Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 13:55:33 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: ./BaBrF.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S renormalized file F.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized file Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 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 50 32 9 2698 1342 211 Max 51 33 10 2703 1364 220 Sum 1829 1153 341 97219 48687 7687 bravais-lattice index = 14 lattice parameter (alat) = 8.5189 a.u. unit-cell volume = 1020.4592 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 317.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.518885 celldm(2)= 1.000000 celldm(3)= 1.650621 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.650621 ) 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 0.605833 ) PseudoPot. # 1 for Ba read from file: /users/gautes/Pseudo/Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3006f3397849ee49953ff32be8e81b23 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1251 points, 11 beta functions with: l(1) = 0 l(2) = 0 l(3) = 0 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 1 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for F read from file: /users/gautes/Pseudo/F.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: ce20c52fa94def3fe434d52ed9f7ea44 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1105 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 Br read from file: /users/gautes/Pseudo/Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5d639767687de88634f0d235e6526498 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1213 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 atomic species valence mass pseudopotential Ba 10.00 137.32700 Ba( 1.00) F 7.00 18.99840 F( 1.00) Br 7.00 79.90400 Br( 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= 315 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031746 k( 2) = ( 0.0000000 0.0142857 -0.0000000), wk = 0.0031746 k( 3) = ( 0.0000000 0.0285714 -0.0000000), wk = 0.0031746 k( 4) = ( 0.0000000 0.0428571 -0.0000000), wk = 0.0031746 k( 5) = ( 0.0000000 0.0571429 -0.0000000), wk = 0.0031746 k( 6) = ( 0.0000000 0.0714286 -0.0000000), wk = 0.0031746 k( 7) = ( 0.0000000 0.0857143 -0.0000000), wk = 0.0031746 k( 8) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0031746 k( 9) = ( 0.0000000 0.1142857 -0.0000000), wk = 0.0031746 k( 10) = ( 0.0000000 0.1285714 -0.0000000), wk = 0.0031746 k( 11) = ( 0.0000000 0.1428571 -0.0000000), wk = 0.0031746 k( 12) = ( 0.0000000 0.1571429 -0.0000000), wk = 0.0031746 k( 13) = ( 0.0000000 0.1714286 -0.0000000), wk = 0.0031746 k( 14) = ( 0.0000000 0.1857143 -0.0000000), wk = 0.0031746 k( 15) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0031746 k( 16) = ( 0.0000000 0.2142857 -0.0000000), wk = 0.0031746 k( 17) = ( 0.0000000 0.2285714 -0.0000000), wk = 0.0031746 k( 18) = ( 0.0000000 0.2428571 -0.0000000), wk = 0.0031746 k( 19) = ( 0.0000000 0.2571429 -0.0000000), wk = 0.0031746 k( 20) = ( 0.0000000 0.2714286 -0.0000000), wk = 0.0031746 k( 21) = ( 0.0000000 0.2857143 -0.0000000), wk = 0.0031746 k( 22) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0031746 k( 23) = ( 0.0000000 0.3142857 -0.0000000), wk = 0.0031746 k( 24) = ( 0.0000000 0.3285714 -0.0000000), wk = 0.0031746 k( 25) = ( 0.0000000 0.3428571 -0.0000000), wk = 0.0031746 k( 26) = ( 0.0000000 0.3571429 -0.0000000), wk = 0.0031746 k( 27) = ( 0.0000000 0.3714286 -0.0000000), wk = 0.0031746 k( 28) = ( 0.0000000 0.3857143 -0.0000000), wk = 0.0031746 k( 29) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0031746 k( 30) = ( 0.0000000 0.4142857 -0.0000000), wk = 0.0031746 k( 31) = ( 0.0000000 0.4285714 -0.0000000), wk = 0.0031746 k( 32) = ( 0.0000000 0.4428571 -0.0000000), wk = 0.0031746 k( 33) = ( 0.0000000 0.4571429 -0.0000000), wk = 0.0031746 k( 34) = ( 0.0000000 0.4714286 -0.0000000), wk = 0.0031746 k( 35) = ( 0.0000000 0.4857143 -0.0000000), wk = 0.0031746 k( 36) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031746 k( 37) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031746 k( 38) = ( 0.0142857 0.5000000 -0.0000000), wk = 0.0031746 k( 39) = ( 0.0285714 0.5000000 -0.0000000), wk = 0.0031746 k( 40) = ( 0.0428571 0.5000000 -0.0000000), wk = 0.0031746 k( 41) = ( 0.0571429 0.5000000 -0.0000000), wk = 0.0031746 k( 42) = ( 0.0714286 0.5000000 -0.0000000), wk = 0.0031746 k( 43) = ( 0.0857143 0.5000000 -0.0000000), wk = 0.0031746 k( 44) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0031746 k( 45) = ( 0.1142857 0.5000000 -0.0000000), wk = 0.0031746 k( 46) = ( 0.1285714 0.5000000 -0.0000000), wk = 0.0031746 k( 47) = ( 0.1428571 0.5000000 -0.0000000), wk = 0.0031746 k( 48) = ( 0.1571429 0.5000000 -0.0000000), wk = 0.0031746 k( 49) = ( 0.1714286 0.5000000 -0.0000000), wk = 0.0031746 k( 50) = ( 0.1857143 0.5000000 -0.0000000), wk = 0.0031746 k( 51) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0031746 k( 52) = ( 0.2142857 0.5000000 -0.0000000), wk = 0.0031746 k( 53) = ( 0.2285714 0.5000000 -0.0000000), wk = 0.0031746 k( 54) = ( 0.2428571 0.5000000 -0.0000000), wk = 0.0031746 k( 55) = ( 0.2571429 0.5000000 -0.0000000), wk = 0.0031746 k( 56) = ( 0.2714286 0.5000000 -0.0000000), wk = 0.0031746 k( 57) = ( 0.2857143 0.5000000 -0.0000000), wk = 0.0031746 k( 58) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0031746 k( 59) = ( 0.3142857 0.5000000 -0.0000000), wk = 0.0031746 k( 60) = ( 0.3285714 0.5000000 -0.0000000), wk = 0.0031746 k( 61) = ( 0.3428571 0.5000000 -0.0000000), wk = 0.0031746 k( 62) = ( 0.3571429 0.5000000 -0.0000000), wk = 0.0031746 k( 63) = ( 0.3714286 0.5000000 -0.0000000), wk = 0.0031746 k( 64) = ( 0.3857143 0.5000000 -0.0000000), wk = 0.0031746 k( 65) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0031746 k( 66) = ( 0.4142857 0.5000000 -0.0000000), wk = 0.0031746 k( 67) = ( 0.4285714 0.5000000 -0.0000000), wk = 0.0031746 k( 68) = ( 0.4428571 0.5000000 -0.0000000), wk = 0.0031746 k( 69) = ( 0.4571429 0.5000000 -0.0000000), wk = 0.0031746 k( 70) = ( 0.4714286 0.5000000 -0.0000000), wk = 0.0031746 k( 71) = ( 0.4857143 0.5000000 -0.0000000), wk = 0.0031746 k( 72) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031746 k( 73) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031746 k( 74) = ( 0.4900000 0.4900000 -0.0000000), wk = 0.0031746 k( 75) = ( 0.4800000 0.4800000 -0.0000000), wk = 0.0031746 k( 76) = ( 0.4700000 0.4700000 -0.0000000), wk = 0.0031746 k( 77) = ( 0.4600000 0.4600000 -0.0000000), wk = 0.0031746 k( 78) = ( 0.4500000 0.4500000 -0.0000000), wk = 0.0031746 k( 79) = ( 0.4400000 0.4400000 -0.0000000), wk = 0.0031746 k( 80) = ( 0.4300000 0.4300000 -0.0000000), wk = 0.0031746 k( 81) = ( 0.4200000 0.4200000 -0.0000000), wk = 0.0031746 k( 82) = ( 0.4100000 0.4100000 -0.0000000), wk = 0.0031746 k( 83) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0031746 k( 84) = ( 0.3900000 0.3900000 -0.0000000), wk = 0.0031746 k( 85) = ( 0.3800000 0.3800000 -0.0000000), wk = 0.0031746 k( 86) = ( 0.3700000 0.3700000 -0.0000000), wk = 0.0031746 k( 87) = ( 0.3600000 0.3600000 -0.0000000), wk = 0.0031746 k( 88) = ( 0.3500000 0.3500000 -0.0000000), wk = 0.0031746 k( 89) = ( 0.3400000 0.3400000 -0.0000000), wk = 0.0031746 k( 90) = ( 0.3300000 0.3300000 -0.0000000), wk = 0.0031746 k( 91) = ( 0.3200000 0.3200000 -0.0000000), wk = 0.0031746 k( 92) = ( 0.3100000 0.3100000 -0.0000000), wk = 0.0031746 k( 93) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0031746 k( 94) = ( 0.2900000 0.2900000 -0.0000000), wk = 0.0031746 k( 95) = ( 0.2800000 0.2800000 -0.0000000), wk = 0.0031746 k( 96) = ( 0.2700000 0.2700000 -0.0000000), wk = 0.0031746 k( 97) = ( 0.2600000 0.2600000 -0.0000000), wk = 0.0031746 k( 98) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0031746 k( 99) = ( 0.2400000 0.2400000 -0.0000000), wk = 0.0031746 k( 100) = ( 0.2300000 0.2300000 -0.0000000), wk = 0.0031746 k( 101) = ( 0.2200000 0.2200000 -0.0000000), wk = 0.0031746 k( 102) = ( 0.2100000 0.2100000 -0.0000000), wk = 0.0031746 k( 103) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0031746 k( 104) = ( 0.1900000 0.1900000 -0.0000000), wk = 0.0031746 k( 105) = ( 0.1800000 0.1800000 -0.0000000), wk = 0.0031746 k( 106) = ( 0.1700000 0.1700000 -0.0000000), wk = 0.0031746 k( 107) = ( 0.1600000 0.1600000 -0.0000000), wk = 0.0031746 k( 108) = ( 0.1500000 0.1500000 -0.0000000), wk = 0.0031746 k( 109) = ( 0.1400000 0.1400000 -0.0000000), wk = 0.0031746 k( 110) = ( 0.1300000 0.1300000 -0.0000000), wk = 0.0031746 k( 111) = ( 0.1200000 0.1200000 -0.0000000), wk = 0.0031746 k( 112) = ( 0.1100000 0.1100000 -0.0000000), wk = 0.0031746 k( 113) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0031746 k( 114) = ( 0.0900000 0.0900000 -0.0000000), wk = 0.0031746 k( 115) = ( 0.0800000 0.0800000 -0.0000000), wk = 0.0031746 k( 116) = ( 0.0700000 0.0700000 -0.0000000), wk = 0.0031746 k( 117) = ( 0.0600000 0.0600000 -0.0000000), wk = 0.0031746 k( 118) = ( 0.0500000 0.0500000 -0.0000000), wk = 0.0031746 k( 119) = ( 0.0400000 0.0400000 -0.0000000), wk = 0.0031746 k( 120) = ( 0.0300000 0.0300000 -0.0000000), wk = 0.0031746 k( 121) = ( 0.0200000 0.0200000 -0.0000000), wk = 0.0031746 k( 122) = ( 0.0100000 0.0100000 -0.0000000), wk = 0.0031746 k( 123) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031746 k( 124) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031746 k( 125) = ( 0.0000000 0.0000000 0.0137689), wk = 0.0031746 k( 126) = ( 0.0000000 0.0000000 0.0275378), wk = 0.0031746 k( 127) = ( 0.0000000 0.0000000 0.0413068), wk = 0.0031746 k( 128) = ( 0.0000000 0.0000000 0.0550757), wk = 0.0031746 k( 129) = ( 0.0000000 0.0000000 0.0688446), wk = 0.0031746 k( 130) = ( 0.0000000 0.0000000 0.0826135), wk = 0.0031746 k( 131) = ( 0.0000000 0.0000000 0.0963825), wk = 0.0031746 k( 132) = ( 0.0000000 0.0000000 0.1101514), wk = 0.0031746 k( 133) = ( 0.0000000 0.0000000 0.1239203), wk = 0.0031746 k( 134) = ( 0.0000000 0.0000000 0.1376892), wk = 0.0031746 k( 135) = ( 0.0000000 0.0000000 0.1514581), wk = 0.0031746 k( 136) = ( 0.0000000 0.0000000 0.1652271), wk = 0.0031746 k( 137) = ( 0.0000000 0.0000000 0.1789960), wk = 0.0031746 k( 138) = ( 0.0000000 0.0000000 0.1927649), wk = 0.0031746 k( 139) = ( 0.0000000 0.0000000 0.2065338), wk = 0.0031746 k( 140) = ( 0.0000000 0.0000000 0.2203027), wk = 0.0031746 k( 141) = ( 0.0000000 0.0000000 0.2340717), wk = 0.0031746 k( 142) = ( 0.0000000 0.0000000 0.2478406), wk = 0.0031746 k( 143) = ( 0.0000000 0.0000000 0.2616095), wk = 0.0031746 k( 144) = ( 0.0000000 0.0000000 0.2753784), wk = 0.0031746 k( 145) = ( 0.0000000 0.0000000 0.2891474), wk = 0.0031746 k( 146) = ( 0.0000000 0.0000000 0.3029163), wk = 0.0031746 k( 147) = ( 0.0000000 0.0000000 0.3029163), wk = 0.0031746 k( 148) = ( 0.0000000 0.0142857 0.3029163), wk = 0.0031746 k( 149) = ( 0.0000000 0.0285714 0.3029163), wk = 0.0031746 k( 150) = ( 0.0000000 0.0428571 0.3029163), wk = 0.0031746 k( 151) = ( 0.0000000 0.0571429 0.3029163), wk = 0.0031746 k( 152) = ( 0.0000000 0.0714286 0.3029163), wk = 0.0031746 k( 153) = ( 0.0000000 0.0857143 0.3029163), wk = 0.0031746 k( 154) = ( 0.0000000 0.1000000 0.3029163), wk = 0.0031746 k( 155) = ( 0.0000000 0.1142857 0.3029163), wk = 0.0031746 k( 156) = ( 0.0000000 0.1285714 0.3029163), wk = 0.0031746 k( 157) = ( 0.0000000 0.1428571 0.3029163), wk = 0.0031746 k( 158) = ( 0.0000000 0.1571429 0.3029163), wk = 0.0031746 k( 159) = ( 0.0000000 0.1714286 0.3029163), wk = 0.0031746 k( 160) = ( 0.0000000 0.1857143 0.3029163), wk = 0.0031746 k( 161) = ( 0.0000000 0.2000000 0.3029163), wk = 0.0031746 k( 162) = ( 0.0000000 0.2142857 0.3029163), wk = 0.0031746 k( 163) = ( 0.0000000 0.2285714 0.3029163), wk = 0.0031746 k( 164) = ( 0.0000000 0.2428571 0.3029163), wk = 0.0031746 k( 165) = ( 0.0000000 0.2571429 0.3029163), wk = 0.0031746 k( 166) = ( 0.0000000 0.2714286 0.3029163), wk = 0.0031746 k( 167) = ( 0.0000000 0.2857143 0.3029163), wk = 0.0031746 k( 168) = ( 0.0000000 0.3000000 0.3029163), wk = 0.0031746 k( 169) = ( 0.0000000 0.3142857 0.3029163), wk = 0.0031746 k( 170) = ( 0.0000000 0.3285714 0.3029163), wk = 0.0031746 k( 171) = ( 0.0000000 0.3428571 0.3029163), wk = 0.0031746 k( 172) = ( 0.0000000 0.3571429 0.3029163), wk = 0.0031746 k( 173) = ( 0.0000000 0.3714286 0.3029163), wk = 0.0031746 k( 174) = ( 0.0000000 0.3857143 0.3029163), wk = 0.0031746 k( 175) = ( 0.0000000 0.4000000 0.3029163), wk = 0.0031746 k( 176) = ( 0.0000000 0.4142857 0.3029163), wk = 0.0031746 k( 177) = ( 0.0000000 0.4285714 0.3029163), wk = 0.0031746 k( 178) = ( 0.0000000 0.4428571 0.3029163), wk = 0.0031746 k( 179) = ( 0.0000000 0.4571429 0.3029163), wk = 0.0031746 k( 180) = ( 0.0000000 0.4714286 0.3029163), wk = 0.0031746 k( 181) = ( 0.0000000 0.4857143 0.3029163), wk = 0.0031746 k( 182) = ( 0.0000000 0.5000000 0.3029163), wk = 0.0031746 k( 183) = ( 0.0000000 0.5000000 0.3029163), wk = 0.0031746 k( 184) = ( 0.0142857 0.5000000 0.3029163), wk = 0.0031746 k( 185) = ( 0.0285714 0.5000000 0.3029163), wk = 0.0031746 k( 186) = ( 0.0428571 0.5000000 0.3029163), wk = 0.0031746 k( 187) = ( 0.0571429 0.5000000 0.3029163), wk = 0.0031746 k( 188) = ( 0.0714286 0.5000000 0.3029163), wk = 0.0031746 k( 189) = ( 0.0857143 0.5000000 0.3029163), wk = 0.0031746 k( 190) = ( 0.1000000 0.5000000 0.3029163), wk = 0.0031746 k( 191) = ( 0.1142857 0.5000000 0.3029163), wk = 0.0031746 k( 192) = ( 0.1285714 0.5000000 0.3029163), wk = 0.0031746 k( 193) = ( 0.1428571 0.5000000 0.3029163), wk = 0.0031746 k( 194) = ( 0.1571429 0.5000000 0.3029163), wk = 0.0031746 k( 195) = ( 0.1714286 0.5000000 0.3029163), wk = 0.0031746 k( 196) = ( 0.1857143 0.5000000 0.3029163), wk = 0.0031746 k( 197) = ( 0.2000000 0.5000000 0.3029163), wk = 0.0031746 k( 198) = ( 0.2142857 0.5000000 0.3029163), wk = 0.0031746 k( 199) = ( 0.2285714 0.5000000 0.3029163), wk = 0.0031746 k( 200) = ( 0.2428571 0.5000000 0.3029163), wk = 0.0031746 k( 201) = ( 0.2571429 0.5000000 0.3029163), wk = 0.0031746 k( 202) = ( 0.2714286 0.5000000 0.3029163), wk = 0.0031746 k( 203) = ( 0.2857143 0.5000000 0.3029163), wk = 0.0031746 k( 204) = ( 0.3000000 0.5000000 0.3029163), wk = 0.0031746 k( 205) = ( 0.3142857 0.5000000 0.3029163), wk = 0.0031746 k( 206) = ( 0.3285714 0.5000000 0.3029163), wk = 0.0031746 k( 207) = ( 0.3428571 0.5000000 0.3029163), wk = 0.0031746 k( 208) = ( 0.3571429 0.5000000 0.3029163), wk = 0.0031746 k( 209) = ( 0.3714286 0.5000000 0.3029163), wk = 0.0031746 k( 210) = ( 0.3857143 0.5000000 0.3029163), wk = 0.0031746 k( 211) = ( 0.4000000 0.5000000 0.3029163), wk = 0.0031746 k( 212) = ( 0.4142857 0.5000000 0.3029163), wk = 0.0031746 k( 213) = ( 0.4285714 0.5000000 0.3029163), wk = 0.0031746 k( 214) = ( 0.4428571 0.5000000 0.3029163), wk = 0.0031746 k( 215) = ( 0.4571429 0.5000000 0.3029163), wk = 0.0031746 k( 216) = ( 0.4714286 0.5000000 0.3029163), wk = 0.0031746 k( 217) = ( 0.4857143 0.5000000 0.3029163), wk = 0.0031746 k( 218) = ( 0.5000000 0.5000000 0.3029163), wk = 0.0031746 k( 219) = ( 0.5000000 0.5000000 0.3029163), wk = 0.0031746 k( 220) = ( 0.4900000 0.4900000 0.3029163), wk = 0.0031746 k( 221) = ( 0.4800000 0.4800000 0.3029163), wk = 0.0031746 k( 222) = ( 0.4700000 0.4700000 0.3029163), wk = 0.0031746 k( 223) = ( 0.4600000 0.4600000 0.3029163), wk = 0.0031746 k( 224) = ( 0.4500000 0.4500000 0.3029163), wk = 0.0031746 k( 225) = ( 0.4400000 0.4400000 0.3029163), wk = 0.0031746 k( 226) = ( 0.4300000 0.4300000 0.3029163), wk = 0.0031746 k( 227) = ( 0.4200000 0.4200000 0.3029163), wk = 0.0031746 k( 228) = ( 0.4100000 0.4100000 0.3029163), wk = 0.0031746 k( 229) = ( 0.4000000 0.4000000 0.3029163), wk = 0.0031746 k( 230) = ( 0.3900000 0.3900000 0.3029163), wk = 0.0031746 k( 231) = ( 0.3800000 0.3800000 0.3029163), wk = 0.0031746 k( 232) = ( 0.3700000 0.3700000 0.3029163), wk = 0.0031746 k( 233) = ( 0.3600000 0.3600000 0.3029163), wk = 0.0031746 k( 234) = ( 0.3500000 0.3500000 0.3029163), wk = 0.0031746 k( 235) = ( 0.3400000 0.3400000 0.3029163), wk = 0.0031746 k( 236) = ( 0.3300000 0.3300000 0.3029163), wk = 0.0031746 k( 237) = ( 0.3200000 0.3200000 0.3029163), wk = 0.0031746 k( 238) = ( 0.3100000 0.3100000 0.3029163), wk = 0.0031746 k( 239) = ( 0.3000000 0.3000000 0.3029163), wk = 0.0031746 k( 240) = ( 0.2900000 0.2900000 0.3029163), wk = 0.0031746 k( 241) = ( 0.2800000 0.2800000 0.3029163), wk = 0.0031746 k( 242) = ( 0.2700000 0.2700000 0.3029163), wk = 0.0031746 k( 243) = ( 0.2600000 0.2600000 0.3029163), wk = 0.0031746 k( 244) = ( 0.2500000 0.2500000 0.3029163), wk = 0.0031746 k( 245) = ( 0.2400000 0.2400000 0.3029163), wk = 0.0031746 k( 246) = ( 0.2300000 0.2300000 0.3029163), wk = 0.0031746 k( 247) = ( 0.2200000 0.2200000 0.3029163), wk = 0.0031746 k( 248) = ( 0.2100000 0.2100000 0.3029163), wk = 0.0031746 k( 249) = ( 0.2000000 0.2000000 0.3029163), wk = 0.0031746 k( 250) = ( 0.1900000 0.1900000 0.3029163), wk = 0.0031746 k( 251) = ( 0.1800000 0.1800000 0.3029163), wk = 0.0031746 k( 252) = ( 0.1700000 0.1700000 0.3029163), wk = 0.0031746 k( 253) = ( 0.1600000 0.1600000 0.3029163), wk = 0.0031746 k( 254) = ( 0.1500000 0.1500000 0.3029163), wk = 0.0031746 k( 255) = ( 0.1400000 0.1400000 0.3029163), wk = 0.0031746 k( 256) = ( 0.1300000 0.1300000 0.3029163), wk = 0.0031746 k( 257) = ( 0.1200000 0.1200000 0.3029163), wk = 0.0031746 k( 258) = ( 0.1100000 0.1100000 0.3029163), wk = 0.0031746 k( 259) = ( 0.1000000 0.1000000 0.3029163), wk = 0.0031746 k( 260) = ( 0.0900000 0.0900000 0.3029163), wk = 0.0031746 k( 261) = ( 0.0800000 0.0800000 0.3029163), wk = 0.0031746 k( 262) = ( 0.0700000 0.0700000 0.3029163), wk = 0.0031746 k( 263) = ( 0.0600000 0.0600000 0.3029163), wk = 0.0031746 k( 264) = ( 0.0500000 0.0500000 0.3029163), wk = 0.0031746 k( 265) = ( 0.0400000 0.0400000 0.3029163), wk = 0.0031746 k( 266) = ( 0.0300000 0.0300000 0.3029163), wk = 0.0031746 k( 267) = ( 0.0200000 0.0200000 0.3029163), wk = 0.0031746 k( 268) = ( 0.0100000 0.0100000 0.3029163), wk = 0.0031746 k( 269) = ( 0.0000000 0.0000000 0.3029163), wk = 0.0031746 k( 270) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031746 k( 271) = ( 0.0000000 0.5000000 0.0137689), wk = 0.0031746 k( 272) = ( 0.0000000 0.5000000 0.0275378), wk = 0.0031746 k( 273) = ( 0.0000000 0.5000000 0.0413068), wk = 0.0031746 k( 274) = ( 0.0000000 0.5000000 0.0550757), wk = 0.0031746 k( 275) = ( 0.0000000 0.5000000 0.0688446), wk = 0.0031746 k( 276) = ( 0.0000000 0.5000000 0.0826135), wk = 0.0031746 k( 277) = ( 0.0000000 0.5000000 0.0963825), wk = 0.0031746 k( 278) = ( 0.0000000 0.5000000 0.1101514), wk = 0.0031746 k( 279) = ( 0.0000000 0.5000000 0.1239203), wk = 0.0031746 k( 280) = ( 0.0000000 0.5000000 0.1376892), wk = 0.0031746 k( 281) = ( 0.0000000 0.5000000 0.1514581), wk = 0.0031746 k( 282) = ( 0.0000000 0.5000000 0.1652271), wk = 0.0031746 k( 283) = ( 0.0000000 0.5000000 0.1789960), wk = 0.0031746 k( 284) = ( 0.0000000 0.5000000 0.1927649), wk = 0.0031746 k( 285) = ( 0.0000000 0.5000000 0.2065338), wk = 0.0031746 k( 286) = ( 0.0000000 0.5000000 0.2203027), wk = 0.0031746 k( 287) = ( 0.0000000 0.5000000 0.2340717), wk = 0.0031746 k( 288) = ( 0.0000000 0.5000000 0.2478406), wk = 0.0031746 k( 289) = ( 0.0000000 0.5000000 0.2616095), wk = 0.0031746 k( 290) = ( 0.0000000 0.5000000 0.2753784), wk = 0.0031746 k( 291) = ( 0.0000000 0.5000000 0.2891474), wk = 0.0031746 k( 292) = ( 0.0000000 0.5000000 0.3029163), wk = 0.0031746 k( 293) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031746 k( 294) = ( 0.5000000 0.5000000 0.0137689), wk = 0.0031746 k( 295) = ( 0.5000000 0.5000000 0.0275378), wk = 0.0031746 k( 296) = ( 0.5000000 0.5000000 0.0413068), wk = 0.0031746 k( 297) = ( 0.5000000 0.5000000 0.0550757), wk = 0.0031746 k( 298) = ( 0.5000000 0.5000000 0.0688446), wk = 0.0031746 k( 299) = ( 0.5000000 0.5000000 0.0826135), wk = 0.0031746 k( 300) = ( 0.5000000 0.5000000 0.0963825), wk = 0.0031746 k( 301) = ( 0.5000000 0.5000000 0.1101514), wk = 0.0031746 k( 302) = ( 0.5000000 0.5000000 0.1239203), wk = 0.0031746 k( 303) = ( 0.5000000 0.5000000 0.1376892), wk = 0.0031746 k( 304) = ( 0.5000000 0.5000000 0.1514581), wk = 0.0031746 k( 305) = ( 0.5000000 0.5000000 0.1652271), wk = 0.0031746 k( 306) = ( 0.5000000 0.5000000 0.1789960), wk = 0.0031746 k( 307) = ( 0.5000000 0.5000000 0.1927649), wk = 0.0031746 k( 308) = ( 0.5000000 0.5000000 0.2065338), wk = 0.0031746 k( 309) = ( 0.5000000 0.5000000 0.2203027), wk = 0.0031746 k( 310) = ( 0.5000000 0.5000000 0.2340717), wk = 0.0031746 k( 311) = ( 0.5000000 0.5000000 0.2478406), wk = 0.0031746 k( 312) = ( 0.5000000 0.5000000 0.2616095), wk = 0.0031746 k( 313) = ( 0.5000000 0.5000000 0.2753784), wk = 0.0031746 k( 314) = ( 0.5000000 0.5000000 0.2891474), wk = 0.0031746 k( 315) = ( 0.5000000 0.5000000 0.3029163), wk = 0.0031746 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031746 k( 2) = ( 0.0000000 0.0142857 -0.0000000), wk = 0.0031746 k( 3) = ( 0.0000000 0.0285714 -0.0000000), wk = 0.0031746 k( 4) = ( 0.0000000 0.0428571 -0.0000000), wk = 0.0031746 k( 5) = ( 0.0000000 0.0571429 -0.0000000), wk = 0.0031746 k( 6) = ( 0.0000000 0.0714286 0.0000000), wk = 0.0031746 k( 7) = ( 0.0000000 0.0857143 0.0000000), wk = 0.0031746 k( 8) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0031746 k( 9) = ( 0.0000000 0.1142857 -0.0000000), wk = 0.0031746 k( 10) = ( 0.0000000 0.1285714 -0.0000000), wk = 0.0031746 k( 11) = ( 0.0000000 0.1428571 0.0000000), wk = 0.0031746 k( 12) = ( 0.0000000 0.1571429 0.0000000), wk = 0.0031746 k( 13) = ( 0.0000000 0.1714286 -0.0000000), wk = 0.0031746 k( 14) = ( 0.0000000 0.1857143 -0.0000000), wk = 0.0031746 k( 15) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0031746 k( 16) = ( 0.0000000 0.2142857 0.0000000), wk = 0.0031746 k( 17) = ( 0.0000000 0.2285714 -0.0000000), wk = 0.0031746 k( 18) = ( 0.0000000 0.2428571 -0.0000000), wk = 0.0031746 k( 19) = ( 0.0000000 0.2571429 -0.0000000), wk = 0.0031746 k( 20) = ( 0.0000000 0.2714286 -0.0000000), wk = 0.0031746 k( 21) = ( 0.0000000 0.2857143 -0.0000000), wk = 0.0031746 k( 22) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0031746 k( 23) = ( 0.0000000 0.3142857 -0.0000000), wk = 0.0031746 k( 24) = ( 0.0000000 0.3285714 -0.0000000), wk = 0.0031746 k( 25) = ( 0.0000000 0.3428571 -0.0000000), wk = 0.0031746 k( 26) = ( 0.0000000 0.3571429 -0.0000000), wk = 0.0031746 k( 27) = ( 0.0000000 0.3714286 -0.0000000), wk = 0.0031746 k( 28) = ( 0.0000000 0.3857143 -0.0000000), wk = 0.0031746 k( 29) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0031746 k( 30) = ( 0.0000000 0.4142857 -0.0000000), wk = 0.0031746 k( 31) = ( 0.0000000 0.4285714 -0.0000000), wk = 0.0031746 k( 32) = ( 0.0000000 0.4428571 0.0000000), wk = 0.0031746 k( 33) = ( 0.0000000 0.4571429 -0.0000000), wk = 0.0031746 k( 34) = ( 0.0000000 0.4714286 -0.0000000), wk = 0.0031746 k( 35) = ( 0.0000000 0.4857143 -0.0000000), wk = 0.0031746 k( 36) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031746 k( 37) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031746 k( 38) = ( 0.0142857 0.5000000 -0.0000000), wk = 0.0031746 k( 39) = ( 0.0285714 0.5000000 -0.0000000), wk = 0.0031746 k( 40) = ( 0.0428571 0.5000000 -0.0000000), wk = 0.0031746 k( 41) = ( 0.0571429 0.5000000 -0.0000000), wk = 0.0031746 k( 42) = ( 0.0714286 0.5000000 -0.0000000), wk = 0.0031746 k( 43) = ( 0.0857143 0.5000000 -0.0000000), wk = 0.0031746 k( 44) = ( 0.1000000 0.5000000 0.0000000), wk = 0.0031746 k( 45) = ( 0.1142857 0.5000000 0.0000000), wk = 0.0031746 k( 46) = ( 0.1285714 0.5000000 -0.0000000), wk = 0.0031746 k( 47) = ( 0.1428571 0.5000000 -0.0000000), wk = 0.0031746 k( 48) = ( 0.1571429 0.5000000 0.0000000), wk = 0.0031746 k( 49) = ( 0.1714286 0.5000000 0.0000000), wk = 0.0031746 k( 50) = ( 0.1857143 0.5000000 -0.0000000), wk = 0.0031746 k( 51) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0031746 k( 52) = ( 0.2142857 0.5000000 0.0000000), wk = 0.0031746 k( 53) = ( 0.2285714 0.5000000 0.0000000), wk = 0.0031746 k( 54) = ( 0.2428571 0.5000000 -0.0000000), wk = 0.0031746 k( 55) = ( 0.2571429 0.5000000 -0.0000000), wk = 0.0031746 k( 56) = ( 0.2714286 0.5000000 0.0000000), wk = 0.0031746 k( 57) = ( 0.2857143 0.5000000 -0.0000000), wk = 0.0031746 k( 58) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0031746 k( 59) = ( 0.3142857 0.5000000 -0.0000000), wk = 0.0031746 k( 60) = ( 0.3285714 0.5000000 -0.0000000), wk = 0.0031746 k( 61) = ( 0.3428571 0.5000000 -0.0000000), wk = 0.0031746 k( 62) = ( 0.3571429 0.5000000 -0.0000000), wk = 0.0031746 k( 63) = ( 0.3714286 0.5000000 -0.0000000), wk = 0.0031746 k( 64) = ( 0.3857143 0.5000000 0.0000000), wk = 0.0031746 k( 65) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0031746 k( 66) = ( 0.4142857 0.5000000 0.0000000), wk = 0.0031746 k( 67) = ( 0.4285714 0.5000000 0.0000000), wk = 0.0031746 k( 68) = ( 0.4428571 0.5000000 -0.0000000), wk = 0.0031746 k( 69) = ( 0.4571429 0.5000000 -0.0000000), wk = 0.0031746 k( 70) = ( 0.4714286 0.5000000 0.0000000), wk = 0.0031746 k( 71) = ( 0.4857143 0.5000000 0.0000000), wk = 0.0031746 k( 72) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031746 k( 73) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031746 k( 74) = ( 0.4900000 0.4900000 0.0000000), wk = 0.0031746 k( 75) = ( 0.4800000 0.4800000 0.0000000), wk = 0.0031746 k( 76) = ( 0.4700000 0.4700000 0.0000000), wk = 0.0031746 k( 77) = ( 0.4600000 0.4600000 -0.0000000), wk = 0.0031746 k( 78) = ( 0.4500000 0.4500000 -0.0000000), wk = 0.0031746 k( 79) = ( 0.4400000 0.4400000 0.0000000), wk = 0.0031746 k( 80) = ( 0.4300000 0.4300000 0.0000000), wk = 0.0031746 k( 81) = ( 0.4200000 0.4200000 -0.0000000), wk = 0.0031746 k( 82) = ( 0.4100000 0.4100000 -0.0000000), wk = 0.0031746 k( 83) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0031746 k( 84) = ( 0.3900000 0.3900000 -0.0000000), wk = 0.0031746 k( 85) = ( 0.3800000 0.3800000 0.0000000), wk = 0.0031746 k( 86) = ( 0.3700000 0.3700000 0.0000000), wk = 0.0031746 k( 87) = ( 0.3600000 0.3600000 -0.0000000), wk = 0.0031746 k( 88) = ( 0.3500000 0.3500000 -0.0000000), wk = 0.0031746 k( 89) = ( 0.3400000 0.3400000 0.0000000), wk = 0.0031746 k( 90) = ( 0.3300000 0.3300000 -0.0000000), wk = 0.0031746 k( 91) = ( 0.3200000 0.3200000 0.0000000), wk = 0.0031746 k( 92) = ( 0.3100000 0.3100000 -0.0000000), wk = 0.0031746 k( 93) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0031746 k( 94) = ( 0.2900000 0.2900000 0.0000000), wk = 0.0031746 k( 95) = ( 0.2800000 0.2800000 0.0000000), wk = 0.0031746 k( 96) = ( 0.2700000 0.2700000 0.0000000), wk = 0.0031746 k( 97) = ( 0.2600000 0.2600000 0.0000000), wk = 0.0031746 k( 98) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0031746 k( 99) = ( 0.2400000 0.2400000 0.0000000), wk = 0.0031746 k( 100) = ( 0.2300000 0.2300000 -0.0000000), wk = 0.0031746 k( 101) = ( 0.2200000 0.2200000 0.0000000), wk = 0.0031746 k( 102) = ( 0.2100000 0.2100000 -0.0000000), wk = 0.0031746 k( 103) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0031746 k( 104) = ( 0.1900000 0.1900000 0.0000000), wk = 0.0031746 k( 105) = ( 0.1800000 0.1800000 -0.0000000), wk = 0.0031746 k( 106) = ( 0.1700000 0.1700000 0.0000000), wk = 0.0031746 k( 107) = ( 0.1600000 0.1600000 0.0000000), wk = 0.0031746 k( 108) = ( 0.1500000 0.1500000 -0.0000000), wk = 0.0031746 k( 109) = ( 0.1400000 0.1400000 0.0000000), wk = 0.0031746 k( 110) = ( 0.1300000 0.1300000 0.0000000), wk = 0.0031746 k( 111) = ( 0.1200000 0.1200000 0.0000000), wk = 0.0031746 k( 112) = ( 0.1100000 0.1100000 0.0000000), wk = 0.0031746 k( 113) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0031746 k( 114) = ( 0.0900000 0.0900000 -0.0000000), wk = 0.0031746 k( 115) = ( 0.0800000 0.0800000 0.0000000), wk = 0.0031746 k( 116) = ( 0.0700000 0.0700000 0.0000000), wk = 0.0031746 k( 117) = ( 0.0600000 0.0600000 0.0000000), wk = 0.0031746 k( 118) = ( 0.0500000 0.0500000 -0.0000000), wk = 0.0031746 k( 119) = ( 0.0400000 0.0400000 0.0000000), wk = 0.0031746 k( 120) = ( 0.0300000 0.0300000 0.0000000), wk = 0.0031746 k( 121) = ( 0.0200000 0.0200000 0.0000000), wk = 0.0031746 k( 122) = ( 0.0100000 0.0100000 0.0000000), wk = 0.0031746 k( 123) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031746 k( 124) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031746 k( 125) = ( 0.0000000 0.0000000 0.0227273), wk = 0.0031746 k( 126) = ( 0.0000000 0.0000000 0.0454546), wk = 0.0031746 k( 127) = ( 0.0000000 0.0000000 0.0681818), wk = 0.0031746 k( 128) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0031746 k( 129) = ( 0.0000000 0.0000000 0.1136364), wk = 0.0031746 k( 130) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0031746 k( 131) = ( 0.0000000 0.0000000 0.1590909), wk = 0.0031746 k( 132) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0031746 k( 133) = ( 0.0000000 0.0000000 0.2045454), wk = 0.0031746 k( 134) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0031746 k( 135) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0031746 k( 136) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0031746 k( 137) = ( 0.0000000 0.0000000 0.2954545), wk = 0.0031746 k( 138) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0031746 k( 139) = ( 0.0000000 0.0000000 0.3409091), wk = 0.0031746 k( 140) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0031746 k( 141) = ( 0.0000000 0.0000000 0.3863636), wk = 0.0031746 k( 142) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0031746 k( 143) = ( 0.0000000 0.0000000 0.4318182), wk = 0.0031746 k( 144) = ( 0.0000000 0.0000000 0.4545455), wk = 0.0031746 k( 145) = ( 0.0000000 0.0000000 0.4772727), wk = 0.0031746 k( 146) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031746 k( 147) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031746 k( 148) = ( 0.0000000 0.0142857 0.5000000), wk = 0.0031746 k( 149) = ( 0.0000000 0.0285714 0.5000000), wk = 0.0031746 k( 150) = ( 0.0000000 0.0428571 0.5000000), wk = 0.0031746 k( 151) = ( 0.0000000 0.0571429 0.5000000), wk = 0.0031746 k( 152) = ( 0.0000000 0.0714286 0.5000000), wk = 0.0031746 k( 153) = ( 0.0000000 0.0857143 0.5000000), wk = 0.0031746 k( 154) = ( 0.0000000 0.1000000 0.5000000), wk = 0.0031746 k( 155) = ( 0.0000000 0.1142857 0.5000000), wk = 0.0031746 k( 156) = ( 0.0000000 0.1285714 0.5000000), wk = 0.0031746 k( 157) = ( 0.0000000 0.1428571 0.5000000), wk = 0.0031746 k( 158) = ( 0.0000000 0.1571429 0.5000000), wk = 0.0031746 k( 159) = ( 0.0000000 0.1714286 0.5000000), wk = 0.0031746 k( 160) = ( 0.0000000 0.1857143 0.5000000), wk = 0.0031746 k( 161) = ( 0.0000000 0.2000000 0.5000000), wk = 0.0031746 k( 162) = ( 0.0000000 0.2142857 0.5000000), wk = 0.0031746 k( 163) = ( 0.0000000 0.2285714 0.5000000), wk = 0.0031746 k( 164) = ( 0.0000000 0.2428571 0.5000000), wk = 0.0031746 k( 165) = ( 0.0000000 0.2571429 0.5000000), wk = 0.0031746 k( 166) = ( 0.0000000 0.2714286 0.5000000), wk = 0.0031746 k( 167) = ( 0.0000000 0.2857143 0.5000000), wk = 0.0031746 k( 168) = ( 0.0000000 0.3000000 0.5000000), wk = 0.0031746 k( 169) = ( 0.0000000 0.3142857 0.5000000), wk = 0.0031746 k( 170) = ( 0.0000000 0.3285714 0.5000000), wk = 0.0031746 k( 171) = ( 0.0000000 0.3428571 0.5000000), wk = 0.0031746 k( 172) = ( 0.0000000 0.3571429 0.5000000), wk = 0.0031746 k( 173) = ( 0.0000000 0.3714286 0.5000000), wk = 0.0031746 k( 174) = ( 0.0000000 0.3857143 0.5000000), wk = 0.0031746 k( 175) = ( 0.0000000 0.4000000 0.5000000), wk = 0.0031746 k( 176) = ( 0.0000000 0.4142857 0.5000000), wk = 0.0031746 k( 177) = ( 0.0000000 0.4285714 0.5000000), wk = 0.0031746 k( 178) = ( 0.0000000 0.4428571 0.5000000), wk = 0.0031746 k( 179) = ( 0.0000000 0.4571429 0.5000000), wk = 0.0031746 k( 180) = ( 0.0000000 0.4714286 0.5000000), wk = 0.0031746 k( 181) = ( 0.0000000 0.4857143 0.5000000), wk = 0.0031746 k( 182) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0031746 k( 183) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0031746 k( 184) = ( 0.0142857 0.5000000 0.5000000), wk = 0.0031746 k( 185) = ( 0.0285714 0.5000000 0.5000000), wk = 0.0031746 k( 186) = ( 0.0428571 0.5000000 0.5000000), wk = 0.0031746 k( 187) = ( 0.0571429 0.5000000 0.5000000), wk = 0.0031746 k( 188) = ( 0.0714286 0.5000000 0.5000000), wk = 0.0031746 k( 189) = ( 0.0857143 0.5000000 0.5000000), wk = 0.0031746 k( 190) = ( 0.1000000 0.5000000 0.5000000), wk = 0.0031746 k( 191) = ( 0.1142857 0.5000000 0.5000000), wk = 0.0031746 k( 192) = ( 0.1285714 0.5000000 0.5000000), wk = 0.0031746 k( 193) = ( 0.1428571 0.5000000 0.5000000), wk = 0.0031746 k( 194) = ( 0.1571429 0.5000000 0.5000000), wk = 0.0031746 k( 195) = ( 0.1714286 0.5000000 0.5000000), wk = 0.0031746 k( 196) = ( 0.1857143 0.5000000 0.5000000), wk = 0.0031746 k( 197) = ( 0.2000000 0.5000000 0.5000000), wk = 0.0031746 k( 198) = ( 0.2142857 0.5000000 0.5000000), wk = 0.0031746 k( 199) = ( 0.2285714 0.5000000 0.5000000), wk = 0.0031746 k( 200) = ( 0.2428571 0.5000000 0.5000000), wk = 0.0031746 k( 201) = ( 0.2571429 0.5000000 0.5000000), wk = 0.0031746 k( 202) = ( 0.2714286 0.5000000 0.5000000), wk = 0.0031746 k( 203) = ( 0.2857143 0.5000000 0.5000000), wk = 0.0031746 k( 204) = ( 0.3000000 0.5000000 0.5000000), wk = 0.0031746 k( 205) = ( 0.3142857 0.5000000 0.5000000), wk = 0.0031746 k( 206) = ( 0.3285714 0.5000000 0.5000000), wk = 0.0031746 k( 207) = ( 0.3428571 0.5000000 0.5000000), wk = 0.0031746 k( 208) = ( 0.3571429 0.5000000 0.5000000), wk = 0.0031746 k( 209) = ( 0.3714286 0.5000000 0.5000000), wk = 0.0031746 k( 210) = ( 0.3857143 0.5000000 0.5000000), wk = 0.0031746 k( 211) = ( 0.4000000 0.5000000 0.5000000), wk = 0.0031746 k( 212) = ( 0.4142857 0.5000000 0.5000000), wk = 0.0031746 k( 213) = ( 0.4285714 0.5000000 0.5000000), wk = 0.0031746 k( 214) = ( 0.4428571 0.5000000 0.5000000), wk = 0.0031746 k( 215) = ( 0.4571429 0.5000000 0.5000000), wk = 0.0031746 k( 216) = ( 0.4714286 0.5000000 0.5000000), wk = 0.0031746 k( 217) = ( 0.4857143 0.5000000 0.5000000), wk = 0.0031746 k( 218) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031746 k( 219) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031746 k( 220) = ( 0.4900000 0.4900000 0.5000000), wk = 0.0031746 k( 221) = ( 0.4800000 0.4800000 0.5000000), wk = 0.0031746 k( 222) = ( 0.4700000 0.4700000 0.5000000), wk = 0.0031746 k( 223) = ( 0.4600000 0.4600000 0.5000000), wk = 0.0031746 k( 224) = ( 0.4500000 0.4500000 0.5000000), wk = 0.0031746 k( 225) = ( 0.4400000 0.4400000 0.5000000), wk = 0.0031746 k( 226) = ( 0.4300000 0.4300000 0.5000000), wk = 0.0031746 k( 227) = ( 0.4200000 0.4200000 0.5000000), wk = 0.0031746 k( 228) = ( 0.4100000 0.4100000 0.5000000), wk = 0.0031746 k( 229) = ( 0.4000000 0.4000000 0.5000000), wk = 0.0031746 k( 230) = ( 0.3900000 0.3900000 0.5000000), wk = 0.0031746 k( 231) = ( 0.3800000 0.3800000 0.5000000), wk = 0.0031746 k( 232) = ( 0.3700000 0.3700000 0.5000000), wk = 0.0031746 k( 233) = ( 0.3600000 0.3600000 0.5000000), wk = 0.0031746 k( 234) = ( 0.3500000 0.3500000 0.5000000), wk = 0.0031746 k( 235) = ( 0.3400000 0.3400000 0.5000000), wk = 0.0031746 k( 236) = ( 0.3300000 0.3300000 0.5000000), wk = 0.0031746 k( 237) = ( 0.3200000 0.3200000 0.5000000), wk = 0.0031746 k( 238) = ( 0.3100000 0.3100000 0.5000000), wk = 0.0031746 k( 239) = ( 0.3000000 0.3000000 0.5000000), wk = 0.0031746 k( 240) = ( 0.2900000 0.2900000 0.5000000), wk = 0.0031746 k( 241) = ( 0.2800000 0.2800000 0.5000000), wk = 0.0031746 k( 242) = ( 0.2700000 0.2700000 0.5000000), wk = 0.0031746 k( 243) = ( 0.2600000 0.2600000 0.5000000), wk = 0.0031746 k( 244) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0031746 k( 245) = ( 0.2400000 0.2400000 0.5000000), wk = 0.0031746 k( 246) = ( 0.2300000 0.2300000 0.5000000), wk = 0.0031746 k( 247) = ( 0.2200000 0.2200000 0.5000000), wk = 0.0031746 k( 248) = ( 0.2100000 0.2100000 0.5000000), wk = 0.0031746 k( 249) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0031746 k( 250) = ( 0.1900000 0.1900000 0.5000000), wk = 0.0031746 k( 251) = ( 0.1800000 0.1800000 0.5000000), wk = 0.0031746 k( 252) = ( 0.1700000 0.1700000 0.5000000), wk = 0.0031746 k( 253) = ( 0.1600000 0.1600000 0.5000000), wk = 0.0031746 k( 254) = ( 0.1500000 0.1500000 0.5000000), wk = 0.0031746 k( 255) = ( 0.1400000 0.1400000 0.5000000), wk = 0.0031746 k( 256) = ( 0.1300000 0.1300000 0.5000000), wk = 0.0031746 k( 257) = ( 0.1200000 0.1200000 0.5000000), wk = 0.0031746 k( 258) = ( 0.1100000 0.1100000 0.5000000), wk = 0.0031746 k( 259) = ( 0.1000000 0.1000000 0.5000000), wk = 0.0031746 k( 260) = ( 0.0900000 0.0900000 0.5000000), wk = 0.0031746 k( 261) = ( 0.0800000 0.0800000 0.5000000), wk = 0.0031746 k( 262) = ( 0.0700000 0.0700000 0.5000000), wk = 0.0031746 k( 263) = ( 0.0600000 0.0600000 0.5000000), wk = 0.0031746 k( 264) = ( 0.0500000 0.0500000 0.5000000), wk = 0.0031746 k( 265) = ( 0.0400000 0.0400000 0.5000000), wk = 0.0031746 k( 266) = ( 0.0300000 0.0300000 0.5000000), wk = 0.0031746 k( 267) = ( 0.0200000 0.0200000 0.5000000), wk = 0.0031746 k( 268) = ( 0.0100000 0.0100000 0.5000000), wk = 0.0031746 k( 269) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031746 k( 270) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031746 k( 271) = ( 0.0000000 0.5000000 0.0227273), wk = 0.0031746 k( 272) = ( 0.0000000 0.5000000 0.0454546), wk = 0.0031746 k( 273) = ( 0.0000000 0.5000000 0.0681818), wk = 0.0031746 k( 274) = ( 0.0000000 0.5000000 0.0909091), wk = 0.0031746 k( 275) = ( 0.0000000 0.5000000 0.1136364), wk = 0.0031746 k( 276) = ( 0.0000000 0.5000000 0.1363636), wk = 0.0031746 k( 277) = ( 0.0000000 0.5000000 0.1590909), wk = 0.0031746 k( 278) = ( 0.0000000 0.5000000 0.1818182), wk = 0.0031746 k( 279) = ( 0.0000000 0.5000000 0.2045455), wk = 0.0031746 k( 280) = ( 0.0000000 0.5000000 0.2272727), wk = 0.0031746 k( 281) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0031746 k( 282) = ( 0.0000000 0.5000000 0.2727273), wk = 0.0031746 k( 283) = ( 0.0000000 0.5000000 0.2954545), wk = 0.0031746 k( 284) = ( 0.0000000 0.5000000 0.3181818), wk = 0.0031746 k( 285) = ( 0.0000000 0.5000000 0.3409091), wk = 0.0031746 k( 286) = ( 0.0000000 0.5000000 0.3636364), wk = 0.0031746 k( 287) = ( 0.0000000 0.5000000 0.3863636), wk = 0.0031746 k( 288) = ( 0.0000000 0.5000000 0.4090909), wk = 0.0031746 k( 289) = ( 0.0000000 0.5000000 0.4318182), wk = 0.0031746 k( 290) = ( 0.0000000 0.5000000 0.4545455), wk = 0.0031746 k( 291) = ( 0.0000000 0.5000000 0.4772727), wk = 0.0031746 k( 292) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0031746 k( 293) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031746 k( 294) = ( 0.5000000 0.5000000 0.0227273), wk = 0.0031746 k( 295) = ( 0.5000000 0.5000000 0.0454546), wk = 0.0031746 k( 296) = ( 0.5000000 0.5000000 0.0681818), wk = 0.0031746 k( 297) = ( 0.5000000 0.5000000 0.0909091), wk = 0.0031746 k( 298) = ( 0.5000000 0.5000000 0.1136364), wk = 0.0031746 k( 299) = ( 0.5000000 0.5000000 0.1363636), wk = 0.0031746 k( 300) = ( 0.5000000 0.5000000 0.1590909), wk = 0.0031746 k( 301) = ( 0.5000000 0.5000000 0.1818182), wk = 0.0031746 k( 302) = ( 0.5000000 0.5000000 0.2045454), wk = 0.0031746 k( 303) = ( 0.5000000 0.5000000 0.2272727), wk = 0.0031746 k( 304) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0031746 k( 305) = ( 0.5000000 0.5000000 0.2727273), wk = 0.0031746 k( 306) = ( 0.5000000 0.5000000 0.2954545), wk = 0.0031746 k( 307) = ( 0.5000000 0.5000000 0.3181818), wk = 0.0031746 k( 308) = ( 0.5000000 0.5000000 0.3409091), wk = 0.0031746 k( 309) = ( 0.5000000 0.5000000 0.3636364), wk = 0.0031746 k( 310) = ( 0.5000000 0.5000000 0.3863636), wk = 0.0031746 k( 311) = ( 0.5000000 0.5000000 0.4090909), wk = 0.0031746 k( 312) = ( 0.5000000 0.5000000 0.4318182), wk = 0.0031746 k( 313) = ( 0.5000000 0.5000000 0.4545455), wk = 0.0031746 k( 314) = ( 0.5000000 0.5000000 0.4772727), wk = 0.0031746 k( 315) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031746 Dense grid: 97219 G-vectors FFT dimensions: ( 50, 50, 80) Smooth grid: 48687 G-vectors FFT dimensions: ( 40, 40, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.30 Mb ( 344, 58) NL pseudopotentials 0.33 Mb ( 172, 126) Each V/rho on FFT grid 0.11 Mb ( 7500) Each G-vector array 0.02 Mb ( 2703) G-vector shells 0.01 Mb ( 1336) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.22 Mb ( 344, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.22 Mb ( 126, 2, 58) The potential is recalculated from file : ./BaBrF.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs + 6 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.4 secs Computing kpt #: 2 total cpu time spent up to now is 3.0 secs Computing kpt #: 3 total cpu time spent up to now is 3.6 secs Computing kpt #: 4 total cpu time spent up to now is 4.1 secs Computing kpt #: 5 total cpu time spent up to now is 4.6 secs Computing kpt #: 6 total cpu time spent up to now is 5.2 secs Computing kpt #: 7 total cpu time spent up to now is 5.9 secs Computing kpt #: 8 total cpu time spent up to now is 6.4 secs Computing kpt #: 9 total cpu time spent up to now is 6.9 secs Computing kpt #: 10 total cpu time spent up to now is 7.5 secs Computing kpt #: 11 total cpu time spent up to now is 8.0 secs Computing kpt #: 12 total cpu time spent up to now is 8.5 secs Computing kpt #: 13 total cpu time spent up to now is 9.0 secs Computing kpt #: 14 total cpu time spent up to now is 9.6 secs Computing kpt #: 15 total cpu time spent up to now is 10.1 secs Computing kpt #: 16 total cpu time spent up to now is 10.6 secs Computing kpt #: 17 total cpu time spent up to now is 11.1 secs Computing kpt #: 18 total cpu time spent up to now is 11.6 secs Computing kpt #: 19 total cpu time spent up to now is 12.1 secs Computing kpt #: 20 total cpu time spent up to now is 12.6 secs Computing kpt #: 21 total cpu time spent up to now is 13.1 secs Computing kpt #: 22 total cpu time spent up to now is 13.6 secs Computing kpt #: 23 total cpu time spent up to now is 14.1 secs Computing kpt #: 24 total cpu time spent up to now is 14.6 secs Computing kpt #: 25 total cpu time spent up to now is 15.1 secs Computing kpt #: 26 total cpu time spent up to now is 15.6 secs Computing kpt #: 27 total cpu time spent up to now is 16.1 secs Computing kpt #: 28 total cpu time spent up to now is 16.6 secs Computing kpt #: 29 total cpu time spent up to now is 17.1 secs Computing kpt #: 30 total cpu time spent up to now is 17.6 secs Computing kpt #: 31 total cpu time spent up to now is 18.1 secs Computing kpt #: 32 total cpu time spent up to now is 18.7 secs Computing kpt #: 33 total cpu time spent up to now is 19.2 secs Computing kpt #: 34 total cpu time spent up to now is 19.8 secs Computing kpt #: 35 total cpu time spent up to now is 20.4 secs Computing kpt #: 36 total cpu time spent up to now is 20.9 secs Computing kpt #: 37 total cpu time spent up to now is 21.4 secs Computing kpt #: 38 total cpu time spent up to now is 22.0 secs Computing kpt #: 39 total cpu time spent up to now is 22.6 secs Computing kpt #: 40 total cpu time spent up to now is 23.1 secs Computing kpt #: 41 total cpu time spent up to now is 23.8 secs Computing kpt #: 42 total cpu time spent up to now is 24.4 secs Computing kpt #: 43 total cpu time spent up to now is 25.0 secs Computing kpt #: 44 total cpu time spent up to now is 25.5 secs Computing kpt #: 45 total cpu time spent up to now is 26.1 secs Computing kpt #: 46 total cpu time spent up to now is 26.6 secs Computing kpt #: 47 total cpu time spent up to now is 27.2 secs Computing kpt #: 48 total cpu time spent up to now is 27.7 secs Computing kpt #: 49 total cpu time spent up to now is 28.3 secs Computing kpt #: 50 total cpu time spent up to now is 28.9 secs Computing kpt #: 51 total cpu time spent up to now is 29.5 secs Computing kpt #: 52 total cpu time spent up to now is 30.1 secs Computing kpt #: 53 total cpu time spent up to now is 30.7 secs Computing kpt #: 54 total cpu time spent up to now is 31.4 secs Computing kpt #: 55 total cpu time spent up to now is 32.0 secs Computing kpt #: 56 total cpu time spent up to now is 32.6 secs Computing kpt #: 57 total cpu time spent up to now is 33.2 secs Computing kpt #: 58 total cpu time spent up to now is 33.8 secs Computing kpt #: 59 total cpu time spent up to now is 34.5 secs Computing kpt #: 60 total cpu time spent up to now is 35.1 secs Computing kpt #: 61 total cpu time spent up to now is 35.8 secs Computing kpt #: 62 total cpu time spent up to now is 36.4 secs Computing kpt #: 63 total cpu time spent up to now is 37.0 secs Computing kpt #: 64 total cpu time spent up to now is 37.7 secs Computing kpt #: 65 total cpu time spent up to now is 38.3 secs Computing kpt #: 66 total cpu time spent up to now is 39.0 secs Computing kpt #: 67 total cpu time spent up to now is 39.7 secs Computing kpt #: 68 total cpu time spent up to now is 40.3 secs Computing kpt #: 69 total cpu time spent up to now is 41.0 secs Computing kpt #: 70 total cpu time spent up to now is 41.8 secs Computing kpt #: 71 total cpu time spent up to now is 42.6 secs Computing kpt #: 72 total cpu time spent up to now is 43.2 secs Computing kpt #: 73 total cpu time spent up to now is 43.8 secs Computing kpt #: 74 total cpu time spent up to now is 44.6 secs Computing kpt #: 75 total cpu time spent up to now is 45.2 secs Computing kpt #: 76 total cpu time spent up to now is 45.9 secs Computing kpt #: 77 total cpu time spent up to now is 46.5 secs Computing kpt #: 78 total cpu time spent up to now is 47.2 secs Computing kpt #: 79 total cpu time spent up to now is 47.8 secs Computing kpt #: 80 total cpu time spent up to now is 48.4 secs Computing kpt #: 81 total cpu time spent up to now is 49.0 secs Computing kpt #: 82 total cpu time spent up to now is 49.7 secs Computing kpt #: 83 total cpu time spent up to now is 50.2 secs Computing kpt #: 84 total cpu time spent up to now is 50.8 secs Computing kpt #: 85 total cpu time spent up to now is 51.3 secs Computing kpt #: 86 total cpu time spent up to now is 51.8 secs Computing kpt #: 87 total cpu time spent up to now is 52.4 secs Computing kpt #: 88 total cpu time spent up to now is 52.9 secs Computing kpt #: 89 total cpu time spent up to now is 53.4 secs Computing kpt #: 90 total cpu time spent up to now is 53.9 secs Computing kpt #: 91 total cpu time spent up to now is 54.4 secs Computing kpt #: 92 total cpu time spent up to now is 54.9 secs Computing kpt #: 93 total cpu time spent up to now is 55.5 secs Computing kpt #: 94 total cpu time spent up to now is 56.0 secs Computing kpt #: 95 total cpu time spent up to now is 56.6 secs Computing kpt #: 96 total cpu time spent up to now is 57.1 secs Computing kpt #: 97 total cpu time spent up to now is 57.7 secs Computing kpt #: 98 total cpu time spent up to now is 58.2 secs Computing kpt #: 99 total cpu time spent up to now is 58.7 secs Computing kpt #: 100 total cpu time spent up to now is 59.3 secs Computing kpt #: 101 total cpu time spent up to now is 59.8 secs Computing kpt #: 102 total cpu time spent up to now is 60.3 secs Computing kpt #: 103 total cpu time spent up to now is 60.8 secs Computing kpt #: 104 total cpu time spent up to now is 61.3 secs Computing kpt #: 105 total cpu time spent up to now is 61.8 secs Computing kpt #: 106 total cpu time spent up to now is 62.3 secs Computing kpt #: 107 total cpu time spent up to now is 62.8 secs Computing kpt #: 108 total cpu time spent up to now is 63.4 secs Computing kpt #: 109 total cpu time spent up to now is 64.0 secs Computing kpt #: 110 total cpu time spent up to now is 64.6 secs Computing kpt #: 111 total cpu time spent up to now is 65.1 secs Computing kpt #: 112 total cpu time spent up to now is 65.7 secs Computing kpt #: 113 total cpu time spent up to now is 66.3 secs Computing kpt #: 114 total cpu time spent up to now is 66.8 secs Computing kpt #: 115 total cpu time spent up to now is 67.3 secs Computing kpt #: 116 total cpu time spent up to now is 67.9 secs Computing kpt #: 117 total cpu time spent up to now is 68.4 secs Computing kpt #: 118 total cpu time spent up to now is 69.0 secs Computing kpt #: 119 total cpu time spent up to now is 69.6 secs Computing kpt #: 120 total cpu time spent up to now is 70.2 secs Computing kpt #: 121 total cpu time spent up to now is 70.9 secs Computing kpt #: 122 total cpu time spent up to now is 71.6 secs Computing kpt #: 123 total cpu time spent up to now is 72.2 secs Computing kpt #: 124 total cpu time spent up to now is 72.8 secs Computing kpt #: 125 total cpu time spent up to now is 73.3 secs Computing kpt #: 126 total cpu time spent up to now is 73.9 secs Computing kpt #: 127 total cpu time spent up to now is 74.5 secs Computing kpt #: 128 total cpu time spent up to now is 75.1 secs Computing kpt #: 129 total cpu time spent up to now is 75.7 secs Computing kpt #: 130 total cpu time spent up to now is 76.2 secs Computing kpt #: 131 total cpu time spent up to now is 76.8 secs Computing kpt #: 132 total cpu time spent up to now is 77.4 secs Computing kpt #: 133 total cpu time spent up to now is 78.0 secs Computing kpt #: 134 total cpu time spent up to now is 78.6 secs Computing kpt #: 135 total cpu time spent up to now is 79.2 secs Computing kpt #: 136 total cpu time spent up to now is 79.8 secs Computing kpt #: 137 total cpu time spent up to now is 80.4 secs Computing kpt #: 138 total cpu time spent up to now is 81.0 secs Computing kpt #: 139 total cpu time spent up to now is 81.6 secs Computing kpt #: 140 total cpu time spent up to now is 82.2 secs Computing kpt #: 141 total cpu time spent up to now is 82.8 secs Computing kpt #: 142 total cpu time spent up to now is 83.4 secs Computing kpt #: 143 total cpu time spent up to now is 84.0 secs Computing kpt #: 144 total cpu time spent up to now is 84.5 secs Computing kpt #: 145 total cpu time spent up to now is 85.1 secs Computing kpt #: 146 total cpu time spent up to now is 85.7 secs Computing kpt #: 147 total cpu time spent up to now is 86.3 secs Computing kpt #: 148 total cpu time spent up to now is 86.9 secs Computing kpt #: 149 total cpu time spent up to now is 87.5 secs Computing kpt #: 150 total cpu time spent up to now is 88.1 secs Computing kpt #: 151 total cpu time spent up to now is 88.7 secs Computing kpt #: 152 total cpu time spent up to now is 89.3 secs Computing kpt #: 153 total cpu time spent up to now is 89.9 secs Computing kpt #: 154 total cpu time spent up to now is 90.4 secs Computing kpt #: 155 total cpu time spent up to now is 91.0 secs Computing kpt #: 156 total cpu time spent up to now is 91.6 secs Computing kpt #: 157 total cpu time spent up to now is 92.2 secs Computing kpt #: 158 total cpu time spent up to now is 92.8 secs Computing kpt #: 159 total cpu time spent up to now is 93.3 secs Computing kpt #: 160 total cpu time spent up to now is 93.9 secs Computing kpt #: 161 total cpu time spent up to now is 94.4 secs Computing kpt #: 162 total cpu time spent up to now is 95.0 secs Computing kpt #: 163 total cpu time spent up to now is 95.5 secs Computing kpt #: 164 total cpu time spent up to now is 96.1 secs Computing kpt #: 165 total cpu time spent up to now is 96.6 secs Computing kpt #: 166 total cpu time spent up to now is 97.2 secs Computing kpt #: 167 total cpu time spent up to now is 97.7 secs Computing kpt #: 168 total cpu time spent up to now is 98.3 secs Computing kpt #: 169 total cpu time spent up to now is 98.8 secs Computing kpt #: 170 total cpu time spent up to now is 99.3 secs Computing kpt #: 171 total cpu time spent up to now is 99.9 secs Computing kpt #: 172 total cpu time spent up to now is 100.4 secs Computing kpt #: 173 total cpu time spent up to now is 101.0 secs Computing kpt #: 174 total cpu time spent up to now is 101.5 secs Computing kpt #: 175 total cpu time spent up to now is 102.0 secs Computing kpt #: 176 total cpu time spent up to now is 102.6 secs Computing kpt #: 177 total cpu time spent up to now is 103.1 secs Computing kpt #: 178 total cpu time spent up to now is 103.7 secs Computing kpt #: 179 total cpu time spent up to now is 104.3 secs Computing kpt #: 180 total cpu time spent up to now is 104.9 secs Computing kpt #: 181 total cpu time spent up to now is 105.5 secs Computing kpt #: 182 total cpu time spent up to now is 106.0 secs Computing kpt #: 183 total cpu time spent up to now is 106.6 secs Computing kpt #: 184 total cpu time spent up to now is 107.2 secs Computing kpt #: 185 total cpu time spent up to now is 107.8 secs Computing kpt #: 186 total cpu time spent up to now is 108.4 secs Computing kpt #: 187 total cpu time spent up to now is 109.0 secs Computing kpt #: 188 total cpu time spent up to now is 109.6 secs Computing kpt #: 189 total cpu time spent up to now is 110.2 secs Computing kpt #: 190 total cpu time spent up to now is 110.9 secs Computing kpt #: 191 total cpu time spent up to now is 111.5 secs Computing kpt #: 192 total cpu time spent up to now is 112.1 secs Computing kpt #: 193 total cpu time spent up to now is 112.6 secs Computing kpt #: 194 total cpu time spent up to now is 113.2 secs Computing kpt #: 195 total cpu time spent up to now is 113.7 secs Computing kpt #: 196 total cpu time spent up to now is 114.3 secs Computing kpt #: 197 total cpu time spent up to now is 114.8 secs Computing kpt #: 198 total cpu time spent up to now is 115.4 secs Computing kpt #: 199 total cpu time spent up to now is 115.9 secs Computing kpt #: 200 total cpu time spent up to now is 116.5 secs Computing kpt #: 201 total cpu time spent up to now is 117.1 secs Computing kpt #: 202 total cpu time spent up to now is 117.6 secs Computing kpt #: 203 total cpu time spent up to now is 118.2 secs Computing kpt #: 204 total cpu time spent up to now is 118.7 secs Computing kpt #: 205 total cpu time spent up to now is 119.3 secs Computing kpt #: 206 total cpu time spent up to now is 119.8 secs Computing kpt #: 207 total cpu time spent up to now is 120.4 secs Computing kpt #: 208 total cpu time spent up to now is 121.0 secs Computing kpt #: 209 total cpu time spent up to now is 121.7 secs Computing kpt #: 210 total cpu time spent up to now is 122.3 secs Computing kpt #: 211 total cpu time spent up to now is 122.9 secs Computing kpt #: 212 total cpu time spent up to now is 123.6 secs Computing kpt #: 213 total cpu time spent up to now is 124.2 secs Computing kpt #: 214 total cpu time spent up to now is 124.9 secs Computing kpt #: 215 total cpu time spent up to now is 125.5 secs Computing kpt #: 216 total cpu time spent up to now is 126.2 secs Computing kpt #: 217 total cpu time spent up to now is 126.8 secs Computing kpt #: 218 total cpu time spent up to now is 127.5 secs Computing kpt #: 219 total cpu time spent up to now is 128.1 secs Computing kpt #: 220 total cpu time spent up to now is 128.8 secs Computing kpt #: 221 total cpu time spent up to now is 129.4 secs Computing kpt #: 222 total cpu time spent up to now is 130.0 secs Computing kpt #: 223 total cpu time spent up to now is 130.7 secs Computing kpt #: 224 total cpu time spent up to now is 131.3 secs Computing kpt #: 225 total cpu time spent up to now is 131.9 secs Computing