0.0782 ( 3780 PWs) bands (ev): -41.7442 -41.7442 -41.7442 -41.7442 -19.4550 -19.4550 -19.4550 -19.4550 -17.4541 -17.4541 -17.4541 -17.4541 -17.3277 -17.3277 -17.3277 -17.3277 2.0309 2.0309 2.0309 2.0309 2.7370 2.7370 2.7370 2.7370 7.5743 7.5743 7.5743 7.5743 10.0804 10.0804 10.0804 10.0804 10.5267 10.5267 10.5267 10.5267 11.7582 11.7582 11.7582 11.7582 11.9852 11.9852 11.9852 11.9852 13.1296 13.1296 13.1296 13.1296 14.9167 14.9167 14.9167 14.9167 k = 0.0000 0.5000 0.0894 ( 3784 PWs) bands (ev): -41.7442 -41.7442 -41.7442 -41.7442 -19.4550 -19.4550 -19.4550 -19.4550 -17.4541 -17.4541 -17.4541 -17.4541 -17.3277 -17.3277 -17.3277 -17.3277 2.0376 2.0376 2.0376 2.0376 2.7263 2.7263 2.7263 2.7263 7.6011 7.6011 7.6011 7.6011 10.0757 10.0757 10.0757 10.0757 10.4609 10.4609 10.4609 10.4609 11.7683 11.7683 11.7683 11.7683 11.9934 11.9934 11.9934 11.9934 13.1842 13.1842 13.1842 13.1842 14.9197 14.9197 14.9197 14.9197 k = 0.0000 0.5000 0.1005 ( 3774 PWs) bands (ev): -41.7441 -41.7441 -41.7441 -41.7441 -19.4550 -19.4550 -19.4550 -19.4550 -17.4541 -17.4541 -17.4541 -17.4541 -17.3277 -17.3277 -17.3277 -17.3277 2.0449 2.0449 2.0449 2.0449 2.7148 2.7148 2.7148 2.7148 7.6300 7.6300 7.6300 7.6300 10.0706 10.0706 10.0706 10.0706 10.3939 10.3939 10.3939 10.3939 11.7789 11.7789 11.7789 11.7789 12.0005 12.0005 12.0005 12.0005 13.2409 13.2409 13.2409 13.2409 14.9231 14.9231 14.9231 14.9231 k = 0.0000 0.5000 0.1117 ( 3782 PWs) bands (ev): -41.7442 -41.7442 -41.7442 -41.7442 -19.4550 -19.4550 -19.4550 -19.4550 -17.4541 -17.4541 -17.4541 -17.4541 -17.3277 -17.3277 -17.3277 -17.3277 2.0526 2.0526 2.0526 2.0526 2.7028 2.7028 2.7028 2.7028 7.6604 7.6604 7.6604 7.6604 10.0648 10.0648 10.0648 10.0648 10.3272 10.3272 10.3272 10.3272 11.7898 11.7898 11.7898 11.7898 12.0064 12.0064 12.0064 12.0064 13.2984 13.2984 13.2984 13.2984 14.9267 14.9267 14.9267 14.9267 k = 0.0000 0.5000 0.1229 ( 3782 PWs) bands (ev): -41.7442 -41.7442 -41.7442 -41.7442 -19.4550 -19.4550 -19.4550 -19.4550 -17.4542 -17.4542 -17.4542 -17.4542 -17.3277 -17.3277 -17.3277 -17.3277 2.0606 2.0606 2.0606 2.0606 2.6906 2.6906 2.6906 2.6906 7.6919 7.6919 7.6919 7.6919 10.0579 10.0579 10.0579 10.0579 10.2628 10.2628 10.2628 10.2628 11.8005 11.8005 11.8005 11.8005 12.0114 12.0114 12.0114 12.0114 13.3552 13.3552 13.3552 13.3552 14.9307 14.9307 14.9307 14.9307 k = 0.0000 0.5000 0.1341 ( 3786 PWs) bands (ev): -41.7442 -41.7442 -41.7442 -41.7442 -19.4550 -19.4550 -19.4550 -19.4550 -17.4542 -17.4542 -17.4542 -17.4542 -17.3276 -17.3276 -17.3276 -17.3276 2.0687 