kpt #: 226 total cpu time spent up to now is 132.5 secs Computing kpt #: 227 total cpu time spent up to now is 133.1 secs Computing kpt #: 228 total cpu time spent up to now is 133.7 secs Computing kpt #: 229 total cpu time spent up to now is 134.2 secs Computing kpt #: 230 total cpu time spent up to now is 134.8 secs Computing kpt #: 231 total cpu time spent up to now is 135.3 secs Computing kpt #: 232 total cpu time spent up to now is 135.9 secs Computing kpt #: 233 total cpu time spent up to now is 136.4 secs Computing kpt #: 234 total cpu time spent up to now is 137.0 secs Computing kpt #: 235 total cpu time spent up to now is 137.7 secs Computing kpt #: 236 total cpu time spent up to now is 138.3 secs Computing kpt #: 237 total cpu time spent up to now is 138.9 secs Computing kpt #: 238 total cpu time spent up to now is 139.5 secs Computing kpt #: 239 total cpu time spent up to now is 140.1 secs Computing kpt #: 240 total cpu time spent up to now is 140.8 secs Computing kpt #: 241 total cpu time spent up to now is 141.4 secs Computing kpt #: 242 total cpu time spent up to now is 142.0 secs Computing kpt #: 243 total cpu time spent up to now is 142.6 secs Computing kpt #: 244 total cpu time spent up to now is 143.2 secs Computing kpt #: 245 total cpu time spent up to now is 143.8 secs Computing kpt #: 246 total cpu time spent up to now is 144.4 secs Computing kpt #: 247 total cpu time spent up to now is 145.0 secs Computing kpt #: 248 total cpu time spent up to now is 145.7 secs Computing kpt #: 249 total cpu time spent up to now is 146.3 secs Computing kpt #: 250 total cpu time spent up to now is 146.9 secs Computing kpt #: 251 total cpu time spent up to now is 147.5 secs Computing kpt #: 252 total cpu time spent up to now is 148.1 secs Computing kpt #: 253 total cpu time spent up to now is 148.7 secs Computing kpt #: 254 total cpu time spent up to now is 149.4 secs Computing kpt #: 255 total cpu time spent up to now is 150.0 secs Computing kpt #: 256 total cpu time spent up to now is 150.6 secs Computing kpt #: 257 total cpu time spent up to now is 151.2 secs Computing kpt #: 258 total cpu time spent up to now is 151.8 secs Computing kpt #: 259 total cpu time spent up to now is 152.3 secs Computing kpt #: 260 total cpu time spent up to now is 152.9 secs Computing kpt #: 261 total cpu time spent up to now is 153.4 secs Computing kpt #: 262 total cpu time spent up to now is 154.0 secs Computing kpt #: 263 total cpu time spent up to now is 154.5 secs Computing kpt #: 264 total cpu time spent up to now is 155.1 secs Computing kpt #: 265 total cpu time spent up to now is 155.6 secs Computing kpt #: 266 total cpu time spent up to now is 156.2 secs Computing kpt #: 267 total cpu time spent up to now is 156.8 secs Computing kpt #: 268 total cpu time spent up to now is 157.4 secs Computing kpt #: 269 total cpu time spent up to now is 158.0 secs Computing kpt #: 270 total cpu time spent up to now is 158.5 secs Computing kpt #: 271 total cpu time spent up to now is 159.0 secs Computing kpt #: 272 total cpu time spent up to now is 159.5 secs Computing kpt #: 273 total cpu time spent up to now is 160.0 secs Computing kpt #: 274 total cpu time spent up to now is 160.5 secs Computing kpt #: 275 total cpu time spent up to now is 161.0 secs Computing kpt #: 276 total cpu time spent up to now is 161.6 secs Computing kpt #: 277 total cpu time spent up to now is 162.1 secs Computing kpt #: 278 total cpu time spent up to now is 162.6 secs Computing kpt #: 279 total cpu time spent up to now is 163.1 secs Computing kpt #: 280 total cpu time spent up to now is 163.6 secs Computing kpt #: 281 total cpu time spent up to now is 164.1 secs Computing kpt #: 282 total cpu time spent up to now is 164.7 secs Computing kpt #: 283 total cpu time spent up to now is 165.2 secs Computing kpt #: 284 total cpu time spent up to now is 165.7 secs Computing kpt #: 285 total cpu time spent up to now is 166.2 secs Computing kpt #: 286 total cpu time spent up to now is 166.7 secs Computing kpt #: 287 total cpu time spent up to now is 167.2 secs Computing kpt #: 288 total cpu time spent up to now is 167.8 secs Computing kpt #: 289 total cpu time spent up to now is 168.3 secs Computing kpt #: 290 total cpu time spent up to now is 168.8 secs Computing kpt #: 291 total cpu time spent up to now is 169.4 secs Computing kpt #: 292 total cpu time spent up to now is 169.9 secs Computing kpt #: 293 total cpu time spent up to now is 170.5 secs Computing kpt #: 294 total cpu time spent up to now is 171.1 secs Computing kpt #: 295 total cpu time spent up to now is 171.7 secs Computing kpt #: 296 total cpu time spent up to now is 172.3 secs Computing kpt #: 297 total cpu time spent up to now is 172.9 secs Computing kpt #: 298 total cpu time spent up to now is 173.6 secs Computing kpt #: 299 total cpu time spent up to now is 174.2 secs Computing kpt #: 300 total cpu time spent up to now is 174.8 secs Computing kpt #: 301 total cpu time spent up to now is 175.4 secs Computing kpt #: 302 total cpu time spent up to now is 176.0 secs Computing kpt #: 303 total cpu time spent up to now is 176.6 secs Computing kpt #: 304 total cpu time spent up to now is 177.2 secs Computing kpt #: 305 total cpu time spent up to now is 177.9 secs Computing kpt #: 306 total cpu time spent up to now is 178.5 secs Computing kpt #: 307 total cpu time spent up to now is 179.1 secs Computing kpt #: 308 total cpu time spent up to now is 179.7 secs Computing kpt #: 309 total cpu time spent up to now is 180.3 secs Computing kpt #: 310 total cpu time spent up to now is 181.0 secs Computing kpt #: 311 total cpu time spent up to now is 181.6 secs Computing kpt #: 312 total cpu time spent up to now is 182.3 secs Computing kpt #: 313 total cpu time spent up to now is 182.9 secs Computing kpt #: 314 total cpu time spent up to now is 183.5 secs Computing kpt #: 315 total cpu time spent up to now is 184.2 secs ethr = 2.08E-08, avg # of iterations = 20.9 total cpu time spent up to now is 184.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6131 PWs) bands (ev): -20.2010 -20.2010 -20.0322 -20.0322 -16.0713 -16.0713 -16.0675 -16.0675 -7.9103 -7.9103 -7.5235 -7.5235 -6.6771 -6.6771 -6.6047 -6.6047 -4.8853 -4.8853 -4.5923 -4.5923 -4.5768 -4.5768 -4.5707 -4.5707 1.9209 1.9209 2.0386 2.0386 2.0642 2.0642 2.1467 2.1467 2.5567 2.5567 2.6201 2.6201 3.5903 3.5903 4.0068 4.0068 4.2701 4.2701 4.5216 4.5216 5.0440 5.0440 5.0802 5.0802 9.7791 9.7791 10.3193 10.3193 11.0026 11.0026 11.3363 11.3363 11.4415 11.4415 k = 0.0000 0.0143-0.0000 ( 6147 PWs) bands (ev): -20.2009 -20.2009 -20.0322 -20.0322 -16.0715 -16.0715 -16.0677 -16.0677 -7.9103 -7.9103 -7.5240 -7.5240 -6.6768 -6.6768 -6.6046 -6.6046 -4.8849 -4.8849 -4.5927 -4.5927 -4.5768 -4.5768 -4.5706 -4.5706 1.9211 1.9211 2.0388 2.0388 2.0644 2.0644 2.1468 2.1468 2.5566 2.5566 2.6200 2.6200 3.5910 3.5910 4.0066 4.0066 4.2694 4.2694 4.5207 4.5207 5.0430 5.0430 5.0782 5.0782 9.7826 9.7826 10.3238 10.3238 11.0029 11.0029 11.3385 11.3385 11.4434 11.4434 k = 0.0000 0.0286-0.0000 ( 6143 PWs) bands (ev): -20.2004 -20.2004 -20.0322 -20.0322 -16.0719 -16.0719 -16.0681 -16.0681 -7.9102 -7.9102 -7.5257 -7.5257 -6.6758 -6.6758 -6.6043 -6.6043 -4.8836 -4.8836 -4.5939 -4.5939 -4.5768 -4.5768 -4.5702 -4.5702 1.9218 1.9218 2.0395 2.0395 2.0650 2.0650 2.1473 2.1473 2.5564 2.5564 2.6197 2.6197 3.5929 3.5929 4.0059 4.0059 4.2673 4.2673 4.5181 4.5181 5.0403 5.0403 5.0723 5.0723 9.7932 9.7932 10.3375 10.3375 11.0037 11.0037 11.3449 11.3449 11.4492 11.4492 k = 0.0000 0.0429-0.0000 ( 6143 PWs) bands (ev): -20.1996 -20.1996 -20.0322 -20.0322 -16.0725 -16.0725 -16.0688 -16.0688 -7.9102 -7.9102 -7.5283 -7.5283 -6.6741 -6.6741 -6.6038 -6.6038 -4.8815 -4.8815 -4.5959 -4.5959 -4.5768 -4.5768 -4.5697 -4.5697 1.9229 1.9229 2.0405 2.0405 2.0661 2.0661 2.1480 2.1480 2.5559 2.5559 2.6194 2.6194 3.5960 3.5960 4.0048 4.0048 4.2638 4.2638 4.5138 4.5138 5.0352 5.0352 5.0632 5.0632 9.8108 9.8108 10.3600 10.3600 11.0051 11.0051 11.3556 11.3556 11.4587 11.4587 k = 0.0000 0.0571-0.0000 ( 6141 PWs) bands (ev): -20.1984 -20.1984 -20.0322 -20.0322 -16.0735 -16.0735 -16.0699 -16.0699 -7.9102 -7.9102 -7.5321 -7.5321 -6.6719 -6.6719 -6.6032 -6.6032 -4.8787 -4.8787 -4.5985 -4.5985 -4.5770 -4.5770 -4.5691 -4.5691 1.9244 1.9244 2.0419 2.0419 2.0677 2.0677 2.1490 2.1490 2.5550 2.5550 2.6191 2.6191 3.6003 3.6003 4.0033 4.0033 4.2591 4.2591 4.5076 4.5076 5.0270 5.0270 5.0520 5.0520 9.8353 9.8353 10.3912 10.3912 11.0070 11.0070 11.3702 11.3702 11.4717 11.4717 k = 0.0000 0.0714-0.0000 ( 6133 PWs) bands (ev): -20.1969 -20.1969 -20.0322 -20.0322 -16.0747 -16.0747 -16.0711 -16.0711 -7.9101 -7.9101 -7.5368 -7.5368 -6.6690 -6.6690 -6.6024 -6.6024 -4.8751 -4.8751 -4.6016 -4.6016 -4.5773 -4.5773 -4.5682 -4.5682 1.9264 1.9264 2.0438 2.0438 2.0697 2.0697 2.1504 2.1504 2.5535 2.5535 2.6189 2.6189 3.6056 3.6056 4.0014 4.0014 4.2533 4.2533 4.4996 4.4996 5.0140 5.0140 5.0408 5.0408 9.8667 9.8667 10.4305 10.4305 11.0094 11.0094 11.3886 11.3886 11.4880 11.4880 k = 0.0000 0.0857-0.0000 ( 6133 PWs) bands (ev): -20.1952 -20.1952 -20.0322 -20.0322 -16.0762 -16.0762 -16.0727 -16.0727 -7.9100 -7.9100 -7.5424 -7.5424 -6.6657 -6.6657 -6.6014 -6.6014 -4.8707 -4.8707 -4.6051 -4.6051 -4.5778 -4.5778 -4.5673 -4.5673 1.9288 1.9288 2.0460 2.0460 2.0722 2.0722 2.1520 2.1520 2.5514 2.5514 2.6190 2.6190 3.6118 3.6118 3.9990 3.9990 4.2465 4.2465 4.4898 4.4898 4.9957 4.9957 5.0306 5.0306 9.9048 9.9048 10.4775 10.4775 11.0123 11.0123 11.4101 11.4101 11.5070 11.5070 k = 0.0000 0.1000-0.0000 ( 6115 PWs) bands (ev): -20.1931 -20.1931 -20.0322 -20.0322 -16.0778 -16.0778 -16.0745 -16.0745 -7.9098 -7.9098 -7.5488 -7.5488 -6.6620 -6.6620 -6.6002 -6.6002 -4.8657 -4.8657 -4.6090 -4.6090 -4.5785 -4.5785 -4.5662 -4.5662 1.9316 1.9316 2.0486 2.0486 2.0751 2.0751 2.1539 2.1539 2.5483 2.5483 2.6194 2.6194 3.6187 3.6187 3.9962 3.9962 4.2390 4.2390 4.4782 4.4782 4.9732 4.9732 5.0209 5.0209 9.9494 9.9494 10.5316 10.5316 11.0154 11.0154 11.4340 11.4340 11.5285 11.5285 k = 0.0000 0.1143-0.0000 ( 6115 PWs) bands (ev): -20.1907 -20.1907 -20.0323 -20.0323 -16.0798 -16.0798 -16.0765 -16.0765 -7.9095 -7.9095 -7.5560 -7.5560 -6.6579 -6.6579 -6.5989 -6.5989 -4.8600 -4.8600 -4.6132 -4.6132 -4.5794 -4.5794 -4.5651 -4.5651 1.9348 1.9348 2.0516 2.0516 2.0785 2.0785 2.1560 2.1560 2.5443 2.5443 2.6203 2.6203 3.6262 3.6262 3.9929 3.9929 4.2310 4.2310 4.4649 4.4649 4.9479 4.9479 5.0110 5.0110 10.0003 10.0003 10.5919 10.5919 11.0188 11.0188 11.4585 11.4585 11.5520 11.5520 k = 0.0000 0.1286-0.0000 ( 6117 PWs) bands (ev): -20.1881 -20.1881 -20.0323 -20.0323 -16.0819 -16.0819 -16.0787 -16.0787 -7.9092 -7.9092 -7.5640 -7.5640 -6.6535 -6.6535 -6.5975 -6.5975 -4.8538 -4.8538 -4.6177 -4.6177 -4.5805 -4.5805 -4.5638 -4.5638 1.9384 1.9384 2.0549 2.0549 2.0823 2.0823 2.1584 2.1584 2.5393 2.5393 2.6216 2.6216 3.6341 3.6341 3.9890 3.9890 4.2227 4.2227 4.4499 4.4499 4.9205 4.9205 5.0006 5.0006 10.0574 10.0574 10.6579 10.6579 11.0225 11.0225 11.4808 11.4808 11.5780 11.5780 k = 0.0000 0.1429-0.0000 ( 6115 PWs) bands (ev): -20.1852 -20.1852 -20.0324 -20.0324 -16.0842 -16.0842 -16.0812 -16.0812 -7.9088 -7.9088 -7.5725 -7.5725 -6.6490 -6.6490 -6.5958 -6.5958 -4.8471 -4.8471 -4.6224 -4.6224 -4.5817 -4.5817 -4.5624 -4.5624 1.9425 1.9425 2.0586 2.0586 2.0866 2.0866 2.1611 2.1611 2.5333 2.5333 2.6231 2.6231 3.6420 3.6420 3.9844 3.9844 4.2143 4.2143 4.4335 4.4335 4.8918 4.8918 4.9896 4.9896 10.1204 10.1204 10.7284 10.7284 11.0262 11.0262 11.4963 11.4963 11.6077 11.6077 k = 0.0000 0.1571-0.0000 ( 6107 PWs) bands (ev): -20.1820 -20.1820 -20.0326 -20.0326 -16.0868 -16.0868 -16.0838 -16.0838 -7.9082 -7.9082 -7.5815 -7.5815 -6.6444 -6.6444 -6.5941 -6.5941 -4.8399 -4.8399 -4.6274 -4.6274 -4.5830 -4.5830 -4.5610 -4.5610 1.9470 1.9470 2.0627 2.0627 2.0914 2.0914 2.1641 2.1641 2.5264 2.5264 2.6249 2.6249 3.6500 3.6500 3.9789 3.9789 4.2062 4.2062 4.4161 4.4161 4.8624 4.8624 4.9781 4.9781 10.1892 10.1892 10.8025 10.8025 11.0299 11.0299 11.5009 11.5009 11.6427 11.6427 k = 0.0000 0.1714-0.0000 ( 6099 PWs) bands (ev): -20.1785 -20.1785 -20.0328 -20.0328 -16.0894 -16.0894 -16.0866 -16.0866 -7.9075 -7.9075 -7.5911 -7.5911 -6.6397 -6.6397 -6.5922 -6.5922 -4.8325 -4.8325 -4.6325 -4.6325 -4.5844 -4.5844 -4.5594 -4.5594 1.9519 1.9519 2.0671 2.0671 2.0965 2.0965 2.1673 2.1673 2.5186 2.5186 2.6266 2.6266 3.6575 3.6575 3.9723 3.9723 4.1985 4.1985 4.3982 4.3982 4.8326 4.8326 4.9662 4.9662 10.2632 10.2632 10.8791 10.8791 11.0336 11.0336 11.4927 11.4927 11.6831 11.6831 k = 0.0000 0.1857-0.0000 ( 6109 PWs) bands (ev): -20.1749 -20.1749 -20.0330 -20.0330 -16.0923 -16.0923 -16.0895 -16.0895 -7.9067 -7.9067 -7.6009 -7.6009 -6.6351 -6.6351 -6.5901 -6.5901 -4.8248 -4.8248 -4.6377 -4.6377 -4.5859 -4.5859 -4.5578 -4.5578 1.9571 1.9571 2.0718 2.0718 2.1021 2.1021 2.1707 2.1707 2.5101 2.5101 2.6281 2.6281 3.6646 3.6646 3.9643 3.9643 4.1915 4.1915 4.3803 4.3803 4.8029 4.8029 4.9538 4.9538 10.3424 10.3424 10.9563 10.9563 11.0375 11.0375 11.4731 11.4731 11.7275 11.7275 k = 0.0000 0.2000-0.0000 ( 6117 PWs) bands (ev): -20.1710 -20.1710 -20.0334 -20.0334 -16.0952 -16.0952 -16.0925 -16.0925 -7.9056 -7.9056 -7.6111 -7.6111 -6.6306 -6.6306 -6.5880 -6.5880 -4.8169 -4.8169 -4.6430 -4.6430 -4.5872 -4.5872 -4.5562 -4.5562 1.9628 1.9628 2.0768 2.0768 2.1080 2.1080 2.1743 2.1743 2.5009 2.5009 2.6292 2.6292 3.6710 3.6710 3.9546 3.9546 4.1853 4.1853 4.3632 4.3632 4.7735 4.7735 4.9410 4.9410 10.4263 10.4263 11.0257 11.0257 11.0484 11.0484 11.4448 11.4448 11.7690 11.7690 k = 0.0000 0.2143-0.0000 ( 6113 PWs) bands (ev): -20.1670 -20.1670 -20.0338 -20.0338 -16.0982 -16.0982 -16.0956 -16.0956 -7.9044 -7.9044 -7.6216 -7.6216 -6.6262 -6.6262 -6.5858 -6.5858 -4.8090 -4.8090 -4.6484 -4.6484 -4.5885 -4.5885 -4.5545 -4.5545 1.9690 1.9690 2.0820 2.0820 2.1142 2.1142 2.1782 2.1782 2.4911 2.4911 2.6298 2.6298 3.6765 3.6765 3.9431 3.9431 4.1799 4.1799 4.3477 4.3477 4.7446 4.7446 4.9280 4.9280 10.5146 10.5146 11.0387 11.0387 11.1129 11.1129 11.4107 11.4107 11.7272 11.7272 k = 0.0000 0.2286-0.0000 ( 6113 PWs) bands (ev): -20.1627 -20.1627 -20.0343 -20.0343 -16.1013 -16.1013 -16.0988 -16.0988 -7.9029 -7.9029 -7.6322 -7.6322 -6.6221 -6.6221 -6.5836 -6.5836 -4.8011 -4.8011 -4.6537 -4.6537 -4.5896 -4.5896 -4.5528 -4.5528 1.9755 1.9755 2.0875 2.0875 2.1208 2.1208 2.1823 2.1823 2.4809 2.4809 2.6296 2.6296 3.6810 3.6810 3.9296 3.9296 4.1752 4.1752 4.3347 4.3347 4.7164 4.7164 4.9147 4.9147 10.6067 10.6067 11.0406 11.0406 11.1832 11.1832 11.3735 11.3735 11.6581 11.6581 k = 0.0000 0.2429-0.0000 ( 6113 PWs) bands (ev): -20.1583 -20.1583 -20.0350 -20.0350 -16.1045 -16.1045 -16.1020 -16.1020 -7.9012 -7.9012 -7.6429 -7.6429 -6.6181 -6.6181 -6.5814 -6.5814 -4.7934 -4.7934 -4.6591 -4.6591 -4.5904 -4.5904 -4.5511 -4.5511 1.9825 1.9825 2.0932 2.0932 2.1277 2.1277 2.1866 2.1866 2.4702 2.4702 2.6284 2.6284 3.6845 3.6845 3.9142 3.9142 4.1708 4.1708 4.3247 4.3247 4.6890 4.6890 4.9012 4.9012 10.7021 10.7021 11.0408 11.0408 11.2450 11.2450 11.3374 11.3374 11.5925 11.5925 k = 0.0000 0.2571-0.0000 ( 6107 PWs) bands (ev): -20.1538 -20.1538 -20.0357 -20.0357 -16.1077 -16.1077 -16.1053 -16.1053 -7.8992 -7.8992 -7.6537 -7.6537 -6.6143 -6.6143 -6.5791 -6.5791 -4.7859 -4.7859 -4.6644 -4.6644 -4.5909 -4.5909 -4.5495 -4.5495 1.9899 1.9899 2.0990 2.0990 2.1348 2.1348 2.1911 2.1911 2.4593 2.4593 2.6261 2.6261 3.6869 3.6869 3.8972 3.8972 4.1665 4.1665 4.3184 4.3184 4.6626 4.6626 4.8876 4.8876 10.7999 10.7999 11.0395 11.0395 11.2703 11.2703 11.3286 11.3286 11.5327 11.5327 k = 0.0000 0.2714-0.0000 ( 6103 PWs) bands (ev): -20.1491 -20.1491 -20.0366 -20.0366 -16.1108 -16.1108 -16.1085 -16.1085 -7.8970 -7.8970 -7.6645 -7.6645 -6.6108 -6.6108 -6.5770 -6.5770 -4.7788 -4.7788 -4.6696 -4.6696 -4.5911 -4.5911 -4.5479 -4.5479 1.9977 1.9977 2.1048 2.1048 2.1422 2.1422 2.1958 2.1958 2.4481 2.4481 2.6225 2.6225 3.6882 3.6882 3.8789 3.8789 4.1623 4.1623 4.3156 4.3156 4.6373 4.6373 4.8738 4.8738 10.8982 10.8982 11.0372 11.0372 11.2395 11.2395 11.3642 11.3642 11.4819 11.4819 k = 0.0000 0.2857-0.0000 ( 6101 PWs) bands (ev): -20.1444 -20.1444 -20.0376 -20.0376 -16.1140 -16.1140 -16.1117 -16.1117 -7.8944 -7.8944 -7.6753 -7.6753 -6.6074 -6.6074 -6.5750 -6.5750 -4.7722 -4.7722 -4.6747 -4.6747 -4.5908 -4.5908 -4.5463 -4.5463 2.0059 2.0059 2.1107 2.1107 2.1499 2.1499 2.2008 2.2008 2.4367 2.4367 2.6174 2.6174 3.6884 3.6884 3.8599 3.8599 4.1581 4.1581 4.3163 4.3163 4.6134 4.6134 4.8599 4.8599 10.9865 10.9865 11.0422 11.0422 11.2002 11.2002 11.3878 11.3878 11.4500 11.4500 k = 0.0000 0.3000-0.0000 ( 6095 PWs) bands (ev): -20.1395 -20.1395 -20.0388 -20.0388 -16.1170 -16.1170 -16.1148 -16.1148 -7.8916 -7.8916 -7.6860 -7.6860 -6.6042 -6.6042 -6.5731 -6.5731 -4.7661 -4.7661 -4.6796 -4.6796 -4.5900 -4.5900 -4.5449 -4.5449 2.0146 2.0146 2.1165 2.1165 2.1578 2.1578 2.2059 2.2059 2.4253 2.4253 2.6106 2.6106 3.6876 3.6876 3.8408 3.8408 4.1543 4.1543 4.3194 4.3194 4.5911 4.5911 4.8459 4.8459 11.0071 11.0071 11.1076 11.1076 11.1605 11.1605 11.3800 11.3800 11.4527 11.4527 k = 0.0000 0.3143-0.0000 ( 6097 PWs) bands (ev): -20.1346 -20.1346 -20.0401 -20.0401 -16.1200 -16.1200 -16.1178 -16.1178 -7.8885 -7.8885 -7.6966 -7.6966 -6.6012 -6.6012 -6.5714 -6.5714 -4.7605 -4.7605 -4.6844 -4.6844 -4.5887 -4.5887 -4.5436 -4.5436 2.0237 2.0237 2.1220 2.1220 2.1659 2.1659 2.2113 2.2113 2.4139 2.4139 2.6022 2.6022 3.6860 3.6860 3.8220 3.8220 4.1510 4.1510 4.3242 4.3242 4.5709 4.5709 4.8319 4.8319 10.9962 10.9962 11.1202 11.1202 11.1868 11.1868 11.3766 11.3766 11.4650 11.4650 k = 0.0000 0.3286-0.0000 ( 6089 PWs) bands (ev): -20.1297 -20.1297 -20.0416 -20.0416 -16.1229 -16.1229 -16.1208 -16.1208 -7.8850 -7.8850 -7.7071 -7.7071 -6.5983 -6.5983 -6.5699 -6.5699 -4.7555 -4.7555 -4.6890 -4.6890 -4.5870 -4.5870 -4.5425 -4.5425 2.0331 2.0331 2.1274 2.1274 2.1743 2.1743 2.2169 2.2169 2.4025 2.4025 2.5921 2.5921 3.6836 3.6836 3.8041 3.8041 4.1485 4.1485 4.3292 4.3292 4.5535 4.5535 4.8177 4.8177 10.9792 10.9792 11.0819 11.0819 11.2294 11.2294 11.4141 11.4141 11.4740 11.4740 k = 0.0000 0.3429-0.0000 ( 6085 PWs) bands (ev): -20.1247 -20.1247 -20.0433 -20.0433 -16.1256 -16.1256 -16.1236 -16.1236 -7.8812 -7.8812 -7.7175 -7.7175 -6.5956 -6.5956 -6.5687 -6.5687 -4.7512 -4.7512 -4.6934 -4.6934 -4.5848 -4.5848 -4.5415 -4.5415 2.0428 2.0428 2.1323 2.1323 2.1829 2.1829 2.2230 2.2230 2.3913 2.3913 2.5801 2.5801 3.6806 3.6806 3.7873 3.7873 4.1472 4.1472 4.3332 4.3332 4.5396 4.5396 4.8034 4.8034 10.9587 10.9587 11.0446 11.0446 11.2374 11.2374 11.4585 11.4585 11.5108 11.5108 k = 0.0000 0.3571-0.0000 ( 6077 PWs) bands (ev): -20.1198 -20.1198 -20.0452 -20.0452 -16.1281 -16.1281 -16.1262 -16.1262 -7.8771 -7.8771 -7.7277 -7.7277 -6.5930 -6.5930 -6.5677 -6.5677 -4.7474 -4.7474 -4.6975 -4.6975 -4.5821 -4.5821 -4.5408 -4.5408 2.0528 2.0528 2.1368 2.1368 2.1916 2.1916 2.2295 2.2295 2.3804 2.3804 2.5664 2.5664 3.6772 3.6772 3.7719 3.7719 4.1470 4.1470 4.3349 4.3349 4.5303 4.5303 4.7890 4.7890 10.9362 10.9362 11.0090 11.0090 11.2351 11.2351 11.4568 11.4568 11.6031 11.6031 k = 0.0000 0.3714-0.0000 ( 6065 PWs) bands (ev): -20.1149 -20.1149 -20.0472 -20.0472 -16.1305 -16.1305 -16.1287 -16.1287 -7.8726 -7.8726 -7.7378 -7.7378 -6.5905 -6.5905 -6.5671 -6.5671 -4.7441 -4.7441 -4.7015 -4.7015 -4.5791 -4.5791 -4.5402 -4.5402 2.0629 2.0629 2.1407 2.1407 2.2004 2.2004 2.2365 2.2365 2.3698 2.3698 2.5512 2.5512 3.6739 3.6739 3.7579 3.7579 4.1482 4.1482 4.3330 4.3330 4.5262 4.5262 4.7744 4.7744 10.9131 10.9131 10.9754 10.9754 11.2323 11.2323 11.4459 11.4459 11.7001 11.7001 k = 0.0000 0.3857-0.0000 ( 6059 PWs) bands (ev): -20.1100 -20.1100 -20.0494 -20.0494 -16.1327 -16.1327 -16.1310 -16.1310 -7.8678 -7.8678 -7.7476 -7.7476 -6.5880 -6.5880 -6.5666 -6.5666 -4.7413 -4.7413 -4.7052 -4.7052 -4.5758 -4.5758 -4.5400 -4.5400 2.0730 2.0730 2.1439 2.1439 2.2091 2.2091 2.2442 2.2442 2.3597 2.3597 2.5344 2.5344 3.6708 3.6708 3.7452 3.7452 4.1508 4.1508 4.3273 4.3273 4.5274 4.5274 4.7597 4.7597 10.8905 10.8905 10.9442 10.9442 11.2312 11.2312 11.4310 11.4310 11.7756 11.7756 k = 0.0000 0.4000-0.0000 ( 6063 PWs) bands (ev): -20.1052 -20.1052 -20.0519 -20.0519 -16.1346 -16.1346 -16.1331 -16.1331 -7.8627 -7.8627 -7.7572 -7.7572 -6.5857 -6.5857 -6.5665 -6.5665 -4.7389 -4.7389 -4.7086 -4.7086 -4.5723 -4.5723 -4.5400 -4.5400 2.0830 2.0830 2.1464 2.1464 2.2176 2.2176 2.2526 2.2526 2.3504 2.3504 2.5163 2.5163 3.6682 3.6682 3.7338 3.7338 4.1549 4.1549 4.3181 4.3181 4.5334 4.5334 4.7447 4.7447 10.8695 10.8695 10.9157 10.9157 11.2323 11.2323 11.4138 11.4138 11.8071 11.8071 k = 0.0000 0.4143-0.0000 ( 6076 PWs) bands (ev): -20.1004 -20.1004 -20.0545 -20.0545 -16.1363 -16.1363 -16.1350 -16.1350 -7.8572 -7.8572 -7.7666 -7.7666 -6.5835 -6.5835 -6.5666 -6.5666 -4.7367 -4.7367 -4.7118 -4.7118 -4.5687 -4.5687 -4.5403 -4.5403 2.0927 2.0927 2.1481 2.1481 2.2258 2.2258 2.2616 2.2616 2.3422 2.3422 2.4972 2.4972 3.6665 3.6665 3.7234 3.7234 4.1603 4.1603 4.3063 4.3063 4.5431 4.5431 4.7295 4.7295 10.8507 10.8507 10.8900 10.8900 11.2355 11.2355 11.3953 11.3953 11.8261 11.8261 k = 0.0000 0.4286-0.0000 ( 6080 PWs) bands (ev): -20.0958 -20.0958 -20.0574 -20.0574 -16.1377 -16.1377 -16.1366 -16.1366 -7.8514 -7.8514 -7.7757 -7.7757 -6.5813 -6.5813 -6.5670 -6.5670 -4.7349 -4.7349 -4.7148 -4.7148 -4.5651 -4.5651 -4.5410 -4.5410 2.1020 2.1020 2.1489 2.1489 2.2336 2.2336 2.2705 2.2705 2.3361 2.3361 2.4774 2.4774 3.6657 3.6657 3.7140 3.7140 4.1672 4.1672 4.2927 4.2927 4.5555 4.5555 4.7141 4.7141 10.8347 10.8347 10.8675 10.8675 11.2405 11.2405 11.3763 11.3763 11.8446 11.8446 k = 0.0000 0.4429-0.0000 ( 6080 PWs) bands (ev): -20.0912 -20.0912 -20.0604 -20.0604 -16.1389 -16.1389 -16.1380 -16.1380 -7.8452 -7.8452 -7.7846 -7.7846 -6.5793 -6.5793 -6.5676 -6.5676 -4.7331 -4.7331 -4.7175 -4.7175 -4.5616 -4.5616 -4.5420 -4.5420 2.1108 2.1108 2.1487 2.1487 2.2411 2.2411 2.2776 2.2776 2.3336 2.3336 2.4571 2.4571 3.6660 3.6660 3.7053 3.7053 4.1754 4.1754 4.2782 4.2782 4.5696 4.5696 4.6985 4.6985 10.8218 10.8218 10.8482 10.8482 11.2474 11.2474 11.3575 11.3575 11.8648 11.8648 k = 0.0000 0.4571-0.0000 ( 6074 PWs) bands (ev): -20.0868 -20.0868 -20.0636 -20.0636 -16.1398 -16.1398 -16.1391 -16.1391 -7.8387 -7.8387 -7.7932 -7.7932 -6.5773 -6.5773 -6.5684 -6.5684 -4.7314 -4.7314 -4.7200 -4.7200 -4.5582 -4.5582 -4.5433 -4.5433 2.1189 2.1189 2.1476 2.1476 2.2483 2.2483 2.2806 2.2806 2.3370 2.3370 2.4366 2.4366 3.6675 3.6675 3.6974 3.6974 4.1850 4.1850 4.2633 4.2633 4.5849 4.5849 4.6826 4.6826 10.8124 10.8124 10.8323 10.8323 11.2559 11.2559 11.3393 11.3393 11.8870 11.8870 k = 0.0000 0.4714-0.0000 ( 6076 PWs) bands (ev): -20.0825 -20.0825 -20.0670 -20.0670 -16.1404 -16.1404 -16.1399 -16.1399 -7.8319 -7.8319 -7.8015 -7.8015 -6.5755 -6.5755 -6.5695 -6.5695 -4.7298 -4.7298 -4.7223 -4.7223 -4.5550 -4.5550 -4.5450 -4.5450 2.1261 2.1261 2.1454 2.1454 2.2553 2.2553 2.2791 2.2791 2.3468 2.3468 2.4163 2.4163 3.6701 3.6701 3.6903 3.6903 4.1957 4.1957 4.2485 4.2485 4.6009 4.6009 4.6665 4.6665 10.8065 10.8065 10.8198 10.8198 11.2661 11.2661 11.3220 11.3220 11.9115 11.9115 k = 0.0000 0.4857-0.0000 ( 6082 PWs) bands (ev): -20.0784 -20.0784 -20.0706 -20.0706 -16.1407 -16.1407 -16.1405 -16.1405 -7.8248 -7.8248 -7.8096 -7.8096 -6.5737 -6.5737 -6.5707 -6.5707 -4.7281 -4.7281 -4.7244 -4.7244 -4.5520 -4.5520 -4.5470 -4.5470 2.1324 2.1324 2.1421 2.1421 2.2622 2.2622 2.2746 2.2746 2.3610 2.3610 2.3967 2.3967 3.6737 3.6737 3.6839 3.6839 4.2076 4.2076 4.2342 4.2342 4.6173 4.6173 4.6502 4.6502 10.8043 10.8043 10.8110 10.8110 11.2779 11.2779 11.3059 11.3059 11.9383 11.9383 k = 0.0000 0.5000-0.0000 ( 6076 PWs) bands (ev): -20.0744 -20.0744 -20.0744 -20.0744 -16.1407 -16.1407 -16.1407 -16.1407 -7.8173 -7.8173 -7.8173 -7.8173 -6.5722 -6.5722 -6.5722 -6.5722 -4.7263 -4.7263 -4.7263 -4.7263 -4.5493 -4.5493 -4.5493 -4.5493 2.1378 2.1378 2.1378 2.1378 2.2687 2.2687 2.2687 2.2687 2.3780 2.3780 2.3780 2.3780 3.6784 3.6784 3.6784 3.6784 4.2205 4.2205 4.2205 4.2205 4.6337 4.6337 4.6337 4.6337 10.8058 10.8058 10.8058 10.8058 11.2912 11.2912 11.2912 11.2912 11.9672 11.9672 k = 0.0000 0.5000-0.0000 ( 6076 PWs) bands (ev): -20.0744 -20.0744 -20.0744 -20.0744 -16.1407 -16.1407 -16.1407 -16.1407 -7.8173 -7.8173 -7.8173 -7.8173 -6.5722 -6.5722 -6.5722 -6.5722 -4.7263 -4.7263 -4.7263 -4.7263 -4.5493 -4.5493 -4.5493 -4.5493 2.1378 2.1378 2.1378 2.1378 2.2687 2.2687 2.2687 2.2687 2.3780 2.3780 2.3780 2.3780 3.6784 3.6784 3.6784 3.6784 4.2205 4.2205 4.2205 4.2205 4.6337 4.6337 4.6337 4.6337 10.8058 10.8058 10.8058 10.8058 11.2912 11.2912 11.2912 11.2912 11.9672 11.9672 k = 0.0143 0.5000-0.0000 ( 6080 PWs) bands (ev): -20.0743 -20.0743 -20.0743 -20.0743 -16.1410 -16.1410 -16.1408 -16.1408 -7.8170 -7.8170 -7.8169 -7.8169 -6.5776 -6.5776 -6.5672 -6.5672 -4.7369 -4.7369 -4.7160 -4.7160 -4.5528 -4.5528 -4.5466 -4.5466 2.1359 2.1359 2.1402 2.1402 2.2579 2.2579 2.2766 2.2766 2.3704 2.3704 2.3896 2.3896 3.6701 3.6701 3.6838 3.6838 4.2077 4.2077 4.2354 4.2354 4.6292 4.6292 4.6382 4.6382 10.8048 10.8048 10.8083 10.8083 11.2906 11.2906 11.2913 11.2913 11.9693 11.9693 k = 0.0286 0.5000-0.0000 ( 6082 PWs) bands (ev): -20.0741 -20.0741 -20.0741 -20.0741 -16.1415 -16.1415 -16.1411 -16.1411 -7.8160 -7.8160 -7.8158 -7.8158 -6.5835 -6.5835 -6.5628 -6.5628 -4.7479 -4.7479 -4.7062 -4.7062 -4.5569 -4.5569 -4.5445 -4.5445 2.1345 2.1345 2.1431 2.1431 2.2460 2.2460 2.2797 2.2797 2.3688 2.3688 2.4037 2.4037 3.6594 3.6594 3.6861 3.6861 4.1973 4.1973 4.2521 4.2521 4.6247 4.6247 4.6426 4.6426 10.8055 10.8055 10.8123 10.8123 11.2895 11.2895 11.2912 11.2912 11.9754 11.9755 k = 0.0429 0.5000-0.0000 ( 6086 PWs) bands (ev): -20.0737 -20.0737 -20.0737 -20.0737 -16.1423 -16.1423 -16.1417 -16.1417 -7.8143 -7.8143 -7.8140 -7.8140 -6.5899 -6.5899 -6.5590 -6.5590 -4.7590 -4.7590 -4.6970 -4.6970 -4.5616 -4.5616 -4.5431 -4.5431 2.1332 2.1332 2.1465 2.1465 2.2343 2.2343 2.2771 2.2771 2.3740 2.3740 2.4190 2.4190 3.6465 3.6465 3.6853 3.6853 4.1894 4.1894 4.2704 4.2704 4.6199 4.6199 4.6470 4.6470 10.8078 10.8078 10.8178 10.8178 11.2880 11.2880 11.2907 11.2907 11.9856 11.9857 k = 0.0571 0.5000-0.0000 ( 6080 PWs) bands (ev): -20.0731 -20.0731 -20.0731 -20.0731 -16.1434 -16.1434 -16.1426 -16.1426 -7.8119 -7.8119 -7.8115 -7.8115 -6.5966 -6.5966 -6.5558 -6.5558 -4.7702 -4.7702 -4.6884 -4.6884 -4.5667 -4.5667 -4.5425 -4.5425 2.1320 2.1320 2.1503 2.1503 2.2236 2.2236 2.2704 2.2704 2.3845 2.3845 2.4352 2.4352 3.6319 3.6319 3.6813 3.6813 4.1839 4.1839 4.2898 4.2898 4.6151 4.6151 4.6515 4.6515 10.8118 10.8118 10.8247 10.8247 11.2863 11.2863 11.2902 11.2902 11.9994 11.9994 k = 0.0714 0.5000-0.0000 ( 6092 PWs) bands (ev): -20.0723 -20.0723 -20.0723 -20.0723 -16.1448 -16.1448 -16.1437 -16.1437 -7.8088 -7.8088 -7.8083 -7.8083 -6.6036 -6.6036 -6.5533 -6.5533 -4.7814 -4.7814 -4.6807 -4.6807 -4.5724 -4.5724 -4.5425 -4.5425 2.1303 2.1303 2.1543 2.1543 2.2145 2.2145 2.2618 2.2618 2.3981 2.3981 2.4517 2.4517 3.6159 3.6159 3.6744 3.6744 4.1806 4.1806 4.3100 4.3100 4.6099 4.6099 4.6560 4.6560 10.8176 10.8176 10.8331 10.8331 11.2844 11.2844 11.2898 11.2898 12.0165 12.0165 k = 0.0857 0.5000-0.0000 ( 6086 PWs) bands (ev): -20.0714 -20.0714 -20.0714 -20.0714 -16.1464 -16.1464 -16.1452 -16.1452 -7.8051 -7.8051 -7.8045 -7.8045 -6.6108 -6.6108 -6.5515 -6.5515 -4.7926 -4.7926 -4.6739 -4.6739 -4.5784 -4.5784 -4.5434 -4.5434 2.1278 2.1278 2.1583 2.1583 2.2079 2.2079 2.2532 2.2532 2.4135 2.4135 2.4684 2.4684 3.5988 3.5988 3.6650 3.6650 4.1793 4.1793 4.3306 4.3306 4.6045 4.6045 4.6604 4.6604 10.8250 10.8250 10.8428 10.8428 11.2826 11.2826 11.2898 11.2898 12.0366 12.0366 k = 0.1000 0.5000-0.0000 ( 6098 PWs) bands (ev): -20.0704 -20.0704 -20.0704 -20.0704 -16.1482 -16.1482 -16.1468 -16.1468 -7.8007 -7.8007 -7.8001 -7.8001 -6.6183 -6.6183 -6.5504 -6.5504 -4.8035 -4.8035 -4.6683 -4.6683 -4.5845 -4.5845 -4.5449 -4.5449 2.1241 2.1241 2.1615 2.1615 2.2041 2.2041 2.2458 2.2458 2.4296 2.4296 2.4849 2.4849 3.5811 3.5811 3.6533 3.6533 4.1794 4.1794 4.3514 4.3514 4.5987 4.5987 4.6649 4.6649 10.8343 10.8343 10.8540 10.8540 11.2809 11.2809 11.2902 11.2902 12.0593 12.0593 k = 0.1143 0.5000-0.0000 ( 6090 PWs) bands (ev): -20.0692 -20.0692 -20.0692 -20.0692 -16.1503 -16.1503 -16.1487 -16.1487 -7.7957 -7.7957 -7.7950 -7.7950 -6.6259 -6.6259 -6.5501 -6.5501 -4.8142 -4.8142 -4.6639 -4.6639 -4.5907 -4.5907 -4.5472 -4.5472 2.1192 2.1192 2.1634 2.1634 2.2034 2.2034 2.2408 2.2408 2.4461 2.4461 2.5012 2.5012 3.5630 3.5630 3.6399 3.6399 4.1807 4.1807 4.3719 4.3719 4.5925 4.5925 4.6692 4.6692 10.8454 10.8454 10.8664 10.8664 11.2796 11.2796 11.2912 11.2912 12.0844 12.0844 k = 0.1286 0.5000-0.0000 ( 6094 PWs) bands (ev): -20.0679 -20.0679 -20.0679 -20.0679 -16.1525 -16.1525 -16.1508 -16.1508 -7.7901 -7.7901 -7.7894 -7.7894 -6.6336 -6.6336 -6.5505 -6.5505 -4.8246 -4.8246 -4.6611 -4.6611 -4.5966 -4.5966 -4.5501 -4.5501 2.1133 2.1133 2.1632 2.1632 2.2055 2.2055 2.2392 2.2392 2.4626 2.4626 2.5172 2.5172 3.5449 3.5449 3.6252 3.6252 4.1827 4.1827 4.3920 4.3920 4.5860 4.5860 4.6735 4.6735 10.8582 10.8582 10.8802 10.8802 11.2788 11.2788 11.2930 11.2930 12.1116 12.1116 k = 0.1429 0.5000-0.0000 ( 6098 PWs) bands (ev): -20.0665 -20.0665 -20.0664 -20.0664 -16.1550 -16.1550 -16.1532 -16.1532 -7.7839 -7.7839 -7.7832 -7.7832 -6.6414 -6.6414 -6.5517 -6.5517 -4.8346 -4.8346 -4.6602 -4.6602 -4.6020 -4.6020 -4.5537 -4.5537 2.1069 2.1069 2.1605 2.1605 2.2101 2.2101 2.2414 2.2414 2.4788 2.4788 2.5327 2.5327 3.5268 3.5268 3.6096 3.6096 4.1851 4.1851 4.4112 4.4112 4.5791 4.5791 4.6776 4.6776 10.8728 10.8728 10.8952 10.8952 11.2788 11.2788 11.2956 11.2956 12.1407 12.1407 k = 0.1571 0.5000-0.0000 ( 6092 PWs) bands (ev): -20.0649 -20.0649 -20.0649 -20.0649 -16.1576 -16.1576 -16.1557 -16.1557 -7.7772 -7.7772 -7.7765 -7.7765 -6.6491 -6.6491 -6.5536 -6.5536 -4.8441 -4.8441 -4.6613 -4.6613 -4.6065 -4.6065 -4.5580 -4.5580 2.1004 2.1004 2.1558 2.1558 2.2168 2.2168 2.2470 2.2470 2.4947 2.4947 2.5475 2.5475 3.5091 3.5091 3.5935 3.5935 4.1874 4.1874 4.4294 4.4294 4.5719 4.5719 4.6815 4.6815 10.8890 10.8890 10.9115 10.9115 11.2795 11.2795 11.2992 11.2992 12.1716 12.1716 k = 0.1714 0.5000-0.0000 ( 6100 PWs) bands (ev): -20.0633 -20.0633 -20.0633 -20.0633 -16.1604 -16.1604 -16.1584 -16.1584 -7.7701 -7.7701 -7.7694 -7.7694 -6.6568 -6.6568 -6.5564 -6.5564 -4.8531 -4.8531 -4.6646 -4.6646 -4.6101 -4.6101 -4.5629 -4.5629 2.0941 2.0941 2.1499 2.1499 2.2252 2.2252 2.2554 2.2554 2.5099 2.5099 2.5617 2.5617 3.4920 3.4920 3.5772 3.5772 4.1896 4.1896 4.4459 4.4459 4.5648 4.5648 4.6851 4.6851 10.9068 10.9068 10.9289 10.9289 11.2813 11.2813 11.3038 11.3038 12.2040 12.2040 k = 0.1857 0.5000-0.0000 ( 6088 PWs) bands (ev): -20.0615 -20.0615 -20.0615 -20.0615 -16.1634 -16.1634 -16.1612 -16.1612 -7.7624 -7.7624 -7.7618 -7.7618 -6.6645 -6.6645 -6.5598 -6.5598 -4.8615 -4.8615 -4.6698 -4.6698 -4.6130 -4.6130 -4.5683 -4.5683 2.0882 2.0882 2.1434 2.1434 2.2351 2.2351 2.2659 2.2659 2.5245 2.5245 2.5751 2.5751 3.4756 3.4756 3.5612 3.5612 4.1913 4.1913 4.4601 4.4601 4.5582 4.5582 4.6884 4.6884 10.9260 10.9260 10.9474 10.9474 11.2844 11.2844 11.3096 11.3096 12.2380 12.2380 k = 0.2000 0.5000-0.0000 ( 6088 PWs) bands (ev): -20.0597 -20.0597 -20.0597 -20.0597 -16.1664 -16.1664 -16.1642 -16.1642 -7.7544 -7.7544 -7.7538 -7.7538 -6.6719 -6.6719 -6.5640 -6.5640 -4.8692 -4.8692 -4.6765 -4.6765 -4.6155 -4.6155 -4.5742 -4.5742 2.0828 2.0828 2.1369 2.1369 2.2463 2.2463 2.2779 2.2779 2.5383 2.5383 2.5877 2.5877 3.4601 3.4601 3.5454 3.5454 4.1924 4.1924 4.4709 4.4709 4.5532 4.5532 4.6913 4.6913 10.9463 10.9463 10.9667 10.9667 11.2889 11.2889 11.3167 11.3167 12.2734 12.2734 k = 0.2143 0.5000-0.0000 ( 6080 PWs) bands (ev): -20.0579 -20.0579 -20.0579 -20.0579 -16.1695 -16.1695 -16.1672 -16.1672 -7.7460 -7.7460 -7.7455 -7.7455 -6.6792 -6.6792 -6.5689 -6.5689 -4.8763 -4.8763 -4.6844 -4.6844 -4.6178 -4.6178 -4.5806 -4.5806 2.0780 2.0780 2.1304 2.1304 2.2587 2.2587 2.2912 2.2912 2.5512 2.5512 2.5994 2.5994 3.4455 3.4455 3.5303 3.5303 4.1929 4.1929 4.4767 4.4767 4.5511 4.5511 4.6937 4.6937 10.9675 10.9675 10.9867 10.9867 11.2953 11.2953 11.3252 11.3252 12.3102 12.3102 k = 0.2286 0.5000-0.0000 ( 6076 PWs) bands (ev): -20.0560 -20.0560 -20.0560 -20.0560 -16.1727 -16.1727 -16.1704 -16.1704 -7.7373 -7.7373 -7.7369 -7.7369 -6.6862 -6.6862 -6.5744 -6.5744 -4.8826 -4.8826 -4.6931 -4.6931 -4.6203 -4.6203 -4.5874 -4.5874 2.0738 2.0738 2.1243 2.1243 2.2722 2.2722 2.3055 2.3055 2.5633 2.5633 2.6102 2.6102 3.4321 3.4321 3.5159 3.5159 4.1927 4.1927 4.4765 4.4765 4.5531 4.5531 4.6957 4.6957 10.9891 10.9891 11.0069 11.0069 11.3038 11.3038 11.3355 11.3355 12.3484 12.3484 k = 0.2429 0.5000-0.0000 ( 6068 PWs) bands (ev): -20.0541 -20.0541 -20.0541 -20.0541 -16.1759 -16.1759 -16.1736 -16.1736 -7.7284 -7.7284 -7.7281 -7.7281 -6.6930 -6.6930 -6.5806 -6.5806 -4.8881 -4.8881 -4.7023 -4.7023 -4.6232 -4.6232 -4.5946 -4.5946 2.0703 2.0703 2.1187 2.1187 2.2866 2.2866 2.3206 2.3206 2.5744 2.5744 2.6199 2.6199 3.4199 3.4199 3.5024 3.5024 4.1917 4.1917 4.4706 4.4706 4.5587 4.5587 4.6970 4.6970 11.0107 11.0107 11.0272 11.0272 11.3149 11.3149 11.3478 11.3478 12.3877 12.3877 k = 0.2571 0.5000-0.0000 ( 6066 PWs) bands (ev): -20.0521 -20.0521 -20.0521 -20.0521 -16.1791 -16.1791 -16.1768 -16.1768 -7.7193 -7.7193 -7.7191 -7.7191 -6.6994 -6.6994 -6.5873 -6.5873 -4.8929 -4.8929 -4.7119 -4.7119 -4.6265 -4.6265 -4.6020 -4.6020 2.0673 2.0673 2.1134 2.1134 2.3018 2.3018 2.3363 2.3363 2.5845 2.5845 2.6287 2.6287 3.4089 3.4089 3.4898 3.4898 4.1901 4.1901 4.4608 4.4608 4.5662 4.5662 4.6978 4.6978 11.0317 11.0317 11.0471 11.0471 11.3289 11.3289 11.3624 11.3624 12.4282 12.4282 k = 0.2714 0.5000-0.0000 ( 6066 PWs) bands (ev): -20.0502 -20.0502 -20.0502 -20.0502 -16.1823 -16.1823 -16.1800 -16.1800 -7.7101 -7.7101 -7.7100 -7.7100 -6.7054 -6.7054 -6.5946 -6.5946 -4.8968 -4.8968 -4.7216 -4.7216 -4.6303 -4.6303 -4.6096 -4.6096 2.0650 2.0650 2.1087 2.1087 2.3177 2.3177 2.3525 2.3525 2.5936 2.5936 2.6364 2.6364 3.3992 3.3992 3.4783 3.4783 4.1879 4.1879 4.4484 4.4484 4.5743 4.5743 4.6979 4.6979 11.0516 11.0516 11.0662 11.0662 11.3462 11.3462 11.3795 11.3795 12.4697 12.4697 k = 0.2857 0.5000-0.0000 ( 6070 PWs) bands (ev): -20.0483 -20.0483 -20.0483 -20.0483 -16.1854 -16.1854 -16.1832 -16.1832 -7.7010 -7.7010 -7.7009 -7.7009 -6.7111 -6.7111 -6.6023 -6.6023 -4.9000 -4.9000 -4.7313 -4.7313 -4.6345 -4.6345 -4.6174 -4.6174 2.0632 2.0632 2.1043 2.1043 2.3342 2.3342 2.3691 2.3691 2.6017 2.6017 2.6431 2.6431 3.3908 3.3908 3.4678 3.4678 4.1853 4.1853 4.4343 4.4343 4.5823 4.5823 4.6975 4.6975 11.0700 11.0700 11.0841 11.0841 11.3671 11.3671 11.3994 11.3994 12.5119 12.5119 k = 0.3000 0.5000-0.0000 ( 6064 PWs) bands (ev): -20.0464 -20.0464 -20.0464 -20.0464 -16.1885 -16.1885 -16.1863 -16.1863 -7.6920 -7.6920 -7.6917 -7.6917 -6.7163 -6.7163 -6.6105 -6.6105 -4.9023 -4.9023 -4.7411 -4.7411 -4.6392 -4.6392 -4.6252 -4.6252 2.0619 2.0619 2.1004 2.1004 2.3511 2.3511 2.3859 2.3859 2.6088 2.6088 2.6487 2.6487 3.3837 3.3837 3.4583 3.4583 4.1822 4.1822 4.4189 4.4189 4.5898 4.5898 4.6964 4.6964 11.0867 11.0867 11.1006 11.1006 11.3913 11.3913 11.4220 11.4220 12.5548 12.5548 k = 0.3143 0.5000-0.0000 ( 6068 PWs) bands (ev): -20.0446 -20.0446 -20.0446 -20.0446 -16.1915 -16.1915 -16.1894 -16.1894 -7.6831 -7.6831 -7.6827 -7.6827 -6.7210 -6.7210 -6.6189 -6.6189 -4.9037 -4.9037 -4.7508 -4.7508 -4.6442 -4.6442 -4.6330 -4.6330 2.0611 2.0611 2.0969 2.0969 2.3683 2.3683 2.4027 2.4027 2.6149 2.6149 2.6534 2.6534 3.3780 3.3780 3.4497 3.4497 4.1789 4.1789 4.4026 4.4026 4.5967 4.5967 4.6947 4.6947 11.1016 11.1016 11.1154 11.1154 11.4188 11.4188 11.4472 11.4472 12.5979 12.5979 k = 0.3286 0.5000-0.0000 ( 6064 PWs) bands (ev): -20.0429 -20.0429 -20.0429 -20.0429 -16.1944 -16.1944 -16.1923 -16.1923 -7.6744 -7.6744 -7.6739 -7.6739 -6.7252 -6.7252 -6.6277 -6.6277 -4.9043 -4.9043 -4.7603 -4.7603 -4.6495 -4.6495 -4.6407 -4.6407 2.0606 2.0606 2.0938 2.0938 2.3856 2.3856 2.4195 2.4195 2.6201 2.6201 2.6570 2.6570 3.3735 3.3735 3.4422 3.4422 4.1756 4.1756 4.3856 4.3856 4.6028 4.6028 4.6925 4.6925 11.1148 11.1148 11.1286 11.1286 11.4491 11.4491 11.4748 11.4748 12.6412 12.6412 k = 0.3429 0.5000-0.0000 ( 6064 PWs) bands (ev): -20.0412 -20.0412 -20.0412 -20.0412 -16.1971 -16.1971 -16.1952 -16.1952 -7.6660 -7.6660 -7.6654 -7.6654 -6.7288 -6.7288 -6.6366 -6.6366 -4.9041 -4.9041 -4.7697 -4.7697 -4.6550 -4.6550 -4.6482 -4.6482 2.0606 2.0606 2.0910 2.0910 2.4028 2.4028 2.4360 2.4360 2.6243 2.6243 2.6597 2.6597 3.3703 3.3703 3.4355 3.4355 4.1724 4.1724 4.3681 4.3681 4.6083 4.6083 4.6898 4.6898 11.1263 11.1263 11.1402 11.1402 11.4814 11.4814 11.5042 11.5042 12.6843 12.6843 k = 0.3571 0.5000-0.0000 ( 6072 PWs) bands (ev): -20.0396 -20.0396 -20.0396 -20.0396 -16.1996 -16.1996 -16.1978 -16.1978 -7.6579 -7.6579 -7.6572 -7.6572 -6.7318 -6.7318 -6.6455 -6.6455 -4.9032 -4.9032 -4.7788 -4.7788 -4.6606 -4.6606 -4.6554 -4.6554 2.0608 2.0608 2.0885 2.0885 2.4198 2.4198 2.4521 2.4521 2.6277 2.6277 2.6614 2.6614 3.3682 3.3682 3.4295 3.4295 4.1696 4.1696 4.3504 4.3504 4.6131 4.6131 4.6867 4.6867 11.1365 11.1365 11.1502 11.1502 11.5150 11.5150 11.5349 11.5349 12.7269 12.7269 k = 0.3714 0.5000-0.0000 ( 6072 PWs) bands (ev): -20.0382 -20.0382 -20.0381 -20.0381 -16.2020 -16.2020 -16.2003 -16.2003 -7.6503 -7.6503 -7.6496 -7.6496 -6.7341 -6.7341 -6.6545 -6.6545 -4.9014 -4.9014 -4.7878 -4.7878 -4.6661 -4.6661 -4.6623 -4.6623 2.0613 2.0613 2.0862 2.0862 2.4364 2.4364 2.4675 2.4675 2.6303 2.6303 2.6623 2.6623 3.3672 3.3672 3.4242 3.4242 4.1673 4.1673 4.3325 4.3325 4.6174 4.6174 4.6831 4.6831 11.1456 11.1456 11.1589 11.1589 11.5491 11.5491 11.5662 11.5662 12.7686 12.7686 k = 0.3857 0.5000-0.0000 ( 6076 PWs) bands (ev): -20.0368 -20.0368 -20.0368 -20.0368 -16.2042 -16.2042 -16.2027 -16.2027 -7.6432 -7.6432 -7.6424 -7.6424 -6.7358 -6.7358 -6.6634 -6.6634 -4.8990 -4.8990 -4.7965 -4.7965 -4.6715 -4.6715 -4.6688 -4.6688 2.0620 2.0620 2.0842 2.0842 2.4525 2.4525 2.4821 2.4821 2.6322 2.6322 2.6623 2.6623 3.3672 3.3672 3.4195 3.4195 4.1656 4.1656 4.3147 4.3147 4.6213 4.6213 4.6793 4.6793 11.1536 11.1536 11.1662 11.1662 11.5829 11.5829 11.5972 11.5972 12.8092 12.8092 k = 0.4000 0.5000-0.0000 ( 6064 PWs) bands (ev): -20.0356 -20.0356 -20.0356 -20.0356 -16.2061 -16.2061 -16.2048 -16.2048 -7.6367 -7.6367 -7.6359 -7.6359 -6.7367 -6.7367 -6.6721 -6.6721 -4.8958 -4.8958 -4.8050 -4.8050 -4.6766 -4.6766 -4.6747 -4.6747 2.0629 2.0629 2.0823 2.0823 2.4678 2.4678 2.4957 2.4957 2.6334 2.6334 2.6616 2.6616 3.3680 3.3680 3.4151 3.4151 4.1649 4.1649 4.2972 4.2972 4.6248 4.6248 4.6753 4.6753 11.1607 11.1607 11.1725 11.1725 11.6155 11.6155 11.6273 11.6273 12.8482 12.8482 k = 0.4143 0.5000-0.0000 ( 6068 PWs) bands (ev): -20.0345 -20.0345 -20.0345 -20.0345 -16.2078 -16.2078 -16.2066 -16.2066 -7.6309 -7.6309 -7.6302 -7.6302 -6.7369 -6.7369 -6.6806 -6.6806 -4.8920 -4.8920 -4.8133 -4.8133 -4.6814 -4.6814 -4.6800 -4.6800 2.0640 2.0640 2.0806 2.0806 2.4822 2.4822 2.5080 2.5080 2.6343 2.6343 2.6601 2.6601 3.3697 3.3697 3.4111 3.4111 4.1653 4.1653 4.2801 4.2801 4.6280 4.6280 4.6711 4.6711 11.1670 11.1670 11.1776 11.1776 11.6460 11.6460 11.6555 11.6555 12.8853 12.8853 k = 0.4286 0.5000-0.0000 ( 6070 PWs) bands (ev): -20.0336 -20.0336 -20.0336 -20.0336 -16.2093 -16.2093 -16.2083 -16.2083 -7.6259 -7.6259 -7.6252 -7.6252 -6.7363 -6.7363 -6.6887 -6.6887 -4.8875 -4.8875 -4.8213 -4.8213 -4.6856 -4.6856 -4.6846 -4.6846 2.0651 2.0651 2.0790 2.0790 2.4954 2.4954 2.5186 2.5186 2.6348 2.6348 2.6579 2.6579 3.3719 3.3719 3.4073 3.4073 4.1670 4.1670 4.2637 4.2637 4.6311 4.6311 4.6669 4.6669 11.1725 11.1725 11.1817 11.1817 11.6737 11.6737 11.6811 11.6811 12.9201 12.9201 k = 0.4429 0.5000-0.0000 ( 6056 PWs) bands (ev): -20.0328 -20.0328 -20.0328 -20.0328 -16.2104 -16.2104 -16.2096 -16.2096 -7.6216 -7.6216 -7.6210 -7.6210 -6.7349 -6.7349 -6.6964 -6.6964 -4.8826 -4.8826 -4.8292 -4.8292 -4.6892 -4.6892 -4.6885 -4.6885 2.0663 2.0663 2.0774 2.0774 2.5074 2.5074 2.5273 2.5273 2.6354 2.6354 2.6553 2.6553 3.3747 3.3747 3.4036 3.4036 4.1700 4.1700 4.2481 4.2481 4.6341 4.6341 4.6627 4.6627 11.1773 11.1773 11.1849 11.1849 11.6977 11.6977 11.7033 11.7033 12.9522 12.9522 k = 0.4571 0.5000-0.0000 ( 6052 PWs) bands (ev): -20.0322 -20.0322 -20.0322 -20.0322 -16.2114 -16.2114 -16.2107 -16.2107 -7.6182 -7.6182 -7.6177 -7.6177 -6.7327 -6.7327 -6.7036 -6.7036 -4.8771 -4.8771 -4.8368 -4.8368 -4.6921 -4.6921 -4.6917 -4.6917 2.0676 2.0676 2.0759 2.0759 2.5178 2.5178 2.5338 2.5338 2.6363 2.6363 2.6521 2.6521 3.3779 3.3779 3.3999 3.3999 4.1745 4.1745 4.2335 4.2335 4.6372 4.6372 4.6585 4.6585 11.1812 11.1812 11.1871 11.1871 11.7173 11.7173 11.7213 11.7213 12.9813 12.9813 k = 0.4714 0.5000-0.0000 ( 6036 PWs) bands (ev): -20.0318 -20.0318 -20.0317 -20.0317 -16.2120 -16.2120 -16.2116 -16.2116 -7.6157 -7.6157 -7.6154 -7.6154 -6.7297 -6.7297 -6.7102 -6.7102 -4.8712 -4.8712 -4.8442 -4.8442 -4.6942 -4.6942 -4.6939 -4.6939 2.0690 2.0690 2.0745 2.0745 2.5264 2.5264 2.5377 2.5377 2.6376 2.6376 2.6488 2.6488 3.3813 3.3813 3.3962 3.3962 4.1805 4.1805 4.2201 4.2201 4.6403 4.6403 4.6545 4.6545 11.1844 11.1844 11.1884 11.1884 11.7319 11.7319 11.7345 11.7345 13.0069 13.0069 k = 0.4857 0.5000-0.0000 ( 6028 PWs) bands (ev): -20.0315 -20.0315 -20.0315 -20.0315 -16.2123 -16.2123 -16.2121 -16.2121 -7.6142 -7.6142 -7.6140 -7.6140 -6.7260 -6.7260 -6.7161 -6.7161 -4.8649 -4.8649 -4.8514 -4.8514 -4.6955 -4.6955 -4.6953 -4.6953 2.0703 2.0703 2.0731 2.0731 2.5330 2.5330 2.5388 2.5388 2.6396 2.6396 2.6454 2.6454 3.3850 3.3850 3.3924 3.3924 4.1881 4.1881 4.2080 4.2080 4.6436 4.6436 4.6507 4.6507 11.1867 11.1867 11.1887 11.1887 11.7412 11.7412 11.7424 11.7424 13.0282 13.0282 k = 0.5000 0.5000-0.0000 ( 6020 PWs) bands (ev): -20.0314 -20.0314 -20.0314 -20.0314 -16.2123 -16.2123 -16.2123 -16.2123 -7.6136 -7.6136 -7.6136 -7.6136 -6.7214 -6.7214 -6.7214 -6.7214 -4.8583 -4.8583 -4.8583 -4.8583 -4.6959 -4.6959 -4.6959 -4.6959 2.0717 2.0717 2.0717 2.0717 2.5372 2.5372 2.5372 2.5372 2.6423 2.6423 2.6423 2.6423 3.3887 3.3887 3.3887 3.3887 4.1973 4.1973 4.1973 4.1973 4.6471 4.6471 4.6471 4.6471 11.1881 11.1881 11.1881 11.1881 11.7447 11.7447 11.7447 11.7447 13.0435 13.0435 k = 0.5000 0.5000-0.0000 ( 6020 PWs) bands (ev): -20.0314 -20.0314 -20.0314 -20.0314 -16.2123 -16.2123 -16.2123 -16.2123 -7.6136 -7.6136 -7.6136 -7.6136 -6.7214 -6.7214 -6.7214 -6.7214 -4.8583 -4.8583 -4.8583 -4.8583 -4.6959 -4.6959 -4.6959 -4.6959 2.0717 2.0717 2.0717 2.0717 2.5372 2.5372 2.5372 2.5372 2.6423 2.6423 2.6423 2.6423 3.3887 3.3887 3.3887 3.3887 4.1973 4.1973 4.1973 4.1973 4.6471 4.6471 4.6471 4.6471 11.1881 11.1881 11.1881 11.1881 11.7447 11.7447 11.7447 11.7447 13.0435 13.0435 k = 0.4900 0.4900-0.0000 ( 6032 PWs) bands (ev): -20.0316 -20.0316 -20.0314 -20.0314 -16.2123 -16.2123 -16.2121 -16.2121 -7.6143 -7.6143 -7.6139 -7.6139 -6.7259 -6.7259 -6.7162 -6.7162 -4.8649 -4.8649 -4.8515 -4.8515 -4.6958 -4.6958 -4.6950 -4.6950 2.0703 2.0703 2.0732 2.0732 2.5330 2.5330 2.5389 2.5389 2.6395 2.6395 2.6456 2.6456 3.3850 3.3850 3.3925 3.3925 4.1882 4.1882 4.2079 4.2079 4.6436 4.6436 4.6507 4.6507 11.1864 11.1864 11.1890 11.1890 11.7383 11.7383 11.7454 11.7454 13.0268 13.0269 k = 0.4800 0.4800-0.0000 ( 6040 PWs) bands (ev): -20.0321 -20.0321 -20.0314 -20.0314 -16.2120 -16.2120 -16.2116 -16.2116 -7.6163 -7.6163 -7.6148 -7.6148 -6.7296 -6.7296 -6.7104 -6.7104 -4.8710 -4.8710 -4.8444 -4.8444 -4.6957 -4.6957 -4.6925 -4.6925 2.0685 2.0685 2.0750 2.0750 2.5262 2.5262 2.5382 2.5382 2.6362 2.6362 2.6500 2.6500 3.3809 3.3809 3.3966 3.3966 4.1805 4.1805 4.2199 4.2199 4.6403 4.6403 4.6546 4.6546 11.1825 11.1825 11.1902 11.1902 11.7200 11.7200 11.7474 11.7474 12.9990 12.9990 k = 0.4700 0.4700-0.0000 ( 6048 PWs) bands (ev): -20.0330 -20.0330 -20.0314 -20.0314 -16.2114 -16.2114 -16.2108 -16.2108 -7.6195 -7.6195 -7.6163 -7.6163 -6.7325 -6.7325 -6.7040 -6.7040 -4.8767 -4.8767 -4.8373 -4.8373 -4.6955 -4.6955 -4.6884 -4.6884 2.0662 2.0662 2.0774 2.0774 2.5173 2.5173 2.5355 2.5355 2.6320 2.6320 2.6555 2.6555 3.3765 3.3765 3.4014 3.4014 4.1743 4.1743 4.2333 4.2333 4.6371 4.6371 4.6587 4.6587 11.1763 11.1763 11.1922 11.1922 11.6910 11.6910 11.7506 11.7506 12.9627 12.9627 k = 0.4600 0.4600-0.0000 ( 6054 PWs) bands (ev): -20.0342 -20.0342 -20.0314 -20.0314 -16.2105 -16.2105 -16.2097 -16.2097 -7.6240 -7.6240 -7.6183 -7.6183 -6.7345 -6.7345 -6.6971 -6.6971 -4.8819 -4.8819 -4.8300 -4.8300 -4.6953 -4.6953 -4.6828 -4.6828 2.0632 2.0632 2.0806 2.0806 2.5065 2.5065 2.5311 2.5311 2.6265 2.6265 2.6619 2.6619 3.3715 3.3715 3.4070 3.4070 4.1693 4.1693 4.2480 4.2480 4.6338 4.6338 4.6633 4.6633 11.1677 11.1677 11.1947 11.1947 11.6534 11.6534 11.7552 11.7552 12.9208 12.9208 k = 0.4500 0.4500-0.0000 ( 6062 PWs) bands (ev): -20.0357 -20.0357 -20.0314 -20.0314 -16.2093 -16.2093 -16.2083 -16.2083 -7.6296 -7.6296 -7.6208 -7.6208 -6.7355 -6.7355 -6.6899 -6.6899 -4.8863 -4.8863 -4.8227 -4.8227 -4.6949 -4.6949 -4.6759 -4.6759 2.0596 2.0596 2.0846 2.0846 2.4942 2.4942 2.5251 2.5251 2.6195 2.6195 2.6688 2.6688 3.3662 3.3662 3.4135 3.4135 4.1656 4.1656 4.2636 4.2636 4.6304 4.6304 4.6682 4.6682 11.1568 11.1568 11.1977 11.1977 11.6096 11.6096 11.7612 11.7612 12.8751 12.8751 k = 0.4400 0.4400-0.0000 ( 6060 PWs) bands (ev): -20.0376 -20.0376 -20.0314 -20.0314 -16.2079 -16.2079 -16.2067 -16.2067 -7.6364 -7.6364 -7.6237 -7.6237 -6.7357 -6.7357 -6.6825 -6.6825 -4.8901 -4.8901 -4.8153 -4.8153 -4.6945 -4.6945 -4.6678 -4.6678 2.0554 2.0554 2.0895 2.0895 2.4809 2.4809 2.5178 2.5178 2.6111 2.6111 2.6757 2.6757 3.3607 3.3607 3.4211 3.4211 4.1629 4.1629 4.2800 4.2800 4.6269 4.6269 4.6736 4.6736 11.1439 11.1439 11.2011 11.2011 11.5620 11.5620 11.7684 11.7684 12.8265 12.8265 k = 0.4300 0.4300-0.0000 ( 6070 PWs) bands (ev): -20.0398 -20.0398 -20.0314 -20.0314 -16.2062 -16.2062 -16.2047 -16.2047 -7.6442 -7.6442 -7.6270 -7.6270 -6.7350 -6.7350 -6.6749 -6.6749 -4.8931 -4.8931 -4.8080 -4.8080 -4.6939 -4.6939 -4.6587 -4.6587 2.0507 2.0507 2.0953 2.0953 2.4666 2.4666 2.5092 2.5092 2.6013 2.6013 2.6826 2.6826 3.3552 3.3552 3.4296 3.4296 4.1613 4.1613 4.2970 4.2970 4.6232 4.6232 4.6795 4.6795 11.1290 11.1290 11.2047 11.2047 11.5127 11.5127 11.7770 11.7770 12.7760 12.7760 k = 0.4200 0.4200-0.0000 ( 6070 PWs) bands (ev): -20.0423 -20.0423 -20.0314 -20.0314 -16.2042 -16.2042 -16.2026 -16.2026 -7.6529 -7.6529 -7.6306 -7.6306 -6.7335 -6.7335 -6.6673 -6.6673 -4.8953 -4.8953 -4.8006 -4.8006 -4.6933 -4.6933 -4.6488 -4.6488 2.0456 2.0456 2.1018 2.1018 2.4517 2.4517 2.4995 2.4995 2.5901 2.5901 2.6892 2.6892 3.3502 3.3502 3.4391 3.4391 4.1604 4.1604 4.3141 4.3141 4.6192 4.6192 4.6859 4.6859 11.1125 11.1125 11.2081 11.2081 11.4636 11.4636 11.7870 11.7870 12.7240 12.7240 k = 0.4100 0.4100-0.0000 ( 6072 PWs) bands (ev): -20.0451 -20.0451 -20.0313 -20.0313 -16.2020 -16.2020 -16.2002 -16.2002 -7.6624 -7.6624 -7.6344 -7.6344 -6.7311 -6.7311 -6.6598 -6.6598 -4.8966 -4.8966 -4.7932 -4.7932 -4.6925 -4.6925 -4.6384 -4.6384 2.0402 2.0402 2.1093 2.1093 2.4363 2.4363 2.4888 2.4888 2.5775 2.5775 2.6953 2.6953 3.3458 3.3458 3.4496 3.4496 4.1604 4.1604 4.3312 4.3312 4.6150 4.6150 4.6928 4.6928 11.0946 11.0946 11.2112 11.2112 11.4165 11.4165 11.7983 11.7983 12.6710 12.6710 k = 0.4000 0.4000-0.0000 ( 6080 PWs) bands (ev): -20.0481 -20.0481 -20.0313 -20.0313 -16.1995 -16.1995 -16.1975 -16.1975 -7.6726 -7.6726 -7.6384 -7.6384 -6.7280 -6.7280 -6.6524 -6.6524 -4.8971 -4.8971 -4.7858 -4.7858 -4.6916 -4.6916 -4.6276 -4.6276 2.0346 2.0346 2.1175 2.1175 2.4204 2.4204 2.4773 2.4773 2.5635 2.5635 2.7010 2.7010 3.3424 3.3424 3.4608 3.4608 4.1609 4.1609 4.3480 4.3480 4.6104 4.6104 4.7002 4.7002 11.0758 11.0758 11.2136 11.2136 11.3726 11.3726 11.8110 11.8110 12.6174 12.6174 k = 0.3900 0.3900-0.0000 ( 6084 PWs) bands (ev): -20.0515 -20.0515 -20.0313 -20.0313 -16.1969 -16.1969 -16.1946 -16.1946 -7.6834 -7.6834 -7.6423 -7.6423 -6.7241 -6.7241 -6.6452 -6.6452 -4.8967 -4.8967 -4.7785 -4.7785 -4.6906 -4.6906 -4.6166 -4.6166 2.0288 2.0288 2.1266 2.1266 2.4042 2.4042 2.4650 2.4650 2.5483 2.5483 2.7060 2.7060 3.3403 3.3403 3.4729 3.4729 4.1619 4.1619 4.3642 4.3642 4.6055 4.6055 4.7082 4.7082 11.0566 11.0566 11.2148 11.2148 11.3330 11.3330 11.8250 11.8250 12.5633 12.5633 k = 0.3800 0.3800-0.0000 ( 6080 PWs) bands (ev): -20.0551 -20.0551 -20.0313 -20.0313 -16.1939 -16.1939 -16.1915 -16.1915 -7.6947 -7.6947 -7.6463 -7.6463 -6.7196 -6.7196 -6.6383 -6.6383 -4.8955 -4.8955 -4.7712 -4.7712 -4.6893 -4.6893 -4.6056 -4.6056 2.0231 2.0231 2.1365 2.1365 2.3879 2.3879 2.4521 2.4521 2.5320 2.5320 2.7105 2.7105 3.3396 3.3396 3.4856 3.4856 4.1633 4.1633 4.3795 4.3795 4.6003 4.6003 4.7167 4.7167 11.0378 11.0378 11.2139 11.2139 11.2988 11.2988 11.8405 11.8405 12.5090 12.5090 k = 0.3700 0.3700-0.0000 ( 6088 PWs) bands (ev): -20.0590 -20.0590 -20.0313 -20.0313 -16.1908 -16.1908 -16.1883 -16.1883 -7.7064 -7.7064 -7.6501 -7.6501 -6.7146 -6.7146 -6.6318 -6.6318 -4.8935 -4.8935 -4.7642 -4.7642 -4.6878 -4.6878 -4.5948 -4.5948 2.0176 2.0176 2.1471 2.1471 2.3714 2.3714 2.4388 2.4388 2.5146 2.5146 2.7143 2.7143 3.3407 3.3407 3.4991 3.4991 4.1649 4.1649 4.3938 4.3938 4.5948 4.5948 4.7257 4.7257 11.0203 11.0203 11.2093 11.2093 11.2716 11.2716 11.8572 11.8572 12.4546 12.4546 k = 0.3600 0.3600-0.0000 ( 6092 PWs) bands (ev): -20.0631 -20.0631 -20.0313 -20.0313 -16.1875 -16.1875 -16.1848 -16.1848 -7.7183 -7.7183 -7.6538 -7.6538 -6.7091 -6.7091 -6.6257 -6.6257 -4.8907 -4.8907 -4.7574 -4.7574 -4.6860 -4.6860 -4.5844 -4.5844 2.0122 2.0122 2.1583 2.1583 2.3548 2.3548 2.4250 2.4250 2.4962 2.4962 2.7175 2.7175 3.3437 3.3437 3.5131 3.5131 4.1665 4.1665 4.4068 4.4068 4.5891 4.5891 4.7353 4.7353 11.0049 11.0049 11.1991 11.1991 11.2529 11.2529 11.8753 11.8753 12.4006 12.4006 k = 0.3500 0.3500-0.0000 ( 6088 PWs) bands (ev): -20.0674 -20.0674 -20.0313 -20.0313 -16.1840 -16.1840 -16.1811 -16.1811 -7.7303 -7.7303 -7.6572 -7.6572 -6.7032 -6.7032 -6.6201 -6.6201 -4.8871 -4.8871 -4.7509 -4.7509 -4.6839 -4.6839 -4.5743 -4.5743 2.0072 2.0072 2.1702 2.1702 2.3383 2.3383 2.4110 2.4110 2.4772 2.4772 2.7200 2.7200 3.3489 3.3489 3.5277 3.5277 4.1680 4.1680 4.4184 4.4184 4.5834 4.5834 4.7453 4.7453 10.9925 10.9925 11.1839 11.1839 11.2419 11.2419 11.8947 11.8947 12.3469 12.3469 k = 0.3400 0.3400-0.0000 ( 6090 PWs) bands (ev): -20.0719 -20.0719 -20.0313 -20.0313 -16.1803 -16.1803 -16.1773 -16.1773 -7.7424 -7.7424 -7.6602 -7.6602 -6.6970 -6.6970 -6.6149 -6.6149 -4.8829 -4.8829 -4.7448 -4.7448 -4.6813 -4.6813 -4.5649 -4.5649 2.0027 2.0027 2.1825 2.1825 2.3219 2.3219 2.3968 2.3968 2.4575 2.4575 2.7218 2.7218 3.3562 3.3562 3.5427 3.5427 4.1692 4.1692 4.4283 4.4283 4.5779 4.5779 4.7558 4.7558 10.9839 10.9839 11.1670 11.1670 11.2347 11.2347 11.9152 11.9152 12.2940 12.2940 k = 0.3300 0.3300-0.0000 ( 6090 PWs) bands (ev): -20.0766 -20.0766 -20.0313 -20.0313 -16.1765 -16.1765 -16.1734 -16.1734 -7.7545 -7.7545 -7.6629 -7.6629 -6.6905 -6.6905 -6.6104 -6.6104 -4.8781 -4.8781 -4.7392 -4.7392 -4.6784 -4.6784 -4.5561 -4.5561 1.9986 1.9986 2.1951 2.1951 2.3057 2.3057 2.3825 2.3825 2.4373 2.4373 2.7229 2.7229 3.3659 3.3659 3.5583 3.5583 4.1701 4.1701 4.4362 4.4362 4.5729 4.5729 4.7667 4.7667 10.9797 10.9797 11.1509 11.1509 11.2285 11.2285 11.9367 11.9367 12.2421 12.2421 k = 0.3200 0.3200-0.0000 ( 6098 PWs) bands (ev): -20.0814 -20.0814 -20.0313 -20.0313 -16.1725 -16.1725 -16.1693 -16.1693 -7.7664 -7.7664 -7.6651 -7.6651 -6.6839 -6.6839 -6.6063 -6.6063 -4.8728 -4.8728 -4.7343 -4.7343 -4.6750 -4.6750 -4.5481 -4.5481 1.9951 1.9951 2.2077 2.2077 2.2897 2.2897 2.3684 2.3684 2.4170 2.4170 2.7234 2.7234 3.3779 3.3779 3.5742 3.5742 4.1703 4.1703 4.4418 4.4418 4.5690 4.5690 4.7780 4.7780 10.9801 10.9801 11.1368 11.1368 11.2221 11.2221 11.9586 11.9586 12.1914 12.1914 k = 0.3100 0.3100-0.0000 ( 6098 PWs) bands (ev): -20.0864 -20.0864 -20.0313 -20.0313 -16.1684 -16.1684 -16.1651 -16.1651 -7.7781 -7.7781 -7.6668 -7.6668 -6.6772 -6.6772 -6.6029 -6.6029 -4.8670 -4.8670 -4.7299 -4.7299 -4.6711 -4.6711 -4.5410 -4.5410 1.9922 1.9922 2.2199 2.2199 2.2743 2.2743 2.3548 2.3548 2.3967 2.3967 2.7232 2.7232 3.3924 3.3924 3.5906 3.5906 4.1699 4.1699 4.4445 4.4445 4.5668 4.5668 4.7898 4.7898 10.9851 10.9851 11.1251 11.1251 11.2152 11.2152 11.9798 11.9798 12.1425 12.1425 k = 0.3000 0.3000-0.0000 ( 6104 PWs) bands (ev): -20.0914 -20.0914 -20.0313 -20.0313 -16.1642 -16.1642 -16.1608 -16.1608 -7.7894 -7.7894 -7.6679 -7.6679 -6.6705 -6.6705 -6.6001 -6.6001 -4.8609 -4.8609 -4.7261 -4.7261 -4.6668 -4.6668 -4.5348 -4.5348 1.9898 1.9898 2.2302 2.2302 2.2600 2.2600 2.3422 2.3422 2.3767 2.3767 2.7224 2.7224 3.4092 3.4092 3.6074 3.6074 4.1688 4.1688 4.4439 4.4439 4.5668 4.5668 4.8018 4.8018 10.9942 10.9942 11.1164 11.1164 11.2076 11.2076 11.9966 11.9966 12.0958 12.0958 k = 0.2900 0.2900-0.0000 ( 6094 PWs) bands (ev): -20.0966 -20.0966 -20.0313 -20.0313 -16.1599 -16.1599 -16.1565 -16.1565 -7.8005 -7.8005 -7.6684 -7.6684 -6.6638 -6.6638 -6.5978 -6.5978 -4.8545 -4.8545 -4.7228 -4.7228 -4.6622 -4.6622 -4.5295 -4.5295 1.9881 1.9881 2.2337 2.2337 2.2507 2.2507 2.3319 2.3319 2.3573 2.3573 2.7209 2.7209 3.4282 3.4282 3.6245 3.6245 4.1670 4.1670 4.4401 4.4401 4.5693 4.5693 4.8142 4.8142 11.0062 11.0062 11.1114 11.1114 11.1998 11.1998 11.9953 11.9953 12.0538 12.0538 k = 0.2800 0.2800-0.0000 ( 6106 PWs) bands (ev): -20.1018 -20.1018 -20.0313 -20.0313 -16.1555 -16.1555 -16.1520 -16.1520 -7.8111 -7.8111 -7.6683 -7.6683 -6.6573 -6.6573 -6.5962 -6.5962 -4.8480 -4.8480 -4.7199 -4.7199 -4.6572 -4.6572 -4.5251 -4.5251 1.9870 1.9870 2.2241 2.2241 2.2502 2.2502 2.3258 2.3258 2.3388 2.3388 2.7188 2.7188 3.4492 3.4492 3.6422 3.6422 4.1645 4.1645 4.4332 4.4332 4.5744 4.5744 4.8268 4.8268 11.0185 11.0185 11.1115 11.1115 11.1924 11.1924 11.9443 11.9443 12.0149 12.0149 k = 0.2700 0.2700-0.0000 ( 6110 PWs) bands (ev): -20.1071 -20.1071 -20.0314 -20.0314 -16.1511 -16.1511 -16.1476 -16.1476 -7.8212 -7.8212 -7.6675 -7.6675 -6.6510 -6.6510 -6.5951 -6.5951 -4.8416 -4.8416 -4.7174 -4.7174 -4.6521 -4.6521 -4.5217 -4.5217 1.9864 1.9864 2.2108 2.2108 2.2471 2.2471 2.3204 2.3204 2.3272 2.3272 2.7162 2.7162 3.4720 3.4720 3.6603 3.6603 4.1613 4.1613 4.4238 4.4238 4.5816 4.5816 4.8397 4.8397 11.0278 11.0278 11.1179 11.1179 11.1875 11.1875 11.8461 11.8461 11.9739 11.9739 k = 0.2600 0.2600-0.0000 ( 6108 PWs) bands (ev): -20.1124 -20.1124 -20.0314 -20.0314 -16.1466 -16.1466 -16.1431 -16.1431 -7.8308 -7.8308 -7.6661 -7.6661 -6.6449 -6.6449 -6.5946 -6.5946 -4.8354 -4.8354 -4.7149 -4.7149 -4.6470 -4.6470 -4.5193 -4.5193 1.9862 1.9862 2.1973 2.1973 2.2383 2.2383 2.3043 2.3043 2.3337 2.3337 2.7130 2.7130 3.4961 3.4961 3.6791 3.6791 4.1577 4.1577 4.4126 4.4126 4.5906 4.5906 4.8526 4.8526 11.0320 11.0320 11.1268 11.1268 11.1905 11.1905 11.7300 11.7300 11.9364 11.9364 k = 0.2500 0.2500-0.0000 ( 6106 PWs) bands (ev): -20.1178 -20.1178 -20.0314 -20.0314 -16.1421 -16.1421 -16.1386 -16.1386 -7.8398 -7.8398 -7.6640 -7.6640 -6.6392 -6.6392 -6.5947 -6.5947 -4.8296 -4.8296 -4.7124 -4.7124 -4.6418 -4.6418 -4.5177 -4.5177 1.9863 1.9863 2.1840 2.1840 2.2256 2.2256 2.2889 2.2889 2.3445 2.3445 2.7093 2.7093 3.5209 3.5209 3.6988 3.6988 4.1539 4.1539 4.4001 4.4001 4.6011 4.6011 4.8657 4.8657 11.0318 11.0318 11.1293 11.1293 