2.0687 2.0687 2.0687 2.6784 2.6784 2.6784 2.6784 7.7236 7.7236 7.7236 7.7236 10.0493 10.0493 10.0493 10.0493 10.2029 10.2029 10.2029 10.2029 11.8110 11.8110 11.8110 11.8110 12.0156 12.0156 12.0156 12.0156 13.4100 13.4100 13.4100 13.4100 14.9347 14.9347 14.9347 14.9347 k = 0.0000 0.5000 0.1452 ( 3782 PWs) bands (ev): -41.7442 -41.7442 -41.7442 -41.7442 -19.4550 -19.4550 -19.4550 -19.4550 -17.4542 -17.4542 -17.4542 -17.4542 -17.3276 -17.3276 -17.3276 -17.3276 2.0767 2.0767 2.0767 2.0767 2.6665 2.6665 2.6665 2.6665 7.7547 7.7547 7.7547 7.7547 10.0365 10.0365 10.0365 10.0365 10.1509 10.1509 10.1509 10.1509 11.8208 11.8208 11.8208 11.8208 12.0190 12.0190 12.0190 12.0190 13.4616 13.4616 13.4616 13.4616 14.9389 14.9389 14.9389 14.9389 k = 0.0000 0.5000 0.1564 ( 3782 PWs) bands (ev): -41.7442 -41.7442 -41.7442 -41.7442 -19.4550 -19.4550 -19.4550 -19.4550 -17.4542 -17.4542 -17.4542 -17.4542 -17.3276 -17.3276 -17.3276 -17.3276 2.0843 2.0843 2.0843 2.0843 2.6553 2.6553 2.6553 2.6553 7.7844 7.7844 7.7844 7.7844 10.0159 10.0159 10.0159 10.0159 10.1119 10.1119 10.1119 10.1119 11.8298 11.8298 11.8298 11.8298 12.0218 12.0218 12.0218 12.0218 13.5088 13.5088 13.5088 13.5088 14.9430 14.9430 14.9430 14.9430 k = 0.0000 0.5000 0.1676 ( 3778 PWs) bands (ev): -41.7442 -41.7442 -41.7442 -41.7442 -19.4550 -19.4550 -19.4550 -19.4550 -17.4542 -17.4542 -17.4542 -17.4542 -17.3276 -17.3276 -17.3276 -17.3276 2.0913 2.0913 2.0913 2.0913 2.6451 2.6451 2.6451 2.6451 7.8117 7.8117 7.8117 7.8117 9.9861 9.9861 9.9861 9.9861 10.0886 10.0886 10.0886 10.0886 11.8376 11.8376 11.8376 11.8376 12.0242 12.0242 12.0242 12.0242 13.5506 13.5506 13.5506 13.5506 14.9469 14.9469 14.9469 14.9469 k = 0.0000 0.5000 0.1787 ( 3778 PWs) bands (ev): -41.7442 -41.7442 -41.7442 -41.7442 -19.4550 -19.4550 -19.4550 -19.4550 -17.4542 -17.4542 -17.4542 -17.4542 -17.3276 -17.3276 -17.3276 -17.3276 2.0975 2.0975 2.0975 2.0975 2.6361 2.6361 2.6361 2.6361 7.8358 7.8358 7.8358 7.8358 9.9531 9.9531 9.9531 9.9531 10.0762 10.0762 10.0762 10.0762 11.8443 11.8443 11.8443 11.8443 12.0260 12.0260 12.0260 12.0260 13.5862 13.5862 13.5862 13.5862 14.9504 14.9504 14.9504 14.9504 k = 0.0000 0.5000 0.1899 ( 3786 PWs) bands (ev): -41.7442 -41.7442 -41.7442 -41.7442 -19.4550 -19.4550 -19.4550 -19.4550 -17.4542 -17.4542 -17.4542 -17.4542 -17.3276 -17.3276 -17.3276 -17.3276 2.1027 2.1027 2.1027 2.1027 2.6288 2.6288 2.6288 2.6288 7.8557 7.8557 7.8557 7.8557 9.9233 9.9233 9.9233 9.9233 10.0692 10.0692 10.0692 10.0692 11.8496 11.8496 11.8496 11.8496 12.0275 12.0275 