11.2086 11.2086 11.6093 11.6093 11.9029 11.9029 k = 0.2400 0.2400-0.0000 ( 6122 PWs) bands (ev): -20.1231 -20.1231 -20.0314 -20.0314 -16.1376 -16.1376 -16.1342 -16.1342 -7.8483 -7.8483 -7.6612 -7.6612 -6.6338 -6.6338 -6.5953 -6.5953 -4.8244 -4.8244 -4.7098 -4.7098 -4.6367 -4.6367 -4.5171 -4.5171 1.9867 1.9867 2.1712 2.1712 2.2111 2.2111 2.2746 2.2746 2.3574 2.3574 2.7051 2.7051 3.5458 3.5458 3.7195 3.7195 4.1501 4.1501 4.3870 4.3870 4.6129 4.6129 4.8787 4.8787 11.0286 11.0286 11.1244 11.1244 11.2407 11.2407 11.4881 11.4881 11.8731 11.8731 k = 0.2300 0.2300-0.0000 ( 6116 PWs) bands (ev): -20.1284 -20.1284 -20.0315 -20.0315 -16.1331 -16.1331 -16.1297 -16.1297 -7.8562 -7.8562 -7.6577 -7.6577 -6.6289 -6.6289 -6.5964 -6.5964 -4.8200 -4.8200 -4.7067 -4.7067 -4.6317 -4.6317 -4.5172 -4.5172 1.9871 1.9871 2.1590 2.1590 2.1960 2.1960 2.2613 2.2613 2.3714 2.3714 2.7006 2.7006 3.5698 3.5698 3.7416 3.7416 4.1466 4.1466 4.3739 4.3739 4.6256 4.6256 4.8918 4.8918 11.0234 11.0234 11.1162 11.1162 11.2803 11.2803 11.3687 11.3687 11.8473 11.8473 k = 0.2200 0.2200-0.0000 ( 6119 PWs) bands (ev): -20.1336 -20.1336 -20.0315 -20.0315 -16.1287 -16.1287 -16.1254 -16.1254 -7.8634 -7.8634 -7.6536 -7.6536 -6.6245 -6.6245 -6.5979 -6.5979 -4.8165 -4.8165 -4.7032 -4.7032 -4.6268 -4.6268 -4.5180 -4.5180 1.9874 1.9874 2.1475 2.1475 2.1809 2.1809 2.2489 2.2489 2.3857 2.3857 2.6956 2.6956 3.5921 3.5921 3.7653 3.7653 4.1439 4.1439 4.3612 4.3612 4.6392 4.6392 4.9046 4.9046 11.0163 11.0163 11.1068 11.1068 11.2473 11.2473 11.3287 11.3287 11.8256 11.8256 k = 0.2100 0.2100-0.0000 ( 6107 PWs) bands (ev): -20.1387 -20.1387 -20.0315 -20.0315 -16.1243 -16.1243 -16.1210 -16.1210 -7.8701 -7.8701 -7.6488 -7.6488 -6.6207 -6.6207 -6.5997 -6.5997 -4.8142 -4.8142 -4.6990 -4.6990 -4.6221 -4.6221 -4.5196 -4.5196 1.9873 1.9873 2.1367 2.1367 2.1664 2.1664 2.2373 2.2373 2.4002 2.4002 2.6903 2.6903 3.6118 3.6118 3.7906 3.7906 4.1422 4.1422 4.3496 4.3496 4.6536 4.6536 4.9173 4.9173 11.0072 11.0072 11.0969 11.0969 11.1328 11.1328 11.3756 11.3756 11.8082 11.8082 k = 0.2000 0.2000-0.0000 ( 6111 PWs) bands (ev): -20.1438 -20.1438 -20.0316 -20.0316 -16.1199 -16.1199 -16.1168 -16.1168 -7.8761 -7.8761 -7.6434 -7.6434 -6.6178 -6.6178 -6.6015 -6.6015 -4.8131 -4.8131 -4.6942 -4.6942 -4.6176 -4.6176 -4.5217 -4.5217 1.9867 1.9867 2.1267 2.1267 2.1527 2.1527 2.2265 2.2265 2.4146 2.4146 2.6848 2.6848 3.6285 3.6285 3.8171 3.8171 4.1419 4.1419 4.3397 4.3397 4.6688 4.6688 4.9298 4.9298 10.9954 10.9954 11.0196 11.0196 11.0883 11.0883 11.4248 11.4248 11.7952 11.7952 k = 0.1900 0.1900-0.0000 ( 6121 PWs) bands (ev): -20.1488 -20.1488 -20.0316 -20.0316 -16.1157 -16.1157 -16.1126 -16.1126 -7.8816 -7.8816 -7.6375 -7.6375 -6.6163 -6.6163 -6.6029 -6.6029 -4.8131 -4.8131 -4.6888 -4.6888 -4.6133 -4.6133 -4.5242 -4.5242 1.9853 1.9853 2.1177 2.1177 2.1400 2.1400 2.2165 2.2165 2.4287 2.4287 2.6790 2.6790 3.6417 3.6417 3.8440 3.8440 4.1434 4.1434 4.3321 4.3321 4.6848 4.6848 4.9419 4.9419 10.9096 10.9096 10.9816 10.9816 11.0794 11.0794 11.4745 11.4745 11.7871 11.7871 k = 0.1800 0.1800-0.0000 ( 6121 PWs) bands (ev): -20.1536 -20.1536 -20.0317 -20.0317 -16.1116 -16.1116 -16.1085 -16.1085 -7.8864 -7.8864 -7.6310 -7.6310 -6.6166 -6.6166 -6.6032 -6.6032 -4.8144 -4.8144 -4.6827 -4.6827 -4.6092 -4.6092 -4.5272 -4.5272 1.9830 1.9830 2.1095 2.1095 2.1286 2.1286 2.2073 2.2073 2.4425 2.4425 2.6731 2.6731 3.6515 3.6515 3.8703 3.8703 4.1469 4.1469 4.3274 4.3274 4.7015 4.7015 4.9535 4.9535 10.8035 10.8035 10.9638 10.9638 11.0712 11.0712 11.5237 11.5237 11.7840 11.7840 k = 0.1700 0.1700-0.0000 ( 6121 PWs) bands (ev): -20.1582 -20.1582 -20.0317 -20.0317 -16.1076 -16.1076 -16.1046 -16.1046 -7.8907 -7.8907 -7.6240 -7.6240 -6.6188 -6.6188 -6.6026 -6.6026 -4.8167 -4.8167 -4.6762 -4.6762 -4.6054 -4.6054 -4.5305 -4.5305 1.9798 1.9798 2.1022 2.1022 2.1184 2.1184 2.1989 2.1989 2.4558 2.4558 2.6671 2.6671 3.6580 3.6580 3.8949 3.8949 4.1524 4.1524 4.3265 4.3265 4.7192 4.7192 4.9647 4.9647 10.7013 10.7013 10.9423 10.9423 11.0638 11.0638 11.5718 11.5718 11.7863 11.7863 k = 0.1600 0.1600-0.0000 ( 6111 PWs) bands (ev): -20.1627 -20.1627 -20.0317 -20.0317 -16.1037 -16.1037 -16.1008 -16.1008 -7.8944 -7.8944 -7.6167 -7.6167 -6.6221 -6.6221 -6.6015 -6.6015 -4.8200 -4.8200 -4.6694 -4.6694 -4.6017 -4.6017 -4.5339 -4.5339 1.9758 1.9758 2.0954 2.0954 2.1097 2.1097 2.1913 2.1913 2.4686 2.4686 2.6612 2.6612 3.6615 3.6615 3.9168 3.9168 4.1597 4.1597 4.3298 4.3298 4.7379 4.7379 4.9754 4.9754 10.6031 10.6031 10.9164 10.9164 11.0572 11.0572 11.6186 11.6186 11.7939 11.7939 k = 0.1500 0.1500-0.0000 ( 6113 PWs) bands (ev): -20.1671 -20.1671 -20.0318 -20.0318 -16.1000 -16.1000 -16.0971 -16.0971 -7.8976 -7.8976 -7.6090 -7.6090 -6.6260 -6.6260 -6.6005 -6.6005 -4.8240 -4.8240 -4.6623 -4.6623 -4.5983 -4.5983 -4.5376 -4.5376 1.9711 1.9711 2.0890 2.0890 2.1026 2.1026 2.1845 2.1845 2.4808 2.4808 2.6552 2.6552 3.6624 3.6624 3.9354 3.9354 4.1682 4.1682 4.3378 4.3378 4.7578 4.7578 4.9854 4.9854 10.5094 10.5094 10.8860 10.8860 11.0511 11.0511 11.6636 11.6636 11.7823 11.7823 k = 0.1400 0.1400-0.0000 ( 6117 PWs) bands (ev): -20.1712 -20.1712 -20.0318 -20.0318 -16.0965 -16.0965 -16.0936 -16.0936 -7.9004 -7.9004 -7.6012 -7.6012 -6.6304 -6.6304 -6.5998 -6.5998 -4.8287 -4.8287 -4.6552 -4.6552 -4.5951 -4.5951 -4.5412 -4.5412 1.9659 1.9659 2.0826 2.0826 2.0969 2.0969 2.1784 2.1784 2.4923 2.4923 2.6495 2.6495 3.6609 3.6609 3.9506 3.9506 4.1774 4.1774 4.3504 4.3504 4.7790 4.7790 4.9949 4.9949 10.4203 10.4203 10.8509 10.8509 11.0456 11.0456 11.7068 11.7068 11.7348 11.7348 k = 0.1300 0.1300-0.0000 ( 6123 PWs) bands (ev): -20.1751 -20.1751 -20.0319 -20.0319 -16.0932 -16.0932 -16.0902 -16.0902 -7.9027 -7.9027 -7.5931 -7.5931 -6.6350 -6.6350 -6.5993 -6.5993 -4.8339 -4.8339 -4.6481 -4.6481 -4.5921 -4.5921 -4.5449 -4.5449 1.9604 1.9604 2.0764 2.0764 2.0923 2.0923 2.1731 2.1731 2.5030 2.5030 2.6439 2.6439 3.6575 3.6575 3.9627 3.9627 4.1867 4.1867 4.3667 4.3667 4.8016 4.8016 5.0037 5.0037 10.3361 10.3361 10.8111 10.8111 11.0405 11.0405 11.6880 11.6880 11.7478 11.7478 k = 0.1200 0.1200-0.0000 ( 6117 PWs) bands (ev): -20.1787 -20.1787 -20.0319 -20.0319 -16.0900 -16.0900 -16.0871 -16.0871 -7.9046 -7.9046 -7.5850 -7.5850 -6.6397 -6.6397 -6.5991 -6.5991 -4.8394 -4.8394 -4.6411 -4.6411 -4.5893 -4.5893 -4.5485 -4.5485 1.9549 1.9549 2.0706 2.0706 2.0885 2.0885 2.1685 2.1685 2.5130 2.5130 2.6387 2.6387 3.6525 3.6525 3.9721 3.9721 4.1960 4.1960 4.3855 4.3855 4.8257 4.8257 5.0118 5.0118 10.2570 10.2570 10.7669 10.7669 11.0357 11.0357 11.6429 11.6429 11.7745 11.7745 k = 0.1100 0.1100-0.0000 ( 6111 PWs) bands (ev): -20.1822 -20.1822 -20.0320 -20.0320 -16.0871 -16.0871 -16.0841 -16.0841 -7.9061 -7.9061 -7.5770 -7.5770 -6.6444 -6.6444 -6.5991 -6.5991 -4.8450 -4.8450 -4.6343 -4.6343 -4.5868 -4.5868 -4.5519 -4.5519 1.9496 1.9496 2.0653 2.0653 2.0851 2.0851 2.1646 2.1646 2.5220 2.5220 2.6340 2.6340 3.6464 3.6464 3.9794 3.9794 4.2051 4.2051 4.4055 4.4055 4.8511 4.8511 5.0192 5.0192 10.1833 10.1833 10.7191 10.7191 11.0311 11.0311 11.5991 11.5991 11.7190 11.7190 k = 0.1000 0.1000-0.0000 ( 6099 PWs) bands (ev): -20.1853 -20.1853 -20.0320 -20.0320 -16.0845 -16.0845 -16.0813 -16.0813 -7.9073 -7.9073 -7.5692 -7.5692 -6.6491 -6.6491 -6.5994 -6.5994 -4.8508 -4.8508 -4.6279 -4.6279 -4.5846 -4.5846 -4.5552 -4.5552 1.9445 1.9445 2.0604 2.0604 2.0819 2.0819 2.1612 2.1612 2.5300 2.5300 2.6298 2.6298 3.6396 3.6396 3.9852 3.9852 4.2141 4.2141 4.4254 4.4254 4.8777 4.8777 5.0259 5.0259 10.1152 10.1152 10.6686 10.6686 11.0268 11.0268 11.5567 11.5567 11.6611 11.6611 k = 0.0900 0.0900-0.0000 ( 6111 PWs) bands (ev): -20.1883 -20.1883 -20.0321 -20.0321 -16.0820 -16.0820 -16.0788 -16.0788 -7.9082 -7.9082 -7.5616 -7.5616 -6.6537 -6.6537 -6.5999 -6.5999 -4.8564 -4.8564 -4.6218 -4.6218 -4.5826 -4.5826 -4.5582 -4.5582 1.9399 1.9399 2.0561 2.0561 2.0790 2.0790 2.1583 2.1583 2.5369 2.5369 2.6262 2.6262 3.6324 3.6324 3.9898 3.9898 4.2229 4.2229 4.4442 4.4442 4.9049 4.9049 5.0321 5.0321 10.0529 10.0529 10.6167 10.6167 11.0227 11.0227 11.5161 11.5161 11.6126 11.6126 k = 0.0800 0.0800-0.0000 ( 6103 PWs) bands (ev): -20.1909 -20.1909 -20.0321 -20.0321 -16.0798 -16.0798 -16.0765 -16.0765 -7.9089 -7.9089 -7.5544 -7.5544 -6.6581 -6.6581 -6.6005 -6.6005 -4.8617 -4.8617 -4.6161 -4.6161 -4.5809 -4.5809 -4.5609 -4.5609 1.9358 1.9358 2.0523 2.0523 2.0762 2.0762 2.1558 2.1558 2.5427 2.5427 2.6234 2.6234 3.6250 3.6250 3.9936 3.9936 4.2314 4.2314 4.4613 4.4613 4.9321 4.9321 5.0376 5.0376 9.9965 9.9965 10.5648 10.5648 11.0189 11.0189 11.4784 11.4784 11.5725 11.5725 k = 0.0700 0.0700-0.0000 ( 6111 PWs) bands (ev): -20.1932 -20.1932 -20.0321 -20.0321 -16.0778 -16.0778 -16.0744 -16.0744 -7.9094 -7.9094 -7.5477 -7.5477 -6.6621 -6.6621 -6.6012 -6.6012 -4.8668 -4.8668 -4.6109 -4.6109 -4.5795 -4.5795 -4.5634 -4.5634 1.9322 1.9322 2.0490 2.0490 2.0737 2.0737 2.1536 2.1536 2.5473 2.5473 2.6213 2.6213 3.6179 3.6179 3.9967 3.9967 4.2395 4.2395 4.4762 4.4762 4.9586 4.9586 5.0427 5.0427 9.9463 9.9463 10.5145 10.5145 11.0154 11.0154 11.4446 11.4446 11.5395 11.5395 k = 0.0600 0.0600-0.0000 ( 6115 PWs) bands (ev): -20.1953 -20.1953 -20.0322 -20.0322 -16.0761 -16.0761 -16.0726 -16.0726 -7.9098 -7.9098 -7.5417 -7.5417 -6.6659 -6.6659 -6.6019 -6.6019 -4.8714 -4.8714 -4.6063 -4.6063 -4.5784 -4.5784 -4.5655 -4.5655 1.9291 1.9291 2.0462 2.0462 2.0713 2.0713 2.1518 2.1518 2.5508 2.5508 2.6200 2.6200 3.6112 3.6112 3.9994 3.9994 4.2469 4.2469 4.4889 4.4889 4.9832 4.9832 5.0476 5.0476 9.9024 9.9024 10.4674 10.4674 11.0122 11.0122 11.4152 11.4152 11.5124 11.5124 k = 0.0500 0.0500-0.0000 ( 6115 PWs) bands (ev): -20.1970 -20.1970 -20.0322 -20.0322 -16.0746 -16.0746 -16.0711 -16.0711 -7.9100 -7.9100 -7.5363 -7.5363 -6.6692 -6.6692 -6.6027 -6.6027 -4.8755 -4.8755 -4.6022 -4.6022 -4.5776 -4.5776 -4.5673 -4.5673 1.9265 1.9265 2.0438 2.0438 2.0693 2.0693 2.1502 2.1502 2.5533 2.5533 2.6194 2.6194 3.6052 3.6052 4.0016 4.0016 4.2536 4.2536 4.4993 4.4993 5.0048 5.0048 5.0526 5.0526 9.8651 9.8651 10.4249 10.4249 11.0094 11.0094 11.3907 11.3907 11.4901 11.4901 k = 0.0400 0.0400-0.0000 ( 6127 PWs) bands (ev): -20.1985 -20.1985 -20.0322 -20.0322 -16.0735 -16.0735 -16.0698 -16.0698 -7.9101 -7.9101 -7.5318 -7.5318 -6.6719 -6.6719 -6.6033 -6.6033 -4.8789 -4.8789 -4.5987 -4.5987 -4.5771 -4.5771 -4.5686 -4.5686 1.9244 1.9244 2.0419 2.0419 2.0675 2.0675 2.1490 2.1490 2.5549 2.5549 2.6193 2.6193 3.6000 3.6000 4.0034 4.0034 4.2593 4.2593 4.5076 4.5076 5.0220 5.0220 5.0584 5.0584 9.8343 9.8343 10.3884 10.3884 11.0070 11.0070 11.3708 11.3708 11.4724 11.4724 k = 0.0300 0.0300-0.0000 ( 6143 PWs) bands (ev): -20.1996 -20.1996 -20.0322 -20.0322 -16.0725 -16.0725 -16.0688 -16.0688 -7.9102 -7.9102 -7.5282 -7.5282 -6.6742 -6.6742 -6.6039 -6.6039 -4.8816 -4.8816 -4.5960 -4.5960 -4.5768 -4.5768 -4.5696 -4.5696 1.9229 1.9229 2.0405 2.0405 2.0661 2.0661 2.1480 2.1480 2.5558 2.5558 2.6195 2.6195 3.5959 3.5959 4.0049 4.0049 4.2640 4.2640 4.5138 4.5138 5.0336 5.0336 5.0655 5.0655 9.8102 9.8102 10.3588 10.3588 11.0051 11.0051 11.3556 11.3556 11.4587 11.4587 k = 0.0200 0.0200-0.0000 ( 6147 PWs) bands (ev): -20.2004 -20.2004 -20.0322 -20.0322 -16.0719 -16.0719 -16.0681 -16.0681 -7.9102 -7.9102 -7.5256 -7.5256 -6.6758 -6.6758 -6.6043 -6.6043 -4.8836 -4.8836 -4.5939 -4.5939 -4.5768 -4.5768 -4.5702 -4.5702 1.9218 1.9218 2.0395 2.0395 2.0650 2.0650 2.1473 2.1473 2.5564 2.5564 2.6197 2.6197 3.5928 3.5928 4.0059 4.0059 4.2674 4.2674 4.5182 4.5182 5.0400 5.0400 5.0729 5.0729 9.7930 9.7930 10.3370 10.3370 11.0037 11.0037 11.3448 11.3448 11.4491 11.4491 k = 0.0100 0.0100-0.0000 ( 6143 PWs) bands (ev): -20.2009 -20.2009 -20.0322 -20.0322 -16.0715 -16.0715 -16.0677 -16.0677 -7.9103 -7.9103 -7.5240 -7.5240 -6.6768 -6.6768 -6.6046 -6.6046 -4.8849 -4.8849 -4.5927 -4.5927 -4.5768 -4.5768 -4.5705 -4.5705 1.9211 1.9211 2.0388 2.0388 2.0644 2.0644 2.1468 2.1468 2.5566 2.5566 2.6200 2.6200 3.5910 3.5910 4.0066 4.0066 4.2694 4.2694 4.5207 4.5207 5.0430 5.0430 5.0782 5.0782 9.7826 9.7826 10.3237 10.3237 11.0029 11.0029 11.3384 11.3384 11.4434 11.4434 k = 0.0000 0.0000 0.0000 ( 6131 PWs) bands (ev): -20.2010 -20.2010 -20.0322 -20.0322 -16.0713 -16.0713 -16.0675 -16.0675 -7.9103 -7.9103 -7.5235 -7.5235 -6.6771 -6.6771 -6.6047 -6.6047 -4.8853 -4.8853 -4.5923 -4.5923 -4.5768 -4.5768 -4.5707 -4.5707 1.9209 1.9209 2.0386 2.0386 2.0642 2.0642 2.1467 2.1467 2.5567 2.5567 2.6201 2.6201 3.5903 3.5903 4.0068 4.0068 4.2701 4.2701 4.5216 4.5216 5.0440 5.0440 5.0802 5.0802 9.7791 9.7791 10.3193 10.3193 11.0026 11.0026 11.3363 11.3363 11.4415 11.4415 k = 0.0000 0.0000 0.0000 ( 6131 PWs) bands (ev): -20.2010 -20.2010 -20.0322 -20.0322 -16.0713 -16.0713 -16.0675 -16.0675 -7.9103 -7.9103 -7.5235 -7.5235 -6.6771 -6.6771 -6.6047 -6.6047 -4.8853 -4.8853 -4.5923 -4.5923 -4.5768 -4.5768 -4.5707 -4.5707 1.9209 1.9209 2.0386 2.0386 2.0642 2.0642 2.1467 2.1467 2.5567 2.5567 2.6201 2.6201 3.5903 3.5903 4.0068 4.0068 4.2701 4.2701 4.5216 4.5216 5.0440 5.0440 5.0802 5.0802 9.7791 9.7791 10.3193 10.3193 11.0026 11.0026 11.3363 11.3363 11.4415 11.4415 k = 0.0000 0.0000 0.0138 ( 6147 PWs) bands (ev): -20.2010 -20.2010 -20.0323 -20.0323 -16.0713 -16.0713 -16.0675 -16.0675 -7.9105 -7.9105 -7.5233 -7.5233 -6.6777 -6.6777 -6.6040 -6.6040 -4.8852 -4.8852 -4.5947 -4.5947 -4.5742 -4.5742 -4.5707 -4.5707 1.9205 1.9205 2.0386 2.0386 2.0642 2.0642 2.1468 2.1468 2.5565 2.5565 2.6198 2.6198 3.5907 3.5907 4.0072 4.0072 4.2706 4.2706 4.5207 4.5207 5.0422 5.0422 5.0799 5.0799 9.7806 9.7806 10.3234 10.3234 11.0066 11.0066 11.3358 11.3358 11.4395 11.4395 k = 0.0000 0.0000 0.0275 ( 6143 PWs) bands (ev): -20.2010 -20.2010 -20.0323 -20.0323 -16.0713 -16.0713 -16.0675 -16.0675 -7.9111 -7.9111 -7.5229 -7.5229 -6.6793 -6.6793 -6.6020 -6.6020 -4.8850 -4.8850 -4.5997 -4.5997 -4.5710 -4.5710 -4.5688 -4.5688 1.9193 1.9193 2.0386 2.0386 2.0645 2.0645 2.1470 2.1470 2.5558 2.5558 2.6192 2.6192 3.5920 3.5920 4.0086 4.0086 4.2720 4.2720 4.5180 4.5180 5.0371 5.0371 5.0791 5.0791 9.7852 9.7852 10.3356 10.3356 11.0188 11.0188 11.3338 11.3338 11.4341 11.4341 k = 0.0000 0.0000 0.0413 ( 6151 PWs) bands (ev): -20.2009 -20.2009 -20.0324 -20.0324 -16.0713 -16.0713 -16.0675 -16.0675 -7.9122 -7.9122 -7.5223 -7.5223 -6.6818 -6.6818 -6.5989 -6.5989 -4.8847 -4.8847 -4.6052 -4.6052 -4.5713 -4.5713 -4.5624 -4.5624 1.9174 1.9174 2.0386 2.0386 2.0649 2.0649 2.1474 2.1474 2.5547 2.5547 2.6182 2.6182 3.5941 3.5941 4.0109 4.0109 4.2742 4.2742 4.5136 4.5136 5.0287 5.0287 5.0777 5.0777 9.7928 9.7928 10.3558 10.3558 11.0390 11.0390 11.3294 11.3294 11.4265 11.4265 k = 0.0000 0.0000 0.0551 ( 6143 PWs) bands (ev): -20.2008 -20.2008 -20.0325 -20.0325 -16.0713 -16.0713 -16.0675 -16.0675 -7.9137 -7.9137 -7.5213 -7.5213 -6.6850 -6.6850 -6.5950 -6.5950 -4.8843 -4.8843 -4.6108 -4.6108 -4.5718 -4.5718 -4.5556 -4.5556 1.9148 1.9148 2.0385 2.0385 2.0654 2.0654 2.1479 2.1479 2.5533 2.5533 2.6168 2.6168 3.5970 3.5970 4.0141 4.0141 4.2773 4.2773 4.5073 4.5073 5.0173 5.0173 5.0758 5.0758 9.8035 9.8035 10.3836 10.3836 11.0669 11.0669 11.3205 11.3205 11.4188 11.4188 k = 0.0000 0.0000 0.0688 ( 6143 PWs) bands (ev): -20.2007 -20.2007 -20.0326 -20.0326 -16.0713 -16.0713 -16.0675 -16.0675 -7.9156 -7.9156 -7.5202 -7.5202 -6.6886 -6.6886 -6.5905 -6.5905 -4.8837 -4.8837 -4.6163 -4.6163 -4.5724 -4.5724 -4.5488 -4.5488 1.9116 1.9116 2.0384 2.0384 2.0660 2.0660 2.1486 2.1486 2.5514 2.5514 2.6151 2.6151 3.6008 3.6008 4.0181 4.0181 4.2813 4.2813 4.4992 4.4992 5.0034 5.0034 5.0733 5.0733 9.8171 9.8171 10.4186 10.4186 11.1021 11.1021 11.3050 11.3050 11.4134 11.4134 k = 0.0000 0.0000 0.0826 ( 6139 PWs) bands (ev): -20.2005 -20.2005 -20.0327 -20.0327 -16.0713 -16.0713 -16.0675 -16.0675 -7.9177 -7.9177 -7.5189 -7.5189 -6.6924 -6.6924 -6.5855 -6.5855 -4.8831 -4.8831 -4.6215 -4.6215 -4.5732 -4.5732 -4.5419 -4.5419 1.9078 1.9078 2.0383 2.0383 2.0667 2.0667 2.1494 2.1494 2.5492 2.5492 2.6130 2.6130 3.6055 3.6055 4.0228 4.0228 4.2859 4.2859 4.4893 4.4893 4.9872 4.9872 5.0705 5.0705 9.8337 9.8337 10.4602 10.4602 11.1443 11.1443 11.2819 11.2819 11.4117 11.4117 k = 0.0000 0.0000 0.0964 ( 6139 PWs) bands (ev): -20.2004 -20.2004 -20.0329 -20.0329 -16.0713 -16.0713 -16.0675 -16.0675 -7.9202 -7.9202 -7.5175 -7.5175 -6.6963 -6.6963 -6.5803 -6.5803 -4.8823 -4.8823 -4.6264 -4.6264 -4.5740 -4.5740 -4.5351 -4.5351 1.9035 1.9035 2.0382 2.0382 2.0674 2.0674 2.1503 2.1503 2.5468 2.5468 2.6106 2.6106 3.6111 3.6111 4.0283 4.0283 4.2912 4.2912 4.4774 4.4774 4.9692 4.9692 5.0671 5.0671 9.8532 9.8532 10.5077 10.5077 11.1927 11.1927 11.2516 11.2516 11.4136 11.4136 k = 0.0000 0.0000 0.1102 ( 6124 PWs) bands (ev): -20.2002 -20.2002 -20.0331 -20.0331 -16.0713 -16.0713 -16.0675 -16.0675 -7.9228 -7.9228 -7.5159 -7.5159 -6.7001 -6.7001 -6.5750 -6.5750 -4.8815 -4.8815 -4.6310 -4.6310 -4.5749 -4.5749 -4.5284 -4.5284 1.8988 1.8988 2.0381 2.0381 2.0682 2.0682 2.1513 2.1513 2.5441 2.5441 2.6081 2.6081 3.6177 3.6177 4.0344 4.0344 4.2971 4.2971 4.4636 4.4636 4.9501 4.9501 5.0635 5.0635 9.8756 9.8756 10.5605 10.5605 11.2154 11.2154 11.2468 11.2468 11.4183 11.4183 k = 0.0000 0.0000 0.1239 ( 6124 PWs) bands (ev): -20.2000 -20.2000 -20.0333 -20.0333 -16.0712 -16.0712 -16.0675 -16.0675 -7.9256 -7.9256 -7.5143 -7.5143 -6.7039 -6.7039 -6.5697 -6.5697 -4.8806 -4.8806 -4.6354 -4.6354 -4.5759 -4.5759 -4.5218 -4.5218 1.8938 1.8938 2.0380 2.0380 2.0690 2.0690 2.1524 2.1524 2.5412 2.5412 2.6053 2.6053 3.6252 3.6252 4.0411 4.0411 4.3034 4.3034 4.4480 4.4480 4.9302 4.9302 5.0595 5.0595 9.9008 9.9008 10.6177 10.6177 11.1742 11.1742 11.3055 11.3055 11.4251 11.4251 k = 0.0000 0.0000 0.1377 ( 6136 PWs) bands (ev): -20.1998 -20.1998 -20.0335 -20.0335 -16.0712 -16.0712 -16.0675 -16.0675 -7.9285 -7.9285 -7.5126 -7.5126 -6.7075 -6.7075 -6.5645 -6.5645 -4.8797 -4.8797 -4.6393 -4.6393 -4.5770 -4.5770 -4.5155 -4.5155 1.8886 1.8886 2.0378 2.0378 2.0699 2.0699 2.1535 2.1535 2.5383 2.5383 2.6024 2.6024 3.6335 3.6335 4.0483 4.0483 4.3100 4.3100 4.4306 4.4306 4.9102 4.9102 5.0553 5.0553 9.9287 9.9287 10.6786 10.6786 11.1291 11.1291 11.3678 11.3678 11.4334 11.4334 k = 0.0000 0.0000 0.1515 ( 6128 PWs) bands (ev): -20.1996 -20.1996 -20.0337 -20.0337 -16.0712 -16.0712 -16.0675 -16.0675 -7.9314 -7.9314 -7.5109 -7.5109 -6.7110 -6.7110 -6.5595 -6.5595 -4.8788 -4.8788 -4.6430 -4.6430 -4.5780 -4.5780 -4.5095 -4.5095 1.8833 1.8833 2.0377 2.0377 2.0707 2.0707 2.1547 2.1547 2.5352 2.5352 2.5995 2.5995 3.6428 3.6428 4.0558 4.0558 4.3168 4.3168 4.4115 4.4115 4.8904 4.8904 5.0509 5.0509 9.9593 9.9593 10.7421 10.7421 11.0807 11.0807 11.4323 11.4323 11.4428 11.4428 k = 0.0000 0.0000 0.1652 ( 6132 PWs) bands (ev): -20.1994 -20.1994 -20.0339 -20.0339 -16.0712 -16.0712 -16.0675 -16.0675 -7.9343 -7.9343 -7.5093 -7.5093 -6.7141 -6.7141 -6.5547 -6.5547 -4.8778 -4.8778 -4.6463 -4.6463 -4.5791 -4.5791 -4.5038 -4.5038 1.8780 1.8780 2.0375 2.0375 2.0714 2.0714 2.1559 2.1559 2.5322 2.5322 2.5965 2.5965 3.6528 3.6528 4.0636 4.0636 4.3238 4.3238 4.3910 4.3910 4.8714 4.8714 5.0464 5.0464 9.9924 9.9924 10.8074 10.8074 11.0298 11.0298 11.4530 11.4530 11.4973 11.4973 k = 0.0000 0.0000 0.1790 ( 6120 PWs) bands (ev): -20.1992 -20.1992 -20.0341 -20.0341 -16.0712 -16.0712 -16.0675 -16.0675 -7.9370 -7.9370 -7.5077 -7.5077 -6.7170 -6.7170 -6.5502 -6.5502 -4.8769 -4.8769 -4.6493 -4.6493 -4.5802 -4.5802 -4.4985 -4.4985 1.8729 1.8729 2.0374 2.0374 2.0722 2.0722 2.1571 2.1571 2.5293 2.5293 2.5936 2.5936 3.6635 3.6635 4.0715 4.0715 4.3306 4.3306 4.3693 4.3693 4.8534 4.8534 5.0419 5.0419 10.0281 10.0281 10.8736 10.8736 10.9770 10.9770 11.4636 11.4636 11.5607 11.5607 k = 0.0000 0.0000 0.1928 ( 6124 PWs) bands (ev): -20.1990 -20.1990 -20.0343 -20.0343 -16.0712 -16.0712 -16.0675 -16.0675 -7.9397 -7.9397 -7.5062 -7.5062 -6.7197 -6.7197 -6.5461 -6.5461 -4.8760 -4.8760 -4.6519 -4.6519 -4.5812 -4.5812 -4.4936 -4.4936 1.8679 1.8679 2.0373 2.0373 2.0729 2.0729 2.1583 2.1583 2.5264 2.5264 2.5908 2.5908 3.6747 3.6747 4.0795 4.0795 4.3373 4.3373 4.3469 4.3469 4.8367 4.8367 5.0375 5.0375 10.0660 10.0660 10.9226 10.9226 10.9396 10.9396 11.4745 11.4745 11.6201 11.6201 k = 0.0000 0.0000 0.2065 ( 6116 PWs) bands (ev): -20.1989 -20.1989 -20.0345 -20.0345 -16.0712 -16.0712 -16.0675 -16.0675 -7.9421 -7.9421 -7.5048 -7.5048 -6.7220 -6.7220 -6.5423 -6.5423 -4.8751 -4.8751 -4.6542 -4.6542 -4.5821 -4.5821 -4.4891 -4.4891 1.8632 1.8632 2.0371 2.0371 2.0735 2.0735 2.1594 2.1594 2.5238 2.5238 2.5881 2.5881 3.6861 3.6861 4.0874 4.0874 4.3242 4.3242 4.3436 4.3436 4.8217 4.8217 5.0334 5.0334 10.1061 10.1061 10.8673 10.8673 11.0043 11.0043 11.4852 11.4852 11.6728 11.6728 k = 0.0000 0.0000 0.2203 ( 6116 PWs) bands (ev): -20.1987 -20.1987 -20.0347 -20.0347 -16.0712 -16.0712 -16.0675 -16.0675 -7.9443 -7.9443 -7.5036 -7.5036 -6.7240 -6.7240 -6.5390 -6.5390 -4.8743 -4.8743 -4.6562 -4.6562 -4.5830 -4.5830 -4.4852 -4.4852 1.8590 1.8590 2.0370 2.0370 2.0741 2.0741 2.1604 2.1604 2.5214 2.5214 2.5857 2.5857 3.6974 3.6974 4.0952 4.0952 4.3018 4.3018 4.3494 4.3494 4.8084 4.8084 5.0295 5.0295 10.1481 10.1481 10.8115 10.8115 11.0667 11.0667 11.4956 11.4956 11.7161 11.7161 k = 0.0000 0.0000 0.2341 ( 6108 PWs) bands (ev): -20.1985 -20.1985 -20.0349 -20.0349 -16.0712 -16.0712 -16.0675 -16.0675 -7.9463 -7.9463 -7.5026 -7.5026 -6.7258 -6.7258 -6.5361 -6.5361 -4.8736 -4.8736 -4.6579 -4.6579 -4.5838 -4.5838 -4.4818 -4.4818 1.8553 1.8553 2.0369 2.0369 2.0745 2.0745 2.1613 2.1613 2.5193 2.5193 2.5836 2.5836 3.7083 3.7083 4.1027 4.1027 4.2803 4.2803 4.3546 4.3546 4.7970 4.7970 5.0260 5.0260 10.1917 10.1917 10.7558 10.7558 11.1252 11.1252 11.5052 11.5052 11.7481 11.7481 k = 0.0000 0.0000 0.2478 ( 6100 PWs) bands (ev): -20.1984 -20.1984 -20.0350 -20.0350 -16.0711 -16.0711 -16.0675 -16.0675 -7.9479 -7.9479 -7.5017 -7.5017 -6.7272 -6.7272 -6.5338 -6.5338 -4.8730 -4.8730 -4.6593 -4.6593 -4.5845 -4.5845 -4.4790 -4.4790 1.8521 1.8521 2.0368 2.0368 2.0749 2.0749 2.1621 2.1621 2.5175 2.5175 2.5818 2.5818 3.7183 3.7183 4.1099 4.1099 4.2604 4.2604 4.3590 4.3590 4.7875 4.7875 5.0230 5.0230 10.2364 10.2364 10.7009 10.7009 11.1784 11.1784 11.5137 11.5137 11.7683 11.7683 k = 0.0000 0.0000 0.2616 ( 6092 PWs) bands (ev): -20.1983 -20.1983 -20.0351 -20.0351 -16.0711 -16.0711 -16.0675 -16.0675 -7.9492 -7.9492 -7.5010 -7.5010 -6.7283 -6.7283 -6.5319 -6.5319 -4.8726 -4.8726 -4.6603 -4.6603 -4.5850 -4.5850 -4.4768 -4.4768 1.8496 1.8496 2.0368 2.0368 2.0753 2.0753 2.1627 2.1627 2.5161 2.5161 2.5804 2.5804 3.7268 3.7268 4.1165 4.1165 4.2430 4.2430 4.3626 4.3626 4.7801 4.7801 5.0206 5.0206 10.2814 10.2814 10.6479 10.6479 11.2240 11.2240 11.5208 11.5208 11.7781 11.7781 k = 0.0000 0.0000 0.2754 ( 6112 PWs) bands (ev): -20.1983 -20.1983 -20.0352 -20.0352 -16.0711 -16.0711 -16.0675 -16.0675 -7.9502 -7.9502 -7.5004 -7.5004 -6.7290 -6.7290 -6.5305 -6.5305 -4.8722 -4.8722 -4.6611 -4.6611 -4.5854 -4.5854 -4.4752 -4.4752 1.8477 1.8477 2.0367 2.0367 2.0755 2.0755 2.1631 2.1631 2.5150 2.5150 2.5793 2.5793 3.7334 3.7334 4.1221 4.1221 4.2290 4.2290 4.3652 4.3652 4.7748 4.7748 5.0188 5.0188 10.3245 10.3245 10.5990 10.5990 11.2596 11.2596 11.5261 11.5261 11.7808 11.7808 k = 0.0000 0.0000 0.2891 ( 6108 PWs) bands (ev): -20.1982 -20.1982 -20.0352 -20.0352 -16.0711 -16.0711 -16.0675 -16.0675 -7.9507 -7.9507 -7.5001 -7.5001 -6.7295 -6.7295 -6.5297 -6.5297 -4.8720 -4.8720 -4.6615 -4.6615 -4.5856 -4.5856 -4.4743 -4.4743 1.8466 1.8466 2.0367 2.0367 2.0756 2.0756 2.1634 2.1634 2.5144 2.5144 2.5786 2.5786 3.7376 3.7376 4.1262 4.1262 4.2198 4.2198 4.3668 4.3668 4.7716 4.7716 5.0177 5.0177 10.3605 10.3605 10.5594 10.5594 11.2825 11.2825 11.5295 11.5295 11.7801 11.7801 k = 0.0000 0.0000 0.3029 ( 6120 PWs) bands (ev): -20.1982 -20.1982 -20.0352 -20.0352 -16.0711 -16.0711 -16.0675 -16.0675 -7.9509 -7.9509 -7.5000 -7.5000 -6.7297 -6.7297 -6.5294 -6.5294 -4.8719 -4.8719 -4.6617 -4.6617 -4.5857 -4.5857 -4.4740 -4.4740 1.8462 1.8462 2.0366 2.0366 2.0757 2.0757 2.1635 2.1635 2.5142 2.5142 2.5784 2.5784 3.7390 3.7390 4.1277 4.1277 4.2165 4.2165 4.3674 4.3674 4.7705 4.7705 5.0174 5.0174 10.3764 10.3764 10.5424 10.5424 11.2905 11.2905 11.5306 11.5306 11.7794 11.7794 k = 0.0000 0.0000 0.3029 ( 6120 PWs) bands (ev): -20.1982 -20.1982 -20.0352 -20.0352 -16.0711 -16.0711 -16.0675 -16.0675 -7.9509 -7.9509 -7.5000 -7.5000 -6.7297 -6.7297 -6.5294 -6.5294 -4.8719 -4.8719 -4.6617 -4.6617 -4.5857 -4.5857 -4.4740 -4.4740 1.8462 1.8462 2.0366 2.0366 2.0757 2.0757 2.1635 2.1635 2.5142 2.5142 2.5784 2.5784 3.7390 3.7390 4.1277 4.1277 4.2165 4.2165 4.3674 4.3674 4.7705 4.7705 5.0174 5.0174 10.3764 10.3764 10.5424 10.5424 11.2905 11.2905 11.5306 11.5306 11.7794 11.7794 k = 0.0000 0.0143 0.3029 ( 6112 PWs) bands (ev): -20.1980 -20.1980 -20.0352 -20.0352 -16.0713 -16.0713 -16.0676 -16.0676 -7.9510 -7.9510 -7.5005 -7.5005 -6.7294 -6.7294 -6.5293 -6.5293 -4.8715 -4.8715 -4.6619 -4.6619 -4.5855 -4.5855 -4.4742 -4.4742 1.8469 1.8469 2.0368 2.0368 2.0758 2.0758 2.1636 2.1636 2.5142 2.5142 2.5784 2.5784 3.7383 3.7383 4.1197 4.1197 4.2196 4.2196 4.3703 4.3703 4.7705 4.7705 5.0162 5.0162 10.3793 10.3793 10.5451 10.5451 11.2919 11.2919 11.5306 11.5306 11.7778 11.7778 k = 0.0000 0.0286 0.3029 ( 6108 PWs) bands (ev): -20.1975 -20.1975 -20.0352 -20.0352 -16.0717 -16.0717 -16.0681 -16.0681 -7.9512 -7.9512 -7.5019 -7.5019 -6.7286 -6.7286 -6.5289 -6.5289 -4.8703 -4.8703 -4.6625 -4.6625 -4.5849 -4.5849 -4.4750 -4.4750 1.8491 1.8491 2.0373 2.0373 2.0762 2.0762 2.1637 2.1637 2.5142 2.5142 2.5784 2.5784 3.7360 3.7360 4.0995 4.0995 4.2260 4.2260 4.3787 4.3787 4.7706 4.7706 5.0129 5.0129 10.3881 10.3881 10.5533 10.5533 11.2960 11.2960 11.5306 11.5306 11.7730 11.7730 k = 0.0000 0.0429 0.3029 ( 6112 PWs) bands (ev): -20.1967 -20.1967 -20.0352 -20.0352 -16.0724 -16.0724 -16.0688 -16.0688 -7.9515 -7.9515 -7.5041 -7.5041 -6.7273 -6.7273 -6.5282 -6.5282 -4.8683 -4.8683 -4.6636 -4.6636 -4.5839 -4.5839 -4.4762 -4.4762 1.8528 1.8528 2.0382 2.0382 2.0770 2.0770 2.1639 2.1639 2.5141 2.5141 2.5785 2.5785 3.7322 3.7322 4.0721 4.0721 4.2319 4.2319 4.3910 4.3910 4.7707 4.7707 5.0073 5.0073 10.4027 10.4027 10.5668 10.5668 11.3026 11.3026 11.5308 11.5308 11.7650 11.7650 k = 0.0000 0.0571 0.3029 ( 6104 PWs) bands (ev): -20.1956 -20.1956 -20.0351 -20.0351 -16.0733 -16.0733 -16.0698 -16.0698 -7.9518 -7.9518 -7.5073 -7.5073 -6.7256 -6.7256 -6.5273 -6.5273 -4.8655 -4.8655 -4.6650 -4.6650 -4.5826 -4.5826 -4.4779 -4.4779 1.8579 1.8579 2.0394 2.0394 2.0780 2.0780 2.1641 2.1641 2.5137 2.5137 2.5789 2.5789 3.7269 3.7269 4.0408 4.0408 4.2358 4.2358 4.4057 4.4057 4.7711 4.7711 4.9996 4.9996 10.4229 10.4229 10.5855 10.5855 11.3117 11.3117 11.5311 11.5311 11.7542 11.7542 k = 0.0000 0.0714 0.3029 ( 6114 PWs) bands (ev): -20.1942 -20.1942 -20.0351 -20.0351 -16.0745 -16.0745 -16.0711 -16.0711 -7.9523 -7.9523 -7.5114 -7.5114 -6.7233 -6.7233 -6.5261 -6.5261 -4.8619 -4.8619 -4.6668 -4.6668 -4.5810 -4.5810 -4.4801 -4.4801 1.8643 1.8643 2.0410 2.0410 2.0794 2.0794 2.1645 2.1645 2.5127 2.5127 2.5796 2.5796 3.7199 3.7199 4.0074 4.0074 4.2379 4.2379 4.4208 4.4208 4.7720 4.7720 4.9899 4.9899 10.4486 10.4486 10.6091 10.6091 11.3230 11.3230 11.5317 11.5317 11.7408 11.7408 k = 0.0000 0.0857 0.3029 ( 6114 PWs) bands (ev): -20.1924 -20.1924 -20.0351 -20.0351 -16.0760 -16.0760 -16.0726 -16.0726 -7.9527 -7.9527 -7.5162 -7.5162 -6.7205 -6.7205 -6.5248 -6.5248 -4.8576 -4.8576 -4.6688 -4.6688 -4.5792 -4.5792 -4.4827 -4.4827 1.8721 1.8721 2.0429 2.0429 2.0811 2.0811 2.1650 2.1650 2.5109 2.5109 2.5808 2.5808 3.7113 3.7113 3.9730 3.9730 4.2385 4.2385 4.4352 4.4352 4.7734 4.7734 4.9784 4.9784 10.4795 10.4795 10.6374 10.6374 11.3361 11.3361 11.5326 11.5326 11.7252 11.7252 k = 0.0000 0.1000 0.3029 ( 6112 PWs) bands (ev): -20.1904 -20.1904 -20.0351 -20.0351 -16.0777 -16.0777 -16.0744 -16.0744 -7.9532 -7.9532 -7.5220 -7.5220 -6.7173 -6.7173 -6.5233 -6.5233 -4.8526 -4.8526 -4.6709 -4.6709 -4.5772 -4.5772 -4.4858 -4.4858 1.8810 1.8810 2.0452 2.0452 2.0831 2.0831 2.1655 2.1655 2.5081 2.5081 2.5824 2.5824 3.7010 3.7010 3.9387 3.9387 4.2380 4.2380 4.4477 4.4477 4.7756 4.7756 4.9651 4.9651 10.5152 10.5152 10.6700 10.6700 11.3508 11.3508 11.5342 11.5342 11.7080 11.7080 k = 0.0000 0.1143 0.3029 ( 6112 PWs) bands (ev): -20.1881 -20.1881 -20.0351 -20.0351 -16.0797 -16.0797 -16.0765 -16.0765 -7.9537 -7.9537 -7.5284 -7.5284 -6.7137 -6.7137 -6.5217 -6.5217 -4.8469 -4.8469 -4.6732 -4.6732 -4.5752 -4.5752 -4.4892 -4.4892 1.8911 1.8911 2.0479 2.0479 2.0854 2.0854 2.1661 2.1661 2.5043 2.5043 2.5845 2.5845 3.6888 3.6888 3.9051 3.9051 4.2367 4.2367 4.4578 4.4578 4.7786 4.7786 4.9503 4.9503 10.5555 10.5555 10.7063 10.7063 11.3666 11.3666 11.5364 11.5364 11.6897 11.6897 k = 0.0000 0.1286 0.3029 ( 6114 PWs) bands (ev): -20.1855 -20.1855 -20.0351 -20.0351 -16.0818 -16.0818 -16.0787 -16.0787 -7.9541 -7.9541 -7.5357 -7.5357 -6.7096 -6.7096 -6.5200 -6.5200 -4.8406 -4.8406 -4.6755 -4.6755 -4.5732 -4.5732 -4.4929 -4.4929 1.9023 1.9023 2.0510 2.0510 2.0882 2.0882 2.1668 2.1668 2.4995 2.4995 2.5868 2.5868 3.6748 3.6748 3.8729 3.8729 4.2348 4.2348 4.4651 4.4651 4.7824 4.7824 4.9342 4.9342 10.5999 10.5999 10.7457 10.7457 11.3831 11.3831 11.5395 11.5395 11.6711 11.6711 k = 0.0000 0.1429 0.3029 ( 6102 PWs) bands (ev): -20.1826 -20.1826 -20.0351 -20.0351 -16.0842 -16.0842 -16.0812 -16.0812 -7.9544 -7.9544 -7.5436 -7.5436 -6.7052 -6.7052 -6.5183 -6.5183 -4.8336 -4.8336 -4.6778 -4.6778 -4.5712 -4.5712 -4.4969 -4.4969 1.9143 1.9143 2.0546 2.0546 2.0912 2.0912 2.1675 2.1675 2.4936 2.4936 2.5891 2.5891 3.6589 3.6589 3.8427 3.8427 4.2325 4.2325 4.4695 4.4695 4.7868 4.7868 4.9169 4.9169 10.6479 10.6479 10.7875 10.7875 11.4001 11.4001 11.5436 11.5436 11.6531 11.6531 k = 0.0000 0.1571 0.3029 ( 6102 PWs) bands (ev): -20.1794 -20.1794 -20.0352 -20.0352 -16.0867 -16.0867 -16.0838 -16.0838 -7.9545 -7.9545 -7.5522 -7.5522 -6.7004 -6.7004 -6.5167 -6.5167 -4.8262 -4.8262 -4.6801 -4.6801 -4.5694 -4.5694 -4.5010 -4.5010 1.9272 1.9272 2.0585 2.0585 2.0947 2.0947 2.1684 2.1684 2.4868 2.4868 2.5910 2.5910 3.6412 3.6412 3.8150 3.8150 4.2298 4.2298 4.4711 4.4711 4.7916 4.7916 4.8988 4.8988 10.6989 10.6989 10.8307 10.8307 11.4172 11.4172 11.5488 11.5488 11.6368 11.6368 k = 0.0000 0.1714 0.3029 ( 6104 PWs) bands (ev): -20.1761 -20.1761 -20.0353 -20.0353 -16.0894 -16.0894 -16.0866 -16.0866 -7.9544 -7.9544 -7.5614 -7.5614 -6.6954 -6.6954 -6.5151 -6.5151 -4.8183 -4.8183 -4.6822 -4.6822 -4.5679 -4.5679 -4.5053 -4.5053 1.9406 1.9406 2.0628 2.0628 2.0985 2.0985 2.1693 2.1693 2.4792 2.4792 2.5922 2.5922 3.6221 3.6221 3.7900 3.7900 4.2269 4.2269 4.4702 4.4702 4.7965 4.7965 4.8801 4.8801 10.7522 10.7522 10.8741 10.8741 11.4343 11.4343 11.5550 11.5550 11.6236 11.6236 k = 0.0000 0.1857 0.3029 ( 6090 PWs) bands (ev): -20.1725 -20.1725 -20.0355 -20.0355 -16.0922 -16.0922 -16.0895 -16.0895 -7.9541 -7.9541 -7.5711 -7.5711 -6.6900 -6.6900 -6.5136 -6.5136 -4.8100 -4.8100 -4.6840 -4.6840 -4.5668 -4.5668 -4.5094 -4.5094 1.9545 1.9545 2.0675 2.0675 2.1027 2.1027 2.1704 2.1704 2.4709 2.4709 2.5925 2.5925 3.6022 3.6022 3.7676 3.7676 4.2238 4.2238 4.4670 4.4670 4.8011 4.8011 4.8610 4.8610 10.8070 10.8070 10.9162 10.9162 11.4513 11.4513 11.5622 11.5622 11.6151 11.6151 k = 0.0000 0.2000 0.3029 ( 6092 PWs) bands (ev): -20.1687 -20.1687 -20.0358 -20.0358 -16.0952 -16.0952 -16.0925 -16.0925 -7.9536 -7.9536 -7.5814 -7.5814 -6.6844 -6.6844 -6.5123 -6.5123 -4.8014 -4.8014 -4.6856 -4.6856 -4.5663 -4.5663 -4.5134 -4.5134 1.9687 1.9687 2.0726 2.0726 2.1073 2.1073 2.1715 2.1715 2.4620 2.4620 2.5914 2.5914 3.5821 3.5821 3.7476 3.7476 4.2208 4.2208 4.4618 4.4618 4.8044 4.8044 4.8424 4.8424 10.8622 10.8622 10.9555 10.9555 11.4686 11.4686 11.5702 11.5702 11.6131 11.6131 k = 0.0000 0.2143 0.3029 ( 6084 PWs) bands (ev): -20.1647 -20.1647 -20.0361 -20.0361 -16.0982 -16.0982 -16.0956 -16.0956 -7.9527 -7.9527 -7.5922 -7.5922 -6.6786 -6.6786 -6.5112 -6.5112 -4.7926 -4.7926 -4.6868 -4.6868 -4.5666 -4.5666 -4.5170 -4.5170 1.9831 1.9831 2.0781 2.0781 2.1123 2.1123 2.1728 2.1728 2.4526 2.4526 2.5888 2.5888 3.5626 3.5626 3.7299 3.7299 4.2177 4.2177 4.4550 4.4550 4.8042 4.8042 4.8265 4.8265 10.9165 10.9165 10.9901 10.9901 11.4867 11.4867 11.5791 11.5791 11.6190 11.6190 k = 0.0000 0.2286 0.3029 ( 6092 PWs) bands (ev): -20.1605 -20.1605 -20.0366 -20.0366 -16.1014 -16.1014 -16.0988 -16.0988 -7.9514 -7.9514 -7.6033 -7.6033 -6.6726 -6.6726 -6.5103 -6.5103 -4.7838 -4.7838 -4.6876 -4.6876 -4.5677 -4.5677 -4.5201 -4.5201 1.9973 1.9973 2.0839 2.0839 2.1177 2.1177 2.1741 2.1741 2.4427 2.4427 2.5845 2.5845 3.5444 3.5444 3.7140 3.7140 4.2147 4.2147 4.4468 4.4468 4.7942 4.7942 4.8196 4.8196 10.9684 10.9684 11.0186 11.0186 11.5063 11.5063 11.5905 11.5905 11.6326 11.6326 k = 0.0000 0.2429 0.3029 ( 6088 PWs) bands (ev): -20.1562 -20.1562 -20.0371 -20.0371 -16.1045 -16.1045 -16.1021 -16.1021 -7.9498 -7.9498 -7.6148 -7.6148 -6.6665 -6.6665 -6.5097 -6.5097 -4.7751 -4.7751 -4.6877 -4.6877 -4.5699 -4.5699 -4.5225 -4.5225 2.0113 2.0113 2.0901 2.0901 2.1235 2.1235 2.1756 2.1756 2.4326 2.4326 2.5782 2.5782 3.5281 3.5281 3.6998 3.6998 4.2119 4.2119 4.4375 4.4375 4.7774 4.7774 4.8186 4.8186 11.0158 11.0158 11.0406 11.0406 11.5285 11.5285 11.6055 11.6055 11.6532 11.6532 k = 0.0000 0.2571 0.3029 ( 6084 PWs) bands (ev): -20.1517 -20.1517 -20.0378 -20.0378 -16.1077 -16.1077 -16.1053 -16.1053 -7.9477 -7.9477 -7.6267 -7.6267 -6.6602 -6.6602 -6.5093 -6.5093 -4.7665 -4.7665 -4.6872 -4.6872 -4.5731 -4.5731 -4.5242 -4.5242 2.0247 2.0247 2.0964 2.0964 2.1298 2.1298 2.1773 2.1773 2.4221 2.4221 2.5700 2.5700 3.5140 3.5140 3.6870 3.6870 4.2092 4.2092 4.4274 4.4274 4.7595 4.7595 4.8180 4.8180 11.0501 11.0501 11.0626 11.0626 11.5544 11.5544 11.6244 11.6244 11.6802 11.6802 k = 0.0000 0.2714 0.3029 ( 6086 PWs) bands (ev): -20.1472 -20.1472 -20.0385 -20.0385 -16.1109 -16.1109 -16.1085 -16.1085 -7.9452 -7.9452 -7.6388 -7.6388 -6.6538 -6.6538 -6.5093 -6.5093 -4.7585 -4.7585 -4.6858 -4.6858 -4.5772 -4.5772 -4.5253 -4.5253 2.0375 2.0375 2.1030 2.1030 2.1367 2.1367 2.1791 2.1791 2.4115 2.4115 2.5598 2.5598 3.5025 3.5025 3.6755 3.6755 4.2068 4.2068 4.4165 4.4165 4.7419 4.7419 4.8165 4.8165 11.0603 11.0603 11.0951 11.0951 11.5848 11.5848 11.6467 11.6467 11.7126 11.7126 k = 0.0000 0.2857 0.3029 ( 6078 PWs) bands (ev): -20.1425 -20.1425 -20.0395 -20.0395 -16.1140 -16.1140 -16.1117 -16.1117 -7.9422 -7.9422 -7.6512 -7.6512 -6.6474 -6.6474 -6.5096 -6.5096 -4.7510 -4.7510 -4.6834 -4.6834 -4.5819 -4.5819 -4.5261 -4.5261 2.0495 2.0495 2.1097 2.1097 2.1440 2.1440 2.1812 2.1812 2.4007 2.4007 2.5477 2.5477 3.4938 3.4938 3.6652 3.6652 4.2047 4.2047 4.4050 4.4050 4.7250 4.7250 4.8137 4.8137 11.0632 11.0632 11.1212 11.1212 11.6193 11.6193 11.6727 11.6727 11.7489 11.7489 k = 0.0000 0.3000 0.3029 ( 6078 PWs) bands (ev): -20.1378 -20.1378 -20.0405 -20.0405 -16.1171 -16.1171 -16.1149 -16.1149 -7.9387 -7.9387 -7.6637 -7.6637 -6.6409 -6.6409 -6.5103 -6.5103 -4.7443 -4.7443 -4.6800 -4.6800 -4.5872 -4.5872 -4.5267 -4.5267 2.0605 2.0605 2.1163 2.1163 2.1519 2.1519 2.1836 2.1836 2.3899 2.3899 2.5340 2.5340 3.4877 3.4877 3.6559 3.6559 4.2030 4.2030 4.3932 4.3932 4.7092 4.7092 4.8095 4.8095 11.0622 11.0622 11.1393 11.1393 11.6563 11.6563 11.7034 11.7034 11.7867 11.7867 k = 0.0000 0.3143 0.3029 ( 6086 PWs) bands (ev): -20.1330 -20.1330 -20.0417 -20.0417 -16.1201 -16.1201 -16.1179 -16.1179 -7.9347 -7.9347 -7.6764 -7.6764 -6.6344 -6.6344 -6.5113 -6.5113 -4.7385 -4.7385 -4.6755 -4.6755 -4.5926 -4.5926 -4.5272 -4.5272 2.0706 2.0706 2.1227 2.1227 2.1603 2.1603 2.1863 2.1863 2.3791 2.3791 2.5187 2.5187 3.4843 3.4843 3.6476 3.6476 4.2016 4.2016 4.3811 4.3811 4.6947 4.6947 4.8040 4.8040 11.0586 11.0586 11.1497 11.1497 11.6929 11.6929 11.7403 11.7403 11.8239 11.8239 k = 0.0000 0.3286 0.3029 ( 6086 PWs) bands (ev): -20.1281 -20.1281 -20.0431 -20.0431 -16.1230 -16.1230 -16.1209 -16.1209 -7.9302 -7.9302 -7.6891 -7.6891 -6.6279 -6.6279 -6.5127 -6.5127 -4.7335 -4.7335 -4.6703 -4.6703 -4.5981 -4.5981 -4.5278 -4.5278 2.0797 2.0797 2.1287 2.1287 2.1690 2.1690 2.1895 2.1895 2.3684 2.3684 2.5023 2.5023 3.4832 3.4832 3.6401 3.6401 4.2008 4.2008 4.3688 4.3688 4.6816 4.6816 4.7971 4.7971 11.0537 11.0537 11.1538 11.1538 11.7277 11.7277 11.7830 11.7830 11.8590 11.8590 k = 0.0000 0.3429 0.3029 ( 6088 PWs) bands (ev): -20.1233 -20.1233 -20.0447 -20.0447 -16.1257 -16.1257 -16.1237 -16.1237 -7.9251 -7.9251 -7.7020 -7.7020 -6.6214 -6.6214 -6.5144 -6.5144 -4.7291 -4.7291 -4.6646 -4.6646 -4.6032 -4.6032 -4.5286 -4.5286 2.0881 2.0881 2.1342 2.1342 2.1778 2.1778 2.1935 2.1935 2.3579 2.3579 2.4849 2.4849 3.4844 3.4844 3.6333 3.6333 4.2003 4.2003 4.3565 4.3565 4.6701 4.6701 4.7889 4.7889 11.0481 11.0481 11.1528 11.1528 11.7618 11.7618 11.8284 11.8284 11.8909 11.8909 k = 0.0000 0.3571 0.3029 ( 6082 PWs) bands (ev): -20.1185 -20.1185 -20.0464 -20.0464 -16.1283 -16.1283 -16.1264 -16.1264 -7.9195 -7.9195 -7.7148 -7.7148 -6.6149 -6.6149 -6.5165 -6.5165 -4.7253 -4.7253 -4.6592 -4.6592 -4.6076 -4.6076 -4.5297 -4.5297 2.0958 2.0958 2.1391 2.1391 2.1860 2.1860 2.1986 2.1986 2.3475 2.3475 2.4670 2.4670 3.4875 3.4875 3.6272 3.6272 4.2005 4.2005 4.3442 4.3442 4.6604 4.6604 4.7796 4.7796 11.0426 11.0426 11.1479 11.1479 11.7961 11.7961 11.8731 11.8731 11.9195 11.9195 k = 0.0000 0.3714 0.3029 ( 6082 PWs) bands (ev): -20.1137 -20.1137 -20.0483 -20.0483 -16.1306 -16.1306 -16.1289 -16.1289 -7.9134 -7.9134 -7.7276 -7.7276 -6.6085 -6.6085 -6.5190 -6.5190 -4.7217 -4.7217 -4.6548 -4.6548 -4.6104 -4.6104 -4.5311 -4.5311 2.1028 2.1028 2.1434 2.1434 2.1930 2.1930 2.2053 2.2053 2.3374 2.3374 2.4488 2.4488 3.4923 3.4923 3.6214 3.6214 4.2012 4.2012 4.3320 4.3320 4.6525 4.6525 4.7694 4.7694 11.0375 11.0375 11.1401 11.1401 11.8313 11.8313 11.9137 11.9137 11.9460 11.9460 k = 0.0000 0.3857 0.3029 ( 6074 PWs) bands (ev): -20.1089 -20.1089 -20.0504 -20.0504 -16.1328 -16.1328 -16.1312 -16.1312 -7.9067 -7.9067 -7.7403 -7.7403 -6.6021 -6.6021 -6.5218 -6.5218 -4.7182 -4.7182 -4.6526 -4.6526 -4.6108 -4.6108 -4.5329 -4.5329 2.1094 2.1094 2.1470 2.1470 2.1989 2.1989 2.2135 2.2135 2.3277 2.3277 2.4306 2.4306 3.4984 3.4984 3.6159 3.6159 4.2026 4.2026 4.3200 4.3200 4.6464 4.6464 4.7583 4.7583 11.0333 11.0333 11.1305 11.1305 11.8674 11.8674 11.9458 11.9458 11.9738 11.9738 k = 0.0000 0.4000 0.3029 ( 6074 PWs) bands (ev): -20.1042 -20.1042 -20.0527 -20.0527 -16.1347 -16.1347 -16.1333 -16.1333 -7.8995 -7.8995 -7.7529 -7.7529 -6.5958 -6.5958 -6.5249 -6.5249 -4.7147 -4.7147 -4.6531 -4.6531 -4.6083 -4.6083 -4.5352 -4.5352 2.1155 2.1155 2.1498 2.1498 2.2043 2.2043 2.2223 2.2223 2.3185 2.3185 2.4127 2.4127 3.5055 3.5055 3.6105 3.6105 4.2046 4.2046 4.3083 4.3083 4.6424 4.6424 4.7467 4.7467 11.0302 11.0302 11.1196 11.1196 11.9037 11.9037 11.9682 11.9682 12.0041 12.0041 k = 0.0000 0.4143 0.3029 ( 6068 PWs) bands (ev): -20.0996 -20.0996 -20.0552 -20.0552 -16.1364 -16.1364 -16.1352 -16.1352 -7.8917 -7.8917 -7.7654 -7.7654 -6.5896 -6.5896 -6.5284 -6.5284 -4.7111 -4.7111 -4.6559 -4.6559 -4.6036 -4.6036 -4.5379 -4.5379 2.1213 2.1213 2.1518 2.1518 2.2097 2.2097 2.2312 2.2312 2.3099 2.3099 2.3953 2.3953 3.5135 3.5135 3.6051 3.6051 4.2073 4.2073 4.2970 4.2970 4.6403 4.6403 4.7346 4.7346 11.0283 11.0283 11.1080 11.1080 11.9391 11.9391 11.9849 11.9849 12.0342 12.0342 k = 0.0000 0.4286 0.3029 ( 6070 PWs) bands (ev): -20.0950 -20.0950 -20.0579 -20.0579 -16.1379 -16.1379 -16.1368 -16.1368 -7.8835 -7.8835 -7.7777 -7.7777 -6.5835 -6.5835 -6.5322 -6.5322 -4.7074 -4.7074 -4.6600 -4.6600 -4.5975 -4.5975 -4.5411 -4.5411 2.1267 2.1267 2.1531 2.1531 2.2152 2.2152 2.2395 2.2395 2.3023 2.3023 2.3786 2.3786 3.5220 3.5220 3.5995 3.5995 4.2107 4.2107 4.2860 4.2860 4.6403 4.6403 4.7223 4.7223 11.0277 11.0277 11.0964 11.0964 11.9708 11.9708 11.9989 11.9989 12.0642 12.0642 k = 0.0000 0.4429 0.3029 ( 6068 PWs) bands (ev): -20.0906 -20.0906 -20.0608 -20.0608 -16.1391 -16.1391 -16.1382 -16.1382 -7.8747 -7.8747 -7.7898 -7.7898 -6.5776 -6.5776 -6.5363 -6.5363 -4.7035 -4.7035 -4.6649 -4.6649 -4.5908 -4.5908 -4.5449 -4.5449 2.1317 2.1317 2.1535 2.1535 2.2209 2.2209 2.2467 2.2467 2.2965 2.2965 2.3627 2.3627 3.5308 3.5308 3.5936 3.5936 4.2150 4.2150 4.2755 4.2755 4.6421 4.6421 4.7101 4.7101 11.0286 11.0286 11.0849 11.0849 11.9954 11.9954 12.0115 12.0115 12.0969 12.0969 k = 0.0000 0.4571 0.3029 ( 6070 PWs) bands (ev): -20.0863 -20.0863 -20.0639 -20.0639 -16.1400 -16.1400 -16.1393 -16.1393 -7.8655 -7.8655 -7.8016 -7.8016 -6.5718 -6.5718 -6.5407 -6.5407 -4.6993 -4.6993 -4.6700 -4.6700 -4.5840 -4.5840 -4.5491 -4.5491 2.1364 2.1364 2.1532 2.1532 2.2268 2.2268 2.2514 2.2514 2.2936 2.2936 2.3478 2.3478 3.5397 3.5397 3.5872 3.5872 4.2199 4.2199 4.2656 4.2656 4.6458 4.6458 4.6982 4.6982 11.0310 11.0310 11.0740 11.0740 12.0111 12.0111 12.0227 12.0227 12.1346 12.1346 k = 0.0000 0.4714 0.3029 ( 6072 PWs) bands (ev): -20.0822 -20.0822 -20.0672 -20.0672 -16.1406 -16.1406 -16.1401 -16.1401 -7.8559 -7.8559 -7.8132 -7.8132 -6.5661 -6.5661 -6.5453 -6.5453 -4.6949 -4.6949 -4.6752 -4.6752 -4.5773 -4.5773 -4.5538 -4.5538 2.1406 2.1406 2.1521 2.1521 2.2329 2.2329 2.2522 2.2522 2.2952 2.2952 2.3341 2.3341 3.5485 3.5485 3.5804 3.5804 4.2257 4.2257 4.2562 4.2562 4.6512 4.6512 4.6868 4.6868 11.0348 11.0348 11.0638 11.0638 12.0211 12.0211 12.0302 12.0302 12.1773 12.1773 k = 0.0000 0.4857 0.3029 ( 6084 PWs) bands (ev): -20.0782 -20.0782 -20.0707 -20.0707 -16.1409 -16.1409 -16.1407 -16.1407 -7.8458 -7.8458 -7.8244 -7.8244 -6.5606 -6.5606 -6.5502 -6.5502 -4.6902 -4.6902 -4.6804 -4.6804 -4.5708 -4.5708 -4.5591 -4.5591 2.1444 2.1444 2.1502 2.1502 2.2389 2.2389 2.2495 2.2495 2.3013 2.3013 2.3215 2.3215 3.5571 3.5571 3.5731 3.5731 4.2322 4.2322 4.2475 4.2475 4.6582 4.6582 4.6762 4.6762 11.0401 11.0401 11.0547 11.0547 12.0279 12.0279 12.0331 12.0331 12.2235 12.2235 k = 0.0000 0.5000 0.3029 ( 6088 PWs) bands (ev): -20.0744 -20.0744 -20.0744 -20.0744 -16.1409 -16.1409 -16.1409 -16.1409 -7.8353 -7.8353 -7.8353 -7.8353 -6.5553 -6.5553 -6.5553 -6.5553 -4.6854 -4.6854 -4.6854 -4.6854 -4.5647 -4.5647 -4.5647 -4.5647 2.1476 2.1476 2.1476 2.1476 2.2446 2.2446 2.2446 2.2446 2.3105 2.3105 2.3105 2.3105 3.5653 3.5653 3.5653 3.5653 4.2395 4.2395 4.2395 4.2395 4.6666 4.6666 4.6666 4.6666 11.0467 11.0467 11.0467 11.0467 12.0321 12.0321 12.0321 12.0321 12.2717 12.2717 k = 0.0000 0.5000 0.3029 ( 6088 PWs) bands (ev): -20.0744 -20.0744 -20.0744 -20.0744 -16.1409 -16.1409 -16.1409 -16.1409 -7.8353 -7.8353 -7.8353 -7.8353 -6.5553 -6.5553 -6.5553 -6.5553 -4.6854 -4.6854 -4.6854 -4.6854 -4.5647 -4.5647 -4.5647 -4.5647 2.1476 2.1476 2.1476 2.1476 2.2446 2.2446 2.2446 2.2446 2.3105 2.3105 2.3105 2.3105 3.5653 3.5653 3.5653 3.5653 4.2395 4.2395 4.2395 4.2395 4.6666 4.6666 4.6666 4.6666 11.0467 11.0467 11.0467 11.0467 12.0321 12.0321 12.0321 12.0321 12.2717 12.2717 k = 0.0143 0.5000 0.3029 ( 6080 PWs) bands (ev): -20.0743 -20.0743 -20.0743 -20.0743 -16.1412 -16.1412 -16.1410 -16.1410 -7.8353 -7.8353 -7.8346 -7.8346 -6.5597 -6.5597 -6.5513 -6.5513 -4.6924 -4.6924 -4.6794 -4.6794 -4.5647 -4.5647 -4.5646 -4.5646 2.1454 2.1454 2.1494 2.1494 2.2271 2.2271 2.2498 2.2498 2.3036 2.3036 2.3311 2.3311 3.5658 3.5658 3.5660 3.5660 4.2311 4.2311 4.2477 4.2477 4.6624 4.6624 4.6694 4.6694 11.0462 11.0462 11.0500 11.0500 12.0249 12.0249 12.0401 12.0401 12.2642 12.2642 k = 0.0286 0.5000 0.3029 ( 6080 PWs) bands (ev): -20.0740 -20.0740 -20.0740 -20.0740 -16.1417 -16.1417 -16.1413 -16.1413 -7.8347 -7.8347 -7.8332 -7.8332 -6.5646 -6.5646 -6.5478 -6.5478 -4.7004 -4.7004 -4.6748 -4.6748 -4.5648 -4.5648 -4.5642 -4.5642 2.1419 2.1419 2.1508 2.1508 2.2081 2.2081 2.2362 2.2362 2.3168 2.3168 2.3554 2.3554 3.5674 3.5674 3.5678 3.5678 4.2224 4.2224 4.2559 4.2559 4.6569 4.6569 4.6708 4.6708 11.0485 11.0485 11.0560 11.0560 12.0187 12.0187 12.0489 12.0489 12.2590 12.2590 k = 0.0429 0.5000 0.3029 ( 6072 PWs) bands (ev): -20.0736 -20.0736 -20.0736 -20.0736 -16.1425 -16.1425 -16.1419 -16.1419 -7.8334 -7.8334 -7.8313 -7.8313 -6.5699 -6.5699 -6.5449 -6.5449 -4.7090 -4.7090 -4.6716 -4.6716 -4.5650 -4.5650 -4.5634 -4.5634 2.1351 2.1351 2.1508 2.1508 2.1924 2.1924 2.2174 2.2174 2.3377 2.3377 2.3805 2.3805 3.5700 3.5700 3.5709 3.5709 4.2135 4.2135 4.2640 4.2640 4.6498 4.6498 4.6710 4.6710 11.0534 11.0534 11.0647 11.0647 12.0138 12.0138 12.0580 12.0580 12.2565 12.2565 k = 0.0571 0.5000 0.3029 ( 6080 PWs) bands (ev): -20.0730 -20.0730 -20.0730 -20.0730 -16.1436 -16.1436 -16.1428 -16.1428 -7.8316 -7.8316 -7.8287 -7.8287 -6.5755 -6.5755 -6.5426 -6.5426 -4.7180 -4.7180 -4.6700 -4.6700 -4.5655 -4.5655 -4.5622 -4.5622 2.1228 2.1228 2.1464 2.1464 2.1833 2.1833 2.2021 2.2021 2.3603 2.3603 2.4055 2.4055 3.5735 3.5735 3.5750 3.5750 4.2044 4.2044 4.2722 4.2722 4.6413 4.6413 4.6701 4.6701 11.0611 11.0611 11.0759 11.0759 12.0100 12.0100 12.0670 12.0670 12.2570 12.2570 k = 0.0714 0.5000 0.3029 ( 6060 PWs) bands (ev): -20.0723 -20.0723 -20.0723 -20.0723 -16.1449 -16.1449 -16.1439 -16.1439 -7.8290 -7.8290 -7.8255 -7.8255 -6.5814 -6.5814 -6.5408 -6.5408 -4.7274 -4.7274 -4.6700 -4.6700 -4.5663 -4.5663 -4.5605 -4.5605 2.1055 2.1055 2.1343 2.1343 2.1807 2.1807 2.1953 2.1953 2.3831 2.3831 2.4300 2.4300 3.5776 3.5776 3.5802 3.5802 4.1950 4.1950 4.2806 4.2806 4.6314 4.6314 4.6681 4.6681 11.0713 11.0713 11.0897 11.0897 12.0076 12.0076 12.0755 12.0755 12.2609 12.2609 k = 0.0857 0.5000 0.3029 ( 6076 PWs) bands (ev): -20.0714 -20.0714 -20.0714 -20.0714 -16.1465 -16.1465 -16.1453 -16.1453 -7.8259 -7.8259 -7.8216 -7.8216 -6.5875 -6.5875 -6.5397 -6.5397 -4.7370 -4.7370 -4.6716 -4.6716 -4.5676 -4.5676 -4.5584 -4.5584 2.0856 2.0856 2.1160 2.1160 2.1824 2.1824 2.1962 2.1962 2.4053 2.4053 2.4537 2.4537 3.5821 3.5821 3.5861 3.5861 4.1855 4.1855 4.2893 4.2893 4.6201 4.6201 4.6652 4.6652 11.0841 11.0841 11.1059 11.1059 12.0064 12.0064 12.0832 12.0832 12.2684 12.2684 k = 0.1000 0.5000 0.3029 ( 6076 PWs) bands (ev): -20.0703 -20.0703 -20.0703 -20.0703 -16.1484 -16.1484 -16.1470 -16.1470 -7.8222 -7.8222 -7.8173 -7.8173 -6.5938 -6.5938 -6.5392 -6.5392 -4.7467 -4.7467 -4.6746 -4.6746 -4.5694 -4.5694 -4.5561 -4.5561 2.0651 2.0651 2.0951 2.0951 2.1866 2.1866 2.2014 2.2014 2.4269 2.4269 2.4764 2.4764 3.5867 3.5867 3.5926 3.5926 4.1761 4.1761 4.2986 4.2986 4.6075 4.6075 4.6617 4.6617 11.0993 11.0993 11.1243 11.1243 12.0065 12.0065 12.0899 12.0899 12.2798 12.2798 k = 0.1143 0.5000 0.3029 ( 6076 PWs) bands (ev): -20.0691 -20.0691 -20.0691 -20.0691 -16.1504 -16.1504 -16.1489 -16.1489 -7.8179 -7.8179 -7.8123 -7.8123 -6.6003 -6.6003 -6.5395 -6.5395 -4.7563 -4.7563 -4.6789 -4.6789 -4.5716 -4.5716 -4.5537 -4.5537 2.0448 2.0448 2.0736 2.0736 2.1928 2.1928 2.2090 2.2090 2.4474 2.4474 2.4980 2.4980 3.5913 3.5913 3.5993 3.5993 4.1668 4.1668 4.3085 4.3085 4.5938 4.5938 4.6575 4.6575 11.1167 11.1167 11.1448 11.1448 12.0080 12.0080 12.0957 12.0957 12.2947 12.2947 k = 0.1286 0.5000 0.3029 ( 6088 PWs) bands (ev): -20.0678 -20.0678 -20.0678 -20.0678 -16.1527 -16.1527 -16.1510 -16.1510 -7.8130 -7.8130 -7.8069 -7.8069 -6.6070 -6.6070 -6.5404 -6.5404 -4.7657 -4.7657 -4.6842 -4.6842 -4.5744 -4.5744 -4.5515 -4.5515 2.0252 2.0252 2.0526 2.0526 2.2003 2.2003 2.2183 2.2183 2.4669 2.4669 2.5182 2.5182 3.5955 3.5955 3.6059 3.6059 4.1580 4.1580 4.3191 4.3191 4.5790 4.5790 4.6530 4.6530 11.1362 11.1362 11.1672 11.1672 12.0108 12.0108 12.1009 12.1009 12.3129 12.3129 k = 0.1429 0.5000 0.3029 ( 6092 PWs) bands (ev): -20.0664 -20.0664 -20.0664 -20.0664 -16.1552 -16.1552 -16.1533 -16.1533 -7.8076 -7.8076 -7.8009 -7.8009 -6.6136 -6.6136 -6.5419 -6.5419 -4.7748 -4.7748 -4.6905 -4.6905 -4.5777 -4.5777 -4.5496 -4.5496 2.0066 2.0066 2.0324 2.0324 2.2092 2.2092 2.2288 2.2288 2.4853 2.4853 2.5372 2.5372 3.5990 3.5990 3.6121 3.6121 4.1497 4.1497 4.3304 4.3304 4.5634 4.5634 4.6482 4.6482 11.1576 11.1576 11.1912 11.1912 12.0152 12.0152 12.1058 12.1058 12.3338 12.3338 k = 0.1571 0.5000 0.3029 ( 6100 PWs) bands (ev): -20.0648 -20.0648 -20.0648 -20.0648 -16.1578 -16.1578 -16.1558 -16.1558 -7.8017 -7.8017 -7.7945 -7.7945 -6.6204 -6.6204 -6.5442 -6.5442 -4.7837 -4.7837 -4.6974 -4.6974 -4.5815 -4.5815 -4.5482 -4.5482 1.9893 1.9893 2.0134 2.0134 2.2192 2.2192 2.2404 2.2404 2.5025 2.5025 2.5547 2.5547 3.6016 3.6016 3.6172 3.6172 4.1424 4.1424 4.3426 4.3426 4.5471 4.5471 4.6433 4.6433 11.1806 11.1806 11.2166 11.2166 12.0212 12.0212 12.1111 12.1111 12.3569 12.3569 k = 0.1714 0.5000 0.3029 ( 6096 PWs) bands (ev): -20.0632 -20.0632 -20.0632 -20.0632 -16.1606 -16.1606 -16.1585 -16.1585 -7.7954 -7.7954 -7.7877 -7.7877 -6.6271 -6.6271 -6.5471 -6.5471 -4.7921 -4.7921 -4.7050 -4.7050 -4.5858 -4.5858 -4.5473 -4.5473 1.9732 1.9732 1.9956 1.9956 2.2301 2.2301 2.2529 2.2529 2.5184 2.5184 2.5708 2.5708 3.6030 3.6030 3.6210 3.6210 4.1362 4.1362 4.3554 4.3554 4.5304 4.5304 4.6386 4.6386 11.2049 11.2049 11.2431 11.2431 12.0289 12.0289 12.1171 12.1171 12.3814 12.3814 k = 0.1857 0.5000 0.3029 ( 6092 PWs) bands (ev): -20.0615 -20.0615 -20.0615 -20.0615 -16.1635 -16.1635 -16.1613 -16.1613 -7.7886 -7.7886 -7.7805 -7.7805 -6.6337 -6.6337 -6.5507 -6.5507 -4.8001 -4.8001 -4.7130 -4.7130 -4.5905 -4.5905 -4.5470 -4.5470 1.9586 1.9586 1.9792 1.9792 2.2421 2.2421 2.2662 2.2662 2.5331 2.5331 2.5856 2.5856 3.6030 3.6030 3.6230 3.6230 4.1314 4.1314 4.3687 4.3687 4.5138 4.5138 4.6341 4.6341 11.2304 11.2304 11.2705 11.2705 12.0386 12.0386 12.1243 12.1243 12.4067 12.4067 k = 0.2000 0.5000 0.3029 ( 6100 PWs) bands (ev): -20.0597 -20.0597 -20.0597 -20.0597 -16.1665 -16.1665 -16.1643 -16.1643 -7.7814 -7.7814 -7.7730 -7.7730 -6.6402 -6.6402 -6.5549 -6.5549 -4.8075 -4.8075 -4.7213 -4.7213 -4.5957 -4.5957 -4.5474 -4.5474 1.9454 1.9454 1.9642 1.9642 2.2549 2.2549 2.2803 2.2803 2.5466 2.5466 2.5989 2.5989 3.6016 3.6016 3.6228 3.6228 4.1282 4.1282 4.3819 4.3819 4.4979 4.4979 4.6301 4.6301 11.2566 11.2566 11.2983 11.2983 12.0504 12.0504 12.1329 12.1329 12.4320 12.4320 k = 0.2143 0.5000 0.3029 ( 6100 PWs) bands (ev): -20.0578 -20.0578 -20.0578 -20.0578 -16.1696 -16.1696 -16.1674 -16.1674 -7.7739 -7.7739 -7.7651 -7.7651 -6.6467 -6.6467 -6.5597 -6.5597 -4.8144 -4.8144 -4.7298 -4.7298 -4.6012 -4.6012 -4.5485 -4.5485 1.9337 1.9337 1.9507 1.9507 2.2684 2.2684 2.2950 2.2950 2.5590 2.5590 2.6109 2.6109 3.5985 3.5985 3.6202 3.6202 4.1268 4.1268 4.3940 4.3940 4.4839 4.4839 4.6267 4.6267 11.2835 11.2835 11.3264 11.3264 12.0644 12.0644 12.1432 12.1432 12.4567 12.4567 k = 0.2286 0.5000 0.3029 ( 6112 PWs) bands (ev): -20.0559 -20.0559 -20.0559 -20.0559 -16.1728 -16.1728 -16.1705 -16.1705 -7.7661 -7.7661 -7.7571 -7.7571 -6.6529 -6.6529 -6.5651 -6.5651 -4.8208 -4.8208 -4.7385 -4.7385 -4.6070 -4.6070 -4.5504 -4.5504 1.9234 1.9234 1.9386 1.9386 2.2827 2.2827 2.3102 2.3102 2.5701 2.5701 2.6215 2.6215 3.5936 3.5936 3.6150 3.6150 4.1271 4.1271 4.4024 4.4024 4.4743 4.4743 4.6239 4.6239 11.3107 11.3107 11.3544 11.3544 12.0805 12.0805 12.1550 12.1550 12.4804 12.4804 k = 0.2429 0.5000 0.3029 ( 6108 PWs) bands (ev): -20.0540 -20.0540 -20.0540 -20.0540 -16.1760 -16.1760 -16.1737 -16.1737 -7.7580 -7.7580 -7.7489 -7.7489 -6.6590 -6.6590 -6.5711 -6.5711 -4.8265 -4.8265 -4.7472 -4.7472 -4.6131 -4.6131 -4.5531 -4.5531 1.9146 1.9146 1.9281 1.9281 2.2976 2.2976 2.3259 2.3259 2.5802 2.5802 2.6309 2.6309 3.5871 3.5871 3.6072 3.6072 4.1290 4.1290 4.4034 4.4034 4.4728 4.4728 4.6219 4.6219 11.3381 11.3381 11.3823 11.3823 12.0986 12.0986 12.1684 12.1684 12.5029 12.5029 k = 0.2571 0.5000 0.3029 ( 6096 PWs) bands (ev): -20.0521 -20.0521 -20.0521 -20.0521 -16.1792 -16.1792 -16.1769 -16.1769 -7.7498 -7.7498 -7.7405 -7.7405 -6.6648 -6.6648 -6.5775 -6.5775 -4.8315 -4.8315 -4.7558 -4.7558 -4.6194 -4.6194 -4.5564 -4.5564 1.9072 1.9072 1.9189 1.9189 2.3130 2.3130 2.3420 2.3420 2.5892 2.5892 2.6391 2.6391 3.5788 3.5788 3.5969 3.5969 4.1325 4.1325 4.3963 4.3963 4.4803 4.4803 4.6207 4.6207 11.3656 11.3656 11.4098 11.4098 12.1184 12.1184 12.1827 12.1827 12.5242 12.5242 k = 0.2714 0.5000 0.3029 ( 6092 PWs) bands (ev): -20.0502 -20.0502 -20.0501 -20.0501 -16.1824 -16.1824 -16.1801 -16.1801 -7.7414 -7.7414 -7.7321 -7.7321 -6.6703 -6.6703 -6.5843 -6.5843 -4.8360 -4.8360 -4.7644 -4.7644 -4.6257 -4.6257 -4.5605 -4.5605 1.9011 1.9011 1.9112 1.9112 2.3288 2.3288 2.3584 2.3584 2.5971 2.5971 2.6461 2.6461 3.5690 3.5690 3.5844 3.5844 4.1372 4.1372 4.3846 4.3846 4.4931 4.4931 4.6205 4.6205 11.3932 11.3932 11.4369 11.4369 12.1392 12.1392 12.1972 12.1972 12.5450 12.5450 k = 0.2857 0.5000 0.3029 ( 6108 PWs) bands (ev): -20.0483 -20.0483 -20.0482 -20.0482 -16.1855 -16.1855 -16.1833 -16.1833 -7.7330 -7.7330 -7.7238 -7.7238 -6.6755 -6.6755 -6.5915 -6.5915 -4.8398 -4.8398 -4.7727 -4.7727 -4.6321 -4.6321 -4.5652 -4.5652 1.8963 1.8963 1.9048 1.9048 2.3450 2.3450 2.3749 2.3749 2.6041 2.6041 2.6521 2.6521 3.5577 3.5577 3.5701 3.5701 4.1428 4.1428 4.3711 4.3711 4.5083 4.5083 4.6210 4.6210 11.4208 11.4208 11.4636 11.4636 12.1601 12.1601 12.2109 12.2109 12.5659 12.5659 k = 0.3000 0.5000 0.3029 ( 6108 PWs) bands (ev): -20.0464 -20.0464 -20.0464 -20.0464 -16.1886 -16.1886 -16.1864 -16.1864 -7.7246 -7.7246 -7.7155 -7.7155 -6.6804 -6.6804 -6.5990 -6.5990 -4.8430 -4.8430 -4.7808 -4.7808 -4.6384 -4.6384 -4.5706 -4.5706 1.8926 1.8926 1.8996 1.8996 2.3614 2.3614 2.3914 2.3914 2.6102 2.6102 2.6570 2.6570 3.5451 3.5451 3.5542 3.5542 4.1492 4.1492 4.3572 4.3572 4.5243 4.5243 4.6224 4.6224 11.4485 11.4485 11.4900 11.4900 12.1799 12.1799 12.2226 12.2226 12.5881 12.5881 k = 0.3143 0.5000 0.3029 ( 6104 PWs) bands (ev): -20.0446 -20.0446 -20.0446 -20.0446 -16.1916 -16.1916 -16.1894 -16.1894 -7.7163 -7.7163 -7.7074 -7.7074 -6.6849 -6.6849 -6.6067 -6.6067 -4.8457 -4.8457 -4.7885 -4.7885 -4.6445 -4.6445 -4.5765 -4.5765 1.8901 1.8901 1.8957 1.8957 2.3779 2.3779 2.4079 2.4079 2.6154 2.6154 2.6609 2.6609 3.5314 3.5314 3.5373 3.5373 4.1559 4.1559 4.3437 4.3437 4.5404 4.5404 4.6246 4.6246 11.4764 11.4764 11.5163 11.5163 12.1972 12.1972 12.2312 12.2312 12.6126 12.6126 k = 0.3286 0.5000 0.3029 ( 6108 PWs) bands (ev): -20.0428 -20.0428 -20.0428 -20.0428 -16.1944 -16.1944 -16.1924 -16.1924 -7.7081 -7.7081 -7.6995 -7.6995 -6.6890 -6.6890 -6.6146 -6.6146 -4.8477 -4.8477 -4.7959 -4.7959 -4.6503 -4.6503 -4.5829 -4.5829 1.8884 1.8884 1.8927 1.8927 2.3944 2.3944 2.4242 2.4242 2.6199 2.6199 2.6638 2.6638 3.5168 3.5168 3.5196 3.5196 4.1628 4.1628 4.3308 4.3308 4.5561 4.5561 4.6275 4.6275 11.5047 11.5047 11.5425 11.5425 12.2105 12.2105 12.2355 12.2355 12.6403 12.6403 k = 0.3429 0.5000 0.3029 ( 6092 PWs) bands (ev): -20.0411 -20.0411 -20.0411 -20.0411 -16.1971 -16.1971 -16.1952 -16.1952 -7.7001 -7.7001 -7.6919 -7.6919 -6.6926 -6.6926 -6.6226 -6.6226 -4.8493 -4.8493 -4.8028 -4.8028 -4.6557 -4.6557 -4.5897 -4.5897 1.8875 1.8875 1.8908 1.8908 2.4107 2.4107 2.4402 2.4402 2.6235 2.6235 2.6659 2.6659 3.5017 3.5017 3.5017 3.5017 4.1698 4.1698 4.3187 4.3187 4.5712 4.5712 4.6309 4.6309 11.5334 11.5334 11.5690 11.5690 12.2185 12.2185 12.2350 12.2350 12.6716 12.6716 k = 0.3571 0.5000 0.3029 ( 6092 PWs) bands (ev): -20.0396 -20.0396 -20.0396 -20.0396 -16.1997 -16.1997 -16.1979 -16.1979 -7.6925 -7.6925 -7.6847 -7.6847 -6.6957 -6.6957 -6.6305 -6.6305 -4.8504 -4.8504 -4.8093 -4.8093 -4.6606 -4.6606 -4.5968 -4.5968 1.8874 1.8874 1.8896 1.8896 2.4268 2.4268 2.4557 2.4557 2.6265 2.6265 2.6671 2.6671 3.4839 3.4839 3.4862 3.4862 4.1766 4.1766 4.3074 4.3074 4.5854 4.5854 4.6347 4.6347 11.5628 11.5628 11.5957 11.5957 12.2203 12.2203 12.2293 12.2293 12.7015 12.7015 k = 