12.0275 12.0275 13.6146 13.6146 13.6146 13.6146 14.9534 14.9534 14.9534 14.9534 k = 0.0000 0.5000 0.2011 ( 3782 PWs) bands (ev): -41.7442 -41.7442 -41.7442 -41.7442 -19.4550 -19.4550 -19.4550 -19.4550 -17.4542 -17.4542 -17.4542 -17.4542 -17.3276 -17.3276 -17.3276 -17.3276 2.1065 2.1065 2.1065 2.1065 2.6234 2.6234 2.6234 2.6234 7.8705 7.8705 7.8705 7.8705 9.9003 9.9003 9.9003 9.9003 10.0652 10.0652 10.0652 10.0652 11.8535 11.8535 11.8535 11.8535 12.0286 12.0286 12.0286 12.0286 13.6354 13.6354 13.6354 13.6354 14.9556 14.9556 14.9556 14.9556 k = 0.0000 0.5000 0.2123 ( 3794 PWs) bands (ev): -41.7443 -41.7443 -41.7443 -41.7443 -19.4550 -19.4550 -19.4550 -19.4550 -17.4542 -17.4542 -17.4542 -17.4542 -17.3276 -17.3276 -17.3276 -17.3276 2.1089 2.1089 2.1089 2.1089 2.6200 2.6200 2.6200 2.6200 7.8798 7.8798 7.8798 7.8798 9.8859 9.8859 9.8859 9.8859 10.0631 10.0631 10.0631 10.0631 11.8558 11.8558 11.8558 11.8558 12.0292 12.0292 12.0292 12.0292 13.6481 13.6481 13.6481 13.6481 14.9571 14.9571 14.9571 14.9571 k = 0.0000 0.5000 0.2234 ( 3800 PWs) bands (ev): -41.7444 -41.7444 -41.7444 -41.7444 -19.4550 -19.4550 -19.4550 -19.4550 -17.4542 -17.4542 -17.4542 -17.4542 -17.3276 -17.3276 -17.3276 -17.3276 2.1097 2.1097 2.1097 2.1097 2.6189 2.6189 2.6189 2.6189 7.8829 7.8829 7.8829 7.8829 9.8810 9.8810 9.8810 9.8810 10.0624 10.0624 10.0624 10.0624 11.8565 11.8565 11.8565 11.8565 12.0294 12.0294 12.0294 12.0294 13.6523 13.6523 13.6523 13.6523 14.9575 14.9575 14.9575 14.9575 k = 0.5000 0.5000-0.0000 ( 3796 PWs) bands (ev): -41.7349 -41.7349 -41.7349 -41.7349 -19.4854 -19.4854 -19.4854 -19.4854 -17.4638 -17.4638 -17.4638 -17.4638 -17.4021 -17.4021 -17.4021 -17.4021 2.6881 2.6881 2.6881 2.6881 3.9021 3.9021 3.9021 3.9021 6.5474 6.5474 6.5474 6.5474 8.6969 8.6969 8.6969 8.6969 9.8919 9.8919 9.8919 9.8919 10.6422 10.6422 10.6422 10.6422 10.7252 10.7252 10.7252 10.7252 14.7920 14.7920 14.7920 14.7920 15.4449 15.4449 15.4449 15.4449 k = 0.5000 0.5000 0.0112 ( 3796 PWs) bands (ev): -41.7349 -41.7349 -41.7349 -41.7349 -19.4854 -19.4854 -19.4854 -19.4854 -17.4638 -17.4638 -17.4638 -17.4638 -17.4021 -17.4021 -17.4021 -17.4021 2.6882 2.6882 2.6882 2.6882 3.9021 3.9021 3.9021 3.9021 6.5461 6.5461 6.5461 6.5461 8.6966 8.6966 8.6966 8.6966 9.8924 9.8924 9.8924 9.8924 10.6457 10.6457 10.6457 10.6457 10.7256 10.7256 10.7256 10.7256 14.7920 14.7920 14.7920 14.7920 15.4403 15.4403 15.4403 15.4403 k = 0.5000 0.5000 0.0223 ( 3788 PWs) bands (ev): -41.7348 -41.7348 -41.7348 -41.7348 -19.4854 -19.4854 -19.4854 -19.4854 -17.4638 -17.4638 -17.4638 -17.4638 -17.4021 -17.4021 -17.4021 -17.4021 2.6888 2.6888 2.6888 2.6888 3.9021 3.9021 3.9021 3.9021 6.5421 6.5421 6.5421 6.5421 8.6958 8.6958 8.6958 8.6958 9.8938 9.8938 9.8938 9.8938 10.6557 10.6557 10.6557 10.6557 10.7274 10.7274 10.7274 10.7274 14.7920 14.7920 14.7920 14.7920 15.4266 15.4266 15.4266 15.4266 k = 0.5000 0.5000 0.0335 ( 3788 PWs) bands (ev): -41.7348 -41.7348 -41.7348 -41.7348 -19.4854 -19.4854 -19.4854 -19.4854 -17.4638 -17.4638 -17.4638 -17.4638 -17.4021 -17.4021 -17.4021 -17.4021 2.6897 2.6897 2.6897 2.6897 3.9022 3.9022 3.9022 3.9022 6.5356 6.5356 6.5356 6.5356 8.6944 8.6944 8.6944 8.6944 9.8960 9.8960 9.8960 9.8960 10.6706 10.6706 10.6706 10.6706 10.7318 10.7318 10.7318 10.7318 14.7920 14.7920 14.7920 14.7920 15.4035 15.4035 15.4035 15.4035 k = 0.5000 0.5000 0.0447 ( 3788 PWs) bands (ev): -41.7348 -41.7348 -41.7348 -41.7348 -19.4854 -19.4854 -19.4854 -19.4854 -17.4638 -17.4638 -17.4638 -17.4638 -17.4021 -17.4021 -17.4021 -17.4021 2.6909 2.6909 2.6909 2.6909 3.9023 3.9023 3.9023 3.9023 6.5268 6.5268 6.5268 6.5268 8.6925 8.6925 8.6925 8.6925 9.8991 9.8991 9.8991 9.8991 10.6862 10.6862 10.6862 10.6862 10.7427 10.7427 10.7427 10.7427 14.7920 14.7920 14.7920 14.7920 15.3712 15.3712 15.3712 15.3712 k = 0.5000 0.5000 0.0559 ( 3788 PWs) bands (ev): -41.7348 -41.7348 -41.7348 -41.7348 -19.4854 -19.4854 -19.4854 -19.4854 -17.4638 -17.4638 -17.4638 -17.4638 -17.4021 -17.4021 -17.4021 -17.4021 2.6924 2.6924 2.6924 2.6924 3.9024 3.9024 3.9024 3.9024 6.5159 6.5159 6.5159 6.5159 8.6902 8.6902 8.6902 8.6902 9.9030 9.9030 9.9030 9.9030 10.6968 10.6968 10.6968 10.6968 10.7654 10.7654 10.7654 10.7654 14.7919 14.7919 14.7919 14.7919 15.3297 15.3297 15.3297 15.3297 k = 0.5000 0.5000 0.0670 ( 3792 PWs) bands (ev): -41.7348 -41.7348 -41.7348 -41.7348 -19.4854 -19.4854 -19.4854 -19.4854 -17.4638 -17.4638 -17.4638 -17.4638 -17.4021 -17.4021 -17.4021 -17.4021 2.6941 2.6941 2.6941 2.6941 3.9025 3.9025 3.9025 3.9025 6.5033 6.5033 6.5033 6.5033 8.6875 8.6875 8.6875 8.6875 9.9075 9.9075 9.9075 9.9075 10.7015 10.7015 10.7015 10.7015 10.8002 10.8002 10.8002 10.8002 14.7918 14.7918 14.7918 14.7918 15.2793 15.2793 15.2793 15.2793 k = 0.5000 0.5000 0.0782 ( 3800 PWs) bands (ev): -41.7349 -41.7349 -41.7349 -41.7349 -19.4854 -19.4854 -19.4854 -19.4854 -17.4638 -17.4638 -17.4638 -17.4638 -17.4021 -17.4021 -17.4021 -17.4021 2.6961 2.6961 2.6961 2.6961 3.9027 3.9027 3.9027 3.9027 6.4893 6.4893 6.4893 6.4893 8.6845 8.6845 8.6845 8.6845 9.9126 9.9126 9.9126 9.9126 10.7032 10.7032 10.7032 