0.3714 0.5000 0.3029 ( 6092 PWs) bands (ev): -20.0381 -20.0381 -20.0381 -20.0381 -16.2020 -16.2020 -16.2004 -16.2004 -7.6852 -7.6852 -7.6780 -7.6780 -6.6983 -6.6983 -6.6384 -6.6384 -4.8511 -4.8511 -4.8152 -4.8152 -4.6649 -4.6649 -4.6042 -4.6042 1.8877 1.8877 1.8891 1.8891 2.4424 2.4424 2.4705 2.4705 2.6288 2.6288 2.6674 2.6674 3.4665 3.4665 3.4708 3.4708 4.1832 4.1832 4.2970 4.2970 4.5986 4.5986 4.6387 4.6387 11.5927 11.5927 11.6229 11.6229 12.2159 12.2159 12.2188 12.2188 12.7338 12.7338 k = 0.3857 0.5000 0.3029 ( 6092 PWs) bands (ev): -20.0368 -20.0368 -20.0367 -20.0367 -16.2042 -16.2042 -16.2027 -16.2027 -7.6784 -7.6784 -7.6718 -7.6718 -6.7004 -6.7004 -6.6461 -6.6461 -4.8515 -4.8515 -4.8207 -4.8207 -4.6685 -4.6685 -4.6117 -4.6117 1.8885 1.8885 1.8892 1.8892 2.4575 2.4575 2.4846 2.4846 2.6306 2.6306 2.6670 2.6670 3.4501 3.4501 3.4557 3.4557 4.1896 4.1896 4.2874 4.2874 4.6106 4.6106 4.6428 4.6428 11.6233 11.6233 11.6505 11.6505 12.2040 12.2040 12.2055 12.2055 12.7694 12.7694 k = 0.4000 0.5000 0.3029 ( 6096 PWs) bands (ev): -20.0355 -20.0355 -20.0355 -20.0355 -16.2061 -16.2061 -16.2048 -16.2048 -7.6722 -7.6722 -7.6662 -7.6662 -6.7019 -6.7019 -6.6536 -6.6536 -4.8515 -4.8515 -4.8256 -4.8256 -4.6713 -4.6713 -4.6192 -4.6192 1.8895 1.8895 1.8897 1.8897 2.4719 2.4719 2.4976 2.4976 2.6320 2.6320 2.6659 2.6659 3.4348 3.4348 3.4412 3.4412 4.1957 4.1957 4.2786 4.2786 4.6213 4.6213 4.6468 4.6468 11.6544 11.6544 11.6785 11.6785 12.1854 12.1854 12.1900 12.1900 12.8072 12.8072 k = 0.4143 0.5000 0.3029 ( 6092 PWs) bands (ev): -20.0345 -20.0345 -20.0344 -20.0344 -16.2078 -16.2078 -16.2066 -16.2066 -7.6665 -7.6665 -7.6612 -7.6612 -6.7027 -6.7027 -6.6608 -6.6608 -4.8513 -4.8513 -4.8299 -4.8299 -4.6732 -4.6732 -4.6267 -4.6267 1.8905 1.8905 1.8907 1.8907 2.4855 2.4855 2.5094 2.5094 2.6331 2.6331 2.6641 2.6641 3.4210 3.4210 3.4277 3.4277 4.2015 4.2015 4.2706 4.2706 4.6308 4.6308 4.6506 4.6506 11.6858 11.6858 11.7067 11.7067 12.1640 12.1640 12.1702 12.1702 12.8455 12.8455 k = 0.4286 0.5000 0.3029 ( 6096 PWs) bands (ev): -20.0335 -20.0335 -20.0335 -20.0335 -16.2093 -16.2093 -16.2083 -16.2083 -7.6615 -7.6615 -7.6570 -7.6570 -6.7029 -6.7029 -6.6676 -6.6676 -4.8509 -4.8509 -4.8338 -4.8338 -4.6742 -4.6742 -4.6341 -4.6341 1.8915 1.8915 1.8919 1.8919 2.4980 2.4980 2.5196 2.5196 2.6341 2.6341 2.6617 2.6617 3.4090 3.4090 3.4155 3.4155 4.2071 4.2071 4.2632 4.2632 4.6389 4.6389 4.6540 4.6540 11.7171 11.7171 11.7347 11.7347 12.1406 12.1406 12.1474 12.1474 12.8826 12.8826 k = 0.4429 0.5000 0.3029 ( 6108 PWs) bands (ev): -20.0328 -20.0328 -20.0327 -20.0327 -16.2105 -16.2105 -16.2096 -16.2096 -7.6572 -7.6572 -7.6536 -7.6536 -6.7024 -6.7024 -6.6739 -6.6739 -4.8503 -4.8503 -4.8371 -4.8371 -4.6741 -4.6741 -4.6411 -4.6411 1.8925 1.8925 1.8929 1.8929 2.5092 2.5092 2.5280 2.5280 2.6352 2.6352 2.6587 2.6587 3.3991 3.3991 3.4048 3.4048 4.2125 4.2125 4.2564 4.2564 4.6457 4.6457 4.6568 4.6568 11.7477 11.7477 11.7618 11.7618 12.1165 12.1165 12.1229 12.1229 12.9167 12.9167 k = 0.4571 0.5000 0.3029 ( 6104 PWs) bands (ev): -20.0321 -20.0321 -20.0321 -20.0321 -16.2114 -16.2114 -16.2107 -16.2107 -7.6537 -7.6537 -7.6510 -7.6510 -6.7012 -6.7012 -6.6797 -6.6797 -4.8496 -4.8496 -4.8399 -4.8399 -4.6731 -4.6731 -4.6477 -4.6477 1.8934 1.8934 1.8939 1.8939 2.5190 2.5190 2.5341 2.5341 2.6366 2.6366 2.6553 2.6553 3.3913 3.3913 3.3960 3.3960 4.2178 4.2178 4.2501 4.2501 4.6512 4.6512 4.6589 4.6589 11.7762 11.7762 11.7869 11.7869 12.0933 12.0933 12.0986 12.0986 12.9460 12.9460 k = 0.4714 0.5000 0.3029 ( 6104 PWs) bands (ev): -20.0317 -20.0317 -20.0317 -20.0317 -16.2120 -16.2120 -16.2116 -16.2116 -7.6511 -7.6511 -7.6492 -7.6492 -6.6993 -6.6993 -6.6849 -6.6849 -4.8486 -4.8486 -4.8424 -4.8424 -4.6710 -4.6710 -4.6538 -4.6538 1.8942 1.8942 1.8945 1.8945 2.5272 2.5272 2.5378 2.5378 2.6386 2.6386 2.6516 2.6516 3.3860 3.3860 3.3892 3.3892 4.2230 4.2230 4.2442 4.2442 4.6554 4.6554 4.6603 4.6603 11.8009 11.8009 11.8081 11.8081 12.0730 12.0730 12.0768 12.0768 12.9688 12.9688 k = 0.4857 0.5000 0.3029 ( 6108 PWs) bands (ev): -20.0314 -20.0314 -20.0314 -20.0314 -16.2123 -16.2123 -16.2121 -16.2121 -7.6493 -7.6493 -7.6483 -7.6483 -6.6968 -6.6968 -6.6895 -6.6895 -4.8475 -4.8475 -4.8444 -4.8444 -4.6680 -4.6680 -4.6593 -4.6593 1.8947 1.8947 1.8949 1.8949 2.5334 2.5334 2.5389 2.5389 2.6411 2.6411 2.6479 2.6479 3.3831 3.3831 3.3847 3.3847 4.2281 4.2281 4.2387 4.2387 4.6583 4.6583 4.6607 4.6607 11.8187 11.8187 11.8224 11.8224 12.0589 12.0589 12.0608 12.0608 12.9837 12.9837 k = 0.5000 0.5000 0.3029 ( 6088 PWs) bands (ev): -20.0314 -20.0314 -20.0314 -20.0314 -16.2124 -16.2124 -16.2124 -16.2124 -7.6484 -7.6484 -7.6484 -7.6484 -6.6935 -6.6935 -6.6935 -6.6935 -4.8461 -4.8461 -4.8461 -4.8461 -4.6640 -4.6640 -4.6640 -4.6640 1.8950 1.8950 1.8950 1.8950 2.5374 2.5374 2.5374 2.5374 2.6443 2.6443 2.6443 2.6443 3.3827 3.3827 3.3827 3.3827 4.2333 4.2333 4.2333 4.2333 4.6600 4.6600 4.6600 4.6600 11.8265 11.8265 11.8265 11.8265 12.0543 12.0543 12.0543 12.0543 12.9900 12.9900 k = 0.5000 0.5000 0.3029 ( 6088 PWs) bands (ev): -20.0314 -20.0314 -20.0314 -20.0314 -16.2124 -16.2124 -16.2124 -16.2124 -7.6484 -7.6484 -7.6484 -7.6484 -6.6935 -6.6935 -6.6935 -6.6935 -4.8461 -4.8461 -4.8461 -4.8461 -4.6640 -4.6640 -4.6640 -4.6640 1.8950 1.8950 1.8950 1.8950 2.5374 2.5374 2.5374 2.5374 2.6443 2.6443 2.6443 2.6443 3.3827 3.3827 3.3827 3.3827 4.2333 4.2333 4.2333 4.2333 4.6600 4.6600 4.6600 4.6600 11.8265 11.8265 11.8265 11.8265 12.0543 12.0543 12.0543 12.0543 12.9900 12.9900 k = 0.4900 0.4900 0.3029 ( 6102 PWs) bands (ev): -20.0315 -20.0315 -20.0314 -20.0314 -16.2123 -16.2123 -16.2121 -16.2121 -7.6494 -7.6494 -7.6482 -7.6482 -6.6967 -6.6967 -6.6896 -6.6896 -4.8474 -4.8474 -4.8444 -4.8444 -4.6680 -4.6680 -4.6593 -4.6593 1.8941 1.8941 1.8955 1.8955 2.5334 2.5334 2.5390 2.5390 2.6410 2.6410 2.6480 2.6480 3.3829 3.3829 3.3848 3.3848 4.2281 4.2281 4.2386 4.2386 4.6581 4.6581 4.6609 4.6609 11.8140 11.8140 11.8278 11.8278 12.0517 12.0517 12.0674 12.0674 12.9823 12.9823 k = 0.4800 0.4800 0.3029 ( 6102 PWs) bands (ev): -20.0320 -20.0320 -20.0314 -20.0314 -16.2120 -16.2120 -16.2116 -16.2116 -7.6518 -7.6518 -7.6484 -7.6484 -6.6993 -6.6993 -6.6850 -6.6850 -4.8485 -4.8485 -4.8424 -4.8424 -4.6712 -4.6712 -4.6537 -4.6537 1.8916 1.8916 1.8972 1.8972 2.5268 2.5268 2.5385 2.5385 2.6376 2.6376 2.6524 2.6524 3.3851 3.3851 3.3899 3.3899 4.2229 4.2229 4.2442 4.2442 4.6539 4.6539 4.6618 4.6618 11.7838 11.7838 11.8311 11.8311 12.0441 12.0441 12.0999 12.0999 12.9618 12.9618 k = 0.4700 0.4700 0.3029 ( 6094 PWs) bands (ev): -20.0329 -20.0329 -20.0314 -20.0314 -16.2114 -16.2114 -16.2108 -16.2108 -7.6557 -7.6557 -7.6488 -7.6488 -6.7011 -6.7011 -6.6800 -6.6800 -4.8493 -4.8493 -4.8402 -4.8402 -4.6738 -4.6738 -4.6472 -4.6472 1.8875 1.8875 1.9000 1.9000 2.5180 2.5180 2.5364 2.5364 2.6335 2.6335 2.6575 2.6575 3.3890 3.3890 3.3979 3.3979 4.2176 4.2176 4.2503 4.2503 4.6473 4.6473 4.6631 4.6631 11.7453 11.7453 11.8365 11.8365 12.0316 12.0316 12.1420 12.1420 12.9309 12.9309 k = 0.4600 0.4600 0.3029 ( 6088 PWs) bands (ev): -20.0341 -20.0341 -20.0314 -20.0314 -16.2105 -16.2105 -16.2097 -16.2097 -7.6611 -7.6611 -7.6494 -7.6494 -6.7021 -6.7021 -6.6745 -6.6745 -4.8498 -4.8498 -4.8376 -4.8376 -4.6758 -4.6758 -4.6399 -4.6399 1.8821 1.8821 1.9038 1.9038 2.5071 2.5071 2.5327 2.5327 2.6283 2.6283 2.6631 2.6631 3.3945 3.3945 3.4087 3.4087 4.2119 4.2119 4.2569 4.2569 4.6382 4.6382 4.6649 4.6649 11.7045 11.7045 11.8441 11.8441 12.0140 12.0140 12.1873 12.1873 12.8933 12.8933 k = 0.4500 0.4500 0.3029 ( 6092 PWs) bands (ev): -20.0356 -20.0356 -20.0314 -20.0314 -16.2093 -16.2093 -16.2083 -16.2083 -7.6678 -7.6678 -7.6500 -7.6500 -6.7024 -6.7024 -6.6685 -6.6685 -4.8498 -4.8498 -4.8346 -4.8346 -4.6775 -4.6775 -4.6317 -4.6317 1.8755 1.8755 1.9088 1.9088 2.4947 2.4947 2.5278 2.5278 2.6220 2.6220 2.6690 2.6690 3.4014 3.4014 3.4221 3.4221 4.2059 4.2059 4.2642 4.2642 4.6269 4.6269 4.6672 4.6672 11.6643 11.6643 11.8538 11.8538 11.9917 11.9917 12.2325 12.2325 12.8525 12.8525 k = 0.4400 0.4400 0.3029 ( 6096 PWs) bands (ev): -20.0374 -20.0374 -20.0314 -20.0314 -16.2079 -16.2079 -16.2067 -16.2067 -7.6758 -7.6758 -7.6508 -7.6508 -6.7020 -6.7020 -6.6623 -6.6623 -4.8495 -4.8495 -4.8312 -4.8312 -4.6789 -4.6789 -4.6227 -4.6227 1.8682 1.8682 1.9149 1.9149 2.4809 2.4809 2.5217 2.5217 2.6143 2.6143 2.6748 2.6748 3.4098 3.4098 3.4378 3.4378 4.1994 4.1994 4.2722 4.2722 4.6135 4.6135 4.6699 4.6699 11.6261 11.6261 11.8657 11.8657 11.9650 11.9650 12.2754 12.2754 12.8113 12.8113 k = 0.4300 0.4300 0.3029 ( 6096 PWs) bands (ev): -20.0396 -20.0396 -20.0315 -20.0315 -16.2062 -16.2062 -16.2048 -16.2048 -7.6849 -7.6849 -7.6517 -7.6517 -6.7009 -6.7009 -6.6559 -6.6559 -4.8486 -4.8486 -4.8275 -4.8275 -4.6800 -4.6800 -4.6131 -4.6131 1.8604 1.8604 1.9221 1.9221 2.4662 2.4662 2.5145 2.5145 2.6053 2.6053 2.6802 2.6802 3.4194 3.4194 3.4552 3.4552 4.1923 4.1923 4.2811 4.2811 4.5983 4.5983 4.6732 4.6732 11.5910 11.5910 11.8795 11.8795 11.9346 11.9346 12.3146 12.3146 12.7717 12.7717 k = 0.4200 0.4200 0.3029 ( 6102 PWs) bands (ev): -20.0420 -20.0420 -20.0315 -20.0315 -16.2042 -16.2042 -16.2026 -16.2026 -7.6951 -7.6951 -7.6526 -7.6526 -6.6992 -6.6992 -6.6493 -6.6493 -4.8472 -4.8472 -4.8234 -4.8234 -4.6809 -4.6809 -4.6030 -4.6030 1.8524 1.8524 1.9303 1.9303 2.4508 2.4508 2.5062 2.5062 2.5950 2.5950 2.6853 2.6853 3.4303 3.4303 3.4740 3.4740 4.1846 4.1846 4.2908 4.2908 4.5816 4.5816 4.6770 4.6770 11.5595 11.5595 11.8926 11.8926 11.9037 11.9037 12.3488 12.3488 12.7348 12.7348 k = 0.4100 0.4100 0.3029 ( 6110 PWs) bands (ev): -20.0448 -20.0448 -20.0315 -20.0315 -16.2020 -16.2020 -16.2002 -16.2002 -7.7061 -7.7061 -7.6535 -7.6535 -6.6968 -6.6968 -6.6427 -6.6427 -4.8453 -4.8453 -4.8189 -4.8189 -4.6818 -4.6818 -4.5926 -4.5926 1.8447 1.8447 1.9397 1.9397 2.4347 2.4347 2.4971 2.4971 2.5832 2.5832 2.6898 2.6898 3.4424 3.4424 3.4937 3.4937 4.1762 4.1762 4.3012 4.3012 4.5640 4.5640 4.6813 4.6813 11.5318 11.5318 11.8634 11.8634 11.9149 11.9149 12.3772 12.3772 12.7012 12.7012 k = 0.4000 0.4000 0.3029 ( 6110 PWs) bands (ev): -20.0478 -20.0478 -20.0316 -20.0316 -16.1996 -16.1996 -16.1976 -16.1976 -7.7179 -7.7179 -7.6543 -7.6543 -6.6939 -6.6939 -6.6361 -6.6361 -4.8428 -4.8428 -4.8140 -4.8140 -4.6825 -4.6825 -4.5819 -4.5819 1.8374 1.8374 1.9501 1.9501 2.4183 2.4183 2.4870 2.4870 2.5701 2.5701 2.6938 2.6938 3.4554 3.4554 3.5139 3.5139 4.1671 4.1671 4.3124 4.3124 4.5459 4.5459 4.6860 4.6860 11.5084 11.5084 11.8261 11.8261 11.9348 11.9348 12.3992 12.3992 12.6709 12.6709 k = 0.3900 0.3900 0.3029 ( 6110 PWs) bands (ev): -20.0511 -20.0511 -20.0316 -20.0316 -16.1969 -16.1969 -16.1947 -16.1947 -7.7302 -7.7302 -7.6551 -7.6551 -6.6906 -6.6906 -6.6296 -6.6296 -4.8397 -4.8397 -4.8088 -4.8088 -4.6833 -4.6833 -4.5711 -4.5711 1.8310 1.8310 1.9617 1.9617 2.4015 2.4015 2.4761 2.4761 2.5558 2.5558 2.6971 2.6971 3.4692 3.4692 3.5341 3.5341 4.1572 4.1572 4.3241 4.3241 4.5279 4.5279 4.6913 4.6913 11.4892 11.4892 11.7882 11.7882 11.9569 11.9569 12.4143 12.4143 12.6438 12.6438 k = 0.3800 0.3800 0.3029 ( 6112 PWs) bands (ev): -20.0547 -20.0547 -20.0317 -20.0317 -16.1940 -16.1940 -16.1916 -16.1916 -7.7430 -7.7430 -7.6558 -7.6558 -6.6869 -6.6869 -6.6233 -6.6233 -4.8360 -4.8360 -4.8033 -4.8033 -4.6840 -4.6840 -4.5604 -4.5604 1.8256 1.8256 1.9743 1.9743 2.3845 2.3845 2.4645 2.4645 2.5402 2.5402 2.6998 2.6998 3.4837 3.4837 3.5540 3.5540 4.1462 4.1462 4.3362 4.3362 4.5108 4.5108 4.6971 4.6971 11.4742 11.4742 11.7509 11.7509 11.9810 11.9810 12.4223 12.4223 12.6194 12.6194 k = 0.3700 0.3700 0.3029 ( 6104 PWs) bands (ev): -20.0585 -20.0585 -20.0317 -20.0317 -16.1909 -16.1909 -16.1883 -16.1883 -7.7560 -7.7560 -7.6564 -7.6564 -6.6829 -6.6829 -6.6171 -6.6171 -4.8317 -4.8317 -4.7975 -4.7975 -4.6848 -4.6848 -4.5499 -4.5499 1.8215 1.8215 1.9879 1.9879 2.3674 2.3674 2.4521 2.4521 2.5235 2.5235 2.7018 2.7018 3.4987 3.4987 3.5732 3.5732 4.1342 4.1342 4.3484 4.3484 4.4954 4.4954 4.7033 4.7033 11.4634 11.4634 11.7150 11.7150 12.0070 12.0070 12.4234 12.4234 12.5974 12.5974 k = 0.3600 0.3600 0.3029 ( 6102 PWs) bands (ev): -20.0625 -20.0625 -20.0318 -20.0318 -16.1875 -16.1875 -16.1848 -16.1848 -7.7693 -7.7693 -7.6567 -7.6567 -6.6787 -6.6787 -6.6110 -6.6110 -4.8270 -4.8270 -4.7914 -4.7914 -4.6856 -4.6856 -4.5398 -4.5398 1.8190 1.8190 2.0026 2.0026 2.3503 2.3503 2.4391 2.4391 2.5058 2.5058 2.7032 2.7032 3.5139 3.5139 3.5916 3.5916 4.1210 4.1210 4.3600 4.3600 4.4829 4.4829 4.7101 4.7101 11.4566 11.4566 11.6812 11.6812 12.0347 12.0347 12.4176 12.4176 12.5774 12.5774 k = 0.3500 0.3500 0.3029 ( 6096 PWs) bands (ev): -20.0667 -20.0667 -20.0319 -20.0319 -16.1840 -16.1840 -16.1812 -16.1812 -7.7826 -7.7826 -7.6569 -7.6569 -6.6745 -6.6745 -6.6052 -6.6052 -4.8218 -4.8218 -4.7850 -4.7850 -4.6865 -4.6865 -4.5300 -4.5300 1.8181 1.8181 2.0183 2.0183 2.3332 2.3332 2.4254 2.4254 2.4873 2.4873 2.7039 2.7039 3.5290 3.5290 3.6091 3.6091 4.1063 4.1063 4.3702 4.3702 4.4744 4.4744 4.7174 4.7174 11.4536 11.4536 11.6501 11.6501 12.0641 12.0641 12.4054 12.4054 12.5590 12.5590 k = 0.3400 0.3400 0.3029 ( 6102 PWs) bands (ev): -20.0711 -20.0711 -20.0319 -20.0319 -16.1804 -16.1804 -16.1774 -16.1774 -7.7958 -7.7958 -7.6567 -7.6567 -6.6703 -6.6703 -6.5996 -6.5996 -4.8162 -4.8162 -4.7785 -4.7785 -4.6875 -4.6875 -4.5208 -4.5208 1.8189 1.8189 2.0349 2.0349 2.3163 2.3163 2.4110 2.4110 2.4681 2.4681 2.7040 2.7040 3.5436 3.5436 3.6256 3.6256 4.0902 4.0902 4.3781 4.3781 4.4715 4.4715 4.7252 4.7252 11.4539 11.4539 11.6222 11.6222 12.0951 12.0951 12.3874 12.3874 12.5420 12.5420 k = 0.3300 0.3300 0.3029 ( 6098 PWs) bands (ev): -20.0757 -20.0757 -20.0320 -20.0320 -16.1765 -16.1765 -16.1734 -16.1734 -7.8088 -7.8088 -7.6563 -7.6563 -6.6663 -6.6663 -6.5941 -6.5941 -4.8103 -4.8103 -4.7718 -4.7718 -4.6885 -4.6885 -4.5123 -4.5123 1.8216 1.8216 2.0525 2.0525 2.2996 2.2996 2.3959 2.3959 2.4484 2.4484 2.7035 2.7035 3.5573 3.5573 3.6415 3.6415 4.0728 4.0728 4.3832 4.3832 4.4745 4.4745 4.7335 4.7335 11.4570 11.4570 11.5980 11.5980 12.1274 12.1274 12.3643 12.3643 12.5257 12.5257 k = 0.3200 0.3200 0.3029 ( 6102 PWs) bands (ev): -20.0805 -20.0805 -20.0321 -20.0321 -16.1726 -16.1726 -16.1694 -16.1694 -7.8216 -7.8216 -7.6555 -7.6555 -6.6625 -6.6625 -6.5887 -6.5887 -4.8041 -4.8041 -4.7651 -4.7651 -4.6895 -4.6895 -4.5044 -4.5044 1.8262 1.8262 2.0709 2.0709 2.2831 2.2831 2.3800 2.3800 2.4285 2.4285 2.7023 2.7023 3.5696 3.5696 3.6571 3.6571 4.0542 4.0542 4.3862 4.3862 4.4831 4.4831 4.7422 4.7422 11.4622 11.4622 11.5779 11.5779 12.1608 12.1608 12.3374 12.3374 12.5093 12.5093 k = 0.3100 0.3100 0.3029 ( 6110 PWs) bands (ev): -20.0854 -20.0854 -20.0322 -20.0322 -16.1685 -16.1685 -16.1652 -16.1652 -7.8340 -7.8340 -7.6543 -7.6543 -6.6591 -6.6591 -6.5835 -6.5835 -4.7978 -4.7978 -4.7584 -4.7584 -4.6903 -4.6903 -4.4973 -4.4973 1.8326 1.8326 2.0901 2.0901 2.2669 2.2669 2.3630 2.3630 2.4089 2.4089 2.7005 2.7005 3.5801 3.5801 3.6725 3.6725 4.0348 4.0348 4.3884 4.3884 4.4956 4.4956 4.7514 4.7514 11.4684 11.4684 11.5622 11.5622 12.1950 12.1950 12.3078 12.3078 12.4913 12.4913 k = 0.3000 0.3000 0.3029 ( 6112 PWs) bands (ev): -20.0903 -20.0903 -20.0323 -20.0323 -16.1643 -16.1643 -16.1609 -16.1609 -7.8459 -7.8459 -7.6527 -7.6527 -6.6562 -6.6562 -6.5784 -6.5784 -4.7913 -4.7913 -4.7521 -4.7521 -4.6909 -4.6909 -4.4911 -4.4911 1.8408 1.8408 2.1101 2.1101 2.2511 2.2511 2.3449 2.3449 2.3899 2.3899 2.6982 2.6982 3.5886 3.5886 3.6881 3.6881 4.0152 4.0152 4.3909 4.3909 4.5106 4.5106 4.7610 4.7610 11.4743 11.4743 11.5515 11.5515 12.2287 12.2287 12.2767 12.2767 12.4525 12.4525 k = 0.2900 0.2900 0.3029 ( 6092 PWs) bands (ev): -20.0954 -20.0954 -20.0324 -20.0324 -16.1600 -16.1600 -16.1565 -16.1565 -7.8574 -7.8574 -7.6507 -7.6507 -6.6539 -6.6539 -6.5733 -6.5733 -4.7848 -4.7848 -4.7465 -4.7465 -4.6908 -4.6908 -4.4857 -4.4857 1.8507 1.8507 2.1306 2.1306 2.2357 2.2357 2.3254 2.3254 2.3719 2.3719 2.6953 2.6953 3.5949 3.5949 3.7038 3.7038 3.9961 3.9961 4.3943 4.3943 4.5272 4.5272 4.7709 4.7709 11.4784 11.4784 11.5462 11.5462 12.2414 12.2414 12.2627 12.2627 12.3613 12.3613 k = 0.2800 0.2800 0.3029 ( 6084 PWs) bands (ev): -20.1006 -20.1006 -20.0325 -20.0325 -16.1556 -16.1556 -16.1521 -16.1521 -7.8683 -7.8683 -7.6483 -7.6483 -6.6522 -6.6522 -6.5682 -6.5682 -4.7782 -4.7782 -4.7420 -4.7420 -4.6897 -4.6897 -4.4812 -4.4812 1.8622 1.8622 2.1515 2.1515 2.2207 2.2207 2.3048 2.3048 2.3550 2.3550 2.6920 2.6920 3.5993 3.5993 3.7192 3.7192 3.9782 3.9782 4.3987 4.3987 4.5446 4.5446 4.7811 4.7811 11.4800 11.4800 11.5458 11.5458 12.2075 12.2075 12.2469 12.2469 12.2779 12.2779 k = 0.2700 0.2700 0.3029 ( 6096 PWs) bands (ev): -20.1058 -20.1058 -20.0326 -20.0326 -16.1512 -16.1512 -16.1477 -16.1477 -7.8786 -7.8786 -7.6453 -7.6453 -6.6512 -6.6512 -6.5632 -6.5632 -4.7718 -4.7718 -4.7391 -4.7391 -4.6871 -4.6871 -4.4776 -4.4776 1.8751 1.8751 2.1724 2.1724 2.2063 2.2063 2.2833 2.2833 2.3392 2.3392 2.6881 2.6881 3.6021 3.6021 3.7338 3.7338 3.9626 3.9626 4.4041 4.4041 4.5626 4.5626 4.7914 4.7914 11.4797 11.4797 11.5483 11.5483 12.1425 12.1425 12.1591 12.1591 12.2091 12.2091 k = 0.2600 0.2600 0.3029 ( 6100 PWs) bands (ev): -20.1110 -20.1110 -20.0327 -20.0327 -16.1467 -16.1467 -16.1432 -16.1432 -7.8882 -7.8882 -7.6419 -7.6419 -6.6509 -6.6509 -6.5583 -6.5583 -4.7655 -4.7655 -4.7382 -4.7382 -4.6827 -4.6827 -4.4749 -4.4749 1.8892 1.8892 2.1886 2.1886 2.1962 2.1962 2.2620 2.2620 2.3246 2.3246 2.6837 2.6837 3.6035 3.6035 3.7468 3.7468 3.9503 3.9503 4.4103 4.4103 4.5809 4.5809 4.8018 4.8018 11.4785 11.4785 11.5509 11.5509 12.0374 12.0374 12.0731 12.0731 12.1719 12.1719 k = 0.2500 0.2500 0.3029 ( 6098 PWs) bands (ev): -20.1162 -20.1162 -20.0329 -20.0329 -16.1422 -16.1422 -16.1387 -16.1387 -7.8972 -7.8972 -7.6380 -7.6380 -6.6512 -6.6512 -6.5535 -6.5535 -4.7595 -4.7595 -4.7389 -4.7389 -4.6767 -4.6767 -4.4731 -4.4731 1.9043 1.9043 2.1776 2.1776 2.2091 2.2091 2.2446 2.2446 2.3113 2.3113 2.6789 2.6789 3.6042 3.6042 3.7571 3.7571 3.9427 3.9427 4.4172 4.4172 4.5991 4.5991 4.8122 4.8122 11.4772 11.4772 11.5516 11.5516 11.9312 11.9312 11.9799 11.9799 12.1450 12.1450 k = 0.2400 0.2400 0.3029 ( 6098 PWs) bands (ev): -20.1215 -20.1215 -20.0330 -20.0330 -16.1377 -16.1377 -16.1343 -16.1343 -7.9054 -7.9054 -7.6337 -7.6337 -6.6523 -6.6523 -6.5489 -6.5489 -4.7541 -4.7541 -4.7407 -4.7407 -4.6695 -4.6695 -4.4721 -4.4721 1.9200 1.9200 2.1644 2.1644 2.2040 2.2040 2.2460 2.2460 2.3005 2.3005 2.6737 2.6737 3.6043 3.6043 3.7642 3.7642 3.9407 3.9407 4.4244 4.4244 4.6172 4.6172 4.8223 4.8223 11.4760 11.4760 11.5492 11.5492 11.8265 11.8265 11.8858 11.8858 12.1208 12.1208 k = 0.2300 0.2300 0.3029 ( 6090 PWs) bands (ev): -20.1267 -20.1267 -20.0331 -20.0331 -16.1332 -16.1332 -16.1298 -16.1298 -7.9130 -7.9130 -7.6289 -7.6289 -6.6539 -6.6539 -6.5445 -6.5445 -4.7512 -4.7512 -4.7414 -4.7414 -4.6614 -4.6614 -4.4719 -4.4719 1.9362 1.9362 2.1513 2.1513 2.1847 2.1847 2.2564 2.2564 2.2961 2.2961 2.6682 2.6682 3.6042 3.6042 3.7678 3.7678 3.9446 3.9446 4.4320 4.4320 4.6350 4.6350 4.8321 4.8321 11.4745 11.4745 11.5430 11.5430 11.7239 11.7239 11.7924 11.7924 12.0965 12.0965 k = 0.2200 0.2200 0.3029 ( 6076 PWs) bands (ev): -20.1318 -20.1318 -20.0332 -20.0332 -16.1287 -16.1287 -16.1254 -16.1254 -7.9198 -7.9198 -7.6236 -7.6236 -6.6562 -6.6562 -6.5403 -6.5403 -4.7533 -4.7533 -4.7381 -4.7381 -4.6528 -4.6528 -4.4723 -4.4723 1.9525 1.9525 2.1378 2.1378 2.1638 2.1638 2.2564 2.2564 2.3050 2.3050 2.6624 2.6624 3.6042 3.6042 3.7689 3.7689 3.9538 3.9538 4.4397 4.4397 4.6525 4.6525 4.8414 4.8414 11.4717 11.4717 11.5330 11.5330 11.6249 11.6249 11.7005 11.7005 12.0709 12.0709 k = 0.2100 0.2100 0.3029 ( 6076 PWs) bands (ev): -20.1369 -20.1369 -20.0334 -20.0334 -16.1243 -16.1243 -16.1211 -16.1211 -7.9259 -7.9259 -7.6179 -7.6179 -6.6589 -6.6589 -6.5365 -6.5365 -4.7581 -4.7581 -4.7330 -4.7330 -4.6440 -4.6440 -4.4734 -4.4734 1.9687 1.9687 2.1226 2.1226 2.1448 2.1448 2.2487 2.2487 2.3226 2.3226 2.6563 2.6563 3.6047 3.6047 3.7686 3.7686 3.9671 3.9671 4.4473 4.4473 4.6695 4.6695 4.8502 4.8502 11.4624 11.4624 11.5170 11.5170 11.5367 11.5367 11.6117 11.6117 12.0436 12.0436 k = 0.2000 0.2000 0.3029 ( 6080 PWs) bands (ev): -20.1419 -20.1419 -20.0335 -20.0335 -16.1200 -16.1200 -16.1168 -16.1168 -7.9313 -7.9313 -7.6117 -7.6117 -6.6622 -6.6622 -6.5330 -6.5330 -4.7640 -4.7640 -4.7277 -4.7277 -4.6351 -4.6351 -4.4751 -4.4751 1.9844 1.9844 2.1045 2.1045 2.1295 2.1295 2.2390 2.2390 2.3426 2.3426 2.6499 2.6499 3.6057 3.6057 3.7684 3.7684 3.9834 3.9834 4.4547 4.4547 4.6860 4.6860 4.8583 4.8583 11.4109 11.4109 11.4848 11.4848 11.4965 11.4965 11.5360 11.5360 12.0149 12.0149 k = 0.1900 0.1900 0.3029 ( 6080 PWs) bands (ev): -20.1467 -20.1467 -20.0336 -20.0336 -16.1157 -16.1157 -16.1126 -16.1126 -7.9360 -7.9360 -7.6052 -7.6052 -6.6659 -6.6659 -6.5298 -6.5298 -4.7705 -4.7705 -4.7223 -4.7223 -4.6263 -4.6263 -4.4771 -4.4771 1.9994 1.9994 2.0843 2.0843 2.1174 2.1174 2.2292 2.2292 2.3627 2.3627 2.6435 2.6435 3.6076 3.6076 3.7692 3.7692 4.0016 4.0016 4.4619 4.4619 4.7017 4.7017 4.8656 4.8656 11.3247 11.3247 11.4256 11.4256 11.4770 11.4770 11.5057 11.5057 11.9854 11.9854 k = 0.1800 0.1800 0.3029 ( 6090 PWs) bands (ev): -20.1515 -20.1515 -20.0338 -20.0338 -16.1116 -16.1116 -16.1085 -16.1085 -7.9401 -7.9401 -7.5984 -7.5984 -6.6699 -6.6699 -6.5272 -6.5272 -4.7774 -4.7774 -4.7170 -4.7170 -4.6178 -4.6178 -4.4795 -4.4795 2.0132 2.0132 2.0638 2.0638 2.1072 2.1072 2.2196 2.2196 2.3825 2.3825 2.6369 2.6369 3.6104 3.6104 3.7718 3.7718 4.0210 4.0210 4.4687 4.4687 4.7166 4.7166 4.8724 4.8724 11.2366 11.2366 11.3445 11.3445 11.4715 11.4715 11.4909 11.4909 11.9558 11.9558 k = 0.1700 0.1700 0.3029 ( 6086 PWs) bands (ev): -20.1561 -20.1561 -20.0339 -20.0339 -16.1076 -16.1076 -16.1046 -16.1046 -7.9435 -7.9435 -7.5913 -7.5913 -6.6742 -6.6742 -6.5249 -6.5249 -4.7846 -4.7846 -4.7119 -4.7119 -4.6098 -4.6098 -4.4819 -4.4819 2.0240 2.0240 2.0451 2.0451 2.0982 2.0982 2.2106 2.2106 2.4013 2.4013 2.6303 2.6303 3.6145 3.6145 3.7765 3.7765 4.0410 4.0410 4.4749 4.4749 4.7305 4.7305 4.8786 4.8786 11.1507 11.1507 11.2647 11.2647 11.4662 11.4662 11.4792 11.4792 11.9266 11.9266 k = 0.1600 0.1600 0.3029 ( 6086 PWs) bands (ev): -20.1605 -20.1605 -20.0340 -20.0340 -16.1037 -16.1037 -16.1008 -16.1008 -7.9464 -7.9464 -7.5840 -7.5840 -6.6786 -6.6786 -6.5231 -6.5231 -4.7920 -4.7920 -4.7069 -4.7069 -4.6023 -4.6023 -4.4844 -4.4844 2.0181 2.0181 2.0423 2.0423 2.0901 2.0901 2.2023 2.2023 2.4191 2.4191 2.6237 2.6237 3.6198 3.6198 3.7836 3.7836 4.0612 4.0612 4.4804 4.4804 4.7429 4.7429 4.8847 4.8847 11.0681 11.0681 11.1876 11.1876 11.4601 11.4601 11.4702 11.4702 11.8983 11.8983 k = 0.1500 0.1500 0.3029 ( 6092 PWs) bands (ev): -20.1648 -20.1648 -20.0341 -20.0341 -16.1000 -16.1000 -16.0971 -16.0971 -7.9487 -7.9487 -7.5766 -7.5766 -6.6833 -6.6833 -6.5218 -6.5218 -4.7995 -4.7995 -4.7021 -4.7021 -4.5955 -4.5955 -4.4867 -4.4867 2.0000 2.0000 2.0509 2.0509 2.0829 2.0829 2.1948 2.1948 2.4355 2.4355 2.6173 2.6173 3.6264 3.6264 3.7932 3.7932 4.0814 4.0814 4.4849 4.4849 4.7537 4.7537 4.8908 4.8908 10.9892 10.9892 11.1139 11.1139 11.4522 11.4522 11.4648 11.4648 11.8712 11.8712 k = 0.1400 0.1400 0.3029 ( 6092 PWs) bands (ev): -20.1688 -20.1688 -20.0343 -20.0343 -16.0965 -16.0965 -16.0935 -16.0935 -7.9504 -7.9504 -7.5690 -7.5690 -6.6880 -6.6880 -6.5209 -6.5209 -4.8071 -4.8071 -4.6975 -4.6975 -4.5897 -4.5897 -4.4886 -4.4886 1.9816 1.9816 2.0589 2.0589 2.0765 2.0765 2.1881 2.1881 2.4505 2.4505 2.6111 2.6111 3.6342 3.6342 3.8054 3.8054 4.1011 4.1011 4.4883 4.4883 4.7625 4.7625 4.8975 4.8975 10.9141 10.9141 11.0437 11.0437 11.4423 11.4423 11.4634 11.4634 11.8458 11.8458 k = 0.1300 0.1300 0.3029 ( 6092 PWs) bands (ev): -20.1726 -20.1726 -20.0344 -20.0344 -16.0931 -16.0931 -16.0902 -16.0902 -7.9517 -7.9517 -7.5615 -7.5615 -6.6927 -6.6927 -6.5204 -6.5204 -4.8145 -4.8145 -4.6931 -4.6931 -4.5849 -4.5849 -4.4899 -4.4899 1.9639 1.9639 2.0645 2.0645 2.0719 2.0719 2.1824 2.1824 2.4639 2.4639 2.6052 2.6052 3.6432 3.6432 3.8201 3.8201 4.1203 4.1203 4.4903 4.4903 4.7690 4.7690 4.9052 4.9052 10.8432 10.8432 10.9775 10.9775 11.4309 11.4309 11.4653 11.4653 11.8224 11.8224 k = 0.1200 0.1200 0.3029 ( 6092 PWs) bands (ev): -20.1763 -20.1763 -20.0345 -20.0345 -16.0900 -16.0900 -16.0870 -16.0870 -7.9526 -7.9526 -7.5540 -7.5540 -6.6974 -6.6974 -6.5204 -6.5204 -4.8218 -4.8218 -4.6890 -4.6890 -4.5813 -4.5813 -4.4905 -4.4905 1.9472 1.9472 2.0632 2.0632 2.0732 2.0732 2.1776 2.1776 2.4756 2.4756 2.5996 2.5996 3.6530 3.6530 3.8374 3.8374 4.1386 4.1386 4.4905 4.4905 4.7733 4.7733 4.9140 4.9140 10.7767 10.7767 10.9154 10.9154 11.4183 11.4183 11.4701 11.4701 11.8014 11.8014 k = 0.1100 0.1100 0.3029 ( 6092 PWs) bands (ev): -20.1796 -20.1796 -20.0346 -20.0346 -16.0871 -16.0871 -16.0841 -16.0841 -7.9532 -7.9532 -7.5467 -7.5467 -6.7019 -6.7019 -6.5206 -6.5206 -4.8289 -4.8289 -4.6850 -4.6850 -4.5788 -4.5788 -4.4904 -4.4904 1.9316 1.9316 2.0589 2.0589 2.0765 2.0765 2.1738 2.1738 2.4857 2.4857 2.5946 2.5946 3.6635 3.6635 3.8570 3.8570 4.1559 4.1559 4.4887 4.4887 4.7755 4.7755 4.9240 4.9240 10.7148 10.7148 10.8576 10.8576 11.4049 11.4049 11.4774 11.4774 11.7831 11.7831 k = 0.1000 0.1000 0.3029 ( 6092 PWs) bands (ev): -20.1828 -20.1828 -20.0347 -20.0347 -16.0844 -16.0844 -16.0813 -16.0813 -7.9534 -7.9534 -7.5396 -7.5396 -6.7063 -6.7063 -6.5212 -6.5212 -4.8357 -4.8357 -4.6813 -4.6813 -4.5775 -4.5775 -4.4896 -4.4896 1.9171 1.9171 2.0548 2.0548 2.0788 2.0788 2.1709 2.1709 2.4941 2.4941 2.5902 2.5902 3.6742 3.6742 3.8790 3.8790 4.1720 4.1720 4.4844 4.4844 4.7761 4.7761 4.9350 4.9350 10.6576 10.6576 10.8042 10.8042 11.3907 11.3907 11.4865 11.4865 11.7681 11.7681 k = 0.0900 0.0900 0.3029 ( 6108 PWs) bands (ev): -20.1856 -20.1856 -20.0348 -20.0348 -16.0819 -16.0819 -16.0788 -16.0788 -7.9534 -7.9534 -7.5329 -7.5329 -6.7104 -6.7104 -6.5220 -6.5220 -4.8420 -4.8420 -4.6778 -4.6778 -4.5772 -4.5772 -4.4881 -4.4881 1.9039 1.9039 2.0512 2.0512 2.0801 2.0801 2.1687 2.1687 2.5007 2.5007 2.5865 2.5865 3.6848 3.6848 3.9032 3.9032 4.1866 4.1866 4.4774 4.4774 4.7755 4.7755 4.9467 4.9467 10.6053 10.6053 10.7554 10.7554 11.3762 11.3762 11.4964 11.4964 11.7567 11.7567 k = 0.0800 0.0800 0.3029 ( 6112 PWs) bands (ev): -20.1882 -20.1882 -20.0349 -20.0349 -16.0797 -16.0797 -16.0765 -16.0765 -7.9533 -7.9533 -7.5265 -7.5265 -6.7142 -6.7142 -6.5230 -6.5230 -4.8479 -4.8479 -4.6747 -4.6747 -4.5776 -4.5776 -4.4862 -4.4862 1.8920 1.8920 2.0480 2.0480 2.0804 2.0804 2.1671 2.1671 2.5058 2.5058 2.5836 2.5836 3.6951 3.6951 3.9293 3.9293 4.1996 4.1996 4.4676 4.4676 4.7745 4.7745 4.9586 4.9586 10.5581 10.5581 10.7114 10.7114 11.3616 11.3616 11.5061 11.5061 11.7494 11.7494 k = 0.0700 0.0700 0.3029 ( 6114 PWs) bands (ev): -20.1905 -20.1905 -20.0350 -20.0350 -16.0777 -16.0777 -16.0744 -16.0744 -7.9530 -7.9530 -7.5207 -7.5207 -6.7177 -6.7177 -6.5241 -6.5241 -4.8533 -4.8533 -4.6718 -4.6718 -4.5786 -4.5786 -4.4840 -4.4840 1.8814 1.8814 2.0452 2.0452 2.0802 2.0802 2.1660 2.1660 2.5095 2.5095 2.5815 2.5815 3.7047 3.7047 3.9572 3.9572 4.2107 4.2107 4.4552 4.4552 4.7733 4.7733 4.9703 4.9703 10.5160 10.5160 10.6722 10.6722 11.3474 11.3474 11.5147 11.5147 11.7465 11.7465 k = 0.0600 0.0600 0.3029 ( 6110 PWs) bands (ev): -20.1925 -20.1925 -20.0350 -20.0350 -16.0760 -16.0760 -16.0726 -16.0726 -7.9526 -7.9526 -7.5155 -7.5155 -6.7207 -6.7207 -6.5253 -6.5253 -4.8581 -4.8581 -4.6692 -4.6692 -4.5799 -4.5799 -4.4818 -4.4818 1.8721 1.8721 2.0429 2.0429 2.0795 2.0795 2.1652 2.1652 2.5118 2.5118 2.5800 2.5800 3.7134 3.7134 3.9863 3.9863 4.2196 4.2196 4.4405 4.4405 4.7722 4.7722 4.9815 4.9815 10.4793 10.4793 10.6381 10.6381 11.3340 11.3340 11.5214 11.5214 11.7478 11.7478 k = 0.0500 