10.7032 10.8437 10.8437 10.8437 10.8437 14.7916 14.7916 14.7916 14.7916 15.2206 15.2206 15.2206 15.2206 k = 0.5000 0.5000 0.0894 ( 3784 PWs) bands (ev): -41.7348 -41.7348 -41.7348 -41.7348 -19.4854 -19.4854 -19.4854 -19.4854 -17.4638 -17.4638 -17.4638 -17.4638 -17.4021 -17.4021 -17.4021 -17.4021 2.6983 2.6983 2.6983 2.6983 3.9028 3.9028 3.9028 3.9028 6.4742 6.4742 6.4742 6.4742 8.6812 8.6812 8.6812 8.6812 9.9181 9.9181 9.9181 9.9181 10.7034 10.7034 10.7034 10.7034 10.8933 10.8933 10.8933 10.8933 14.7914 14.7914 14.7914 14.7914 15.1546 15.1546 15.1546 15.1546 k = 0.5000 0.5000 0.1005 ( 3768 PWs) bands (ev): -41.7346 -41.7346 -41.7346 -41.7346 -19.4854 -19.4854 -19.4854 -19.4854 -17.4638 -17.4638 -17.4638 -17.4638 -17.4021 -17.4021 -17.4021 -17.4021 2.7005 2.7005 2.7005 2.7005 3.9030 3.9030 3.9030 3.9030 6.4586 6.4586 6.4586 6.4586 8.6778 8.6778 8.6778 8.6778 9.9239 9.9239 9.9239 9.9239 10.7029 10.7029 10.7029 10.7029 10.9474 10.9474 10.9474 10.9474 14.7910 14.7910 14.7910 14.7910 15.0827 15.0827 15.0827 15.0827 k = 0.5000 0.5000 0.1117 ( 3768 PWs) bands (ev): -41.7346 -41.7346 -41.7346 -41.7346 -19.4854 -19.4854 -19.4854 -19.4854 -17.4637 -17.4637 -17.4637 -17.4637 -17.4021 -17.4021 -17.4021 -17.4021 2.7029 2.7029 2.7029 2.7029 3.9032 3.9032 3.9032 3.9032 6.4427 6.4427 6.4427 6.4427 8.6743 8.6743 8.6743 8.6743 9.9298 9.9298 9.9298 9.9298 10.7020 10.7020 10.7020 10.7020 11.0046 11.0046 11.0046 11.0046 14.7903 14.7903 14.7903 14.7903 15.0065 15.0065 15.0065 15.0065 k = 0.5000 0.5000 0.1229 ( 3768 PWs) bands (ev): -41.7346 -41.7346 -41.7346 -41.7346 -19.4854 -19.4854 -19.4854 -19.4854 -17.4637 -17.4637 -17.4637 -17.4637 -17.4021 -17.4021 -17.4021 -17.4021 2.7052 2.7052 2.7052 2.7052 3.9033 3.9033 3.9033 3.9033 6.4270 6.4270 6.4270 6.4270 8.6709 8.6709 8.6709 8.6709 9.9358 9.9358 9.9358 9.9358 10.7009 10.7009 10.7009 10.7009 11.0636 11.0636 11.0636 11.0636 14.7888 14.7888 14.7888 14.7888 14.9285 14.9285 14.9285 14.9285 k = 0.5000 0.5000 0.1341 ( 3776 PWs) bands (ev): -41.7347 -41.7347 -41.7347 -41.7347 -19.4854 -19.4854 -19.4854 -19.4854 -17.4637 -17.4637 -17.4637 -17.4637 -17.4021 -17.4021 -17.4021 -17.4021 2.7075 2.7075 2.7075 2.7075 3.9035 3.9035 3.9035 3.9035 6.4118 6.4118 6.4118 6.4118 8.6675 8.6675 8.6675 8.6675 9.9415 9.9415 9.9415 9.9415 10.6997 10.6997 10.6997 10.6997 11.1231 11.1231 11.1231 11.1231 14.7836 14.7836 14.7836 14.7836 14.8536 14.8536 14.8536 14.8536 k = 0.5000 0.5000 0.1452 ( 3772 PWs) bands (ev): -41.7347 -41.7347 -41.7347 -41.7347 -19.4854 -19.4854 -19.4854 -19.4854 -17.4637 -17.4637 -17.4637 -17.4637 -17.4021 -17.4021 -17.4021 -17.4021 2.7097 2.7097 2.7097 2.7097 3.9037 3.9037 3.9037 3.9037 6.3976 6.3976 6.3976 6.3976 8.6644 8.6644 8.6644 8.6644 9.9471 9.9471 9.9471 9.9471 10.6984 10.6984 10.6984 10.6984 11.1814 11.1814 11.1814 11.1814 14.7520 14.7520 14.7520 14.7520 14.8069 14.8069 14.8069 14.8069 k = 0.5000 0.5000 0.1564 ( 3772 PWs) bands (ev): -41.7347 -41.7347 -41.7347 -41.7347 -19.4854 -19.4854 -19.4854 -19.4854 -17.4637 -17.4637 -17.4637 -17.4637 -17.4021 -17.4021 -17.4021 -17.4021 2.7117 2.7117 2.7117 2.7117 3.9038 3.9038 3.9038 3.9038 6.3845 6.3845 6.3845 6.3845 8.6615 8.6615 8.6615 8.6615 9.9521 9.9521 9.9521 9.9521 10.6972 10.6972 10.6972 10.6972 11.2370 11.2370 11.2370 11.2370 14.6861 14.6861 14.6861 14.6861 14.7983 14.7983 14.7983 14.7983 k = 0.5000 0.5000 0.1676 ( 3780 PWs) bands (ev): -41.7347 -41.7347 -41.7347 -41.7347 -19.4854 -19.4854 -19.4854 -19.4854 -17.4637 -17.4637 -17.4637 -17.4637 -17.4021 -17.4021 -17.4021 -17.4021 2.7135 2.7135 2.7135 2.7135 3.9039 3.9039 3.9039 3.9039 6.3730 6.3730 6.3730 6.3730 8.6589 8.6589 8.6589 8.6589 9.9567 9.9567 9.9567 9.9567 10.6961 10.6961 10.6961 10.6961 11.2882 11.2882 11.2882 11.2882 14.6200 14.6200 14.6200 14.6200 14.7963 14.7963 14.7963 14.7963 k = 0.5000 0.5000 0.1787 ( 3788 PWs) bands (ev): -41.7348 -41.7348 -41.7348 -41.7348 -19.4854 -19.4854 -19.4854 -19.4854 -17.4637 -17.4637 -17.4637 -17.4637 -17.4021 -17.4021 -17.4021 -17.4021 2.7151 2.7151 2.7151 2.7151 3.9040 3.9040 3.9040 3.9040 6.3632 6.3632 6.3632 6.3632 8.6567 8.6567 8.6567 8.6567 9.9606 9.9606 9.9606 9.9606 10.6951 10.6951 10.6951 10.6951 11.3332 11.3332 11.3332 11.3332 14.5612 14.5612 14.5612 14.5612 14.7954 14.7954 14.7954 14.7954 k = 0.5000 0.5000 0.1899 ( 3788 PWs) bands (ev): -41.7348 -41.7348 -41.7348 -41.7348 -19.4854 -19.4854 -19.4854 -19.4854 -17.4637 -17.4637 -17.4637 -17.4637 -17.4021 -17.4021 -17.4021 -17.4021 2.7163 2.7163 2.7163 2.7163 3.9041 3.9041 3.9041 3.9041 6.3553 6.3553 6.3553 6.3553 8.6550 8.6550 8.6550 8.6550 9.9637 9.9637 9.9637 9.9637 10.6943 10.6943 10.6943 10.6943 11.3704 11.3704 11.3704 11.3704 14.5126 14.5126 14.5126 14.5126 14.7950 14.7950 14.7950 14.7950 k = 0.5000 0.5000 0.2011 ( 3824 PWs) bands (ev): -41.7351 -41.7351 -41.7351 -41.7351 -19.4855 -19.4855 -19.4855 -19.4855 -17.4638 -17.4638 -17.4638 -17.4638 -17.4021 -17.4021 -17.4021 -17.4021 2.7172 2.7172 2.7172 2.7172 3.9042 3.9042 3.9042 3.9042 6.3496 6.3496 6.3496 6.3496 8.6537 8.6537 8.6537 8.6537 9.9659 9.9659 9.9659 9.9659 10.6937 10.6937 10.6937 10.6937 11.3983 11.3983 11.3983 11.3983 14.4763 14.4763 14.4763 14.4763 14.7948 14.7948 14.7948 14.7948 k = 0.5000 0.5000 0.2123 ( 3828 PWs) bands (ev): -41.7351 -41.7351 -41.7351 -41.7351 -19.4855 -19.4855 -19.4855 -19.4855 -17.4638 -17.4638 -17.4638 -17.4638 -17.4021 -17.4021 -17.4021 -17.4021 2.7178 2.7178 2.7178 2.7178 3.9042 3.9042 3.9042 3.9042 6.3461 6.3461 6.3461 6.3461 8.6529 8.6529 8.6529 8.6529 9.9673 9.9673 9.9673 9.9673 10.6933 10.6933 10.6933 10.6933 11.4155 11.4155 11.4155 11.4155 14.4539 14.4539 14.4539 14.4539 14.7946 14.7946 14.7946 14.7946 k = 0.5000 0.5000 0.2234 ( 3816 PWs) bands (ev): -41.7350 -41.7350 -41.7350 -41.7350 -19.4854 -19.4854 -19.4854 -19.4854 -17.4638 -17.4638 -17.4638 -17.4638 -17.4021 -17.4021 -17.4021 -17.4021 2.7180 2.7180 2.7180 2.7180 3.9043 3.9043 3.9043 3.9043 6.3450 6.3450 6.3450 6.3450 8.6526 8.6526 8.6526 8.6526 9.9678 9.9678 9.9678 9.9678 10.6932 10.6932 10.6932 10.6932 11.4214 11.4214 11.4214 11.4214 14.4463 14.4463 14.4463 14.4463 14.7946 14.7946 14.7946 14.7946 Writing output data file NbGeAs.save init_run : 0.18s CPU 0.32s WALL ( 1 calls) electrons : 124.76s CPU 127.18s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 124.75s CPU 127.17s 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 : 0.04s CPU 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.06s WALL ( 375 calls) cegterg : 110.12s CPU 111.86s WALL ( 424 calls) Called by sum_band: Called by *egterg: h_psi : 58.50s CPU 60.31s WALL ( 6941 calls) s_psi : 3.84s CPU 3.83s WALL ( 6941 calls) g_psi : 0.21s CPU 0.21s WALL ( 6142 calls) cdiaghg : 44.89s CPU 44.75s WALL ( 6517 calls) cegterg:over : 5.18s CPU 5.22s WALL ( 6142 calls) cegterg:upda : 3.70s CPU 4.00s WALL ( 6142 calls) cegterg:last : 2.44s CPU 2.58s WALL ( 1174 calls) cdiaghg:chol : 2.37s CPU 2.52s WALL ( 6517 calls) cdiaghg:inve : 1.53s CPU 1.64s WALL ( 6517 calls) cdiaghg:para : 2.59s CPU 2.62s WALL ( 13034 calls) Called by h_psi: h_psi:vloc : 48.97s CPU 50.53s WALL ( 6941 calls) h_psi:vnl : 9.34s CPU 9.57s WALL ( 6941 calls) add_vuspsi : 4.58s CPU 4.63s WALL ( 6941 calls) General routines calbec : 4.76s CPU 4.92s WALL ( 6941 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 45.93s CPU 47.42s WALL ( 805452 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.22s CPU 0.22s WALL ( 750 calls) Parallel routines fft_scatter : 19.88s CPU 20.45s WALL ( 805475 calls) PWSCF : 2m22.10s CPU 2m35.71s WALL This run was terminated on: 13: 9:10 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=