0.0500 0.3029 ( 6106 PWs) bands (ev): -20.1943 -20.1943 -20.0351 -20.0351 -16.0745 -16.0745 -16.0710 -16.0710 -7.9522 -7.9522 -7.5109 -7.5109 -6.7234 -6.7234 -6.5264 -6.5264 -4.8622 -4.8622 -4.6670 -4.6670 -4.5814 -4.5814 -4.4796 -4.4796 1.8642 1.8642 2.0409 2.0409 2.0786 2.0786 2.1646 2.1646 2.5133 2.5133 2.5791 2.5791 3.7210 3.7210 4.0162 4.0162 4.2259 4.2259 4.4242 4.4242 4.7714 4.7714 4.9916 4.9916 10.4481 10.4481 10.6090 10.6090 11.3217 11.3217 11.5260 11.5260 11.7525 11.7525 k = 0.0400 0.0400 0.3029 ( 6110 PWs) bands (ev): -20.1957 -20.1957 -20.0351 -20.0351 -16.0733 -16.0733 -16.0698 -16.0698 -7.9518 -7.9518 -7.5071 -7.5071 -6.7256 -6.7256 -6.5274 -6.5274 -4.8657 -4.8657 -4.6651 -4.6651 -4.5828 -4.5828 -4.4777 -4.4777 1.8578 1.8578 2.0394 2.0394 2.0777 2.0777 2.1642 2.1642 2.5139 2.5139 2.5786 2.5786 3.7274 3.7274 4.0460 4.0460 4.2292 4.2292 4.4074 4.4074 4.7709 4.7709 5.0005 5.0005 10.4224 10.4224 10.5851 10.5851 11.3110 11.3110 11.5287 11.5287 11.7593 11.7593 k = 0.0300 0.0300 0.3029 ( 6112 PWs) bands (ev): -20.1968 -20.1968 -20.0352 -20.0352 -16.0724 -16.0724 -16.0688 -16.0688 -7.9514 -7.9514 -7.5040 -7.5040 -6.7274 -6.7274 -6.5282 -6.5282 -4.8684 -4.8684 -4.6636 -4.6636 -4.5840 -4.5840 -4.4761 -4.4761 1.8527 1.8527 2.0382 2.0382 2.0769 2.0769 2.1639 2.1639 2.5142 2.5142 2.5785 2.5785 3.7324 3.7324 4.0747 4.0747 4.2289 4.2289 4.3916 4.3916 4.7706 4.7706 5.0077 5.0077 10.4023 10.4023 10.5665 10.5665 11.3023 11.3023 11.5300 11.5300 11.7668 11.7668 k = 0.0200 0.0200 0.3029 ( 6112 PWs) bands (ev): -20.1976 -20.1976 -20.0352 -20.0352 -16.0717 -16.0717 -16.0681 -16.0681 -7.9512 -7.9512 -7.5018 -7.5018 -6.7287 -6.7287 -6.5289 -6.5289 -4.8703 -4.8703 -4.6625 -4.6625 -4.5849 -4.5849 -4.4749 -4.4749 1.8491 1.8491 2.0373 2.0373 2.0762 2.0762 2.1637 2.1637 2.5142 2.5142 2.5784 2.5784 3.7361 3.7361 4.1004 4.1004 4.2251 4.2251 4.3787 4.3787 4.7705 4.7705 5.0130 5.0130 10.3879 10.3879 10.5531 10.5531 11.2958 11.2958 11.5305 11.5305 11.7734 11.7734 k = 0.0100 0.0100 0.3029 ( 6112 PWs) bands (ev): -20.1980 -20.1980 -20.0352 -20.0352 -16.0713 -16.0713 -16.0676 -16.0676 -7.9510 -7.9510 -7.5005 -7.5005 -6.7294 -6.7294 -6.5293 -6.5293 -4.8715 -4.8715 -4.6619 -4.6619 -4.5855 -4.5855 -4.4742 -4.4742 1.8469 1.8469 2.0368 2.0368 2.0758 2.0758 2.1636 2.1636 2.5142 2.5142 2.5784 2.5784 3.7383 3.7383 4.1199 4.1199 4.2195 4.2195 4.3703 4.3703 4.7705 4.7705 5.0163 5.0163 10.3792 10.3792 10.5451 10.5451 11.2918 11.2918 11.5306 11.5306 11.7779 11.7779 k = 0.0000 0.0000 0.3029 ( 6120 PWs) bands (ev): -20.1982 -20.1982 -20.0352 -20.0352 -16.0711 -16.0711 -16.0675 -16.0675 -7.9509 -7.9509 -7.5000 -7.5000 -6.7297 -6.7297 -6.5294 -6.5294 -4.8719 -4.8719 -4.6617 -4.6617 -4.5857 -4.5857 -4.4740 -4.4740 1.8462 1.8462 2.0366 2.0366 2.0757 2.0757 2.1635 2.1635 2.5142 2.5142 2.5784 2.5784 3.7390 3.7390 4.1277 4.1277 4.2165 4.2165 4.3674 4.3674 4.7705 4.7705 5.0174 5.0174 10.3764 10.3764 10.5424 10.5424 11.2905 11.2905 11.5306 11.5306 11.7794 11.7794 k = 0.0000 0.5000-0.0000 ( 6076 PWs) bands (ev): -20.0744 -20.0744 -20.0744 -20.0744 -16.1407 -16.1407 -16.1407 -16.1407 -7.8173 -7.8173 -7.8173 -7.8173 -6.5722 -6.5722 -6.5722 -6.5722 -4.7263 -4.7263 -4.7263 -4.7263 -4.5493 -4.5493 -4.5493 -4.5493 2.1378 2.1378 2.1378 2.1378 2.2687 2.2687 2.2687 2.2687 2.3780 2.3780 2.3780 2.3780 3.6784 3.6784 3.6784 3.6784 4.2205 4.2205 4.2205 4.2205 4.6337 4.6337 4.6337 4.6337 10.8058 10.8058 10.8058 10.8058 11.2912 11.2912 11.2912 11.2912 11.9672 11.9672 k = 0.0000 0.5000 0.0138 ( 6084 PWs) bands (ev): -20.0744 -20.0744 -20.0744 -20.0744 -16.1407 -16.1407 -16.1407 -16.1407 -7.8174 -7.8174 -7.8174 -7.8174 -6.5721 -6.5721 -6.5721 -6.5721 -4.7261 -4.7261 -4.7261 -4.7261 -4.5494 -4.5494 -4.5494 -4.5494 2.1379 2.1379 2.1379 2.1379 2.2686 2.2686 2.2686 2.2686 2.3776 2.3776 2.3776 2.3776 3.6777 3.6777 3.6777 3.6777 4.2205 4.2205 4.2205 4.2205 4.6340 4.6340 4.6340 4.6340 10.8069 10.8069 10.8069 10.8069 11.2951 11.2951 11.2951 11.2951 11.9682 11.9682 k = 0.0000 0.5000 0.0275 ( 6088 PWs) bands (ev): -20.0744 -20.0744 -20.0744 -20.0744 -16.1407 -16.1407 -16.1407 -16.1407 -7.8177 -7.8177 -7.8177 -7.8177 -6.5718 -6.5718 -6.5718 -6.5718 -4.7255 -4.7255 -4.7255 -4.7255 -4.5496 -4.5496 -4.5496 -4.5496 2.1380 2.1380 2.1380 2.1380 2.2682 2.2682 2.2682 2.2682 2.3766 2.3766 2.3766 2.3766 3.6758 3.6758 3.6758 3.6758 4.2207 4.2207 4.2207 4.2207 4.6346 4.6346 4.6346 4.6346 10.8101 10.8101 10.8101 10.8101 11.3067 11.3067 11.3067 11.3067 11.9711 11.9711 k = 0.0000 0.5000 0.0413 ( 6084 PWs) bands (ev): -20.0744 -20.0744 -20.0744 -20.0744 -16.1407 -16.1407 -16.1407 -16.1407 -7.8181 -7.8181 -7.8181 -7.8181 -6.5714 -6.5714 -6.5714 -6.5714 -4.7246 -4.7246 -4.7246 -4.7246 -4.5499 -4.5499 -4.5499 -4.5499 2.1383 2.1383 2.1383 2.1383 2.2677 2.2677 2.2677 2.2677 2.3749 2.3749 2.3749 2.3749 3.6727 3.6727 3.6727 3.6727 4.2210 4.2210 4.2210 4.2210 4.6357 4.6357 4.6357 4.6357 10.8155 10.8155 10.8155 10.8155 11.3260 11.3260 11.3260 11.3260 11.9759 11.9759 k = 0.0000 0.5000 0.0551 ( 6088 PWs) bands (ev): -20.0744 -20.0744 -20.0744 -20.0744 -16.1408 -16.1408 -16.1408 -16.1408 -7.8188 -7.8188 -7.8188 -7.8188 -6.5708 -6.5708 -6.5708 -6.5708 -4.7233 -4.7233 -4.7233 -4.7233 -4.5503 -4.5503 -4.5503 -4.5503 2.1386 2.1386 2.1386 2.1386 2.2670 2.2670 2.2670 2.2670 2.3726 2.3726 2.3726 2.3726 3.6685 3.6685 3.6685 3.6685 4.2215 4.2215 4.2215 4.2215 4.6372 4.6372 4.6372 4.6372 10.8229 10.8229 10.8229 10.8229 11.3526 11.3526 11.3526 11.3526 11.9826 11.9826 k = 0.0000 0.5000 0.0688 ( 6084 PWs) bands (ev): -20.0744 -20.0744 -20.0744 -20.0744 -16.1408 -16.1408 -16.1408 -16.1408 -7.8195 -7.8195 -7.8195 -7.8195 -6.5701 -6.5701 -6.5701 -6.5701 -4.7217 -4.7217 -4.7217 -4.7217 -4.5508 -4.5508 -4.5508 -4.5508 2.1391 2.1391 2.1391 2.1391 2.2660 2.2660 2.2660 2.2660 2.3696 2.3696 2.3696 2.3696 3.6633 3.6633 3.6633 3.6633 4.2221 4.2221 4.2221 4.2221 4.6390 4.6390 4.6390 4.6390 10.8322 10.8322 10.8322 10.8322 11.3861 11.3861 11.3861 11.3861 11.9913 11.9913 k = 0.0000 0.5000 0.0826 ( 6090 PWs) bands (ev): -20.0744 -20.0744 -20.0744 -20.0744 -16.1408 -16.1408 -16.1408 -16.1408 -7.8205 -7.8205 -7.8205 -7.8205 -6.5692 -6.5692 -6.5692 -6.5692 -4.7198 -4.7198 -4.7198 -4.7198 -4.5515 -4.5515 -4.5515 -4.5515 2.1396 2.1396 2.1396 2.1396 2.2649 2.2649 2.2649 2.2649 2.3662 2.3662 2.3662 2.3662 3.6572 3.6572 3.6572 3.6572 4.2229 4.2229 4.2229 4.2229 4.6411 4.6411 4.6411 4.6411 10.8433 10.8433 10.8433 10.8433 11.4261 11.4261 11.4261 11.4261 12.0018 12.0018 k = 0.0000 0.5000 0.0964 ( 6096 PWs) bands (ev): -20.0744 -20.0744 -20.0744 -20.0744 -16.1408 -16.1408 -16.1408 -16.1408 -7.8215 -7.8215 -7.8215 -7.8215 -6.5682 -6.5682 -6.5682 -6.5682 -4.7176 -4.7176 -4.7176 -4.7176 -4.5522 -4.5522 -4.5522 -4.5522 2.1402 2.1402 2.1402 2.1402 2.2637 2.2637 2.2637 2.2637 2.3623 2.3623 2.3623 2.3623 3.6504 3.6504 3.6504 3.6504 4.2238 4.2238 4.2238 4.2238 4.6433 4.6433 4.6433 4.6433 10.8560 10.8560 10.8560 10.8560 11.4719 11.4719 11.4719 11.4719 12.0141 12.0141 k = 0.0000 0.5000 0.1102 ( 6092 PWs) bands (ev): -20.0744 -20.0744 -20.0744 -20.0744 -16.1408 -16.1408 -16.1408 -16.1408 -7.8226 -7.8226 -7.8226 -7.8226 -6.5671 -6.5671 -6.5671 -6.5671 -4.7152 -4.7152 -4.7152 -4.7152 -4.5530 -4.5530 -4.5530 -4.5530 2.1408 2.1408 2.1408 2.1408 2.2623 2.2623 2.2623 2.2623 2.3580 2.3580 2.3580 2.3580 3.6429 3.6429 3.6429 3.6429 4.2248 4.2248 4.2248 4.2248 4.6457 4.6457 4.6457 4.6457 10.8701 10.8701 10.8701 10.8701 11.5226 11.5226 11.5226 11.5226 12.0282 12.0282 k = 0.0000 0.5000 0.1239 ( 6082 PWs) bands (ev): -20.0744 -20.0744 -20.0744 -20.0744 -16.1408 -16.1408 -16.1408 -16.1408 -7.8238 -7.8238 -7.8238 -7.8238 -6.5660 -6.5660 -6.5660 -6.5660 -4.7126 -4.7126 -4.7126 -4.7126 -4.5539 -4.5539 -4.5539 -4.5539 2.1415 2.1415 2.1415 2.1415 2.2608 2.2608 2.2608 2.2608 2.3534 2.3534 2.3534 2.3534 3.6351 3.6351 3.6351 3.6351 4.2260 4.2260 4.2260 4.2260 4.6481 4.6481 4.6481 4.6481 10.8854 10.8854 10.8854 10.8854 11.5771 11.5771 11.5771 11.5771 12.0440 12.0440 k = 0.0000 0.5000 0.1377 ( 6090 PWs) bands (ev): -20.0744 -20.0744 -20.0744 -20.0744 -16.1408 -16.1408 -16.1408 -16.1408 -7.8251 -7.8251 -7.8251 -7.8251 -6.5648 -6.5648 -6.5648 -6.5648 -4.7098 -4.7098 -4.7098 -4.7098 -4.5549 -4.5549 -4.5549 -4.5549 2.1422 2.1422 2.1422 2.1422 2.2592 2.2592 2.2592 2.2592 2.3486 2.3486 2.3486 2.3486 3.6271 3.6271 3.6271 3.6271 4.2273 4.2273 4.2273 4.2273 4.6505 4.6505 4.6505 4.6505 10.9016 10.9016 10.9016 10.9016 11.6343 11.6343 11.6343 11.6343 12.0614 12.0614 k = 0.0000 0.5000 0.1515 ( 6090 PWs) bands (ev): -20.0744 -20.0744 -20.0744 -20.0744 -16.1408 -16.1408 -16.1408 -16.1408 -7.8264 -7.8264 -7.8264 -7.8264 -6.5636 -6.5636 -6.5636 -6.5636 -4.7070 -4.7070 -4.7070 -4.7070 -4.5560 -4.5560 -4.5560 -4.5560 2.1429 2.1429 2.1429 2.1429 2.2575 2.2575 2.2575 2.2575 2.3437 2.3437 2.3437 2.3437 3.6190 3.6190 3.6190 3.6190 4.2286 4.2286 4.2286 4.2286 4.6529 4.6529 4.6529 4.6529 10.9184 10.9184 10.9184 10.9184 11.6925 11.6925 11.6925 11.6925 12.0804 12.0804 k = 0.0000 0.5000 0.1652 ( 6092 PWs) bands (ev): -20.0744 -20.0744 -20.0744 -20.0744 -16.1409 -16.1409 -16.1409 -16.1409 -7.8276 -7.8276 -7.8276 -7.8276 -6.5624 -6.5624 -6.5624 -6.5624 -4.7041 -4.7041 -4.7041 -4.7041 -4.5571 -4.5571 -4.5571 -4.5571 2.1436 2.1436 2.1436 2.1436 2.2558 2.2558 2.2558 2.2558 2.3389 2.3389 2.3389 2.3389 3.6110 3.6110 3.6110 3.6110 4.2301 4.2301 4.2301 4.2301 4.6551 4.6551 4.6551 4.6551 10.9355 10.9355 10.9355 10.9355 11.7501 11.7501 11.7501 11.7501 12.1008 12.1008 k = 0.0000 0.5000 0.1790 ( 6082 PWs) bands (ev): -20.0744 -20.0744 -20.0744 -20.0744 -16.1409 -16.1409 -16.1409 -16.1409 -7.8289 -7.8289 -7.8289 -7.8289 -6.5613 -6.5613 -6.5613 -6.5613 -4.7012 -4.7012 -4.7012 -4.7012 -4.5582 -4.5582 -4.5582 -4.5582 2.1443 2.1443 2.1443 2.1443 2.2541 2.2541 2.2541 2.2541 2.3342 2.3342 2.3342 2.3342 3.6033 3.6033 3.6033 3.6033 4.2315 4.2315 4.2315 4.2315 4.6572 4.6572 4.6572 4.6572 10.9526 10.9526 10.9526 10.9526 11.8052 11.8052 11.8052 11.8052 12.1223 12.1223 k = 0.0000 0.5000 0.1928 ( 6078 PWs) bands (ev): -20.0744 -20.0744 -20.0744 -20.0744 -16.1409 -16.1409 -16.1409 -16.1409 -7.8301 -7.8301 -7.8301 -7.8301 -6.5601 -6.5601 -6.5601 -6.5601 -4.6984 -4.6984 -4.6984 -4.6984 -4.5593 -4.5593 -4.5593 -4.5593 2.1449 2.1449 2.1449 2.1449 2.2525 2.2525 2.2525 2.2525 2.3297 2.3297 2.3297 2.3297 3.5960 3.5960 3.5960 3.5960 4.2329 4.2329 4.2329 4.2329 4.6591 4.6591 4.6591 4.6591 10.9694 10.9694 10.9694 10.9694 11.8559 11.8559 11.8559 11.8559 12.1447 12.1447 k = 0.0000 0.5000 0.2065 ( 6076 PWs) bands (ev): -20.0744 -20.0744 -20.0744 -20.0744 -16.1409 -16.1409 -16.1409 -16.1409 -7.8312 -7.8312 -7.8312 -7.8312 -6.5591 -6.5591 -6.5591 -6.5591 -4.6957 -4.6957 -4.6957 -4.6957 -4.5603 -4.5603 -4.5603 -4.5603 2.1455 2.1455 2.1455 2.1455 2.2509 2.2509 2.2509 2.2509 2.3255 2.3255 2.3255 2.3255 3.5893 3.5893 3.5893 3.5893 4.2343 4.2343 4.2343 4.2343 4.6608 4.6608 4.6608 4.6608 10.9853 10.9853 10.9853 10.9853 11.9007 11.9007 11.9007 11.9007 12.1675 12.1675 k = 0.0000 0.5000 0.2203 ( 6056 PWs) bands (ev): -20.0744 -20.0744 -20.0744 -20.0744 -16.1409 -16.1409 -16.1409 -16.1409 -7.8322 -7.8322 -7.8322 -7.8322 -6.5581 -6.5581 -6.5581 -6.5581 -4.6932 -4.6932 -4.6932 -4.6932 -4.5614 -4.5614 -4.5614 -4.5614 2.1461 2.1461 2.1461 2.1461 2.2494 2.2494 2.2494 2.2494 2.3217 2.3217 2.3217 2.3217 3.5832 3.5832 3.5832 3.5832 4.2356 4.2356 4.2356 4.2356 4.6624 4.6624 4.6624 4.6624 11.0002 11.0002 11.0002 11.0002 11.9386 11.9386 11.9386 11.9386 12.1900 12.1900 k = 0.0000 0.5000 0.2341 ( 6064 PWs) bands (ev): -20.0744 -20.0744 -20.0744 -20.0744 -16.1409 -16.1409 -16.1409 -16.1409 -7.8331 -7.8331 -7.8331 -7.8331 -6.5573 -6.5573 -6.5573 -6.5573 -4.6910 -4.6910 -4.6910 -4.6910 -4.5623 -4.5623 -4.5623 -4.5623 2.1465 2.1465 2.1465 2.1465 2.2480 2.2480 2.2480 2.2480 2.3184 2.3184 2.3184 2.3184 3.5779 3.5779 3.5779 3.5779 4.2367 4.2367 4.2367 4.2367 4.6637 4.6637 4.6637 4.6637 11.0135 11.0135 11.0135 11.0135 11.9694 11.9694 11.9694 11.9694 12.2115 12.2115 k = 0.0000 0.5000 0.2478 ( 6052 PWs) bands (ev): -20.0744 -20.0744 -20.0744 -20.0744 -16.1409 -16.1409 -16.1409 -16.1409 -7.8339 -7.8339 -7.8339 -7.8339 -6.5566 -6.5566 -6.5566 -6.5566 -4.6890 -4.6890 -4.6890 -4.6890 -4.5631 -4.5631 -4.5631 -4.5631 2.1469 2.1469 2.1469 2.1469 2.2469 2.2469 2.2469 2.2469 2.3156 2.3156 2.3156 2.3156 3.5735 3.5735 3.5735 3.5735 4.2377 4.2377 4.2377 4.2377 4.6647 4.6647 4.6647 4.6647 11.0250 11.0250 11.0250 11.0250 11.9933 11.9933 11.9933 11.9933 12.2310 12.2310 k = 0.0000 0.5000 0.2616 ( 6064 PWs) bands (ev): -20.0744 -20.0744 -20.0744 -20.0744 -16.1409 -16.1409 -16.1409 -16.1409 -7.8345 -7.8345 -7.8345 -7.8345 -6.5560 -6.5560 -6.5560 -6.5560 -4.6875 -4.6875 -4.6875 -4.6875 -4.5638 -4.5638 -4.5638 -4.5638 2.1472 2.1472 2.1472 2.1472 2.2459 2.2459 2.2459 2.2459 2.3134 2.3134 2.3134 2.3134 3.5699 3.5699 3.5699 3.5699 4.2385 4.2385 4.2385 4.2385 4.6655 4.6655 4.6655 4.6655 11.0343 11.0343 11.0343 11.0343 12.0109 12.0109 12.0109 12.0109 12.2477 12.2477 k = 0.0000 0.5000 0.2754 ( 6060 PWs) bands (ev): -20.0744 -20.0744 -20.0744 -20.0744 -16.1409 -16.1409 -16.1409 -16.1409 -7.8349 -7.8349 -7.8349 -7.8349 -6.5556 -6.5556 -6.5556 -6.5556 -4.6863 -4.6863 -4.6863 -4.6863 -4.5643 -4.5643 -4.5643 -4.5643 2.1474 2.1474 2.1474 2.1474 2.2452 2.2452 2.2452 2.2452 2.3118 2.3118 2.3118 2.3118 3.5674 3.5674 3.5674 3.5674 4.2390 4.2390 4.2390 4.2390 4.6661 4.6661 4.6661 4.6661 11.0411 11.0411 11.0411 11.0411 12.0229 12.0229 12.0229 12.0229 12.2607 12.2607 k = 0.0000 0.5000 0.2891 ( 6084 PWs) bands (ev): -20.0744 -20.0744 -20.0744 -20.0744 -16.1409 -16.1409 -16.1409 -16.1409 -7.8352 -7.8352 -7.8352 -7.8352 -6.5554 -6.5554 -6.5554 -6.5554 -4.6856 -4.6856 -4.6856 -4.6856 -4.5646 -4.5646 -4.5646 -4.5646 2.1476 2.1476 2.1476 2.1476 2.2448 2.2448 2.2448 2.2448 2.3108 2.3108 2.3108 2.3108 3.5658 3.5658 3.5658 3.5658 4.2394 4.2394 4.2394 4.2394 4.6665 4.6665 4.6665 4.6665 11.0453 11.0453 11.0453 11.0453 12.0298 12.0298 12.0298 12.0298 12.2689 12.2689 k = 0.0000 0.5000 0.3029 ( 6088 PWs) bands (ev): -20.0744 -20.0744 -20.0744 -20.0744 -16.1409 -16.1409 -16.1409 -16.1409 -7.8353 -7.8353 -7.8353 -7.8353 -6.5553 -6.5553 -6.5553 -6.5553 -4.6854 -4.6854 -4.6854 -4.6854 -4.5647 -4.5647 -4.5647 -4.5647 2.1476 2.1476 2.1476 2.1476 2.2446 2.2446 2.2446 2.2446 2.3105 2.3105 2.3105 2.3105 3.5653 3.5653 3.5653 3.5653 4.2395 4.2395 4.2395 4.2395 4.6666 4.6666 4.6666 4.6666 11.0467 11.0467 11.0467 11.0467 12.0321 12.0321 12.0321 12.0321 12.2717 12.2717 k = 0.5000 0.5000-0.0000 ( 6020 PWs) bands (ev): -20.0314 -20.0314 -20.0314 -20.0314 -16.2123 -16.2123 -16.2123 -16.2123 -7.6136 -7.6136 -7.6136 -7.6136 -6.7214 -6.7214 -6.7214 -6.7214 -4.8583 -4.8583 -4.8583 -4.8583 -4.6959 -4.6959 -4.6959 -4.6959 2.0717 2.0717 2.0717 2.0717 2.5372 2.5372 2.5372 2.5372 2.6423 2.6423 2.6423 2.6423 3.3887 3.3887 3.3887 3.3887 4.1973 4.1973 4.1973 4.1973 4.6471 4.6471 4.6471 4.6471 11.1881 11.1881 11.1881 11.1881 11.7447 11.7447 11.7447 11.7447 13.0435 13.0435 k = 0.5000 0.5000 0.0138 ( 6028 PWs) bands (ev): -20.0314 -20.0314 -20.0314 -20.0314 -16.2123 -16.2123 -16.2123 -16.2123 -7.6138 -7.6138 -7.6138 -7.6138 -6.7213 -6.7213 -6.7213 -6.7213 -4.8582 -4.8582 -4.8582 -4.8582 -4.6957 -4.6957 -4.6957 -4.6957 2.0708 2.0708 2.0708 2.0708 2.5372 2.5372 2.5372 2.5372 2.6423 2.6423 2.6423 2.6423 3.3887 3.3887 3.3887 3.3887 4.1975 4.1975 4.1975 4.1975 4.6471 4.6471 4.6471 4.6471 11.1917 11.1917 11.1917 11.1917 11.7450 11.7450 11.7450 11.7450 13.0434 13.0434 k = 0.5000 0.5000 0.0275 ( 6028 PWs) bands (ev): -20.0314 -20.0314 -20.0314 -20.0314 -16.2123 -16.2123 -16.2123 -16.2123 -7.6143 -7.6143 -7.6143 -7.6143 -6.7208 -6.7208 -6.7208 -6.7208 -4.8580 -4.8580 -4.8580 -4.8580 -4.6952 -4.6952 -4.6952 -4.6952 2.0680 2.0680 2.0680 2.0680 2.5372 2.5372 2.5372 2.5372 2.6423 2.6423 2.6423 2.6423 3.3886 3.3886 3.3886 3.3886 4.1981 4.1981 4.1981 4.1981 4.6473 4.6473 4.6473 4.6473 11.2022 11.2022 11.2022 11.2022 11.7461 11.7461 11.7461 11.7461 13.0432 13.0432 k = 0.5000 0.5000 0.0413 ( 6060 PWs) bands (ev): -20.0314 -20.0314 -20.0314 -20.0314 -16.2124 -16.2124 -16.2124 -16.2124 -7.6152 -7.6152 -7.6152 -7.6152 -6.7201 -6.7201 -6.7201 -6.7201 -4.8577 -4.8577 -4.8577 -4.8577 -4.6945 -4.6945 -4.6945 -4.6945 2.0634 2.0634 2.0634 2.0634 2.5372 2.5372 2.5372 2.5372 2.6423 2.6423 2.6423 2.6423 3.3885 3.3885 3.3885 3.3885 4.1991 4.1991 4.1991 4.1991 4.6477 4.6477 4.6477 4.6477 11.2197 11.2197 11.2197 11.2197 11.7478 11.7478 11.7478 11.7478 13.0429 13.0429 k = 0.5000 0.5000 0.0551 ( 6052 PWs) bands (ev): -20.0314 -20.0314 -20.0314 -20.0314 -16.2124 -16.2124 -16.2124 -16.2124 -7.6165 -7.6165 -7.6165 -7.6165 -6.7191 -6.7191 -6.7191 -6.7191 -4.8573 -4.8573 -4.8573 -4.8573 -4.6934 -4.6934 -4.6934 -4.6934 2.0572 2.0572 2.0572 2.0572 2.5372 2.5372 2.5372 2.5372 2.6424 2.6424 2.6424 2.6424 3.3884 3.3884 3.3884 3.3884 4.2005 4.2005 4.2005 4.2005 4.6481 4.6481 4.6481 4.6481 11.2438 11.2438 11.2438 11.2438 11.7502 11.7502 11.7502 11.7502 13.0422 13.0422 k = 0.5000 0.5000 0.0688 ( 6052 PWs) bands (ev): -20.0314 -20.0314 -20.0314 -20.0314 -16.2124 -16.2124 -16.2124 -16.2124 -7.6180 -7.6180 -7.6180 -7.6180 -6.7178 -6.7178 -6.7178 -6.7178 -4.8567 -4.8567 -4.8567 -4.8567 -4.6921 -4.6921 -4.6921 -4.6921 2.0494 2.0494 2.0494 2.0494 2.5372 2.5372 2.5372 2.5372 2.6425 2.6425 2.6425 2.6425 3.3882 3.3882 3.3882 3.3882 4.2022 4.2022 4.2022 4.2022 4.6487 4.6487 4.6487 4.6487 11.2744 11.2744 11.2744 11.2744 11.7533 11.7533 11.7533 11.7533 13.0413 13.0413 k = 0.5000 0.5000 0.0826 ( 6060 PWs) bands (ev): -20.0314 -20.0314 -20.0314 -20.0314 -16.2124 -16.2124 -16.2124 -16.2124 -7.6198 -7.6198 -7.6198 -7.6198 -6.7164 -6.7164 -6.7164 -6.7164 -4.8561 -4.8561 -4.8561 -4.8561 -4.6906 -4.6906 -4.6906 -4.6906 2.0402 2.0402 2.0402 2.0402 2.5372 2.5372 2.5372 2.5372 2.6425 2.6425 2.6425 2.6425 3.3879 3.3879 3.3879 3.3879 4.2041 4.2041 4.2041 4.2041 4.6493 4.6493 4.6493 4.6493 11.3111 11.3111 11.3111 11.3111 11.7570 11.7570 11.7570 11.7570 13.0399 13.0399 k = 0.5000 0.5000 0.0964 ( 6052 PWs) bands (ev): -20.0314 -20.0314 -20.0314 -20.0314 -16.2123 -16.2123 -16.2123 -16.2123 -7.6218 -7.6218 -7.6218 -7.6218 -6.7147 -6.7147 -6.7147 -6.7147 -4.8553 -4.8553 -4.8553 -4.8553 -4.6888 -4.6888 -4.6888 -4.6888 2.0299 2.0299 2.0299 2.0299 2.5372 2.5372 2.5372 2.5372 2.6426 2.6426 2.6426 2.6426 3.3877 3.3877 3.3877 3.3877 4.2063 4.2063 4.2063 4.2063 4.6501 4.6501 4.6501 4.6501 11.3533 11.3533 11.3533 11.3533 11.7614 11.7614 11.7614 11.7614 13.0382 13.0382 k = 0.5000 0.5000 0.1102 ( 6072 PWs) bands (ev): -20.0314 -20.0314 -20.0314 -20.0314 -16.2124 -16.2124 -16.2124 -16.2124 -7.6241 -7.6241 -7.6241 -7.6241 -6.7129 -6.7129 -6.7129 -6.7129 -4.8546 -4.8546 -4.8546 -4.8546 -4.6869 -4.6869 -4.6869 -4.6869 2.0186 2.0186 2.0186 2.0186 2.5372 2.5372 2.5372 2.5372 2.6427 2.6427 2.6427 2.6427 3.3873 3.3873 3.3873 3.3873 4.2087 4.2087 4.2087 4.2087 4.6509 4.6509 4.6509 4.6509 11.4007 11.4007 11.4007 11.4007 11.7663 11.7663 11.7663 11.7663 13.0360 13.0360 k = 0.5000 0.5000 0.1239 ( 6072 PWs) bands (ev): -20.0314 -20.0314 -20.0314 -20.0314 -16.2124 -16.2124 -16.2124 -16.2124 -7.6264 -7.6264 -7.6264 -7.6264 -6.7110 -6.7110 -6.7110 -6.7110 -4.8537 -4.8537 -4.8537 -4.8537 -4.6848 -4.6848 -4.6848 -4.6848 2.0066 2.0066 2.0066 2.0066 2.5372 2.5372 2.5372 2.5372 2.6428 2.6428 2.6428 2.6428 3.3870 3.3870 3.3870 3.3870 4.2112 4.2112 4.2112 4.2112 4.6518 4.6518 4.6518 4.6518 11.4525 11.4525 11.4525 11.4525 11.7717 11.7717 11.7717 11.7717 13.0335 13.0335 k = 0.5000 0.5000 0.1377 ( 6076 PWs) bands (ev): -20.0314 -20.0314 -20.0314 -20.0314 -16.2124 -16.2124 -16.2124 -16.2124 -7.6289 -7.6289 -7.6289 -7.6289 -6.7091 -6.7091 -6.7091 -6.7091 -4.8529 -4.8529 -4.8529 -4.8529 -4.6826 -4.6826 -4.6826 -4.6826 1.9942 1.9942 1.9942 1.9942 2.5373 2.5373 2.5373 2.5373 2.6430 2.6430 2.6430 2.6430 3.3866 3.3866 3.3866 3.3866 4.2138 4.2138 4.2138 4.2138 4.6527 4.6527 4.6527 4.6527 11.5079 11.5079 11.5079 11.5079 11.7777 11.7777 11.7777 11.7777 13.0306 13.0306 k = 0.5000 0.5000 0.1515 ( 6084 PWs) bands (ev): -20.0314 -20.0314 -20.0314 -20.0314 -16.2124 -16.2124 -16.2124 -16.2124 -7.6313 -7.6313 -7.6313 -7.6313 -6.7071 -6.7071 -6.7071 -6.7071 -4.8520 -4.8520 -4.8520 -4.8520 -4.6803 -4.6803 -4.6803 -4.6803 1.9816 1.9816 1.9816 1.9816 2.5373 2.5373 2.5373 2.5373 2.6431 2.6431 2.6431 2.6431 3.3861 3.3861 3.3861 3.3861 4.2163 4.2163 4.2163 4.2163 4.6536 4.6536 4.6536 4.6536 11.5661 11.5661 11.5661 11.5661 11.7841 11.7841 11.7841 11.7841 13.0273 13.0273 k = 0.5000 0.5000 0.1652 ( 6056 PWs) bands (ev): -20.0314 -20.0314 -20.0314 -20.0314 -16.2123 -16.2123 -16.2123 -16.2123 -7.6338 -7.6338 -7.6338 -7.6338 -6.7051 -6.7051 -6.7051 -6.7051 -4.8511 -4.8511 -4.8511 -4.8511 -4.6780 -4.6780 -4.6780 -4.6780 1.9691 1.9691 1.9691 1.9691 2.5373 2.5373 2.5373 2.5373 2.6433 2.6433 2.6433 2.6433 3.3857 3.3857 3.3857 3.3857 4.2189 4.2189 4.2189 4.2189 4.6546 4.6546 4.6546 4.6546 11.6259 11.6259 11.6259 11.6259 11.7910 11.7910 11.7910 11.7910 13.0237 13.0237 k = 0.5000 0.5000 0.1790 ( 6076 PWs) bands (ev): -20.0314 -20.0314 -20.0314 -20.0314 -16.2124 -16.2124 -16.2124 -16.2124 -7.6362 -7.6362 -7.6362 -7.6362 -6.7032 -6.7032 -6.7032 -6.7032 -4.8503 -4.8503 -4.8503 -4.8503 -4.6758 -4.6758 -4.6758 -4.6758 1.9569 1.9569 1.9569 1.9569 2.5373 2.5373 2.5373 2.5373 2.6434 2.6434 2.6434 2.6434 3.3852 3.3852 3.3852 3.3852 4.2213 4.2213 4.2213 4.2213 4.6555 4.6555 4.6555 4.6555 11.6858 11.6858 11.6858 11.6858 11.7988 11.7988 11.7988 11.7988 13.0198 13.0198 k = 0.5000 0.5000 0.1928 ( 6076 PWs) bands (ev): -20.0314 -20.0314 -20.0314 -20.0314 -16.2124 -16.2124 -16.2124 -16.2124 -7.6385 -7.6385 -7.6385 -7.6385 -6.7013 -6.7013 -6.7013 -6.7013 -4.8495 -4.8495 -4.8495 -4.8495 -4.6736 -4.6736 -4.6736 -4.6736 1.9453 1.9453 1.9453 1.9453 2.5373 2.5373 2.5373 2.5373 2.6436 2.6436 2.6436 2.6436 3.3848 3.3848 3.3848 3.3848 4.2236 4.2236 4.2236 4.2236 4.6563 4.6563 4.6563 4.6563 11.7425 11.7425 11.7425 11.7425 11.8093 11.8093 11.8093 11.8093 13.0156 13.0156 k = 0.5000 0.5000 0.2065 ( 6076 PWs) bands (ev): -20.0314 -20.0314 -20.0314 -20.0314 -16.2124 -16.2124 -16.2124 -16.2124 -7.6406 -7.6406 -7.6406 -7.6406 -6.6996 -6.6996 -6.6996 -6.6996 -4.8487 -4.8487 -4.8487 -4.8487 -4.6716 -4.6716 -4.6716 -4.6716 1.9344 1.9344 1.9344 1.9344 2.5373 2.5373 2.5373 2.5373 2.6437 2.6437 2.6437 2.6437 3.3844 3.3844 3.3844 3.3844 4.2258 4.2258 4.2258 4.2258 4.6571 4.6571 4.6571 4.6571 11.7853 11.7853 11.7853 11.7853 11.8318 11.8318 11.8318 11.8318 13.0113 13.0113 k = 0.5000 0.5000 0.2203 ( 6068 PWs) bands (ev): -20.0314 -20.0314 -20.0314 -20.0314 -16.2123 -16.2123 -16.2123 -16.2123 -7.6426 -7.6426 -7.6426 -7.6426 -6.6981 -6.6981 -6.6981 -6.6981 -4.8481 -4.8481 -4.8481 -4.8481 -4.6697 -4.6697 -4.6697 -4.6697 1.9245 1.9245 1.9245 1.9245 2.5373 2.5373 2.5373 2.5373 2.6439 2.6439 2.6439 2.6439 3.3839 3.3839 3.3839 3.3839 4.2277 4.2277 4.2277 4.2277 4.6578 4.6578 4.6578 4.6578 11.8030 11.8030 11.8030 11.8030 11.8758 11.8758 11.8758 11.8758 13.0070 13.0070 k = 0.5000 0.5000 0.2341 ( 6068 PWs) bands (ev): -20.0314 -20.0314 -20.0314 -20.0314 -16.2123 -16.2123 -16.2123 -16.2123 -7.6443 -7.6443 -7.6443 -7.6443 -6.6967 -6.6967 -6.6967 -6.6967 -4.8475 -4.8475 -4.8475 -4.8475 -4.6681 -4.6681 -4.6681 -4.6681 1.9159 1.9159 1.9159 1.9159 2.5374 2.5374 2.5374 2.5374 2.6440 2.6440 2.6440 2.6440 3.3836 3.3836 3.3836 3.3836 4.2293 4.2293 4.2293 4.2293 4.6585 4.6585 4.6585 4.6585 11.8113 11.8113 11.8113 11.8113 11.9239 11.9239 11.9239 11.9239 13.0027 13.0027 k = 0.5000 0.5000 0.2478 ( 6092 PWs) bands (ev): -20.0314 -20.0314 -20.0314 -20.0314 -16.2124 -16.2124 -16.2124 -16.2124 -7.6457 -7.6457 -7.6457 -7.6457 -6.6956 -6.6956 -6.6956 -6.6956 -4.8470 -4.8470 -4.8470 -4.8470 -4.6667 -4.6667 -4.6667 -4.6667 1.9085 1.9085 1.9085 1.9085 2.5374 2.5374 2.5374 2.5374 2.6441 2.6441 2.6441 2.6441 3.3833 3.3833 3.3833 3.3833 4.2307 4.2307 4.2307 4.2307 4.6590 4.6590 4.6590 4.6590 11.8170 11.8170 11.8170 11.8170 11.9677 11.9677 11.9677 11.9677 12.9987 12.9987 k = 0.5000 0.5000 0.2616 ( 6092 PWs) bands (ev): -20.0314 -20.0314 -20.0314 -20.0314 -16.2124 -16.2124 -16.2124 -16.2124 -7.6468 -7.6468 -7.6468 -7.6468 -6.6947 -6.6947 -6.6947 -6.6947 -4.8466 -4.8466 -4.8466 -4.8466 -4.6655 -4.6655 -4.6655 -4.6655 1.9027 1.9027 1.9027 1.9027 2.5374 2.5374 2.5374 2.5374 2.6442 2.6442 2.6442 2.6442 3.3830 3.3830 3.3830 3.3830 4.2319 4.2319 4.2319 4.2319 4.6595 4.6595 4.6595 4.6595 11.8212 11.8212 11.8212 11.8212 12.0041 12.0041 12.0041 12.0041 12.9951 12.9951 k = 0.5000 0.5000 0.2754 ( 6092 PWs) bands (ev): -20.0314 -20.0314 -20.0314 -20.0314 -16.2124 -16.2124 -16.2124 -16.2124 -7.6477 -7.6477 -7.6477 -7.6477 -6.6940 -6.6940 -6.6940 -6.6940 -4.8463 -4.8463 -4.8463 -4.8463 -4.6647 -4.6647 -4.6647 -4.6647 1.8984 1.8984 1.8984 1.8984 2.5374 2.5374 2.5374 2.5374 2.6443 2.6443 2.6443 2.6443 3.3828 3.3828 3.3828 3.3828 4.2327 4.2327 4.2327 4.2327 4.6598 4.6598 4.6598 4.6598 11.8241 11.8241 11.8241 11.8241 12.0315 12.0315 12.0315 12.0315 12.9924 12.9924 k = 0.5000 0.5000 0.2891 ( 6108 PWs) bands (ev): -20.0314 -20.0314 -20.0314 -20.0314 -16.2124 -16.2124 -16.2124 -16.2124 -7.6482 -7.6482 -7.6482 -7.6482 -6.6936 -6.6936 -6.6936 -6.6936 -4.8461 -4.8461 -4.8461 -4.8461 -4.6642 -4.6642 -4.6642 -4.6642 1.8958 1.8958 1.8958 1.8958 2.5374 2.5374 2.5374 2.5374 2.6443 2.6443 2.6443 2.6443 3.3827 3.3827 3.3827 3.3827 4.2331 4.2331 4.2331 4.2331 4.6600 4.6600 4.6600 4.6600 11.8259 11.8259 11.8259 11.8259 12.0485 12.0485 12.0485 12.0485 12.9906 12.9906 k = 0.5000 0.5000 0.3029 ( 6088 PWs) bands (ev): -20.0314 -20.0314 -20.0314 -20.0314 -16.2124 -16.2124 -16.2124 -16.2124 -7.6484 -7.6484 -7.6484 -7.6484 -6.6935 -6.6935 -6.6935 -6.6935 -4.8461 -4.8461 -4.8461 -4.8461 -4.6640 -4.6640 -4.6640 -4.6640 1.8950 1.8950 1.8950 1.8950 2.5374 2.5374 2.5374 2.5374 2.6443 2.6443 2.6443 2.6443 3.3827 3.3827 3.3827 3.3827 4.2333 4.2333 4.2333 4.2333 4.6600 4.6600 4.6600 4.6600 11.8265 11.8265 11.8265 11.8265 12.0543 12.0543 12.0543 12.0543 12.9900 12.9900 Writing output data file BaBrF.save init_run : 0.30s CPU 0.45s WALL ( 1 calls) electrons : 179.23s CPU 182.32s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 179.23s CPU 182.31s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.00s WALL ( 1 calls) newd : 0.06s CPU 0.09s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.09s WALL ( 315 calls) cegterg : 167.71s CPU 170.18s WALL ( 481 calls) Called by sum_band: Called by *egterg: h_psi : 85.66s CPU 87.60s WALL ( 7374 calls) s_psi : 4.99s CPU 4.98s WALL ( 7374 calls) g_psi : 0.27s CPU 0.34s WALL ( 6578 calls) cdiaghg : 60.76s CPU 61.12s WALL ( 6893 calls) cegterg:over : 8.90s CPU 8.86s WALL ( 6578 calls) cegterg:upda : 8.14s CPU 8.44s WALL ( 6578 calls) cegterg:last : 4.06s CPU 4.13s WALL ( 1111 calls) cdiaghg:chol : 3.58s CPU 3.50s WALL ( 6893 calls) cdiaghg:inve : 2.38s CPU 2.44s WALL ( 6893 calls) cdiaghg:para : 3.90s CPU 3.86s WALL ( 13786 calls) Called by h_psi: h_psi:vloc : 73.96s CPU 75.51s WALL ( 7374 calls) h_psi:vnl : 11.32s CPU 11.69s WALL ( 7374 calls) add_vuspsi : 5.38s CPU 5.49s WALL ( 7374 calls) General routines calbec : 5.91s CPU 6.18s WALL ( 7374 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 68.49s CPU 70.05s WALL ( 815988 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.26s CPU 0.43s WALL ( 630 calls) Parallel routines fft_scatter : 26.03s CPU 27.04s WALL ( 816011 calls) PWSCF : 3m19.98s CPU 3m33.15s WALL This run was terminated on: 13:59: 7 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=